smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1ccc(Br)cc1 ZINC000161139041 551590736 /nfs/dbraw/zinc/59/07/36/551590736.db2.gz YDCSNGIQTACKDH-UHFFFAOYSA-N 1 2 389.297 2.600 20 70 GFIDLO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000161248557 551591626 /nfs/dbraw/zinc/59/16/26/551591626.db2.gz RNFGQKCIRBIXJX-ZDUSSCGKSA-N 1 2 387.293 2.557 20 70 GFIDLO OCC[N@H+](CCOCC(F)(F)F)Cc1nc2cc(Br)ccc2[nH]1 ZINC000159642953 551568479 /nfs/dbraw/zinc/56/84/79/551568479.db2.gz PZCAICDFTZWILG-UHFFFAOYSA-N 1 2 396.207 2.699 20 70 GFIDLO OCC[N@@H+](CCOCC(F)(F)F)Cc1nc2cc(Br)ccc2[nH]1 ZINC000159642953 551568483 /nfs/dbraw/zinc/56/84/83/551568483.db2.gz PZCAICDFTZWILG-UHFFFAOYSA-N 1 2 396.207 2.699 20 70 GFIDLO OCC[N@H+](CCOCC(F)(F)F)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159642953 551568486 /nfs/dbraw/zinc/56/84/86/551568486.db2.gz PZCAICDFTZWILG-UHFFFAOYSA-N 1 2 396.207 2.699 20 70 GFIDLO OCC[N@@H+](CCOCC(F)(F)F)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159642953 551568487 /nfs/dbraw/zinc/56/84/87/551568487.db2.gz PZCAICDFTZWILG-UHFFFAOYSA-N 1 2 396.207 2.699 20 70 GFIDLO Cn1cc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c(C(F)(F)F)n1 ZINC000159808609 551571544 /nfs/dbraw/zinc/57/15/44/551571544.db2.gz ZPLLTFZKGORIQJ-NSHDSACASA-N 1 2 391.191 2.518 20 70 GFIDLO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](CCOCC2CC2)CC1 ZINC000160036613 551574841 /nfs/dbraw/zinc/57/48/41/551574841.db2.gz FGQMXLRCASNBLJ-UHFFFAOYSA-N 1 2 378.947 2.525 20 70 GFIDLO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](CCOCC2CC2)CC1 ZINC000160036613 551574843 /nfs/dbraw/zinc/57/48/43/551574843.db2.gz FGQMXLRCASNBLJ-UHFFFAOYSA-N 1 2 378.947 2.525 20 70 GFIDLO COc1ccsc1S(=O)(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000159698166 551569856 /nfs/dbraw/zinc/56/98/56/551569856.db2.gz WSRLQZYOXXVOMT-ZDUSSCGKSA-N 1 2 382.507 2.951 20 70 GFIDLO Cc1cc(Br)cc2cc(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)oc21 ZINC000160820426 551585869 /nfs/dbraw/zinc/58/58/69/551585869.db2.gz XLVFLOCSRUSMMD-NHYWBVRUSA-N 1 2 381.270 2.953 20 70 GFIDLO Cc1cc(Br)cc2cc(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)oc21 ZINC000160820426 551585871 /nfs/dbraw/zinc/58/58/71/551585871.db2.gz XLVFLOCSRUSMMD-NHYWBVRUSA-N 1 2 381.270 2.953 20 70 GFIDLO CCC[N@@H+](Cc1cc(Br)c(OC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161084256 551590342 /nfs/dbraw/zinc/59/03/42/551590342.db2.gz KDYBPHMPWJKONC-SNVBAGLBSA-N 1 2 382.345 2.918 20 70 GFIDLO CCC[N@H+](Cc1cc(Br)c(OC)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161084256 551590341 /nfs/dbraw/zinc/59/03/41/551590341.db2.gz KDYBPHMPWJKONC-SNVBAGLBSA-N 1 2 382.345 2.918 20 70 GFIDLO O=C(NCc1ccccc1Br)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159807438 551571604 /nfs/dbraw/zinc/57/16/04/551571604.db2.gz FJZIAYZXBAABSO-UHFFFAOYSA-N 1 2 389.297 2.872 20 70 GFIDLO O=C(Cc1nc(CSCC[NH+]2CCOCC2)cs1)Nc1ccccc1 ZINC000160029050 551574446 /nfs/dbraw/zinc/57/44/46/551574446.db2.gz GGEUVBYQBRQJFK-UHFFFAOYSA-N 1 2 377.535 2.890 20 70 GFIDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc32)CC1 ZINC000160823408 551585682 /nfs/dbraw/zinc/58/56/82/551585682.db2.gz GRJTZOPFWMBQIS-UHFFFAOYSA-N 1 2 382.913 2.570 20 70 GFIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159759428 551570383 /nfs/dbraw/zinc/57/03/83/551570383.db2.gz ZTMSFUDELIGLOO-LBPRGKRZSA-N 1 2 378.416 2.978 20 70 GFIDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000160690566 551584557 /nfs/dbraw/zinc/58/45/57/551584557.db2.gz HVRXGYNAEZHHRW-HJPURHCSSA-N 1 2 395.322 2.845 20 70 GFIDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000160690566 551584559 /nfs/dbraw/zinc/58/45/59/551584559.db2.gz HVRXGYNAEZHHRW-HJPURHCSSA-N 1 2 395.322 2.845 20 70 GFIDLO COC(=O)CCC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000160924242 551587419 /nfs/dbraw/zinc/58/74/19/551587419.db2.gz OIGVRAYWXMZASV-MRXNPFEDSA-N 1 2 383.286 2.641 20 70 GFIDLO Brc1ccc2nc(C[NH+]3CCC(Cn4ccnn4)CC3)[nH]c2c1 ZINC000161010336 551588839 /nfs/dbraw/zinc/58/88/39/551588839.db2.gz RZKDHPZVBHRQIP-UHFFFAOYSA-N 1 2 375.274 2.829 20 70 GFIDLO COc1cc(Br)c(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000161180179 551591034 /nfs/dbraw/zinc/59/10/34/551591034.db2.gz NIKDSNDHNBIYCP-NSHDSACASA-N 1 2 394.269 2.542 20 70 GFIDLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000161351261 551593438 /nfs/dbraw/zinc/59/34/38/551593438.db2.gz FDFHSXQQLDGTTI-IUODEOHRSA-N 1 2 386.876 2.565 20 70 GFIDLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000161351261 551593440 /nfs/dbraw/zinc/59/34/40/551593440.db2.gz FDFHSXQQLDGTTI-IUODEOHRSA-N 1 2 386.876 2.565 20 70 GFIDLO CCC([NH3+])(CC)CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000160491632 551581318 /nfs/dbraw/zinc/58/13/18/551581318.db2.gz POAKSLJFWDZDNX-UHFFFAOYSA-N 1 2 381.523 2.796 20 70 GFIDLO O=C1NCCCN1C1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000160935502 551587812 /nfs/dbraw/zinc/58/78/12/551587812.db2.gz ZZHWKYVKHUIJLA-UHFFFAOYSA-N 1 2 392.301 2.705 20 70 GFIDLO O=C1NCCCN1C1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000160935502 551587816 /nfs/dbraw/zinc/58/78/16/551587816.db2.gz ZZHWKYVKHUIJLA-UHFFFAOYSA-N 1 2 392.301 2.705 20 70 GFIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000161342782 551593242 /nfs/dbraw/zinc/59/32/42/551593242.db2.gz WESNGUPXGPQMON-SNVBAGLBSA-N 1 2 376.682 2.945 20 70 GFIDLO Cc1cc[nH+]c(N2CCN([C@H](C(N)=O)c3cccc(Br)c3)CC2)c1 ZINC000161411579 551594380 /nfs/dbraw/zinc/59/43/80/551594380.db2.gz NUJAAXKNIVQMCT-KRWDZBQOSA-N 1 2 389.297 2.501 20 70 GFIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000159980650 551573895 /nfs/dbraw/zinc/57/38/95/551573895.db2.gz AFVKTPHCIHTISB-QMMMGPOBSA-N 1 2 384.370 2.775 20 70 GFIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000161072883 551590169 /nfs/dbraw/zinc/59/01/69/551590169.db2.gz KDFPLQQZXBNJGV-ZBFHGGJFSA-N 1 2 390.281 2.808 20 70 GFIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000159980786 551573470 /nfs/dbraw/zinc/57/34/70/551573470.db2.gz AFVKTPHCIHTISB-MRVPVSSYSA-N 1 2 384.370 2.775 20 70 GFIDLO CS(=O)(=O)c1csc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000160169740 551576399 /nfs/dbraw/zinc/57/63/99/551576399.db2.gz VFJCAPDWOHCYFR-OAHLLOKOSA-N 1 2 378.519 2.546 20 70 GFIDLO CS(=O)(=O)c1csc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000160169740 551576400 /nfs/dbraw/zinc/57/64/00/551576400.db2.gz VFJCAPDWOHCYFR-OAHLLOKOSA-N 1 2 378.519 2.546 20 70 GFIDLO O=C(N[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000160388361 551579778 /nfs/dbraw/zinc/57/97/78/551579778.db2.gz MQMLXXSCFQJWSG-SMDDNHRTSA-N 1 2 376.254 2.848 20 70 GFIDLO Cc1cc[nH+]c(N2CCN([C@@H](C(N)=O)c3cccc(Br)c3)CC2)c1 ZINC000161411685 551594478 /nfs/dbraw/zinc/59/44/78/551594478.db2.gz NUJAAXKNIVQMCT-QGZVFWFLSA-N 1 2 389.297 2.501 20 70 GFIDLO Brc1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3CN3CCOCC3)nc2c1 ZINC000159832121 551572204 /nfs/dbraw/zinc/57/22/04/551572204.db2.gz OILKPNLDZPMLBF-CQSZACIVSA-N 1 2 379.302 2.622 20 70 GFIDLO Brc1ccc2[nH]c(C[N@H+]3CCC[C@@H]3CN3CCOCC3)nc2c1 ZINC000159832121 551572206 /nfs/dbraw/zinc/57/22/06/551572206.db2.gz OILKPNLDZPMLBF-CQSZACIVSA-N 1 2 379.302 2.622 20 70 GFIDLO Brc1ccc2[nH]c(CN3CCC[C@@H]3C[NH+]3CCOCC3)nc2c1 ZINC000159832121 551572208 /nfs/dbraw/zinc/57/22/08/551572208.db2.gz OILKPNLDZPMLBF-CQSZACIVSA-N 1 2 379.302 2.622 20 70 GFIDLO O=C(NCCCn1cc[nH+]c1)c1cc(I)c(F)cc1F ZINC000160940569 551588172 /nfs/dbraw/zinc/58/81/72/551588172.db2.gz TVFJGSDEJDEUAY-UHFFFAOYSA-N 1 2 391.159 2.586 20 70 GFIDLO CC(C)S(=O)(=O)CCC[N@@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000160984452 551588573 /nfs/dbraw/zinc/58/85/73/551588573.db2.gz MKZJYPIWLZNTLB-UHFFFAOYSA-N 1 2 386.945 2.701 20 70 GFIDLO CC(C)S(=O)(=O)CCC[N@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000160984452 551588575 /nfs/dbraw/zinc/58/85/75/551588575.db2.gz MKZJYPIWLZNTLB-UHFFFAOYSA-N 1 2 386.945 2.701 20 70 GFIDLO Cn1cc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c(C(F)(F)F)n1 ZINC000159808704 551571637 /nfs/dbraw/zinc/57/16/37/551571637.db2.gz ZPLLTFZKGORIQJ-LLVKDONJSA-N 1 2 391.191 2.518 20 70 GFIDLO CN(Cc1cc(Br)cn1C)C(=O)NCCCNc1cccc[nH+]1 ZINC000160681903 551584506 /nfs/dbraw/zinc/58/45/06/551584506.db2.gz XSCBEBRGOCMDMR-UHFFFAOYSA-N 1 2 380.290 2.826 20 70 GFIDLO COc1ccsc1S(=O)(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000159698317 551569698 /nfs/dbraw/zinc/56/96/98/551569698.db2.gz WSRLQZYOXXVOMT-CYBMUJFWSA-N 1 2 382.507 2.951 20 70 GFIDLO COc1cc(Br)c(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000161180064 551591293 /nfs/dbraw/zinc/59/12/93/551591293.db2.gz NIKDSNDHNBIYCP-LLVKDONJSA-N 1 2 394.269 2.542 20 70 GFIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000161342704 551593224 /nfs/dbraw/zinc/59/32/24/551593224.db2.gz WESNGUPXGPQMON-JTQLQIEISA-N 1 2 376.682 2.945 20 70 GFIDLO O=C(CSCC[NH+]1CCOCC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000159763144 551570560 /nfs/dbraw/zinc/57/05/60/551570560.db2.gz QTYVZNPDPSOJSU-UHFFFAOYSA-N 1 2 380.844 2.945 20 70 GFIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160397498 551580040 /nfs/dbraw/zinc/58/00/40/551580040.db2.gz USFZGQQYOJTMQY-UHFFFAOYSA-N 1 2 377.491 2.630 20 70 GFIDLO Cc1c([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)nnn1-c1cccc(Cl)c1 ZINC000160521463 551581471 /nfs/dbraw/zinc/58/14/71/551581471.db2.gz DGJCTZUABGCHKX-SECBINFHSA-N 1 2 375.782 2.558 20 70 GFIDLO Brc1ccc2nc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)[nH]c2c1 ZINC000160986536 551588453 /nfs/dbraw/zinc/58/84/53/551588453.db2.gz RXFMRKXRRKEVFP-LBPRGKRZSA-N 1 2 375.274 2.829 20 70 GFIDLO Brc1ccc2nc(C[N@H+]3CCC[C@H](Cn4ccnn4)C3)[nH]c2c1 ZINC000160986536 551588454 /nfs/dbraw/zinc/58/84/54/551588454.db2.gz RXFMRKXRRKEVFP-LBPRGKRZSA-N 1 2 375.274 2.829 20 70 GFIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1ccccc1Br ZINC000161153505 551591302 /nfs/dbraw/zinc/59/13/02/551591302.db2.gz HPEMHOSBWXOVJZ-UHFFFAOYSA-N 1 2 389.297 2.600 20 70 GFIDLO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000161361200 551593656 /nfs/dbraw/zinc/59/36/56/551593656.db2.gz CIWPYRKESZUKLP-UHFFFAOYSA-N 1 2 388.269 2.960 20 70 GFIDLO O=S(=O)(F)c1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164995501 722208250 /nfs/dbraw/zinc/20/82/50/722208250.db2.gz NVAGEPJIKPIMIV-SFHVURJKSA-N 1 2 394.447 2.519 20 70 GFIDLO O=S(=O)(F)c1ccc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164995501 722208255 /nfs/dbraw/zinc/20/82/55/722208255.db2.gz NVAGEPJIKPIMIV-SFHVURJKSA-N 1 2 394.447 2.519 20 70 GFIDLO Brc1ccc(Cc2nc(CSCC[NH+]3CCOCC3)no2)cc1 ZINC000159940166 551573036 /nfs/dbraw/zinc/57/30/36/551573036.db2.gz JNSBERCALLICIA-UHFFFAOYSA-N 1 2 398.326 2.988 20 70 GFIDLO CS(=O)(=O)c1ccc(-c2nc(CSCC[NH+]3CCOCC3)cs2)cc1 ZINC000160032066 551574275 /nfs/dbraw/zinc/57/42/75/551574275.db2.gz KQROKHLSTHNPJP-UHFFFAOYSA-N 1 2 398.575 2.779 20 70 GFIDLO CS(=O)(=O)c1csc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000160169862 551576274 /nfs/dbraw/zinc/57/62/74/551576274.db2.gz VFJCAPDWOHCYFR-HNNXBMFYSA-N 1 2 378.519 2.546 20 70 GFIDLO CS(=O)(=O)c1csc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000160169862 551576276 /nfs/dbraw/zinc/57/62/76/551576276.db2.gz VFJCAPDWOHCYFR-HNNXBMFYSA-N 1 2 378.519 2.546 20 70 GFIDLO CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161377495 551593735 /nfs/dbraw/zinc/59/37/35/551593735.db2.gz JCVWOAZPZLIWAB-AWEZNQCLSA-N 1 2 384.851 2.995 20 70 GFIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000159448402 551565455 /nfs/dbraw/zinc/56/54/55/551565455.db2.gz CHLWLXWWSGGNSL-UHFFFAOYSA-N 1 2 395.352 2.972 20 70 GFIDLO O=S(=O)(c1cccc(Cl)c1Cl)N1CC[NH+](CC2=CCCOC2)CC1 ZINC000159530938 551566507 /nfs/dbraw/zinc/56/65/07/551566507.db2.gz DWJSPACBFMKQCN-UHFFFAOYSA-N 1 2 391.320 2.646 20 70 GFIDLO C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000160109404 551575313 /nfs/dbraw/zinc/57/53/13/551575313.db2.gz NSMJVBQEINIMRC-LBPRGKRZSA-N 1 2 390.914 2.504 20 70 GFIDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)c(Br)n1 ZINC000160268764 551578276 /nfs/dbraw/zinc/57/82/76/551578276.db2.gz WIFSCWNRUVYZCD-UHFFFAOYSA-N 1 2 375.270 2.506 20 70 GFIDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2csc3ccc(Cl)cc32)CC1 ZINC000160825970 551585744 /nfs/dbraw/zinc/58/57/44/551585744.db2.gz OCLMLSFSXQWKIA-UHFFFAOYSA-N 1 2 388.942 2.632 20 70 GFIDLO Cc1cccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1Br ZINC000160869304 551586218 /nfs/dbraw/zinc/58/62/18/551586218.db2.gz VIUHIMQZTGVKQI-KRWDZBQOSA-N 1 2 399.354 2.695 20 70 GFIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000161072990 551590268 /nfs/dbraw/zinc/59/02/68/551590268.db2.gz KDFPLQQZXBNJGV-GDBMZVCRSA-N 1 2 390.281 2.808 20 70 GFIDLO O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161380937 551594135 /nfs/dbraw/zinc/59/41/35/551594135.db2.gz OKNWSTTXHXUORG-HIFRSBDPSA-N 1 2 389.297 2.603 20 70 GFIDLO CN(CCCn1cc[nH+]c1)C(=O)Cc1ccccc1I ZINC000159411670 551564581 /nfs/dbraw/zinc/56/45/81/551564581.db2.gz ZPAAYJUVTBQZJQ-UHFFFAOYSA-N 1 2 383.233 2.579 20 70 GFIDLO CC(C)[NH+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000159815368 551571331 /nfs/dbraw/zinc/57/13/31/551571331.db2.gz LXILSLAFWFTZTC-UHFFFAOYSA-N 1 2 399.713 2.956 20 70 GFIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000160260446 551578202 /nfs/dbraw/zinc/57/82/02/551578202.db2.gz XONVMFUERMPHBM-UHFFFAOYSA-N 1 2 392.297 2.941 20 70 GFIDLO Cc1ccc([C@@H](CNC(=O)c2csc(S(C)(=O)=O)c2)[NH+]2CCCC2)o1 ZINC000160748877 551584778 /nfs/dbraw/zinc/58/47/78/551584778.db2.gz BCQSZTLYYSQCCA-CQSZACIVSA-N 1 2 382.507 2.620 20 70 GFIDLO COC(=O)C[C@H]1CSCC[N@@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000161351391 551593212 /nfs/dbraw/zinc/59/32/12/551593212.db2.gz FDFHSXQQLDGTTI-SWLSCSKDSA-N 1 2 386.876 2.565 20 70 GFIDLO COC(=O)C[C@H]1CSCC[N@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000161351391 551593215 /nfs/dbraw/zinc/59/32/15/551593215.db2.gz FDFHSXQQLDGTTI-SWLSCSKDSA-N 1 2 386.876 2.565 20 70 GFIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000159463988 551565079 /nfs/dbraw/zinc/56/50/79/551565079.db2.gz IDDUCVBUABMLOR-UHFFFAOYSA-N 1 2 395.352 2.972 20 70 GFIDLO C[N@@H+](Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C[C@H]1CCC[C@@H]1O ZINC000159684633 551569174 /nfs/dbraw/zinc/56/91/74/551569174.db2.gz LNONBYRXOFILBE-PBHICJAKSA-N 1 2 380.535 2.806 20 70 GFIDLO C[N@H+](Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C[C@H]1CCC[C@@H]1O ZINC000159684633 551569175 /nfs/dbraw/zinc/56/91/75/551569175.db2.gz LNONBYRXOFILBE-PBHICJAKSA-N 1 2 380.535 2.806 20 70 GFIDLO Cc1ccc([C@H](CNC(=O)c2csc(S(C)(=O)=O)c2)[NH+]2CCCC2)o1 ZINC000160748974 551584731 /nfs/dbraw/zinc/58/47/31/551584731.db2.gz BCQSZTLYYSQCCA-AWEZNQCLSA-N 1 2 382.507 2.620 20 70 GFIDLO COc1cc(OC)c(NC(=O)N(C)Cc2[nH+]ccn2C)cc1Br ZINC000161107650 551590218 /nfs/dbraw/zinc/59/02/18/551590218.db2.gz GUDOJYRQEDYFNC-UHFFFAOYSA-N 1 2 383.246 2.864 20 70 GFIDLO C[N@@H+](Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159684478 551569256 /nfs/dbraw/zinc/56/92/56/551569256.db2.gz LNONBYRXOFILBE-YOEHRIQHSA-N 1 2 380.535 2.806 20 70 GFIDLO C[N@H+](Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159684478 551569257 /nfs/dbraw/zinc/56/92/57/551569257.db2.gz LNONBYRXOFILBE-YOEHRIQHSA-N 1 2 380.535 2.806 20 70 GFIDLO C[C@H](CNC(=O)Nc1ccc(Br)c(Cl)c1)[NH+]1CCOCC1 ZINC000161364868 551593192 /nfs/dbraw/zinc/59/31/92/551593192.db2.gz CUZRNQLDVLTKBX-SNVBAGLBSA-N 1 2 376.682 2.945 20 70 GFIDLO CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161377631 551594089 /nfs/dbraw/zinc/59/40/89/551594089.db2.gz JCVWOAZPZLIWAB-CQSZACIVSA-N 1 2 384.851 2.995 20 70 GFIDLO COC(=O)CC[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@@H]1CCCO1 ZINC000159699333 551569630 /nfs/dbraw/zinc/56/96/30/551569630.db2.gz CUZAXKXKQQIFLB-ZDUSSCGKSA-N 1 2 396.285 2.870 20 70 GFIDLO COC(=O)CC[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@@H]1CCCO1 ZINC000159699333 551569633 /nfs/dbraw/zinc/56/96/33/551569633.db2.gz CUZAXKXKQQIFLB-ZDUSSCGKSA-N 1 2 396.285 2.870 20 70 GFIDLO COC(=O)CC[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)C[C@@H]1CCCO1 ZINC000159699333 551569634 /nfs/dbraw/zinc/56/96/34/551569634.db2.gz CUZAXKXKQQIFLB-ZDUSSCGKSA-N 1 2 396.285 2.870 20 70 GFIDLO COC(=O)CC[N@H+](Cc1nc2ccc(Br)cc2[nH]1)C[C@@H]1CCCO1 ZINC000159699333 551569635 /nfs/dbraw/zinc/56/96/35/551569635.db2.gz CUZAXKXKQQIFLB-ZDUSSCGKSA-N 1 2 396.285 2.870 20 70 GFIDLO CC[N@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160558229 551582386 /nfs/dbraw/zinc/58/23/86/551582386.db2.gz FJTFRIWWXJRPDK-CYBMUJFWSA-N 1 2 381.416 2.645 20 70 GFIDLO CC[N@@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160558229 551582388 /nfs/dbraw/zinc/58/23/88/551582388.db2.gz FJTFRIWWXJRPDK-CYBMUJFWSA-N 1 2 381.416 2.645 20 70 GFIDLO NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000160904728 551587544 /nfs/dbraw/zinc/58/75/44/551587544.db2.gz VCBSLLRGQVHSMO-IRXDYDNUSA-N 1 2 397.313 2.636 20 70 GFIDLO Cc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Br)n1 ZINC000159693767 551568996 /nfs/dbraw/zinc/56/89/96/551568996.db2.gz HWDOIROWXPHBIF-CYBMUJFWSA-N 1 2 377.286 2.981 20 70 GFIDLO CN(Cc1cc(Br)cn1C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000160735173 551584946 /nfs/dbraw/zinc/58/49/46/551584946.db2.gz QNXBRBDWSXZJAS-UHFFFAOYSA-N 1 2 394.317 2.705 20 70 GFIDLO CS(=O)(=O)CCCC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000161227497 551591501 /nfs/dbraw/zinc/59/15/01/551591501.db2.gz LBMMVKPDFPAWNK-UHFFFAOYSA-N 1 2 378.460 2.648 20 70 GFIDLO CCC[N@H+](CCCCS(C)(=O)=O)CC(=O)Nc1ccc(F)c(F)c1F ZINC000161155967 551591249 /nfs/dbraw/zinc/59/12/49/551591249.db2.gz JKERBJFYJPDMSE-UHFFFAOYSA-N 1 2 380.432 2.579 20 70 GFIDLO CCC[N@@H+](CCCCS(C)(=O)=O)CC(=O)Nc1ccc(F)c(F)c1F ZINC000161155967 551591250 /nfs/dbraw/zinc/59/12/50/551591250.db2.gz JKERBJFYJPDMSE-UHFFFAOYSA-N 1 2 380.432 2.579 20 70 GFIDLO O=S(=O)(F)c1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164995498 722208098 /nfs/dbraw/zinc/20/80/98/722208098.db2.gz NVAGEPJIKPIMIV-GOSISDBHSA-N 1 2 394.447 2.519 20 70 GFIDLO O=S(=O)(F)c1ccc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164995498 722208100 /nfs/dbraw/zinc/20/81/00/722208100.db2.gz NVAGEPJIKPIMIV-GOSISDBHSA-N 1 2 394.447 2.519 20 70 GFIDLO C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000160109538 551575275 /nfs/dbraw/zinc/57/52/75/551575275.db2.gz NSMJVBQEINIMRC-GFCCVEGCSA-N 1 2 390.914 2.504 20 70 GFIDLO NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000160904867 551587453 /nfs/dbraw/zinc/58/74/53/551587453.db2.gz VCBSLLRGQVHSMO-DLBZAZTESA-N 1 2 397.313 2.636 20 70 GFIDLO CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161489381 551595008 /nfs/dbraw/zinc/59/50/08/551595008.db2.gz XXXOSOKHRITVQF-ZDUSSCGKSA-N 1 2 378.357 2.669 20 70 GFIDLO Cc1noc(C)c1CCS(=O)(=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000159631113 551568604 /nfs/dbraw/zinc/56/86/04/551568604.db2.gz QCHXFRCMBMXAFD-UHFFFAOYSA-N 1 2 398.282 2.859 20 70 GFIDLO CC(C)OCC[NH+]1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000159937364 551573061 /nfs/dbraw/zinc/57/30/61/551573061.db2.gz RJTCEPFTDONVKA-UHFFFAOYSA-N 1 2 381.318 2.868 20 70 GFIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000160019047 551574383 /nfs/dbraw/zinc/57/43/83/551574383.db2.gz FGEVKJKUCNIMJG-OAHLLOKOSA-N 1 2 386.945 2.631 20 70 GFIDLO CN(C)c1[nH+]cccc1CNC(=O)NCc1ccc(O)c(Br)c1 ZINC000160248087 551577702 /nfs/dbraw/zinc/57/77/02/551577702.db2.gz MBOWCMYJKQJZLF-UHFFFAOYSA-N 1 2 379.258 2.615 20 70 GFIDLO Cc1cc(Br)cc2cc(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)oc21 ZINC000160820801 551585960 /nfs/dbraw/zinc/58/59/60/551585960.db2.gz XLVFLOCSRUSMMD-IAQYHMDHSA-N 1 2 381.270 2.953 20 70 GFIDLO Cc1cc(Br)cc2cc(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)oc21 ZINC000160820801 551585962 /nfs/dbraw/zinc/58/59/62/551585962.db2.gz XLVFLOCSRUSMMD-IAQYHMDHSA-N 1 2 381.270 2.953 20 70 GFIDLO NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000160905097 551587510 /nfs/dbraw/zinc/58/75/10/551587510.db2.gz VCBSLLRGQVHSMO-IAGOWNOFSA-N 1 2 397.313 2.636 20 70 GFIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000161073264 551590318 /nfs/dbraw/zinc/59/03/18/551590318.db2.gz KDFPLQQZXBNJGV-GOEBONIOSA-N 1 2 390.281 2.808 20 70 GFIDLO Cc1ccc(NC(=O)c2nnc(CSCC[NH+]3CCOCC3)s2)cc1 ZINC000159878326 551572408 /nfs/dbraw/zinc/57/24/08/551572408.db2.gz PRHKKBRQFSDSIB-UHFFFAOYSA-N 1 2 378.523 2.664 20 70 GFIDLO Cc1c([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)nnn1-c1cccc(Cl)c1 ZINC000160521598 551581729 /nfs/dbraw/zinc/58/17/29/551581729.db2.gz DGJCTZUABGCHKX-VIFPVBQESA-N 1 2 375.782 2.558 20 70 GFIDLO NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000160905001 551587631 /nfs/dbraw/zinc/58/76/31/551587631.db2.gz VCBSLLRGQVHSMO-SJORKVTESA-N 1 2 397.313 2.636 20 70 GFIDLO CSC[C@H](CCO)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000161470346 551595165 /nfs/dbraw/zinc/59/51/65/551595165.db2.gz WHFWNAJXZNFQIH-RCBQFDQVSA-N 1 2 389.924 2.638 20 70 GFIDLO CSC[C@H](CCO)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000161470346 551595168 /nfs/dbraw/zinc/59/51/68/551595168.db2.gz WHFWNAJXZNFQIH-RCBQFDQVSA-N 1 2 389.924 2.638 20 70 GFIDLO COc1ccc(Br)cc1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159787438 551571102 /nfs/dbraw/zinc/57/11/02/551571102.db2.gz IPVZTCBRSCIHSF-UHFFFAOYSA-N 1 2 390.281 2.811 20 70 GFIDLO Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c(Br)n1 ZINC000160512914 551581743 /nfs/dbraw/zinc/58/17/43/551581743.db2.gz YCSSTHXNJWGUBC-UHFFFAOYSA-N 1 2 391.269 2.945 20 70 GFIDLO C[C@@H](CNS(=O)(=O)Cc1c(F)cccc1F)[N@@H+]1CCc2sccc2C1 ZINC000160515574 551581820 /nfs/dbraw/zinc/58/18/20/551581820.db2.gz WMYWXNNOTLPHDX-LBPRGKRZSA-N 1 2 386.489 2.893 20 70 GFIDLO C[C@@H](CNS(=O)(=O)Cc1c(F)cccc1F)[N@H+]1CCc2sccc2C1 ZINC000160515574 551581823 /nfs/dbraw/zinc/58/18/23/551581823.db2.gz WMYWXNNOTLPHDX-LBPRGKRZSA-N 1 2 386.489 2.893 20 70 GFIDLO COc1cc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc(Br)c1OC ZINC000161086184 551590410 /nfs/dbraw/zinc/59/04/10/551590410.db2.gz PDSZOBFPXZJORH-LBPRGKRZSA-N 1 2 394.269 2.542 20 70 GFIDLO CCNC(=O)N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000161298743 551592576 /nfs/dbraw/zinc/59/25/76/551592576.db2.gz ZQZLZTVVGLANCP-UHFFFAOYSA-N 1 2 377.286 2.844 20 70 GFIDLO O=C(NCc1cccc(Br)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159805354 551570781 /nfs/dbraw/zinc/57/07/81/551570781.db2.gz PKJFQONHZHIYTK-UHFFFAOYSA-N 1 2 389.297 2.872 20 70 GFIDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(I)ccc1Cl ZINC000159812435 551571469 /nfs/dbraw/zinc/57/14/69/551571469.db2.gz SBCSRGYWHAOYFT-UHFFFAOYSA-N 1 2 389.624 2.950 20 70 GFIDLO O=C(CSCC[NH+]1CCOCC1)NCCc1cccc(Cl)c1Cl ZINC000160027271 551574084 /nfs/dbraw/zinc/57/40/84/551574084.db2.gz NFVHBWIZBVLSAA-UHFFFAOYSA-N 1 2 377.337 2.718 20 70 GFIDLO CS(=O)(=O)c1cc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cs1 ZINC000160098457 551575335 /nfs/dbraw/zinc/57/53/35/551575335.db2.gz GCUMSDUWIYSBSS-UHFFFAOYSA-N 1 2 396.559 2.953 20 70 GFIDLO CN(C)c1[nH+]cccc1CNC(=O)N(C)Cc1cc(Br)cn1C ZINC000160252272 551577781 /nfs/dbraw/zinc/57/77/81/551577781.db2.gz QZPBOMWTJDSNOB-UHFFFAOYSA-N 1 2 380.290 2.590 20 70 GFIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000161073129 551590113 /nfs/dbraw/zinc/59/01/13/551590113.db2.gz KDFPLQQZXBNJGV-HOCLYGCPSA-N 1 2 390.281 2.808 20 70 GFIDLO NS(=O)(=O)CC1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000161192341 551591282 /nfs/dbraw/zinc/59/12/82/551591282.db2.gz NMQZTQMESJVEAX-UHFFFAOYSA-N 1 2 387.477 2.589 20 70 GFIDLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)NCCc1ccc(Cl)cc1 ZINC000161243206 551591411 /nfs/dbraw/zinc/59/14/11/551591411.db2.gz FHLHKCIAYOHAIC-INIZCTEOSA-N 1 2 378.822 2.634 20 70 GFIDLO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000161248659 551591518 /nfs/dbraw/zinc/59/15/18/551591518.db2.gz RNFGQKCIRBIXJX-CYBMUJFWSA-N 1 2 387.293 2.557 20 70 GFIDLO CN(Cc1cc(Br)cn1C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000159760714 551570150 /nfs/dbraw/zinc/57/01/50/551570150.db2.gz MQJXSVCVDCZTLA-UHFFFAOYSA-N 1 2 390.285 2.819 20 70 GFIDLO O=C(NCCn1cc[nH+]c1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000160225777 551577310 /nfs/dbraw/zinc/57/73/10/551577310.db2.gz QOBJNSDPBIPQEZ-UHFFFAOYSA-N 1 2 389.257 2.712 20 70 GFIDLO O=C(N[C@H]1CCOc2ccc(Br)cc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000160388498 551580052 /nfs/dbraw/zinc/58/00/52/551580052.db2.gz MQMLXXSCFQJWSG-FZMZJTMJSA-N 1 2 376.254 2.848 20 70 GFIDLO CC(C)c1nc(N(C)C)nc(N[C@@H](CO)c2cccc(Br)c2)[nH+]1 ZINC000160673881 551583939 /nfs/dbraw/zinc/58/39/39/551583939.db2.gz SDBZTFFGZKEJTR-ZDUSSCGKSA-N 1 2 380.290 2.969 20 70 GFIDLO CC(C)c1nc(N[C@@H](CO)c2cccc(Br)c2)nc(N(C)C)[nH+]1 ZINC000160673881 551583942 /nfs/dbraw/zinc/58/39/42/551583942.db2.gz SDBZTFFGZKEJTR-ZDUSSCGKSA-N 1 2 380.290 2.969 20 70 GFIDLO CC(C)S(=O)(=O)CCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000160986178 551588510 /nfs/dbraw/zinc/58/85/10/551588510.db2.gz PBCUHPSWJUVCIV-UHFFFAOYSA-N 1 2 386.945 2.701 20 70 GFIDLO CC(C)S(=O)(=O)CCC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000160986178 551588511 /nfs/dbraw/zinc/58/85/11/551588511.db2.gz PBCUHPSWJUVCIV-UHFFFAOYSA-N 1 2 386.945 2.701 20 70 GFIDLO CSC[C@H](CCO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000161470484 551594955 /nfs/dbraw/zinc/59/49/55/551594955.db2.gz WHFWNAJXZNFQIH-MAZHCROVSA-N 1 2 389.924 2.638 20 70 GFIDLO CSC[C@H](CCO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000161470484 551594956 /nfs/dbraw/zinc/59/49/56/551594956.db2.gz WHFWNAJXZNFQIH-MAZHCROVSA-N 1 2 389.924 2.638 20 70 GFIDLO Cc1cc(Br)cc2cc(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)oc21 ZINC000160820559 551585660 /nfs/dbraw/zinc/58/56/60/551585660.db2.gz XLVFLOCSRUSMMD-ABAIWWIYSA-N 1 2 381.270 2.953 20 70 GFIDLO Cc1cc(Br)cc2cc(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)oc21 ZINC000160820559 551585664 /nfs/dbraw/zinc/58/56/64/551585664.db2.gz XLVFLOCSRUSMMD-ABAIWWIYSA-N 1 2 381.270 2.953 20 70 GFIDLO O=C(NCC[NH2+]Cc1cc(Br)c(O)c(Br)c1)C1CC1 ZINC000218404723 553053214 /nfs/dbraw/zinc/05/32/14/553053214.db2.gz FMJWEZXFWRDKCU-UHFFFAOYSA-N 1 2 392.091 2.533 20 70 GFIDLO COc1c(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c(C)nn1C ZINC000160195335 551576958 /nfs/dbraw/zinc/57/69/58/551576958.db2.gz LEDNALXCBQVAMO-UHFFFAOYSA-N 1 2 381.267 2.914 20 70 GFIDLO CC[NH+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000159461738 551565157 /nfs/dbraw/zinc/56/51/57/551565157.db2.gz YTDVTNAPFOAJQV-UHFFFAOYSA-N 1 2 385.686 2.568 20 70 GFIDLO CCOc1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)cc1Br ZINC000160636676 551583342 /nfs/dbraw/zinc/58/33/42/551583342.db2.gz ZPVBSCLRENPSSO-UHFFFAOYSA-N 1 2 399.266 2.831 20 70 GFIDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000161381544 551593759 /nfs/dbraw/zinc/59/37/59/551593759.db2.gz ROBBZUIVNCBJBS-LLVKDONJSA-N 1 2 387.477 2.602 20 70 GFIDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000161381544 551593760 /nfs/dbraw/zinc/59/37/60/551593760.db2.gz ROBBZUIVNCBJBS-LLVKDONJSA-N 1 2 387.477 2.602 20 70 GFIDLO COc1ccc(Br)cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000160042575 551574831 /nfs/dbraw/zinc/57/48/31/551574831.db2.gz NNJRROWFXDKNLP-UHFFFAOYSA-N 1 2 378.270 2.963 20 70 GFIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ccc(O)c(Br)c1 ZINC000159782305 551571071 /nfs/dbraw/zinc/57/10/71/551571071.db2.gz NPTODAFLCKUBJP-UHFFFAOYSA-N 1 2 393.285 2.729 20 70 GFIDLO Cc1sc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1CS(C)(=O)=O ZINC000159845899 551572021 /nfs/dbraw/zinc/57/20/21/551572021.db2.gz HLPAXDAVVSBKDO-INIZCTEOSA-N 1 2 380.535 2.634 20 70 GFIDLO CN(CCCn1cc[nH+]c1)C(=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000160069125 551574751 /nfs/dbraw/zinc/57/47/51/551574751.db2.gz FLPSZDYJGCULBO-UHFFFAOYSA-N 1 2 388.269 2.994 20 70 GFIDLO O=C(NCC[NH+]1CCOCC1)c1cc(C(F)(F)F)ccc1Br ZINC000160748008 551584788 /nfs/dbraw/zinc/58/47/88/551584788.db2.gz QQNQTBNTVHVANT-UHFFFAOYSA-N 1 2 381.192 2.530 20 70 GFIDLO Brc1ccc2[nH]c(C[N@@H+]3CCC[C@H]3CN3CCOCC3)nc2c1 ZINC000159832265 551572190 /nfs/dbraw/zinc/57/21/90/551572190.db2.gz OILKPNLDZPMLBF-AWEZNQCLSA-N 1 2 379.302 2.622 20 70 GFIDLO Brc1ccc2[nH]c(C[N@H+]3CCC[C@H]3CN3CCOCC3)nc2c1 ZINC000159832265 551572194 /nfs/dbraw/zinc/57/21/94/551572194.db2.gz OILKPNLDZPMLBF-AWEZNQCLSA-N 1 2 379.302 2.622 20 70 GFIDLO Brc1ccc2[nH]c(CN3CCC[C@H]3C[NH+]3CCOCC3)nc2c1 ZINC000159832265 551572197 /nfs/dbraw/zinc/57/21/97/551572197.db2.gz OILKPNLDZPMLBF-AWEZNQCLSA-N 1 2 379.302 2.622 20 70 GFIDLO CC(C)S(=O)(=O)CCC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000160986602 551588616 /nfs/dbraw/zinc/58/86/16/551588616.db2.gz NOUQMBQKFGIBOK-UHFFFAOYSA-N 1 2 386.945 2.701 20 70 GFIDLO CC(C)S(=O)(=O)CCC[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000160986602 551588617 /nfs/dbraw/zinc/58/86/17/551588617.db2.gz NOUQMBQKFGIBOK-UHFFFAOYSA-N 1 2 386.945 2.701 20 70 GFIDLO CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161489495 551594876 /nfs/dbraw/zinc/59/48/76/551594876.db2.gz XXXOSOKHRITVQF-CYBMUJFWSA-N 1 2 378.357 2.669 20 70 GFIDLO COc1ccsc1S(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000159673097 551569241 /nfs/dbraw/zinc/56/92/41/551569241.db2.gz GDAXNCIKOCGZNV-UHFFFAOYSA-N 1 2 381.523 2.618 20 70 GFIDLO O=C(CSCC[NH+]1CCOCC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000160010312 551574132 /nfs/dbraw/zinc/57/41/32/551574132.db2.gz UWCREOYRHLNGFQ-UHFFFAOYSA-N 1 2 381.498 2.953 20 70 GFIDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000160834518 551585978 /nfs/dbraw/zinc/58/59/78/551585978.db2.gz CLODYPBIIPIQNL-UHFFFAOYSA-N 1 2 388.942 2.632 20 70 GFIDLO COc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1O ZINC000160940175 551587947 /nfs/dbraw/zinc/58/79/47/551587947.db2.gz XFLDVEXAYZRZQC-MRXNPFEDSA-N 1 2 379.254 2.822 20 70 GFIDLO COc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1O ZINC000160940175 551587950 /nfs/dbraw/zinc/58/79/50/551587950.db2.gz XFLDVEXAYZRZQC-MRXNPFEDSA-N 1 2 379.254 2.822 20 70 GFIDLO Cn1cc(N2CCC[C@H]([N@H+](C)Cc3cc(Br)ccc3F)C2=O)cn1 ZINC000159755958 551570313 /nfs/dbraw/zinc/57/03/13/551570313.db2.gz YIZNCIMRTYSWSA-INIZCTEOSA-N 1 2 395.276 2.949 20 70 GFIDLO Cn1cc(N2CCC[C@H]([N@@H+](C)Cc3cc(Br)ccc3F)C2=O)cn1 ZINC000159755958 551570316 /nfs/dbraw/zinc/57/03/16/551570316.db2.gz YIZNCIMRTYSWSA-INIZCTEOSA-N 1 2 395.276 2.949 20 70 GFIDLO O=c1nc(CSCC[NH+]2CCOCC2)[nH]c2scc(-c3ccco3)c21 ZINC000159792042 551571091 /nfs/dbraw/zinc/57/10/91/551571091.db2.gz FIUPJKVNQBQBTD-UHFFFAOYSA-N 1 2 377.491 2.810 20 70 GFIDLO O=C(N[C@H]1CCOc2ccc(Br)cc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160388265 551579912 /nfs/dbraw/zinc/57/99/12/551579912.db2.gz MQMLXXSCFQJWSG-RISCZKNCSA-N 1 2 376.254 2.848 20 70 GFIDLO C[C@H](CNS(=O)(=O)Cc1c(F)cccc1F)[N@@H+]1CCc2sccc2C1 ZINC000160515672 551581496 /nfs/dbraw/zinc/58/14/96/551581496.db2.gz WMYWXNNOTLPHDX-GFCCVEGCSA-N 1 2 386.489 2.893 20 70 GFIDLO C[C@H](CNS(=O)(=O)Cc1c(F)cccc1F)[N@H+]1CCc2sccc2C1 ZINC000160515672 551581500 /nfs/dbraw/zinc/58/15/00/551581500.db2.gz WMYWXNNOTLPHDX-GFCCVEGCSA-N 1 2 386.489 2.893 20 70 GFIDLO C[C@@H]1CCc2c(sc3nc(CSCC[NH+]4CCOCC4)nc(N)c23)C1 ZINC000159974303 551573747 /nfs/dbraw/zinc/57/37/47/551573747.db2.gz LVZGDSKJNVKQAL-GFCCVEGCSA-N 1 2 378.567 2.964 20 70 GFIDLO Cc1c([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)nnn1-c1ccc(Cl)cc1 ZINC000160580660 551582976 /nfs/dbraw/zinc/58/29/76/551582976.db2.gz NNIBVHQMHHXZNE-VIFPVBQESA-N 1 2 375.782 2.558 20 70 GFIDLO COC(=O)CC[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@H]1CCCO1 ZINC000159699476 551569707 /nfs/dbraw/zinc/56/97/07/551569707.db2.gz CUZAXKXKQQIFLB-CYBMUJFWSA-N 1 2 396.285 2.870 20 70 GFIDLO COC(=O)CC[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C[C@H]1CCCO1 ZINC000159699476 551569709 /nfs/dbraw/zinc/56/97/09/551569709.db2.gz CUZAXKXKQQIFLB-CYBMUJFWSA-N 1 2 396.285 2.870 20 70 GFIDLO COC(=O)CC[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)C[C@H]1CCCO1 ZINC000159699476 551569712 /nfs/dbraw/zinc/56/97/12/551569712.db2.gz CUZAXKXKQQIFLB-CYBMUJFWSA-N 1 2 396.285 2.870 20 70 GFIDLO COC(=O)CC[N@H+](Cc1nc2ccc(Br)cc2[nH]1)C[C@H]1CCCO1 ZINC000159699476 551569713 /nfs/dbraw/zinc/56/97/13/551569713.db2.gz CUZAXKXKQQIFLB-CYBMUJFWSA-N 1 2 396.285 2.870 20 70 GFIDLO CN(Cc1[nH+]ccn1C)C(=O)c1cc(F)c(F)cc1I ZINC000159814001 551571628 /nfs/dbraw/zinc/57/16/28/551571628.db2.gz RFWBVAWFLHJEQS-UHFFFAOYSA-N 1 2 391.159 2.575 20 70 GFIDLO Brc1cccc(Cc2noc(CSCC[NH+]3CCOCC3)n2)c1 ZINC000159852768 551572060 /nfs/dbraw/zinc/57/20/60/551572060.db2.gz VOCHOYYDBNRCPI-UHFFFAOYSA-N 1 2 398.326 2.988 20 70 GFIDLO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)s1 ZINC000160613597 551583369 /nfs/dbraw/zinc/58/33/69/551583369.db2.gz ASHJQYQFVRFKMG-UHFFFAOYSA-N 1 2 390.452 2.980 20 70 GFIDLO CCC[N@H+](Cc1cc(Br)c(OC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161084380 551590123 /nfs/dbraw/zinc/59/01/23/551590123.db2.gz KDYBPHMPWJKONC-JTQLQIEISA-N 1 2 382.345 2.918 20 70 GFIDLO CCC[N@@H+](Cc1cc(Br)c(OC)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161084380 551590127 /nfs/dbraw/zinc/59/01/27/551590127.db2.gz KDYBPHMPWJKONC-JTQLQIEISA-N 1 2 382.345 2.918 20 70 GFIDLO Cc1ccc(Br)cc1NC(=O)C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000159845569 551571906 /nfs/dbraw/zinc/57/19/06/551571906.db2.gz NGMMPASCWMOAGU-MRXNPFEDSA-N 1 2 376.254 2.512 20 70 GFIDLO C[C@H]1CCc2c(sc3nc(CSCC[NH+]4CCOCC4)nc(N)c23)C1 ZINC000159974434 551573573 /nfs/dbraw/zinc/57/35/73/551573573.db2.gz LVZGDSKJNVKQAL-LBPRGKRZSA-N 1 2 378.567 2.964 20 70 GFIDLO CN(Cc1ccc(Cl)s1)C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161201604 551591325 /nfs/dbraw/zinc/59/13/25/551591325.db2.gz PIGNSPBMCFYAED-UHFFFAOYSA-N 1 2 378.929 2.573 20 70 GFIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000159482652 551565878 /nfs/dbraw/zinc/56/58/78/551565878.db2.gz JLKCWEQIMNNDRA-UHFFFAOYSA-N 1 2 395.352 2.972 20 70 GFIDLO CC(C)C(=O)NCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000218406217 553053476 /nfs/dbraw/zinc/05/34/76/553053476.db2.gz QCHXKMPIHFSEFJ-UHFFFAOYSA-N 1 2 394.107 2.779 20 70 GFIDLO Cn1cc(N2CCC[C@@H]([N@@H+](C)Cc3cc(Br)ccc3F)C2=O)cn1 ZINC000159756090 551570178 /nfs/dbraw/zinc/57/01/78/551570178.db2.gz YIZNCIMRTYSWSA-MRXNPFEDSA-N 1 2 395.276 2.949 20 70 GFIDLO Cn1cc(N2CCC[C@@H]([N@H+](C)Cc3cc(Br)ccc3F)C2=O)cn1 ZINC000159756090 551570176 /nfs/dbraw/zinc/57/01/76/551570176.db2.gz YIZNCIMRTYSWSA-MRXNPFEDSA-N 1 2 395.276 2.949 20 70 GFIDLO COC(=O)CCC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000160924153 551587583 /nfs/dbraw/zinc/58/75/83/551587583.db2.gz OIGVRAYWXMZASV-INIZCTEOSA-N 1 2 383.286 2.641 20 70 GFIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3OC)CC2)s1 ZINC000159583202 551567353 /nfs/dbraw/zinc/56/73/53/551567353.db2.gz UJTPLOFMUSCCGP-UHFFFAOYSA-N 1 2 380.535 2.826 20 70 GFIDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000161348693 551593545 /nfs/dbraw/zinc/59/35/45/551593545.db2.gz CJGOPPMCQUZKFJ-UHFFFAOYSA-N 1 2 376.682 2.898 20 70 GFIDLO C[C@@H](CNC(=O)Nc1ccc(Br)c(Cl)c1)[NH+]1CCOCC1 ZINC000161364728 551593648 /nfs/dbraw/zinc/59/36/48/551593648.db2.gz CUZRNQLDVLTKBX-JTQLQIEISA-N 1 2 376.682 2.945 20 70 GFIDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000160690432 551584227 /nfs/dbraw/zinc/58/42/27/551584227.db2.gz HVRXGYNAEZHHRW-QMHKHESXSA-N 1 2 395.322 2.845 20 70 GFIDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000160690432 551584231 /nfs/dbraw/zinc/58/42/31/551584231.db2.gz HVRXGYNAEZHHRW-QMHKHESXSA-N 1 2 395.322 2.845 20 70 GFIDLO COC(=O)C1([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)CCCC1 ZINC000159444082 551565378 /nfs/dbraw/zinc/56/53/78/551565378.db2.gz QWEMWTAZNHNXGE-UHFFFAOYSA-N 1 2 397.313 2.825 20 70 GFIDLO COC(=O)C1([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)CCCC1 ZINC000159444082 551565379 /nfs/dbraw/zinc/56/53/79/551565379.db2.gz QWEMWTAZNHNXGE-UHFFFAOYSA-N 1 2 397.313 2.825 20 70 GFIDLO CC(C)c1nc(N(C)C)nc(N[C@H](CO)c2cccc(Br)c2)[nH+]1 ZINC000160674019 551584341 /nfs/dbraw/zinc/58/43/41/551584341.db2.gz SDBZTFFGZKEJTR-CYBMUJFWSA-N 1 2 380.290 2.969 20 70 GFIDLO CC(C)c1nc(N[C@H](CO)c2cccc(Br)c2)nc(N(C)C)[nH+]1 ZINC000160674019 551584342 /nfs/dbraw/zinc/58/43/42/551584342.db2.gz SDBZTFFGZKEJTR-CYBMUJFWSA-N 1 2 380.290 2.969 20 70 GFIDLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)Cc1ccccc1Br ZINC000160386112 551580090 /nfs/dbraw/zinc/58/00/90/551580090.db2.gz UZYZCXPXQWQMSQ-UHFFFAOYSA-N 1 2 393.329 2.960 20 70 GFIDLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)Cc1ccccc1Br ZINC000160386112 551580091 /nfs/dbraw/zinc/58/00/91/551580091.db2.gz UZYZCXPXQWQMSQ-UHFFFAOYSA-N 1 2 393.329 2.960 20 70 GFIDLO Cc1cc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1Br ZINC000160870004 551586289 /nfs/dbraw/zinc/58/62/89/551586289.db2.gz UKAUIAUZONDCBI-QGZVFWFLSA-N 1 2 399.354 2.695 20 70 GFIDLO O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161381081 551594153 /nfs/dbraw/zinc/59/41/53/551594153.db2.gz OKNWSTTXHXUORG-UKRRQHHQSA-N 1 2 389.297 2.603 20 70 GFIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000160018917 551574350 /nfs/dbraw/zinc/57/43/50/551574350.db2.gz FGEVKJKUCNIMJG-HNNXBMFYSA-N 1 2 386.945 2.631 20 70 GFIDLO Cc1cc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(Cl)cc1F ZINC000159482450 551565736 /nfs/dbraw/zinc/56/57/36/551565736.db2.gz XAPBUMLFYHYLMD-UHFFFAOYSA-N 1 2 392.924 2.766 20 70 GFIDLO CN(Cc1cc(Br)cs1)C(=O)CSCC[NH+]1CCOCC1 ZINC000159775116 551570893 /nfs/dbraw/zinc/57/08/93/551570893.db2.gz GOQAPIKNAVMVMX-UHFFFAOYSA-N 1 2 393.372 2.534 20 70 GFIDLO O=C(NCc1ccc(Br)cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160091823 551575151 /nfs/dbraw/zinc/57/51/51/551575151.db2.gz PHKVOYQCWFLEQR-UHFFFAOYSA-N 1 2 389.297 2.872 20 70 GFIDLO Cc1c([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)nnn1-c1ccc(Cl)cc1 ZINC000160580568 551582787 /nfs/dbraw/zinc/58/27/87/551582787.db2.gz NNIBVHQMHHXZNE-SECBINFHSA-N 1 2 375.782 2.558 20 70 GFIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000159759571 551570438 /nfs/dbraw/zinc/57/04/38/551570438.db2.gz ZTMSFUDELIGLOO-GFCCVEGCSA-N 1 2 378.416 2.978 20 70 GFIDLO CC[N@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160558347 551582318 /nfs/dbraw/zinc/58/23/18/551582318.db2.gz FJTFRIWWXJRPDK-ZDUSSCGKSA-N 1 2 381.416 2.645 20 70 GFIDLO CC[N@@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160558347 551582321 /nfs/dbraw/zinc/58/23/21/551582321.db2.gz FJTFRIWWXJRPDK-ZDUSSCGKSA-N 1 2 381.416 2.645 20 70 GFIDLO Brc1ccc2nc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)[nH]c2c1 ZINC000160986680 551588711 /nfs/dbraw/zinc/58/87/11/551588711.db2.gz RXFMRKXRRKEVFP-GFCCVEGCSA-N 1 2 375.274 2.829 20 70 GFIDLO Brc1ccc2nc(C[N@H+]3CCC[C@@H](Cn4ccnn4)C3)[nH]c2c1 ZINC000160986680 551588713 /nfs/dbraw/zinc/58/87/13/551588713.db2.gz RXFMRKXRRKEVFP-GFCCVEGCSA-N 1 2 375.274 2.829 20 70 GFIDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000159856076 551572094 /nfs/dbraw/zinc/57/20/94/551572094.db2.gz WCLTXZGRCQSSAF-UHFFFAOYSA-N 1 2 395.219 2.872 20 70 GFIDLO O=C(CSCC[NH+]1CCOCC1)Nc1c(F)cc(F)cc1Br ZINC000159916774 551573113 /nfs/dbraw/zinc/57/31/13/551573113.db2.gz JBPQRANFUTUKOG-UHFFFAOYSA-N 1 2 395.269 2.731 20 70 GFIDLO COc1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc(Br)c1OC ZINC000161086056 551590412 /nfs/dbraw/zinc/59/04/12/551590412.db2.gz PDSZOBFPXZJORH-GFCCVEGCSA-N 1 2 394.269 2.542 20 70 GFIDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000161381670 551594143 /nfs/dbraw/zinc/59/41/43/551594143.db2.gz ROBBZUIVNCBJBS-NSHDSACASA-N 1 2 387.477 2.602 20 70 GFIDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000161381670 551594144 /nfs/dbraw/zinc/59/41/44/551594144.db2.gz ROBBZUIVNCBJBS-NSHDSACASA-N 1 2 387.477 2.602 20 70 GFIDLO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2sccc2OC)CC1 ZINC000159674831 551569283 /nfs/dbraw/zinc/56/92/83/551569283.db2.gz MDYXTCIPNKPJGG-UHFFFAOYSA-N 1 2 381.523 2.699 20 70 GFIDLO Cc1ccc(Br)cc1NC(=O)C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000159845441 551572031 /nfs/dbraw/zinc/57/20/31/551572031.db2.gz NGMMPASCWMOAGU-INIZCTEOSA-N 1 2 376.254 2.512 20 70 GFIDLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CCCC[C@@H]1CO ZINC000159927663 551573041 /nfs/dbraw/zinc/57/30/41/551573041.db2.gz MJNCAUPFSAXFNC-LLVKDONJSA-N 1 2 375.252 2.565 20 70 GFIDLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CCCC[C@@H]1CO ZINC000159927663 551573042 /nfs/dbraw/zinc/57/30/42/551573042.db2.gz MJNCAUPFSAXFNC-LLVKDONJSA-N 1 2 375.252 2.565 20 70 GFIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000159981867 551573532 /nfs/dbraw/zinc/57/35/32/551573532.db2.gz IFLJCEYVGZVLTE-CQSZACIVSA-N 1 2 379.551 2.709 20 70 GFIDLO Cc1cc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1Br ZINC000160870061 551586326 /nfs/dbraw/zinc/58/63/26/551586326.db2.gz UKAUIAUZONDCBI-KRWDZBQOSA-N 1 2 399.354 2.695 20 70 GFIDLO Cc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Br)n1 ZINC000159693899 551569070 /nfs/dbraw/zinc/56/90/70/551569070.db2.gz HWDOIROWXPHBIF-ZDUSSCGKSA-N 1 2 377.286 2.981 20 70 GFIDLO O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CC[NH+](C2CC2)CC1 ZINC000160253055 551577971 /nfs/dbraw/zinc/57/79/71/551577971.db2.gz YQTANTDXLPLXJC-UHFFFAOYSA-N 1 2 397.697 2.710 20 70 GFIDLO COc1cc(OC)c(NC(=O)NCCCn2cc[nH+]c2)cc1Br ZINC000161098227 551590382 /nfs/dbraw/zinc/59/03/82/551590382.db2.gz OAMIPCRMEKWNKI-UHFFFAOYSA-N 1 2 383.246 2.875 20 70 GFIDLO CS[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000161443442 551594638 /nfs/dbraw/zinc/59/46/38/551594638.db2.gz AEFWHSZVUARUJE-ZWMNYZCKSA-N 1 2 389.924 2.636 20 70 GFIDLO CS[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000161443442 551594639 /nfs/dbraw/zinc/59/46/39/551594639.db2.gz AEFWHSZVUARUJE-ZWMNYZCKSA-N 1 2 389.924 2.636 20 70 GFIDLO NC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000161469425 551594809 /nfs/dbraw/zinc/59/48/09/551594809.db2.gz ZILKCSGZFRJTNY-JKSUJKDBSA-N 1 2 376.254 2.524 20 70 GFIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000159981740 551573699 /nfs/dbraw/zinc/57/36/99/551573699.db2.gz IFLJCEYVGZVLTE-AWEZNQCLSA-N 1 2 379.551 2.709 20 70 GFIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(Br)c(O)c1 ZINC000160584877 551583036 /nfs/dbraw/zinc/58/30/36/551583036.db2.gz FMZATBBJRIRALH-UHFFFAOYSA-N 1 2 392.253 2.947 20 70 GFIDLO COc1ccc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1O ZINC000160940034 551588083 /nfs/dbraw/zinc/58/80/83/551588083.db2.gz XFLDVEXAYZRZQC-INIZCTEOSA-N 1 2 379.254 2.822 20 70 GFIDLO COc1ccc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1O ZINC000160940034 551588084 /nfs/dbraw/zinc/58/80/84/551588084.db2.gz XFLDVEXAYZRZQC-INIZCTEOSA-N 1 2 379.254 2.822 20 70 GFIDLO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000161469307 551595176 /nfs/dbraw/zinc/59/51/76/551595176.db2.gz ZILKCSGZFRJTNY-HOTGVXAUSA-N 1 2 376.254 2.524 20 70 GFIDLO Cc1cccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1Br ZINC000160869182 551586416 /nfs/dbraw/zinc/58/64/16/551586416.db2.gz VIUHIMQZTGVKQI-QGZVFWFLSA-N 1 2 399.354 2.695 20 70 GFIDLO Cc1sc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1CS(C)(=O)=O ZINC000159846016 551571823 /nfs/dbraw/zinc/57/18/23/551571823.db2.gz HLPAXDAVVSBKDO-MRXNPFEDSA-N 1 2 380.535 2.634 20 70 GFIDLO CC(C)(C)c1ccc(C[NH+]2CCN(S(=O)(=O)c3cccnc3)CC2)s1 ZINC000159893589 551572634 /nfs/dbraw/zinc/57/26/34/551572634.db2.gz AJUGWFUTKKCCID-UHFFFAOYSA-N 1 2 379.551 2.947 20 70 GFIDLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)NCCc1ccc(Cl)cc1 ZINC000161243342 551591451 /nfs/dbraw/zinc/59/14/51/551591451.db2.gz FHLHKCIAYOHAIC-MRXNPFEDSA-N 1 2 378.822 2.634 20 70 GFIDLO CC(C)c1ncc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)s1 ZINC000160047862 551574700 /nfs/dbraw/zinc/57/47/00/551574700.db2.gz ROQXJARKYVAQFI-UHFFFAOYSA-N 1 2 379.448 2.993 20 70 GFIDLO O=C(CSCC[NH+]1CCOCC1)NCc1ccc(F)cc1C(F)(F)F ZINC000160063159 551574758 /nfs/dbraw/zinc/57/47/58/551574758.db2.gz BRUVQZBALYYKQF-UHFFFAOYSA-N 1 2 380.407 2.526 20 70 GFIDLO O=C(N[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160388140 551580070 /nfs/dbraw/zinc/58/00/70/551580070.db2.gz MQMLXXSCFQJWSG-BXUZGUMPSA-N 1 2 376.254 2.848 20 70 GFIDLO Cc1cc(Br)cc2cc(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)oc21 ZINC000160820689 551585749 /nfs/dbraw/zinc/58/57/49/551585749.db2.gz XLVFLOCSRUSMMD-XHDPSFHLSA-N 1 2 381.270 2.953 20 70 GFIDLO Cc1cc(Br)cc2cc(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)oc21 ZINC000160820689 551585752 /nfs/dbraw/zinc/58/57/52/551585752.db2.gz XLVFLOCSRUSMMD-XHDPSFHLSA-N 1 2 381.270 2.953 20 70 GFIDLO Nc1c(Cl)cc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1Cl ZINC000159758627 551570064 /nfs/dbraw/zinc/57/00/64/551570064.db2.gz FKFABAXEHAPOJQ-UHFFFAOYSA-N 1 2 381.263 2.737 20 70 GFIDLO O=C(NCc1[nH]cc[nH+]1)Nc1ccnn1Cc1cccc(Br)c1 ZINC000160207556 551577170 /nfs/dbraw/zinc/57/71/70/551577170.db2.gz CNMOWBWOEYUYGO-UHFFFAOYSA-N 1 2 375.230 2.739 20 70 GFIDLO