smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000338235130 1018780035 /nfs/dbraw/zinc/78/00/35/1018780035.db2.gz OLJLDHHYKXKNPF-QGZVFWFLSA-N 1 2 328.460 3.551 50 0 EHAALO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000338235130 1018780045 /nfs/dbraw/zinc/78/00/45/1018780045.db2.gz OLJLDHHYKXKNPF-QGZVFWFLSA-N 1 2 328.460 3.551 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1CCNC(=O)CCC1CCCC1 ZINC000257190027 1038515585 /nfs/dbraw/zinc/51/55/85/1038515585.db2.gz KVHYAGZUPJVQBE-UHFFFAOYSA-N 1 2 325.456 3.945 50 0 EHAALO CCOc1ccc(-c2noc(C[N@@H+]3CCCc4occc4C3)n2)cc1 ZINC000585083945 1136971247 /nfs/dbraw/zinc/97/12/47/1136971247.db2.gz SKWADGLNHWBCOV-UHFFFAOYSA-N 1 2 339.395 3.677 50 0 EHAALO CCOc1ccc(-c2noc(C[N@H+]3CCCc4occc4C3)n2)cc1 ZINC000585083945 1136971248 /nfs/dbraw/zinc/97/12/48/1136971248.db2.gz SKWADGLNHWBCOV-UHFFFAOYSA-N 1 2 339.395 3.677 50 0 EHAALO COc1ccc2[nH]c(C[NH2+]Cc3ccc([C@@H]4CCCCO4)o3)nc2c1 ZINC000952860174 1137482725 /nfs/dbraw/zinc/48/27/25/1137482725.db2.gz HDRFBYCYFGIHCP-KRWDZBQOSA-N 1 2 341.411 3.696 50 0 EHAALO C[C@H](c1ccccc1)[N@H+](C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000952884207 1137483374 /nfs/dbraw/zinc/48/33/74/1137483374.db2.gz VZYSVIHMLXNSAJ-TZMCWYRMSA-N 1 2 338.377 3.596 50 0 EHAALO C[C@H](c1ccccc1)[N@@H+](C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000952884207 1137483375 /nfs/dbraw/zinc/48/33/75/1137483375.db2.gz VZYSVIHMLXNSAJ-TZMCWYRMSA-N 1 2 338.377 3.596 50 0 EHAALO Cc1ccc(Cn2c3ccccc3n(C[C@@H](O)c3ccco3)c2=[NH2+])cc1 ZINC000019708582 202016570 /nfs/dbraw/zinc/01/65/70/202016570.db2.gz MJOZOYUYIBMKAO-LJQANCHMSA-N 1 2 347.418 3.606 50 0 EHAALO Fc1ccc(-n2ncc3c2nc[nH+]c3NCCc2ccccc2)cc1 ZINC000020661904 202052689 /nfs/dbraw/zinc/05/26/89/202052689.db2.gz CYFDYLDWWSIGHQ-UHFFFAOYSA-N 1 2 333.370 3.609 50 0 EHAALO Cc1ccccc1NC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000021158563 202063176 /nfs/dbraw/zinc/06/31/76/202063176.db2.gz PVANACMUSKHABY-UHFFFAOYSA-N 1 2 334.423 3.726 50 0 EHAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cn1c2ccccc2oc1=O ZINC000022239900 202080977 /nfs/dbraw/zinc/08/09/77/202080977.db2.gz FQLZJYXCFBVZSR-GFCCVEGCSA-N 1 2 339.420 3.855 50 0 EHAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cn1c2ccccc2oc1=O ZINC000022239900 202080978 /nfs/dbraw/zinc/08/09/78/202080978.db2.gz FQLZJYXCFBVZSR-GFCCVEGCSA-N 1 2 339.420 3.855 50 0 EHAALO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)cc2OC)no1 ZINC000021720241 202069524 /nfs/dbraw/zinc/06/95/24/202069524.db2.gz DXJOKQNOLLYTCM-SFHVURJKSA-N 1 2 330.428 3.981 50 0 EHAALO CCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OC)cc2OC)no1 ZINC000021720241 202069526 /nfs/dbraw/zinc/06/95/26/202069526.db2.gz DXJOKQNOLLYTCM-SFHVURJKSA-N 1 2 330.428 3.981 50 0 EHAALO CCCC12CN3CC(CCC)(C[NH+](C1)C3(C)c1ccccc1)C2=O ZINC000024540149 202117264 /nfs/dbraw/zinc/11/72/64/202117264.db2.gz CFTFMCHKRNNRQH-UHFFFAOYSA-N 1 2 326.484 3.646 50 0 EHAALO CC(C)=C[C@@H]1[C@H](C(=O)NCCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000024714812 202119043 /nfs/dbraw/zinc/11/90/43/202119043.db2.gz UYJXBYWMBOUMAO-CRAIPNDOSA-N 1 2 325.456 3.699 50 0 EHAALO O=C(Cc1ccc2ccccc2c1)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000025009034 202125270 /nfs/dbraw/zinc/12/52/70/202125270.db2.gz UCEVDWJJMYAGEK-UHFFFAOYSA-N 1 2 328.375 3.602 50 0 EHAALO C[C@H](c1ccccc1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026302689 202141256 /nfs/dbraw/zinc/14/12/56/202141256.db2.gz UVDDIKWAIKJQNZ-MRXNPFEDSA-N 1 2 338.455 3.584 50 0 EHAALO O=C(N[C@H]([NH2+]C1CCCCC1)C(=O)c1ccccc1)c1ccccc1 ZINC000026967052 202150238 /nfs/dbraw/zinc/15/02/38/202150238.db2.gz AIKWVPAHKZLFCQ-FQEVSTJZSA-N 1 2 336.435 3.548 50 0 EHAALO COc1ccccc1[C@H](NC(=O)CCC1CCCC1)c1[nH+]ccn1C ZINC000032842359 202237745 /nfs/dbraw/zinc/23/77/45/202237745.db2.gz UTASOEBFYBHDQB-IBGZPJMESA-N 1 2 341.455 3.605 50 0 EHAALO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1cc(F)ccc1F ZINC000033280232 202254726 /nfs/dbraw/zinc/25/47/26/202254726.db2.gz HGYVWJCDRQHSAJ-UHFFFAOYSA-N 1 2 346.381 3.672 50 0 EHAALO CCCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC(C)C)CC1 ZINC000034909951 202279746 /nfs/dbraw/zinc/27/97/46/202279746.db2.gz NTIWWHMEUMWGDQ-UHFFFAOYSA-N 1 2 342.487 3.577 50 0 EHAALO CCCCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000034910006 202280441 /nfs/dbraw/zinc/28/04/41/202280441.db2.gz HLWBRHKUVPXMIQ-MRXNPFEDSA-N 1 2 342.487 3.577 50 0 EHAALO O=C(c1cc(Cl)cc2cccnc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069981418 202300116 /nfs/dbraw/zinc/30/01/16/202300116.db2.gz XEHBOIWTWMFFAK-OAHLLOKOSA-N 1 2 340.814 3.562 50 0 EHAALO O=C(c1cc(Cl)cc2cccnc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069981414 202300347 /nfs/dbraw/zinc/30/03/47/202300347.db2.gz XEHBOIWTWMFFAK-HNNXBMFYSA-N 1 2 340.814 3.562 50 0 EHAALO Cc1ccc2nc(C)c(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2c1 ZINC000069771541 202292382 /nfs/dbraw/zinc/29/23/82/202292382.db2.gz KTQQUCLLRCTCHT-KRWDZBQOSA-N 1 2 334.423 3.525 50 0 EHAALO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1nnc(-c3ccco3)o1)CCC2 ZINC000072631420 202364922 /nfs/dbraw/zinc/36/49/22/202364922.db2.gz LOAFBXPNVLLIMW-GFCCVEGCSA-N 1 2 330.413 3.604 50 0 EHAALO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1nnc(-c3ccco3)o1)CCC2 ZINC000072631420 202364925 /nfs/dbraw/zinc/36/49/25/202364925.db2.gz LOAFBXPNVLLIMW-GFCCVEGCSA-N 1 2 330.413 3.604 50 0 EHAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(F)c(F)c3)n2)cn1 ZINC000071799284 202353940 /nfs/dbraw/zinc/35/39/40/202353940.db2.gz MOMMCOOLCQASHQ-QGZVFWFLSA-N 1 2 344.365 3.690 50 0 EHAALO Cn1cc([C@H]2CCC[N@H+]2Cc2coc(-c3ccc(F)c(F)c3)n2)cn1 ZINC000071799284 202353942 /nfs/dbraw/zinc/35/39/42/202353942.db2.gz MOMMCOOLCQASHQ-QGZVFWFLSA-N 1 2 344.365 3.690 50 0 EHAALO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCCCCCC1)c1ccccc1 ZINC000074869252 202373437 /nfs/dbraw/zinc/37/34/37/202373437.db2.gz KFMAYRSEAUECNM-SFHVURJKSA-N 1 2 340.471 3.680 50 0 EHAALO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1CO ZINC000215330689 241119768 /nfs/dbraw/zinc/11/97/68/241119768.db2.gz HSSLIYZIHAQUMA-MRXNPFEDSA-N 1 2 332.469 3.761 50 0 EHAALO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)cc1CO ZINC000215330689 241119771 /nfs/dbraw/zinc/11/97/71/241119771.db2.gz HSSLIYZIHAQUMA-MRXNPFEDSA-N 1 2 332.469 3.761 50 0 EHAALO CCOc1cc(Cl)c(C[N@H+](C)Cc2cnn(C)c2)cc1OCC ZINC000215525659 241132705 /nfs/dbraw/zinc/13/27/05/241132705.db2.gz FPHKLLDLFHAWED-UHFFFAOYSA-N 1 2 337.851 3.503 50 0 EHAALO CCOc1cc(Cl)c(C[N@@H+](C)Cc2cnn(C)c2)cc1OCC ZINC000215525659 241132710 /nfs/dbraw/zinc/13/27/10/241132710.db2.gz FPHKLLDLFHAWED-UHFFFAOYSA-N 1 2 337.851 3.503 50 0 EHAALO c1csc([C@H]2CCCC[N@H+]2Cc2cc(-c3ccncc3)no2)n1 ZINC000243914760 243034123 /nfs/dbraw/zinc/03/41/23/243034123.db2.gz BKJRABLOZLKNSG-MRXNPFEDSA-N 1 2 326.425 3.920 50 0 EHAALO c1csc([C@H]2CCCC[N@@H+]2Cc2cc(-c3ccncc3)no2)n1 ZINC000243914760 243034127 /nfs/dbraw/zinc/03/41/27/243034127.db2.gz BKJRABLOZLKNSG-MRXNPFEDSA-N 1 2 326.425 3.920 50 0 EHAALO Cc1c(F)cccc1NC(=O)C[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000244584356 243041057 /nfs/dbraw/zinc/04/10/57/243041057.db2.gz CXRHDSJEXRXQRP-SFHVURJKSA-N 1 2 327.403 3.695 50 0 EHAALO Cc1c(F)cccc1NC(=O)C[N@H+]1CCCC[C@H]1c1ccccn1 ZINC000244584356 243041064 /nfs/dbraw/zinc/04/10/64/243041064.db2.gz CXRHDSJEXRXQRP-SFHVURJKSA-N 1 2 327.403 3.695 50 0 EHAALO CC[C@@H](c1ccc(OC)cc1)N(CC)C(=O)C1(Cn2cc[nH+]c2)CC1 ZINC000065383612 202840550 /nfs/dbraw/zinc/84/05/50/202840550.db2.gz OQRXDCJFTRNVQS-SFHVURJKSA-N 1 2 341.455 3.672 50 0 EHAALO CC[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(F)c(F)c1 ZINC000069583398 203022740 /nfs/dbraw/zinc/02/27/40/203022740.db2.gz JJTLSUXETWQQPT-UHFFFAOYSA-N 1 2 333.304 3.746 50 0 EHAALO CC[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(F)c(F)c1 ZINC000069583398 203022743 /nfs/dbraw/zinc/02/27/43/203022743.db2.gz JJTLSUXETWQQPT-UHFFFAOYSA-N 1 2 333.304 3.746 50 0 EHAALO CC[NH+](CC)Cc1nnc2sc(-c3cccc4ccccc43)nn12 ZINC000071260556 203088685 /nfs/dbraw/zinc/08/86/85/203088685.db2.gz IFMWGMUZIXTBSI-UHFFFAOYSA-N 1 2 337.452 3.848 50 0 EHAALO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071750750 203106765 /nfs/dbraw/zinc/10/67/65/203106765.db2.gz ONDZLWZLCFYMKL-INIZCTEOSA-N 1 2 340.254 3.907 50 0 EHAALO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071750750 203106768 /nfs/dbraw/zinc/10/67/68/203106768.db2.gz ONDZLWZLCFYMKL-INIZCTEOSA-N 1 2 340.254 3.907 50 0 EHAALO CC(C)([NH2+]Cc1nc(C2CC2)no1)c1ccc(Br)cc1 ZINC000071819459 203118495 /nfs/dbraw/zinc/11/84/95/203118495.db2.gz QABTXXFBABGZKW-UHFFFAOYSA-N 1 2 336.233 3.734 50 0 EHAALO Cc1cc(N)nc(SCc2ccc(OCc3ccccn3)cc2)[nH+]1 ZINC000072034003 203159125 /nfs/dbraw/zinc/15/91/25/203159125.db2.gz PICIOPMPHUEHGD-UHFFFAOYSA-N 1 2 338.436 3.634 50 0 EHAALO CCCCc1nc(Cl)c(C[N@@H+]2CC[C@H](n3nc(C)cc3C)C2)[nH]1 ZINC000072153878 203174202 /nfs/dbraw/zinc/17/42/02/203174202.db2.gz RHZAVZQUERWMMN-AWEZNQCLSA-N 1 2 335.883 3.666 50 0 EHAALO CCCCc1nc(Cl)c(C[N@H+]2CC[C@H](n3nc(C)cc3C)C2)[nH]1 ZINC000072153878 203174206 /nfs/dbraw/zinc/17/42/06/203174206.db2.gz RHZAVZQUERWMMN-AWEZNQCLSA-N 1 2 335.883 3.666 50 0 EHAALO Cc1ccc([C@H](CC(=O)N2CCn3c[nH+]cc3C2)c2ccccc2)cc1 ZINC000072154397 203174570 /nfs/dbraw/zinc/17/45/70/203174570.db2.gz DIAYNQDOEAIHHW-OAQYLSRUSA-N 1 2 345.446 3.756 50 0 EHAALO O=C(COCC1CC1)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000076094718 203338271 /nfs/dbraw/zinc/33/82/71/203338271.db2.gz HPLMQWPYWVFPBM-UHFFFAOYSA-N 1 2 327.428 3.976 50 0 EHAALO COc1cccc(OC[C@@H]2CCCN(c3nc(C)[nH+]c(C)c3C)C2)c1 ZINC000077356987 203383877 /nfs/dbraw/zinc/38/38/77/203383877.db2.gz VOLFKTAMAWPAAT-QGZVFWFLSA-N 1 2 341.455 3.706 50 0 EHAALO Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3[C@H]3CCOC3)cc2)o1 ZINC000077488463 203391535 /nfs/dbraw/zinc/39/15/35/203391535.db2.gz VZYNEXMEDSEFEE-AWEZNQCLSA-N 1 2 337.379 3.530 50 0 EHAALO Cc1nc(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)cc(C(C)C)[nH+]1 ZINC000077538582 203394791 /nfs/dbraw/zinc/39/47/91/203394791.db2.gz JOORQXBCWWOUCB-FQEVSTJZSA-N 1 2 344.503 3.526 50 0 EHAALO Cn1cc[nH+]c1C[C@H](NC(=O)N1CC(C)(C)C1(C)C)c1ccccc1 ZINC000095406367 218342097 /nfs/dbraw/zinc/34/20/97/218342097.db2.gz KZWIHNQUZWXNEX-INIZCTEOSA-N 1 2 340.471 3.534 50 0 EHAALO O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)c1cc[nH]c(=O)c1 ZINC000095415586 218353704 /nfs/dbraw/zinc/35/37/04/218353704.db2.gz GINHXFOTFJRIBY-UHFFFAOYSA-N 1 2 336.395 3.551 50 0 EHAALO CC(C)(C)Sc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)ccn1 ZINC000097233598 219001005 /nfs/dbraw/zinc/00/10/05/219001005.db2.gz JUQQEGDITRXHBC-UHFFFAOYSA-N 1 2 344.484 3.646 50 0 EHAALO C[C@@H]1CCN(C(=O)Nc2nc(C3CCC3)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000283105977 258012824 /nfs/dbraw/zinc/01/28/24/258012824.db2.gz WXTWLVROSPRQKH-DOMZBBRYSA-N 1 2 345.472 3.722 50 0 EHAALO Cc1[nH]c2ccc(NC(=O)N(C)[C@H](C)Cc3ncccc3C)cc2[nH+]1 ZINC000299776847 258087351 /nfs/dbraw/zinc/08/73/51/258087351.db2.gz HPKGAGSDJCEHBW-CYBMUJFWSA-N 1 2 337.427 3.670 50 0 EHAALO Cc1cccc(C[N@@H+]2CCN(c3cc(C)ccc3F)C(=O)[C@@H]2C)c1 ZINC000037519877 132394848 /nfs/dbraw/zinc/39/48/48/132394848.db2.gz DHWVUNFAUVYRAN-INIZCTEOSA-N 1 2 326.415 3.680 50 0 EHAALO Cc1cccc(C[N@H+]2CCN(c3cc(C)ccc3F)C(=O)[C@@H]2C)c1 ZINC000037519877 132394850 /nfs/dbraw/zinc/39/48/50/132394850.db2.gz DHWVUNFAUVYRAN-INIZCTEOSA-N 1 2 326.415 3.680 50 0 EHAALO CCN(CC)c1nc(Nc2ccc(Cl)cc2)nc(N(CC)CC)[nH+]1 ZINC000000247352 563266147 /nfs/dbraw/zinc/26/61/47/563266147.db2.gz QHHANJJWXRZUEL-UHFFFAOYSA-N 1 2 348.882 3.961 50 0 EHAALO Cc1ccc(Cn2ncc3c2nc[nH+]c3NCCc2ccccc2)cc1 ZINC000000520887 563340423 /nfs/dbraw/zinc/34/04/23/563340423.db2.gz WCAJRTPPYYNUPO-UHFFFAOYSA-N 1 2 343.434 3.838 50 0 EHAALO CCOc1ccccc1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012629469 563666169 /nfs/dbraw/zinc/66/61/69/563666169.db2.gz DMPFSGIQUZBULO-OAHLLOKOSA-N 1 2 335.407 3.762 50 0 EHAALO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1ccc2c(c1)CCCC2 ZINC000012790760 563671565 /nfs/dbraw/zinc/67/15/65/563671565.db2.gz YDKGPHPGEXITMM-HNNXBMFYSA-N 1 2 346.434 3.637 50 0 EHAALO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1Cl ZINC000013070756 563687247 /nfs/dbraw/zinc/68/72/47/563687247.db2.gz PTNCIBYNECRQNI-NEPJUHHUSA-N 1 2 327.815 3.988 50 0 EHAALO Cc1ccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2C2CC2)cc1C ZINC000016903132 563825251 /nfs/dbraw/zinc/82/52/51/563825251.db2.gz YVIIIHSXLGCNRY-KRWDZBQOSA-N 1 2 336.435 3.970 50 0 EHAALO Cc1cc(N2CCC(C(=O)N3CCCCC3)CC2)[nH+]c2ccccc12 ZINC000046229199 563915969 /nfs/dbraw/zinc/91/59/69/563915969.db2.gz SXGWMEYKYKMHHG-UHFFFAOYSA-N 1 2 337.467 3.772 50 0 EHAALO C(=C/c1ccccc1)\c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000049545275 563931234 /nfs/dbraw/zinc/93/12/34/563931234.db2.gz FYEVYKPPBRACCA-ZHACJKMWSA-N 1 2 339.468 3.732 50 0 EHAALO O=C(c1ccc2[nH+]ccn2c1)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000057827118 563936096 /nfs/dbraw/zinc/93/60/96/563936096.db2.gz ZSBVWPIEZPMGFH-UHFFFAOYSA-N 1 2 343.789 3.932 50 0 EHAALO Cc1ccc(-c2csc(NC(=O)CCn3cc[nH+]c3)n2)c(C)c1 ZINC000057984648 563936136 /nfs/dbraw/zinc/93/61/36/563936136.db2.gz NJQQJRPGQNBPRC-UHFFFAOYSA-N 1 2 326.425 3.652 50 0 EHAALO CCN(Cc1cccc(Cl)c1)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058091627 563937404 /nfs/dbraw/zinc/93/74/04/563937404.db2.gz QMWYLKMYBSIROA-UHFFFAOYSA-N 1 2 340.814 3.583 50 0 EHAALO CCc1ccsc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000058282298 563941539 /nfs/dbraw/zinc/94/15/39/563941539.db2.gz XXNVEWVUSMMZPE-UHFFFAOYSA-N 1 2 341.436 3.838 50 0 EHAALO C[C@H](Cn1cc[nH+]c1)NC(=O)CCOc1ccccc1-c1ccccc1 ZINC000058406655 563945045 /nfs/dbraw/zinc/94/50/45/563945045.db2.gz IMKLBULQZIGDJA-QGZVFWFLSA-N 1 2 349.434 3.524 50 0 EHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(C)[nH]c3ccccc32)c1C ZINC000058956782 563947528 /nfs/dbraw/zinc/94/75/28/563947528.db2.gz YRQKFPOPYHZNBC-UHFFFAOYSA-N 1 2 337.423 3.769 50 0 EHAALO C[C@H](NC(=O)[C@H]1CCOc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432068 563952626 /nfs/dbraw/zinc/95/26/26/563952626.db2.gz VORURECXXYFGHZ-KXBFYZLASA-N 1 2 347.418 3.616 50 0 EHAALO Cc1nc(C2CCCC2)sc1C(=O)N[C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000096431136 563952641 /nfs/dbraw/zinc/95/26/41/563952641.db2.gz LORRTLXZYJPMER-GJZGRUSLSA-N 1 2 344.484 3.829 50 0 EHAALO COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000096431582 563952670 /nfs/dbraw/zinc/95/26/70/563952670.db2.gz CUYDLXZXCZESEJ-INIZCTEOSA-N 1 2 349.434 3.584 50 0 EHAALO CCc1c(-c2ccccc2)[nH+]cn1[C@H](CO)COCc1ccccc1 ZINC000065375455 563958776 /nfs/dbraw/zinc/95/87/76/563958776.db2.gz ALBCHFREEXIWEA-LJQANCHMSA-N 1 2 336.435 3.863 50 0 EHAALO CCc1ccc(C[N@@H+]2CCc3onc(-c4cccc(F)c4)c3C2)nc1 ZINC000067785901 563962714 /nfs/dbraw/zinc/96/27/14/563962714.db2.gz YLQBFXNHUODJPK-UHFFFAOYSA-N 1 2 337.398 3.996 50 0 EHAALO CCc1ccc(C[N@H+]2CCc3onc(-c4cccc(F)c4)c3C2)nc1 ZINC000067785901 563962715 /nfs/dbraw/zinc/96/27/15/563962715.db2.gz YLQBFXNHUODJPK-UHFFFAOYSA-N 1 2 337.398 3.996 50 0 EHAALO Cc1nc(N2Cc3cnc(-c4ccccc4)nc3C2)cc(C(C)C)[nH+]1 ZINC000067804976 563962783 /nfs/dbraw/zinc/96/27/83/563962783.db2.gz MPSSGGQMRDAKEB-UHFFFAOYSA-N 1 2 331.423 3.886 50 0 EHAALO CO[C@@H](C)c1ccc(Oc2ccccc2C[NH+]2CCN(C)CC2)cc1 ZINC000067921233 563963112 /nfs/dbraw/zinc/96/31/12/563963112.db2.gz CLJYMTGZCWMNTO-KRWDZBQOSA-N 1 2 340.467 3.934 50 0 EHAALO CCNC(=O)C[N@H+](CC)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000096954300 563970871 /nfs/dbraw/zinc/97/08/71/563970871.db2.gz OAXPCHAETFSCFU-UHFFFAOYSA-N 1 2 345.512 3.892 50 0 EHAALO CCNC(=O)C[N@@H+](CC)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000096954300 563970872 /nfs/dbraw/zinc/97/08/72/563970872.db2.gz OAXPCHAETFSCFU-UHFFFAOYSA-N 1 2 345.512 3.892 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2ccccc2C)C1 ZINC000091416798 563975349 /nfs/dbraw/zinc/97/53/49/563975349.db2.gz GRZWUHHXXORBMZ-GOSISDBHSA-N 1 2 325.456 3.550 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2)C1 ZINC000091593198 563975529 /nfs/dbraw/zinc/97/55/29/563975529.db2.gz QKLBNTAASZUVIH-ZDUSSCGKSA-N 1 2 332.835 3.968 50 0 EHAALO CC[C@@H](NC(=O)Cc1c(C)[nH]c2c1cc(C)cc2C)c1[nH]cc(C)[nH+]1 ZINC000092028429 563976013 /nfs/dbraw/zinc/97/60/13/563976013.db2.gz QTCOMOLMXMXUOI-QGZVFWFLSA-N 1 2 338.455 3.935 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000092107902 563976048 /nfs/dbraw/zinc/97/60/48/563976048.db2.gz NIIHSIPHEDFMAI-ZDUSSCGKSA-N 1 2 349.837 3.644 50 0 EHAALO CC(=O)c1ccc(C(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)s1 ZINC000095499929 563977042 /nfs/dbraw/zinc/97/70/42/563977042.db2.gz CDBSHRLINOEPBH-UHFFFAOYSA-N 1 2 345.468 3.748 50 0 EHAALO CCOC(=O)c1c(C)n(-c2ccc([NH+](C)C)cc2)c2ccc(O)cc21 ZINC000000284179 563990251 /nfs/dbraw/zinc/99/02/51/563990251.db2.gz KZCLSHSJZWDIOR-UHFFFAOYSA-N 1 2 338.407 3.887 50 0 EHAALO O=S(=O)(Nc1cc[nH+]cc1)c1ccc(Cl)c(Cl)c1Cl ZINC000000367689 563991743 /nfs/dbraw/zinc/99/17/43/563991743.db2.gz KAHNJYPVAZXPDO-UHFFFAOYSA-N 1 2 337.615 3.843 50 0 EHAALO Cc1cccn2cc(CNc3ccccc3[C@H](O)C(F)(F)F)[nH+]c12 ZINC000408514037 563992791 /nfs/dbraw/zinc/99/27/91/563992791.db2.gz HBHNJZZPWXTREP-HNNXBMFYSA-N 1 2 335.329 3.851 50 0 EHAALO Cc1cccn2cc(CNc3ccccc3[C@@H](O)C(F)(F)F)[nH+]c12 ZINC000408514038 563992814 /nfs/dbraw/zinc/99/28/14/563992814.db2.gz HBHNJZZPWXTREP-OAHLLOKOSA-N 1 2 335.329 3.851 50 0 EHAALO O=C(CCc1c[nH+]c[nH]1)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000189238670 564014973 /nfs/dbraw/zinc/01/49/73/564014973.db2.gz VOOXIWVSADBDNO-QGZVFWFLSA-N 1 2 345.855 3.963 50 0 EHAALO O=C(CCc1c[nH]c[nH+]1)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000189238670 564014974 /nfs/dbraw/zinc/01/49/74/564014974.db2.gz VOOXIWVSADBDNO-QGZVFWFLSA-N 1 2 345.855 3.963 50 0 EHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000044977610 564028053 /nfs/dbraw/zinc/02/80/53/564028053.db2.gz HXWMAALAZFAZQD-BLLLJJGKSA-N 1 2 325.437 3.883 50 0 EHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000044977610 564028054 /nfs/dbraw/zinc/02/80/54/564028054.db2.gz HXWMAALAZFAZQD-BLLLJJGKSA-N 1 2 325.437 3.883 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccsc1)c1ccc(Cl)cc1 ZINC000048324519 564030959 /nfs/dbraw/zinc/03/09/59/564030959.db2.gz DQJHUKHJIILXEK-INIZCTEOSA-N 1 2 345.855 3.583 50 0 EHAALO COc1ccc(NC(=O)/C=C2/c3ccccc3CC(C)(C)[N@H+]2C)cc1 ZINC000032106775 564050008 /nfs/dbraw/zinc/05/00/08/564050008.db2.gz XVKCMWWWFRTVLV-UYRXBGFRSA-N 1 2 336.435 3.941 50 0 biogenic EHAALO COc1ccc(NC(=O)/C=C2/c3ccccc3CC(C)(C)[N@@H+]2C)cc1 ZINC000032106775 564050009 /nfs/dbraw/zinc/05/00/09/564050009.db2.gz XVKCMWWWFRTVLV-UYRXBGFRSA-N 1 2 336.435 3.941 50 0 biogenic EHAALO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000244724308 564052292 /nfs/dbraw/zinc/05/22/92/564052292.db2.gz MRPYDOABSVTCHP-MRXNPFEDSA-N 1 2 348.805 3.873 50 0 EHAALO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000244724308 564052293 /nfs/dbraw/zinc/05/22/93/564052293.db2.gz MRPYDOABSVTCHP-MRXNPFEDSA-N 1 2 348.805 3.873 50 0 EHAALO COCc1noc(C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)n1 ZINC000182361452 564056344 /nfs/dbraw/zinc/05/63/44/564056344.db2.gz SIPGBAUZJUSVLS-GOSISDBHSA-N 1 2 335.407 3.516 50 0 EHAALO COCc1noc(C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)n1 ZINC000182361452 564056345 /nfs/dbraw/zinc/05/63/45/564056345.db2.gz SIPGBAUZJUSVLS-GOSISDBHSA-N 1 2 335.407 3.516 50 0 EHAALO Cc1ccc(OCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000012549912 564059080 /nfs/dbraw/zinc/05/90/80/564059080.db2.gz LLCJBICHBWDJKE-QGZVFWFLSA-N 1 2 349.434 3.745 50 0 EHAALO Cc1cc(C)cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)c1 ZINC000012551305 564059191 /nfs/dbraw/zinc/05/91/91/564059191.db2.gz RWAFAABVHNGTRG-SFHVURJKSA-N 1 2 337.398 3.695 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccsc1)c1ccc(Cl)cc1 ZINC000012556467 564059341 /nfs/dbraw/zinc/05/93/41/564059341.db2.gz BICIOHJANMEZGB-AWEZNQCLSA-N 1 2 331.828 3.654 50 0 EHAALO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[C@@H]2c2ccsc2)on1 ZINC000052822291 564062571 /nfs/dbraw/zinc/06/25/71/564062571.db2.gz RUJXDPGOGMYVNL-HZPDHXFCSA-N 1 2 345.468 3.545 50 0 EHAALO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N2CCC[C@@H]2c2ccsc2)on1 ZINC000052822291 564062572 /nfs/dbraw/zinc/06/25/72/564062572.db2.gz RUJXDPGOGMYVNL-HZPDHXFCSA-N 1 2 345.468 3.545 50 0 EHAALO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)cc(Cl)c2)no1 ZINC000053116713 564066710 /nfs/dbraw/zinc/06/67/10/564066710.db2.gz UFHYNAUIWSDVGU-SNVBAGLBSA-N 1 2 342.226 3.749 50 0 EHAALO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)no1 ZINC000053116713 564066711 /nfs/dbraw/zinc/06/67/11/564066711.db2.gz UFHYNAUIWSDVGU-SNVBAGLBSA-N 1 2 342.226 3.749 50 0 EHAALO Cc1cccn2cc(CSCc3cccc(C(=O)N(C)C)c3)[nH+]c12 ZINC000084495616 564068290 /nfs/dbraw/zinc/06/82/90/564068290.db2.gz DAONPONWPMUZBT-UHFFFAOYSA-N 1 2 339.464 3.778 50 0 EHAALO CC[N@H+](CC(=O)O[C@@H](C)c1ccccn1)Cc1ccc(Cl)cc1 ZINC000084777448 564070161 /nfs/dbraw/zinc/07/01/61/564070161.db2.gz ZAYKHTPCEZOWKP-AWEZNQCLSA-N 1 2 332.831 3.861 50 0 EHAALO CC[N@@H+](CC(=O)O[C@@H](C)c1ccccn1)Cc1ccc(Cl)cc1 ZINC000084777448 564070162 /nfs/dbraw/zinc/07/01/62/564070162.db2.gz ZAYKHTPCEZOWKP-AWEZNQCLSA-N 1 2 332.831 3.861 50 0 EHAALO CCOc1ccccc1NC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575613765 564082761 /nfs/dbraw/zinc/08/27/61/564082761.db2.gz SZYSSFLOZWVUEL-MRXNPFEDSA-N 1 2 341.411 3.556 50 0 EHAALO Cc1cc(NC(=O)C[N@@H+](C)Cc2sc3ccccc3c2Cl)no1 ZINC000053814832 564084119 /nfs/dbraw/zinc/08/41/19/564084119.db2.gz CIEWNZDTLGIXAF-UHFFFAOYSA-N 1 2 349.843 3.922 50 0 EHAALO Cc1cc(NC(=O)C[N@H+](C)Cc2sc3ccccc3c2Cl)no1 ZINC000053814832 564084120 /nfs/dbraw/zinc/08/41/20/564084120.db2.gz CIEWNZDTLGIXAF-UHFFFAOYSA-N 1 2 349.843 3.922 50 0 EHAALO COCc1nc(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)cs1 ZINC000078991335 564084615 /nfs/dbraw/zinc/08/46/15/564084615.db2.gz DUBIPVXNRQKVBD-UHFFFAOYSA-N 1 2 341.392 3.729 50 0 EHAALO Cc1[nH+]c2ccccc2n1Cc1ccc(C(=O)NCc2ccco2)o1 ZINC000035597045 564085340 /nfs/dbraw/zinc/08/53/40/564085340.db2.gz VNBLFWYTSWNNSY-UHFFFAOYSA-N 1 2 335.363 3.509 50 0 EHAALO Cc1cccn2cc(CC(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)[nH+]c12 ZINC000170610991 564109775 /nfs/dbraw/zinc/10/97/75/564109775.db2.gz XHIBGWYZMLQPJQ-WMLDXEAASA-N 1 2 337.423 3.560 50 0 EHAALO O=C(N[C@@H](c1ccc(F)cc1)C1CC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000089782795 564113710 /nfs/dbraw/zinc/11/37/10/564113710.db2.gz NOHFGQPXCOKJIF-IAGOWNOFSA-N 1 2 342.418 3.937 50 0 EHAALO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccsc1 ZINC000007926925 564125535 /nfs/dbraw/zinc/12/55/35/564125535.db2.gz JKVYNUKTILIFGK-UHFFFAOYSA-N 1 2 339.258 3.581 50 0 EHAALO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccsc1 ZINC000007926925 564125536 /nfs/dbraw/zinc/12/55/36/564125536.db2.gz JKVYNUKTILIFGK-UHFFFAOYSA-N 1 2 339.258 3.581 50 0 EHAALO Cc1cc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c(C)c[nH+]1 ZINC000253417198 564130822 /nfs/dbraw/zinc/13/08/22/564130822.db2.gz CRNYXVXPQUTRTI-PKOBYXMFSA-N 1 2 339.439 3.818 50 0 EHAALO Fc1ccc([C@@H]([NH2+][C@H]2CCOc3ccccc32)c2cnccn2)cc1 ZINC000253431954 564131755 /nfs/dbraw/zinc/13/17/55/564131755.db2.gz YZAVOAXGJWWUBA-FXAWDEMLSA-N 1 2 335.382 3.819 50 0 EHAALO COc1cccc(C2=CC[N@H+](Cc3nnc(C4CCC4)o3)CC2)c1 ZINC000095395333 564139424 /nfs/dbraw/zinc/13/94/24/564139424.db2.gz UOFRRZVMDVSRMG-UHFFFAOYSA-N 1 2 325.412 3.635 50 0 EHAALO COc1cccc(C2=CC[N@@H+](Cc3nnc(C4CCC4)o3)CC2)c1 ZINC000095395333 564139425 /nfs/dbraw/zinc/13/94/25/564139425.db2.gz UOFRRZVMDVSRMG-UHFFFAOYSA-N 1 2 325.412 3.635 50 0 EHAALO Cc1cnc([C@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C2CC2)s1 ZINC000095405372 564139574 /nfs/dbraw/zinc/13/95/74/564139574.db2.gz PFZLOTPYVKNBCB-ZIAGYGMSSA-N 1 2 345.472 3.563 50 0 EHAALO Cc1cccc([S@](=O)Cc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000095409395 564139625 /nfs/dbraw/zinc/13/96/25/564139625.db2.gz QOMDBSKYZAAHNI-FQEVSTJZSA-N 1 2 349.253 3.713 50 0 EHAALO CC(C)=CCOc1cccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000095961530 564142735 /nfs/dbraw/zinc/14/27/35/564142735.db2.gz WAEFXCKEAABNAU-KRWDZBQOSA-N 1 2 339.439 3.775 50 0 EHAALO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000095969203 564143349 /nfs/dbraw/zinc/14/33/49/564143349.db2.gz RZEBTDOGRXEGLG-BXUZGUMPSA-N 1 2 327.457 3.636 50 0 EHAALO COc1ccc([C@H](C)[NH2+]Cc2nc(C)c(C)o2)cc1Br ZINC000095984339 564143847 /nfs/dbraw/zinc/14/38/47/564143847.db2.gz DSRGRHCSRONVEJ-JTQLQIEISA-N 1 2 339.233 3.913 50 0 EHAALO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccccc1SC(C)C)CC2 ZINC000096007987 564144588 /nfs/dbraw/zinc/14/45/88/564144588.db2.gz FCQQKXZQNGWJQQ-UHFFFAOYSA-N 1 2 330.457 3.740 50 0 EHAALO O=C(N[C@@H](c1ccccc1)C1CCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000096404209 564147250 /nfs/dbraw/zinc/14/72/50/564147250.db2.gz GMSUTWQEKPHMGH-IBGZPJMESA-N 1 2 338.455 3.771 50 0 EHAALO O=C(C[NH+]1CCCC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003265002 564156772 /nfs/dbraw/zinc/15/67/72/564156772.db2.gz MXXVQXHPBWSQQG-UHFFFAOYSA-N 1 2 342.826 3.605 50 0 EHAALO CC(C)CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000003276719 564156852 /nfs/dbraw/zinc/15/68/52/564156852.db2.gz GJKZFDSYJASVOI-UHFFFAOYSA-N 1 2 329.469 3.686 50 0 EHAALO CC(C)CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000003276719 564156853 /nfs/dbraw/zinc/15/68/53/564156853.db2.gz GJKZFDSYJASVOI-UHFFFAOYSA-N 1 2 329.469 3.686 50 0 EHAALO CC(C)(C)NC(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000007989854 564161952 /nfs/dbraw/zinc/16/19/52/564161952.db2.gz PBGSWLDPUWLAIH-UHFFFAOYSA-N 1 2 336.439 3.563 50 0 EHAALO O=c1c2ccccc2cnn1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000066796038 564164134 /nfs/dbraw/zinc/16/41/34/564164134.db2.gz MWWZMGCVBQOCLM-GOSISDBHSA-N 1 2 333.435 3.624 50 0 EHAALO O=c1c2ccccc2cnn1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000066796038 564164135 /nfs/dbraw/zinc/16/41/35/564164135.db2.gz MWWZMGCVBQOCLM-GOSISDBHSA-N 1 2 333.435 3.624 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1C ZINC000008734366 564167098 /nfs/dbraw/zinc/16/70/98/564167098.db2.gz NALHRJGBKLFWLB-UHFFFAOYSA-N 1 2 342.414 3.821 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1C ZINC000008734366 564167099 /nfs/dbraw/zinc/16/70/99/564167099.db2.gz NALHRJGBKLFWLB-UHFFFAOYSA-N 1 2 342.414 3.821 50 0 EHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(CC(C)C)no2)cc1OC ZINC000040067079 564167880 /nfs/dbraw/zinc/16/78/80/564167880.db2.gz IYKSEPIPECKCIT-HNNXBMFYSA-N 1 2 345.443 3.622 50 0 EHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(CC(C)C)no2)cc1OC ZINC000040067079 564167881 /nfs/dbraw/zinc/16/78/81/564167881.db2.gz IYKSEPIPECKCIT-HNNXBMFYSA-N 1 2 345.443 3.622 50 0 EHAALO Cn1ncc2c1nc[nH+]c2Nc1ccc(OCc2ccccc2)cc1 ZINC000009532178 564174086 /nfs/dbraw/zinc/17/40/86/564174086.db2.gz GIJUFNVLWXWARZ-UHFFFAOYSA-N 1 2 331.379 3.686 50 0 EHAALO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2F)c1 ZINC000010225890 564175157 /nfs/dbraw/zinc/17/51/57/564175157.db2.gz ARHNMGHMZGQFNW-SFHVURJKSA-N 1 2 346.377 3.749 50 0 EHAALO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2F)c1 ZINC000010225890 564175158 /nfs/dbraw/zinc/17/51/58/564175158.db2.gz ARHNMGHMZGQFNW-SFHVURJKSA-N 1 2 346.377 3.749 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccccc1F)c1ccccc1F ZINC000010260928 564175201 /nfs/dbraw/zinc/17/52/01/564175201.db2.gz YLMVURPACAIAKU-MRXNPFEDSA-N 1 2 342.349 3.609 50 0 EHAALO c1cn(-c2ccc(-c3nc4c[nH]n(Cc5ccccc5)c-4n3)cc2)c[nH+]1 ZINC000102562748 1034243508 /nfs/dbraw/zinc/24/35/08/1034243508.db2.gz UCILXWKCXGLMAK-UHFFFAOYSA-N 1 2 340.390 3.660 50 0 EHAALO Cc1nc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c(C)o1 ZINC000584404891 1136759907 /nfs/dbraw/zinc/75/99/07/1136759907.db2.gz NMDRVRVJNQXGJI-UHFFFAOYSA-N 1 2 336.395 3.744 50 0 EHAALO C[NH+](C)Cc1nc(CNc2ccccc2OCC(F)(F)F)cs1 ZINC000585117446 1137010325 /nfs/dbraw/zinc/01/03/25/1137010325.db2.gz DBUUJZCQUOKIHO-UHFFFAOYSA-N 1 2 345.390 3.758 50 0 EHAALO CCc1cc2c(ncn(Cc3[nH]c4cc(C)c(C)cc4[nH+]3)c2=O)s1 ZINC000042496519 1137375084 /nfs/dbraw/zinc/37/50/84/1137375084.db2.gz BVGCAYKYTPCESM-UHFFFAOYSA-N 1 2 338.436 3.562 50 0 EHAALO O[C@@H](c1cccs1)C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000952966732 1137484766 /nfs/dbraw/zinc/48/47/66/1137484766.db2.gz JPHUQKAFLZDBIN-GOSISDBHSA-N 1 2 327.453 3.570 50 0 EHAALO Cc1ccccc1Cn1c2ccccc2n(C[C@@H](O)c2ccco2)c1=[NH2+] ZINC000019789942 202020507 /nfs/dbraw/zinc/02/05/07/202020507.db2.gz UDLMFXDAJFEHBX-LJQANCHMSA-N 1 2 347.418 3.606 50 0 EHAALO O=C(CCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000019798552 202021433 /nfs/dbraw/zinc/02/14/33/202021433.db2.gz FAQLEPILVVDIAQ-FQEVSTJZSA-N 1 2 327.399 3.862 50 0 EHAALO O=C(CCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000019798552 202021437 /nfs/dbraw/zinc/02/14/37/202021437.db2.gz FAQLEPILVVDIAQ-FQEVSTJZSA-N 1 2 327.399 3.862 50 0 EHAALO Cc1cc(N2CCO[C@H](c3cccc(Cl)c3)C2)nc(C2CC2)[nH+]1 ZINC000183968055 235274351 /nfs/dbraw/zinc/27/43/51/235274351.db2.gz YHQZVBOSMJQSAE-INIZCTEOSA-N 1 2 329.831 3.894 50 0 EHAALO Cc1cccc(NC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000020408275 202041481 /nfs/dbraw/zinc/04/14/81/202041481.db2.gz UIOIAHKMTCVRQC-UHFFFAOYSA-N 1 2 343.858 3.998 50 0 EHAALO CN(C)C(=O)[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000026879374 202149541 /nfs/dbraw/zinc/14/95/41/202149541.db2.gz ZQOVKQVIMOACEB-SFTDATJTSA-N 1 2 345.446 3.590 50 0 EHAALO CCc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)o1 ZINC000028933744 202178771 /nfs/dbraw/zinc/17/87/71/202178771.db2.gz YDUXCGHAQWMRHQ-UHFFFAOYSA-N 1 2 333.457 3.783 50 0 EHAALO Cc1[nH+]c2ccccc2n1Cc1ccc(C(=O)NCc2ccccc2)o1 ZINC000035597051 213039788 /nfs/dbraw/zinc/03/97/88/213039788.db2.gz NOQDHBSBAVCVKU-UHFFFAOYSA-N 1 2 345.402 3.916 50 0 EHAALO CCN(CC)c1cc(CNC(=O)Nc2ccc(C)c(F)c2)cc[nH+]1 ZINC000033280266 202255277 /nfs/dbraw/zinc/25/52/77/202255277.db2.gz KJWYJWAHVRGDND-UHFFFAOYSA-N 1 2 330.407 3.697 50 0 EHAALO O=C(c1ccc(OC2CCCC2)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069900206 202297343 /nfs/dbraw/zinc/29/73/43/202297343.db2.gz YXJWNKBZFJVHBP-KRWDZBQOSA-N 1 2 339.439 3.682 50 0 EHAALO Cc1cccc(-n2nnnc2C2([NH2+]Cc3ccco3)CCCCC2)c1 ZINC000035622759 202307176 /nfs/dbraw/zinc/30/71/76/202307176.db2.gz GIANEBSUNFEZLC-UHFFFAOYSA-N 1 2 337.427 3.513 50 0 EHAALO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCc2ccccc2C1 ZINC000036247481 202318714 /nfs/dbraw/zinc/31/87/14/202318714.db2.gz DXBHKRPHTBOWDV-ZDUSSCGKSA-N 1 2 337.448 3.682 50 0 EHAALO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCc2ccccc2C1 ZINC000036247481 202318718 /nfs/dbraw/zinc/31/87/18/202318718.db2.gz DXBHKRPHTBOWDV-ZDUSSCGKSA-N 1 2 337.448 3.682 50 0 EHAALO Cc1cccn2c(CC(=O)N(Cc3ccsc3)CC(C)C)c[nH+]c12 ZINC000055168318 202683099 /nfs/dbraw/zinc/68/30/99/202683099.db2.gz WHHHGYPFZKJBRW-UHFFFAOYSA-N 1 2 341.480 3.932 50 0 EHAALO CCCCOc1cc(F)ccc1-c1ccc(C[NH+]2CCOCC2)cn1 ZINC000215247072 241113429 /nfs/dbraw/zinc/11/34/29/241113429.db2.gz VWZNNOMPZYXYHX-UHFFFAOYSA-N 1 2 344.430 3.899 50 0 EHAALO Cc1ccc(-c2cccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2)o1 ZINC000215816640 241147539 /nfs/dbraw/zinc/14/75/39/241147539.db2.gz ATOHQIIXQBQASE-KRWDZBQOSA-N 1 2 335.407 3.998 50 0 EHAALO COc1ccc(Cl)c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000064880379 202819663 /nfs/dbraw/zinc/81/96/63/202819663.db2.gz LTSKWIHHWRGHJL-UHFFFAOYSA-N 1 2 341.798 3.846 50 0 EHAALO COc1ccc2cc([C@H]3CN(c4cc[nH+]c(C)n4)CCO3)ccc2c1 ZINC000071405786 203094885 /nfs/dbraw/zinc/09/48/85/203094885.db2.gz QXMKURWYCUWTEA-LJQANCHMSA-N 1 2 335.407 3.525 50 0 EHAALO Cc1n[nH]c(C)c1C[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071750751 203106622 /nfs/dbraw/zinc/10/66/22/203106622.db2.gz ONDZLWZLCFYMKL-MRXNPFEDSA-N 1 2 340.254 3.907 50 0 EHAALO Cc1n[nH]c(C)c1C[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071750751 203106626 /nfs/dbraw/zinc/10/66/26/203106626.db2.gz ONDZLWZLCFYMKL-MRXNPFEDSA-N 1 2 340.254 3.907 50 0 EHAALO COc1ccc(-c2[nH+]ccn2CCc2ccncc2)c(Cl)c1OC ZINC000071761401 203109781 /nfs/dbraw/zinc/10/97/81/203109781.db2.gz OFKPBFCWYRHDTO-UHFFFAOYSA-N 1 2 343.814 3.858 50 0 EHAALO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H](c1ccccc1)C1CCC1 ZINC000071803973 203116616 /nfs/dbraw/zinc/11/66/16/203116616.db2.gz LUBIXYNXXIULTR-IBGZPJMESA-N 1 2 338.455 3.560 50 0 EHAALO CCc1noc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000071812683 203117211 /nfs/dbraw/zinc/11/72/11/203117211.db2.gz VCMYPZHKLOUBFA-UHFFFAOYSA-N 1 2 346.818 3.806 50 0 EHAALO OC(c1ccccc1)(c1ccccc1)C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000072168221 203180672 /nfs/dbraw/zinc/18/06/72/203180672.db2.gz VAMXLZHMUGUXNV-UHFFFAOYSA-N 1 2 347.462 3.558 50 0 EHAALO Fc1ccc(C[N@@H+]2CCC[C@H](OCc3cccnc3)C2)c(F)c1F ZINC000072174222 203181822 /nfs/dbraw/zinc/18/18/22/203181822.db2.gz HVOFFEPATSVPNH-HNNXBMFYSA-N 1 2 336.357 3.680 50 0 EHAALO Fc1ccc(C[N@H+]2CCC[C@H](OCc3cccnc3)C2)c(F)c1F ZINC000072174222 203181826 /nfs/dbraw/zinc/18/18/26/203181826.db2.gz HVOFFEPATSVPNH-HNNXBMFYSA-N 1 2 336.357 3.680 50 0 EHAALO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccnn1-c1ccccc1 ZINC000072172768 203182379 /nfs/dbraw/zinc/18/23/79/203182379.db2.gz MWTOYISHBVEPHI-UHFFFAOYSA-N 1 2 343.434 3.690 50 0 EHAALO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccnn1-c1ccccc1 ZINC000072172768 203182383 /nfs/dbraw/zinc/18/23/83/203182383.db2.gz MWTOYISHBVEPHI-UHFFFAOYSA-N 1 2 343.434 3.690 50 0 EHAALO CSCCCN1CCc2[nH+]c[nH]c2[C@H]1c1ccc(Cl)cc1F ZINC000072408301 203216314 /nfs/dbraw/zinc/21/63/14/203216314.db2.gz RUBVOILMIDTAFW-MRXNPFEDSA-N 1 2 339.867 3.903 50 0 EHAALO CCCCc1[nH]c(C[N@@H+]2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)c[nH+]1 ZINC000072418777 203218207 /nfs/dbraw/zinc/21/82/07/203218207.db2.gz GCDODGIUVYOGMV-INIZCTEOSA-N 1 2 341.455 3.515 50 0 EHAALO CCCCc1[nH]c(C[N@H+]2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)c[nH+]1 ZINC000072418777 203218209 /nfs/dbraw/zinc/21/82/09/203218209.db2.gz GCDODGIUVYOGMV-INIZCTEOSA-N 1 2 341.455 3.515 50 0 EHAALO CC(C)c1ncc(-c2nccn2CCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000077303607 203380518 /nfs/dbraw/zinc/38/05/18/203380518.db2.gz CFHCVYFFCZZSND-UHFFFAOYSA-N 1 2 346.438 3.973 50 0 EHAALO O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000077343300 203381237 /nfs/dbraw/zinc/38/12/37/203381237.db2.gz JXLUUMZZNBOJHN-KRWDZBQOSA-N 1 2 334.423 3.516 50 0 EHAALO C[NH+](C)CC[C@H](c1ccccc1)n1cc[nH+]c1-c1ccc(C(=O)[O-])cc1 ZINC000077440100 203388591 /nfs/dbraw/zinc/38/85/91/203388591.db2.gz CCSFKFKAOFOQGL-LJQANCHMSA-N 1 2 349.434 3.789 50 0 EHAALO O=S(=O)(Nc1ccc([NH+]2CCCCC2)cc1)c1ccccc1F ZINC000000155396 206208701 /nfs/dbraw/zinc/20/87/01/206208701.db2.gz JIPIFKSKAOFQMK-UHFFFAOYSA-N 1 2 334.416 3.617 50 0 EHAALO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CC(C)(C)C1(C)C)c1ccccc1 ZINC000095406368 218342313 /nfs/dbraw/zinc/34/23/13/218342313.db2.gz KZWIHNQUZWXNEX-MRXNPFEDSA-N 1 2 340.471 3.534 50 0 EHAALO C[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc(-n2cccn2)cc1 ZINC000011818787 563651203 /nfs/dbraw/zinc/65/12/03/563651203.db2.gz RPYANMZNQYGSCX-UHFFFAOYSA-N 1 2 345.406 3.554 50 0 EHAALO C[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc(-n2cccn2)cc1 ZINC000011818787 563651208 /nfs/dbraw/zinc/65/12/08/563651208.db2.gz RPYANMZNQYGSCX-UHFFFAOYSA-N 1 2 345.406 3.554 50 0 EHAALO O=C1[C@@H]2C[C@@H](C[N@H+]2CCCc2ccccc2)N1c1ccccc1Cl ZINC000012338095 563658551 /nfs/dbraw/zinc/65/85/51/563658551.db2.gz DCOIRQLSOMJNHP-LPHOPBHVSA-N 1 2 340.854 3.762 50 0 EHAALO O=C1[C@@H]2C[C@@H](C[N@@H+]2CCCc2ccccc2)N1c1ccccc1Cl ZINC000012338095 563658554 /nfs/dbraw/zinc/65/85/54/563658554.db2.gz DCOIRQLSOMJNHP-LPHOPBHVSA-N 1 2 340.854 3.762 50 0 EHAALO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000012386070 563659684 /nfs/dbraw/zinc/65/96/84/563659684.db2.gz JMNSPQJZMLMLCZ-ZDUSSCGKSA-N 1 2 338.329 3.788 50 0 EHAALO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000012386070 563659688 /nfs/dbraw/zinc/65/96/88/563659688.db2.gz JMNSPQJZMLMLCZ-ZDUSSCGKSA-N 1 2 338.329 3.788 50 0 EHAALO C[NH+]1CCN(C(=O)c2sc3cccc(Cl)c3c2Cl)CC1 ZINC000032611352 563665392 /nfs/dbraw/zinc/66/53/92/563665392.db2.gz IMKOCFWOQJDHEP-UHFFFAOYSA-N 1 2 329.252 3.596 50 0 EHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCCc2ccccc2)cc1 ZINC000004354851 563665707 /nfs/dbraw/zinc/66/57/07/563665707.db2.gz SNSMHFATIROEEI-UHFFFAOYSA-N 1 2 329.407 3.779 50 0 EHAALO Cc1ccccc1NC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000013000469 563684547 /nfs/dbraw/zinc/68/45/47/563684547.db2.gz SYKAFPMOLGKZLD-MRXNPFEDSA-N 1 2 344.480 3.676 50 0 EHAALO Cc1ccccc1NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000013000469 563684548 /nfs/dbraw/zinc/68/45/48/563684548.db2.gz SYKAFPMOLGKZLD-MRXNPFEDSA-N 1 2 344.480 3.676 50 0 EHAALO O=C(N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1cc2ccccc2o1 ZINC000010643991 563853155 /nfs/dbraw/zinc/85/31/55/563853155.db2.gz PCKCMCDOCNGZPZ-INIZCTEOSA-N 1 2 331.375 3.870 50 0 EHAALO CCOC(=O)C1=C(c2ccccc2)O[C@H]([NH+](C)C)C(c2ccccc2)=C1 ZINC000022339720 563918547 /nfs/dbraw/zinc/91/85/47/563918547.db2.gz OXFAQXQBBDLEKD-NRFANRHFSA-N 1 2 349.430 3.962 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)CSCc1ccccc1Cl)C1CC1 ZINC000055401761 563934753 /nfs/dbraw/zinc/93/47/53/563934753.db2.gz IGWLOZBKPDLICE-MRXNPFEDSA-N 1 2 349.887 3.574 50 0 EHAALO CC(C)(C)Cc1cc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)on1 ZINC000058244835 563940653 /nfs/dbraw/zinc/94/06/53/563940653.db2.gz NKRBFSONJOTLJE-AWEZNQCLSA-N 1 2 347.463 3.696 50 0 EHAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1C(F)(F)F ZINC000058283007 563941682 /nfs/dbraw/zinc/94/16/82/563941682.db2.gz IXZURIOCLHEJCB-UHFFFAOYSA-N 1 2 345.324 3.821 50 0 EHAALO Cc1cccc(C)c1OCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000058933617 563947423 /nfs/dbraw/zinc/94/74/23/563947423.db2.gz WXUOUFVVKIVENI-LJQANCHMSA-N 1 2 329.415 3.895 50 0 EHAALO Cc1cccc(C)c1OCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000058933617 563947425 /nfs/dbraw/zinc/94/74/25/563947425.db2.gz WXUOUFVVKIVENI-LJQANCHMSA-N 1 2 329.415 3.895 50 0 EHAALO COc1cccc(Cl)c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000096425048 563952015 /nfs/dbraw/zinc/95/20/15/563952015.db2.gz DEIFWBJQYPNXTG-UHFFFAOYSA-N 1 2 345.761 3.926 50 0 EHAALO CC(C)c1ocnc1C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000096491289 563955609 /nfs/dbraw/zinc/95/56/09/563955609.db2.gz LIGIKNLELCUIMY-CYBMUJFWSA-N 1 2 329.400 3.605 50 0 EHAALO Cc1c[nH]c(-c2c(-c3ccccc3)ncn2CCCn2cc[nH+]c2)n1 ZINC000067446986 563962288 /nfs/dbraw/zinc/96/22/88/563962288.db2.gz CPWGSYRUZKLQOS-UHFFFAOYSA-N 1 2 332.411 3.535 50 0 EHAALO CCc1[nH]c(C)c(-c2nccn2[C@@H]2CCCc3sc(C)nc32)[nH+]1 ZINC000067674789 563962461 /nfs/dbraw/zinc/96/24/61/563962461.db2.gz GILZVQCVRBCQPR-GFCCVEGCSA-N 1 2 327.457 3.835 50 0 EHAALO Cc1ccc(C[N@@H+](C)CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)o1 ZINC000011217516 563962644 /nfs/dbraw/zinc/96/26/44/563962644.db2.gz NJDIYGMCJAOXOZ-IBGZPJMESA-N 1 2 332.419 3.672 50 0 EHAALO Cc1ccc(C[N@H+](C)CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)o1 ZINC000011217516 563962645 /nfs/dbraw/zinc/96/26/45/563962645.db2.gz NJDIYGMCJAOXOZ-IBGZPJMESA-N 1 2 332.419 3.672 50 0 EHAALO CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CCCn4nc(C)nc43)oc21 ZINC000097034727 563966927 /nfs/dbraw/zinc/96/69/27/563966927.db2.gz FHYZUUWAADSPOW-WFASDCNBSA-N 1 2 340.427 3.917 50 0 EHAALO Fc1cc(F)cc(CN2C[C@H](n3cc[nH+]c3)Cc3ccccc32)c1 ZINC000097059039 563971895 /nfs/dbraw/zinc/97/18/95/563971895.db2.gz SFJKEJUKGLPVRJ-GOSISDBHSA-N 1 2 325.362 3.965 50 0 EHAALO Cc1cn2cc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)ccc2[nH+]1 ZINC000082086867 563972027 /nfs/dbraw/zinc/97/20/27/563972027.db2.gz OIZHTFGBEHFPMI-FQEVSTJZSA-N 1 2 342.402 3.557 50 0 EHAALO O=C(c1ccc2[nH]ccc2c1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082120770 563972465 /nfs/dbraw/zinc/97/24/65/563972465.db2.gz LWUFGAMRJPRBAM-UHFFFAOYSA-N 1 2 348.450 3.794 50 0 EHAALO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1cc[nH+]cc1C ZINC000097083075 563973180 /nfs/dbraw/zinc/97/31/80/563973180.db2.gz VIGUQKFBKWJSMR-INIZCTEOSA-N 1 2 327.432 3.879 50 0 EHAALO CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)N1CC(c2ccccn2)C1 ZINC000091269916 563975154 /nfs/dbraw/zinc/97/51/54/563975154.db2.gz RDWRXOZLAVLCIS-SFHVURJKSA-N 1 2 348.450 3.571 50 0 EHAALO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2cc(=O)c3ccccc3[nH]2)no1 ZINC000091663845 563975642 /nfs/dbraw/zinc/97/56/42/563975642.db2.gz CJMKDEMEESHCKJ-GOSISDBHSA-N 1 2 337.423 3.977 50 0 EHAALO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2cc(=O)c3ccccc3[nH]2)no1 ZINC000091663845 563975643 /nfs/dbraw/zinc/97/56/43/563975643.db2.gz CJMKDEMEESHCKJ-GOSISDBHSA-N 1 2 337.423 3.977 50 0 EHAALO C[C@H](CC(=O)N1CCC(CCc2ccccc2)CC1)n1cc[nH+]c1 ZINC000091713907 563975717 /nfs/dbraw/zinc/97/57/17/563975717.db2.gz HGJYQTKOVUBSPH-QGZVFWFLSA-N 1 2 325.456 3.706 50 0 EHAALO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1(c2ccc(F)cc2)CC1 ZINC000091908276 563975868 /nfs/dbraw/zinc/97/58/68/563975868.db2.gz BFMPLDDHVHULLD-IBGZPJMESA-N 1 2 349.409 3.612 50 0 EHAALO O=c1c(C(F)(F)F)cccn1Cc1c[nH+]cn1C1CCCCC1 ZINC000095369087 563976814 /nfs/dbraw/zinc/97/68/14/563976814.db2.gz OBQALPXQGVEGQN-UHFFFAOYSA-N 1 2 325.334 3.617 50 0 EHAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000095383570 563976908 /nfs/dbraw/zinc/97/69/08/563976908.db2.gz DFTJIFVHPBIGDR-QGZVFWFLSA-N 1 2 341.455 3.639 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000095518828 563977384 /nfs/dbraw/zinc/97/73/84/563977384.db2.gz YLOLSCZPZPQDNS-GOSISDBHSA-N 1 2 325.456 3.632 50 0 EHAALO COc1cc(C)cc(-c2ccccc2OCCn2cc[nH+]c2)c1OC ZINC000096133524 563979418 /nfs/dbraw/zinc/97/94/18/563979418.db2.gz YSUDXZAMYYLUJD-UHFFFAOYSA-N 1 2 338.407 3.955 50 0 EHAALO Cc1noc(C)c1C[N@@H+]1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1 ZINC000097773113 563981893 /nfs/dbraw/zinc/98/18/93/563981893.db2.gz NVOGDUKANTUAHD-UHFFFAOYSA-N 1 2 344.365 3.518 50 0 EHAALO Cc1noc(C)c1C[N@H+]1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1 ZINC000097773113 563981894 /nfs/dbraw/zinc/98/18/94/563981894.db2.gz NVOGDUKANTUAHD-UHFFFAOYSA-N 1 2 344.365 3.518 50 0 EHAALO O=C(Cn1cc[nH+]c1)Nc1ccc(Oc2cccc3cccnc32)cc1 ZINC000073124065 563994910 /nfs/dbraw/zinc/99/49/10/563994910.db2.gz FKELHXCCPVTYBP-UHFFFAOYSA-N 1 2 344.374 3.862 50 0 EHAALO COc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C(C)C)cc1 ZINC000000787281 563998178 /nfs/dbraw/zinc/99/81/78/563998178.db2.gz DWOLAPLQFSKEGK-OAHLLOKOSA-N 1 2 340.423 3.608 50 0 EHAALO Fc1ccc2ncnc(NCc3ccc(Cn4cc[nH+]c4)cc3)c2c1 ZINC000080953285 564005321 /nfs/dbraw/zinc/00/53/21/564005321.db2.gz ZASKWTPBRQAQCM-UHFFFAOYSA-N 1 2 333.370 3.626 50 0 EHAALO Cc1cc(C)c(NC(=O)CSCC(=O)c2ccccc2)c(C)[nH+]1 ZINC000189467018 564015278 /nfs/dbraw/zinc/01/52/78/564015278.db2.gz LYKJLFQQUFHAIN-UHFFFAOYSA-N 1 2 328.437 3.561 50 0 EHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000000552486 564023016 /nfs/dbraw/zinc/02/30/16/564023016.db2.gz SZNJIQLXMKLFCU-HUUCEWRRSA-N 1 2 335.455 3.915 50 0 EHAALO O=C(NCCn1cc[nH+]c1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000195231879 564025852 /nfs/dbraw/zinc/02/58/52/564025852.db2.gz OHYRIJDPORNEJB-UHFFFAOYSA-N 1 2 331.847 3.555 50 0 EHAALO COc1ccc(C2=CC[N@H+](Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000048014178 564029946 /nfs/dbraw/zinc/02/99/46/564029946.db2.gz UKUKPNRXJMTVJN-UHFFFAOYSA-N 1 2 337.379 3.628 50 0 EHAALO COc1ccc(C2=CC[N@@H+](Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000048014178 564029947 /nfs/dbraw/zinc/02/99/47/564029947.db2.gz UKUKPNRXJMTVJN-UHFFFAOYSA-N 1 2 337.379 3.628 50 0 EHAALO CSCc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)o1 ZINC000218824356 564034444 /nfs/dbraw/zinc/03/44/44/564034444.db2.gz HFGYVCUDNZOPPH-MRXNPFEDSA-N 1 2 341.436 3.510 50 0 EHAALO COc1ccc(NC(=O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1Cl ZINC000012526868 564058124 /nfs/dbraw/zinc/05/81/24/564058124.db2.gz TUFPEWSZPZTSGG-UHFFFAOYSA-N 1 2 343.814 3.954 50 0 EHAALO O=C(Cc1ccccc1Cl)N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000012531450 564058312 /nfs/dbraw/zinc/05/83/12/564058312.db2.gz ZXGPCOZABBWBIN-KRWDZBQOSA-N 1 2 339.826 3.706 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NCc1ccc(F)cc1F)c1ccc(F)cc1 ZINC000042203700 564058437 /nfs/dbraw/zinc/05/84/37/564058437.db2.gz USZISPQYZXLBEE-KRWDZBQOSA-N 1 2 331.341 3.717 50 0 EHAALO Cc1cc(-c2ccc(C(=O)N[C@H]3CCCC[C@@H]3O)cc2)[nH+]c(C)c1C ZINC000534639514 564061420 /nfs/dbraw/zinc/06/14/20/564061420.db2.gz WHCXBGBYUGPAIH-ICSRJNTNSA-N 1 2 338.451 3.707 50 0 EHAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000084017138 564065841 /nfs/dbraw/zinc/06/58/41/564065841.db2.gz WNQQEKHMNIPKKP-ROUUACIJSA-N 1 2 345.874 3.978 50 0 EHAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000084017138 564065842 /nfs/dbraw/zinc/06/58/42/564065842.db2.gz WNQQEKHMNIPKKP-ROUUACIJSA-N 1 2 345.874 3.978 50 0 EHAALO Cc1cc(C)c(NC(=O)NCc2[nH+]ccn2CC(C)C)c(Cl)n1 ZINC000084111503 564066719 /nfs/dbraw/zinc/06/67/19/564066719.db2.gz GHKCWCPFNUBVMG-UHFFFAOYSA-N 1 2 335.839 3.526 50 0 EHAALO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000084425298 564068064 /nfs/dbraw/zinc/06/80/64/564068064.db2.gz XPXATBBXMNIAPP-JKSUJKDBSA-N 1 2 326.783 3.835 50 0 EHAALO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000084661124 564069515 /nfs/dbraw/zinc/06/95/15/564069515.db2.gz YCXBXXYFKKZAJW-KRWDZBQOSA-N 1 2 332.451 3.509 50 0 EHAALO CCN(C)c1ccccc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000084760954 564070111 /nfs/dbraw/zinc/07/01/11/564070111.db2.gz TWURFMMTTFQQII-INIZCTEOSA-N 1 2 327.432 3.625 50 0 EHAALO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000012785067 564070211 /nfs/dbraw/zinc/07/02/11/564070211.db2.gz SJHNVOVXDVJUNX-KBPBESRZSA-N 1 2 344.480 3.553 50 0 EHAALO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000012785067 564070212 /nfs/dbraw/zinc/07/02/12/564070212.db2.gz SJHNVOVXDVJUNX-KBPBESRZSA-N 1 2 344.480 3.553 50 0 EHAALO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@@H]2CCCCO2)n1 ZINC000085904638 564075172 /nfs/dbraw/zinc/07/51/72/564075172.db2.gz JGHCPDVWHPAELH-FQEVSTJZSA-N 1 2 325.456 3.665 50 0 EHAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2C1 ZINC000015880113 564077393 /nfs/dbraw/zinc/07/73/93/564077393.db2.gz HVDFQYGHHJBGFB-UHFFFAOYSA-N 1 2 329.469 3.681 50 0 EHAALO C[N@H+]1CCc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2C1 ZINC000015880113 564077394 /nfs/dbraw/zinc/07/73/94/564077394.db2.gz HVDFQYGHHJBGFB-UHFFFAOYSA-N 1 2 329.469 3.681 50 0 EHAALO Cc1cccc2c(=O)[nH]c(C[N@@H+]3CCC[C@@H]3c3cccs3)nc12 ZINC000012906319 564077861 /nfs/dbraw/zinc/07/78/61/564077861.db2.gz FHLNNJUXAIIPEI-CQSZACIVSA-N 1 2 325.437 3.630 50 0 EHAALO Cc1cccc2c(=O)[nH]c(C[N@H+]3CCC[C@@H]3c3cccs3)nc12 ZINC000012906319 564077862 /nfs/dbraw/zinc/07/78/62/564077862.db2.gz FHLNNJUXAIIPEI-CQSZACIVSA-N 1 2 325.437 3.630 50 0 EHAALO CC(=O)c1ccc(C(=O)N2CC[C@H](n3c(C)[nH+]c4ccccc43)C2)cc1 ZINC000575615133 564083373 /nfs/dbraw/zinc/08/33/73/564083373.db2.gz BLSDXHHFKLADPU-SFHVURJKSA-N 1 2 347.418 3.635 50 0 EHAALO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1ccc(F)c(F)c1 ZINC000012997740 564086098 /nfs/dbraw/zinc/08/60/98/564086098.db2.gz NANLFCSDLUDHBW-KRWDZBQOSA-N 1 2 334.341 3.880 50 0 EHAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1ccc(F)c(F)c1 ZINC000012997740 564086099 /nfs/dbraw/zinc/08/60/99/564086099.db2.gz NANLFCSDLUDHBW-KRWDZBQOSA-N 1 2 334.341 3.880 50 0 EHAALO C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)NCc3[nH]cc[nH+]3)c2)C1 ZINC000092030680 564088841 /nfs/dbraw/zinc/08/88/41/564088841.db2.gz FSOSIRQFYGRNJP-RHSMWYFYSA-N 1 2 342.443 3.827 50 0 EHAALO CCCN(Cc1cccnc1)C(=O)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000426382833 564093567 /nfs/dbraw/zinc/09/35/67/564093567.db2.gz YCTHZSJUBWCHTL-UHFFFAOYSA-N 1 2 334.423 3.535 50 0 EHAALO Cc1nc(N(C)Cc2csc(C(C)C)n2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426465476 564093783 /nfs/dbraw/zinc/09/37/83/564093783.db2.gz PGUDCBLXYIAIOS-CYBMUJFWSA-N 1 2 332.473 3.505 50 0 EHAALO CCn1cc(C[N@H+](C)Cc2cc(Cl)c(OC)cc2OC)c(C)n1 ZINC000426523737 564094003 /nfs/dbraw/zinc/09/40/03/564094003.db2.gz VUPPUYMWCLMMNW-UHFFFAOYSA-N 1 2 337.851 3.514 50 0 EHAALO CCn1cc(C[N@@H+](C)Cc2cc(Cl)c(OC)cc2OC)c(C)n1 ZINC000426523737 564094004 /nfs/dbraw/zinc/09/40/04/564094004.db2.gz VUPPUYMWCLMMNW-UHFFFAOYSA-N 1 2 337.851 3.514 50 0 EHAALO Cc1cccc(Cn2cc[nH+]c2CN(C(=O)c2ccco2)C(C)C)c1 ZINC000006696691 564096194 /nfs/dbraw/zinc/09/61/94/564096194.db2.gz XLQSAAACGUJRIP-UHFFFAOYSA-N 1 2 337.423 3.884 50 0 EHAALO O=C(Cc1cn2cc(F)ccc2[nH+]1)Nc1ccc(Cl)cc1Cl ZINC000065185590 564102535 /nfs/dbraw/zinc/10/25/35/564102535.db2.gz FJNJEOCACZQXRP-UHFFFAOYSA-N 1 2 338.169 3.961 50 0 EHAALO CCOC(=O)c1csc([C@@H]2CCCN2c2cc[nH+]c(C(C)C)n2)n1 ZINC000170611260 564109826 /nfs/dbraw/zinc/10/98/26/564109826.db2.gz GOCFEVPWYDGYKI-ZDUSSCGKSA-N 1 2 346.456 3.575 50 0 EHAALO O=C(C[N@H+](Cc1ccco1)Cc1cccs1)NC1CCCCC1 ZINC000007580566 564115800 /nfs/dbraw/zinc/11/58/00/564115800.db2.gz ADJBTFOUTVFMNB-UHFFFAOYSA-N 1 2 332.469 3.792 50 0 EHAALO O=C(C[N@@H+](Cc1ccco1)Cc1cccs1)NC1CCCCC1 ZINC000007580566 564115801 /nfs/dbraw/zinc/11/58/01/564115801.db2.gz ADJBTFOUTVFMNB-UHFFFAOYSA-N 1 2 332.469 3.792 50 0 EHAALO CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1[nH+]cc2ccccn21 ZINC000017046856 564116237 /nfs/dbraw/zinc/11/62/37/564116237.db2.gz BEZPFHJVZIQKCE-ZDUSSCGKSA-N 1 2 339.420 3.656 50 0 EHAALO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC[C@H]2c2ccsc2)on1 ZINC000252467560 564118794 /nfs/dbraw/zinc/11/87/94/564118794.db2.gz RUJXDPGOGMYVNL-HOTGVXAUSA-N 1 2 345.468 3.545 50 0 EHAALO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N2CCC[C@H]2c2ccsc2)on1 ZINC000252467560 564118795 /nfs/dbraw/zinc/11/87/95/564118795.db2.gz RUJXDPGOGMYVNL-HOTGVXAUSA-N 1 2 345.468 3.545 50 0 EHAALO CCC1CCC(N(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C2CC2)CC1 ZINC000065893792 564122071 /nfs/dbraw/zinc/12/20/71/564122071.db2.gz YCJFVDWUDBBLFA-UHFFFAOYSA-N 1 2 338.455 3.841 50 0 EHAALO O=c1nc(C[NH+]2CCCCC2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000007900834 564124971 /nfs/dbraw/zinc/12/49/71/564124971.db2.gz WMFSCYCPWCJWPH-UHFFFAOYSA-N 1 2 343.427 3.777 50 0 EHAALO Cc1ccc(-c2ncc(C[N@@H+]3CCO[C@@H](c4ccco4)C3)s2)o1 ZINC000093841817 564138031 /nfs/dbraw/zinc/13/80/31/564138031.db2.gz ULHVFGJGZVTVQL-MRXNPFEDSA-N 1 2 330.409 3.878 50 0 EHAALO Cc1ccc(-c2ncc(C[N@H+]3CCO[C@@H](c4ccco4)C3)s2)o1 ZINC000093841817 564138032 /nfs/dbraw/zinc/13/80/32/564138032.db2.gz ULHVFGJGZVTVQL-MRXNPFEDSA-N 1 2 330.409 3.878 50 0 EHAALO Cc1[nH]c(-c2cccc(NC(=O)C(=O)Nc3ccc(C)cc3)c2)[nH+]c1C ZINC000095398003 564139509 /nfs/dbraw/zinc/13/95/09/564139509.db2.gz NPVPFIPNSYFBGG-UHFFFAOYSA-N 1 2 348.406 3.579 50 0 EHAALO C[C@@H]1CCN(C(=O)Nc2cccc3cccnc32)C[C@@H]1n1cc[nH+]c1 ZINC000095412942 564139705 /nfs/dbraw/zinc/13/97/05/564139705.db2.gz MZSJXBWJPHOZQV-PBHICJAKSA-N 1 2 335.411 3.546 50 0 EHAALO C[C@@H]([NH2+][C@@H](c1cccnc1)c1ccc(F)c(F)c1)c1cnn(C)c1 ZINC000095421798 564140029 /nfs/dbraw/zinc/14/00/29/564140029.db2.gz IBPQXGNYCPLDBI-KZULUSFZSA-N 1 2 328.366 3.534 50 0 EHAALO CC[C@H](C)[C@H](C(=O)NCCc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000096408414 564147494 /nfs/dbraw/zinc/14/74/94/564147494.db2.gz QJGFMYVONKZVLJ-BBRMVZONSA-N 1 2 335.398 3.767 50 0 EHAALO O=c1[nH]c2ccccc2nc1C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000097201155 564149535 /nfs/dbraw/zinc/14/95/35/564149535.db2.gz MCVFQYKKTHQQHW-UHFFFAOYSA-N 1 2 345.402 3.719 50 0 EHAALO O=c1[nH]c2ccccc2nc1C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000097201155 564149536 /nfs/dbraw/zinc/14/95/36/564149536.db2.gz MCVFQYKKTHQQHW-UHFFFAOYSA-N 1 2 345.402 3.719 50 0 EHAALO CC(C)CCSCC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000056390846 564152344 /nfs/dbraw/zinc/15/23/44/564152344.db2.gz SZWNNLMZJVXCRF-KRWDZBQOSA-N 1 2 349.475 3.544 50 0 EHAALO COc1cccc(-n2ccnc2SCc2cn3ccccc3[nH+]2)c1 ZINC000057648425 564155303 /nfs/dbraw/zinc/15/53/03/564155303.db2.gz NYSUCCQZSXXARD-UHFFFAOYSA-N 1 2 336.420 3.821 50 0 EHAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccco1)N1CCCC1 ZINC000067288266 564165534 /nfs/dbraw/zinc/16/55/34/564165534.db2.gz GDDOQUDMFGWSNX-UHFFFAOYSA-N 1 2 339.370 3.815 50 0 EHAALO Cc1ccc(C[N@H+](C)CC(=O)Nc2cc(-c3ccc(C)cc3)no2)o1 ZINC000008751270 564167260 /nfs/dbraw/zinc/16/72/60/564167260.db2.gz VFCCSUGTVZQCCV-UHFFFAOYSA-N 1 2 339.395 3.622 50 0 EHAALO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cc(-c3ccc(C)cc3)no2)o1 ZINC000008751270 564167261 /nfs/dbraw/zinc/16/72/61/564167261.db2.gz VFCCSUGTVZQCCV-UHFFFAOYSA-N 1 2 339.395 3.622 50 0 EHAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1nc2ccccc2s1 ZINC000040118801 564168176 /nfs/dbraw/zinc/16/81/76/564168176.db2.gz QLVFFIVSZJGPLT-AWEZNQCLSA-N 1 2 343.456 3.729 50 0 EHAALO Cc1ccc2[nH+]c(COC(=O)c3cc(C)nc4ccccc43)cn2c1 ZINC000009376092 564173157 /nfs/dbraw/zinc/17/31/57/564173157.db2.gz ZSTUACNUMKNIDI-UHFFFAOYSA-N 1 2 331.375 3.856 50 0 EHAALO CCN(CC)C(=O)C[N@H+](Cc1cccs1)Cc1ccccc1OC ZINC000042366660 564174923 /nfs/dbraw/zinc/17/49/23/564174923.db2.gz OXGIICHITXYFNA-UHFFFAOYSA-N 1 2 346.496 3.627 50 0 EHAALO CCN(CC)C(=O)C[N@@H+](Cc1cccs1)Cc1ccccc1OC ZINC000042366660 564174924 /nfs/dbraw/zinc/17/49/24/564174924.db2.gz OXGIICHITXYFNA-UHFFFAOYSA-N 1 2 346.496 3.627 50 0 EHAALO Clc1cccc(Cc2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)c1 ZINC000065239602 568421272 /nfs/dbraw/zinc/42/12/72/568421272.db2.gz YKUGEVSDBYYRHQ-UHFFFAOYSA-N 1 2 337.770 3.562 50 0 EHAALO Cc1c[nH+]c(-c2ccncc2)n1[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000581807689 1132371465 /nfs/dbraw/zinc/37/14/65/1132371465.db2.gz QKEBNQGAQCAKGB-GOSISDBHSA-N 1 2 338.455 3.607 50 0 EHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000581807686 1132371588 /nfs/dbraw/zinc/37/15/88/1132371588.db2.gz MGEMIEYKDSGWJX-LJQANCHMSA-N 1 2 346.434 3.649 50 0 EHAALO CC(C)C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)n1cc[nH+]c1 ZINC000585132514 1137021588 /nfs/dbraw/zinc/02/15/88/1137021588.db2.gz YRMFFFGDGSHZKQ-GOSISDBHSA-N 1 2 326.444 3.709 50 0 EHAALO CCCc1nnc(SCc2c[nH+]c(N(C)C)c3ccccc23)o1 ZINC000585138026 1137022778 /nfs/dbraw/zinc/02/27/78/1137022778.db2.gz IMWYFZVXPCJGCU-UHFFFAOYSA-N 1 2 328.441 3.929 50 0 EHAALO Fc1ccc(-n2ncc3c2nc[nH+]c3SCc2ccccn2)cc1 ZINC000004271741 210157457 /nfs/dbraw/zinc/15/74/57/210157457.db2.gz XINNNPWIWCPFCE-UHFFFAOYSA-N 1 2 337.383 3.642 50 0 EHAALO CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008346276 201746453 /nfs/dbraw/zinc/74/64/53/201746453.db2.gz UOZBAMRLXPCNDN-OXJNMPFZSA-N 1 2 349.434 3.907 50 0 EHAALO CCCC12CN3CC(CCC)(C[NH+](C1)C3c1ccccc1C)C2=O ZINC000019323270 202004685 /nfs/dbraw/zinc/00/46/85/202004685.db2.gz XHXSKYVMJXWTFR-UHFFFAOYSA-N 1 2 326.484 3.781 50 0 biogenic EHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000019376279 202007512 /nfs/dbraw/zinc/00/75/12/202007512.db2.gz RUOGEMGNXBJZMR-UHFFFAOYSA-N 1 2 336.391 3.517 50 0 EHAALO CCCn1c2ccccc2n(C[C@@H](O)c2ccc(Cl)cc2)c1=[NH2+] ZINC000019771501 202019952 /nfs/dbraw/zinc/01/99/52/202019952.db2.gz VWIUXRLRHXNYCN-QGZVFWFLSA-N 1 2 329.831 3.719 50 0 EHAALO CC[NH+]1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000019939944 202028141 /nfs/dbraw/zinc/02/81/41/202028141.db2.gz LBQWVRMSTVGYTG-IBGZPJMESA-N 1 2 340.492 3.684 50 0 EHAALO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000020255556 202036465 /nfs/dbraw/zinc/03/64/65/202036465.db2.gz RTNJBEWIUJYGDF-UHFFFAOYSA-N 1 2 344.842 3.733 50 0 EHAALO Cc1ccc(-n2nnnc2[C@H]2c3ccccc3CC(C)(C)[N@@H+]2C)c(C)c1 ZINC000020477980 202043864 /nfs/dbraw/zinc/04/38/64/202043864.db2.gz GAQDPSKIJILHQR-LJQANCHMSA-N 1 2 347.466 3.635 50 0 EHAALO Cc1ccc(-n2nnnc2[C@H]2c3ccccc3CC(C)(C)[N@H+]2C)c(C)c1 ZINC000020477980 202043866 /nfs/dbraw/zinc/04/38/66/202043866.db2.gz GAQDPSKIJILHQR-LJQANCHMSA-N 1 2 347.466 3.635 50 0 EHAALO Cc1[nH]c([C@H]2CC(=O)N(C3CCCC3)C2)[nH+]c1-c1ccc(F)cc1F ZINC000020537552 202047244 /nfs/dbraw/zinc/04/72/44/202047244.db2.gz FBBLJVZXNVGMMW-LBPRGKRZSA-N 1 2 345.393 3.922 50 0 EHAALO O=C(c1ccc2[nH]ccc2c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020621673 202051631 /nfs/dbraw/zinc/05/16/31/202051631.db2.gz UGPHXGGJYFQSSF-QPJJXVBHSA-N 1 2 345.446 3.639 50 0 EHAALO CC1CC[NH+](Cc2csc(NC(=O)Cc3ccccc3F)n2)CC1 ZINC000022291552 202082236 /nfs/dbraw/zinc/08/22/36/202082236.db2.gz USENWPZGNFLYQC-UHFFFAOYSA-N 1 2 347.459 3.695 50 0 EHAALO O=c1[nH]c(C[N@@H+]2CCC[C@H]2c2cccs2)nc2cc(Cl)ccc12 ZINC000021866158 202072075 /nfs/dbraw/zinc/07/20/75/202072075.db2.gz JRBNZMOGHIVMDJ-AWEZNQCLSA-N 1 2 345.855 3.975 50 0 EHAALO O=c1[nH]c(C[N@H+]2CCC[C@H]2c2cccs2)nc2cc(Cl)ccc12 ZINC000021866158 202072077 /nfs/dbraw/zinc/07/20/77/202072077.db2.gz JRBNZMOGHIVMDJ-AWEZNQCLSA-N 1 2 345.855 3.975 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[NH+]1CCC(C)CC1)S2 ZINC000023156763 202099745 /nfs/dbraw/zinc/09/97/45/202099745.db2.gz MVQMVJJLPOHVSA-HNNXBMFYSA-N 1 2 342.468 3.626 50 0 EHAALO CC(C)c1n[nH]c2c1C[N@H+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000023429842 202104286 /nfs/dbraw/zinc/10/42/86/202104286.db2.gz PCWXJOMEZDPVOG-QGZVFWFLSA-N 1 2 329.444 3.926 50 0 EHAALO CC(C)c1n[nH]c2c1C[N@@H+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000023429842 202104287 /nfs/dbraw/zinc/10/42/87/202104287.db2.gz PCWXJOMEZDPVOG-QGZVFWFLSA-N 1 2 329.444 3.926 50 0 EHAALO CC(C)c1[nH]nc2c1C[N@H+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000023429842 202104291 /nfs/dbraw/zinc/10/42/91/202104291.db2.gz PCWXJOMEZDPVOG-QGZVFWFLSA-N 1 2 329.444 3.926 50 0 EHAALO CC(C)c1[nH]nc2c1C[N@@H+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000023429842 202104294 /nfs/dbraw/zinc/10/42/94/202104294.db2.gz PCWXJOMEZDPVOG-QGZVFWFLSA-N 1 2 329.444 3.926 50 0 EHAALO CCOc1ccccc1Nc1nn(C[NH+]2CCCC2)c(=S)s1 ZINC000023641005 202107245 /nfs/dbraw/zinc/10/72/45/202107245.db2.gz VZINMBKXJXJYOZ-UHFFFAOYSA-N 1 2 336.486 3.870 50 0 EHAALO Cc1ccc(C(=O)C2CC[NH+](Cc3nc(C4CC4)no3)CC2)c(C)c1 ZINC000026646637 202146895 /nfs/dbraw/zinc/14/68/95/202146895.db2.gz HRHRYZICXBEURV-UHFFFAOYSA-N 1 2 339.439 3.659 50 0 EHAALO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)sc1C ZINC000030000514 202192534 /nfs/dbraw/zinc/19/25/34/202192534.db2.gz XCRZPWAMHHVVKN-MRXNPFEDSA-N 1 2 343.427 3.757 50 0 EHAALO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccco1 ZINC000030276494 202195333 /nfs/dbraw/zinc/19/53/33/202195333.db2.gz TULQLOYWNKQTPI-LLVKDONJSA-N 1 2 326.318 3.757 50 0 EHAALO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccco1 ZINC000030276494 202195336 /nfs/dbraw/zinc/19/53/36/202195336.db2.gz TULQLOYWNKQTPI-LLVKDONJSA-N 1 2 326.318 3.757 50 0 EHAALO C[N@H+](CCOc1ccccc1)CN1c2cccc3cccc(c23)C1=O ZINC000032506676 202226286 /nfs/dbraw/zinc/22/62/86/202226286.db2.gz LQMYYLVOGSMZDG-UHFFFAOYSA-N 1 2 332.403 3.768 50 0 EHAALO C[N@@H+](CCOc1ccccc1)CN1c2cccc3cccc(c23)C1=O ZINC000032506676 202226288 /nfs/dbraw/zinc/22/62/88/202226288.db2.gz LQMYYLVOGSMZDG-UHFFFAOYSA-N 1 2 332.403 3.768 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(c3ccccc3)CC2)c1C ZINC000032909444 202241875 /nfs/dbraw/zinc/24/18/75/202241875.db2.gz NLTWOQKYJVXBCD-UHFFFAOYSA-N 1 2 338.451 3.896 50 0 EHAALO CC(C)CCNC(=O)[C@H]1CCCN(c2[nH]c3ccc(Cl)cc3[nH+]2)C1 ZINC000033071450 202249688 /nfs/dbraw/zinc/24/96/88/202249688.db2.gz UCXLXGNLWPNTNL-ZDUSSCGKSA-N 1 2 348.878 3.595 50 0 EHAALO CC(=O)c1cccc(NC(=O)CSc2[nH+]ccc3c2ccn3C)c1 ZINC000033171545 202252031 /nfs/dbraw/zinc/25/20/31/202252031.db2.gz RRGJWZWUELPACI-UHFFFAOYSA-N 1 2 339.420 3.507 50 0 EHAALO O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069629228 202289844 /nfs/dbraw/zinc/28/98/44/202289844.db2.gz VZHSZLPDHRVMPR-KRWDZBQOSA-N 1 2 348.406 3.548 50 0 EHAALO O=C(c1cc2cc(F)ccc2s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069919797 202292452 /nfs/dbraw/zinc/29/24/52/202292452.db2.gz TXQHGGBBEHHKHM-CQSZACIVSA-N 1 2 329.400 3.714 50 0 EHAALO O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069819495 202294076 /nfs/dbraw/zinc/29/40/76/202294076.db2.gz VEZXVJACLRJLNJ-IBGZPJMESA-N 1 2 348.450 3.675 50 0 EHAALO Cn1cc[nH+]c1CNC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000078402527 202390237 /nfs/dbraw/zinc/39/02/37/202390237.db2.gz IJLXXCLRLJVHGP-UHFFFAOYSA-N 1 2 348.834 3.717 50 0 EHAALO COc1ccc(C[N@H+](Cc2ccccc2)[C@@H](C)c2ccccn2)nn1 ZINC000330031904 201363754 /nfs/dbraw/zinc/36/37/54/201363754.db2.gz FSEMZKMYKKUCQD-INIZCTEOSA-N 1 2 334.423 3.644 50 0 EHAALO COc1ccc(C[N@@H+](Cc2ccccc2)[C@@H](C)c2ccccn2)nn1 ZINC000330031904 201363758 /nfs/dbraw/zinc/36/37/58/201363758.db2.gz FSEMZKMYKKUCQD-INIZCTEOSA-N 1 2 334.423 3.644 50 0 EHAALO c1cn2c([nH+]1)CN(c1ncnc3sc(-c4ccccc4)cc31)CC2 ZINC000097201518 201383078 /nfs/dbraw/zinc/38/30/78/201383078.db2.gz KBDBZUOROKQPGW-UHFFFAOYSA-N 1 2 333.420 3.575 50 0 EHAALO C[C@H](Sc1[nH+]cnc2c1cnn2C)c1ccc(OC(F)F)cc1 ZINC000058316420 202754890 /nfs/dbraw/zinc/75/48/90/202754890.db2.gz LFTSVIIGEZHYGD-VIFPVBQESA-N 1 2 336.367 3.818 50 0 EHAALO CC(C)c1noc([C@H](C)[NH+]2CCC(OCc3ccccc3)CC2)n1 ZINC000069531091 203013881 /nfs/dbraw/zinc/01/38/81/203013881.db2.gz WBSJPFADHWKUBW-HNNXBMFYSA-N 1 2 329.444 3.935 50 0 EHAALO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2cn[nH]c2C)cc1 ZINC000069564091 203020261 /nfs/dbraw/zinc/02/02/61/203020261.db2.gz GEERWDUKRMEFQQ-FQEVSTJZSA-N 1 2 339.414 3.939 50 0 EHAALO Cn1ncc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1C1CC1 ZINC000071416084 203095308 /nfs/dbraw/zinc/09/53/08/203095308.db2.gz CFYABHDOKTWYEH-QGZVFWFLSA-N 1 2 331.847 3.524 50 0 EHAALO Cn1ncc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1C1CC1 ZINC000071416084 203095310 /nfs/dbraw/zinc/09/53/10/203095310.db2.gz CFYABHDOKTWYEH-QGZVFWFLSA-N 1 2 331.847 3.524 50 0 EHAALO CCCc1ncc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000071721362 203105057 /nfs/dbraw/zinc/10/50/57/203105057.db2.gz MPXRCXLGYHAWQU-KRWDZBQOSA-N 1 2 331.847 3.656 50 0 EHAALO CCCc1ncc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000071721362 203105060 /nfs/dbraw/zinc/10/50/60/203105060.db2.gz MPXRCXLGYHAWQU-KRWDZBQOSA-N 1 2 331.847 3.656 50 0 EHAALO Cc1ccc(-c2[nH+]ccn2[C@H](C(N)=O)C(C)C)c(Cl)c1Cl ZINC000071721330 203105582 /nfs/dbraw/zinc/10/55/82/203105582.db2.gz ZXOPTVBKJVTDNP-ZDUSSCGKSA-N 1 2 326.227 3.848 50 0 EHAALO CCOc1cc(-c2[nH+]ccn2[C@@H](C)c2nc(CC)no2)ccc1OC ZINC000071755331 203107763 /nfs/dbraw/zinc/10/77/63/203107763.db2.gz HXRNUWFXUVTVDN-LBPRGKRZSA-N 1 2 342.399 3.512 50 0 EHAALO CCc1ccccc1OC1C[NH+](Cc2cnc(N3CCCC3)s2)C1 ZINC000072120789 203163771 /nfs/dbraw/zinc/16/37/71/203163771.db2.gz DKEXXTSFEUMBIX-UHFFFAOYSA-N 1 2 343.496 3.569 50 0 EHAALO COc1ccc(C[N@H+](C)Cc2cccc(-n3cccn3)c2)c(OC)c1 ZINC000072431836 203223575 /nfs/dbraw/zinc/22/35/75/203223575.db2.gz NMTCYIRXNOHHOK-UHFFFAOYSA-N 1 2 337.423 3.522 50 0 EHAALO COc1ccc(C[N@@H+](C)Cc2cccc(-n3cccn3)c2)c(OC)c1 ZINC000072431836 203223579 /nfs/dbraw/zinc/22/35/79/203223579.db2.gz NMTCYIRXNOHHOK-UHFFFAOYSA-N 1 2 337.423 3.522 50 0 EHAALO Cc1ccc([C@H]2CCCCCN2C(=O)NCCCn2cc[nH+]c2)o1 ZINC000076018678 203332133 /nfs/dbraw/zinc/33/21/33/203332133.db2.gz YFARQHWVFREBGZ-MRXNPFEDSA-N 1 2 330.432 3.502 50 0 EHAALO O=C(NCc1c[nH+]c[nH]1)c1ccccc1SCc1cccs1 ZINC000076041986 203333224 /nfs/dbraw/zinc/33/32/24/203333224.db2.gz OZEKRPFRTNTFDV-UHFFFAOYSA-N 1 2 329.450 3.694 50 0 EHAALO O=C(NCc1c[nH]c[nH+]1)c1ccccc1SCc1cccs1 ZINC000076041986 203333228 /nfs/dbraw/zinc/33/32/28/203333228.db2.gz OZEKRPFRTNTFDV-UHFFFAOYSA-N 1 2 329.450 3.694 50 0 EHAALO c1ccc(-c2noc(N3CCC[C@H](c4[nH]c5ccccc5[nH+]4)C3)n2)cc1 ZINC000077301121 203378476 /nfs/dbraw/zinc/37/84/76/203378476.db2.gz YMEVQTKEFDCNRB-HNNXBMFYSA-N 1 2 345.406 3.997 50 0 EHAALO Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077423669 203387344 /nfs/dbraw/zinc/38/73/44/203387344.db2.gz UOBAUJJYNGWAKS-QGZVFWFLSA-N 1 2 346.434 3.800 50 0 EHAALO CC(C)=C[C@@H]1[C@@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1(C)C ZINC000095348879 203714060 /nfs/dbraw/zinc/71/40/60/203714060.db2.gz JLHNZDRFFLLEAC-AEFFLSMTSA-N 1 2 327.472 3.536 50 0 EHAALO CCn1nc(C)c(C(=O)Oc2cc3c[nH+]ccc3cc2OC)c1Cl ZINC000095465925 203747127 /nfs/dbraw/zinc/74/71/27/203747127.db2.gz WBFVQFFLGXARLB-UHFFFAOYSA-N 1 2 345.786 3.641 50 0 EHAALO C[C@@H]1C[NH+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@@H](C)O1 ZINC000107071902 204224777 /nfs/dbraw/zinc/22/47/77/204224777.db2.gz MEPTVDCFVQDTLD-GPMSIDNRSA-N 1 2 349.434 3.935 50 0 EHAALO CCn1cc[nH+]c1-c1cccc(NC(=O)c2ccc3c(c2)CCO3)c1 ZINC000157023107 206113150 /nfs/dbraw/zinc/11/31/50/206113150.db2.gz KOTQMXANJAEYEI-UHFFFAOYSA-N 1 2 333.391 3.757 50 0 EHAALO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCc3sccc3C2)cc1C ZINC000010093638 211147610 /nfs/dbraw/zinc/14/76/10/211147610.db2.gz AETUOIBSQJVFDJ-HNNXBMFYSA-N 1 2 328.481 3.600 50 0 EHAALO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCc3sccc3C2)cc1C ZINC000010093638 211147614 /nfs/dbraw/zinc/14/76/14/211147614.db2.gz AETUOIBSQJVFDJ-HNNXBMFYSA-N 1 2 328.481 3.600 50 0 EHAALO COc1ccc2c(c1)C=C(C[N@@H+]1CCCC[C@H]1c1cc(C)on1)CO2 ZINC000097527375 219033359 /nfs/dbraw/zinc/03/33/59/219033359.db2.gz ONUCZWGADBSWAZ-IBGZPJMESA-N 1 2 340.423 3.995 50 0 EHAALO COc1ccc2c(c1)C=C(C[N@H+]1CCCC[C@H]1c1cc(C)on1)CO2 ZINC000097527375 219033362 /nfs/dbraw/zinc/03/33/62/219033362.db2.gz ONUCZWGADBSWAZ-IBGZPJMESA-N 1 2 340.423 3.995 50 0 EHAALO C[N@H+](Cc1cscn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000328588652 258045348 /nfs/dbraw/zinc/04/53/48/258045348.db2.gz UGBSYIOLGRSPNK-CYBMUJFWSA-N 1 2 339.258 3.861 50 0 EHAALO C[N@@H+](Cc1cscn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000328588652 258045349 /nfs/dbraw/zinc/04/53/49/258045349.db2.gz UGBSYIOLGRSPNK-CYBMUJFWSA-N 1 2 339.258 3.861 50 0 EHAALO CCn1c(C)csc1=[NH+]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000334157450 258004331 /nfs/dbraw/zinc/00/43/31/258004331.db2.gz KTLNWZQHGPTYBE-GJZGRUSLSA-N 1 2 331.485 3.724 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000280755404 258013835 /nfs/dbraw/zinc/01/38/35/258013835.db2.gz AKBWMXRWSWROFS-RCCFBDPRSA-N 1 2 341.430 3.899 50 0 EHAALO COc1ccc(C[N@@H+](Cc2nccn2C(C)C)C[C@@H]2CCCO2)cc1 ZINC000299798910 258102412 /nfs/dbraw/zinc/10/24/12/258102412.db2.gz ULSNNJAWMVZWGK-IBGZPJMESA-N 1 2 343.471 3.654 50 0 EHAALO COc1ccc(C[N@H+](Cc2nccn2C(C)C)C[C@@H]2CCCO2)cc1 ZINC000299798910 258102414 /nfs/dbraw/zinc/10/24/14/258102414.db2.gz ULSNNJAWMVZWGK-IBGZPJMESA-N 1 2 343.471 3.654 50 0 EHAALO Cc1cc(N2CCC[C@H](c3[nH]c4c(cccc4C)[nH+]3)C2)n2nccc2n1 ZINC000072477840 258064871 /nfs/dbraw/zinc/06/48/71/258064871.db2.gz NAYJMZIIKPDWHV-HNNXBMFYSA-N 1 2 346.438 3.606 50 0 EHAALO Cc1cc(N2CCC[C@H](c3[nH]c4cccc(C)c4[nH+]3)C2)n2nccc2n1 ZINC000072477840 258064872 /nfs/dbraw/zinc/06/48/72/258064872.db2.gz NAYJMZIIKPDWHV-HNNXBMFYSA-N 1 2 346.438 3.606 50 0 EHAALO CC(C)([NH2+]Cc1cn2cccnc2n1)c1ccccc1Br ZINC000181520169 527295171 /nfs/dbraw/zinc/29/51/71/527295171.db2.gz KIJYMOAOWNQDOO-UHFFFAOYSA-N 1 2 345.244 3.517 50 0 EHAALO CC(C)c1cc([C@@H]2CCC[N@@H+]2CCn2c3ccccc3oc2=O)no1 ZINC000215362236 535370156 /nfs/dbraw/zinc/37/01/56/535370156.db2.gz VCOYBHYJODLHQS-HNNXBMFYSA-N 1 2 341.411 3.543 50 0 EHAALO CC(C)c1cc([C@@H]2CCC[N@H+]2CCn2c3ccccc3oc2=O)no1 ZINC000215362236 535370157 /nfs/dbraw/zinc/37/01/57/535370157.db2.gz VCOYBHYJODLHQS-HNNXBMFYSA-N 1 2 341.411 3.543 50 0 EHAALO CCc1ccc(C[N@H+](C)Cc2nc(Cc3ccccc3F)no2)cc1 ZINC000011817231 563651464 /nfs/dbraw/zinc/65/14/64/563651464.db2.gz TWIQEHOIKFMMFT-UHFFFAOYSA-N 1 2 339.414 3.994 50 0 EHAALO CCc1ccc(C[N@@H+](C)Cc2nc(Cc3ccccc3F)no2)cc1 ZINC000011817231 563651473 /nfs/dbraw/zinc/65/14/73/563651473.db2.gz TWIQEHOIKFMMFT-UHFFFAOYSA-N 1 2 339.414 3.994 50 0 EHAALO c1[nH]c(CN2CCO[C@@H](CC(c3ccccc3)c3ccccc3)C2)c[nH+]1 ZINC000011819348 563651511 /nfs/dbraw/zinc/65/15/11/563651511.db2.gz MXHBHQXZAQRGQI-NRFANRHFSA-N 1 2 347.462 3.833 50 0 EHAALO c1[nH]cc(CN2CCO[C@@H](CC(c3ccccc3)c3ccccc3)C2)[nH+]1 ZINC000011819348 563651515 /nfs/dbraw/zinc/65/15/15/563651515.db2.gz MXHBHQXZAQRGQI-NRFANRHFSA-N 1 2 347.462 3.833 50 0 EHAALO Cc1ccccc1[C@@H](CC(=O)NCc1[nH+]ccn1C)c1ccccc1 ZINC000012444579 563660816 /nfs/dbraw/zinc/66/08/16/563660816.db2.gz ZYFSIPNVTMBRCW-IBGZPJMESA-N 1 2 333.435 3.567 50 0 EHAALO Fc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000004476629 563726495 /nfs/dbraw/zinc/72/64/95/563726495.db2.gz RHEPNOCGMNCBJO-GOSISDBHSA-N 1 2 343.450 3.893 50 0 EHAALO Cc1ccsc1C[N@@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000014116188 563742363 /nfs/dbraw/zinc/74/23/63/563742363.db2.gz KEYOYCVUIUROPW-UHFFFAOYSA-N 1 2 333.844 3.578 50 0 EHAALO Cc1ccsc1C[N@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000014116188 563742367 /nfs/dbraw/zinc/74/23/67/563742367.db2.gz KEYOYCVUIUROPW-UHFFFAOYSA-N 1 2 333.844 3.578 50 0 EHAALO COc1ccc(-c2nnc(Cn3c[nH+]c4cc(C)c(C)cc43)o2)cc1 ZINC000014341752 563758112 /nfs/dbraw/zinc/75/81/12/563758112.db2.gz RWWRBCBDDXEYAJ-UHFFFAOYSA-N 1 2 334.379 3.760 50 0 EHAALO CSc1ccccc1C(=O)[C@H]1CCCN(Cc2c[nH+]c(C)[nH]2)C1 ZINC000015066508 563775143 /nfs/dbraw/zinc/77/51/43/563775143.db2.gz DDGAMMBSOZEZER-AWEZNQCLSA-N 1 2 329.469 3.535 50 0 EHAALO CSc1ccccc1C(=O)[C@H]1CCCN(Cc2c[nH]c(C)[nH+]2)C1 ZINC000015066508 563775149 /nfs/dbraw/zinc/77/51/49/563775149.db2.gz DDGAMMBSOZEZER-AWEZNQCLSA-N 1 2 329.469 3.535 50 0 EHAALO COc1ccc(-c2nc(CCn3c(C)[nH+]c4ccccc43)no2)cc1 ZINC000017144175 563838525 /nfs/dbraw/zinc/83/85/25/563838525.db2.gz VZMDPOLSPNYABK-UHFFFAOYSA-N 1 2 334.379 3.646 50 0 EHAALO c1cc2c(ncnc2N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)s1 ZINC000022201489 563862569 /nfs/dbraw/zinc/86/25/69/563862569.db2.gz REHRUOVILUDNBW-UHFFFAOYSA-N 1 2 335.436 3.952 50 0 EHAALO Clc1cccc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)c1 ZINC000049544768 563931237 /nfs/dbraw/zinc/93/12/37/563931237.db2.gz KBOYPSISOPTYIE-UHFFFAOYSA-N 1 2 347.875 3.882 50 0 EHAALO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(F)cc2)cn1 ZINC000055166915 563933869 /nfs/dbraw/zinc/93/38/69/563933869.db2.gz OOLMPTFFKRYDOK-UHFFFAOYSA-N 1 2 337.398 3.827 50 0 EHAALO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(F)cc2)cn1 ZINC000055166915 563933870 /nfs/dbraw/zinc/93/38/70/563933870.db2.gz OOLMPTFFKRYDOK-UHFFFAOYSA-N 1 2 337.398 3.827 50 0 EHAALO Cc1ccc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1 ZINC000057524545 563935740 /nfs/dbraw/zinc/93/57/40/563935740.db2.gz PMARENFVWOPWHJ-UHFFFAOYSA-N 1 2 327.457 3.537 50 0 EHAALO Cc1ccc(-c2ccc(=O)n(C[N@@H+](C)Cc3ccccc3C)n2)s1 ZINC000058309624 563942309 /nfs/dbraw/zinc/94/23/09/563942309.db2.gz CYYTWJKLIKYMPK-UHFFFAOYSA-N 1 2 339.464 3.678 50 0 EHAALO Cc1ccc(-c2ccc(=O)n(C[N@H+](C)Cc3ccccc3C)n2)s1 ZINC000058309624 563942311 /nfs/dbraw/zinc/94/23/11/563942311.db2.gz CYYTWJKLIKYMPK-UHFFFAOYSA-N 1 2 339.464 3.678 50 0 EHAALO COc1ccc([NH2+]CCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000058356659 563943483 /nfs/dbraw/zinc/94/34/83/563943483.db2.gz YCQAKAFIEXKXHJ-UHFFFAOYSA-N 1 2 349.434 3.563 50 0 EHAALO COCc1cccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000058619763 563946954 /nfs/dbraw/zinc/94/69/54/563946954.db2.gz PAMNFBZHVCSPIZ-UHFFFAOYSA-N 1 2 343.427 3.517 50 0 EHAALO CC(C)Oc1ccc(Cl)cc1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000060372067 563949160 /nfs/dbraw/zinc/94/91/60/563949160.db2.gz BNDOZZNRTACXOI-UHFFFAOYSA-N 1 2 347.846 3.590 50 0 EHAALO FC(F)(F)c1cccc(C[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c1 ZINC000065405809 563960086 /nfs/dbraw/zinc/96/00/86/563960086.db2.gz BEQFOGJUESVQGW-QGZVFWFLSA-N 1 2 336.357 3.544 50 0 EHAALO FC(F)(F)c1cccc(C[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c1 ZINC000065405809 563960088 /nfs/dbraw/zinc/96/00/88/563960088.db2.gz BEQFOGJUESVQGW-QGZVFWFLSA-N 1 2 336.357 3.544 50 0 EHAALO O=C(C[C@@H](c1ccco1)c1ccccc1)NCc1c[nH+]c2ccccn12 ZINC000065462634 563961262 /nfs/dbraw/zinc/96/12/62/563961262.db2.gz DQNMIIWBTHTRHS-GOSISDBHSA-N 1 2 345.402 3.766 50 0 EHAALO CCn1cc[nH+]c1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066850974 563962213 /nfs/dbraw/zinc/96/22/13/563962213.db2.gz BAFWYWOGVDDYGC-HNNXBMFYSA-N 1 2 340.254 3.783 50 0 EHAALO CCN(CC(C)(C)C)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067714303 563962540 /nfs/dbraw/zinc/96/25/40/563962540.db2.gz VZTXUIWCXFXCNI-UHFFFAOYSA-N 1 2 343.471 3.815 50 0 EHAALO CCN(CC(C)(C)C)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067714303 563962541 /nfs/dbraw/zinc/96/25/41/563962541.db2.gz VZTXUIWCXFXCNI-UHFFFAOYSA-N 1 2 343.471 3.815 50 0 EHAALO CCCn1cc[nH+]c1CN1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067805860 563962798 /nfs/dbraw/zinc/96/27/98/563962798.db2.gz JRCDFRADYXAZRA-UHFFFAOYSA-N 1 2 340.402 3.646 50 0 EHAALO O=C(C[NH+]1CCCC1)Nc1c2cc(Cl)ccc2oc1C(=O)C1CC1 ZINC000000034766 563967853 /nfs/dbraw/zinc/96/78/53/563967853.db2.gz PURNXEFPLABWPT-UHFFFAOYSA-N 1 2 346.814 3.713 50 0 EHAALO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000082096791 563972137 /nfs/dbraw/zinc/97/21/37/563972137.db2.gz AUZFGCZMJYTNOP-LBPRGKRZSA-N 1 2 338.238 3.747 50 0 EHAALO Cc1csc(C2([NH2+]Cc3nnc(C4CC4)n3C3CC3)CCCC2)n1 ZINC000125908436 563973288 /nfs/dbraw/zinc/97/32/88/563973288.db2.gz HBQQGKMRSFDGKD-UHFFFAOYSA-N 1 2 343.500 3.814 50 0 EHAALO O=C(c1ccc(Cl)cc1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095359065 563976766 /nfs/dbraw/zinc/97/67/66/563976766.db2.gz YKUCYOIYGIMTJC-UHFFFAOYSA-N 1 2 343.858 3.966 50 0 EHAALO O=C(C[C@H](c1ccco1)c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000095513193 563977260 /nfs/dbraw/zinc/97/72/60/563977260.db2.gz YFMOLWXGDZSOCN-SFHVURJKSA-N 1 2 349.434 3.931 50 0 EHAALO CC(C)c1[nH]c2ccc(NC(=O)N3CC(c4ccccn4)C3)cc2[nH+]1 ZINC000096165793 563979970 /nfs/dbraw/zinc/97/99/70/563979970.db2.gz ABVYOEABQPUOFC-UHFFFAOYSA-N 1 2 335.411 3.713 50 0 EHAALO Cc1nn(C(C)C)c(C)c1NC(=O)NCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000097173278 563981339 /nfs/dbraw/zinc/98/13/39/563981339.db2.gz GSLBKZQALNLSAK-UHFFFAOYSA-N 1 2 340.431 3.587 50 0 EHAALO Cc1nn(C(C)C)c(C)c1NC(=O)NCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000097173278 563981340 /nfs/dbraw/zinc/98/13/40/563981340.db2.gz GSLBKZQALNLSAK-UHFFFAOYSA-N 1 2 340.431 3.587 50 0 EHAALO Cc1cc([C@H]2CCCC[N@@H+]2Cc2cnc(N3CCCC3)s2)no1 ZINC000097655554 563981740 /nfs/dbraw/zinc/98/17/40/563981740.db2.gz AFJISPRZGCRBKV-MRXNPFEDSA-N 1 2 332.473 3.767 50 0 EHAALO Cc1cc([C@H]2CCCC[N@H+]2Cc2cnc(N3CCCC3)s2)no1 ZINC000097655554 563981741 /nfs/dbraw/zinc/98/17/41/563981741.db2.gz AFJISPRZGCRBKV-MRXNPFEDSA-N 1 2 332.473 3.767 50 0 EHAALO COc1cc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000097775747 563981867 /nfs/dbraw/zinc/98/18/67/563981867.db2.gz BXCOCXDWDXYSEV-INIZCTEOSA-N 1 2 331.387 3.799 50 0 EHAALO COc1cc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000097775747 563981868 /nfs/dbraw/zinc/98/18/68/563981868.db2.gz BXCOCXDWDXYSEV-INIZCTEOSA-N 1 2 331.387 3.799 50 0 EHAALO C[C@H](CCc1ccccc1)NC(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000005261929 564001648 /nfs/dbraw/zinc/00/16/48/564001648.db2.gz UXIKEJWUOWUPNY-MRXNPFEDSA-N 1 2 344.886 3.909 50 0 EHAALO C[C@H](CCc1ccccc1)NC(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000005261929 564001649 /nfs/dbraw/zinc/00/16/49/564001649.db2.gz UXIKEJWUOWUPNY-MRXNPFEDSA-N 1 2 344.886 3.909 50 0 EHAALO Cc1nnc([C@@H](C)[N@@H+]2CCc3sc(-c4csc(C)n4)cc3C2)o1 ZINC000180881629 564013633 /nfs/dbraw/zinc/01/36/33/564013633.db2.gz HIZZSQDULBGHMB-SECBINFHSA-N 1 2 346.481 3.991 50 0 EHAALO Cc1nnc([C@@H](C)[N@H+]2CCc3sc(-c4csc(C)n4)cc3C2)o1 ZINC000180881629 564013634 /nfs/dbraw/zinc/01/36/34/564013634.db2.gz HIZZSQDULBGHMB-SECBINFHSA-N 1 2 346.481 3.991 50 0 EHAALO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-c2ccsc2)cc1 ZINC000206826169 564015102 /nfs/dbraw/zinc/01/51/02/564015102.db2.gz ZAMPAHMQSPQOIF-SFHVURJKSA-N 1 2 349.459 3.819 50 0 EHAALO C[C@@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)C1 ZINC000000536022 564022130 /nfs/dbraw/zinc/02/21/30/564022130.db2.gz ZEOJNTJQBFWIBL-GFCCVEGCSA-N 1 2 327.819 3.705 50 0 EHAALO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(-n2cccc2)cc1 ZINC000046106100 564029582 /nfs/dbraw/zinc/02/95/82/564029582.db2.gz IWBNUASLBCWSHU-UHFFFAOYSA-N 1 2 328.375 3.915 50 0 EHAALO S=c1n(C2CC2)cnn1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000048365781 564031478 /nfs/dbraw/zinc/03/14/78/564031478.db2.gz PBFQRBATENWIGN-KRWDZBQOSA-N 1 2 326.469 3.858 50 0 EHAALO S=c1n(C2CC2)cnn1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000048365781 564031479 /nfs/dbraw/zinc/03/14/79/564031479.db2.gz PBFQRBATENWIGN-KRWDZBQOSA-N 1 2 326.469 3.858 50 0 EHAALO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccc([C@H]2CCOC2)c1 ZINC000341661268 564033186 /nfs/dbraw/zinc/03/31/86/564033186.db2.gz MOTRWMPDKQGVHZ-KRWDZBQOSA-N 1 2 333.391 3.629 50 0 EHAALO O=C(N1CCC[C@@H](c2ccc(Cl)cc2)C1)C1(Cn2cc[nH+]c2)CC1 ZINC000223931014 564041183 /nfs/dbraw/zinc/04/11/83/564041183.db2.gz YSMYUNLNNJYPNO-MRXNPFEDSA-N 1 2 343.858 3.723 50 0 EHAALO CCCCCCOc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000003640185 564060103 /nfs/dbraw/zinc/06/01/03/564060103.db2.gz RQKFJTVPKPANMY-UHFFFAOYSA-N 1 2 329.444 3.662 50 0 EHAALO CCCC[C@@H]1C=CCN1C(=O)c1cccc(-c2ccc(NC)[nH+]c2)c1 ZINC000534634135 564061331 /nfs/dbraw/zinc/06/13/31/564061331.db2.gz NUAXPBRPFYYLNV-LJQANCHMSA-N 1 2 335.451 3.783 50 0 EHAALO COC(=O)c1oc(C[NH2+]C2(c3nc(C)cs3)CCCC2)cc1C ZINC000083216024 564062054 /nfs/dbraw/zinc/06/20/54/564062054.db2.gz OGQVUZKYXFMGFU-UHFFFAOYSA-N 1 2 334.441 3.699 50 0 EHAALO CC[N@H+](Cc1nnc(C)n1C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000084777609 564070133 /nfs/dbraw/zinc/07/01/33/564070133.db2.gz VRTQFSJRMSMULO-FQEVSTJZSA-N 1 2 338.430 3.874 50 0 EHAALO CC[N@@H+](Cc1nnc(C)n1C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000084777609 564070134 /nfs/dbraw/zinc/07/01/34/564070134.db2.gz VRTQFSJRMSMULO-FQEVSTJZSA-N 1 2 338.430 3.874 50 0 EHAALO CCCCOc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000015880104 564077354 /nfs/dbraw/zinc/07/73/54/564077354.db2.gz WAHIQNTWRHRICO-UHFFFAOYSA-N 1 2 345.468 3.562 50 0 EHAALO CCCCOc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000015880104 564077355 /nfs/dbraw/zinc/07/73/55/564077355.db2.gz WAHIQNTWRHRICO-UHFFFAOYSA-N 1 2 345.468 3.562 50 0 EHAALO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc(Br)o1 ZINC000074893000 564079570 /nfs/dbraw/zinc/07/95/70/564079570.db2.gz UXUSIIZRWDPAED-UHFFFAOYSA-N 1 2 332.157 3.685 50 0 EHAALO COc1ncccc1C(=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575619794 564083825 /nfs/dbraw/zinc/08/38/25/564083825.db2.gz LVHNDCIKGZPFEV-UHFFFAOYSA-N 1 2 348.406 3.542 50 0 EHAALO COc1ccc([C@@H]2CC(=O)[C@H](C)[C@@H](c3ccc(OC)cc3)[NH2+]2)cc1 ZINC000055433730 564084345 /nfs/dbraw/zinc/08/43/45/564084345.db2.gz LUPLWIXSMMGDLK-GMVOTWDCSA-N 1 2 325.408 3.685 50 0 EHAALO Cc1ccc2[nH+]c(CNC(=O)N3CCC[C@H]3CC(C)(C)C)cn2c1 ZINC000064225835 564085500 /nfs/dbraw/zinc/08/55/00/564085500.db2.gz ZRTGEUOIUUZHSM-INIZCTEOSA-N 1 2 328.460 3.753 50 0 EHAALO Cc1c[nH+]ccc1NC(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192418774 564090134 /nfs/dbraw/zinc/09/01/34/564090134.db2.gz IIYBDYNOWNGEEZ-UHFFFAOYSA-N 1 2 345.830 3.559 50 0 EHAALO CCS[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000267400795 564093294 /nfs/dbraw/zinc/09/32/94/564093294.db2.gz MWLDAEHPVTXUPM-QZTJIDSGSA-N 1 2 343.496 3.726 50 0 EHAALO CCCN(C)C(=O)c1c(C)oc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000065291966 564104685 /nfs/dbraw/zinc/10/46/85/564104685.db2.gz TVOCBUVQJFOLKA-UHFFFAOYSA-N 1 2 344.430 3.767 50 0 EHAALO CCCN(C)C(=O)c1c(C)oc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000065291966 564104686 /nfs/dbraw/zinc/10/46/86/564104686.db2.gz TVOCBUVQJFOLKA-UHFFFAOYSA-N 1 2 344.430 3.767 50 0 EHAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1cccc(F)c1F ZINC000065427248 564105882 /nfs/dbraw/zinc/10/58/82/564105882.db2.gz QVNMYNNAVPZRTL-UHFFFAOYSA-N 1 2 342.349 3.531 50 0 EHAALO CCOC(=O)c1csc([C@H]2CCCN2c2cc[nH+]c(C(C)C)n2)n1 ZINC000170611261 564109807 /nfs/dbraw/zinc/10/98/07/564109807.db2.gz GOCFEVPWYDGYKI-CYBMUJFWSA-N 1 2 346.456 3.575 50 0 EHAALO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000089828079 564114118 /nfs/dbraw/zinc/11/41/18/564114118.db2.gz UFHORHFOYKEGFN-GOSISDBHSA-N 1 2 346.434 3.677 50 0 EHAALO COc1ccc2[nH+]c(C)cc(OCC(=O)NCC3CCCCC3)c2c1 ZINC000007738722 564122499 /nfs/dbraw/zinc/12/24/99/564122499.db2.gz UPTVTWLOLCTXHF-UHFFFAOYSA-N 1 2 342.439 3.627 50 0 EHAALO C[C@@H](NC(=O)CCCc1nccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000253404189 564130619 /nfs/dbraw/zinc/13/06/19/564130619.db2.gz HOMUYRJWBDWQOB-CQSZACIVSA-N 1 2 340.452 3.529 50 0 EHAALO C[C@H](c1cccnc1)[N@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000093226603 564137290 /nfs/dbraw/zinc/13/72/90/564137290.db2.gz RFQDEWWNQAGWDZ-GFCCVEGCSA-N 1 2 328.803 3.978 50 0 EHAALO C[C@H](c1cccnc1)[N@@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000093226603 564137291 /nfs/dbraw/zinc/13/72/91/564137291.db2.gz RFQDEWWNQAGWDZ-GFCCVEGCSA-N 1 2 328.803 3.978 50 0 EHAALO O[C@H](Cn1cc[nH+]c1-c1ccncc1)c1cccc(C(F)(F)F)c1 ZINC000095404042 564139546 /nfs/dbraw/zinc/13/95/46/564139546.db2.gz FTGUZHRTSFTBBX-OAHLLOKOSA-N 1 2 333.313 3.698 50 0 EHAALO Cc1[nH+]c2ccccc2n1C1CCN(c2nc(C(C)C)no2)CC1 ZINC000280105995 564141724 /nfs/dbraw/zinc/14/17/24/564141724.db2.gz BIYWHCCPUGAKON-UHFFFAOYSA-N 1 2 325.416 3.693 50 0 EHAALO Cc1ccc(NC(=O)N2CCc3c([nH+]cn3C3CC3)C2)c(Cl)c1 ZINC000095942362 564142080 /nfs/dbraw/zinc/14/20/80/564142080.db2.gz UVMMMBNYBJENGR-UHFFFAOYSA-N 1 2 330.819 3.770 50 0 EHAALO Cc1ccc(OCCCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000095963033 564142822 /nfs/dbraw/zinc/14/28/22/564142822.db2.gz DIROLNFGMOLFJP-QGZVFWFLSA-N 1 2 341.455 3.592 50 0 EHAALO Cc1cc[nH]c(=O)c1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000095996847 564144307 /nfs/dbraw/zinc/14/43/07/564144307.db2.gz DGGVWUOGZWYRGI-UHFFFAOYSA-N 1 2 348.406 3.548 50 0 EHAALO C[N@H+](CCSc1ccccc1)Cc1nccn1CC(F)(F)F ZINC000096410326 564147614 /nfs/dbraw/zinc/14/76/14/564147614.db2.gz FNWSFPVBQBNBEC-UHFFFAOYSA-N 1 2 329.391 3.670 50 0 EHAALO C[N@@H+](CCSc1ccccc1)Cc1nccn1CC(F)(F)F ZINC000096410326 564147615 /nfs/dbraw/zinc/14/76/15/564147615.db2.gz FNWSFPVBQBNBEC-UHFFFAOYSA-N 1 2 329.391 3.670 50 0 EHAALO CC[C@@H](C)[C@H](C(=O)NCCc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000096408413 564147512 /nfs/dbraw/zinc/14/75/12/564147512.db2.gz QJGFMYVONKZVLJ-CJNGLKHVSA-N 1 2 335.398 3.767 50 0 EHAALO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1nnc(-c2cccs2)o1 ZINC000096491025 564148754 /nfs/dbraw/zinc/14/87/54/564148754.db2.gz RVONEXDQUMMNEQ-SNVBAGLBSA-N 1 2 333.388 3.797 50 0 EHAALO CC1CCC(N(C(=O)CSc2[nH+]cc3ccccn32)C2CC2)CC1 ZINC000097262233 564149614 /nfs/dbraw/zinc/14/96/14/564149614.db2.gz ORQJFOAPYFWMTG-UHFFFAOYSA-N 1 2 343.496 3.996 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2[nH+]cc3ccccn32)c1C ZINC000008705711 564166464 /nfs/dbraw/zinc/16/64/64/564166464.db2.gz YOTFQQJWNUHYLC-ZDUSSCGKSA-N 1 2 341.436 3.845 50 0 EHAALO COc1ccc([C@H](NC(=O)c2cc(C)cc(C)c2)c2[nH+]ccn2C)cc1 ZINC000009337917 564172737 /nfs/dbraw/zinc/17/27/37/564172737.db2.gz LNJPXPCKLAFROI-IBGZPJMESA-N 1 2 349.434 3.565 50 0 EHAALO O=C(/C=C\c1cccs1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033409506 1122691049 /nfs/dbraw/zinc/69/10/49/1122691049.db2.gz UGGYTTRVSNBPIG-HBPBTQBCSA-N 1 2 338.476 3.619 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1C[C@H]1CCCN(C(=O)NC(C)C)C1 ZINC000581807757 1132370952 /nfs/dbraw/zinc/37/09/52/1132370952.db2.gz RLWPLGWHDYWVNW-KRWDZBQOSA-N 1 2 340.471 3.689 50 0 EHAALO CCS[C@H]1CCCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000585131626 1137021113 /nfs/dbraw/zinc/02/11/13/1137021113.db2.gz BANBTLRGXZGWED-STQMWFEESA-N 1 2 349.422 3.511 50 0 EHAALO CC[N@H+](C)[C@H](C)c1nc(COc2cccc(OC)c2)nn1C(C)(C)C ZINC000952860103 1137482763 /nfs/dbraw/zinc/48/27/63/1137482763.db2.gz DUJKGWCRZOAMHD-CQSZACIVSA-N 1 2 346.475 3.633 50 0 EHAALO CC[N@@H+](C)[C@H](C)c1nc(COc2cccc(OC)c2)nn1C(C)(C)C ZINC000952860103 1137482764 /nfs/dbraw/zinc/48/27/64/1137482764.db2.gz DUJKGWCRZOAMHD-CQSZACIVSA-N 1 2 346.475 3.633 50 0 EHAALO C[N@H+](CC(=O)Nc1ccc2scnc2c1)Cc1ccc(F)cc1 ZINC000952980389 1137484674 /nfs/dbraw/zinc/48/46/74/1137484674.db2.gz KNIVBWYMBMXMDW-UHFFFAOYSA-N 1 2 329.400 3.506 50 0 EHAALO C[N@@H+](CC(=O)Nc1ccc2scnc2c1)Cc1ccc(F)cc1 ZINC000952980389 1137484676 /nfs/dbraw/zinc/48/46/76/1137484676.db2.gz KNIVBWYMBMXMDW-UHFFFAOYSA-N 1 2 329.400 3.506 50 0 EHAALO c1csc(-c2ncc(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)cn2)c1 ZINC000952978981 1137484792 /nfs/dbraw/zinc/48/47/92/1137484792.db2.gz MKPWOSAEEAWZLL-QGZVFWFLSA-N 1 2 337.448 3.779 50 0 EHAALO c1csc(-c2ncc(C[N@H+]3CCO[C@@H](c4ccccc4)C3)cn2)c1 ZINC000952978981 1137484793 /nfs/dbraw/zinc/48/47/93/1137484793.db2.gz MKPWOSAEEAWZLL-QGZVFWFLSA-N 1 2 337.448 3.779 50 0 EHAALO Cc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2ccccc2Cl)o1 ZINC000052162719 214120854 /nfs/dbraw/zinc/12/08/54/214120854.db2.gz LZDNBFVYQZANTC-CQSZACIVSA-N 1 2 334.847 3.893 50 0 EHAALO Cc1ccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2ccccc2Cl)o1 ZINC000052162719 214120857 /nfs/dbraw/zinc/12/08/57/214120857.db2.gz LZDNBFVYQZANTC-CQSZACIVSA-N 1 2 334.847 3.893 50 0 EHAALO O=C(N[C@H](Nc1cccc[nH+]1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000019792352 202020620 /nfs/dbraw/zinc/02/06/20/202020620.db2.gz PZMOFOSHQAISFK-ZDUSSCGKSA-N 1 2 344.629 3.620 50 0 EHAALO O=C(c1cc(C2CC2)nc2ccccc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069661888 215525202 /nfs/dbraw/zinc/52/52/02/215525202.db2.gz MYHVZWJLWNLYLQ-INIZCTEOSA-N 1 2 346.434 3.786 50 0 EHAALO O=C(CCC1CCCC1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000019831343 202022590 /nfs/dbraw/zinc/02/25/90/202022590.db2.gz DPOMLJFWUJHPDA-UHFFFAOYSA-N 1 2 334.891 3.955 50 0 EHAALO Cc1ccccc1CN1c2ccccc2[N@@H+](CC(=O)c2ccco2)C1=N ZINC000019939803 202027867 /nfs/dbraw/zinc/02/78/67/202027867.db2.gz IWZAWDBGSOOYHR-UHFFFAOYSA-N 1 2 345.402 3.755 50 0 EHAALO Cc1ccccc1CN1c2ccccc2[N@H+](CC(=O)c2ccco2)C1=N ZINC000019939803 202027871 /nfs/dbraw/zinc/02/78/71/202027871.db2.gz IWZAWDBGSOOYHR-UHFFFAOYSA-N 1 2 345.402 3.755 50 0 EHAALO c1coc(C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000020530491 202047406 /nfs/dbraw/zinc/04/74/06/202047406.db2.gz GRBFXYQQTAPTLC-UHFFFAOYSA-N 1 2 339.464 3.721 50 0 EHAALO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)cc1 ZINC000020861051 202056344 /nfs/dbraw/zinc/05/63/44/202056344.db2.gz XGMHKSCMMZQMIY-MRXNPFEDSA-N 1 2 325.456 3.802 50 0 EHAALO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)cc1 ZINC000020861051 202056346 /nfs/dbraw/zinc/05/63/46/202056346.db2.gz XGMHKSCMMZQMIY-MRXNPFEDSA-N 1 2 325.456 3.802 50 0 EHAALO Cc1c2ccccc2sc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000023609306 202105849 /nfs/dbraw/zinc/10/58/49/202105849.db2.gz CZMVCIWTKYSXMV-UHFFFAOYSA-N 1 2 343.477 3.906 50 0 EHAALO Cc1c2ccccc2sc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000023609306 202105851 /nfs/dbraw/zinc/10/58/51/202105851.db2.gz CZMVCIWTKYSXMV-UHFFFAOYSA-N 1 2 343.477 3.906 50 0 EHAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1cccc(OC(F)F)c1 ZINC000025263789 202128437 /nfs/dbraw/zinc/12/84/37/202128437.db2.gz QAJKFYPAGYREJZ-UHFFFAOYSA-N 1 2 343.333 3.785 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1Cl)c1ccccc1F ZINC000026884905 202149608 /nfs/dbraw/zinc/14/96/08/202149608.db2.gz INIQYVMJCXTEDH-MRXNPFEDSA-N 1 2 343.789 3.732 50 0 EHAALO C[C@@H](NC(=O)NCCc1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000029655666 202190527 /nfs/dbraw/zinc/19/05/27/202190527.db2.gz LZBLPABNWIZNCT-CQSZACIVSA-N 1 2 340.452 3.537 50 0 EHAALO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000030005519 202192110 /nfs/dbraw/zinc/19/21/10/202192110.db2.gz UNKOWESFRCHFJT-CYBMUJFWSA-N 1 2 333.391 3.862 50 0 EHAALO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000030005519 202192112 /nfs/dbraw/zinc/19/21/12/202192112.db2.gz UNKOWESFRCHFJT-CYBMUJFWSA-N 1 2 333.391 3.862 50 0 EHAALO COc1cccc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)c1OC ZINC000032863634 202238357 /nfs/dbraw/zinc/23/83/57/202238357.db2.gz FDBXZSZSUBFXTL-UHFFFAOYSA-N 1 2 337.423 3.522 50 0 EHAALO COc1cccc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c1OC ZINC000032863634 202238359 /nfs/dbraw/zinc/23/83/59/202238359.db2.gz FDBXZSZSUBFXTL-UHFFFAOYSA-N 1 2 337.423 3.522 50 0 EHAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)c3ccccc3)cc12 ZINC000033084520 202249112 /nfs/dbraw/zinc/24/91/12/202249112.db2.gz QIJLPPNZYSWQGQ-UHFFFAOYSA-N 1 2 347.418 3.632 50 0 EHAALO Cc1nnc(C[NH+]2CCC(c3ccccc3Br)CC2)o1 ZINC000189814329 237276855 /nfs/dbraw/zinc/27/68/55/237276855.db2.gz RODHYXOXORSXSM-UHFFFAOYSA-N 1 2 336.233 3.520 50 0 EHAALO Cc1csc([C@H]2C[N@H+](Cc3cc(F)cc4cccnc43)CCO2)n1 ZINC000065466655 201154410 /nfs/dbraw/zinc/15/44/10/201154410.db2.gz QSFYPFIRVUENMA-MRXNPFEDSA-N 1 2 343.427 3.712 50 0 EHAALO Cc1csc([C@H]2C[N@@H+](Cc3cc(F)cc4cccnc43)CCO2)n1 ZINC000065466655 201154413 /nfs/dbraw/zinc/15/44/13/201154413.db2.gz QSFYPFIRVUENMA-MRXNPFEDSA-N 1 2 343.427 3.712 50 0 EHAALO CC(C)CN1c2ccccc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000020064193 201370068 /nfs/dbraw/zinc/37/00/68/201370068.db2.gz WRGXJPCXSIZTML-JOCHJYFZSA-N 1 2 345.446 3.560 50 0 biogenic EHAALO C[C@@H](C(=O)NCc1cc(F)ccc1F)n1cc[nH+]c1-c1ccccc1 ZINC000151179936 201391411 /nfs/dbraw/zinc/39/14/11/201391411.db2.gz KKAOBCKZBFFVST-ZDUSSCGKSA-N 1 2 341.361 3.706 50 0 EHAALO CCOC(=O)c1c(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)oc2ccccc21 ZINC000230186284 242245237 /nfs/dbraw/zinc/24/52/37/242245237.db2.gz IASAEEYNPIUAJF-WBVHZDCISA-N 1 2 343.423 3.753 50 0 EHAALO CCOC(=O)c1c(C[N@H+]2CCO[C@H]3CCCC[C@H]32)oc2ccccc21 ZINC000230186284 242245239 /nfs/dbraw/zinc/24/52/39/242245239.db2.gz IASAEEYNPIUAJF-WBVHZDCISA-N 1 2 343.423 3.753 50 0 EHAALO C[NH+](C)[C@@H](Cc1cc(Cl)cc2c1OCOC2)C(=O)c1ccccc1 ZINC000003282731 201564035 /nfs/dbraw/zinc/56/40/35/201564035.db2.gz OZVLLKXMOMFXHX-KRWDZBQOSA-N 1 2 345.826 3.562 50 0 EHAALO c1sc(-c2ncccn2)nc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000069509221 203010527 /nfs/dbraw/zinc/01/05/27/203010527.db2.gz QWKXBNISBAIVSX-UHFFFAOYSA-N 1 2 334.448 3.889 50 0 EHAALO c1sc(-c2ncccn2)nc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000069509221 203010528 /nfs/dbraw/zinc/01/05/28/203010528.db2.gz QWKXBNISBAIVSX-UHFFFAOYSA-N 1 2 334.448 3.889 50 0 EHAALO CSc1ccsc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000069532436 203015694 /nfs/dbraw/zinc/01/56/94/203015694.db2.gz APXCDCTVQZKJLA-UHFFFAOYSA-N 1 2 347.509 3.785 50 0 EHAALO Cc1oc(-c2ccsc2)nc1CSc1[nH+]cnc2c1cnn2C ZINC000069561746 203018248 /nfs/dbraw/zinc/01/82/48/203018248.db2.gz RPEIAXAIERQKEA-UHFFFAOYSA-N 1 2 343.437 3.681 50 0 EHAALO C[C@H](c1ncc(-c2ccccc2)o1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000069968142 203066733 /nfs/dbraw/zinc/06/67/33/203066733.db2.gz YZBGXEAACBEBIP-QGZVFWFLSA-N 1 2 348.450 3.615 50 0 EHAALO CCOc1cc2c(cc1-c1[nH+]ccn1Cc1csc(N)n1)CCC2 ZINC000071681615 203102285 /nfs/dbraw/zinc/10/22/85/203102285.db2.gz KEFJTWREOVVTSO-UHFFFAOYSA-N 1 2 340.452 3.525 50 0 EHAALO Cc1nc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)oc1C ZINC000071824666 203119873 /nfs/dbraw/zinc/11/98/73/203119873.db2.gz WBIBYZCGHOVHOF-MRXNPFEDSA-N 1 2 328.412 3.790 50 0 EHAALO Cc1nc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)oc1C ZINC000071824666 203119876 /nfs/dbraw/zinc/11/98/76/203119876.db2.gz WBIBYZCGHOVHOF-MRXNPFEDSA-N 1 2 328.412 3.790 50 0 EHAALO Cc1ccc([C@H](C)CC[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)o1 ZINC000072149455 203171259 /nfs/dbraw/zinc/17/12/59/203171259.db2.gz LQJNGBXVSZGVHG-OAHLLOKOSA-N 1 2 344.430 3.565 50 0 EHAALO Cc1ccc([C@H](C)CC[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)o1 ZINC000072149455 203171263 /nfs/dbraw/zinc/17/12/63/203171263.db2.gz LQJNGBXVSZGVHG-OAHLLOKOSA-N 1 2 344.430 3.565 50 0 EHAALO Cn1nc(C[N@@H+]2CCC[C@H]2c2ccccn2)c2c1cccc2Cl ZINC000072154882 203174787 /nfs/dbraw/zinc/17/47/87/203174787.db2.gz HVLLLQASJPSXPO-INIZCTEOSA-N 1 2 326.831 3.959 50 0 EHAALO Cn1nc(C[N@H+]2CCC[C@H]2c2ccccn2)c2c1cccc2Cl ZINC000072154882 203174790 /nfs/dbraw/zinc/17/47/90/203174790.db2.gz HVLLLQASJPSXPO-INIZCTEOSA-N 1 2 326.831 3.959 50 0 EHAALO Cc1nc(C[N@@H+]2CCC[C@@H](C(=O)CCc3ccccc3)C2)cs1 ZINC000072158102 203176742 /nfs/dbraw/zinc/17/67/42/203176742.db2.gz LEUMMZJLDNUCOY-QGZVFWFLSA-N 1 2 328.481 3.865 50 0 EHAALO Cc1nc(C[N@H+]2CCC[C@@H](C(=O)CCc3ccccc3)C2)cs1 ZINC000072158102 203176745 /nfs/dbraw/zinc/17/67/45/203176745.db2.gz LEUMMZJLDNUCOY-QGZVFWFLSA-N 1 2 328.481 3.865 50 0 EHAALO Cc1[nH+]ccn1[C@H](C)C(=O)N(C)Cc1csc(-c2ccccc2)n1 ZINC000072432339 203223647 /nfs/dbraw/zinc/22/36/47/203223647.db2.gz QNIWJZYYOQWCKT-CYBMUJFWSA-N 1 2 340.452 3.535 50 0 EHAALO Cc1cc(C[S@@](=O)Cc2cn3cccc(C)c3[nH+]2)c2ccccc2n1 ZINC000083953322 203521900 /nfs/dbraw/zinc/52/19/00/203521900.db2.gz PZBUOFUHYIJCDP-VWLOTQADSA-N 1 2 349.459 3.948 50 0 EHAALO O=C(Cc1ccc(F)cc1)Nc1cccc2ccc(-n3cc[nH+]c3)nc21 ZINC000049028055 204363168 /nfs/dbraw/zinc/36/31/68/204363168.db2.gz TVVURBCYSTVAKX-UHFFFAOYSA-N 1 2 346.365 3.741 50 0 EHAALO CC(=O)Nc1cc(NCc2ccc(N3CCCC3)[nH+]c2)ccc1Cl ZINC000095447304 218391279 /nfs/dbraw/zinc/39/12/79/218391279.db2.gz FZRFPCMELNSKJL-UHFFFAOYSA-N 1 2 344.846 3.906 50 0 EHAALO COCc1noc([C@@H](C)[N@H+]2CC=C(c3cccc(Cl)c3)CC2)n1 ZINC000280280851 258014265 /nfs/dbraw/zinc/01/42/65/258014265.db2.gz SHYCWACJTWELST-GFCCVEGCSA-N 1 2 333.819 3.720 50 0 EHAALO COCc1noc([C@@H](C)[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)n1 ZINC000280280851 258014267 /nfs/dbraw/zinc/01/42/67/258014267.db2.gz SHYCWACJTWELST-GFCCVEGCSA-N 1 2 333.819 3.720 50 0 EHAALO COc1ccccc1N1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000055292385 132194739 /nfs/dbraw/zinc/19/47/39/132194739.db2.gz GYANLPFLRDPZDK-UHFFFAOYSA-N 1 2 334.822 3.810 50 0 EHAALO Cc1cccc(N2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)c1C ZINC000057312262 132199321 /nfs/dbraw/zinc/19/93/21/132199321.db2.gz IFTJKUWWLOKTEY-UHFFFAOYSA-N 1 2 348.450 3.676 50 0 EHAALO Cn1cc[nH+]c1CNc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2 ZINC000089662283 135641880 /nfs/dbraw/zinc/64/18/80/135641880.db2.gz OZFKCYGGVWXUMN-UHFFFAOYSA-N 1 2 342.443 3.720 50 0 EHAALO CC(C)[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1F ZINC000184002878 529104090 /nfs/dbraw/zinc/10/40/90/529104090.db2.gz KAELZGKMATYBOS-PXAZEXFGSA-N 1 2 349.837 3.752 50 0 EHAALO COc1ccc(Nc2[nH+]cnc3c2cnn3Cc2ccc(C)cc2)cc1 ZINC000000521615 563340652 /nfs/dbraw/zinc/34/06/52/563340652.db2.gz ILHBJVKKKDPCDD-UHFFFAOYSA-N 1 2 345.406 3.935 50 0 EHAALO Cc1cccn2cc(-c3ccc(I)cc3)[nH+]c12 ZINC000004237829 563498493 /nfs/dbraw/zinc/49/84/93/563498493.db2.gz QEKUPVIDHZZAAK-UHFFFAOYSA-N 1 2 334.160 3.914 50 0 EHAALO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2scnc2C2CC2)CC1 ZINC000097378487 563612389 /nfs/dbraw/zinc/61/23/89/563612389.db2.gz BRFUGQVNRFDIFA-LBPRGKRZSA-N 1 2 347.509 3.601 50 0 EHAALO CCn1ccc2ccc(NC(=O)NCc3cn4c([nH+]3)CCCC4)cc21 ZINC000071920095 563623989 /nfs/dbraw/zinc/62/39/89/563623989.db2.gz QBCJNIIZOSAVBU-UHFFFAOYSA-N 1 2 337.427 3.516 50 0 EHAALO OCCc1[nH+]c2ccccc2n1CCCOc1ccccc1Cl ZINC000008786156 563640004 /nfs/dbraw/zinc/64/00/04/563640004.db2.gz IUMBHUGRPPTNQK-UHFFFAOYSA-N 1 2 330.815 3.694 50 0 EHAALO Cc1oc(-c2ccc(F)cc2)nc1C[N@H+](CCO)Cc1cccs1 ZINC000011774762 563650865 /nfs/dbraw/zinc/65/08/65/563650865.db2.gz JUNNSOVTLCQWLU-UHFFFAOYSA-N 1 2 346.427 3.845 50 0 EHAALO Cc1oc(-c2ccc(F)cc2)nc1C[N@@H+](CCO)Cc1cccs1 ZINC000011774762 563650867 /nfs/dbraw/zinc/65/08/67/563650867.db2.gz JUNNSOVTLCQWLU-UHFFFAOYSA-N 1 2 346.427 3.845 50 0 EHAALO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4ncc[nH]4)C3)ccc2c1 ZINC000012305396 563657751 /nfs/dbraw/zinc/65/77/51/563657751.db2.gz AJQLGIVUWISQPO-SFHVURJKSA-N 1 2 349.434 3.666 50 0 EHAALO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)ccc2c1 ZINC000012305396 563657754 /nfs/dbraw/zinc/65/77/54/563657754.db2.gz AJQLGIVUWISQPO-SFHVURJKSA-N 1 2 349.434 3.666 50 0 EHAALO COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4[nH]cc[nH+]4)C3)ccc2c1 ZINC000012305396 563657758 /nfs/dbraw/zinc/65/77/58/563657758.db2.gz AJQLGIVUWISQPO-SFHVURJKSA-N 1 2 349.434 3.666 50 0 EHAALO CC(C)Cc1cc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)n[nH]1 ZINC000012317413 563658047 /nfs/dbraw/zinc/65/80/47/563658047.db2.gz PYMAMWUTSOSXMY-OAHLLOKOSA-N 1 2 348.441 3.963 50 0 EHAALO CC(C)Cc1cc(C[N@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)n[nH]1 ZINC000012317413 563658050 /nfs/dbraw/zinc/65/80/50/563658050.db2.gz PYMAMWUTSOSXMY-OAHLLOKOSA-N 1 2 348.441 3.963 50 0 EHAALO Cc1ccc([C@H]([NH2+][C@@H](C(N)=O)c2ccccc2)c2ccccc2)cc1 ZINC000012981809 563681601 /nfs/dbraw/zinc/68/16/01/563681601.db2.gz HYRDOQAHVODSKV-NHCUHLMSSA-N 1 2 330.431 3.901 50 0 EHAALO Cc1ccc([C@H]([NH2+][C@H](C(N)=O)c2ccccc2)c2ccccc2)cc1 ZINC000012981812 563681619 /nfs/dbraw/zinc/68/16/19/563681619.db2.gz HYRDOQAHVODSKV-RTWAWAEBSA-N 1 2 330.431 3.901 50 0 EHAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccccc3F)n2)C1 ZINC000014116596 563742506 /nfs/dbraw/zinc/74/25/06/563742506.db2.gz WNRXPEXZKDKCEU-LBPRGKRZSA-N 1 2 333.432 3.766 50 0 EHAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccccc3F)n2)C1 ZINC000014116596 563742510 /nfs/dbraw/zinc/74/25/10/563742510.db2.gz WNRXPEXZKDKCEU-LBPRGKRZSA-N 1 2 333.432 3.766 50 0 EHAALO COc1ccccc1-c1noc(C[N@H+](C)Cc2sccc2C)n1 ZINC000015311891 563781863 /nfs/dbraw/zinc/78/18/63/563781863.db2.gz JOGOLSFNOAAXOK-UHFFFAOYSA-N 1 2 329.425 3.747 50 0 EHAALO COc1ccccc1-c1noc(C[N@@H+](C)Cc2sccc2C)n1 ZINC000015311891 563781864 /nfs/dbraw/zinc/78/18/64/563781864.db2.gz JOGOLSFNOAAXOK-UHFFFAOYSA-N 1 2 329.425 3.747 50 0 EHAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(F)cc3)n2)C1 ZINC000015589982 563787958 /nfs/dbraw/zinc/78/79/58/563787958.db2.gz GAIVKBWIYAPQHQ-GFCCVEGCSA-N 1 2 333.432 3.766 50 0 EHAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(F)cc3)n2)C1 ZINC000015589982 563787959 /nfs/dbraw/zinc/78/79/59/563787959.db2.gz GAIVKBWIYAPQHQ-GFCCVEGCSA-N 1 2 333.432 3.766 50 0 EHAALO Cc1c(Cl)cccc1NC(=S)N1CCN(c2cccc[nH+]2)CC1 ZINC000018284694 563851836 /nfs/dbraw/zinc/85/18/36/563851836.db2.gz FGMCJMDGJQHGCR-UHFFFAOYSA-N 1 2 346.887 3.562 50 0 EHAALO O=C(CCOc1cccc2ccccc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000072254979 563889711 /nfs/dbraw/zinc/88/97/11/563889711.db2.gz HNQNAFSYJZDZJM-GOSISDBHSA-N 1 2 349.434 3.669 50 0 EHAALO CCOC(=O)C1=C(c2ccccc2)O[C@@H]([NH+](C)C)C(c2ccccc2)=C1 ZINC000022339715 563918550 /nfs/dbraw/zinc/91/85/50/563918550.db2.gz OXFAQXQBBDLEKD-OAQYLSRUSA-N 1 2 349.430 3.962 50 0 EHAALO CCCCN(Cc1ccc(C)s1)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000055195479 563933860 /nfs/dbraw/zinc/93/38/60/563933860.db2.gz BTINBFVRHVDOFS-UHFFFAOYSA-N 1 2 345.512 3.712 50 0 EHAALO CCCCN(Cc1ccc(C)s1)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000055195479 563933862 /nfs/dbraw/zinc/93/38/62/563933862.db2.gz BTINBFVRHVDOFS-UHFFFAOYSA-N 1 2 345.512 3.712 50 0 EHAALO CCCCN(Cc1ccsc1)C(=O)c1csc(C[NH+](C)C)n1 ZINC000055360363 563934565 /nfs/dbraw/zinc/93/45/65/563934565.db2.gz GMWCPHLSMCHXDV-UHFFFAOYSA-N 1 2 337.514 3.709 50 0 EHAALO COc1cc(C[NH2+]Cc2csc(C(C)C)n2)cc(OC)c1OC ZINC000058163611 563938671 /nfs/dbraw/zinc/93/86/71/563938671.db2.gz FEXAANOWGYLDHR-UHFFFAOYSA-N 1 2 336.457 3.582 50 0 EHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc(Cl)o1 ZINC000058209505 563939872 /nfs/dbraw/zinc/93/98/72/563939872.db2.gz KXIWFCCWUTWTOW-UHFFFAOYSA-N 1 2 333.819 3.638 50 0 EHAALO O=C(NCc1ccc[nH+]c1N1CCCCC1)c1ccccc1Cl ZINC000058282698 563941700 /nfs/dbraw/zinc/94/17/00/563941700.db2.gz PGVDORVURFNEJL-UHFFFAOYSA-N 1 2 329.831 3.655 50 0 EHAALO C[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccccc1 ZINC000058305407 563942217 /nfs/dbraw/zinc/94/22/17/563942217.db2.gz DXFZTGUAXWZYEC-UHFFFAOYSA-N 1 2 348.200 3.724 50 0 EHAALO C[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccccc1 ZINC000058305407 563942218 /nfs/dbraw/zinc/94/22/18/563942218.db2.gz DXFZTGUAXWZYEC-UHFFFAOYSA-N 1 2 348.200 3.724 50 0 EHAALO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(F)ccc2F)c1C ZINC000058601805 563946976 /nfs/dbraw/zinc/94/69/76/563946976.db2.gz CINPKYVQYBLLFK-UHFFFAOYSA-N 1 2 335.354 3.649 50 0 EHAALO Cc1ccsc1CN(C(=O)C[N@@H+]1CCc2sccc2C1)C(C)C ZINC000058855751 563947261 /nfs/dbraw/zinc/94/72/61/563947261.db2.gz SPRYQZVKPNRNFR-UHFFFAOYSA-N 1 2 348.537 3.913 50 0 EHAALO Cc1ccsc1CN(C(=O)C[N@H+]1CCc2sccc2C1)C(C)C ZINC000058855751 563947262 /nfs/dbraw/zinc/94/72/62/563947262.db2.gz SPRYQZVKPNRNFR-UHFFFAOYSA-N 1 2 348.537 3.913 50 0 EHAALO C[C@H](C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1)n1cc[nH+]c1 ZINC000096426839 563952179 /nfs/dbraw/zinc/95/21/79/563952179.db2.gz BVHLHYAUQOBFRO-GFCCVEGCSA-N 1 2 337.345 3.659 50 0 EHAALO C[C@@H](NC(=O)[C@H](C)c1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432089 563952712 /nfs/dbraw/zinc/95/27/12/563952712.db2.gz MPGZRFMHFOILEY-ZIAGYGMSSA-N 1 2 325.437 3.915 50 0 EHAALO CC(C)c1ocnc1C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000096491287 563955605 /nfs/dbraw/zinc/95/56/05/563955605.db2.gz LIGIKNLELCUIMY-ZDUSSCGKSA-N 1 2 329.400 3.605 50 0 EHAALO COc1cc2c(cc1-c1[nH+]ccn1CCc1cccc(F)c1)OCO2 ZINC000067908699 563963035 /nfs/dbraw/zinc/96/30/35/563963035.db2.gz CKSXKWIMJFFYEU-UHFFFAOYSA-N 1 2 340.354 3.669 50 0 EHAALO O=C1OCCN1Cc1ccc(N[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000097103772 563967623 /nfs/dbraw/zinc/96/76/23/563967623.db2.gz JPZFKVITNCYJLL-GOSISDBHSA-N 1 2 348.406 3.563 50 0 EHAALO Brc1cccc(C2([NH2+]Cc3nnc(C4CC4)o3)CCC2)c1 ZINC000072597833 563974588 /nfs/dbraw/zinc/97/45/88/563974588.db2.gz BHNULUMIEVSESJ-UHFFFAOYSA-N 1 2 348.244 3.879 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000091679030 563975672 /nfs/dbraw/zinc/97/56/72/563975672.db2.gz PVWQQHNWQYGWCR-GOSISDBHSA-N 1 2 348.450 3.714 50 0 EHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000095378521 563976845 /nfs/dbraw/zinc/97/68/45/563976845.db2.gz JXESTHDNQCVRDZ-GOSISDBHSA-N 1 2 340.471 3.772 50 0 EHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(C)ccc2O)C1 ZINC000095388850 563976922 /nfs/dbraw/zinc/97/69/22/563976922.db2.gz QTYDCFBFEVTKFI-INIZCTEOSA-N 1 2 341.455 3.717 50 0 EHAALO COCC[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CCO1 ZINC000097468069 563981546 /nfs/dbraw/zinc/98/15/46/563981546.db2.gz DSHIOAXQTMXNQH-FQEVSTJZSA-N 1 2 327.424 3.716 50 0 EHAALO COCC[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CCO1 ZINC000097468069 563981547 /nfs/dbraw/zinc/98/15/47/563981547.db2.gz DSHIOAXQTMXNQH-FQEVSTJZSA-N 1 2 327.424 3.716 50 0 EHAALO COc1nc(N(c2ccccc2)c2ccccc2)nc(-n2cc[nH+]c2)n1 ZINC000000112045 563986608 /nfs/dbraw/zinc/98/66/08/563986608.db2.gz ONQRAYLUTWMTGL-UHFFFAOYSA-N 1 2 344.378 3.536 50 0 EHAALO CCCn1c(C)nnc1C[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000158673638 563991445 /nfs/dbraw/zinc/99/14/45/563991445.db2.gz SUYHIMQFEHASJQ-QGZVFWFLSA-N 1 2 330.501 3.595 50 0 EHAALO CCCn1c(C)nnc1C[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000158673638 563991446 /nfs/dbraw/zinc/99/14/46/563991446.db2.gz SUYHIMQFEHASJQ-QGZVFWFLSA-N 1 2 330.501 3.595 50 0 EHAALO C[C@H](c1nc(-c2cccc(OCc3cccnc3)c2)no1)n1cc[nH+]c1 ZINC000078774644 564000952 /nfs/dbraw/zinc/00/09/52/564000952.db2.gz ZQGYBWLGZWFDHF-CQSZACIVSA-N 1 2 347.378 3.516 50 0 EHAALO O=C(c1ccco1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062130232 564003505 /nfs/dbraw/zinc/00/35/05/564003505.db2.gz CMVCBWGSKZQUSX-UHFFFAOYSA-N 1 2 335.407 3.696 50 0 EHAALO COc1cccc(Cn2nc(C)c(C[NH2+]Cc3ccco3)c2Cl)c1 ZINC000017309687 564011612 /nfs/dbraw/zinc/01/16/12/564011612.db2.gz OYRKIFORGFJTKW-UHFFFAOYSA-N 1 2 345.830 3.785 50 0 EHAALO C[C@@H]([NH2+][C@@H](C)c1nnnn1C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000189784319 564016498 /nfs/dbraw/zinc/01/64/98/564016498.db2.gz OXRLJFKKIQXDFX-OLZOCXBDSA-N 1 2 341.390 3.553 50 0 EHAALO CN(C(=O)CCCn1cc[nH+]c1)C1c2ccccc2-c2ccccc21 ZINC000081397252 564028926 /nfs/dbraw/zinc/02/89/26/564028926.db2.gz JODGWEWCHIDQRC-UHFFFAOYSA-N 1 2 331.419 3.892 50 0 EHAALO C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000048224432 564030210 /nfs/dbraw/zinc/03/02/10/564030210.db2.gz BSCOMRPAFLGUHQ-CQSZACIVSA-N 1 2 346.390 3.847 50 0 EHAALO Cc1ccccc1CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048938247 564032346 /nfs/dbraw/zinc/03/23/46/564032346.db2.gz CBKVDIHFCNPWFF-UHFFFAOYSA-N 1 2 337.467 3.629 50 0 EHAALO CC(C)[C@@H]([NH2+]Cc1csc(C2CC2)n1)c1nnc2ccccn21 ZINC000113332689 564032716 /nfs/dbraw/zinc/03/27/16/564032716.db2.gz LLTBCBZGCGKLBH-OAHLLOKOSA-N 1 2 327.457 3.550 50 0 EHAALO Cc1cccc(S(=O)(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)c1 ZINC000343467511 564053841 /nfs/dbraw/zinc/05/38/41/564053841.db2.gz MQQCDXROCRFWHG-UHFFFAOYSA-N 1 2 341.436 3.940 50 0 EHAALO O=C(c1cccc(N[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1)N1CCCC1 ZINC000129267970 564054501 /nfs/dbraw/zinc/05/45/01/564054501.db2.gz DDAUYNLSSGNVSO-IBGZPJMESA-N 1 2 346.434 3.847 50 0 EHAALO Cc1cccc(CC(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082138504 564056307 /nfs/dbraw/zinc/05/63/07/564056307.db2.gz GXWZSOQTWQUWIW-IBGZPJMESA-N 1 2 337.467 3.550 50 0 EHAALO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000015416658 564062073 /nfs/dbraw/zinc/06/20/73/564062073.db2.gz SQISQWSEZNNEIW-CQSZACIVSA-N 1 2 338.407 3.988 50 0 EHAALO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCn2cccc2[C@H]1C ZINC000015416658 564062074 /nfs/dbraw/zinc/06/20/74/564062074.db2.gz SQISQWSEZNNEIW-CQSZACIVSA-N 1 2 338.407 3.988 50 0 EHAALO O=C(NCCCCn1cc[nH+]c1)N1CC2(CCCC2)c2ccccc21 ZINC000083712895 564063441 /nfs/dbraw/zinc/06/34/41/564063441.db2.gz NBXHJWMTUHAMAF-UHFFFAOYSA-N 1 2 338.455 3.705 50 0 EHAALO CN(C)c1[nH+]cccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000083854155 564063806 /nfs/dbraw/zinc/06/38/06/564063806.db2.gz SRJQMOBINXXTKV-OLZOCXBDSA-N 1 2 349.356 3.909 50 0 EHAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000063567083 564073107 /nfs/dbraw/zinc/07/31/07/564073107.db2.gz WNQQEKHMNIPKKP-QZTJIDSGSA-N 1 2 345.874 3.978 50 0 EHAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000063567083 564073108 /nfs/dbraw/zinc/07/31/08/564073108.db2.gz WNQQEKHMNIPKKP-QZTJIDSGSA-N 1 2 345.874 3.978 50 0 EHAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc3cc(F)ccc3o1)C2 ZINC000117801739 564082700 /nfs/dbraw/zinc/08/27/00/564082700.db2.gz MOVCGZHATSTGKR-UHFFFAOYSA-N 1 2 341.386 3.627 50 0 EHAALO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000190924524 564084408 /nfs/dbraw/zinc/08/44/08/564084408.db2.gz SCXPKXVXBRPRQZ-RDJZCZTQSA-N 1 2 340.423 3.766 50 0 EHAALO Cc1cccc(CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000075495772 564087045 /nfs/dbraw/zinc/08/70/45/564087045.db2.gz BLUMMFNDWKJMFB-UHFFFAOYSA-N 1 2 337.467 3.629 50 0 EHAALO CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3ncccn3)CC2)cc1 ZINC000191937565 564089434 /nfs/dbraw/zinc/08/94/34/564089434.db2.gz YKBLVAJGZJHPKH-UHFFFAOYSA-N 1 2 337.467 3.770 50 0 EHAALO Cc1ccc(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2=O)cc1Cl ZINC000035798949 564090207 /nfs/dbraw/zinc/09/02/07/564090207.db2.gz HXJOCKUZBWIJHW-HNNXBMFYSA-N 1 2 328.843 3.886 50 0 EHAALO Cc1ccc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2=O)cc1Cl ZINC000035798949 564090208 /nfs/dbraw/zinc/09/02/08/564090208.db2.gz HXJOCKUZBWIJHW-HNNXBMFYSA-N 1 2 328.843 3.886 50 0 EHAALO Cn1c[nH+]cc1-c1ccc(C(=O)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000426621592 564094272 /nfs/dbraw/zinc/09/42/72/564094272.db2.gz IPXCBWLMURDNGZ-IBGZPJMESA-N 1 2 346.434 3.850 50 0 EHAALO Cc1cccc(-c2nnc(SCc3cn4ccccc4[nH+]3)n2C)c1 ZINC000006650804 564095408 /nfs/dbraw/zinc/09/54/08/564095408.db2.gz KKTXRVVELCFSFA-UHFFFAOYSA-N 1 2 335.436 3.731 50 0 EHAALO CC(C)C(=O)N(Cc1[nH+]ccn1Cc1ccccc1Cl)CC1CC1 ZINC000006689232 564095873 /nfs/dbraw/zinc/09/58/73/564095873.db2.gz KKFKDAIQZFZAKR-UHFFFAOYSA-N 1 2 345.874 3.979 50 0 EHAALO Fc1cccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286082 564104399 /nfs/dbraw/zinc/10/43/99/564104399.db2.gz HQJWHDFVGIOJLY-KRWDZBQOSA-N 1 2 338.386 3.998 50 0 EHAALO Fc1cccc(C[N@H+]2CCCC[C@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286082 564104400 /nfs/dbraw/zinc/10/44/00/564104400.db2.gz HQJWHDFVGIOJLY-KRWDZBQOSA-N 1 2 338.386 3.998 50 0 EHAALO O=C(Nc1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000013324813 564111498 /nfs/dbraw/zinc/11/14/98/564111498.db2.gz RVNGRLFWDMOUIJ-UHFFFAOYSA-N 1 2 345.830 3.816 50 0 EHAALO O=C(Cn1c(-c2ccccc2)cc2ccccc21)NC1=[NH+]CCS1 ZINC000007717457 564122175 /nfs/dbraw/zinc/12/21/75/564122175.db2.gz RVZFPBJYWZGVBI-UHFFFAOYSA-N 1 2 335.432 3.527 50 0 EHAALO C[N@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccsc1 ZINC000007926826 564125529 /nfs/dbraw/zinc/12/55/29/564125529.db2.gz IPATZHJKNREWQP-UHFFFAOYSA-N 1 2 339.258 3.581 50 0 EHAALO C[N@@H+](CC(=O)Nc1ccc(Br)cc1)Cc1ccsc1 ZINC000007926826 564125530 /nfs/dbraw/zinc/12/55/30/564125530.db2.gz IPATZHJKNREWQP-UHFFFAOYSA-N 1 2 339.258 3.581 50 0 EHAALO CCCC[C@@H]([NH2+][C@H](C)c1csc(C)n1)C(=O)Nc1cc(C)on1 ZINC000079030769 564137701 /nfs/dbraw/zinc/13/77/01/564137701.db2.gz CXMPSENTPSYDLB-DGCLKSJQSA-N 1 2 336.461 3.596 50 0 EHAALO Cc1cc(-c2noc(C[N@@H+]3CCCc4occc4C3)n2)ccc1F ZINC000329591907 564138171 /nfs/dbraw/zinc/13/81/71/564138171.db2.gz ZBXWIXCMBVKZNW-UHFFFAOYSA-N 1 2 327.359 3.726 50 0 EHAALO Cc1cc(-c2noc(C[N@H+]3CCCc4occc4C3)n2)ccc1F ZINC000329591907 564138172 /nfs/dbraw/zinc/13/81/72/564138172.db2.gz ZBXWIXCMBVKZNW-UHFFFAOYSA-N 1 2 327.359 3.726 50 0 EHAALO CC[C@@H](C(=O)N1CC([N@@H+]2CCc3sccc3C2)C1)c1ccccc1 ZINC000390828017 564138522 /nfs/dbraw/zinc/13/85/22/564138522.db2.gz NLYAFIBWODLQBF-GOSISDBHSA-N 1 2 340.492 3.511 50 0 EHAALO CC[C@@H](C(=O)N1CC([N@H+]2CCc3sccc3C2)C1)c1ccccc1 ZINC000390828017 564138523 /nfs/dbraw/zinc/13/85/23/564138523.db2.gz NLYAFIBWODLQBF-GOSISDBHSA-N 1 2 340.492 3.511 50 0 EHAALO OC1(c2ccc(-c3ccccc3)cc2)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000278912784 564139122 /nfs/dbraw/zinc/13/91/22/564139122.db2.gz TYULXRACLYDPHI-UHFFFAOYSA-N 1 2 333.435 3.560 50 0 EHAALO CC(C)n1cc([C@H](C)[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)cn1 ZINC000095419872 564139847 /nfs/dbraw/zinc/13/98/47/564139847.db2.gz SXTBMXZGAXWQFX-KSSFIOAISA-N 1 2 341.434 3.777 50 0 EHAALO O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000095427136 564140232 /nfs/dbraw/zinc/14/02/32/564140232.db2.gz ZPPRARKJJANNCE-HOTGVXAUSA-N 1 2 346.475 3.528 50 0 EHAALO COc1cccc(C[N@H+](C)[C@H](c2ccc(F)cc2)c2ncccn2)c1 ZINC000095431945 564140367 /nfs/dbraw/zinc/14/03/67/564140367.db2.gz YFLROEDJYNVZKM-LJQANCHMSA-N 1 2 337.398 3.846 50 0 EHAALO COc1cccc(C[N@@H+](C)[C@H](c2ccc(F)cc2)c2ncccn2)c1 ZINC000095431945 564140368 /nfs/dbraw/zinc/14/03/68/564140368.db2.gz YFLROEDJYNVZKM-LJQANCHMSA-N 1 2 337.398 3.846 50 0 EHAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000002627060 564151358 /nfs/dbraw/zinc/15/13/58/564151358.db2.gz IQCSIDNHDCQTLD-UHFFFAOYSA-N 1 2 332.469 3.950 50 0 EHAALO CCc1nc(C[NH2+]Cc2cccc(C(=O)N[C@H](C)CC)c2)cs1 ZINC000067212796 564165340 /nfs/dbraw/zinc/16/53/40/564165340.db2.gz NOZFGFOWOHDTBY-CYBMUJFWSA-N 1 2 331.485 3.524 50 0 EHAALO Cc1cccc2[nH+]c(CNC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)cn21 ZINC000068570203 564167626 /nfs/dbraw/zinc/16/76/26/564167626.db2.gz ZTLITOMJLRBWAS-QWHCGFSZSA-N 1 2 339.361 3.628 50 0 EHAALO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000245338642 564169108 /nfs/dbraw/zinc/16/91/08/564169108.db2.gz NLPVEAYVZLXVGJ-XHSDSOJGSA-N 1 2 329.831 3.920 50 0 EHAALO CCc1noc([C@@H](C)[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)n1 ZINC000040511304 564170261 /nfs/dbraw/zinc/17/02/61/564170261.db2.gz IMLJMJSTICRQLT-OAHLLOKOSA-N 1 2 341.455 3.905 50 0 EHAALO CCC[C@@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000010094033 564175060 /nfs/dbraw/zinc/17/50/60/564175060.db2.gz XZFSFHGTNDOTTJ-QGZVFWFLSA-N 1 2 328.481 3.764 50 0 EHAALO CCC[C@@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000010094033 564175061 /nfs/dbraw/zinc/17/50/61/564175061.db2.gz XZFSFHGTNDOTTJ-QGZVFWFLSA-N 1 2 328.481 3.764 50 0 EHAALO Cc1noc(C)c1CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000004601741 568415222 /nfs/dbraw/zinc/41/52/22/568415222.db2.gz CCWOTAGJYPXXCO-UHFFFAOYSA-N 1 2 337.408 3.713 50 0 EHAALO CCc1nc(C[NH2+]Cc2cc3cc(C)cc(C)c3[nH]c2=O)cs1 ZINC000952973757 1137484458 /nfs/dbraw/zinc/48/44/58/1137484458.db2.gz HSTPPXOXZDTOHR-UHFFFAOYSA-N 1 2 327.453 3.866 50 0 EHAALO FC(F)(F)c1ccc(OCC[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000107299279 1139716888 /nfs/dbraw/zinc/71/68/88/1139716888.db2.gz ALLJBJJUZFWECF-ZDUSSCGKSA-N 1 2 339.361 3.687 50 0 EHAALO FC(F)(F)c1ccc(OCC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000107299279 1139716892 /nfs/dbraw/zinc/71/68/92/1139716892.db2.gz ALLJBJJUZFWECF-ZDUSSCGKSA-N 1 2 339.361 3.687 50 0 EHAALO Cc1ccn2cc(CCNC(=O)c3cccc4ccccc43)[nH+]c2c1 ZINC000004248450 210151636 /nfs/dbraw/zinc/15/16/36/210151636.db2.gz GLFDJNCSUIZXDL-UHFFFAOYSA-N 1 2 329.403 3.768 50 0 EHAALO Cc1ccc(C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000067206313 215123730 /nfs/dbraw/zinc/12/37/30/215123730.db2.gz IFAQNCOSGUQHHX-UHFFFAOYSA-N 1 2 328.843 3.653 50 0 EHAALO c1[nH]c2c([nH+]1)CCN(Cc1cccnc1)[C@H]2c1ccnc2ccccc21 ZINC000067755517 215202992 /nfs/dbraw/zinc/20/29/92/215202992.db2.gz DYNXBUMRNYERBP-NRFANRHFSA-N 1 2 341.418 3.501 50 0 EHAALO C[C@@H](NC(=O)N(C)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040024106 213251793 /nfs/dbraw/zinc/25/17/93/213251793.db2.gz MGAFNBPISQBQBA-MRXNPFEDSA-N 1 2 334.423 3.775 50 0 EHAALO COc1ccc(-c2nc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c(C)o2)cc1C ZINC000020537971 202047919 /nfs/dbraw/zinc/04/79/19/202047919.db2.gz UACLYFPLOHDTNZ-OKILXGFUSA-N 1 2 330.428 3.576 50 0 EHAALO COc1ccc(-c2nc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c(C)o2)cc1C ZINC000020537971 202047921 /nfs/dbraw/zinc/04/79/21/202047921.db2.gz UACLYFPLOHDTNZ-OKILXGFUSA-N 1 2 330.428 3.576 50 0 EHAALO CSc1nc2sc3c(c2c(N)n1)CC[N@H+](Cc1ccccc1)C3 ZINC000020814237 202054429 /nfs/dbraw/zinc/05/44/29/202054429.db2.gz PUVFMZWLFZSDFL-UHFFFAOYSA-N 1 2 342.493 3.554 50 0 EHAALO CSc1nc2sc3c(c2c(N)n1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020814237 202054431 /nfs/dbraw/zinc/05/44/31/202054431.db2.gz PUVFMZWLFZSDFL-UHFFFAOYSA-N 1 2 342.493 3.554 50 0 EHAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCc3ccccc3)n2)C1 ZINC000024887849 202123150 /nfs/dbraw/zinc/12/31/50/202123150.db2.gz CSFCPFMEYYMEDP-HNNXBMFYSA-N 1 2 343.496 3.946 50 0 EHAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCc3ccccc3)n2)C1 ZINC000024887849 202123151 /nfs/dbraw/zinc/12/31/51/202123151.db2.gz CSFCPFMEYYMEDP-HNNXBMFYSA-N 1 2 343.496 3.946 50 0 EHAALO C[C@H](CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000024747083 202120262 /nfs/dbraw/zinc/12/02/62/202120262.db2.gz SHMKJIUSOWLXBF-QGZVFWFLSA-N 1 2 333.435 3.741 50 0 EHAALO CN(C)C(=O)[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000026879381 202149110 /nfs/dbraw/zinc/14/91/10/202149110.db2.gz ZQOVKQVIMOACEB-LEWJYISDSA-N 1 2 345.446 3.590 50 0 EHAALO COc1ccccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000028682961 202174895 /nfs/dbraw/zinc/17/48/95/202174895.db2.gz PFJKWULNZOOUIG-ZDUSSCGKSA-N 1 2 345.468 3.636 50 0 EHAALO COc1ccccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000028682961 202174899 /nfs/dbraw/zinc/17/48/99/202174899.db2.gz PFJKWULNZOOUIG-ZDUSSCGKSA-N 1 2 345.468 3.636 50 0 EHAALO C[N@H+](Cc1ccco1)Cc1nnc(-c2ccccc2Br)o1 ZINC000030276398 202194661 /nfs/dbraw/zinc/19/46/61/202194661.db2.gz CMZMMPIUPQTKHF-UHFFFAOYSA-N 1 2 348.200 3.724 50 0 EHAALO C[N@@H+](Cc1ccco1)Cc1nnc(-c2ccccc2Br)o1 ZINC000030276398 202194664 /nfs/dbraw/zinc/19/46/64/202194664.db2.gz CMZMMPIUPQTKHF-UHFFFAOYSA-N 1 2 348.200 3.724 50 0 EHAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1cc(Cl)ccc1O ZINC000031803561 202210100 /nfs/dbraw/zinc/21/01/00/202210100.db2.gz XQUZFJMEHNZMTB-UHFFFAOYSA-N 1 2 327.771 3.543 50 0 EHAALO c1cc2c(s1)CC[N@@H+](Cc1cn3cccnc3n1)[C@@H]2c1ccccc1 ZINC000032874049 202240053 /nfs/dbraw/zinc/24/00/53/202240053.db2.gz XABSZIMUIOUCGJ-LJQANCHMSA-N 1 2 346.459 3.939 50 0 EHAALO c1cc2c(s1)CC[N@H+](Cc1cn3cccnc3n1)[C@@H]2c1ccccc1 ZINC000032874049 202240056 /nfs/dbraw/zinc/24/00/56/202240056.db2.gz XABSZIMUIOUCGJ-LJQANCHMSA-N 1 2 346.459 3.939 50 0 EHAALO CC(C)[C@H](NC(=O)Nc1nc2ccccc2s1)c1[nH+]ccn1C ZINC000032933005 202244476 /nfs/dbraw/zinc/24/44/76/202244476.db2.gz KFFPJXFNLKRYDY-ZDUSSCGKSA-N 1 2 329.429 3.549 50 0 EHAALO COC(=O)c1cccc(C[NH2+]C2(c3noc(C)n3)CCCCCC2)c1 ZINC000078393970 202389841 /nfs/dbraw/zinc/38/98/41/202389841.db2.gz LLJCVJWTUVXSIE-UHFFFAOYSA-N 1 2 343.427 3.504 50 0 EHAALO Cc1cc(N)nc(SCc2coc(-c3cccc(Cl)c3)n2)[nH+]1 ZINC000028964873 212647383 /nfs/dbraw/zinc/64/73/83/212647383.db2.gz FBMYISDSIJUQOB-UHFFFAOYSA-N 1 2 332.816 3.968 50 0 EHAALO c1cn2c([nH+]1)CN(c1nc(-c3ccsc3)nc3ccccc31)CC2 ZINC000097201510 201382098 /nfs/dbraw/zinc/38/20/98/201382098.db2.gz YZFRBJHPIVORNU-UHFFFAOYSA-N 1 2 333.420 3.575 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCCC[C@@H]1c1ccccn1 ZINC000216168307 241171723 /nfs/dbraw/zinc/17/17/23/241171723.db2.gz QKJDHINQOGYPJZ-LJQANCHMSA-N 1 2 348.450 3.884 50 0 EHAALO O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000069536259 203017928 /nfs/dbraw/zinc/01/79/28/203017928.db2.gz MPNWNAZRLSXMIG-HNNXBMFYSA-N 1 2 340.452 3.637 50 0 EHAALO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1nc(-c2ccccc2)cs1 ZINC000069561626 203018567 /nfs/dbraw/zinc/01/85/67/203018567.db2.gz SRSBWJDUEWODEP-LLVKDONJSA-N 1 2 336.424 3.660 50 0 EHAALO FC(F)(F)CCc1ccnc(NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000071752597 203108251 /nfs/dbraw/zinc/10/82/51/203108251.db2.gz WFXHTUDUOMWHHB-UHFFFAOYSA-N 1 2 347.344 3.769 50 0 EHAALO CCOC(=O)N1CCC(n2cc[nH+]c2[C@@H](C)c2ccccc2)CC1 ZINC000071762041 203110429 /nfs/dbraw/zinc/11/04/29/203110429.db2.gz JOXCPXASWGKOJD-HNNXBMFYSA-N 1 2 327.428 3.828 50 0 EHAALO c1ccc2sc(C3CC[NH+](Cc4nnc(C5CC5)o4)CC3)nc2c1 ZINC000071824653 203120035 /nfs/dbraw/zinc/12/00/35/203120035.db2.gz IRLRKYRQHYBYNO-UHFFFAOYSA-N 1 2 340.452 3.936 50 0 EHAALO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@H](c1ccccc1)n1cccn1 ZINC000071846966 203127557 /nfs/dbraw/zinc/12/75/57/203127557.db2.gz JUXYWPQFAWGYGJ-SFHVURJKSA-N 1 2 343.390 3.501 50 0 EHAALO Cc1cc(C)cc(CN2CC[N@H+](Cc3ccc4[nH]ccc4c3)CC2=O)c1 ZINC000072147048 203171558 /nfs/dbraw/zinc/17/15/58/203171558.db2.gz DPZZVQDEQUILER-UHFFFAOYSA-N 1 2 347.462 3.629 50 0 EHAALO Cc1cc(C)cc(CN2CC[N@@H+](Cc3ccc4[nH]ccc4c3)CC2=O)c1 ZINC000072147048 203171562 /nfs/dbraw/zinc/17/15/62/203171562.db2.gz DPZZVQDEQUILER-UHFFFAOYSA-N 1 2 347.462 3.629 50 0 EHAALO COc1cccc(-n2cc(C[N@H+](C)Cc3cc(F)ccc3F)cn2)c1 ZINC000072154498 203174967 /nfs/dbraw/zinc/17/49/67/203174967.db2.gz SHIXDZVDFQEEBZ-UHFFFAOYSA-N 1 2 343.377 3.791 50 0 EHAALO COc1cccc(-n2cc(C[N@@H+](C)Cc3cc(F)ccc3F)cn2)c1 ZINC000072154498 203174972 /nfs/dbraw/zinc/17/49/72/203174972.db2.gz SHIXDZVDFQEEBZ-UHFFFAOYSA-N 1 2 343.377 3.791 50 0 EHAALO Oc1ccc(CC[C@@H]2CCCC[N@@H+]2Cc2noc(C3CC3)n2)cc1 ZINC000072154023 203175355 /nfs/dbraw/zinc/17/53/55/203175355.db2.gz XMEDGPSKJBRUCB-INIZCTEOSA-N 1 2 327.428 3.640 50 0 EHAALO Oc1ccc(CC[C@@H]2CCCC[N@H+]2Cc2noc(C3CC3)n2)cc1 ZINC000072154023 203175358 /nfs/dbraw/zinc/17/53/58/203175358.db2.gz XMEDGPSKJBRUCB-INIZCTEOSA-N 1 2 327.428 3.640 50 0 EHAALO C[C@H]1C[NH+](CCOc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000020166940 212108165 /nfs/dbraw/zinc/10/81/65/212108165.db2.gz BONSDELIHFKTAA-QWRGUYRKSA-N 1 2 348.668 3.591 50 0 EHAALO Cc1[nH+]c[nH]c1CSCCn1ccnc1-c1cccc(F)c1F ZINC000072453436 203226388 /nfs/dbraw/zinc/22/63/88/203226388.db2.gz YRKWMZKJUIWSIF-UHFFFAOYSA-N 1 2 334.395 3.793 50 0 EHAALO c1ccc(-c2nc(N3CCC[C@H](c4[nH]c5ccccc5[nH+]4)C3)no2)cc1 ZINC000077452421 203389665 /nfs/dbraw/zinc/38/96/65/203389665.db2.gz OVSIFDOPCGURRZ-HNNXBMFYSA-N 1 2 345.406 3.997 50 0 EHAALO Cc1nc(-c2ccccc2)sc1NC(=O)NCCCn1cc[nH+]c1 ZINC000096010729 203795677 /nfs/dbraw/zinc/79/56/77/203795677.db2.gz XKGFENOKSLKGJV-UHFFFAOYSA-N 1 2 341.440 3.527 50 0 EHAALO CC(C)CN(Cc1ccsc1)C(=O)CC1=CSC2=[NH+]CCCN12 ZINC000101839117 204024221 /nfs/dbraw/zinc/02/42/21/204024221.db2.gz WTUOOLSNJZXAMY-UHFFFAOYSA-N 1 2 349.525 3.773 50 0 EHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc2cccnc21 ZINC000012531448 207166267 /nfs/dbraw/zinc/16/62/67/207166267.db2.gz AHCSZWVQPPBAPZ-UHFFFAOYSA-N 1 2 330.391 3.786 50 0 EHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(Br)c1 ZINC000012618014 207180133 /nfs/dbraw/zinc/18/01/33/207180133.db2.gz VPPGHMKEJADMJC-UHFFFAOYSA-N 1 2 344.212 3.746 50 0 EHAALO Cc1[nH]c2ccc(CC(=O)NCCSC3CCCCC3)cc2[nH+]1 ZINC000299795262 258099859 /nfs/dbraw/zinc/09/98/59/258099859.db2.gz LBNCZPOMJYGSFR-UHFFFAOYSA-N 1 2 331.485 3.596 50 0 EHAALO Cc1[nH]c2cc(CC(=O)NCCSC3CCCCC3)ccc2[nH+]1 ZINC000299795262 258099861 /nfs/dbraw/zinc/09/98/61/258099861.db2.gz LBNCZPOMJYGSFR-UHFFFAOYSA-N 1 2 331.485 3.596 50 0 EHAALO COc1cccc(N2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000055291884 132194538 /nfs/dbraw/zinc/19/45/38/132194538.db2.gz ZUFBIPWYYFTKKL-UHFFFAOYSA-N 1 2 334.822 3.810 50 0 EHAALO Fc1ccc(-c2cnc(C[NH+]3CCN(c4ccccc4)CC3)o2)cc1 ZINC000057442827 132200884 /nfs/dbraw/zinc/20/08/84/132200884.db2.gz PKHHCFDNHRAFFP-UHFFFAOYSA-N 1 2 337.398 3.803 50 0 EHAALO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@@H]1c1ccsc1 ZINC000047833348 132424994 /nfs/dbraw/zinc/42/49/94/132424994.db2.gz DSEKTAKOZHZRTG-DOTOQJQBSA-N 1 2 341.480 3.723 50 0 EHAALO c1cc2c(ncnc2N2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)s1 ZINC000012559481 135696797 /nfs/dbraw/zinc/69/67/97/135696797.db2.gz QRAHFRNAZZDXIF-GFCCVEGCSA-N 1 2 335.436 3.952 50 0 EHAALO Cc1csc(CN(C)C(=O)c2cccc(-c3[nH]c(C)[nH+]c3C)c2)n1 ZINC000584903703 563418002 /nfs/dbraw/zinc/41/80/02/563418002.db2.gz MYVCALOGIVQUNH-UHFFFAOYSA-N 1 2 340.452 3.731 50 0 EHAALO O=C(C[NH+]1CCCCC1)Nc1ccc(Br)cc1Cl ZINC000006742034 563584344 /nfs/dbraw/zinc/58/43/44/563584344.db2.gz NZBOSLVDMVSWLL-UHFFFAOYSA-N 1 2 331.641 3.527 50 0 EHAALO c1[nH]c(CN2CCO[C@H](CC(c3ccccc3)c3ccccc3)C2)c[nH+]1 ZINC000011819347 563651397 /nfs/dbraw/zinc/65/13/97/563651397.db2.gz MXHBHQXZAQRGQI-OAQYLSRUSA-N 1 2 347.462 3.833 50 0 EHAALO c1[nH]cc(CN2CCO[C@H](CC(c3ccccc3)c3ccccc3)C2)[nH+]1 ZINC000011819347 563651401 /nfs/dbraw/zinc/65/14/01/563651401.db2.gz MXHBHQXZAQRGQI-OAQYLSRUSA-N 1 2 347.462 3.833 50 0 EHAALO CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)cs1 ZINC000229923408 563665621 /nfs/dbraw/zinc/66/56/21/563665621.db2.gz LPWLJCWMMXIMCA-UONOGXRCSA-N 1 2 334.489 3.652 50 0 EHAALO CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)cs1 ZINC000229923408 563665625 /nfs/dbraw/zinc/66/56/25/563665625.db2.gz LPWLJCWMMXIMCA-UONOGXRCSA-N 1 2 334.489 3.652 50 0 EHAALO CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H](c3cc(C)[nH]n3)C2)cs1 ZINC000229923408 563665628 /nfs/dbraw/zinc/66/56/28/563665628.db2.gz LPWLJCWMMXIMCA-UONOGXRCSA-N 1 2 334.489 3.652 50 0 EHAALO CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](c3cc(C)[nH]n3)C2)cs1 ZINC000229923408 563665631 /nfs/dbraw/zinc/66/56/31/563665631.db2.gz LPWLJCWMMXIMCA-UONOGXRCSA-N 1 2 334.489 3.652 50 0 EHAALO COc1cccc(C[N@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)c1 ZINC000014137731 563744469 /nfs/dbraw/zinc/74/44/69/563744469.db2.gz AKEPHAYWBBVCFF-UHFFFAOYSA-N 1 2 343.814 3.629 50 0 EHAALO COc1cccc(C[N@@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)c1 ZINC000014137731 563744473 /nfs/dbraw/zinc/74/44/73/563744473.db2.gz AKEPHAYWBBVCFF-UHFFFAOYSA-N 1 2 343.814 3.629 50 0 EHAALO CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2c[nH+]c(C)[nH]2)C1 ZINC000015066507 563775208 /nfs/dbraw/zinc/77/52/08/563775208.db2.gz DDGAMMBSOZEZER-CQSZACIVSA-N 1 2 329.469 3.535 50 0 EHAALO CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2c[nH]c(C)[nH+]2)C1 ZINC000015066507 563775212 /nfs/dbraw/zinc/77/52/12/563775212.db2.gz DDGAMMBSOZEZER-CQSZACIVSA-N 1 2 329.469 3.535 50 0 EHAALO CCc1cc(=O)oc2c1cc(Cl)c1c2CN(c2cccc[nH+]2)CO1 ZINC000020566907 563859813 /nfs/dbraw/zinc/85/98/13/563859813.db2.gz OPIZBBNHKXGDPX-UHFFFAOYSA-N 1 2 342.782 3.760 50 0 EHAALO CC[NH+](CC)Cc1nc(C2(NCc3ccccc3C)CCCC2)no1 ZINC000072289910 563908900 /nfs/dbraw/zinc/90/89/00/563908900.db2.gz VYZXOBKSGDYNRQ-UHFFFAOYSA-N 1 2 342.487 3.779 50 0 EHAALO CCc1cc2c(ncn(Cc3[nH]c4ccc(Cl)cc4[nH+]3)c2=O)s1 ZINC000043082557 563925213 /nfs/dbraw/zinc/92/52/13/563925213.db2.gz VRSTUNKQADYHBO-UHFFFAOYSA-N 1 2 344.827 3.598 50 0 EHAALO Cc1cnn([C@@H](C)C2CC2)c1NC(=O)Cc1ccc2[nH]c(C)[nH+]c2c1 ZINC000055370738 563934629 /nfs/dbraw/zinc/93/46/29/563934629.db2.gz UNAUKAPAQSCDKZ-LBPRGKRZSA-N 1 2 337.427 3.528 50 0 EHAALO Cc1cnn([C@@H](C)C2CC2)c1NC(=O)Cc1ccc2[nH+]c(C)[nH]c2c1 ZINC000055370738 563934630 /nfs/dbraw/zinc/93/46/30/563934630.db2.gz UNAUKAPAQSCDKZ-LBPRGKRZSA-N 1 2 337.427 3.528 50 0 EHAALO O=C(NCCc1[nH+]ccn1C(F)F)Nc1cc(Cl)ccc1Cl ZINC000058356681 563943511 /nfs/dbraw/zinc/94/35/11/563943511.db2.gz OFTGTEKVZMSAMB-UHFFFAOYSA-N 1 2 349.168 3.949 50 0 EHAALO Cc1cc2ccccc2n1CC(=O)OCCn1c(C)[nH+]c2ccccc21 ZINC000058377816 563944203 /nfs/dbraw/zinc/94/42/03/563944203.db2.gz YOPSMWBZFSYHPB-UHFFFAOYSA-N 1 2 347.418 3.851 50 0 EHAALO Cc1nnsc1C[N@@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000067867984 563962947 /nfs/dbraw/zinc/96/29/47/563962947.db2.gz KALIBJCJEJBREO-UHFFFAOYSA-N 1 2 349.463 3.793 50 0 EHAALO Cc1nnsc1C[N@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000067867984 563962948 /nfs/dbraw/zinc/96/29/48/563962948.db2.gz KALIBJCJEJBREO-UHFFFAOYSA-N 1 2 349.463 3.793 50 0 EHAALO CCOc1ccc(Oc2ccccc2C[NH+]2CCN(C)CC2)cc1 ZINC000067872818 563963004 /nfs/dbraw/zinc/96/30/04/563963004.db2.gz AOHNNOLIUTXRKU-UHFFFAOYSA-N 1 2 326.440 3.625 50 0 EHAALO CCn1c2ccc(F)cc2[nH+]c1NCc1nccn1CC(F)(F)F ZINC000097102951 563967600 /nfs/dbraw/zinc/96/76/00/563967600.db2.gz GISRASGANQWKDH-UHFFFAOYSA-N 1 2 341.312 3.566 50 0 EHAALO C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N1CCC(C)CC1 ZINC000097112291 563967986 /nfs/dbraw/zinc/96/79/86/563967986.db2.gz QJXGVMGULVHUCI-HOTGVXAUSA-N 1 2 341.455 3.639 50 0 EHAALO CCC[C@H](C(=O)NC)n1cc[nH+]c1-c1ccccc1C(F)(F)F ZINC000082137437 563972587 /nfs/dbraw/zinc/97/25/87/563972587.db2.gz VDHOONXNWDHCOF-CYBMUJFWSA-N 1 2 325.334 3.656 50 0 EHAALO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000126422994 563973447 /nfs/dbraw/zinc/97/34/47/563973447.db2.gz TWAMYWKSMZHBCE-SKDRFNHKSA-N 1 2 342.226 3.899 50 0 EHAALO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000126422994 563973448 /nfs/dbraw/zinc/97/34/48/563973448.db2.gz TWAMYWKSMZHBCE-SKDRFNHKSA-N 1 2 342.226 3.899 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000092116491 563976045 /nfs/dbraw/zinc/97/60/45/563976045.db2.gz PETJIICBLDVAPR-INIZCTEOSA-N 1 2 339.782 3.503 50 0 EHAALO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)c(F)c1 ZINC000095367294 563976823 /nfs/dbraw/zinc/97/68/23/563976823.db2.gz IHYKDOULAGOTOF-OAHLLOKOSA-N 1 2 329.419 3.931 50 0 EHAALO COCc1ccc(C(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)s1 ZINC000095501321 563977077 /nfs/dbraw/zinc/97/70/77/563977077.db2.gz OXDMMUPKZSRGIA-UHFFFAOYSA-N 1 2 347.484 3.692 50 0 EHAALO COc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)ccc1F ZINC000095507332 563977205 /nfs/dbraw/zinc/97/72/05/563977205.db2.gz UDUTZVRXQIHGJI-OAHLLOKOSA-N 1 2 345.418 3.632 50 0 EHAALO COc1ccc(C(C)(C)C)cc1NC(=O)NC[C@H](C)n1cc[nH+]c1 ZINC000095519719 563977390 /nfs/dbraw/zinc/97/73/90/563977390.db2.gz VTTAHQMTPJMMEQ-ZDUSSCGKSA-N 1 2 330.432 3.572 50 0 EHAALO Cc1cc(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc[nH+]1 ZINC000119543448 563980824 /nfs/dbraw/zinc/98/08/24/563980824.db2.gz SZTXUPVTSPJRGG-WMZOPIPTSA-N 1 2 325.412 3.679 50 0 EHAALO O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)[C@H]1CCCCO1 ZINC000097213062 563981414 /nfs/dbraw/zinc/98/14/14/563981414.db2.gz IAECWYBMRIVUEL-JTTJXQCZSA-N 1 2 341.455 3.522 50 0 EHAALO O=C(NC1(c2cc(F)ccc2F)CC1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097480294 563981574 /nfs/dbraw/zinc/98/15/74/563981574.db2.gz XBPGMZJXBMVUHW-UHFFFAOYSA-N 1 2 339.345 3.774 50 0 EHAALO O=C(NCCCn1ccc2ccccc21)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097742687 563981853 /nfs/dbraw/zinc/98/18/53/563981853.db2.gz MNPULGKXSDXCPW-UHFFFAOYSA-N 1 2 344.418 3.852 50 0 EHAALO CN(Cc1[nH+]ccn1C)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000061072138 563992618 /nfs/dbraw/zinc/99/26/18/563992618.db2.gz FOWOWXBDPVVPGN-UHFFFAOYSA-N 1 2 337.448 3.519 50 0 EHAALO Cc1c(C(=O)Nc2c(C)cc(C)[nH+]c2C)cnn1-c1ccccc1F ZINC000121120303 563993930 /nfs/dbraw/zinc/99/39/30/563993930.db2.gz DZTZOOVGUYWEKH-UHFFFAOYSA-N 1 2 338.386 3.892 50 0 EHAALO COc1cccc(Cl)c1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000252482368 563997715 /nfs/dbraw/zinc/99/77/15/563997715.db2.gz DDXRMVLEMNKRRU-UHFFFAOYSA-N 1 2 345.834 3.855 50 0 EHAALO COc1ccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2C(C)C)cc1 ZINC000000787278 563998119 /nfs/dbraw/zinc/99/81/19/563998119.db2.gz DWOLAPLQFSKEGK-HNNXBMFYSA-N 1 2 340.423 3.608 50 0 EHAALO C[C@H](Cc1nc2ccccc2s1)[N@H+](C)Cc1nccn1C(F)F ZINC000079326390 564001003 /nfs/dbraw/zinc/00/10/03/564001003.db2.gz HJDASNWUSDLZPU-LLVKDONJSA-N 1 2 336.411 3.951 50 0 EHAALO C[C@H](Cc1nc2ccccc2s1)[N@@H+](C)Cc1nccn1C(F)F ZINC000079326390 564001004 /nfs/dbraw/zinc/00/10/04/564001004.db2.gz HJDASNWUSDLZPU-LLVKDONJSA-N 1 2 336.411 3.951 50 0 EHAALO C[C@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1ccccc1 ZINC000047579054 564026511 /nfs/dbraw/zinc/02/65/11/564026511.db2.gz ZRFJJYSLBWEJQK-LBPRGKRZSA-N 1 2 328.803 3.548 50 0 EHAALO CC[C@H](Cn1cc[nH+]c1)NC(=O)C1c2ccccc2-c2ccccc21 ZINC000223751993 564040762 /nfs/dbraw/zinc/04/07/62/564040762.db2.gz YYSUFDHMORHXIW-OAHLLOKOSA-N 1 2 331.419 3.590 50 0 EHAALO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC[C@@H]2c2ccsc2)no1 ZINC000052531355 564054409 /nfs/dbraw/zinc/05/44/09/564054409.db2.gz YCLOZOSKXOUBFE-SJORKVTESA-N 1 2 345.468 3.545 50 0 EHAALO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N2CCC[C@@H]2c2ccsc2)no1 ZINC000052531355 564054410 /nfs/dbraw/zinc/05/44/10/564054410.db2.gz YCLOZOSKXOUBFE-SJORKVTESA-N 1 2 345.468 3.545 50 0 EHAALO Cc1ccc(O[C@@H](C)C(=O)N[C@@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000012529369 564058225 /nfs/dbraw/zinc/05/82/25/564058225.db2.gz CMDBWKADAXLMMA-LPHOPBHVSA-N 1 2 349.434 3.586 50 0 EHAALO Cc1c(C(=O)Nc2ccc[nH+]c2N(C)C)sc2nc(C)cc(C)c12 ZINC000084114806 564066741 /nfs/dbraw/zinc/06/67/41/564066741.db2.gz QQOYKJMWUCTSQL-UHFFFAOYSA-N 1 2 340.452 3.935 50 0 EHAALO Cc1[nH+]cc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=N[C@H]2O ZINC000005116499 564072598 /nfs/dbraw/zinc/07/25/98/564072598.db2.gz ZYISITHKPKHPKG-SFHVURJKSA-N 1 2 341.773 3.815 50 0 world EHAALO Cc1csc(C2([NH2+]Cc3nc(-c4ccco4)no3)CCCC2)n1 ZINC000078970524 564081122 /nfs/dbraw/zinc/08/11/22/564081122.db2.gz QYASXOVRHSCBOT-UHFFFAOYSA-N 1 2 330.413 3.654 50 0 EHAALO CC(C)Cn1c(Cn2cc[nH+]c2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000006665572 564095688 /nfs/dbraw/zinc/09/56/88/564095688.db2.gz WIPVOMSMHPQTDU-UHFFFAOYSA-N 1 2 339.443 3.532 50 0 EHAALO Clc1ccc(OCCn2c[nH+]c3cc4c(cc32)OCCO4)cc1 ZINC000064794847 564096301 /nfs/dbraw/zinc/09/63/01/564096301.db2.gz AYAORMQFHFRCLL-UHFFFAOYSA-N 1 2 330.771 3.540 50 0 EHAALO CC(C)c1cccc(C(C)C)c1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000065551918 564107464 /nfs/dbraw/zinc/10/74/64/564107464.db2.gz DTHXJYMBRKMJNP-UHFFFAOYSA-N 1 2 347.503 3.729 50 0 EHAALO FC(F)(F)Cn1cc[nH+]c1CSCc1noc2c1CCCC2 ZINC000076068376 564115324 /nfs/dbraw/zinc/11/53/24/564115324.db2.gz OEGQENYHDOJMPA-UHFFFAOYSA-N 1 2 331.363 3.746 50 0 EHAALO CCOc1cc(Cl)ccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000089990946 564116117 /nfs/dbraw/zinc/11/61/17/564116117.db2.gz HNTABTMMGFVWOY-UHFFFAOYSA-N 1 2 348.834 3.804 50 0 EHAALO CCN(CC)c1ccc(CNc2ncnc3c(F)cccc23)c[nH+]1 ZINC000252478921 564119115 /nfs/dbraw/zinc/11/91/15/564119115.db2.gz AXHVCIHZYYKZLZ-UHFFFAOYSA-N 1 2 325.391 3.622 50 0 EHAALO Cc1ccc(C)c([C@@H]([NH2+]Cc2ncnn2CCF)c2ccccc2)c1 ZINC000252492916 564119636 /nfs/dbraw/zinc/11/96/36/564119636.db2.gz MXMQDNMCXNIAKH-FQEVSTJZSA-N 1 2 338.430 3.744 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCSc1nnc(-c2ccncc2)o1 ZINC000195547737 564123721 /nfs/dbraw/zinc/12/37/21/564123721.db2.gz PNFXQRXBWAYANM-UHFFFAOYSA-N 1 2 337.408 3.582 50 0 EHAALO Cc1nc(C)c(-c2nnc(SCc3c[nH+]c4ccccn34)o2)s1 ZINC000079105141 564137884 /nfs/dbraw/zinc/13/78/84/564137884.db2.gz JIOAYNQISUEELI-UHFFFAOYSA-N 1 2 343.437 3.750 50 0 EHAALO Cc1nc(C)c(COC(=O)[C@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000095351255 564139272 /nfs/dbraw/zinc/13/92/72/564139272.db2.gz IIDQMEOAXAUQEP-KRWDZBQOSA-N 1 2 330.453 3.640 50 0 EHAALO Fc1ccc(-c2c[nH]c(C3CCN(c4ncccn4)CC3)[nH+]2)cc1F ZINC000095394316 564139404 /nfs/dbraw/zinc/13/94/04/564139404.db2.gz QLMHRRZCKBEXNH-UHFFFAOYSA-N 1 2 341.365 3.529 50 0 EHAALO Cc1c([C@@H](C)[NH2+]Cc2cccc(C)n2)nnn1-c1ccc(Cl)cc1 ZINC000095420624 564139964 /nfs/dbraw/zinc/13/99/64/564139964.db2.gz JKVDCHYUTFFCJT-CYBMUJFWSA-N 1 2 341.846 3.783 50 0 EHAALO CCC(=O)Nc1ccc2c(c1)nc1n2CC[N@@H+](C2CCCCC2)C1 ZINC000095545666 564141734 /nfs/dbraw/zinc/14/17/34/564141734.db2.gz OKZHJACMLDUHPK-UHFFFAOYSA-N 1 2 326.444 3.533 50 0 EHAALO CCC(=O)Nc1ccc2c(c1)nc1n2CC[N@H+](C2CCCCC2)C1 ZINC000095545666 564141735 /nfs/dbraw/zinc/14/17/35/564141735.db2.gz OKZHJACMLDUHPK-UHFFFAOYSA-N 1 2 326.444 3.533 50 0 EHAALO Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1nnc3n1CCCCC3)CCCO2 ZINC000096476383 564148449 /nfs/dbraw/zinc/14/84/49/564148449.db2.gz JBEPFXNFBRSVAF-QGZVFWFLSA-N 1 2 340.471 3.625 50 0 EHAALO Nc1[nH+]cnc(NCc2ccc(Oc3ccc(F)cc3)nc2)c1Cl ZINC000097238123 564149606 /nfs/dbraw/zinc/14/96/06/564149606.db2.gz GPXWESUCIZNMLU-UHFFFAOYSA-N 1 2 345.765 3.651 50 0 EHAALO Nc1nc[nH+]c(NCc2ccc(Oc3ccc(F)cc3)nc2)c1Cl ZINC000097238123 564149607 /nfs/dbraw/zinc/14/96/07/564149607.db2.gz GPXWESUCIZNMLU-UHFFFAOYSA-N 1 2 345.765 3.651 50 0 EHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000057553768 564154945 /nfs/dbraw/zinc/15/49/45/564154945.db2.gz HJDQJCCZOMYPBX-HNNXBMFYSA-N 1 2 331.419 3.773 50 0 EHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000057553768 564154946 /nfs/dbraw/zinc/15/49/46/564154946.db2.gz HJDQJCCZOMYPBX-HNNXBMFYSA-N 1 2 331.419 3.773 50 0 EHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C(C)C)cc2O)c1C ZINC000057557936 564154958 /nfs/dbraw/zinc/15/49/58/564154958.db2.gz YTRYIBSTZRIOMJ-UHFFFAOYSA-N 1 2 342.439 3.808 50 0 EHAALO CC[C@H]1CCCC[N@@H+]1Cn1nc(-c2ccc3c(c2)OCO3)oc1=S ZINC000003287384 564156990 /nfs/dbraw/zinc/15/69/90/564156990.db2.gz VOBWHGLKDSOVIN-ZDUSSCGKSA-N 1 2 347.440 3.823 50 0 EHAALO CC[C@H]1CCCC[N@H+]1Cn1nc(-c2ccc3c(c2)OCO3)oc1=S ZINC000003287384 564156991 /nfs/dbraw/zinc/15/69/91/564156991.db2.gz VOBWHGLKDSOVIN-ZDUSSCGKSA-N 1 2 347.440 3.823 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000008134466 564163126 /nfs/dbraw/zinc/16/31/26/564163126.db2.gz UWRPUKYHLINCGX-UHFFFAOYSA-N 1 2 347.340 3.794 50 0 EHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(C)ccc2C)cc1F ZINC000008184164 564163356 /nfs/dbraw/zinc/16/33/56/564163356.db2.gz NFIACJKKBRVMPD-UHFFFAOYSA-N 1 2 330.403 3.522 50 0 EHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C)ccc2C)cc1F ZINC000008184164 564163357 /nfs/dbraw/zinc/16/33/57/564163357.db2.gz NFIACJKKBRVMPD-UHFFFAOYSA-N 1 2 330.403 3.522 50 0 EHAALO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000066763934 564164037 /nfs/dbraw/zinc/16/40/37/564164037.db2.gz GTJNCAXDRRUVFP-GOSISDBHSA-N 1 2 346.434 3.677 50 0 EHAALO CSc1ccc([C@H](CNC(C)=O)[N@@H+]2CCc3sccc3C2)cc1 ZINC000040108572 564168107 /nfs/dbraw/zinc/16/81/07/564168107.db2.gz FNKJSJOFORWXNV-KRWDZBQOSA-N 1 2 346.521 3.706 50 0 EHAALO CSc1ccc([C@H](CNC(C)=O)[N@H+]2CCc3sccc3C2)cc1 ZINC000040108572 564168108 /nfs/dbraw/zinc/16/81/08/564168108.db2.gz FNKJSJOFORWXNV-KRWDZBQOSA-N 1 2 346.521 3.706 50 0 EHAALO O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069699731 564171542 /nfs/dbraw/zinc/17/15/42/564171542.db2.gz DOEHKWQTLKROTL-FQEVSTJZSA-N 1 2 345.446 3.879 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)cc1)c1cccc(F)c1 ZINC000009317621 564172589 /nfs/dbraw/zinc/17/25/89/564172589.db2.gz IBHRKKXMRUHJCG-INIZCTEOSA-N 1 2 342.349 3.609 50 0 EHAALO CC[N@H+](CCCNC(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC000009920064 564174817 /nfs/dbraw/zinc/17/48/17/564174817.db2.gz BIVGRZWNMYIBMX-UHFFFAOYSA-N 1 2 339.464 3.943 50 0 EHAALO CC[N@@H+](CCCNC(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC000009920064 564174818 /nfs/dbraw/zinc/17/48/18/564174818.db2.gz BIVGRZWNMYIBMX-UHFFFAOYSA-N 1 2 339.464 3.943 50 0 EHAALO CCn1cc[nH+]c1CSc1n[nH]c(-c2cc(Cl)ccc2OC)n1 ZINC000071851882 564176012 /nfs/dbraw/zinc/17/60/12/564176012.db2.gz WBAJJTKIEDLTKN-UHFFFAOYSA-N 1 2 349.847 3.642 50 0 EHAALO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H](c2ccccc2)C1 ZINC000338169958 1018720300 /nfs/dbraw/zinc/72/03/00/1018720300.db2.gz IGHWMTCPEMKSIH-FQEVSTJZSA-N 1 2 331.419 3.561 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000581807737 1035599947 /nfs/dbraw/zinc/59/99/47/1035599947.db2.gz MVCVEVABXTWELS-HXUWFJFHSA-N 1 2 345.446 3.875 50 0 EHAALO COc1ccc(OCc2nc(CNc3cc[nH+]cc3F)cs2)cc1 ZINC000192149395 1137025927 /nfs/dbraw/zinc/02/59/27/1137025927.db2.gz XEINOTGKLUOWSQ-UHFFFAOYSA-N 1 2 345.399 3.877 50 0 EHAALO C[C@@H](c1ccccc1)[N@H+](C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000952884200 1137483392 /nfs/dbraw/zinc/48/33/92/1137483392.db2.gz VZYSVIHMLXNSAJ-GXTWGEPZSA-N 1 2 338.377 3.596 50 0 EHAALO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000952884200 1137483393 /nfs/dbraw/zinc/48/33/93/1137483393.db2.gz VZYSVIHMLXNSAJ-GXTWGEPZSA-N 1 2 338.377 3.596 50 0 EHAALO Cc1cc(C)n(C2C[NH+](Cc3ccc4cccc(Cl)c4n3)C2)n1 ZINC000097696366 219048317 /nfs/dbraw/zinc/04/83/17/219048317.db2.gz MBHHLYCONCLJFJ-UHFFFAOYSA-N 1 2 326.831 3.758 50 0 EHAALO CC(C)(C)C(=O)N[C@@H]([NH2+]C1CCCCC1)C(Cl)(Cl)Cl ZINC000019286819 202002828 /nfs/dbraw/zinc/00/28/28/202002828.db2.gz XHOUYHOVQHYXQI-SNVBAGLBSA-N 1 2 329.699 3.767 50 0 EHAALO CCCC12CN3CC(CCC)(C[NH+](C1)C3c1cccc(C)c1)C2=O ZINC000019323251 202004194 /nfs/dbraw/zinc/00/41/94/202004194.db2.gz VOBNRMNZAJYQOA-UHFFFAOYSA-N 1 2 326.484 3.781 50 0 biogenic EHAALO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](c1cccs1)C(C)C ZINC000040023432 213251415 /nfs/dbraw/zinc/25/14/15/213251415.db2.gz WDDROPJPUCAMCW-GOSISDBHSA-N 1 2 327.453 3.920 50 0 EHAALO Cn1cc[nH+]c1CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000183350072 235021011 /nfs/dbraw/zinc/02/10/11/235021011.db2.gz MNQWTFMSXQWUPH-LBPRGKRZSA-N 1 2 337.267 3.832 50 0 EHAALO Cc1ccc(-c2n[nH]c3c2C[N@H+](Cc2cc(C(C)(C)C)n[nH]2)CC3)cc1 ZINC000020917955 202058567 /nfs/dbraw/zinc/05/85/67/202058567.db2.gz FBAVQOXNJYPXPQ-UHFFFAOYSA-N 1 2 349.482 3.964 50 0 EHAALO Cc1ccc(-c2n[nH]c3c2C[N@@H+](Cc2cc(C(C)(C)C)n[nH]2)CC3)cc1 ZINC000020917955 202058570 /nfs/dbraw/zinc/05/85/70/202058570.db2.gz FBAVQOXNJYPXPQ-UHFFFAOYSA-N 1 2 349.482 3.964 50 0 EHAALO Clc1ccc(-c2nnc(C[N@@H+]3CCc4ccccc4C3)o2)cc1 ZINC000023748522 202108318 /nfs/dbraw/zinc/10/83/18/202108318.db2.gz YMGYUXKQJSOFLP-UHFFFAOYSA-N 1 2 325.799 3.948 50 0 EHAALO Clc1ccc(-c2nnc(C[N@H+]3CCc4ccccc4C3)o2)cc1 ZINC000023748522 202108320 /nfs/dbraw/zinc/10/83/20/202108320.db2.gz YMGYUXKQJSOFLP-UHFFFAOYSA-N 1 2 325.799 3.948 50 0 EHAALO Cc1[nH]c2ccccc2c1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000024750099 202120466 /nfs/dbraw/zinc/12/04/66/202120466.db2.gz VKBMKRDALFAGLE-UHFFFAOYSA-N 1 2 344.418 3.651 50 0 EHAALO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)sc1C ZINC000029987123 202191980 /nfs/dbraw/zinc/19/19/80/202191980.db2.gz QUWUCDJAECYXFP-MRXNPFEDSA-N 1 2 343.427 3.757 50 0 EHAALO C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2F)[C@@H](c2ccccc2)C1 ZINC000030030122 202193990 /nfs/dbraw/zinc/19/39/90/202193990.db2.gz SRUHWXZUPWPKRG-QGZVFWFLSA-N 1 2 332.806 3.608 50 0 EHAALO C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2F)[C@@H](c2ccccc2)C1 ZINC000030030122 202193994 /nfs/dbraw/zinc/19/39/94/202193994.db2.gz SRUHWXZUPWPKRG-QGZVFWFLSA-N 1 2 332.806 3.608 50 0 EHAALO O=C(CCc1c[nH+]c[nH]1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000189545191 237009145 /nfs/dbraw/zinc/00/91/45/237009145.db2.gz ZJKADFFRTDOZMZ-OAQYLSRUSA-N 1 2 345.446 3.711 50 0 EHAALO O=C(CCc1c[nH]c[nH+]1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000189545191 237009153 /nfs/dbraw/zinc/00/91/53/237009153.db2.gz ZJKADFFRTDOZMZ-OAQYLSRUSA-N 1 2 345.446 3.711 50 0 EHAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2csc(-c3cccs3)n2)cn1 ZINC000069740398 202291853 /nfs/dbraw/zinc/29/18/53/202291853.db2.gz IBRSNOBWTPFLHD-CQSZACIVSA-N 1 2 330.482 3.942 50 0 EHAALO Cn1cc([C@H]2CCC[N@H+]2Cc2csc(-c3cccs3)n2)cn1 ZINC000069740398 202291857 /nfs/dbraw/zinc/29/18/57/202291857.db2.gz IBRSNOBWTPFLHD-CQSZACIVSA-N 1 2 330.482 3.942 50 0 EHAALO COc1c([C@@H]2CCC[N@@H+]2Cc2csc(C(C)C)n2)c(C)nn1C ZINC000072253761 202359275 /nfs/dbraw/zinc/35/92/75/202359275.db2.gz KFVWWUHHDFCURF-AWEZNQCLSA-N 1 2 334.489 3.654 50 0 EHAALO COc1c([C@@H]2CCC[N@H+]2Cc2csc(C(C)C)n2)c(C)nn1C ZINC000072253761 202359277 /nfs/dbraw/zinc/35/92/77/202359277.db2.gz KFVWWUHHDFCURF-AWEZNQCLSA-N 1 2 334.489 3.654 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[NH+]1CCCCC1)S2 ZINC000023156840 212357380 /nfs/dbraw/zinc/35/73/80/212357380.db2.gz UOINFQRIAUZIPL-HNNXBMFYSA-N 1 2 342.468 3.689 50 0 EHAALO CCOc1ccc(CNC(=O)c2cccn2-c2ccc[nH+]c2C)cc1 ZINC000064839266 202819039 /nfs/dbraw/zinc/81/90/39/202819039.db2.gz GTQHPGXVJFYZMC-UHFFFAOYSA-N 1 2 335.407 3.509 50 0 EHAALO CCOc1ccc2c(c1)C[N@H+]([C@@H](C)c1nnc(CC(C)C)o1)CC2 ZINC000069842934 203055176 /nfs/dbraw/zinc/05/51/76/203055176.db2.gz JEDPORHDQMMORU-AWEZNQCLSA-N 1 2 329.444 3.786 50 0 EHAALO CCOc1ccc2c(c1)C[N@@H+]([C@@H](C)c1nnc(CC(C)C)o1)CC2 ZINC000069842934 203055181 /nfs/dbraw/zinc/05/51/81/203055181.db2.gz JEDPORHDQMMORU-AWEZNQCLSA-N 1 2 329.444 3.786 50 0 EHAALO c1cnn(-c2cccc(-c3[nH+]ccn3-c3ccc4nccnc4c3)c2)c1 ZINC000071551846 203100306 /nfs/dbraw/zinc/10/03/06/203100306.db2.gz XRIVITAVYIADSU-UHFFFAOYSA-N 1 2 338.374 3.668 50 0 EHAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCCc2ccccc21 ZINC000071799402 203115019 /nfs/dbraw/zinc/11/50/19/203115019.db2.gz UKZJZWAXIOMXBR-UHFFFAOYSA-N 1 2 331.419 3.915 50 0 EHAALO COc1ccc(N(Cc2cccs2)C(=O)[C@@H](C)n2cc[nH+]c2)cc1 ZINC000071896535 203141675 /nfs/dbraw/zinc/14/16/75/203141675.db2.gz YIKDOIWNHUAHAU-CQSZACIVSA-N 1 2 341.436 3.748 50 0 EHAALO Cc1cc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)c[nH+]c1N ZINC000072149758 203173760 /nfs/dbraw/zinc/17/37/60/203173760.db2.gz MRHNNUULNHWBQV-UHFFFAOYSA-N 1 2 330.395 3.523 50 0 EHAALO COC[C@H](C)C1CC[NH+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072432357 203223653 /nfs/dbraw/zinc/22/36/53/203223653.db2.gz PCXLMBKKNYSENT-KRWDZBQOSA-N 1 2 333.516 3.885 50 0 EHAALO Cc1nn2c(nc(C)cc2N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1C ZINC000072439453 203223797 /nfs/dbraw/zinc/22/37/97/203223797.db2.gz UOQLSLSXPJIIIO-GOSISDBHSA-N 1 2 346.438 3.704 50 0 EHAALO Cc1ccc2[nH+]c(COc3cccc(C(=O)N4CCCCC4)c3)cn2c1 ZINC000073435375 203265076 /nfs/dbraw/zinc/26/50/76/203265076.db2.gz MDDCRYLPNRLRNK-UHFFFAOYSA-N 1 2 349.434 3.848 50 0 EHAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CC[C@H](c2ccccc2F)C1 ZINC000077377171 203383835 /nfs/dbraw/zinc/38/38/35/203383835.db2.gz RRQCLHJYBMUKDW-AWEZNQCLSA-N 1 2 335.382 3.846 50 0 EHAALO CC(C)n1cc[nH+]c1CN1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000077407500 203386940 /nfs/dbraw/zinc/38/69/40/203386940.db2.gz MAEPMPILBHNLDF-INIZCTEOSA-N 1 2 327.407 3.817 50 0 EHAALO O=c1ccc(-c2ccc3ccccc3c2)nn1C[NH+]1CCCCCC1 ZINC000079501181 203445745 /nfs/dbraw/zinc/44/57/45/203445745.db2.gz AIXSEHUPEPQVBK-UHFFFAOYSA-N 1 2 333.435 3.897 50 0 EHAALO COc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000082092053 203494526 /nfs/dbraw/zinc/49/45/26/203494526.db2.gz LPCYPDDHWYDDAE-HNNXBMFYSA-N 1 2 347.846 3.630 50 0 EHAALO C[C@@H](c1ccccc1Cl)[N@H+](CC(=O)NCc1ccco1)C1CC1 ZINC000047257561 204335990 /nfs/dbraw/zinc/33/59/90/204335990.db2.gz DVSUBWCOPKMDHA-ZDUSSCGKSA-N 1 2 332.831 3.775 50 0 EHAALO C[C@@H](c1ccccc1Cl)[N@@H+](CC(=O)NCc1ccco1)C1CC1 ZINC000047257561 204335995 /nfs/dbraw/zinc/33/59/95/204335995.db2.gz DVSUBWCOPKMDHA-ZDUSSCGKSA-N 1 2 332.831 3.775 50 0 EHAALO c1sc(-c2ccccn2)nc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000054548252 132192201 /nfs/dbraw/zinc/19/22/01/132192201.db2.gz OBUYTMWKLYIQKP-UHFFFAOYSA-N 1 2 336.464 3.527 50 0 EHAALO COCC[N@H+](Cc1nc2cc(C)ccc2[nH]1)Cc1cccc(OC)c1 ZINC000244594315 536850596 /nfs/dbraw/zinc/85/05/96/536850596.db2.gz DKVCVBFVRNMSDQ-UHFFFAOYSA-N 1 2 339.439 3.529 50 0 EHAALO COCC[N@@H+](Cc1nc2cc(C)ccc2[nH]1)Cc1cccc(OC)c1 ZINC000244594315 536850597 /nfs/dbraw/zinc/85/05/97/536850597.db2.gz DKVCVBFVRNMSDQ-UHFFFAOYSA-N 1 2 339.439 3.529 50 0 EHAALO COCC[N@H+](Cc1nc2ccc(C)cc2[nH]1)Cc1cccc(OC)c1 ZINC000244594315 536850602 /nfs/dbraw/zinc/85/06/02/536850602.db2.gz DKVCVBFVRNMSDQ-UHFFFAOYSA-N 1 2 339.439 3.529 50 0 EHAALO COCC[N@@H+](Cc1nc2ccc(C)cc2[nH]1)Cc1cccc(OC)c1 ZINC000244594315 536850608 /nfs/dbraw/zinc/85/06/08/536850608.db2.gz DKVCVBFVRNMSDQ-UHFFFAOYSA-N 1 2 339.439 3.529 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000000298076 563274901 /nfs/dbraw/zinc/27/49/01/563274901.db2.gz PETJIICBLDVAPR-MRXNPFEDSA-N 1 2 339.782 3.503 50 0 EHAALO Cc1ccc2c(Cl)c(C(=O)NCCCn3cc[nH+]c3)sc2c1 ZINC000002086051 563421880 /nfs/dbraw/zinc/42/18/80/563421880.db2.gz SPPOJDUVCYOHJP-UHFFFAOYSA-N 1 2 333.844 3.880 50 0 EHAALO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000011819260 563651295 /nfs/dbraw/zinc/65/12/95/563651295.db2.gz FDXMSIDIEKEAQH-ZDUSSCGKSA-N 1 2 337.345 3.523 50 0 EHAALO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000011819260 563651299 /nfs/dbraw/zinc/65/12/99/563651299.db2.gz FDXMSIDIEKEAQH-ZDUSSCGKSA-N 1 2 337.345 3.523 50 0 EHAALO c1csc([C@H]([NH2+]Cc2nnnn2-c2ccccc2)c2ccccc2)c1 ZINC000014169568 563746641 /nfs/dbraw/zinc/74/66/41/563746641.db2.gz FBOVOKSICFNKQV-LJQANCHMSA-N 1 2 347.447 3.603 50 0 EHAALO CC(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccoc2)c2ccccc2)c1 ZINC000072284594 563906270 /nfs/dbraw/zinc/90/62/70/563906270.db2.gz SAMKILFWKIXANN-NRFANRHFSA-N 1 2 348.402 3.800 50 0 EHAALO Cc1oc(-c2ccco2)nc1C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000055054213 563933518 /nfs/dbraw/zinc/93/35/18/563933518.db2.gz KGUXJXPTRIPPAM-AWEZNQCLSA-N 1 2 340.379 3.515 50 0 EHAALO Cc1oc(-c2ccco2)nc1C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000055054213 563933521 /nfs/dbraw/zinc/93/35/21/563933521.db2.gz KGUXJXPTRIPPAM-AWEZNQCLSA-N 1 2 340.379 3.515 50 0 EHAALO CC[C@@H](C)[N@H+](Cc1nccn1CCOC)Cc1ccccc1Cl ZINC000055344350 563934434 /nfs/dbraw/zinc/93/44/34/563934434.db2.gz VZLGPBUNZKWUQD-OAHLLOKOSA-N 1 2 335.879 3.984 50 0 EHAALO CC[C@@H](C)[N@@H+](Cc1nccn1CCOC)Cc1ccccc1Cl ZINC000055344350 563934435 /nfs/dbraw/zinc/93/44/35/563934435.db2.gz VZLGPBUNZKWUQD-OAHLLOKOSA-N 1 2 335.879 3.984 50 0 EHAALO Cc1cc([C@@H](C)NC(=O)Cc2cn3cccc(C)c3[nH+]2)c(C)s1 ZINC000058161419 563938394 /nfs/dbraw/zinc/93/83/94/563938394.db2.gz LOIYJPWIKPHOQO-CYBMUJFWSA-N 1 2 327.453 3.741 50 0 EHAALO COc1cc(C[N@H+](C)Cc2c(C)noc2C)c(SC)cc1OC ZINC000096421189 563951521 /nfs/dbraw/zinc/95/15/21/563951521.db2.gz NORHRQVQNFNKTK-UHFFFAOYSA-N 1 2 336.457 3.663 50 0 EHAALO COc1cc(C[N@@H+](C)Cc2c(C)noc2C)c(SC)cc1OC ZINC000096421189 563951522 /nfs/dbraw/zinc/95/15/22/563951522.db2.gz NORHRQVQNFNKTK-UHFFFAOYSA-N 1 2 336.457 3.663 50 0 EHAALO O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000096426794 563952196 /nfs/dbraw/zinc/95/21/96/563952196.db2.gz VNJLMQSEMWAJBP-MRXNPFEDSA-N 1 2 325.799 3.504 50 0 EHAALO COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000096431583 563952654 /nfs/dbraw/zinc/95/26/54/563952654.db2.gz CUYDLXZXCZESEJ-MRXNPFEDSA-N 1 2 349.434 3.584 50 0 EHAALO O=C1C[C@@H](c2[nH]cc[nH+]2)c2cc3c(cc2N1)Nc1ccccc1CC3 ZINC000065396071 563959607 /nfs/dbraw/zinc/95/96/07/563959607.db2.gz BZGDBZKOXYSMTC-OAHLLOKOSA-N 1 2 330.391 3.726 50 0 EHAALO Cc1cccc(-c2nn3c(C[N@@H+](C)Cc4ccccc4)nnc3s2)c1 ZINC000067239837 563962252 /nfs/dbraw/zinc/96/22/52/563962252.db2.gz YTHMRBSONXQLPU-UHFFFAOYSA-N 1 2 349.463 3.793 50 0 EHAALO Cc1cccc(-c2nn3c(C[N@H+](C)Cc4ccccc4)nnc3s2)c1 ZINC000067239837 563962253 /nfs/dbraw/zinc/96/22/53/563962253.db2.gz YTHMRBSONXQLPU-UHFFFAOYSA-N 1 2 349.463 3.793 50 0 EHAALO CCC1=NO[C@@H](C[N@@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)C1 ZINC000067935301 563963074 /nfs/dbraw/zinc/96/30/74/563963074.db2.gz VMLNXBKFHAGWSF-CYBMUJFWSA-N 1 2 347.365 3.533 50 0 EHAALO CCC1=NO[C@@H](C[N@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)C1 ZINC000067935301 563963075 /nfs/dbraw/zinc/96/30/75/563963075.db2.gz VMLNXBKFHAGWSF-CYBMUJFWSA-N 1 2 347.365 3.533 50 0 EHAALO Cc1c[nH+]c(C)nc1N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000067935112 563963106 /nfs/dbraw/zinc/96/31/06/563963106.db2.gz WVCRBFYQVLAFHZ-LJQANCHMSA-N 1 2 345.874 3.568 50 0 EHAALO CSc1nc(C)c(CCC(=O)Nc2c(C)cc(C)[nH+]c2C)c(C)n1 ZINC000097213902 563970474 /nfs/dbraw/zinc/97/04/74/563970474.db2.gz HASDJIDJPSVUCB-UHFFFAOYSA-N 1 2 344.484 3.707 50 0 EHAALO Cc1ccc(SCCCN(C)C(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000091390846 563975346 /nfs/dbraw/zinc/97/53/46/563975346.db2.gz JPHCCCJPXOYTOV-UHFFFAOYSA-N 1 2 339.464 3.897 50 0 EHAALO Cc1ccc(F)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1Cl ZINC000091665378 563975685 /nfs/dbraw/zinc/97/56/85/563975685.db2.gz FMEBNNMWKXLULC-GFCCVEGCSA-N 1 2 335.810 3.541 50 0 EHAALO O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1ccc2[nH+]ccn2c1 ZINC000091755918 563975768 /nfs/dbraw/zinc/97/57/68/563975768.db2.gz WGFFZCYYXZSQOV-UHFFFAOYSA-N 1 2 335.338 3.663 50 0 EHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000092028836 563976007 /nfs/dbraw/zinc/97/60/07/563976007.db2.gz YGDPWHOLHSFYRH-UHFFFAOYSA-N 1 2 333.382 3.762 50 0 EHAALO Fc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cscn2)C3)cc1F ZINC000095368859 563976811 /nfs/dbraw/zinc/97/68/11/563976811.db2.gz XRPFCWANFACEMB-GOEBONIOSA-N 1 2 349.450 3.518 50 0 EHAALO Fc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cscn2)C3)cc1F ZINC000095368859 563976812 /nfs/dbraw/zinc/97/68/12/563976812.db2.gz XRPFCWANFACEMB-GOEBONIOSA-N 1 2 349.450 3.518 50 0 EHAALO Cc1[nH+]c[nH]c1CNC(=O)C[C@H](c1ccccc1)c1ccccc1F ZINC000095505546 563977129 /nfs/dbraw/zinc/97/71/29/563977129.db2.gz DVJOWSXPPXAXTL-QGZVFWFLSA-N 1 2 337.398 3.696 50 0 EHAALO COc1ccc(C(C)(C)C)cc1NC(=O)NC[C@@H](C)n1cc[nH+]c1 ZINC000095519720 563977344 /nfs/dbraw/zinc/97/73/44/563977344.db2.gz VTTAHQMTPJMMEQ-CYBMUJFWSA-N 1 2 330.432 3.572 50 0 EHAALO CCOCCOc1cc[nH+]c(CSc2nc3ccccc3[nH]2)c1C ZINC000096346861 563980762 /nfs/dbraw/zinc/98/07/62/563980762.db2.gz NHXAAAUUIOKQFM-UHFFFAOYSA-N 1 2 343.452 3.974 50 0 EHAALO c1ccc(OC2CCCC2)c(C[N@@H+]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000097813709 563981921 /nfs/dbraw/zinc/98/19/21/563981921.db2.gz GWRCZVYKGGUGJI-OAQYLSRUSA-N 1 2 338.451 3.977 50 0 EHAALO c1ccc(OC2CCCC2)c(C[N@H+]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000097813709 563981922 /nfs/dbraw/zinc/98/19/22/563981922.db2.gz GWRCZVYKGGUGJI-OAQYLSRUSA-N 1 2 338.451 3.977 50 0 EHAALO C[C@H]1C[C@H](C)CN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)C1 ZINC000000551396 564022984 /nfs/dbraw/zinc/02/29/84/564022984.db2.gz WTNKZJVGLHPLRW-STQMWFEESA-N 1 2 341.846 3.951 50 0 EHAALO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@H]1c1ccsc1 ZINC000106825774 564026654 /nfs/dbraw/zinc/02/66/54/564026654.db2.gz DSEKTAKOZHZRTG-RDJZCZTQSA-N 1 2 341.480 3.723 50 0 EHAALO COc1ccc(Oc2cc(C[NH2+]Cc3csc(C)n3)ccn2)cc1 ZINC000048745400 564032165 /nfs/dbraw/zinc/03/21/65/564032165.db2.gz XRNONWOFTRYUBF-UHFFFAOYSA-N 1 2 341.436 3.937 50 0 EHAALO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000049580955 564032831 /nfs/dbraw/zinc/03/28/31/564032831.db2.gz IREBIZXNLBFQTF-WDEREUQCSA-N 1 2 329.350 3.613 50 0 EHAALO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(F)c(F)c1 ZINC000049580956 564032836 /nfs/dbraw/zinc/03/28/36/564032836.db2.gz IREBIZXNLBFQTF-GHMZBOCLSA-N 1 2 329.350 3.613 50 0 EHAALO C[N@H+](CC(=O)Nc1cccc(Br)c1)Cc1ccsc1 ZINC000007926860 564034662 /nfs/dbraw/zinc/03/46/62/564034662.db2.gz IWZMZGWSDWBVRP-UHFFFAOYSA-N 1 2 339.258 3.581 50 0 EHAALO C[N@@H+](CC(=O)Nc1cccc(Br)c1)Cc1ccsc1 ZINC000007926860 564034663 /nfs/dbraw/zinc/03/46/63/564034663.db2.gz IWZMZGWSDWBVRP-UHFFFAOYSA-N 1 2 339.258 3.581 50 0 EHAALO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000024808361 564036703 /nfs/dbraw/zinc/03/67/03/564036703.db2.gz QFIYKKFKEOOQMZ-NSHDSACASA-N 1 2 348.237 3.820 50 0 EHAALO O=C(NCC1(c2ccccc2)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040051193 564044767 /nfs/dbraw/zinc/04/47/67/564044767.db2.gz BGXOKPAXTCSMDR-UHFFFAOYSA-N 1 2 331.419 3.724 50 0 EHAALO CC(C)(C)c1nc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)no1 ZINC000052611748 564054488 /nfs/dbraw/zinc/05/44/88/564054488.db2.gz PMRQMSPQNPYFMQ-ZDUSSCGKSA-N 1 2 340.427 3.888 50 0 EHAALO CC(C)(C)c1nc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)no1 ZINC000052611748 564054489 /nfs/dbraw/zinc/05/44/89/564054489.db2.gz PMRQMSPQNPYFMQ-ZDUSSCGKSA-N 1 2 340.427 3.888 50 0 EHAALO Cc1occc1-c1nnc(SCc2cn3cccc(C)c3[nH+]2)o1 ZINC000005982379 564057415 /nfs/dbraw/zinc/05/74/15/564057415.db2.gz BAYVLPLHARYLLB-UHFFFAOYSA-N 1 2 326.381 3.886 50 0 EHAALO Cc1occc1-c1nnc(SCc2cn3cc(C)ccc3[nH+]2)o1 ZINC000005982378 564057434 /nfs/dbraw/zinc/05/74/34/564057434.db2.gz IYFQMCODGWGEIQ-UHFFFAOYSA-N 1 2 326.381 3.886 50 0 EHAALO O=C(CCCc1cccs1)N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000012538867 564058506 /nfs/dbraw/zinc/05/85/06/564058506.db2.gz NWOKIROWXGOTIP-QGZVFWFLSA-N 1 2 339.464 3.894 50 0 EHAALO CCCc1ccc(C(=O)NCC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000043975613 564058946 /nfs/dbraw/zinc/05/89/46/564058946.db2.gz JVSYTBVAYTVTIT-UHFFFAOYSA-N 1 2 337.467 3.681 50 0 EHAALO CC(C)Cn1c[nH+]cc1CNC(=O)N1CC=C(c2ccccc2)CC1 ZINC000534639358 564061409 /nfs/dbraw/zinc/06/14/09/564061409.db2.gz WNSUTZRSHYUKJB-UHFFFAOYSA-N 1 2 338.455 3.538 50 0 EHAALO Cn1c2c([nH+]c1C1CC1)CN(Cc1cc(-c3ccccc3)no1)CC2 ZINC000084310889 564067735 /nfs/dbraw/zinc/06/77/35/564067735.db2.gz FARWTAJCMDHQCZ-UHFFFAOYSA-N 1 2 334.423 3.511 50 0 EHAALO Cc1cc(C)c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)o1 ZINC000087258915 564068342 /nfs/dbraw/zinc/06/83/42/564068342.db2.gz XEOUULAPIQUZHT-ZWKOTPCHSA-N 1 2 335.407 3.752 50 0 EHAALO O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575611716 564082677 /nfs/dbraw/zinc/08/26/77/564082677.db2.gz GUOUYVMAKHGUOW-MOTZXUDYSA-N 1 2 342.826 3.818 50 0 EHAALO CC(=O)c1ccc(C(=O)N2CC[C@@H](n3c(C)[nH+]c4ccccc43)C2)cc1 ZINC000575615124 564083377 /nfs/dbraw/zinc/08/33/77/564083377.db2.gz BLSDXHHFKLADPU-GOSISDBHSA-N 1 2 347.418 3.635 50 0 EHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000242346842 564088529 /nfs/dbraw/zinc/08/85/29/564088529.db2.gz ZJOIEQHZKDKAPB-CFVMTHIKSA-N 1 2 346.452 3.709 50 0 EHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000242346842 564088530 /nfs/dbraw/zinc/08/85/30/564088530.db2.gz ZJOIEQHZKDKAPB-CFVMTHIKSA-N 1 2 346.452 3.709 50 0 EHAALO CC(C)c1nsc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000092693632 564089084 /nfs/dbraw/zinc/08/90/84/564089084.db2.gz PSXMOKLBUKNIKG-ZIAGYGMSSA-N 1 2 338.427 3.797 50 0 EHAALO CC(C)c1nsc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000092693632 564089085 /nfs/dbraw/zinc/08/90/85/564089085.db2.gz PSXMOKLBUKNIKG-ZIAGYGMSSA-N 1 2 338.427 3.797 50 0 EHAALO CC(C)n1cc[nH+]c1CNC(=O)c1ccc2cccc(Cl)c2n1 ZINC000426529510 564093984 /nfs/dbraw/zinc/09/39/84/564093984.db2.gz XETPAKJGXNUHNS-UHFFFAOYSA-N 1 2 328.803 3.596 50 0 EHAALO CCOC(=O)[C@@]1(C)CCC[N@@H+]1Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000089978201 564115972 /nfs/dbraw/zinc/11/59/72/564115972.db2.gz QJXJYVQQFNDMPH-HXUWFJFHSA-N 1 2 331.456 3.732 50 0 EHAALO CCOC(=O)[C@@]1(C)CCC[N@H+]1Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000089978201 564115973 /nfs/dbraw/zinc/11/59/73/564115973.db2.gz QJXJYVQQFNDMPH-HXUWFJFHSA-N 1 2 331.456 3.732 50 0 EHAALO COc1c2c(cc3c1[C@H](Nc1cccc(Cl)c1)[N@H+](C)CC3)OCO2 ZINC000002128261 564118480 /nfs/dbraw/zinc/11/84/80/564118480.db2.gz BBMBUPXJBABROB-GOSISDBHSA-N 1 2 346.814 3.676 50 0 biogenic EHAALO COc1c2c(cc3c1[C@H](Nc1cccc(Cl)c1)[N@@H+](C)CC3)OCO2 ZINC000002128261 564118481 /nfs/dbraw/zinc/11/84/81/564118481.db2.gz BBMBUPXJBABROB-GOSISDBHSA-N 1 2 346.814 3.676 50 0 biogenic EHAALO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)Nc2ccncc2)CC1 ZINC000092976803 564136816 /nfs/dbraw/zinc/13/68/16/564136816.db2.gz GAROYPBFKFJXPH-UHFFFAOYSA-N 1 2 349.438 3.863 50 0 EHAALO CCCC[C@H]([NH2+][C@H](C)c1csc(C)n1)C(=O)Nc1cc(C)on1 ZINC000079030765 564137708 /nfs/dbraw/zinc/13/77/08/564137708.db2.gz CXMPSENTPSYDLB-YPMHNXCESA-N 1 2 336.461 3.596 50 0 EHAALO CCOc1ccccc1C[N@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000079099710 564137864 /nfs/dbraw/zinc/13/78/64/564137864.db2.gz HFQFREFUMVVLJH-AWEZNQCLSA-N 1 2 338.411 3.723 50 0 EHAALO CCOc1ccccc1C[N@@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000079099710 564137865 /nfs/dbraw/zinc/13/78/65/564137865.db2.gz HFQFREFUMVVLJH-AWEZNQCLSA-N 1 2 338.411 3.723 50 0 EHAALO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3ccsc3)C2)o1 ZINC000093768203 564138026 /nfs/dbraw/zinc/13/80/26/564138026.db2.gz BKUOWGFZFIAEOA-MRXNPFEDSA-N 1 2 329.425 3.613 50 0 EHAALO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3ccsc3)C2)o1 ZINC000093768203 564138027 /nfs/dbraw/zinc/13/80/27/564138027.db2.gz BKUOWGFZFIAEOA-MRXNPFEDSA-N 1 2 329.425 3.613 50 0 EHAALO COc1ccc(OC)c(C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000095377581 564139368 /nfs/dbraw/zinc/13/93/68/564139368.db2.gz OQLUDNKCYVGCKR-OAQYLSRUSA-N 1 2 334.419 3.978 50 0 EHAALO Cc1cccc([S@@](=O)Cc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000095409394 564139619 /nfs/dbraw/zinc/13/96/19/564139619.db2.gz QOMDBSKYZAAHNI-HXUWFJFHSA-N 1 2 349.253 3.713 50 0 EHAALO Cc1c([C@H](C)[NH2+]Cc2cccc(C)n2)nnn1-c1ccc(Cl)cc1 ZINC000095420623 564139974 /nfs/dbraw/zinc/13/99/74/564139974.db2.gz JKVDCHYUTFFCJT-ZDUSSCGKSA-N 1 2 341.846 3.783 50 0 EHAALO Cc1cccc2[nH+]c(C[S@](=O)Cc3ccccc3OC(C)C)cn21 ZINC000095440959 564140498 /nfs/dbraw/zinc/14/04/98/564140498.db2.gz OEUWKEYSBQFPDV-DEOSSOPVSA-N 1 2 342.464 3.879 50 0 EHAALO C[C@@H]([NH2+]Cc1csc([C@H]2CCCO2)n1)c1ccc2c(c1)OCCO2 ZINC000095984276 564143835 /nfs/dbraw/zinc/14/38/35/564143835.db2.gz BUNDBLXGKLNYFN-MLGOLLRUSA-N 1 2 346.452 3.617 50 0 EHAALO CC[C@H](C)[C@@H](C(=O)NCCc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000096408416 564147483 /nfs/dbraw/zinc/14/74/83/564147483.db2.gz QJGFMYVONKZVLJ-XJKSGUPXSA-N 1 2 335.398 3.767 50 0 EHAALO CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008346277 564164683 /nfs/dbraw/zinc/16/46/83/564164683.db2.gz UOZBAMRLXPCNDN-UZLBHIALSA-N 1 2 349.434 3.907 50 0 EHAALO CC(C)c1nnc(N2CCC(c3[nH+]c4ccccc4n3C)CC2)s1 ZINC000670472614 564166135 /nfs/dbraw/zinc/16/61/35/564166135.db2.gz WPSULLVQIXPCLV-UHFFFAOYSA-N 1 2 341.484 3.932 50 0 EHAALO Fc1ccc(C[N@H+](Cc2csc(-c3ncccn3)n2)C2CC2)cc1 ZINC000069350167 564168904 /nfs/dbraw/zinc/16/89/04/564168904.db2.gz JIQLVLBDOVHZSZ-UHFFFAOYSA-N 1 2 340.427 3.904 50 0 EHAALO Fc1ccc(C[N@@H+](Cc2csc(-c3ncccn3)n2)C2CC2)cc1 ZINC000069350167 564168905 /nfs/dbraw/zinc/16/89/05/564168905.db2.gz JIQLVLBDOVHZSZ-UHFFFAOYSA-N 1 2 340.427 3.904 50 0 EHAALO Cn1c(C[N@H+](C)Cc2ccccc2-c2ccccc2)nnc1C1CC1 ZINC000069375651 564169082 /nfs/dbraw/zinc/16/90/82/564169082.db2.gz ICACQHDTFFLOSO-UHFFFAOYSA-N 1 2 332.451 3.992 50 0 EHAALO Cn1c(C[N@@H+](C)Cc2ccccc2-c2ccccc2)nnc1C1CC1 ZINC000069375651 564169083 /nfs/dbraw/zinc/16/90/83/564169083.db2.gz ICACQHDTFFLOSO-UHFFFAOYSA-N 1 2 332.451 3.992 50 0 EHAALO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccsc1 ZINC000174910101 564175057 /nfs/dbraw/zinc/17/50/57/564175057.db2.gz PFTCKINYHIYRLH-UHFFFAOYSA-N 1 2 329.469 3.522 50 0 EHAALO Cn1cnc2c1CC[N@H+](CCOC(c1ccccc1)c1ccccc1)C2 ZINC000071878972 564176300 /nfs/dbraw/zinc/17/63/00/564176300.db2.gz FQRLMIUPCPQADI-UHFFFAOYSA-N 1 2 347.462 3.584 50 0 EHAALO Cn1cnc2c1CC[N@@H+](CCOC(c1ccccc1)c1ccccc1)C2 ZINC000071878972 564176301 /nfs/dbraw/zinc/17/63/01/564176301.db2.gz FQRLMIUPCPQADI-UHFFFAOYSA-N 1 2 347.462 3.584 50 0 EHAALO Cn1c[nH+]c2c1CCN(CCOC(c1ccccc1)c1ccccc1)C2 ZINC000071878972 564176302 /nfs/dbraw/zinc/17/63/02/564176302.db2.gz FQRLMIUPCPQADI-UHFFFAOYSA-N 1 2 347.462 3.584 50 0 EHAALO Cc1ncccc1C[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000375157046 564177680 /nfs/dbraw/zinc/17/76/80/564177680.db2.gz DIBCWHDQJZULHW-GOSISDBHSA-N 1 2 326.831 3.656 50 0 EHAALO CC1=[NH+]C[C@H]2CN=C(c3ccccc3F)c3cc(Cl)ccc3N12 ZINC000066331801 568415341 /nfs/dbraw/zinc/41/53/41/568415341.db2.gz UUGUSEWJNOCDEF-ZDUSSCGKSA-N 1 2 327.790 3.937 50 0 EHAALO CCc1nnc(CN(Cc2c[nH+]cn2C2CCCCC2)C(C)C)o1 ZINC000252500582 568419064 /nfs/dbraw/zinc/41/90/64/568419064.db2.gz SYJVKUMAMOCBDQ-UHFFFAOYSA-N 1 2 331.464 3.744 50 0 EHAALO Cc1c[nH+]c([C@@H]2CCN(C(=O)Nc3ccccc3F)C2)n1C(C)C ZINC000169788007 1032652797 /nfs/dbraw/zinc/65/27/97/1032652797.db2.gz SPTJGSYSBPPOIU-CQSZACIVSA-N 1 2 330.407 3.933 50 0 EHAALO Cc1ccc2c(cc(CN3CC[NH+](Cc4cccc(O)c4)CC3)n2C)c1 ZINC000825206775 1131257401 /nfs/dbraw/zinc/25/74/01/1131257401.db2.gz ANCYQWWNZWCWFV-UHFFFAOYSA-N 1 2 349.478 3.510 50 0 EHAALO Cc1ccc2occ(C[N@@H+]3Cc4ccccc4O[C@@H](C)C3)c(=O)c2c1 ZINC000011999724 1129250611 /nfs/dbraw/zinc/25/06/11/1129250611.db2.gz BDFGDTYUOAPMPK-HNNXBMFYSA-N 1 2 335.403 3.885 50 0 EHAALO Cc1ccc2occ(C[N@H+]3Cc4ccccc4O[C@@H](C)C3)c(=O)c2c1 ZINC000011999724 1129250615 /nfs/dbraw/zinc/25/06/15/1129250615.db2.gz BDFGDTYUOAPMPK-HNNXBMFYSA-N 1 2 335.403 3.885 50 0 EHAALO OCC[C@@H]1CN(CCCC2CCCC2)CC[N@@H+]1Cc1cccs1 ZINC000828747117 1131443962 /nfs/dbraw/zinc/44/39/62/1131443962.db2.gz FNKSPMZVRZKNPM-GOSISDBHSA-N 1 2 336.545 3.587 50 0 EHAALO OCC[C@@H]1CN(CCCC2CCCC2)CC[N@H+]1Cc1cccs1 ZINC000828747117 1131443963 /nfs/dbraw/zinc/44/39/63/1131443963.db2.gz FNKSPMZVRZKNPM-GOSISDBHSA-N 1 2 336.545 3.587 50 0 EHAALO Cc1c[nH+]c(-c2ccncc2)n1C1CCN(C(=O)C2CCCC2)CC1 ZINC000575548701 1131572598 /nfs/dbraw/zinc/57/25/98/1131572598.db2.gz GANILANKXJIOJU-UHFFFAOYSA-N 1 2 338.455 3.607 50 0 EHAALO CCCCN(Cc1ccco1)C(=O)Cc1ccc2[nH]c(C)[nH+]c2c1 ZINC000055359229 214310996 /nfs/dbraw/zinc/31/09/96/214310996.db2.gz JWLZVDGMYZDPCI-UHFFFAOYSA-N 1 2 325.412 3.836 50 0 EHAALO CCCCN(Cc1ccco1)C(=O)Cc1ccc2[nH+]c(C)[nH]c2c1 ZINC000055359229 214311000 /nfs/dbraw/zinc/31/10/00/214311000.db2.gz JWLZVDGMYZDPCI-UHFFFAOYSA-N 1 2 325.412 3.836 50 0 EHAALO c1[nH]c2c([nH+]1)CCN(Cc1cccnc1)[C@@H]2c1ccnc2ccccc21 ZINC000067755515 215203196 /nfs/dbraw/zinc/20/31/96/215203196.db2.gz DYNXBUMRNYERBP-OAQYLSRUSA-N 1 2 341.418 3.501 50 0 EHAALO Fc1cccc(-c2[nH+]ccn2Cc2noc(Cc3ccccc3)n2)c1 ZINC000067754594 215203301 /nfs/dbraw/zinc/20/33/01/215203301.db2.gz QKGZSFALBNJYKA-UHFFFAOYSA-N 1 2 334.354 3.711 50 0 EHAALO CSc1ccc([C@H]2c3[nH]c[nH+]c3CCN2Cc2ccccn2)cc1 ZINC000067754584 215203315 /nfs/dbraw/zinc/20/33/15/215203315.db2.gz KAVNZGXWUAVHCL-IBGZPJMESA-N 1 2 336.464 3.674 50 0 EHAALO CCn1c(C)nnc1C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000181642413 234264317 /nfs/dbraw/zinc/26/43/17/234264317.db2.gz MOJLBFHDPSUUSC-MRVPVSSYSA-N 1 2 331.222 3.903 50 0 EHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2ccccc2c1 ZINC000019922527 202026365 /nfs/dbraw/zinc/02/63/65/202026365.db2.gz SFGXIWSQLBGLGE-UHFFFAOYSA-N 1 2 346.430 3.924 50 0 EHAALO CCCCN1c2ccccc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000020064263 202030727 /nfs/dbraw/zinc/03/07/27/202030727.db2.gz IRGKAQAPZJMEGP-QFIPXVFZSA-N 1 2 345.446 3.704 50 0 EHAALO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c(C)c1 ZINC000020357028 202039680 /nfs/dbraw/zinc/03/96/80/202039680.db2.gz CNCDWCMAOWRMAJ-UHFFFAOYSA-N 1 2 341.430 3.792 50 0 EHAALO COc1cc(CNCC[NH+](C)C)ccc1OCc1ccccc1Cl ZINC000022075113 202078469 /nfs/dbraw/zinc/07/84/69/202078469.db2.gz QBZKDPOEUNZEJJ-UHFFFAOYSA-N 1 2 348.874 3.579 50 0 EHAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)CC(C)(C)C)cc2)[nH+]1 ZINC000023993844 202110455 /nfs/dbraw/zinc/11/04/55/202110455.db2.gz NDMCPNXESYOUSK-UHFFFAOYSA-N 1 2 341.459 3.969 50 0 EHAALO CCOC(=O)C[C@@H]1C(=O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000025668578 202134547 /nfs/dbraw/zinc/13/45/47/202134547.db2.gz HRWUEUOAAKJSEV-DBXWQHBBSA-N 1 2 337.419 3.601 50 0 EHAALO COc1ccccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000028682958 202176002 /nfs/dbraw/zinc/17/60/02/202176002.db2.gz PFJKWULNZOOUIG-CYBMUJFWSA-N 1 2 345.468 3.636 50 0 EHAALO COc1ccccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000028682958 202176005 /nfs/dbraw/zinc/17/60/05/202176005.db2.gz PFJKWULNZOOUIG-CYBMUJFWSA-N 1 2 345.468 3.636 50 0 EHAALO CC[N@H+](CCCNC(=O)c1cn(C)c2ccccc12)c1ccccc1 ZINC000029955370 202192663 /nfs/dbraw/zinc/19/26/63/202192663.db2.gz LGCLCOPWESDOCB-UHFFFAOYSA-N 1 2 335.451 3.825 50 0 EHAALO CC[N@@H+](CCCNC(=O)c1cn(C)c2ccccc12)c1ccccc1 ZINC000029955370 202192667 /nfs/dbraw/zinc/19/26/67/202192667.db2.gz LGCLCOPWESDOCB-UHFFFAOYSA-N 1 2 335.451 3.825 50 0 EHAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1csc(-c2ccco2)n1 ZINC000029908282 202192875 /nfs/dbraw/zinc/19/28/75/202192875.db2.gz DRFCWVQNTYJHGU-UHFFFAOYSA-N 1 2 336.376 3.841 50 0 EHAALO CC[N@H+](Cc1ccc(Cl)s1)Cc1nc(-c2cccnc2)no1 ZINC000032879087 202240086 /nfs/dbraw/zinc/24/00/86/202240086.db2.gz ZGOZEDCOTVOFHP-UHFFFAOYSA-N 1 2 334.832 3.869 50 0 EHAALO CC[N@@H+](Cc1ccc(Cl)s1)Cc1nc(-c2cccnc2)no1 ZINC000032879087 202240089 /nfs/dbraw/zinc/24/00/89/202240089.db2.gz ZGOZEDCOTVOFHP-UHFFFAOYSA-N 1 2 334.832 3.869 50 0 EHAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccccc3)cc2)[nH+]1 ZINC000033078123 202249807 /nfs/dbraw/zinc/24/98/07/202249807.db2.gz JKERBWBZBHZQNG-UHFFFAOYSA-N 1 2 347.422 3.847 50 0 EHAALO O=C(c1cc(F)c(Cl)cc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069660365 202290384 /nfs/dbraw/zinc/29/03/84/202290384.db2.gz JZENVJLDLMUOHM-SNVBAGLBSA-N 1 2 342.201 3.806 50 0 EHAALO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000035268985 202292062 /nfs/dbraw/zinc/29/20/62/202292062.db2.gz SJHNVOVXDVJUNX-UONOGXRCSA-N 1 2 344.480 3.553 50 0 EHAALO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000035268985 202292067 /nfs/dbraw/zinc/29/20/67/202292067.db2.gz SJHNVOVXDVJUNX-UONOGXRCSA-N 1 2 344.480 3.553 50 0 EHAALO O=C(CCCc1ccccc1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000036390664 202325147 /nfs/dbraw/zinc/32/51/47/202325147.db2.gz IALQTZWSOKJDGU-UHFFFAOYSA-N 1 2 347.462 3.613 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1F ZINC000036692705 202329015 /nfs/dbraw/zinc/32/90/15/202329015.db2.gz CKMDXMQLASJTMT-AWEZNQCLSA-N 1 2 349.818 3.794 50 0 EHAALO O=C(CCCn1cc[nH+]c1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000078190468 202395288 /nfs/dbraw/zinc/39/52/88/202395288.db2.gz KSKLOVNJHZSZFY-AWEZNQCLSA-N 1 2 345.752 3.737 50 0 EHAALO O=C(CCCn1cc[nH+]c1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000078190470 202396357 /nfs/dbraw/zinc/39/63/57/202396357.db2.gz KSKLOVNJHZSZFY-CQSZACIVSA-N 1 2 345.752 3.737 50 0 EHAALO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000078656061 202398511 /nfs/dbraw/zinc/39/85/11/202398511.db2.gz NLPVEAYVZLXVGJ-BZUAXINKSA-N 1 2 329.831 3.920 50 0 EHAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1sc3ccccc3c1Cl)C2 ZINC000097198890 201381242 /nfs/dbraw/zinc/38/12/42/201381242.db2.gz WZMOTRSENXSUJA-LLVKDONJSA-N 1 2 345.855 3.804 50 0 EHAALO Clc1ccc(-c2cc(CN3CCn4cc[nH+]c4C3)on2)c(Cl)c1 ZINC000097201289 201382303 /nfs/dbraw/zinc/38/23/03/201382303.db2.gz XPNOTJXFFJYRBU-UHFFFAOYSA-N 1 2 349.221 3.861 50 0 EHAALO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000059374724 202776624 /nfs/dbraw/zinc/77/66/24/202776624.db2.gz ZYTHVGGAHFZAFR-ZDUSSCGKSA-N 1 2 325.412 3.603 50 0 EHAALO Cc1cccnc1C[NH+]1CCN(Cc2ccccc2-c2ccco2)CC1 ZINC000216087087 241164337 /nfs/dbraw/zinc/16/43/37/241164337.db2.gz IGXNADXSVHHIAB-UHFFFAOYSA-N 1 2 347.462 3.968 50 0 EHAALO Cc1nc2ccc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)cc2s1 ZINC000215369001 241124011 /nfs/dbraw/zinc/12/40/11/241124011.db2.gz JSPSIMMJFHTQFU-INIZCTEOSA-N 1 2 342.468 3.646 50 0 EHAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1cccc(Cl)c1 ZINC000000243110 201453094 /nfs/dbraw/zinc/45/30/94/201453094.db2.gz QHFSPAIIKVUVEU-AWEZNQCLSA-N 1 2 330.815 3.692 50 0 EHAALO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000225604639 241949346 /nfs/dbraw/zinc/94/93/46/241949346.db2.gz LTZSMDRPZOJXMP-RYUDHWBXSA-N 1 2 331.378 3.956 50 0 EHAALO c1[nH+]cn(Cc2ccccc2)c1CN1CCc2[nH]c3ccccc3c2C1 ZINC000244678567 243054956 /nfs/dbraw/zinc/05/49/56/243054956.db2.gz IFYCFYSERHHHKO-UHFFFAOYSA-N 1 2 342.446 3.971 50 0 EHAALO Cn1cc[nH+]c1-c1ccccc1C(=O)N(Cc1ccccn1)C(C)(C)C ZINC000067840530 202939297 /nfs/dbraw/zinc/93/92/97/202939297.db2.gz ILPSUSOPNCADQZ-UHFFFAOYSA-N 1 2 348.450 3.923 50 0 EHAALO Cc1csc(C2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)n1 ZINC000069571601 203020944 /nfs/dbraw/zinc/02/09/44/203020944.db2.gz OUGKWXTUYYZALD-UHFFFAOYSA-N 1 2 349.887 3.923 50 0 EHAALO O=C(Nc1ccccc1C(F)(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000069488148 203007164 /nfs/dbraw/zinc/00/71/64/203007164.db2.gz NEJQTCBPLHRZNA-UHFFFAOYSA-N 1 2 338.333 3.771 50 0 EHAALO COc1ccc(-c2nc(C[N@H+](C)Cc3ccccn3)c(C)o2)c(F)c1 ZINC000071745427 203105134 /nfs/dbraw/zinc/10/51/34/203105134.db2.gz LOMPVCQEMFHYNJ-UHFFFAOYSA-N 1 2 341.386 3.825 50 0 EHAALO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccccn3)c(C)o2)c(F)c1 ZINC000071745427 203105138 /nfs/dbraw/zinc/10/51/38/203105138.db2.gz LOMPVCQEMFHYNJ-UHFFFAOYSA-N 1 2 341.386 3.825 50 0 EHAALO CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000071842481 203127245 /nfs/dbraw/zinc/12/72/45/203127245.db2.gz WKGLJFPOMIRCLZ-UHFFFAOYSA-N 1 2 336.395 3.523 50 0 EHAALO CCc1ccc(NC(=O)N2CCCC[C@H]2CCn2cc[nH+]c2)cc1 ZINC000072165604 203179555 /nfs/dbraw/zinc/17/95/55/203179555.db2.gz CRPYBYXSQZUIQC-SFHVURJKSA-N 1 2 326.444 3.922 50 0 EHAALO CC(=O)C1(c2ccccc2)CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000072166253 203179649 /nfs/dbraw/zinc/17/96/49/203179649.db2.gz LVXFDOLNJJHDMO-UHFFFAOYSA-N 1 2 333.435 3.686 50 0 EHAALO CSc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000072304860 203198528 /nfs/dbraw/zinc/19/85/28/203198528.db2.gz XWPZTIYBBMKGNB-LJQANCHMSA-N 1 2 347.455 4.000 50 0 EHAALO CSc1ccc(OCC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000072304860 203198531 /nfs/dbraw/zinc/19/85/31/203198531.db2.gz XWPZTIYBBMKGNB-LJQANCHMSA-N 1 2 347.455 4.000 50 0 EHAALO CC(C)c1cc(N[C@H](Cn2cc[nH+]c2)c2ccccc2)n2nccc2n1 ZINC000072462660 203228728 /nfs/dbraw/zinc/22/87/28/203228728.db2.gz LLFNZTIHKPIOHM-GOSISDBHSA-N 1 2 346.438 3.903 50 0 EHAALO CCOc1ccccc1-c1nccn1CCSCc1[nH]c[nH+]c1C ZINC000072426408 203221876 /nfs/dbraw/zinc/22/18/76/203221876.db2.gz IGFGLQBPQMQJSM-UHFFFAOYSA-N 1 2 342.468 3.914 50 0 EHAALO CCCNc1ncc(C[NH+]2CCC(Oc3ccccc3C)CC2)cn1 ZINC000072431619 203223658 /nfs/dbraw/zinc/22/36/58/203223658.db2.gz RSZYOYVYCYCWGC-UHFFFAOYSA-N 1 2 340.471 3.650 50 0 EHAALO C[C@@H]1C[NH+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@@H](C)O1 ZINC000075105635 203301616 /nfs/dbraw/zinc/30/16/16/203301616.db2.gz MEPTVDCFVQDTLD-MDZRGWNJSA-N 1 2 349.434 3.935 50 0 EHAALO Clc1ccccc1-c1cc(Cn2cc[nH+]c2[C@@H]2CCOC2)no1 ZINC000077378834 203384743 /nfs/dbraw/zinc/38/47/43/203384743.db2.gz OXKOETBGJPRLFP-GFCCVEGCSA-N 1 2 329.787 3.744 50 0 EHAALO c1coc(-c2nc(CCCn3cc[nH+]c3)n(C3CCCCC3)n2)c1 ZINC000096151536 203844498 /nfs/dbraw/zinc/84/44/98/203844498.db2.gz KATVKVUTSFGNJS-UHFFFAOYSA-N 1 2 325.416 3.873 50 0 EHAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(F)c(Cl)c1)C2 ZINC000125693346 205021065 /nfs/dbraw/zinc/02/10/65/205021065.db2.gz YUSNJIDFOKUKSB-UHFFFAOYSA-N 1 2 335.810 3.535 50 0 EHAALO CC(C)[C@@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000010107248 211148779 /nfs/dbraw/zinc/14/87/79/211148779.db2.gz ULUWARRYNKFFCE-LJQANCHMSA-N 1 2 328.481 3.620 50 0 EHAALO CC(C)[C@@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000010107248 211148783 /nfs/dbraw/zinc/14/87/83/211148783.db2.gz ULUWARRYNKFFCE-LJQANCHMSA-N 1 2 328.481 3.620 50 0 EHAALO CSc1ccc2c(C)cc(N3CCC(CCC(N)=O)CC3)[nH+]c2c1 ZINC000055109418 132193856 /nfs/dbraw/zinc/19/38/56/132193856.db2.gz RLOFVSLJAGHYFY-UHFFFAOYSA-N 1 2 343.496 3.747 50 0 EHAALO Cc1cc2nc([C@H](O)Cc3[nH]c4cc(C)c(C)cc4[nH+]3)[nH]c2cc1C ZINC000004533411 563504659 /nfs/dbraw/zinc/50/46/59/563504659.db2.gz ONFFSKXHZIEBNY-GOSISDBHSA-N 1 2 334.423 3.949 50 0 EHAALO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccon3)C2)c1 ZINC000012385634 563659638 /nfs/dbraw/zinc/65/96/38/563659638.db2.gz KMQLDRXJQLQMCQ-MRXNPFEDSA-N 1 2 328.412 3.557 50 0 EHAALO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccon3)C2)c1 ZINC000012385634 563659640 /nfs/dbraw/zinc/65/96/40/563659640.db2.gz KMQLDRXJQLQMCQ-MRXNPFEDSA-N 1 2 328.412 3.557 50 0 EHAALO C[N@H+](Cc1cccc(Cl)c1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012817749 563674850 /nfs/dbraw/zinc/67/48/50/563674850.db2.gz WSVMHGCJTRLBQW-SFHVURJKSA-N 1 2 346.833 3.931 50 0 EHAALO C[N@@H+](Cc1cccc(Cl)c1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012817749 563674852 /nfs/dbraw/zinc/67/48/52/563674852.db2.gz WSVMHGCJTRLBQW-SFHVURJKSA-N 1 2 346.833 3.931 50 0 EHAALO COc1ccc(C)cc1C[N@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000015312388 563782356 /nfs/dbraw/zinc/78/23/56/563782356.db2.gz AJYWSKDIVQEDNN-UHFFFAOYSA-N 1 2 329.425 3.747 50 0 EHAALO COc1ccc(C)cc1C[N@@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000015312388 563782359 /nfs/dbraw/zinc/78/23/59/563782359.db2.gz AJYWSKDIVQEDNN-UHFFFAOYSA-N 1 2 329.425 3.747 50 0 EHAALO O=C(c1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000016602521 563815871 /nfs/dbraw/zinc/81/58/71/563815871.db2.gz DLNDCBXFXCOMQA-UHFFFAOYSA-N 1 2 339.222 3.544 50 0 EHAALO CCc1ccc(NC(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000017071408 563834647 /nfs/dbraw/zinc/83/46/47/563834647.db2.gz GFTLHXWZZJLGNI-UHFFFAOYSA-N 1 2 341.430 3.738 50 0 EHAALO O=C(N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1cc2ccccc2o1 ZINC000010643990 563853280 /nfs/dbraw/zinc/85/32/80/563853280.db2.gz PCKCMCDOCNGZPZ-MRXNPFEDSA-N 1 2 331.375 3.870 50 0 EHAALO O=C(NCc1ccc(N2CCc3ccccc3C2)[nH+]c1)[C@H]1CC=CCC1 ZINC000046315326 563929271 /nfs/dbraw/zinc/92/92/71/563929271.db2.gz AWLOJQYYLFPMOK-IBGZPJMESA-N 1 2 347.462 3.617 50 0 EHAALO Cc1nc2ccccc2nc1C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000052685876 563932441 /nfs/dbraw/zinc/93/24/41/563932441.db2.gz XKHCXQZKZNPKKD-UHFFFAOYSA-N 1 2 343.434 3.756 50 0 EHAALO Cc1nc2ccccc2nc1C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000052685876 563932442 /nfs/dbraw/zinc/93/24/42/563932442.db2.gz XKHCXQZKZNPKKD-UHFFFAOYSA-N 1 2 343.434 3.756 50 0 EHAALO Cc1ccccc1CN1CC[N@H+](Cc2ccc(F)cc2F)CCC1=O ZINC000055108553 563933796 /nfs/dbraw/zinc/93/37/96/563933796.db2.gz SCDYSNMTQKDKDJ-UHFFFAOYSA-N 1 2 344.405 3.508 50 0 EHAALO Cc1ccccc1CN1CC[N@@H+](Cc2ccc(F)cc2F)CCC1=O ZINC000055108553 563933797 /nfs/dbraw/zinc/93/37/97/563933797.db2.gz SCDYSNMTQKDKDJ-UHFFFAOYSA-N 1 2 344.405 3.508 50 0 EHAALO Cc1cccc([C@@H]2CCCN2C(=O)c2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000058401685 563944850 /nfs/dbraw/zinc/94/48/50/563944850.db2.gz ODGLGSXWGYLFOG-SFHVURJKSA-N 1 2 332.407 3.553 50 0 EHAALO Cc1ccc2nc(C)c(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)C)cc2c1 ZINC000063882227 563956348 /nfs/dbraw/zinc/95/63/48/563956348.db2.gz AQWJIUXEYGIAIV-LJQANCHMSA-N 1 2 336.439 3.503 50 0 EHAALO CCn1c[nH+]cc1CNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000065419513 563960595 /nfs/dbraw/zinc/96/05/95/563960595.db2.gz PFMUHVWGMVPQTL-UHFFFAOYSA-N 1 2 329.787 3.746 50 0 EHAALO Cc1nc(N2CCc3onc(-c4ccc(Cl)cc4)c3C2)cc[nH+]1 ZINC000067675301 563962466 /nfs/dbraw/zinc/96/24/66/563962466.db2.gz TVWMUHHYDHBNJC-UHFFFAOYSA-N 1 2 326.787 3.656 50 0 EHAALO c1cn(CCCn2cc[nH+]c2)c(-c2cnc(C3CCCCC3)nc2)n1 ZINC000067786834 563962705 /nfs/dbraw/zinc/96/27/05/563962705.db2.gz QOOOKNHSTQBQBK-UHFFFAOYSA-N 1 2 336.443 3.675 50 0 EHAALO CCN(CC)c1[nH+]cccc1CNC(=O)c1cccc(C)c1Cl ZINC000067804389 563962765 /nfs/dbraw/zinc/96/27/65/563962765.db2.gz QLWJEAUKDHKQKE-UHFFFAOYSA-N 1 2 331.847 3.820 50 0 EHAALO O=C(Cc1csc(-c2ccccc2)n1)Nc1c[nH+]c2n1CCCC2 ZINC000067856040 563962936 /nfs/dbraw/zinc/96/29/36/563962936.db2.gz KOGAWYVTVWGBGD-UHFFFAOYSA-N 1 2 338.436 3.524 50 0 EHAALO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc2cccc(O)c2n1 ZINC000067935302 563963064 /nfs/dbraw/zinc/96/30/64/563963064.db2.gz OCARAROJIGDFFU-UHFFFAOYSA-N 1 2 346.390 3.622 50 0 EHAALO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc2cccc(O)c2n1 ZINC000067935302 563963065 /nfs/dbraw/zinc/96/30/65/563963065.db2.gz OCARAROJIGDFFU-UHFFFAOYSA-N 1 2 346.390 3.622 50 0 EHAALO Cc1noc(C)c1C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000097287060 563970954 /nfs/dbraw/zinc/97/09/54/563970954.db2.gz CJLKUFXMNCSKEJ-UHFFFAOYSA-N 1 2 342.226 3.669 50 0 EHAALO CCCNc1ccc(Cl)cc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000097233839 563970773 /nfs/dbraw/zinc/97/07/73/563970773.db2.gz COGGZXFNYODBSC-GFCCVEGCSA-N 1 2 332.835 3.560 50 0 EHAALO Cc1noc(C)c1C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000097287060 563970953 /nfs/dbraw/zinc/97/09/53/563970953.db2.gz CJLKUFXMNCSKEJ-UHFFFAOYSA-N 1 2 342.226 3.669 50 0 EHAALO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)c(F)c1 ZINC000095367293 563976838 /nfs/dbraw/zinc/97/68/38/563976838.db2.gz IHYKDOULAGOTOF-HNNXBMFYSA-N 1 2 329.419 3.931 50 0 EHAALO Cc1nc([C@H](C)N(C)C(=O)Cn2c(C)[nH+]c3ccccc32)c(C)s1 ZINC000095373659 563976859 /nfs/dbraw/zinc/97/68/59/563976859.db2.gz RGBQPUJYMQTQLT-NSHDSACASA-N 1 2 342.468 3.638 50 0 EHAALO O=C(CCSCc1ccc(F)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000095519315 563977379 /nfs/dbraw/zinc/97/73/79/563977379.db2.gz ALMJQIDBINXLCO-OAHLLOKOSA-N 1 2 347.459 3.578 50 0 EHAALO Cc1nc2c(s1)CCC[C@@H]2NC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000096152246 563979701 /nfs/dbraw/zinc/97/97/01/563979701.db2.gz UAFQHLCUCXWIRI-ZDUSSCGKSA-N 1 2 341.440 3.835 50 0 EHAALO Cc1ccnc([C@@H](NC(=O)c2ccccc2-c2[nH]cc[nH+]2)C2CC2)c1 ZINC000097505532 563981636 /nfs/dbraw/zinc/98/16/36/563981636.db2.gz FTZZTVWKLIFGHX-SFHVURJKSA-N 1 2 332.407 3.661 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@H]1CCCC(F)(F)C1 ZINC000328586271 563983955 /nfs/dbraw/zinc/98/39/55/563983955.db2.gz NDZVITNYCDSMCI-KBPBESRZSA-N 1 2 325.403 3.782 50 0 EHAALO C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)c1nnc2n1CCC2 ZINC000062640078 564007023 /nfs/dbraw/zinc/00/70/23/564007023.db2.gz ITQPSALRIUMVFZ-LBPRGKRZSA-N 1 2 342.830 3.989 50 0 EHAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2nc3cc(Cl)ccc3n2C)on1 ZINC000044977657 564028025 /nfs/dbraw/zinc/02/80/25/564028025.db2.gz AESHBFIJGKGREY-HNNXBMFYSA-N 1 2 330.819 3.860 50 0 EHAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nc3cc(Cl)ccc3n2C)on1 ZINC000044977657 564028026 /nfs/dbraw/zinc/02/80/26/564028026.db2.gz AESHBFIJGKGREY-HNNXBMFYSA-N 1 2 330.819 3.860 50 0 EHAALO CCCc1noc([C@H](C)[NH+]2CCC([C@H](O)c3ccccc3)CC2)n1 ZINC000045914037 564028861 /nfs/dbraw/zinc/02/88/61/564028861.db2.gz DCTXTLBSHSXOOT-KBXCAEBGSA-N 1 2 329.444 3.529 50 0 EHAALO CN(Cc1ccc2ccccc2c1)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000048314012 564031049 /nfs/dbraw/zinc/03/10/49/564031049.db2.gz JSVCMLDYYNTOOF-UHFFFAOYSA-N 1 2 342.402 3.693 50 0 EHAALO C[C@@H](Sc1ccccc1Cl)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000048350502 564031351 /nfs/dbraw/zinc/03/13/51/564031351.db2.gz XKGYYJBIIGUMNL-GFCCVEGCSA-N 1 2 345.855 3.785 50 0 EHAALO Cc1nc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cs1 ZINC000182847660 564056404 /nfs/dbraw/zinc/05/64/04/564056404.db2.gz QMWVFNCLACMEHT-LBPRGKRZSA-N 1 2 330.379 3.504 50 0 EHAALO Cc1nc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cs1 ZINC000182847660 564056405 /nfs/dbraw/zinc/05/64/05/564056405.db2.gz QMWVFNCLACMEHT-LBPRGKRZSA-N 1 2 330.379 3.504 50 0 EHAALO CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012550890 564059090 /nfs/dbraw/zinc/05/90/90/564059090.db2.gz SXPUSZWTVWHMSU-INIZCTEOSA-N 1 2 349.434 3.691 50 0 EHAALO Cc1ccc(C[N@H+](CCc2ccccc2)Cc2nnc(C)o2)s1 ZINC000053135590 564066927 /nfs/dbraw/zinc/06/69/27/564066927.db2.gz RTTILWKNOTWDDC-UHFFFAOYSA-N 1 2 327.453 3.993 50 0 EHAALO Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2nnc(C)o2)s1 ZINC000053135590 564066928 /nfs/dbraw/zinc/06/69/28/564066928.db2.gz RTTILWKNOTWDDC-UHFFFAOYSA-N 1 2 327.453 3.993 50 0 EHAALO O=C(OCc1cccc2[nH+]ccn21)[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000084425296 564068054 /nfs/dbraw/zinc/06/80/54/564068054.db2.gz XPXATBBXMNIAPP-CVEARBPZSA-N 1 2 326.783 3.835 50 0 EHAALO CC[NH+]1CCN(C(=O)c2cc3cc4cc(C)ccc4nc3s2)CC1 ZINC000063671453 564074072 /nfs/dbraw/zinc/07/40/72/564074072.db2.gz HUZNSSWWPGIDIN-UHFFFAOYSA-N 1 2 339.464 3.536 50 0 EHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc(F)cc(F)c1 ZINC000012925448 564078475 /nfs/dbraw/zinc/07/84/75/564078475.db2.gz KQZAYVGABRQWIF-UHFFFAOYSA-N 1 2 337.395 3.660 50 0 EHAALO CCCc1[nH]c2ccc(CCC(=O)NCc3ccc(F)cc3)cc2[nH+]1 ZINC000075478717 564086569 /nfs/dbraw/zinc/08/65/69/564086569.db2.gz ZAENIDJMNVIZPF-UHFFFAOYSA-N 1 2 339.414 3.904 50 0 EHAALO CCCc1[nH]c2cc(CCC(=O)NCc3ccc(F)cc3)ccc2[nH+]1 ZINC000075478717 564086570 /nfs/dbraw/zinc/08/65/70/564086570.db2.gz ZAENIDJMNVIZPF-UHFFFAOYSA-N 1 2 339.414 3.904 50 0 EHAALO CSc1cccc(CN(C)c2cc([C@H]3CCOC3)[nH+]c(C)n2)c1 ZINC000426444631 564093781 /nfs/dbraw/zinc/09/37/81/564093781.db2.gz PLLJQDFOKCLDKI-HNNXBMFYSA-N 1 2 329.469 3.647 50 0 EHAALO Cc1ccccc1Cn1cc[nH+]c1CN(CC(C)C)C(=O)C1CC1 ZINC000006689265 564095888 /nfs/dbraw/zinc/09/58/88/564095888.db2.gz RJMXCFWMAAAYEH-UHFFFAOYSA-N 1 2 325.456 3.634 50 0 EHAALO O=C(c1ccc(-c2ccc(N3CCCCC3)[nH+]c2)cc1)N1CCCC1 ZINC000065178217 564102548 /nfs/dbraw/zinc/10/25/48/564102548.db2.gz MFBBBNXFUMEPCQ-UHFFFAOYSA-N 1 2 335.451 3.975 50 0 EHAALO O=C(N[C@@H](Cc1[nH+]ccn1C(F)F)c1ccccc1)c1ccccc1 ZINC000065523560 564106885 /nfs/dbraw/zinc/10/68/85/564106885.db2.gz WVUGPYSKTWQLAS-INIZCTEOSA-N 1 2 341.361 3.992 50 0 EHAALO Cc1cccn2cc(CSc3nnc(NCC(C)C)s3)[nH+]c12 ZINC000170593692 564108981 /nfs/dbraw/zinc/10/89/81/564108981.db2.gz BOIBCEKZSJLMQJ-UHFFFAOYSA-N 1 2 333.486 3.854 50 0 EHAALO O=C(Nc1cccc(OCCn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000042706520 564111082 /nfs/dbraw/zinc/11/10/82/564111082.db2.gz RXALDGXDHPBNII-UHFFFAOYSA-N 1 2 341.798 3.868 50 0 EHAALO Cc1cc(C)cc(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000013325011 564111491 /nfs/dbraw/zinc/11/14/91/564111491.db2.gz CGDDOVXUFXXJFY-UHFFFAOYSA-N 1 2 339.439 3.780 50 0 EHAALO O=C(c1ccc2ccccc2c1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000014603455 564112527 /nfs/dbraw/zinc/11/25/27/564112527.db2.gz QSRBWRJJUDLROY-UHFFFAOYSA-N 1 2 348.421 3.937 50 0 EHAALO O=C(N[C@@H](c1ccc(F)cc1)C1CC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000089782800 564113721 /nfs/dbraw/zinc/11/37/21/564113721.db2.gz NOHFGQPXCOKJIF-DLBZAZTESA-N 1 2 342.418 3.937 50 0 EHAALO c1sc(Nc2ccccc2)nc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000089845722 564114252 /nfs/dbraw/zinc/11/42/52/564114252.db2.gz ARCCHWHPUYVERD-HOTGVXAUSA-N 1 2 347.509 3.593 50 0 EHAALO c1sc(Nc2ccccc2)nc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000089845722 564114253 /nfs/dbraw/zinc/11/42/53/564114253.db2.gz ARCCHWHPUYVERD-HOTGVXAUSA-N 1 2 347.509 3.593 50 0 EHAALO O=C(NCCCCc1ccc(Cl)s1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000367644057 564117859 /nfs/dbraw/zinc/11/78/59/564117859.db2.gz QVCACMVRJDBRGA-GFCCVEGCSA-N 1 2 337.876 3.684 50 0 EHAALO O=C(NCCCCc1ccc(Cl)s1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000367644057 564117860 /nfs/dbraw/zinc/11/78/60/564117860.db2.gz QVCACMVRJDBRGA-GFCCVEGCSA-N 1 2 337.876 3.684 50 0 EHAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000007922040 564125510 /nfs/dbraw/zinc/12/55/10/564125510.db2.gz UDDHKVZAMBIWLJ-CYBMUJFWSA-N 1 2 325.437 3.928 50 0 EHAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000007922040 564125511 /nfs/dbraw/zinc/12/55/11/564125511.db2.gz UDDHKVZAMBIWLJ-CYBMUJFWSA-N 1 2 325.437 3.928 50 0 EHAALO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000054993876 564132222 /nfs/dbraw/zinc/13/22/22/564132222.db2.gz BBGIUUYEXDEHIH-OAHLLOKOSA-N 1 2 346.521 3.704 50 0 EHAALO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC000054993876 564132223 /nfs/dbraw/zinc/13/22/23/564132223.db2.gz BBGIUUYEXDEHIH-OAHLLOKOSA-N 1 2 346.521 3.704 50 0 EHAALO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)Nc2ccccn2)CC1 ZINC000092976775 564136823 /nfs/dbraw/zinc/13/68/23/564136823.db2.gz IKHBCHMVTFUYNI-UHFFFAOYSA-N 1 2 349.438 3.863 50 0 EHAALO Cc1nc(C)c(COC(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000095351254 564139293 /nfs/dbraw/zinc/13/92/93/564139293.db2.gz IIDQMEOAXAUQEP-QGZVFWFLSA-N 1 2 330.453 3.640 50 0 EHAALO COc1cccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c1OC ZINC000095377579 564139362 /nfs/dbraw/zinc/13/93/62/564139362.db2.gz UHLFDFBBRPVDQI-HXUWFJFHSA-N 1 2 334.419 3.978 50 0 EHAALO CCc1noc([C@H](C)[NH+]2CCC(Oc3ccccc3Cl)CC2)n1 ZINC000095436536 564140432 /nfs/dbraw/zinc/14/04/32/564140432.db2.gz XEKIXGPWLYLCMX-LBPRGKRZSA-N 1 2 335.835 3.890 50 0 EHAALO CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095958865 564142647 /nfs/dbraw/zinc/14/26/47/564142647.db2.gz JYJUGUBFKLHLCZ-ZDUSSCGKSA-N 1 2 347.846 3.627 50 0 EHAALO c1[nH+]c2ccccn2c1CSc1nnc(CCc2ccccc2)o1 ZINC000095990878 564144142 /nfs/dbraw/zinc/14/41/42/564144142.db2.gz RHOBDFOIQLZKPG-UHFFFAOYSA-N 1 2 336.420 3.795 50 0 EHAALO COC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccc(C)o1 ZINC000096478912 564148537 /nfs/dbraw/zinc/14/85/37/564148537.db2.gz JGOHZPFNULTCQW-CXAGYDPISA-N 1 2 346.427 3.593 50 0 EHAALO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1nnc(-c2cccs2)o1 ZINC000096491023 564148781 /nfs/dbraw/zinc/14/87/81/564148781.db2.gz RVONEXDQUMMNEQ-JTQLQIEISA-N 1 2 333.388 3.797 50 0 EHAALO Fc1cc(F)cc(CN2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)c1 ZINC000097059034 564149341 /nfs/dbraw/zinc/14/93/41/564149341.db2.gz SFJKEJUKGLPVRJ-SFHVURJKSA-N 1 2 325.362 3.965 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2sccc2C)c1C ZINC000057380593 564153829 /nfs/dbraw/zinc/15/38/29/564153829.db2.gz AICHUVFQXDMSJQ-ZDUSSCGKSA-N 1 2 332.469 3.907 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2sccc2C)c1C ZINC000057380593 564153830 /nfs/dbraw/zinc/15/38/30/564153830.db2.gz AICHUVFQXDMSJQ-ZDUSSCGKSA-N 1 2 332.469 3.907 50 0 EHAALO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc(Cl)cc1F ZINC000057754796 564155679 /nfs/dbraw/zinc/15/56/79/564155679.db2.gz OUHKVIAQROVQQA-UHFFFAOYSA-N 1 2 349.715 3.510 50 0 EHAALO Cc1cc(NC[C@@H](O)c2ccc(Cl)cc2)nc(-c2ccncc2)[nH+]1 ZINC000057826230 564155989 /nfs/dbraw/zinc/15/59/89/564155989.db2.gz SXOARWHIKGVFAS-MRXNPFEDSA-N 1 2 340.814 3.646 50 0 EHAALO COc1ccc([C@@H]2CCCN2Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000057871511 564156314 /nfs/dbraw/zinc/15/63/14/564156314.db2.gz VRMRKSWJMSBMBV-HNNXBMFYSA-N 1 2 339.361 3.791 50 0 EHAALO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000003325710 564157322 /nfs/dbraw/zinc/15/73/22/564157322.db2.gz UPHXNTPVPIXOEB-IBGZPJMESA-N 1 2 335.382 3.690 50 0 EHAALO CC[C@H](NC(=O)CC1=CSC2=[NH+]CCCN12)c1ccc(C)cc1 ZINC000670455126 564159831 /nfs/dbraw/zinc/15/98/31/564159831.db2.gz MVGJSEPQUUMJRB-INIZCTEOSA-N 1 2 329.469 3.602 50 0 EHAALO C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007986185 564161818 /nfs/dbraw/zinc/16/18/18/564161818.db2.gz MDTBNFMMMOEYOO-CYBMUJFWSA-N 1 2 337.448 3.914 50 0 EHAALO CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008346275 564164696 /nfs/dbraw/zinc/16/46/96/564164696.db2.gz UOZBAMRLXPCNDN-JXFKEZNVSA-N 1 2 349.434 3.907 50 0 EHAALO Cc1ccc2[nH+]c(COC(=O)c3ccc(-n4cccc4)cc3)cn2c1 ZINC000008484078 564165434 /nfs/dbraw/zinc/16/54/34/564165434.db2.gz QJLMZEPLXPHMDE-UHFFFAOYSA-N 1 2 331.375 3.790 50 0 EHAALO Cc1cc(F)ccc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000069414013 564169180 /nfs/dbraw/zinc/16/91/80/564169180.db2.gz VXSUDLRTPJUABC-SFHVURJKSA-N 1 2 327.403 3.522 50 0 EHAALO Cc1cc(F)ccc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000069414013 564169181 /nfs/dbraw/zinc/16/91/81/564169181.db2.gz VXSUDLRTPJUABC-SFHVURJKSA-N 1 2 327.403 3.522 50 0 EHAALO Cc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000009513535 564173957 /nfs/dbraw/zinc/17/39/57/564173957.db2.gz PMTKETRYXZSFST-UHFFFAOYSA-N 1 2 333.370 3.875 50 0 EHAALO CC[N@H+](CCCNC(=O)Cc1cccc2cccnc21)c1ccccc1 ZINC000041837133 564174393 /nfs/dbraw/zinc/17/43/93/564174393.db2.gz VLTOBZQYTJTIQH-UHFFFAOYSA-N 1 2 347.462 3.810 50 0 EHAALO CC[N@@H+](CCCNC(=O)Cc1cccc2cccnc21)c1ccccc1 ZINC000041837133 564174394 /nfs/dbraw/zinc/17/43/94/564174394.db2.gz VLTOBZQYTJTIQH-UHFFFAOYSA-N 1 2 347.462 3.810 50 0 EHAALO Cc1cccc2nc(C3CC[NH+](Cc4cn(C(C)C)nn4)CC3)oc21 ZINC000368045777 1127516781 /nfs/dbraw/zinc/51/67/81/1127516781.db2.gz WQBNMFHXDAVKEK-UHFFFAOYSA-N 1 2 339.443 3.688 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1CCNC(=O)CCCc1ccccc1 ZINC000581813069 1132366262 /nfs/dbraw/zinc/36/62/62/1132366262.db2.gz SCMIHCHMXNHCCL-UHFFFAOYSA-N 1 2 347.462 3.998 50 0 EHAALO CCS[C@@H]1CCCCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000585131623 1137020809 /nfs/dbraw/zinc/02/08/09/1137020809.db2.gz BANBTLRGXZGWED-CHWSQXEVSA-N 1 2 349.422 3.511 50 0 EHAALO C[C@H](c1ccccc1)[N@H+](C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000952884205 1137483466 /nfs/dbraw/zinc/48/34/66/1137483466.db2.gz VZYSVIHMLXNSAJ-OCCSQVGLSA-N 1 2 338.377 3.596 50 0 EHAALO C[C@H](c1ccccc1)[N@@H+](C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000952884205 1137483468 /nfs/dbraw/zinc/48/34/68/1137483468.db2.gz VZYSVIHMLXNSAJ-OCCSQVGLSA-N 1 2 338.377 3.596 50 0 EHAALO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)N1CCc2ccccc21 ZINC000052074812 214116680 /nfs/dbraw/zinc/11/66/80/214116680.db2.gz PJPGCCGFQMSSHV-ZDUSSCGKSA-N 1 2 330.378 3.547 50 0 EHAALO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)N1CCc2ccccc21 ZINC000052074812 214116681 /nfs/dbraw/zinc/11/66/81/214116681.db2.gz PJPGCCGFQMSSHV-ZDUSSCGKSA-N 1 2 330.378 3.547 50 0 EHAALO C[C@H](NC(=O)c1ccc(F)cc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000003367752 210019686 /nfs/dbraw/zinc/01/96/86/210019686.db2.gz WZYMLCVYIMWCAH-LBPRGKRZSA-N 1 2 327.334 3.642 50 0 EHAALO C([C@@H]1COC2(CCCCCCCCCCC2)O1)[NH+]1CCOCC1 ZINC000019868003 202024229 /nfs/dbraw/zinc/02/42/29/202024229.db2.gz AXTKPHAKXVXLKW-GOSISDBHSA-N 1 2 325.493 3.735 50 0 EHAALO Cc1ccc(-n2cc(C[NH+]3CCOCC3)c(-c3cccc(C)c3)n2)cc1 ZINC000020599386 202050598 /nfs/dbraw/zinc/05/05/98/202050598.db2.gz PBHSTJBJLJKGKM-UHFFFAOYSA-N 1 2 347.462 3.988 50 0 EHAALO CCCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(OC)c2)no1 ZINC000021720626 202069258 /nfs/dbraw/zinc/06/92/58/202069258.db2.gz FEKMLBXFMCKERY-QGZVFWFLSA-N 1 2 330.428 3.981 50 0 EHAALO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000021134035 202062315 /nfs/dbraw/zinc/06/23/15/202062315.db2.gz WQXBSQBYTDBBBT-UHFFFAOYSA-N 1 2 335.451 3.853 50 0 EHAALO C[N@H+](Cc1ccc(C(C)(C)C)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000021134035 202062318 /nfs/dbraw/zinc/06/23/18/202062318.db2.gz WQXBSQBYTDBBBT-UHFFFAOYSA-N 1 2 335.451 3.853 50 0 EHAALO CCCc1cc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(OC)c2)no1 ZINC000021720626 202069261 /nfs/dbraw/zinc/06/92/61/202069261.db2.gz FEKMLBXFMCKERY-QGZVFWFLSA-N 1 2 330.428 3.981 50 0 EHAALO C[N@H+](Cc1ccccc1F)Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000023718829 202108610 /nfs/dbraw/zinc/10/86/10/202108610.db2.gz APEBDJMZLASLIL-UHFFFAOYSA-N 1 2 347.773 3.923 50 0 EHAALO C[N@@H+](Cc1ccccc1F)Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000023718829 202108614 /nfs/dbraw/zinc/10/86/14/202108614.db2.gz APEBDJMZLASLIL-UHFFFAOYSA-N 1 2 347.773 3.923 50 0 EHAALO O=C(c1ccc(SCc2cn3ccccc3[nH+]2)cc1)N1CCCC1 ZINC000024262430 202114597 /nfs/dbraw/zinc/11/45/97/202114597.db2.gz GDFMOLIWLAIMSM-UHFFFAOYSA-N 1 2 337.448 3.863 50 0 EHAALO C[N@H+](CCCOc1ccccc1)Cn1nc(C(C)(C)C)[nH]c1=S ZINC000029540393 202187954 /nfs/dbraw/zinc/18/79/54/202187954.db2.gz LICAWZOINUWBMM-UHFFFAOYSA-N 1 2 334.489 3.597 50 0 EHAALO C[N@@H+](CCCOc1ccccc1)Cn1nc(C(C)(C)C)[nH]c1=S ZINC000029540393 202187958 /nfs/dbraw/zinc/18/79/58/202187958.db2.gz LICAWZOINUWBMM-UHFFFAOYSA-N 1 2 334.489 3.597 50 0 EHAALO C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000032936638 202243857 /nfs/dbraw/zinc/24/38/57/202243857.db2.gz BELBJBQMAABHDK-CYBMUJFWSA-N 1 2 341.798 3.932 50 0 EHAALO CCN(CC)c1cc(CNC(=O)Nc2cc(C)ccc2C)cc[nH+]1 ZINC000033280244 202255578 /nfs/dbraw/zinc/25/55/78/202255578.db2.gz ZYOZEGMNWGPVNH-UHFFFAOYSA-N 1 2 326.444 3.866 50 0 EHAALO Cc1ccc(-c2cc(NC(=O)C[N@@H+]3CCc4ccccc4C3)on2)cc1 ZINC000034886406 202278624 /nfs/dbraw/zinc/27/86/24/202278624.db2.gz XKRIFOBIZBXCGA-UHFFFAOYSA-N 1 2 347.418 3.647 50 0 EHAALO Cc1ccc(-c2cc(NC(=O)C[N@H+]3CCc4ccccc4C3)on2)cc1 ZINC000034886406 202278626 /nfs/dbraw/zinc/27/86/26/202278626.db2.gz XKRIFOBIZBXCGA-UHFFFAOYSA-N 1 2 347.418 3.647 50 0 EHAALO Cc1ccccc1-c1csc2[nH]c(C[NH+]3CCCCC3)nc(=O)c12 ZINC000036203826 202319546 /nfs/dbraw/zinc/31/95/46/202319546.db2.gz RCBDPRWYBHSQIR-UHFFFAOYSA-N 1 2 339.464 3.946 50 0 EHAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(C(C)C)no2)cc1OC ZINC000036396176 202325442 /nfs/dbraw/zinc/32/54/42/202325442.db2.gz QRSFOEPWWUITEQ-CQSZACIVSA-N 1 2 331.416 3.547 50 0 EHAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(C(C)C)no2)cc1OC ZINC000036396176 202325446 /nfs/dbraw/zinc/32/54/46/202325446.db2.gz QRSFOEPWWUITEQ-CQSZACIVSA-N 1 2 331.416 3.547 50 0 EHAALO c1sc([C@@H]2C[N@H+](Cc3cccnc3)CCO2)nc1-c1ccccc1 ZINC000065458777 201153827 /nfs/dbraw/zinc/15/38/27/201153827.db2.gz XQSHLJACJNIVMK-SFHVURJKSA-N 1 2 337.448 3.779 50 0 EHAALO c1sc([C@@H]2C[N@@H+](Cc3cccnc3)CCO2)nc1-c1ccccc1 ZINC000065458777 201153830 /nfs/dbraw/zinc/15/38/30/201153830.db2.gz XQSHLJACJNIVMK-SFHVURJKSA-N 1 2 337.448 3.779 50 0 EHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)n(C(C)C)c2C)c1C ZINC000058958471 202776173 /nfs/dbraw/zinc/77/61/73/202776173.db2.gz SWLAUEOVBSDMSF-UHFFFAOYSA-N 1 2 343.471 3.978 50 0 EHAALO O=C(NCCCn1cc[nH+]c1)/C(=C/c1ccccc1)c1ccccc1 ZINC000002826977 201548349 /nfs/dbraw/zinc/54/83/49/201548349.db2.gz QOWIRLSILZMXJE-CAPFRKAQSA-N 1 2 331.419 3.630 50 0 EHAALO CC(=O)c1c(C)cc(C)c(-c2[nH+]ccn2Cc2csc(N)n2)c1C ZINC000071589478 203100374 /nfs/dbraw/zinc/10/03/74/203100374.db2.gz HOHXNBHAADHQMH-UHFFFAOYSA-N 1 2 340.452 3.765 50 0 EHAALO CCOc1cc(-c2[nH+]ccn2[C@H](C)c2nc(CC)no2)ccc1OC ZINC000071755330 203108149 /nfs/dbraw/zinc/10/81/49/203108149.db2.gz HXRNUWFXUVTVDN-GFCCVEGCSA-N 1 2 342.399 3.512 50 0 EHAALO Cc1cc(NC[C@H](O)COc2ccc(F)cc2)[nH+]c2ccccc12 ZINC000072027512 203158351 /nfs/dbraw/zinc/15/83/51/203158351.db2.gz LGTAUWCOHFEYGO-HNNXBMFYSA-N 1 2 326.371 3.534 50 0 EHAALO NC(=O)Nc1ccc(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)cc1 ZINC000072280916 203190918 /nfs/dbraw/zinc/19/09/18/203190918.db2.gz VNGJQQRADUYFQQ-UHFFFAOYSA-N 1 2 348.362 3.617 50 0 EHAALO COc1ccccc1Cc1nnc(SCc2[nH+]ccn2C(C)C)o1 ZINC000072296323 203196380 /nfs/dbraw/zinc/19/63/80/203196380.db2.gz AHHWKBGZVXXGNH-UHFFFAOYSA-N 1 2 344.440 3.739 50 0 EHAALO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc([C@@H](C)OCC)no2)C1(C)C ZINC000072311067 203200365 /nfs/dbraw/zinc/20/03/65/203200365.db2.gz FIGJLMWLZLGTCW-RBSFLKMASA-N 1 2 339.480 3.583 50 0 EHAALO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc([C@@H](C)OCC)no2)C1(C)C ZINC000072311067 203200367 /nfs/dbraw/zinc/20/03/67/203200367.db2.gz FIGJLMWLZLGTCW-RBSFLKMASA-N 1 2 339.480 3.583 50 0 EHAALO Cc1cccc(C[NH+]2CCN(C(=O)c3csc(C(C)C)n3)CC2)c1 ZINC000072476340 203231852 /nfs/dbraw/zinc/23/18/52/203231852.db2.gz DNHRFNXVEGQPOG-UHFFFAOYSA-N 1 2 343.496 3.533 50 0 EHAALO Cc1[nH+]ccn1[C@@H](C)C(=O)N(C)Cc1csc(-c2ccccc2)n1 ZINC000072432337 203223640 /nfs/dbraw/zinc/22/36/40/203223640.db2.gz QNIWJZYYOQWCKT-ZDUSSCGKSA-N 1 2 340.452 3.535 50 0 EHAALO Cc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccccc2)o1 ZINC000077488824 203391365 /nfs/dbraw/zinc/39/13/65/203391365.db2.gz CBWHFRZZXJMUBE-INIZCTEOSA-N 1 2 335.407 3.998 50 0 EHAALO Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3[C@@H]3CCOC3)cc2)o1 ZINC000077488461 203391721 /nfs/dbraw/zinc/39/17/21/203391721.db2.gz VZYNEXMEDSEFEE-CQSZACIVSA-N 1 2 337.379 3.530 50 0 EHAALO Cc1cccc2[nH+]c(CNC(=O)N([C@@H](C)c3ccco3)C3CC3)cn21 ZINC000086395981 203551429 /nfs/dbraw/zinc/55/14/29/203551429.db2.gz OSRCNXGOZYBNTH-AWEZNQCLSA-N 1 2 338.411 3.671 50 0 EHAALO CCn1cc[nH+]c1CNc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000097227465 203935205 /nfs/dbraw/zinc/93/52/05/203935205.db2.gz IVFRNKLVTMHYNL-UHFFFAOYSA-N 1 2 346.434 3.718 50 0 EHAALO Cn1c(=[NH2+])n(CC(=O)c2cccc(Cl)c2)cc1-c1ccccc1 ZINC000334157506 258004888 /nfs/dbraw/zinc/00/48/88/258004888.db2.gz DDIZHOIIWSSGJN-UHFFFAOYSA-N 1 2 325.799 3.509 50 0 EHAALO O=C(OCc1c(F)cccc1Cl)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000040151858 132399206 /nfs/dbraw/zinc/39/92/06/132399206.db2.gz IQAQRMXBZFEFJB-CYBMUJFWSA-N 1 2 348.805 3.834 50 0 EHAALO COc1ccc(F)c(F)c1C[NH+]1CCC(OCc2ccccn2)CC1 ZINC000215638682 536599047 /nfs/dbraw/zinc/59/90/47/536599047.db2.gz JHFAYKXFNKSCJY-UHFFFAOYSA-N 1 2 348.393 3.550 50 0 EHAALO COc1ccccc1-c1ncc(C[N@H+](C)[C@@H](C)c2ccncn2)s1 ZINC000215011392 536971979 /nfs/dbraw/zinc/97/19/79/536971979.db2.gz FJIZICVGRSEPSU-ZDUSSCGKSA-N 1 2 340.452 3.802 50 0 EHAALO COc1ccccc1-c1ncc(C[N@@H+](C)[C@@H](C)c2ccncn2)s1 ZINC000215011392 536971985 /nfs/dbraw/zinc/97/19/85/536971985.db2.gz FJIZICVGRSEPSU-ZDUSSCGKSA-N 1 2 340.452 3.802 50 0 EHAALO Clc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccco2)cc1 ZINC000000536274 563343476 /nfs/dbraw/zinc/34/34/76/563343476.db2.gz YPMLSXLTHRVJJY-UHFFFAOYSA-N 1 2 325.759 3.674 50 0 EHAALO S=C(Nc1cccc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000004618177 563506191 /nfs/dbraw/zinc/50/61/91/563506191.db2.gz CXCBNEOKEQGLEI-UHFFFAOYSA-N 1 2 348.475 3.754 50 0 EHAALO O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000004893146 563514669 /nfs/dbraw/zinc/51/46/69/563514669.db2.gz QZHNYGXJQPMAEA-UHFFFAOYSA-N 1 2 343.430 3.711 50 0 EHAALO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)o1 ZINC000097373663 563599284 /nfs/dbraw/zinc/59/92/84/563599284.db2.gz IRDHNKDHYZVJMY-NWDGAFQWSA-N 1 2 343.406 3.677 50 0 EHAALO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccon3)C2)c1 ZINC000012385635 563659625 /nfs/dbraw/zinc/65/96/25/563659625.db2.gz KMQLDRXJQLQMCQ-INIZCTEOSA-N 1 2 328.412 3.557 50 0 EHAALO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccon3)C2)c1 ZINC000012385635 563659629 /nfs/dbraw/zinc/65/96/29/563659629.db2.gz KMQLDRXJQLQMCQ-INIZCTEOSA-N 1 2 328.412 3.557 50 0 EHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccc(F)cc2)cc1 ZINC000004354894 563665714 /nfs/dbraw/zinc/66/57/14/563665714.db2.gz NWPSHXCTLXHPJP-UHFFFAOYSA-N 1 2 333.370 3.875 50 0 EHAALO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@@H](C)C(=O)[C@@H]2C)cc1 ZINC000013139343 563690870 /nfs/dbraw/zinc/69/08/70/563690870.db2.gz RVYZVGKIODSCSZ-FQZPYLGXSA-N 1 2 339.435 3.931 50 0 EHAALO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)nc2cc(Cl)ccc12 ZINC000023550124 563919401 /nfs/dbraw/zinc/91/94/01/563919401.db2.gz QKODSWJHLBBEBW-UHFFFAOYSA-N 1 2 338.842 3.918 50 0 EHAALO COc1cc(Oc2cc[nH+]c3cc(OC)c(OC)cc32)ccc1N ZINC000044136893 563926232 /nfs/dbraw/zinc/92/62/32/563926232.db2.gz VKTFYWFVBORGFY-UHFFFAOYSA-N 1 2 326.352 3.635 50 0 EHAALO O=C(Nc1ccccc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055060305 563933549 /nfs/dbraw/zinc/93/35/49/563933549.db2.gz VNLLFUMHKHKSGH-RMKNXTFCSA-N 1 2 339.414 3.689 50 0 EHAALO CSc1ccc(C[N@H+](CCO)Cc2nc(C(C)C)cs2)cc1 ZINC000055098850 563933602 /nfs/dbraw/zinc/93/36/02/563933602.db2.gz IFLWOJSSATYEQP-UHFFFAOYSA-N 1 2 336.526 3.983 50 0 EHAALO CSc1ccc(C[N@@H+](CCO)Cc2nc(C(C)C)cs2)cc1 ZINC000055098850 563933604 /nfs/dbraw/zinc/93/36/04/563933604.db2.gz IFLWOJSSATYEQP-UHFFFAOYSA-N 1 2 336.526 3.983 50 0 EHAALO COc1cc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)ccc1OC(F)F ZINC000058416669 563945515 /nfs/dbraw/zinc/94/55/15/563945515.db2.gz USPBIEGYJGVOBS-UHFFFAOYSA-N 1 2 347.321 3.505 50 0 EHAALO C[N@H+](Cc1nnc(-c2ccco2)o1)[C@@H](c1ccccc1)c1ccccn1 ZINC000096443331 563953219 /nfs/dbraw/zinc/95/32/19/563953219.db2.gz MGSYAKGUPAMZKP-IBGZPJMESA-N 1 2 346.390 3.946 50 0 EHAALO C[N@@H+](Cc1nnc(-c2ccco2)o1)[C@@H](c1ccccc1)c1ccccn1 ZINC000096443331 563953221 /nfs/dbraw/zinc/95/32/21/563953221.db2.gz MGSYAKGUPAMZKP-IBGZPJMESA-N 1 2 346.390 3.946 50 0 EHAALO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(C(C)C)o3)ccc2NC1=O ZINC000096492086 563955707 /nfs/dbraw/zinc/95/57/07/563955707.db2.gz PNELWFZHFHORQH-IUODEOHRSA-N 1 2 343.427 3.758 50 0 EHAALO CN(Cc1ccccc1)c1[nH+]cccc1CNc1ccc(Cl)nn1 ZINC000067967727 563963166 /nfs/dbraw/zinc/96/31/66/563963166.db2.gz LPEBIXFJJIRILT-UHFFFAOYSA-N 1 2 339.830 3.774 50 0 EHAALO O=C([C@H](F)c1ccccc1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082137544 563972593 /nfs/dbraw/zinc/97/25/93/563972593.db2.gz ZXLXNYIHDDTQFY-GOSISDBHSA-N 1 2 341.430 3.710 50 0 EHAALO CCCCc1[nH]c(C[N@@H+]2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c[nH+]1 ZINC000095358968 563976722 /nfs/dbraw/zinc/97/67/22/563976722.db2.gz PGUXCDNQZHMIDV-KRWDZBQOSA-N 1 2 341.455 3.830 50 0 EHAALO CCCCc1[nH]c(C[N@H+]2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c[nH+]1 ZINC000095358968 563976723 /nfs/dbraw/zinc/97/67/23/563976723.db2.gz PGUXCDNQZHMIDV-KRWDZBQOSA-N 1 2 341.455 3.830 50 0 EHAALO Cc1ccc(CN(C)C(=O)Cn2cc[nH+]c2-c2ccccc2)s1 ZINC000095511317 563977258 /nfs/dbraw/zinc/97/72/58/563977258.db2.gz ITIZRSGTNZNECP-UHFFFAOYSA-N 1 2 325.437 3.579 50 0 EHAALO Cc1cc(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)cc[nH+]1 ZINC000119543291 563980846 /nfs/dbraw/zinc/98/08/46/563980846.db2.gz SZTXUPVTSPJRGG-SJLPKXTDSA-N 1 2 325.412 3.679 50 0 EHAALO Cc1nnc(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)o1 ZINC000181591319 564024204 /nfs/dbraw/zinc/02/42/04/564024204.db2.gz LVZSIEOHQLMSQY-QGZVFWFLSA-N 1 2 329.350 3.730 50 0 EHAALO CSc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cnc(C)s2)c1 ZINC000048314065 564031022 /nfs/dbraw/zinc/03/10/22/564031022.db2.gz TWEHRNXLNXINSH-NSHDSACASA-N 1 2 335.498 3.632 50 0 EHAALO CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cnc(C)s2)c1 ZINC000048314065 564031023 /nfs/dbraw/zinc/03/10/23/564031023.db2.gz TWEHRNXLNXINSH-NSHDSACASA-N 1 2 335.498 3.632 50 0 EHAALO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000048364604 564031572 /nfs/dbraw/zinc/03/15/72/564031572.db2.gz HKCZOJOKADMXGD-GFCCVEGCSA-N 1 2 327.815 3.770 50 0 EHAALO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000048364604 564031573 /nfs/dbraw/zinc/03/15/73/564031573.db2.gz HKCZOJOKADMXGD-GFCCVEGCSA-N 1 2 327.815 3.770 50 0 EHAALO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000198221555 564031731 /nfs/dbraw/zinc/03/17/31/564031731.db2.gz IDWYTIBTNWQSJY-OAQYLSRUSA-N 1 2 345.402 3.844 50 0 EHAALO COc1cccc(N2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)c1 ZINC000007493505 564034375 /nfs/dbraw/zinc/03/43/75/564034375.db2.gz VGHUEAOJYRBZPO-UHFFFAOYSA-N 1 2 349.434 3.672 50 0 EHAALO Cc1c[nH]c([C@H](C)NC(=O)CCc2ccc(-c3cccs3)o2)[nH+]1 ZINC000222505746 564036904 /nfs/dbraw/zinc/03/69/04/564036904.db2.gz UUGGADPTJRTAAH-LBPRGKRZSA-N 1 2 329.425 3.850 50 0 EHAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COCc1ccccc1Cl ZINC000005827540 564056570 /nfs/dbraw/zinc/05/65/70/564056570.db2.gz DIDJCHWOZQYTEK-HNNXBMFYSA-N 1 2 330.815 3.576 50 0 EHAALO Cc1cccc(C2(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CC2)c1 ZINC000053024474 564064372 /nfs/dbraw/zinc/06/43/72/564064372.db2.gz RCCCIROIGCBKJZ-UHFFFAOYSA-N 1 2 345.446 3.588 50 0 EHAALO O=[S@](Cc1cn2cc(Br)ccc2[nH+]1)Cc1ccccc1 ZINC000083944129 564065025 /nfs/dbraw/zinc/06/50/25/564065025.db2.gz MYNWTJSZVWBTTA-HXUWFJFHSA-N 1 2 349.253 3.546 50 0 EHAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC3CCCCC3)c2C1 ZINC000012771983 564068972 /nfs/dbraw/zinc/06/89/72/564068972.db2.gz MKINZBCSAYGCHD-UHFFFAOYSA-N 1 2 337.467 3.675 50 0 EHAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC3CCCCC3)c2C1 ZINC000012771983 564068973 /nfs/dbraw/zinc/06/89/73/564068973.db2.gz MKINZBCSAYGCHD-UHFFFAOYSA-N 1 2 337.467 3.675 50 0 EHAALO C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(-c2c[nH+]c3n2CCC3)c1 ZINC000085471563 564073465 /nfs/dbraw/zinc/07/34/65/564073465.db2.gz VUYXUJSPHHXQET-OAHLLOKOSA-N 1 2 347.418 3.902 50 0 EHAALO Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1F ZINC000012942144 564079653 /nfs/dbraw/zinc/07/96/53/564079653.db2.gz BLJRMTUGXXQGPR-UHFFFAOYSA-N 1 2 333.432 3.829 50 0 EHAALO COc1c(C)c[nH+]c(CSc2ccc(C(F)(F)F)nn2)c1C ZINC000186837936 564082205 /nfs/dbraw/zinc/08/22/05/564082205.db2.gz JOBFXWDSGYIEOO-UHFFFAOYSA-N 1 2 329.347 3.808 50 0 EHAALO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)CC(=O)[C@@H]2C)cc1 ZINC000055433718 564084331 /nfs/dbraw/zinc/08/43/31/564084331.db2.gz LUPLWIXSMMGDLK-YHJVDBJQSA-N 1 2 325.408 3.685 50 0 EHAALO Cc1nc(C[NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cs1 ZINC000096424537 564086441 /nfs/dbraw/zinc/08/64/41/564086441.db2.gz RPCDNAPTGKOJSQ-UHFFFAOYSA-N 1 2 330.379 3.573 50 0 EHAALO CCOc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C)CC2 ZINC000242339298 564088491 /nfs/dbraw/zinc/08/84/91/564088491.db2.gz ZGQBSWBLSUUESJ-YRNRMSPPSA-N 1 2 344.499 3.527 50 0 EHAALO CCOc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C)CC2 ZINC000242339298 564088492 /nfs/dbraw/zinc/08/84/92/564088492.db2.gz ZGQBSWBLSUUESJ-YRNRMSPPSA-N 1 2 344.499 3.527 50 0 EHAALO CCN(CC)c1ncc(C=[NH+]Nc2ccc3ccccc3n2)s1 ZINC000252452579 564090117 /nfs/dbraw/zinc/09/01/17/564090117.db2.gz PQYJYALJOLDPBS-UHFFFAOYSA-N 1 2 325.441 3.984 50 0 EHAALO Cn1cc[nH+]c1C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000252486590 564119373 /nfs/dbraw/zinc/11/93/73/564119373.db2.gz LZNRSCADABDLMZ-ZCNNSNEGSA-N 1 2 345.446 3.624 50 0 EHAALO O=C(c1ccc(F)cc1Cl)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000252490936 564119538 /nfs/dbraw/zinc/11/95/38/564119538.db2.gz LFMROGWHPSYHGT-UHFFFAOYSA-N 1 2 334.778 3.558 50 0 EHAALO Cc1nscc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000253426337 564131149 /nfs/dbraw/zinc/13/11/49/564131149.db2.gz NAISZTYCHVWXTK-UHFFFAOYSA-N 1 2 336.420 3.619 50 0 EHAALO Cc1ncc(CN(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)s1 ZINC000079034349 564137720 /nfs/dbraw/zinc/13/77/20/564137720.db2.gz UQUUGHROBBUVJD-UHFFFAOYSA-N 1 2 339.420 3.911 50 0 EHAALO O=C(CCCn1cc[nH+]c1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000079093455 564137861 /nfs/dbraw/zinc/13/78/61/564137861.db2.gz XKKKGTQMZZCAHH-CQSZACIVSA-N 1 2 338.238 3.774 50 0 EHAALO Cc1ncccc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000095394038 564139411 /nfs/dbraw/zinc/13/94/11/564139411.db2.gz XOGYAYSKEVPLNY-UHFFFAOYSA-N 1 2 332.407 3.842 50 0 EHAALO Cc1csc([C@@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C2CC2)n1 ZINC000095405371 564139566 /nfs/dbraw/zinc/13/95/66/564139566.db2.gz VRKJLMSHGSNHBM-KBPBESRZSA-N 1 2 345.472 3.563 50 0 EHAALO C[C@H]([NH2+][C@H](c1cccnc1)c1ccc(F)c(F)c1)c1cnn(C)c1 ZINC000095421795 564140025 /nfs/dbraw/zinc/14/00/25/564140025.db2.gz IBPQXGNYCPLDBI-SGTLLEGYSA-N 1 2 328.366 3.534 50 0 EHAALO COc1cccc(C[N@H+](C)[C@@H](c2ccc(F)cc2)c2ncccn2)c1 ZINC000095431944 564140342 /nfs/dbraw/zinc/14/03/42/564140342.db2.gz YFLROEDJYNVZKM-IBGZPJMESA-N 1 2 337.398 3.846 50 0 EHAALO COc1cccc(C[N@@H+](C)[C@@H](c2ccc(F)cc2)c2ncccn2)c1 ZINC000095431944 564140343 /nfs/dbraw/zinc/14/03/43/564140343.db2.gz YFLROEDJYNVZKM-IBGZPJMESA-N 1 2 337.398 3.846 50 0 EHAALO C[C@@H](c1ccccn1)[N@H+](CC(=O)NC1CCCC1)Cc1ccccc1 ZINC000095456001 564140617 /nfs/dbraw/zinc/14/06/17/564140617.db2.gz LFNIGGAJYPXWSY-KRWDZBQOSA-N 1 2 337.467 3.704 50 0 EHAALO C[C@@H](c1ccccn1)[N@@H+](CC(=O)NC1CCCC1)Cc1ccccc1 ZINC000095456001 564140618 /nfs/dbraw/zinc/14/06/18/564140618.db2.gz LFNIGGAJYPXWSY-KRWDZBQOSA-N 1 2 337.467 3.704 50 0 EHAALO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)CCn1c2ccccc2oc1=O ZINC000095963276 564142809 /nfs/dbraw/zinc/14/28/09/564142809.db2.gz UWVMRSPTLIFXDT-ZDUSSCGKSA-N 1 2 343.427 3.573 50 0 EHAALO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCn1c2ccccc2oc1=O ZINC000095963276 564142810 /nfs/dbraw/zinc/14/28/10/564142810.db2.gz UWVMRSPTLIFXDT-ZDUSSCGKSA-N 1 2 343.427 3.573 50 0 EHAALO c1cn(Cc2ccccc2)c(CNc2cccc(-c3nnco3)c2)[nH+]1 ZINC000096482773 564148594 /nfs/dbraw/zinc/14/85/94/564148594.db2.gz BZAJQEUNXQGWEW-UHFFFAOYSA-N 1 2 331.379 3.594 50 0 EHAALO Cc1cc(NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc[nH+]1 ZINC000096489201 564148734 /nfs/dbraw/zinc/14/87/34/564148734.db2.gz VCDXJULBQYDTGL-CYBMUJFWSA-N 1 2 338.411 3.621 50 0 EHAALO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@H](C)c1ccncc1 ZINC000097038402 564149254 /nfs/dbraw/zinc/14/92/54/564149254.db2.gz ZSLGFWVNWONMOQ-OAHLLOKOSA-N 1 2 341.455 3.879 50 0 EHAALO O=C(Nc1cccc(NC2CC[NH+](CC(F)F)CC2)c1)c1ccoc1 ZINC000097084594 564149378 /nfs/dbraw/zinc/14/93/78/564149378.db2.gz BPTFWLBNRBPNCG-UHFFFAOYSA-N 1 2 349.381 3.673 50 0 EHAALO Cc1cc(NC[C@H](O)c2ccc(Cl)cc2)nc(-c2ccncc2)[nH+]1 ZINC000057826226 564155965 /nfs/dbraw/zinc/15/59/65/564155965.db2.gz SXOARWHIKGVFAS-INIZCTEOSA-N 1 2 340.814 3.646 50 0 EHAALO CC(C)([NH2+]Cc1noc(C2CC2)n1)c1cccc(C(F)(F)F)c1 ZINC000057847004 564156157 /nfs/dbraw/zinc/15/61/57/564156157.db2.gz JLEYOLOJWGKTBX-UHFFFAOYSA-N 1 2 325.334 3.991 50 0 EHAALO C[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008229911 564163667 /nfs/dbraw/zinc/16/36/67/564163667.db2.gz LJSIXBLMMIVPAY-OAHLLOKOSA-N 1 2 331.419 3.852 50 0 EHAALO CC[C@@H](NC(=O)N(C)Cc1[nH]c2ccccc2c1C)c1[nH]cc(C)[nH+]1 ZINC000670473774 564167133 /nfs/dbraw/zinc/16/71/33/564167133.db2.gz UHMZRQXJFMBBAP-OAHLLOKOSA-N 1 2 339.443 3.801 50 0 EHAALO Cc1nc2c3ccccc3nc(SCc3cn4ccccc4[nH+]3)n2n1 ZINC000008747709 564167208 /nfs/dbraw/zinc/16/72/08/564167208.db2.gz MMXXQLPIJCZTPV-UHFFFAOYSA-N 1 2 346.419 3.526 50 0 EHAALO COc1ccc([C@H]2CCC[N@@H+]2Cn2nc3ccccn3c2=S)cc1 ZINC000008748763 564167210 /nfs/dbraw/zinc/16/72/10/564167210.db2.gz VUAJKLPVNROOCW-MRXNPFEDSA-N 1 2 340.452 3.668 50 0 EHAALO COc1ccc([C@H]2CCC[N@H+]2Cn2nc3ccccn3c2=S)cc1 ZINC000008748763 564167211 /nfs/dbraw/zinc/16/72/11/564167211.db2.gz VUAJKLPVNROOCW-MRXNPFEDSA-N 1 2 340.452 3.668 50 0 EHAALO Cc1cccc2[nH+]c(CNC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)cn21 ZINC000068570202 564167646 /nfs/dbraw/zinc/16/76/46/564167646.db2.gz ZTLITOMJLRBWAS-CHWSQXEVSA-N 1 2 339.361 3.628 50 0 EHAALO CCc1nnc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000069161162 564168511 /nfs/dbraw/zinc/16/85/11/564168511.db2.gz KUTWFQISBPMEQA-UHFFFAOYSA-N 1 2 326.375 3.542 50 0 EHAALO CCc1nnc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000069161162 564168512 /nfs/dbraw/zinc/16/85/12/564168512.db2.gz KUTWFQISBPMEQA-UHFFFAOYSA-N 1 2 326.375 3.542 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[NH+]1CCCCCC1)S2 ZINC000041637251 564174226 /nfs/dbraw/zinc/17/42/26/564174226.db2.gz UAZKEBZRLXTTJK-OAHLLOKOSA-N 1 2 342.468 3.770 50 0 EHAALO O=C(NCCc1cn2ccccc2[nH+]1)c1cc2c(s1)CCCCC2 ZINC000010355942 564175331 /nfs/dbraw/zinc/17/53/31/564175331.db2.gz YFBOUTLEQLKTLL-UHFFFAOYSA-N 1 2 339.464 3.637 50 0 EHAALO O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000161932120 1031058475 /nfs/dbraw/zinc/05/84/75/1031058475.db2.gz PJJXDBRNMRYJAB-UHFFFAOYSA-N 1 2 341.436 3.772 50 0 EHAALO CCOc1ccc2c(c1)[C@H](Nc1cc(C)[nH+]c(C3CC3)n1)CCO2 ZINC000185939979 1127205396 /nfs/dbraw/zinc/20/53/96/1127205396.db2.gz RFNLFKZTAPZGKB-MRXNPFEDSA-N 1 2 325.412 3.997 50 0 EHAALO CCCNC(=O)N1CCC(n2c(C)c[nH+]c2-c2ccccc2)CC1 ZINC000581808902 1132371683 /nfs/dbraw/zinc/37/16/83/1132371683.db2.gz YBCYURNFXKAQJH-UHFFFAOYSA-N 1 2 326.444 3.615 50 0 EHAALO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)C(=O)Nc1ccccc1F ZINC000007004052 201710229 /nfs/dbraw/zinc/71/02/29/201710229.db2.gz KYHFKYKOEPVWOX-AWEZNQCLSA-N 1 2 327.403 3.865 50 0 EHAALO O=c1[nH]c2c(c3ccccc13)[C@H](c1ccccc1)N1C=CN=CC1=[NH+]2 ZINC000012810160 201869466 /nfs/dbraw/zinc/86/94/66/201869466.db2.gz VHWYYHJAQYHNEW-SFHVURJKSA-N 1 2 326.359 3.519 50 0 EHAALO C[C@@H](NC(=O)NC1CCC(C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040024090 213250954 /nfs/dbraw/zinc/25/09/54/213250954.db2.gz VKSASZMYAVBEOO-ISXOHVOVSA-N 1 2 326.444 3.811 50 0 EHAALO [NH2+]=c1n(Cc2ccccc2)c2ccccc2n1C[C@H](O)c1cccs1 ZINC000019771394 202019602 /nfs/dbraw/zinc/01/96/02/202019602.db2.gz FUSMUZNHMXYEGC-SFHVURJKSA-N 1 2 349.459 3.766 50 0 EHAALO CCC(CC)c1[nH]nc2c1C[N@H+](Cc1c(C)nn(C)c1Cl)CC2 ZINC000020599591 202050493 /nfs/dbraw/zinc/05/04/93/202050493.db2.gz PPXINUDCUAGBNV-UHFFFAOYSA-N 1 2 335.883 3.567 50 0 EHAALO CCC(CC)c1[nH]nc2c1C[N@@H+](Cc1c(C)nn(C)c1Cl)CC2 ZINC000020599591 202050494 /nfs/dbraw/zinc/05/04/94/202050494.db2.gz PPXINUDCUAGBNV-UHFFFAOYSA-N 1 2 335.883 3.567 50 0 EHAALO C[C@@H](Oc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289543 202082209 /nfs/dbraw/zinc/08/22/09/202082209.db2.gz HLETXIVBIHCAEQ-CQSZACIVSA-N 1 2 345.468 3.535 50 0 EHAALO FC(F)(F)c1nc2ccccc2c(NCCNc2cccc[nH+]2)n1 ZINC000024773273 202120600 /nfs/dbraw/zinc/12/06/00/202120600.db2.gz VWPPTWJTXYDQHK-UHFFFAOYSA-N 1 2 333.317 3.568 50 0 EHAALO C[C@H](Sc1ccccc1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000040007797 202166571 /nfs/dbraw/zinc/16/65/71/202166571.db2.gz OIFMVZZTGYBKFY-QFBILLFUSA-N 1 2 340.492 3.683 50 0 EHAALO C[C@H](Sc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000040007797 202166574 /nfs/dbraw/zinc/16/65/74/202166574.db2.gz OIFMVZZTGYBKFY-QFBILLFUSA-N 1 2 340.492 3.683 50 0 EHAALO COc1cccc([C@H]([NH2+]Cc2ccc(C)s2)c2nccn2C)c1 ZINC000030648116 202197231 /nfs/dbraw/zinc/19/72/31/202197231.db2.gz ILYMAQMRZQXCNV-KRWDZBQOSA-N 1 2 327.453 3.678 50 0 EHAALO COc1ccc(Cl)cc1COC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000032823778 202236726 /nfs/dbraw/zinc/23/67/26/202236726.db2.gz JXQXWRGLOXAWNC-UHFFFAOYSA-N 1 2 344.798 3.750 50 0 EHAALO O=C([C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CCCCC1 ZINC000032879825 202239756 /nfs/dbraw/zinc/23/97/56/202239756.db2.gz BNVOTRRMNVKHTF-IBGZPJMESA-N 1 2 340.492 3.860 50 0 EHAALO O=C([C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CCCCC1 ZINC000032879825 202239760 /nfs/dbraw/zinc/23/97/60/202239760.db2.gz BNVOTRRMNVKHTF-IBGZPJMESA-N 1 2 340.492 3.860 50 0 EHAALO Cc1ccccc1NC(=O)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000033071710 202249975 /nfs/dbraw/zinc/24/99/75/202249975.db2.gz CJXXZAIEJOLZGL-OAHLLOKOSA-N 1 2 334.423 3.726 50 0 EHAALO COC[C@@H](c1ccccn1)N(C)Cc1c[nH+]cn1C1CCCCC1 ZINC000244794987 243086394 /nfs/dbraw/zinc/08/63/94/243086394.db2.gz QXOOBYSZRALIDR-IBGZPJMESA-N 1 2 328.460 3.603 50 0 EHAALO Cc1ccc(-c2ccnc(CC[C@@H]3COc4ccccc4O3)n2)c(C)[nH+]1 ZINC000244884358 243098546 /nfs/dbraw/zinc/09/85/46/243098546.db2.gz YLCASJRBVQWRCL-MRXNPFEDSA-N 1 2 347.418 3.928 50 0 EHAALO CCOc1ncccc1Cn1c[nH+]c(-c2ccccc2)c1[C@H]1CCOC1 ZINC000065495292 202854565 /nfs/dbraw/zinc/85/45/65/202854565.db2.gz DEEJMCLGJWHLRN-SFHVURJKSA-N 1 2 349.434 3.896 50 0 EHAALO C[C@H](C(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1)n1cc[nH+]c1 ZINC000069595407 203025333 /nfs/dbraw/zinc/02/53/33/203025333.db2.gz CRPZVKYNIIZROQ-CQSZACIVSA-N 1 2 345.406 3.637 50 0 EHAALO CCN(C(=O)c1cc(C)ccc1C)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000069701440 203038613 /nfs/dbraw/zinc/03/86/13/203038613.db2.gz NXHLJVRIRNXUBC-LJQANCHMSA-N 1 2 348.450 3.684 50 0 EHAALO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000069979820 203069474 /nfs/dbraw/zinc/06/94/74/203069474.db2.gz CEBWCOCLLIEMPY-INIZCTEOSA-N 1 2 340.345 3.539 50 0 EHAALO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000069979820 203069477 /nfs/dbraw/zinc/06/94/77/203069477.db2.gz CEBWCOCLLIEMPY-INIZCTEOSA-N 1 2 340.345 3.539 50 0 EHAALO Cc1cccc(C2=CCN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)CC2)c1 ZINC000092695866 203086726 /nfs/dbraw/zinc/08/67/26/203086726.db2.gz YSNWLXKSPUIMHE-UHFFFAOYSA-N 1 2 344.418 3.505 50 0 EHAALO COc1ccccc1-c1[nH+]ccn1Cc1ccc(N2CCCC2=O)cc1 ZINC000071736543 203104866 /nfs/dbraw/zinc/10/48/66/203104866.db2.gz OQYSOHHZUMVPNO-UHFFFAOYSA-N 1 2 347.418 3.734 50 0 EHAALO Cc1ccc2cccc(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2n1 ZINC000072285078 203191326 /nfs/dbraw/zinc/19/13/26/203191326.db2.gz QBXUVGJHEYDTFL-OAHLLOKOSA-N 1 2 335.411 3.678 50 0 EHAALO Fc1c(Cl)cccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccco1 ZINC000072411375 203217606 /nfs/dbraw/zinc/21/76/06/203217606.db2.gz KJYRRDWHCUNYPT-KRWDZBQOSA-N 1 2 331.778 3.943 50 0 EHAALO Cc1cc(N2CCC[C@H](Cn3cc[nH+]c3)C2)nc(-c2ccccc2)n1 ZINC000077356707 203383288 /nfs/dbraw/zinc/38/32/88/203383288.db2.gz LDAZCXIBNAZZKN-QGZVFWFLSA-N 1 2 333.439 3.565 50 0 EHAALO CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCCn2cc[nH+]c2)o1 ZINC000089286600 203572590 /nfs/dbraw/zinc/57/25/90/203572590.db2.gz AEEKSRVODCIVEU-DOTOQJQBSA-N 1 2 329.444 3.819 50 0 EHAALO CCn1c2ccc(F)cc2[nH+]c1NCc1c[nH]nc1-c1cccnc1 ZINC000128907446 205169130 /nfs/dbraw/zinc/16/91/30/205169130.db2.gz ITBUVYMAHRXUFR-UHFFFAOYSA-N 1 2 336.374 3.593 50 0 EHAALO O=C(C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccco2)o1)c1cccs1 ZINC000177400590 257954070 /nfs/dbraw/zinc/95/40/70/257954070.db2.gz NIRSMMOUSYPGET-GFCCVEGCSA-N 1 2 343.408 3.629 50 0 EHAALO O=C(C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccco2)o1)c1cccs1 ZINC000177400590 257954072 /nfs/dbraw/zinc/95/40/72/257954072.db2.gz NIRSMMOUSYPGET-GFCCVEGCSA-N 1 2 343.408 3.629 50 0 EHAALO Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000408522605 262514540 /nfs/dbraw/zinc/51/45/40/262514540.db2.gz KHHAHJOQVZRASO-ROUUACIJSA-N 1 2 339.483 4.000 50 0 EHAALO CC(C)Cc1noc(CN(C)Cc2c[nH+]cn2C2CCCCC2)n1 ZINC000244773824 535344189 /nfs/dbraw/zinc/34/41/89/535344189.db2.gz PHFPSUOKESBDGR-UHFFFAOYSA-N 1 2 331.464 3.602 50 0 EHAALO Fc1ccc(N2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000000152934 563246726 /nfs/dbraw/zinc/24/67/26/563246726.db2.gz SRWILTVPDQCSNV-UHFFFAOYSA-N 1 2 336.414 3.538 50 0 EHAALO Fc1ccc(N2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)cc1 ZINC000000152934 563246728 /nfs/dbraw/zinc/24/67/28/563246728.db2.gz SRWILTVPDQCSNV-UHFFFAOYSA-N 1 2 336.414 3.538 50 0 EHAALO O=S(=O)(Nc1ccc2c(c1)[nH+]cn2-c1ccccc1)c1ccccc1 ZINC000000548672 563344884 /nfs/dbraw/zinc/34/48/84/563344884.db2.gz LRAYYEFZEUGCEE-UHFFFAOYSA-N 1 2 349.415 3.826 50 0 EHAALO Cc1cc(Cl)ccc1-n1ncc2c1nc[nH+]c2N1CCCCC1 ZINC000015880910 563799403 /nfs/dbraw/zinc/79/94/03/563799403.db2.gz QUKWADUJADPFAI-UHFFFAOYSA-N 1 2 327.819 3.768 50 0 EHAALO Cc1cc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cs1 ZINC000016580585 563815372 /nfs/dbraw/zinc/81/53/72/563815372.db2.gz HIQBTDBAYRICMV-UHFFFAOYSA-N 1 2 334.872 3.668 50 0 EHAALO Cc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CC2)c(C)c1 ZINC000016903737 563825651 /nfs/dbraw/zinc/82/56/51/563825651.db2.gz OLJJPTPADNOTJG-QGZVFWFLSA-N 1 2 336.435 3.970 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc2ccccc2cc1O ZINC000010737206 563860432 /nfs/dbraw/zinc/86/04/32/563860432.db2.gz VOXNOVRVSWDMMB-UHFFFAOYSA-N 1 2 345.402 3.634 50 0 EHAALO c1ccc2[nH+]c([C@H]3CCCN(c4ncnc5ccccc54)C3)[nH]c2c1 ZINC000025005765 563879718 /nfs/dbraw/zinc/87/97/18/563879718.db2.gz NQTMYOPKRXVETE-AWEZNQCLSA-N 1 2 329.407 3.890 50 0 EHAALO O=C(Cc1csc(-c2cccs2)n1)Nc1ccc2[nH+]ccn2c1 ZINC000072283513 563905954 /nfs/dbraw/zinc/90/59/54/563905954.db2.gz RJZSIDIRGGYIQG-UHFFFAOYSA-N 1 2 340.433 3.701 50 0 EHAALO C[C@@H](c1noc(-c2[nH]c3ccc(F)cc3c2Cl)n1)n1cc[nH+]c1 ZINC000072285634 563907196 /nfs/dbraw/zinc/90/71/96/563907196.db2.gz JCDRJHXJUDZTLR-QMMMGPOBSA-N 1 2 331.738 3.816 50 0 EHAALO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000055392862 563934615 /nfs/dbraw/zinc/93/46/15/563934615.db2.gz HPOPUFZVLHUPIF-CQSZACIVSA-N 1 2 336.844 3.534 50 0 EHAALO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000055392862 563934617 /nfs/dbraw/zinc/93/46/17/563934617.db2.gz HPOPUFZVLHUPIF-CQSZACIVSA-N 1 2 336.844 3.534 50 0 EHAALO CC[C@H]1CCCC[N@@H+]1CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000057945184 563936046 /nfs/dbraw/zinc/93/60/46/563936046.db2.gz AZRPVYXSCUNGCY-JTQLQIEISA-N 1 2 341.238 3.811 50 0 EHAALO CC[C@H]1CCCC[N@H+]1CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000057945184 563936047 /nfs/dbraw/zinc/93/60/47/563936047.db2.gz AZRPVYXSCUNGCY-JTQLQIEISA-N 1 2 341.238 3.811 50 0 EHAALO CSc1ccc(C[N@H+](C)Cc2csc(-c3ncccn3)n2)cc1 ZINC000057992009 563936258 /nfs/dbraw/zinc/93/62/58/563936258.db2.gz QFHNKQDBGYWFNZ-UHFFFAOYSA-N 1 2 342.493 3.954 50 0 EHAALO CSc1ccc(C[N@@H+](C)Cc2csc(-c3ncccn3)n2)cc1 ZINC000057992009 563936259 /nfs/dbraw/zinc/93/62/59/563936259.db2.gz QFHNKQDBGYWFNZ-UHFFFAOYSA-N 1 2 342.493 3.954 50 0 EHAALO CC(C)c1nc(CN[C@@H](c2[nH+]ccn2C)c2ccccc2)cs1 ZINC000058310515 563942318 /nfs/dbraw/zinc/94/23/18/563942318.db2.gz KBNWSYXNWLDXIH-MRXNPFEDSA-N 1 2 326.469 3.879 50 0 EHAALO Cc1ccccc1NC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000058329853 563942668 /nfs/dbraw/zinc/94/26/68/563942668.db2.gz SRSMZKFHBYNFKV-CQSZACIVSA-N 1 2 326.444 3.893 50 0 EHAALO Cc1nc(C2CCCC2)sc1C(=O)N[C@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000096431138 563952615 /nfs/dbraw/zinc/95/26/15/563952615.db2.gz LORRTLXZYJPMER-LSDHHAIUSA-N 1 2 344.484 3.829 50 0 EHAALO CCn1cc(C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)cn1 ZINC000096473230 563954711 /nfs/dbraw/zinc/95/47/11/563954711.db2.gz PVOJMAJPMMYBLJ-SFHVURJKSA-N 1 2 326.831 3.831 50 0 EHAALO Cc1cc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)oc1C ZINC000096493008 563955627 /nfs/dbraw/zinc/95/56/27/563955627.db2.gz WBDOHYVBJKAQAE-UHFFFAOYSA-N 1 2 349.434 3.534 50 0 EHAALO c1cn(CCc2c[nH]c[nH+]2)c(-c2ccc([C@H]3CCCCO3)s2)n1 ZINC000067515032 563962357 /nfs/dbraw/zinc/96/23/57/563962357.db2.gz PRKKSDJQQPCCSP-CQSZACIVSA-N 1 2 328.441 3.819 50 0 EHAALO Cc1[nH+]cnc(N2CCC[C@](CO)(CCCc3ccccc3)C2)c1C ZINC000067772934 563962710 /nfs/dbraw/zinc/96/27/10/563962710.db2.gz YJXURGMBTMQCAT-OAQYLSRUSA-N 1 2 339.483 3.695 50 0 EHAALO Cc1ccccc1-c1cc(O)c2c(c1)CN(c1cc[nH+]c(C)n1)CCO2 ZINC000067804356 563962773 /nfs/dbraw/zinc/96/27/73/563962773.db2.gz IQHGWAYKAIIDAF-UHFFFAOYSA-N 1 2 347.418 3.865 50 0 EHAALO Cc1oc(-c2cccc(Cl)c2)nc1CN(C)Cc1[nH+]ccn1C ZINC000067867546 563962914 /nfs/dbraw/zinc/96/29/14/563962914.db2.gz LUWJNAZZMLPPJF-UHFFFAOYSA-N 1 2 330.819 3.669 50 0 EHAALO c1cn([C@H](CCn2cc[nH+]c2)c2ccccc2)c(-c2cccnc2)n1 ZINC000067946545 563963072 /nfs/dbraw/zinc/96/30/72/563963072.db2.gz RTEFMQWZZPYNOF-LJQANCHMSA-N 1 2 329.407 3.821 50 0 EHAALO Cc1nc(Cn2cc[nH+]c2-c2cncc(Br)c2)cs1 ZINC000097085725 563967304 /nfs/dbraw/zinc/96/73/04/563967304.db2.gz HUJDGRZHXNEJMV-UHFFFAOYSA-N 1 2 335.230 3.521 50 0 EHAALO Cc1ccc(-c2csc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)n2)cc1 ZINC000096999935 563970950 /nfs/dbraw/zinc/97/09/50/563970950.db2.gz PGMHICQXSNQZMN-AWEZNQCLSA-N 1 2 338.436 3.516 50 0 EHAALO COc1cccc([C@H]2CCCN2C(=O)Cc2c(C)[nH+]c3ccccn32)c1 ZINC000082120660 563972499 /nfs/dbraw/zinc/97/24/99/563972499.db2.gz WOHNHRSPJXTUIZ-GOSISDBHSA-N 1 2 349.434 3.558 50 0 EHAALO CC(C)c1ccc(N2C(=O)C[C@@H]([N@@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000096299662 563980705 /nfs/dbraw/zinc/98/07/05/563980705.db2.gz NHNGXDDPWYDQES-HXUWFJFHSA-N 1 2 348.446 3.500 50 0 EHAALO CC(C)c1ccc(N2C(=O)C[C@@H]([N@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000096299662 563980706 /nfs/dbraw/zinc/98/07/06/563980706.db2.gz NHNGXDDPWYDQES-HXUWFJFHSA-N 1 2 348.446 3.500 50 0 EHAALO Cc1cc(C)n(C2C[NH+](Cc3ccc([C@@H]4CCCCO4)s3)C2)n1 ZINC000097137550 563981355 /nfs/dbraw/zinc/98/13/55/563981355.db2.gz FCPBAFWAMGHDCK-KRWDZBQOSA-N 1 2 331.485 3.860 50 0 EHAALO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1sc(N(C)C)nc1Cl ZINC000097413198 563981531 /nfs/dbraw/zinc/98/15/31/563981531.db2.gz SOCXSFXPYFKQLP-NSHDSACASA-N 1 2 340.880 3.804 50 0 EHAALO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1sc(N(C)C)nc1Cl ZINC000097413198 563981532 /nfs/dbraw/zinc/98/15/32/563981532.db2.gz SOCXSFXPYFKQLP-NSHDSACASA-N 1 2 340.880 3.804 50 0 EHAALO CCOC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000000152433 563987394 /nfs/dbraw/zinc/98/73/94/563987394.db2.gz APDQBUZIBNSYKT-UHFFFAOYSA-N 1 2 331.243 3.658 50 0 EHAALO CCOC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000000152433 563987395 /nfs/dbraw/zinc/98/73/95/563987395.db2.gz APDQBUZIBNSYKT-UHFFFAOYSA-N 1 2 331.243 3.658 50 0 EHAALO Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000408522604 563993234 /nfs/dbraw/zinc/99/32/34/563993234.db2.gz KHHAHJOQVZRASO-QZTJIDSGSA-N 1 2 339.483 4.000 50 0 EHAALO Cc1ccc(CCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000044891555 564027538 /nfs/dbraw/zinc/02/75/38/564027538.db2.gz AAUJRVCVGAYOIC-HXUWFJFHSA-N 1 2 333.435 3.567 50 0 EHAALO O=C(N[C@H]1CCSc2ccccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044911190 564027698 /nfs/dbraw/zinc/02/76/98/564027698.db2.gz FDQZECGVAPQMHO-SFHVURJKSA-N 1 2 349.459 3.898 50 0 EHAALO c1cc([C@H]2CCC[N@H+]2Cc2csc(-c3ncccn3)n2)cs1 ZINC000044975354 564027902 /nfs/dbraw/zinc/02/79/02/564027902.db2.gz AOYAYHYNEKSHMK-CQSZACIVSA-N 1 2 328.466 3.999 50 0 EHAALO c1cc([C@H]2CCC[N@@H+]2Cc2csc(-c3ncccn3)n2)cs1 ZINC000044975354 564027903 /nfs/dbraw/zinc/02/79/03/564027903.db2.gz AOYAYHYNEKSHMK-CQSZACIVSA-N 1 2 328.466 3.999 50 0 EHAALO Cc1nc(NCC2(c3ccc(Cl)cc3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000223618744 564040483 /nfs/dbraw/zinc/04/04/83/564040483.db2.gz BBVHGQPXRVHPCQ-UHFFFAOYSA-N 1 2 343.858 3.820 50 0 EHAALO CC[N@H+](Cc1ccc(Cl)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000018936198 564052707 /nfs/dbraw/zinc/05/27/07/564052707.db2.gz VUDXTYOUSKJIDN-UHFFFAOYSA-N 1 2 333.844 3.660 50 0 EHAALO CC[N@@H+](Cc1ccc(Cl)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000018936198 564052708 /nfs/dbraw/zinc/05/27/08/564052708.db2.gz VUDXTYOUSKJIDN-UHFFFAOYSA-N 1 2 333.844 3.660 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCC1CCCC1)c1ccc(F)cc1 ZINC000012530071 564058204 /nfs/dbraw/zinc/05/82/04/564058204.db2.gz DILHHGLUSKQHNJ-SFHVURJKSA-N 1 2 329.419 3.735 50 0 EHAALO Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012549666 564059033 /nfs/dbraw/zinc/05/90/33/564059033.db2.gz OAIQDKKTWACLJG-IAGOWNOFSA-N 1 2 349.434 3.825 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000012579750 564060018 /nfs/dbraw/zinc/06/00/18/564060018.db2.gz IGEDXSLZRXZGRW-MRXNPFEDSA-N 1 2 340.814 3.985 50 0 EHAALO Cc1ccc2[nH]c(CCCNC(=O)N(C)Cc3ccoc3)[nH+]c2c1C ZINC000534659717 564061495 /nfs/dbraw/zinc/06/14/95/564061495.db2.gz MTTXKSVGNAEGPN-UHFFFAOYSA-N 1 2 340.427 3.547 50 0 EHAALO COc1c(Cl)cccc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000083915282 564064633 /nfs/dbraw/zinc/06/46/33/564064633.db2.gz WXTCINHIYJGODF-ZDUSSCGKSA-N 1 2 334.807 3.831 50 0 EHAALO C[C@H](C(=O)NC1CCCC1)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000012902295 564077696 /nfs/dbraw/zinc/07/76/96/564077696.db2.gz NZCOLBZLEFWKBO-LLVKDONJSA-N 1 2 329.271 3.873 50 0 EHAALO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000012902295 564077697 /nfs/dbraw/zinc/07/76/97/564077697.db2.gz NZCOLBZLEFWKBO-LLVKDONJSA-N 1 2 329.271 3.873 50 0 EHAALO Cc1ccsc1C(=O)N1CC[C@@H](n2c(C)[nH+]c3ccccc32)C1 ZINC000575619013 564083699 /nfs/dbraw/zinc/08/36/99/564083699.db2.gz ZBYYHNWNPALHOC-CQSZACIVSA-N 1 2 325.437 3.802 50 0 EHAALO CC(C)c1noc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192077252 564090005 /nfs/dbraw/zinc/09/00/05/564090005.db2.gz HPGPYDITURIIHT-HIFRSBDPSA-N 1 2 339.798 3.605 50 0 EHAALO CC(C)CN(Cc1[nH+]ccn1Cc1cccc(F)c1)C(=O)C(C)C ZINC000006690762 564096066 /nfs/dbraw/zinc/09/60/66/564096066.db2.gz AYHQIHOJKWMHNN-UHFFFAOYSA-N 1 2 331.435 3.711 50 0 EHAALO Fc1ccccc1C[N@@H+]1CCCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000065286114 564104374 /nfs/dbraw/zinc/10/43/74/564104374.db2.gz YZMXKKNTUQTIFT-KRWDZBQOSA-N 1 2 338.386 3.998 50 0 EHAALO Fc1ccccc1C[N@H+]1CCCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000065286114 564104375 /nfs/dbraw/zinc/10/43/75/564104375.db2.gz YZMXKKNTUQTIFT-KRWDZBQOSA-N 1 2 338.386 3.998 50 0 EHAALO Cc1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c(C)c1 ZINC000065588981 564107884 /nfs/dbraw/zinc/10/78/84/564107884.db2.gz WALRPUBJCWCQRI-UHFFFAOYSA-N 1 2 334.423 3.870 50 0 EHAALO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000007486637 564108852 /nfs/dbraw/zinc/10/88/52/564108852.db2.gz QPGRSJFAGXSNLN-INIZCTEOSA-N 1 2 336.435 3.731 50 0 EHAALO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000007486637 564108853 /nfs/dbraw/zinc/10/88/53/564108853.db2.gz QPGRSJFAGXSNLN-INIZCTEOSA-N 1 2 336.435 3.731 50 0 EHAALO Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2F)C2CC2)c(F)c1 ZINC000007858016 564124268 /nfs/dbraw/zinc/12/42/68/564124268.db2.gz ZPCLIAVOIFPCNC-UHFFFAOYSA-N 1 2 330.378 3.876 50 0 EHAALO Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2F)C2CC2)c(F)c1 ZINC000007858016 564124269 /nfs/dbraw/zinc/12/42/69/564124269.db2.gz ZPCLIAVOIFPCNC-UHFFFAOYSA-N 1 2 330.378 3.876 50 0 EHAALO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1ccccc1 ZINC000079923653 564138417 /nfs/dbraw/zinc/13/84/17/564138417.db2.gz CPEHGQVJWLSSKR-JLTOFOAXSA-N 1 2 349.434 3.578 50 0 EHAALO CC(C)=C[C@H]1[C@@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1(C)C ZINC000095348880 564139235 /nfs/dbraw/zinc/13/92/35/564139235.db2.gz JLHNZDRFFLLEAC-WMZOPIPTSA-N 1 2 327.472 3.536 50 0 EHAALO CCCCn1cc[nH+]c1-c1cccc(NC(=O)Cc2cc(C)n[nH]2)c1 ZINC000095418713 564139795 /nfs/dbraw/zinc/13/97/95/564139795.db2.gz GYFIOIMBRUSXTA-UHFFFAOYSA-N 1 2 337.427 3.563 50 0 EHAALO C[S@](=O)c1ccc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000095428939 564140293 /nfs/dbraw/zinc/14/02/93/564140293.db2.gz BLFTXZADJDTWTC-HSZRJFAPSA-N 1 2 345.855 3.875 50 0 EHAALO FC(F)(Cl)[C@@H](CCc1ccccc1)[NH2+]CCCn1cccn1 ZINC000095996868 564144273 /nfs/dbraw/zinc/14/42/73/564144273.db2.gz SSMDFBIKWIGYDE-OAHLLOKOSA-N 1 2 327.806 3.696 50 0 EHAALO O=C(N[C@@H](c1ccccc1)C1CCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000096404207 564147260 /nfs/dbraw/zinc/14/72/60/564147260.db2.gz MZICHPBSUDFHSF-MSOLQXFVSA-N 1 2 338.455 3.840 50 0 EHAALO COc1cccc(C([NH2+]Cc2ncc(C)o2)c2cccc(OC)c2)c1 ZINC000096476042 564148382 /nfs/dbraw/zinc/14/83/82/564148382.db2.gz LTGNHOWDDNPIOH-UHFFFAOYSA-N 1 2 338.407 3.879 50 0 EHAALO O=C(Nc1ccc(-c2ccccc2)nn1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000096483208 564148639 /nfs/dbraw/zinc/14/86/39/564148639.db2.gz HOYGJQOEUMPINF-MRXNPFEDSA-N 1 2 348.410 3.626 50 0 EHAALO C[N@H+](Cc1csc(-c2ccco2)n1)Cc1ccc2c(c1)OCCO2 ZINC000055472368 564150035 /nfs/dbraw/zinc/15/00/35/564150035.db2.gz IRYVYXRVNZXOLH-UHFFFAOYSA-N 1 2 342.420 3.806 50 0 EHAALO C[N@@H+](Cc1csc(-c2ccco2)n1)Cc1ccc2c(c1)OCCO2 ZINC000055472368 564150036 /nfs/dbraw/zinc/15/00/36/564150036.db2.gz IRYVYXRVNZXOLH-UHFFFAOYSA-N 1 2 342.420 3.806 50 0 EHAALO Cc1ccsc1CN(C(=O)c1ccnc(-n2cc[nH+]c2)c1)C(C)C ZINC000057272122 564153433 /nfs/dbraw/zinc/15/34/33/564153433.db2.gz WVBFFXIXLVEDJK-UHFFFAOYSA-N 1 2 340.452 3.688 50 0 EHAALO COc1ccccc1/C=C1/c2ccc(Cl)cc2N(C[NH+](C)C)C1=O ZINC000057405772 564153967 /nfs/dbraw/zinc/15/39/67/564153967.db2.gz OXPXSPCQAHORII-YBEGLDIGSA-N 1 2 342.826 3.755 50 0 EHAALO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cn2c(n1)nc(C)cc2C ZINC000067446211 564165897 /nfs/dbraw/zinc/16/58/97/564165897.db2.gz GMJIJYPXYDEXGE-INIZCTEOSA-N 1 2 326.469 3.917 50 0 EHAALO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cn2c(n1)nc(C)cc2C ZINC000067446211 564165898 /nfs/dbraw/zinc/16/58/98/564165898.db2.gz GMJIJYPXYDEXGE-INIZCTEOSA-N 1 2 326.469 3.917 50 0 EHAALO O=C(Cc1cccc(O)c1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000069390595 564169119 /nfs/dbraw/zinc/16/91/19/564169119.db2.gz TVTSSCMYSABQRF-UHFFFAOYSA-N 1 2 347.418 3.773 50 0 EHAALO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069660427 564171317 /nfs/dbraw/zinc/17/13/17/564171317.db2.gz RBZSAFGEWHPXQJ-ZDUSSCGKSA-N 1 2 338.238 3.596 50 0 EHAALO Cc1c2ccccc2oc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000009512963 564173952 /nfs/dbraw/zinc/17/39/52/564173952.db2.gz TUWDQRIRZRXRLQ-SFHVURJKSA-N 1 2 345.402 3.994 50 0 EHAALO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)N1CCC1 ZINC000071803490 564175528 /nfs/dbraw/zinc/17/55/28/564175528.db2.gz RGYGCYBIOQGKKQ-UHFFFAOYSA-N 1 2 346.434 3.514 50 0 EHAALO C[C@H](C(=O)Nc1cccc(OCCn2cc[nH+]c2)c1)c1ccsc1 ZINC000078078662 564176929 /nfs/dbraw/zinc/17/69/29/564176929.db2.gz JZVLIIYURSMUFF-AWEZNQCLSA-N 1 2 341.436 3.766 50 0 EHAALO C[C@H](c1cccc(F)c1)[NH+]1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000069370529 568423241 /nfs/dbraw/zinc/42/32/41/568423241.db2.gz FWHLTXNAXMNDJD-KGLIPLIRSA-N 1 2 344.434 3.526 50 0 EHAALO C[N@@H+]1CCO[C@H](c2nnc(-c3sc4ccccc4c3Cl)o2)C1 ZINC000521393863 1030600060 /nfs/dbraw/zinc/60/00/60/1030600060.db2.gz MDCBVTKMSGTLQD-JTQLQIEISA-N 1 2 335.816 3.608 50 0 EHAALO C[N@H+]1CCO[C@H](c2nnc(-c3sc4ccccc4c3Cl)o2)C1 ZINC000521393863 1030600071 /nfs/dbraw/zinc/60/00/71/1030600071.db2.gz MDCBVTKMSGTLQD-JTQLQIEISA-N 1 2 335.816 3.608 50 0 EHAALO CC(C)c1cc(NC2CCN(c3nccs3)CC2)nc(C(C)C)[nH+]1 ZINC000329295194 1038608017 /nfs/dbraw/zinc/60/80/17/1038608017.db2.gz JXEWDRXPMOCBFW-UHFFFAOYSA-N 1 2 345.516 3.683 50 0 EHAALO CCn1ccnc1C[NH2+]Cc1cccnc1Oc1ccc(F)cc1F ZINC000011664086 1128854959 /nfs/dbraw/zinc/85/49/59/1128854959.db2.gz PCVKZVGYJLVIGJ-UHFFFAOYSA-N 1 2 344.365 3.658 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1C[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000575547650 1131572719 /nfs/dbraw/zinc/57/27/19/1131572719.db2.gz OUNOWYSUAVQBAU-KRWDZBQOSA-N 1 2 325.456 3.753 50 0 EHAALO Fc1cccc(C[N@@H+](Cc2cn3ccccc3n2)C[C@@H]2CCCO2)c1 ZINC000065353158 1131936049 /nfs/dbraw/zinc/93/60/49/1131936049.db2.gz ZTCOIOFSRDEDJR-IBGZPJMESA-N 1 2 339.414 3.655 50 0 EHAALO Fc1cccc(C[N@H+](Cc2cn3ccccc3n2)C[C@@H]2CCCO2)c1 ZINC000065353158 1131936056 /nfs/dbraw/zinc/93/60/56/1131936056.db2.gz ZTCOIOFSRDEDJR-IBGZPJMESA-N 1 2 339.414 3.655 50 0 EHAALO CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)cs1 ZINC000012382860 201842366 /nfs/dbraw/zinc/84/23/66/201842366.db2.gz HYTZPTXBADFEEJ-UHFFFAOYSA-N 1 2 346.471 3.969 50 0 EHAALO CCc1cccc(OCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000012560278 201854391 /nfs/dbraw/zinc/85/43/91/201854391.db2.gz QFZASGNPBGRFNJ-MRXNPFEDSA-N 1 2 349.434 3.691 50 0 EHAALO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000012902301 201873579 /nfs/dbraw/zinc/87/35/79/201873579.db2.gz NZCOLBZLEFWKBO-NSHDSACASA-N 1 2 329.271 3.873 50 0 EHAALO C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000012902301 201873583 /nfs/dbraw/zinc/87/35/83/201873583.db2.gz NZCOLBZLEFWKBO-NSHDSACASA-N 1 2 329.271 3.873 50 0 EHAALO CC(C)c1ccc(C(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000067206083 215123669 /nfs/dbraw/zinc/12/36/69/215123669.db2.gz WMHYGTAAXFFKIL-UHFFFAOYSA-N 1 2 340.442 3.954 50 0 EHAALO COCc1noc(C[N@@H+]2CCCCC[C@H]2/C=C/c2cccs2)n1 ZINC000181959206 234394108 /nfs/dbraw/zinc/39/41/08/234394108.db2.gz YRKOYEQLMBSWOG-VFNNOXKTSA-N 1 2 333.457 3.736 50 0 EHAALO COCc1noc(C[N@H+]2CCCCC[C@H]2/C=C/c2cccs2)n1 ZINC000181959206 234394113 /nfs/dbraw/zinc/39/41/13/234394113.db2.gz YRKOYEQLMBSWOG-VFNNOXKTSA-N 1 2 333.457 3.736 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000018235857 201996162 /nfs/dbraw/zinc/99/61/62/201996162.db2.gz LVOVGOAPBULDLQ-MRXNPFEDSA-N 1 2 343.789 3.732 50 0 EHAALO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2cc(OC)cc(OC)c2)no1 ZINC000021720460 202069798 /nfs/dbraw/zinc/06/97/98/202069798.db2.gz XNPKDBJPORMCHV-IBGZPJMESA-N 1 2 330.428 3.981 50 0 EHAALO CCCc1cc([C@@H]2CCC[N@H+]2Cc2cc(OC)cc(OC)c2)no1 ZINC000021720460 202069799 /nfs/dbraw/zinc/06/97/99/202069799.db2.gz XNPKDBJPORMCHV-IBGZPJMESA-N 1 2 330.428 3.981 50 0 EHAALO CCCCc1ncc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)[nH]1 ZINC000023619559 202106013 /nfs/dbraw/zinc/10/60/13/202106013.db2.gz IBQYWMHVVKLVOE-KRWDZBQOSA-N 1 2 330.451 3.968 50 0 EHAALO CCCCc1ncc(C[N@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)[nH]1 ZINC000023619559 202106016 /nfs/dbraw/zinc/10/60/16/202106016.db2.gz IBQYWMHVVKLVOE-KRWDZBQOSA-N 1 2 330.451 3.968 50 0 EHAALO COc1ccc(CCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000023563390 202106030 /nfs/dbraw/zinc/10/60/30/202106030.db2.gz MCZMTOITGIRIJW-INIZCTEOSA-N 1 2 349.434 3.691 50 0 EHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(C(C)C)no2)c1 ZINC000027280473 202152353 /nfs/dbraw/zinc/15/23/53/202152353.db2.gz HYZJAUMYFLWTQH-HNNXBMFYSA-N 1 2 331.416 3.547 50 0 EHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(C(C)C)no2)c1 ZINC000027280473 202152356 /nfs/dbraw/zinc/15/23/56/202152356.db2.gz HYZJAUMYFLWTQH-HNNXBMFYSA-N 1 2 331.416 3.547 50 0 EHAALO Cc1ccc(-c2cc(CSc3[nH+]cnc4c3cnn4C)on2)cc1 ZINC000032331071 202223779 /nfs/dbraw/zinc/22/37/79/202223779.db2.gz RMDMTVDHYVVFEH-UHFFFAOYSA-N 1 2 337.408 3.619 50 0 EHAALO CCOc1ccc(NC(=O)NCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000032951061 202244038 /nfs/dbraw/zinc/24/40/38/202244038.db2.gz IQSJEURZJURHRF-UHFFFAOYSA-N 1 2 338.411 3.565 50 0 EHAALO Cc1c2ccccc2sc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069917457 202297482 /nfs/dbraw/zinc/29/74/82/202297482.db2.gz WUGGLYAOFIQEHX-AWEZNQCLSA-N 1 2 325.437 3.884 50 0 EHAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)cc1OC ZINC000036395388 202324667 /nfs/dbraw/zinc/32/46/67/202324667.db2.gz DDZAZZLRWCJPIQ-CQSZACIVSA-N 1 2 345.443 3.721 50 0 EHAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)cc1OC ZINC000036395388 202324670 /nfs/dbraw/zinc/32/46/70/202324670.db2.gz DDZAZZLRWCJPIQ-CQSZACIVSA-N 1 2 345.443 3.721 50 0 EHAALO COc1ccc(-c2nc(C[N@H+](Cc3ccccc3)C3CC3)no2)cc1 ZINC000036396186 202325190 /nfs/dbraw/zinc/32/51/90/202325190.db2.gz HZUFQEROGWHCOL-UHFFFAOYSA-N 1 2 335.407 3.910 50 0 EHAALO COc1ccc(-c2nc(C[N@@H+](Cc3ccccc3)C3CC3)no2)cc1 ZINC000036396186 202325193 /nfs/dbraw/zinc/32/51/93/202325193.db2.gz HZUFQEROGWHCOL-UHFFFAOYSA-N 1 2 335.407 3.910 50 0 EHAALO CCCNC(=O)Cn1c(Cc2ccccc2)[nH+]c2cc(C)c(C)cc21 ZINC000037398483 202339730 /nfs/dbraw/zinc/33/97/30/202339730.db2.gz PBVMOUPKYZSJNB-UHFFFAOYSA-N 1 2 335.451 3.770 50 0 EHAALO Cc1nnc(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)o1 ZINC000191464200 239128679 /nfs/dbraw/zinc/12/86/79/239128679.db2.gz ZFBNVHMMNCJRDW-UHFFFAOYSA-N 1 2 336.233 3.553 50 0 EHAALO Cc1nnc(C[N@H+](Cc2cccc(Br)c2)CC2CC2)o1 ZINC000191464200 239128685 /nfs/dbraw/zinc/12/86/85/239128685.db2.gz ZFBNVHMMNCJRDW-UHFFFAOYSA-N 1 2 336.233 3.553 50 0 EHAALO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nncn1C(C)(C)C ZINC000191562647 239186525 /nfs/dbraw/zinc/18/65/25/239186525.db2.gz NBOVAQOJOPPTIA-UHFFFAOYSA-N 1 2 327.457 3.820 50 0 EHAALO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3s2)nn1 ZINC000330032754 201363175 /nfs/dbraw/zinc/36/31/75/201363175.db2.gz RMODAFGBTBWIIW-HNNXBMFYSA-N 1 2 340.452 3.822 50 0 EHAALO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3s2)nn1 ZINC000330032754 201363178 /nfs/dbraw/zinc/36/31/78/201363178.db2.gz RMODAFGBTBWIIW-HNNXBMFYSA-N 1 2 340.452 3.822 50 0 EHAALO Cc1ccc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1C ZINC000057524555 202722770 /nfs/dbraw/zinc/72/27/70/202722770.db2.gz AMYFRPBDIHEYDM-UHFFFAOYSA-N 1 2 341.484 3.846 50 0 EHAALO C[N@H+](Cc1cc(C2CC2)n[nH]1)Cc1cnc(C2CCCCC2)nc1 ZINC000215186849 241112663 /nfs/dbraw/zinc/11/26/63/241112663.db2.gz LOMMCKDRTDAOBN-UHFFFAOYSA-N 1 2 325.460 3.757 50 0 EHAALO C[N@@H+](Cc1cc(C2CC2)n[nH]1)Cc1cnc(C2CCCCC2)nc1 ZINC000215186849 241112671 /nfs/dbraw/zinc/11/26/71/241112671.db2.gz LOMMCKDRTDAOBN-UHFFFAOYSA-N 1 2 325.460 3.757 50 0 EHAALO CN(C(=O)c1cccc(-c2[nH]cc[nH+]2)c1)[C@H](c1ccccn1)C1CC1 ZINC000216527483 241198397 /nfs/dbraw/zinc/19/83/97/241198397.db2.gz ANGMOLYBMBMQSX-SFHVURJKSA-N 1 2 332.407 3.695 50 0 EHAALO CC[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc(-c2ccco2)nc1 ZINC000215365365 241124064 /nfs/dbraw/zinc/12/40/64/241124064.db2.gz WQMBZRBFGCJQBB-UHFFFAOYSA-N 1 2 325.416 3.536 50 0 EHAALO CC[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc(-c2ccco2)nc1 ZINC000215365365 241124070 /nfs/dbraw/zinc/12/40/70/241124070.db2.gz WQMBZRBFGCJQBB-UHFFFAOYSA-N 1 2 325.416 3.536 50 0 EHAALO O=C(CCn1cc[nH+]c1)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000069559739 203018411 /nfs/dbraw/zinc/01/84/11/203018411.db2.gz ANPOYMFCQMTCND-KRWDZBQOSA-N 1 2 345.855 3.894 50 0 EHAALO Cc1cc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c(C)c[nH+]1 ZINC000253417195 243940491 /nfs/dbraw/zinc/94/04/91/243940491.db2.gz CRNYXVXPQUTRTI-HKUYNNGSSA-N 1 2 339.439 3.818 50 0 EHAALO CCCn1cnnc1Cn1cc[nH+]c1-c1ccc(OC)c2ccccc12 ZINC000071707839 203104188 /nfs/dbraw/zinc/10/41/88/203104188.db2.gz JSCCEJURQILLGE-UHFFFAOYSA-N 1 2 347.422 3.762 50 0 EHAALO COc1cccc(C[C@@H]2C[N@H+](Cc3cc4ccccc4[nH]3)CCO2)c1 ZINC000071738594 203104703 /nfs/dbraw/zinc/10/47/03/203104703.db2.gz NFUDRNFTMUVSSN-HXUWFJFHSA-N 1 2 336.435 3.620 50 0 EHAALO COc1cccc(C[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]3)CCO2)c1 ZINC000071738594 203104706 /nfs/dbraw/zinc/10/47/06/203104706.db2.gz NFUDRNFTMUVSSN-HXUWFJFHSA-N 1 2 336.435 3.620 50 0 EHAALO Cc1sc2ccccc2c1-c1[nH+]ccn1CCN1CCOC1=O ZINC000071751925 203107599 /nfs/dbraw/zinc/10/75/99/203107599.db2.gz OXRIBJHBOSVUGD-UHFFFAOYSA-N 1 2 327.409 3.525 50 0 EHAALO Cc1ccc(-c2ccnc(N[C@@H](c3[nH+]ccn3C)C(C)C)n2)c(C)n1 ZINC000071754130 203108112 /nfs/dbraw/zinc/10/81/12/203108112.db2.gz IXKNTTLSPMKKID-QGZVFWFLSA-N 1 2 336.443 3.698 50 0 EHAALO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@H]1c1ccccc1 ZINC000071820853 203118176 /nfs/dbraw/zinc/11/81/76/203118176.db2.gz BVEALGIQQLBDJA-OALUTQOASA-N 1 2 335.451 3.662 50 0 EHAALO Cc1ccc(F)cc1NC(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000072159453 203176667 /nfs/dbraw/zinc/17/66/67/203176667.db2.gz BFVVDHZIDCYPFY-MRXNPFEDSA-N 1 2 330.407 3.807 50 0 EHAALO C[C@@H]1C[NH+](CCOc2ccc(Br)cc2Cl)C[C@@H](C)O1 ZINC000020166938 212108285 /nfs/dbraw/zinc/10/82/85/212108285.db2.gz BONSDELIHFKTAA-GHMZBOCLSA-N 1 2 348.668 3.591 50 0 EHAALO COc1ccc(NC(C)=O)cc1-n1cc[nH+]c1[C@H](C)c1ccccc1 ZINC000072411920 203217661 /nfs/dbraw/zinc/21/76/61/203217661.db2.gz LOWFROHZVJBSOY-CQSZACIVSA-N 1 2 335.407 3.991 50 0 EHAALO COc1c(C)c[nH+]c(CNc2cc(C(C)C)nc3cc(C)nn32)c1C ZINC000072423644 203219928 /nfs/dbraw/zinc/21/99/28/203219928.db2.gz BCCVXJZLODAVAM-UHFFFAOYSA-N 1 2 339.443 3.794 50 0 EHAALO Cc1nc([C@H](C)[N@H+](C)Cc2cc(C(N)=O)oc2C(C)(C)C)c(C)s1 ZINC000077302400 203378088 /nfs/dbraw/zinc/37/80/88/203378088.db2.gz AIEOPUWVOSDIEX-JTQLQIEISA-N 1 2 349.500 3.942 50 0 EHAALO Cc1nc([C@H](C)[N@@H+](C)Cc2cc(C(N)=O)oc2C(C)(C)C)c(C)s1 ZINC000077302400 203378091 /nfs/dbraw/zinc/37/80/91/203378091.db2.gz AIEOPUWVOSDIEX-JTQLQIEISA-N 1 2 349.500 3.942 50 0 EHAALO c1sc(Nc2ccccc2)nc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000107591418 204241420 /nfs/dbraw/zinc/24/14/20/204241420.db2.gz ARCCHWHPUYVERD-HZPDHXFCSA-N 1 2 347.509 3.593 50 0 EHAALO c1sc(Nc2ccccc2)nc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000107591418 204241425 /nfs/dbraw/zinc/24/14/25/204241425.db2.gz ARCCHWHPUYVERD-HZPDHXFCSA-N 1 2 347.509 3.593 50 0 EHAALO Cc1nnc(-c2cccc(C(=O)Oc3ccc(-c4[nH]cc[nH+]4)cc3)c2)o1 ZINC000095415944 218354216 /nfs/dbraw/zinc/35/42/16/218354216.db2.gz VHQXRJCBDJYVTD-UHFFFAOYSA-N 1 2 346.346 3.654 50 0 EHAALO Cn1cc[nH+]c1CNc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000095447273 218390898 /nfs/dbraw/zinc/39/08/98/218390898.db2.gz FIZJXZFLNPDPRL-UHFFFAOYSA-N 1 2 330.407 3.690 50 0 EHAALO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000095969201 218474335 /nfs/dbraw/zinc/47/43/35/218474335.db2.gz RZEBTDOGRXEGLG-SMDDNHRTSA-N 1 2 327.457 3.636 50 0 EHAALO Fc1ccccc1N1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000055544083 132195897 /nfs/dbraw/zinc/19/58/97/132195897.db2.gz GBXWUGINWBNQBK-UHFFFAOYSA-N 1 2 349.247 3.910 50 0 EHAALO Cc1ccccc1-c1noc(C[NH+]2CCN(c3ccccc3C)CC2)n1 ZINC000057350651 132199723 /nfs/dbraw/zinc/19/97/23/132199723.db2.gz XOAJHFVFDUEPRR-UHFFFAOYSA-N 1 2 348.450 3.676 50 0 EHAALO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057442346 132200851 /nfs/dbraw/zinc/20/08/51/132200851.db2.gz GHWUZIBTNMWIRY-AWEZNQCLSA-N 1 2 340.452 3.681 50 0 EHAALO Cc1ccc(Cn2ncc3c2nc[nH+]c3N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000000521829 563340615 /nfs/dbraw/zinc/34/06/15/563340615.db2.gz KQUHRRWPAODPTP-HOTGVXAUSA-N 1 2 335.455 3.665 50 0 EHAALO CCOC(=O)C[C@@H]1C(=O)C[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000001319372 563383342 /nfs/dbraw/zinc/38/33/42/563383342.db2.gz HRWUEUOAAKJSEV-OPYAIIAOSA-N 1 2 337.419 3.601 50 0 EHAALO c1ccc(CCc2noc(C[NH+]3CCC(c4ccncc4)CC3)n2)cc1 ZINC000012303868 563657740 /nfs/dbraw/zinc/65/77/40/563657740.db2.gz VLJUHTKGOZOHAH-UHFFFAOYSA-N 1 2 348.450 3.629 50 0 EHAALO CCCc1ccc2oc(C(=O)N(C)Cc3[nH+]ccn3C)c(C)c2c1 ZINC000012444926 563661112 /nfs/dbraw/zinc/66/11/12/563661112.db2.gz DKZNXIJUVHKJFZ-UHFFFAOYSA-N 1 2 325.412 3.699 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2F)c1C ZINC000012792350 563671901 /nfs/dbraw/zinc/67/19/01/563671901.db2.gz UNMZYVSHBSISAM-AAEUAGOBSA-N 1 2 330.403 3.895 50 0 EHAALO CC1CC[NH+](Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)CC1 ZINC000013071525 563687195 /nfs/dbraw/zinc/68/71/95/563687195.db2.gz JRAWZUWLOHMYKI-UHFFFAOYSA-N 1 2 336.892 3.961 50 0 EHAALO Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)s1 ZINC000014167537 563746283 /nfs/dbraw/zinc/74/62/83/563746283.db2.gz QSSGHOODUIEGNA-LLVKDONJSA-N 1 2 335.498 3.997 50 0 EHAALO Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)s1 ZINC000014167537 563746287 /nfs/dbraw/zinc/74/62/87/563746287.db2.gz QSSGHOODUIEGNA-LLVKDONJSA-N 1 2 335.498 3.997 50 0 EHAALO C[N@@H+](Cc1nc2ccccc2s1)C[C@H]1COc2ccccc2O1 ZINC000015447074 563784650 /nfs/dbraw/zinc/78/46/50/563784650.db2.gz CDYRZUOGDWSMDX-ZDUSSCGKSA-N 1 2 326.421 3.568 50 0 EHAALO C[N@H+](Cc1nc2ccccc2s1)C[C@H]1COc2ccccc2O1 ZINC000015447074 563784654 /nfs/dbraw/zinc/78/46/54/563784654.db2.gz CDYRZUOGDWSMDX-ZDUSSCGKSA-N 1 2 326.421 3.568 50 0 EHAALO O=C(Cn1cc[nH+]c1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000010809739 563861886 /nfs/dbraw/zinc/86/18/86/563861886.db2.gz MHAKMDLMESCWGA-QGZVFWFLSA-N 1 2 335.432 3.763 50 0 EHAALO Cc1oc(C)c(C(=O)Nc2ccc3[nH+]ccn3c2)c1Br ZINC000072283506 563906001 /nfs/dbraw/zinc/90/60/01/563906001.db2.gz SCIRXTQQGDDOLL-UHFFFAOYSA-N 1 2 334.173 3.559 50 0 EHAALO C[C@@H](NC(=O)CCOCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000058153631 563937993 /nfs/dbraw/zinc/93/79/93/563937993.db2.gz VJVQMOZPDZVMNZ-QGZVFWFLSA-N 1 2 349.434 3.656 50 0 EHAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1c1ccc(O)cc1 ZINC000058223371 563940267 /nfs/dbraw/zinc/94/02/67/563940267.db2.gz RYCZPVGXCAGKSI-SFHVURJKSA-N 1 2 349.434 3.668 50 0 EHAALO Cc1ncc([C@@H](C)[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)s1 ZINC000096485582 563955485 /nfs/dbraw/zinc/95/54/85/563955485.db2.gz QQQSWVGUSLEKAY-KDOFPFPSSA-N 1 2 343.496 3.856 50 0 EHAALO Cc1cc(NCc2cc(-c3cccnc3)no2)nc(-c2cccnc2)[nH+]1 ZINC000065458037 563961101 /nfs/dbraw/zinc/96/11/01/563961101.db2.gz YSMIJEDCUZPYOS-UHFFFAOYSA-N 1 2 344.378 3.509 50 0 EHAALO CC/C=C/CC(=O)NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000067965216 563963161 /nfs/dbraw/zinc/96/31/61/563963161.db2.gz VTRIJOZSWXCJPC-ONEGZZNKSA-N 1 2 335.451 3.617 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cccc(C)c2C)C1 ZINC000091625626 563975612 /nfs/dbraw/zinc/97/56/12/563975612.db2.gz RIKNBHQUMBNOEX-INIZCTEOSA-N 1 2 326.444 3.931 50 0 EHAALO O=c1cc(C[N@@H+]2Cc3ccccc3[C@H](O)C2)[nH]c2c(Cl)cccc12 ZINC000092046521 563976019 /nfs/dbraw/zinc/97/60/19/563976019.db2.gz RBVWANAPRJWPMA-GOSISDBHSA-N 1 2 340.810 3.643 50 0 EHAALO O=c1cc(C[N@H+]2Cc3ccccc3[C@H](O)C2)[nH]c2c(Cl)cccc12 ZINC000092046521 563976020 /nfs/dbraw/zinc/97/60/20/563976020.db2.gz RBVWANAPRJWPMA-GOSISDBHSA-N 1 2 340.810 3.643 50 0 EHAALO C[C@H](O)c1cccc(N2CCC(Oc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000095510749 563977248 /nfs/dbraw/zinc/97/72/48/563977248.db2.gz GIRNFYUXBMVXON-ZDUSSCGKSA-N 1 2 332.831 3.836 50 0 EHAALO O=C1C[C@H](Cc2ccccc2)CN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000095527863 563977487 /nfs/dbraw/zinc/97/74/87/563977487.db2.gz ADCKKDNBSUAWLR-FQEVSTJZSA-N 1 2 345.446 3.523 50 0 EHAALO COc1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)C)cc1Cl ZINC000097743219 563981827 /nfs/dbraw/zinc/98/18/27/563981827.db2.gz UVHLCIAOZCEGPA-CQSZACIVSA-N 1 2 336.823 3.601 50 0 EHAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1cccc(Cl)c1 ZINC000000243117 563989196 /nfs/dbraw/zinc/98/91/96/563989196.db2.gz QHFSPAIIKVUVEU-CQSZACIVSA-N 1 2 330.815 3.692 50 0 EHAALO Cc1nc(NCc2ccc(Cl)c(Cl)c2)cc([C@H]2CCOC2)[nH+]1 ZINC000426552372 563996334 /nfs/dbraw/zinc/99/63/34/563996334.db2.gz SFTFGHARTRHZIB-LBPRGKRZSA-N 1 2 338.238 3.630 50 0 EHAALO O=C(c1cc(Cl)ccc1Cl)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000062017522 564002758 /nfs/dbraw/zinc/00/27/58/564002758.db2.gz UMFNDUPYWVOQBC-UHFFFAOYSA-N 1 2 338.238 3.742 50 0 EHAALO Cc1cc(N2CCO[C@@H](c3ccc(F)cc3F)C2)nc(C2CC2)[nH+]1 ZINC000189269461 564015049 /nfs/dbraw/zinc/01/50/49/564015049.db2.gz HFHVHIONUFRDSP-MRXNPFEDSA-N 1 2 331.366 3.519 50 0 EHAALO C[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1ccccc1 ZINC000047579055 564026514 /nfs/dbraw/zinc/02/65/14/564026514.db2.gz ZRFJJYSLBWEJQK-GFCCVEGCSA-N 1 2 328.803 3.548 50 0 EHAALO CC(C)(C)c1nnc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)o1 ZINC000044914530 564027712 /nfs/dbraw/zinc/02/77/12/564027712.db2.gz QHXXWYRDITYEEX-ZDUSSCGKSA-N 1 2 335.473 3.610 50 0 EHAALO CC(C)(C)c1nnc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)o1 ZINC000044914530 564027713 /nfs/dbraw/zinc/02/77/13/564027713.db2.gz QHXXWYRDITYEEX-ZDUSSCGKSA-N 1 2 335.473 3.610 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccsc1)c1ccc(Cl)cc1 ZINC000048324518 564030951 /nfs/dbraw/zinc/03/09/51/564030951.db2.gz DQJHUKHJIILXEK-MRXNPFEDSA-N 1 2 345.855 3.583 50 0 EHAALO CC(C)n1ccc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)n1 ZINC000239352119 564051619 /nfs/dbraw/zinc/05/16/19/564051619.db2.gz ABCNLPOWSXEZBN-SZMVWBNQSA-N 1 2 347.503 3.939 50 0 EHAALO CC(C)n1ccc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)n1 ZINC000239352119 564051620 /nfs/dbraw/zinc/05/16/20/564051620.db2.gz ABCNLPOWSXEZBN-SZMVWBNQSA-N 1 2 347.503 3.939 50 0 EHAALO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc(-c2ccc(F)cc2)o1 ZINC000012507548 564058030 /nfs/dbraw/zinc/05/80/30/564058030.db2.gz NUNNVSJWFOBVKP-UHFFFAOYSA-N 1 2 349.365 3.706 50 0 EHAALO CC(C)[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1F ZINC000184002893 564058108 /nfs/dbraw/zinc/05/81/08/564058108.db2.gz KAELZGKMATYBOS-SJKOYZFVSA-N 1 2 349.837 3.752 50 0 EHAALO Cc1cc(C)c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)o1 ZINC000087258917 564068327 /nfs/dbraw/zinc/06/83/27/564068327.db2.gz XEOUULAPIQUZHT-ROUUACIJSA-N 1 2 335.407 3.752 50 0 EHAALO O=C(C[NH+]1Cc2ccccc2C1)Nc1cccc(COCC2CC2)c1 ZINC000084582089 564068839 /nfs/dbraw/zinc/06/88/39/564068839.db2.gz HJNTXICMKYNUPL-UHFFFAOYSA-N 1 2 336.435 3.568 50 0 EHAALO CCN(C)c1ccccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000084760950 564070101 /nfs/dbraw/zinc/07/01/01/564070101.db2.gz TWURFMMTTFQQII-MRXNPFEDSA-N 1 2 327.432 3.625 50 0 EHAALO CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000074265478 564073518 /nfs/dbraw/zinc/07/35/18/564073518.db2.gz QYMAHQVWZVRHIC-IEBWSBKVSA-N 1 2 325.456 3.706 50 0 EHAALO O=C(NCCCn1cc[nH+]c1-c1ccccc1)NCc1cccs1 ZINC000085555145 564073910 /nfs/dbraw/zinc/07/39/10/564073910.db2.gz UNFHJDGDBIYEFE-UHFFFAOYSA-N 1 2 340.452 3.501 50 0 EHAALO O=C(NC1(Cc2ccccc2)CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000185844837 564074892 /nfs/dbraw/zinc/07/48/92/564074892.db2.gz VBJKWVRENOAHLD-SFHVURJKSA-N 1 2 337.467 3.507 50 0 EHAALO O=C(Nc1ccc2[nH]c(CCc3ccccc3)[nH+]c2c1)c1ccccn1 ZINC000015863858 564077157 /nfs/dbraw/zinc/07/71/57/564077157.db2.gz CXHVENNLUUTXCJ-UHFFFAOYSA-N 1 2 342.402 3.995 50 0 EHAALO Cc1[nH+]c(-c2cn([C@@H](c3cc(C)ccn3)C3CC3)nn2)c2ccccn12 ZINC000091504998 564087732 /nfs/dbraw/zinc/08/77/32/564087732.db2.gz LCCZVIKOBSFDDY-HXUWFJFHSA-N 1 2 344.422 3.604 50 0 EHAALO Cc1cc(C(=O)NCc2c[nH+]cn2C2CC2)c2ccc(Cl)cc2n1 ZINC000426689236 564094361 /nfs/dbraw/zinc/09/43/61/564094361.db2.gz MLHVIKBZYLZDHV-UHFFFAOYSA-N 1 2 340.814 3.658 50 0 EHAALO CC(C)C(=O)N(Cc1[nH+]ccn1Cc1ccccc1Cl)C1CC1 ZINC000006690205 564095821 /nfs/dbraw/zinc/09/58/21/564095821.db2.gz SSIMUIRCNGCCAN-UHFFFAOYSA-N 1 2 331.847 3.732 50 0 EHAALO O=C(C1CC1)N(Cc1[nH+]ccn1Cc1cccc(Cl)c1)CC1CC1 ZINC000006690056 564095846 /nfs/dbraw/zinc/09/58/46/564095846.db2.gz YVMRZUFRNJVTKH-UHFFFAOYSA-N 1 2 343.858 3.733 50 0 EHAALO COc1cc(Cl)c(C)cc1NC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000065185593 564102540 /nfs/dbraw/zinc/10/25/40/564102540.db2.gz JFHLFZGBGXEMOI-UHFFFAOYSA-N 1 2 347.777 3.625 50 0 EHAALO O=C(CCc1cc[nH+]c(N2CCCC2)c1)NCc1ccccc1Cl ZINC000065269674 564103777 /nfs/dbraw/zinc/10/37/77/564103777.db2.gz IFSHIESEXAWYGR-UHFFFAOYSA-N 1 2 343.858 3.584 50 0 EHAALO Fc1ccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000065286110 564104404 /nfs/dbraw/zinc/10/44/04/564104404.db2.gz MAFWBNZTPYLKGY-KRWDZBQOSA-N 1 2 338.386 3.998 50 0 EHAALO Fc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000065286110 564104403 /nfs/dbraw/zinc/10/44/03/564104403.db2.gz MAFWBNZTPYLKGY-KRWDZBQOSA-N 1 2 338.386 3.998 50 0 EHAALO CC(C)c1nc(C[NH2+]Cc2cccc(N3CCCC3=O)c2)cs1 ZINC000065474146 564106216 /nfs/dbraw/zinc/10/62/16/564106216.db2.gz CAYYMOMRVMFCIO-UHFFFAOYSA-N 1 2 329.469 3.683 50 0 EHAALO CC[C@@H](C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccc(OC)cc1 ZINC000195154447 564122889 /nfs/dbraw/zinc/12/28/89/564122889.db2.gz MPZNDLGIVXDJMK-IAGOWNOFSA-N 1 2 327.428 3.666 50 0 EHAALO CSc1cccc(F)c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000253397116 564130566 /nfs/dbraw/zinc/13/05/66/564130566.db2.gz FTHUGAUPZVKTCA-UHFFFAOYSA-N 1 2 327.384 3.986 50 0 EHAALO Cc1ccc(CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C(C)C)s1 ZINC000057444605 564133329 /nfs/dbraw/zinc/13/33/29/564133329.db2.gz BNVKSCWHDAMAPY-UHFFFAOYSA-N 1 2 340.452 3.688 50 0 EHAALO Cc1cc(-c2cccc(F)c2)nnc1NCCc1cn2ccccc2[nH+]1 ZINC000078903734 564137350 /nfs/dbraw/zinc/13/73/50/564137350.db2.gz HHDPJKULGOYWCG-UHFFFAOYSA-N 1 2 347.397 3.893 50 0 EHAALO CC(C)n1ccc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc21 ZINC000095477110 564141500 /nfs/dbraw/zinc/14/15/00/564141500.db2.gz UQXQTOCRVZTWBV-UHFFFAOYSA-N 1 2 348.450 3.580 50 0 EHAALO O=C(Nc1ccc(-c2ccccc2)cn1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000095954361 564142449 /nfs/dbraw/zinc/14/24/49/564142449.db2.gz XBNGPNBWRWGQPX-UHFFFAOYSA-N 1 2 341.374 3.582 50 0 EHAALO O=C(Nc1ccc(Cl)c(F)c1)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000095957341 564142602 /nfs/dbraw/zinc/14/26/02/564142602.db2.gz HKHKGNOVDCVAFQ-QGZVFWFLSA-N 1 2 347.821 3.867 50 0 EHAALO O=C(Nc1ccc(Cl)c(F)c1)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000095957341 564142603 /nfs/dbraw/zinc/14/26/03/564142603.db2.gz HKHKGNOVDCVAFQ-QGZVFWFLSA-N 1 2 347.821 3.867 50 0 EHAALO O=C(NC1CC1)[C@@H]([NH2+]Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000057568237 564155007 /nfs/dbraw/zinc/15/50/07/564155007.db2.gz AKSBADGIQJFEOY-KRWDZBQOSA-N 1 2 332.806 3.589 50 0 EHAALO C[C@@H](NC(=O)CCc1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008013591 564162144 /nfs/dbraw/zinc/16/21/44/564162144.db2.gz PXCOGWPPVCRMKI-CQSZACIVSA-N 1 2 325.437 3.744 50 0 EHAALO O=C(Nc1ccc(F)cc1OC(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000172728126 564167658 /nfs/dbraw/zinc/16/76/58/564167658.db2.gz MBZRNOQRTAGHDA-UHFFFAOYSA-N 1 2 347.296 3.865 50 0 EHAALO C[C@H]1CCc2sc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2C1 ZINC000069661909 564171301 /nfs/dbraw/zinc/17/13/01/564171301.db2.gz QAOYJRWAZPQTAM-DZGCQCFKSA-N 1 2 329.469 3.547 50 0 EHAALO O=C(c1cc2c(s1)CCCCC2)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069662096 564171322 /nfs/dbraw/zinc/17/13/22/564171322.db2.gz UFORHWSQJTYRHV-OAHLLOKOSA-N 1 2 329.469 3.691 50 0 EHAALO C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009516198 564173993 /nfs/dbraw/zinc/17/39/93/564173993.db2.gz UNWIFBBGZHSPMQ-AWEZNQCLSA-N 1 2 330.391 3.845 50 0 EHAALO Cc1[nH+]c2ccccc2n1CC(=O)NCc1ccc2ccccc2c1 ZINC000041703602 564174324 /nfs/dbraw/zinc/17/43/24/564174324.db2.gz TVNBUGZHQOSAOW-UHFFFAOYSA-N 1 2 329.403 3.814 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCCN(C(=O)c2cccn2C)C1 ZINC000257196411 1038559772 /nfs/dbraw/zinc/55/97/72/1038559772.db2.gz YEPMQZRSYGRRCE-GOSISDBHSA-N 1 2 348.450 3.674 50 0 EHAALO c1ccc2ncc(CNc3ccccc3C[NH+]3CCOCC3)cc2c1 ZINC000269328839 1127627113 /nfs/dbraw/zinc/62/71/13/1127627113.db2.gz VOMJETSPGPDKSF-UHFFFAOYSA-N 1 2 333.435 3.679 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1C1CN(C(=O)NC2CCCCC2)C1 ZINC000575548635 1131572671 /nfs/dbraw/zinc/57/26/71/1131572671.db2.gz BTPISSLVJGVFCY-UHFFFAOYSA-N 1 2 338.455 3.758 50 0 EHAALO FC(F)(F)c1ccc(OCC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000107299282 1139717224 /nfs/dbraw/zinc/71/72/24/1139717224.db2.gz ALLJBJJUZFWECF-CYBMUJFWSA-N 1 2 339.361 3.687 50 0 EHAALO FC(F)(F)c1ccc(OCC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000107299282 1139717226 /nfs/dbraw/zinc/71/72/26/1139717226.db2.gz ALLJBJJUZFWECF-CYBMUJFWSA-N 1 2 339.361 3.687 50 0 EHAALO COc1ccc(C[N@@H+]2CCc3[nH]nc(-c4ccccc4)c3C2)c(F)c1 ZINC000019228558 202000849 /nfs/dbraw/zinc/00/08/49/202000849.db2.gz OSXBMNDLNXRZEQ-UHFFFAOYSA-N 1 2 337.398 3.783 50 0 EHAALO COc1ccc(C[N@H+]2CCc3[nH]nc(-c4ccccc4)c3C2)c(F)c1 ZINC000019228558 202000851 /nfs/dbraw/zinc/00/08/51/202000851.db2.gz OSXBMNDLNXRZEQ-UHFFFAOYSA-N 1 2 337.398 3.783 50 0 EHAALO Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020418845 202041507 /nfs/dbraw/zinc/04/15/07/202041507.db2.gz QWVXASMFRNXLLS-UHFFFAOYSA-N 1 2 343.858 3.998 50 0 EHAALO Cc1ccn2cc(CNC(=O)c3ccccc3C(F)(F)F)[nH+]c2c1 ZINC000020485353 202045274 /nfs/dbraw/zinc/04/52/74/202045274.db2.gz MJXJGHPDGJEASG-UHFFFAOYSA-N 1 2 333.313 3.592 50 0 EHAALO Cc1cc(C)cc(NC(=S)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000022272015 202082161 /nfs/dbraw/zinc/08/21/61/202082161.db2.gz SHJRWWOQOUOEQB-UHFFFAOYSA-N 1 2 345.537 3.880 50 0 EHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000023701922 202107702 /nfs/dbraw/zinc/10/77/02/202107702.db2.gz BSGUQIGDNKSJLT-LBPRGKRZSA-N 1 2 327.815 3.770 50 0 EHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000023701922 202107704 /nfs/dbraw/zinc/10/77/04/202107704.db2.gz BSGUQIGDNKSJLT-LBPRGKRZSA-N 1 2 327.815 3.770 50 0 EHAALO CN(C)C(=O)[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000026879389 202148915 /nfs/dbraw/zinc/14/89/15/202148915.db2.gz ZQOVKQVIMOACEB-NHCUHLMSSA-N 1 2 345.446 3.590 50 0 EHAALO c1ccc2sc(C3CC[NH+](Cc4nc(C5CC5)no4)CC3)nc2c1 ZINC000029454903 202186318 /nfs/dbraw/zinc/18/63/18/202186318.db2.gz KRAXMUWLAUPITF-UHFFFAOYSA-N 1 2 340.452 3.936 50 0 EHAALO Cn1cccc1C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000030965559 202201636 /nfs/dbraw/zinc/20/16/36/202201636.db2.gz ILPGBRFKBCTKGE-OAHLLOKOSA-N 1 2 325.437 3.655 50 0 EHAALO Cn1cccc1C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000030965559 202201639 /nfs/dbraw/zinc/20/16/39/202201639.db2.gz ILPGBRFKBCTKGE-OAHLLOKOSA-N 1 2 325.437 3.655 50 0 EHAALO C[N@@H+](Cc1ncc(-c2ccccc2)o1)C[C@@H]1COc2ccccc2O1 ZINC000032654936 202229993 /nfs/dbraw/zinc/22/99/93/202229993.db2.gz GNCFTBZLTDRJKF-MRXNPFEDSA-N 1 2 336.391 3.613 50 0 EHAALO C[N@H+](Cc1ncc(-c2ccccc2)o1)C[C@@H]1COc2ccccc2O1 ZINC000032654936 202229997 /nfs/dbraw/zinc/22/99/97/202229997.db2.gz GNCFTBZLTDRJKF-MRXNPFEDSA-N 1 2 336.391 3.613 50 0 EHAALO Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069901002 202297818 /nfs/dbraw/zinc/29/78/18/202297818.db2.gz JPXLDBPCLZSFOW-SFHVURJKSA-N 1 2 346.434 3.731 50 0 EHAALO CC(C)(C)c1[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc2[nH+]1 ZINC000071284801 202344367 /nfs/dbraw/zinc/34/43/67/202344367.db2.gz YGIFYJOCSKMWOJ-UHFFFAOYSA-N 1 2 329.425 3.661 50 0 EHAALO Cc1csc([C@H](C)NC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)n1 ZINC000077447099 202393284 /nfs/dbraw/zinc/39/32/84/202393284.db2.gz NJLGQPUEKXPOKF-LBPRGKRZSA-N 1 2 341.440 3.735 50 0 EHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[NH+]1CCCC1)S2 ZINC000022852970 212329135 /nfs/dbraw/zinc/32/91/35/212329135.db2.gz RXTIHNNMGOPZAL-HNNXBMFYSA-N 1 2 342.468 3.552 50 0 EHAALO COc1cccc([C@H]([NH2+][C@@H](C)c2nccnc2C)c2ccccn2)c1 ZINC000242302322 243018048 /nfs/dbraw/zinc/01/80/48/243018048.db2.gz YRKWUEYPRHLTBV-YWZLYKJASA-N 1 2 334.423 3.629 50 0 EHAALO CCCc1noc([C@H](C)[NH+]2CCC(OCc3ccccc3)CC2)n1 ZINC000069484038 203005987 /nfs/dbraw/zinc/00/59/87/203005987.db2.gz GSJJZWCWTRMYNG-HNNXBMFYSA-N 1 2 329.444 3.764 50 0 EHAALO CC(C)Cc1nnc([C@@H](C)[N@H+]2CC=C(c3ccc(O)cc3)CC2)o1 ZINC000069968566 203066368 /nfs/dbraw/zinc/06/63/68/203066368.db2.gz GUCKCFMULTXJCE-CQSZACIVSA-N 1 2 327.428 3.824 50 0 EHAALO CC(C)Cc1nnc([C@@H](C)[N@@H+]2CC=C(c3ccc(O)cc3)CC2)o1 ZINC000069968566 203066372 /nfs/dbraw/zinc/06/63/72/203066372.db2.gz GUCKCFMULTXJCE-CQSZACIVSA-N 1 2 327.428 3.824 50 0 EHAALO Cc1c[nH+]ccc1NC(=O)[C@H](C)Oc1ccccc1Br ZINC000071900253 203143933 /nfs/dbraw/zinc/14/39/33/203143933.db2.gz LOMHNIUKHSQWKJ-NSHDSACASA-N 1 2 335.201 3.559 50 0 EHAALO Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3c3ccccn3)o2)n1C ZINC000072120940 203163942 /nfs/dbraw/zinc/16/39/42/203163942.db2.gz WFWHTVBAIZWXIP-MRXNPFEDSA-N 1 2 337.427 3.506 50 0 EHAALO Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3c3ccccn3)o2)n1C ZINC000072120940 203163945 /nfs/dbraw/zinc/16/39/45/203163945.db2.gz WFWHTVBAIZWXIP-MRXNPFEDSA-N 1 2 337.427 3.506 50 0 EHAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1F ZINC000072119364 203164179 /nfs/dbraw/zinc/16/41/79/203164179.db2.gz GFWVYLHLZISBBE-UHFFFAOYSA-N 1 2 329.762 3.595 50 0 EHAALO CCCCc1nc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c[nH]1 ZINC000072149784 203173487 /nfs/dbraw/zinc/17/34/87/203173487.db2.gz ZNCPMSBUZBYAIR-UHFFFAOYSA-N 1 2 331.435 3.935 50 0 EHAALO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)NC1CC1 ZINC000072271028 203188226 /nfs/dbraw/zinc/18/82/26/203188226.db2.gz RDCRWKCGVKOAHZ-UHFFFAOYSA-N 1 2 346.434 3.560 50 0 EHAALO CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000072414387 203218468 /nfs/dbraw/zinc/21/84/68/203218468.db2.gz IXHXCKYAETYQSM-UHFFFAOYSA-N 1 2 334.441 3.713 50 0 EHAALO CCCCc1[nH]c(C[N@@H+]2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)c[nH+]1 ZINC000072418776 203219053 /nfs/dbraw/zinc/21/90/53/203219053.db2.gz GCDODGIUVYOGMV-MRXNPFEDSA-N 1 2 341.455 3.515 50 0 EHAALO CCCCc1[nH]c(C[N@H+]2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)c[nH+]1 ZINC000072418776 203219057 /nfs/dbraw/zinc/21/90/57/203219057.db2.gz GCDODGIUVYOGMV-MRXNPFEDSA-N 1 2 341.455 3.515 50 0 EHAALO COc1ccc([C@@H]2c3[nH]c[nH+]c3CCN2CC(C)(C)C)c(F)c1F ZINC000072420536 203220274 /nfs/dbraw/zinc/22/02/74/203220274.db2.gz WLUXNGYAGNHTIP-QGZVFWFLSA-N 1 2 335.398 3.690 50 0 EHAALO COc1cc(C[N@@H+]2CCc3ccccc3C2)cc(Br)c1O ZINC000019537363 212041161 /nfs/dbraw/zinc/04/11/61/212041161.db2.gz QFPABRPUWPYRQZ-UHFFFAOYSA-N 1 2 348.240 3.722 50 0 EHAALO COc1cc(C[N@H+]2CCc3ccccc3C2)cc(Br)c1O ZINC000019537363 212041163 /nfs/dbraw/zinc/04/11/63/212041163.db2.gz QFPABRPUWPYRQZ-UHFFFAOYSA-N 1 2 348.240 3.722 50 0 EHAALO Cc1cc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)c(C)o1 ZINC000095456449 218399282 /nfs/dbraw/zinc/39/92/82/218399282.db2.gz IEWAERVWTOOMHP-UHFFFAOYSA-N 1 2 349.434 3.534 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000012575516 207177044 /nfs/dbraw/zinc/17/70/44/207177044.db2.gz GFHMKKHVFYSJHX-MRXNPFEDSA-N 1 2 343.789 3.732 50 0 EHAALO COc1ccc2c(c1)C=C(C[N@@H+]1CCCC[C@@H]1c1cc(C)on1)CO2 ZINC000097527376 219033406 /nfs/dbraw/zinc/03/34/06/219033406.db2.gz ONUCZWGADBSWAZ-LJQANCHMSA-N 1 2 340.423 3.995 50 0 EHAALO COc1ccc2c(c1)C=C(C[N@H+]1CCCC[C@@H]1c1cc(C)on1)CO2 ZINC000097527376 219033408 /nfs/dbraw/zinc/03/34/08/219033408.db2.gz ONUCZWGADBSWAZ-LJQANCHMSA-N 1 2 340.423 3.995 50 0 EHAALO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cncs1 ZINC000299802041 258105048 /nfs/dbraw/zinc/10/50/48/258105048.db2.gz RISAKZCZRLUISU-HNNXBMFYSA-N 1 2 349.887 3.754 50 0 EHAALO Clc1ccccc1N1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000055531035 132195157 /nfs/dbraw/zinc/19/51/57/132195157.db2.gz AAUCANZIDJMQQB-UHFFFAOYSA-N 1 2 327.815 3.803 50 0 EHAALO O=c1c2ccccc2scc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000056925373 132198269 /nfs/dbraw/zinc/19/82/69/132198269.db2.gz DBUFPTVPIVCEPV-UHFFFAOYSA-N 1 2 336.460 3.584 50 0 EHAALO COc1ccc(C[N@@H+]2CCN(c3ccc(C)c(C)c3)C(=O)[C@@H]2C)cc1 ZINC000037519866 132395102 /nfs/dbraw/zinc/39/51/02/132395102.db2.gz ABVWOEKITRHTBU-KRWDZBQOSA-N 1 2 338.451 3.549 50 0 EHAALO COc1ccc(C[N@H+]2CCN(c3ccc(C)c(C)c3)C(=O)[C@@H]2C)cc1 ZINC000037519866 132395103 /nfs/dbraw/zinc/39/51/03/132395103.db2.gz ABVWOEKITRHTBU-KRWDZBQOSA-N 1 2 338.451 3.549 50 0 EHAALO O=C(c1ccccc1-c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000000085809 526799967 /nfs/dbraw/zinc/79/99/67/526799967.db2.gz RBAMRSBFSMPZBB-UHFFFAOYSA-N 1 2 343.430 3.711 50 0 EHAALO COc1ccc(CCC(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000004625779 563506211 /nfs/dbraw/zinc/50/62/11/563506211.db2.gz BKLUDYYUEFQGJM-UHFFFAOYSA-N 1 2 335.407 3.511 50 0 EHAALO Cc1cc(N2CCN(C(=O)c3cccc(F)c3)CC2)[nH+]c2ccccc12 ZINC000009575777 563644366 /nfs/dbraw/zinc/64/43/66/563644366.db2.gz VEVDJWVWQWPLMI-UHFFFAOYSA-N 1 2 349.409 3.645 50 0 EHAALO Cc1ccc(N2CC[N@H+](Cc3nc(-c4ccccc4)no3)[C@@H](C)C2)cc1 ZINC000012373366 563659107 /nfs/dbraw/zinc/65/91/07/563659107.db2.gz NQZPMYZWPAEMNO-KRWDZBQOSA-N 1 2 348.450 3.756 50 0 EHAALO Cc1ccc(N2CC[N@@H+](Cc3nc(-c4ccccc4)no3)[C@@H](C)C2)cc1 ZINC000012373366 563659109 /nfs/dbraw/zinc/65/91/09/563659109.db2.gz NQZPMYZWPAEMNO-KRWDZBQOSA-N 1 2 348.450 3.756 50 0 EHAALO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000012380663 563659121 /nfs/dbraw/zinc/65/91/21/563659121.db2.gz ZPBYZRAGZJDBON-KRWDZBQOSA-N 1 2 349.434 3.524 50 0 EHAALO C[N@H+](Cc1cc(C(=O)N2CCCCCCC2)no1)Cc1ccccc1 ZINC000012432714 563660694 /nfs/dbraw/zinc/66/06/94/563660694.db2.gz YKKSSUVUKANDPR-UHFFFAOYSA-N 1 2 341.455 3.713 50 0 EHAALO C[N@@H+](Cc1cc(C(=O)N2CCCCCCC2)no1)Cc1ccccc1 ZINC000012432714 563660696 /nfs/dbraw/zinc/66/06/96/563660696.db2.gz YKKSSUVUKANDPR-UHFFFAOYSA-N 1 2 341.455 3.713 50 0 EHAALO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000014116655 563742441 /nfs/dbraw/zinc/74/24/41/563742441.db2.gz LAQAOBPGWLNICZ-CQSZACIVSA-N 1 2 330.403 3.602 50 0 EHAALO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000014116655 563742445 /nfs/dbraw/zinc/74/24/45/563742445.db2.gz LAQAOBPGWLNICZ-CQSZACIVSA-N 1 2 330.403 3.602 50 0 EHAALO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000019114276 563853980 /nfs/dbraw/zinc/85/39/80/563853980.db2.gz PREAHGFGYBXXKN-ZDUSSCGKSA-N 1 2 337.345 3.523 50 0 EHAALO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000019114276 563853982 /nfs/dbraw/zinc/85/39/82/563853982.db2.gz PREAHGFGYBXXKN-ZDUSSCGKSA-N 1 2 337.345 3.523 50 0 EHAALO O=C(c1cccc(C(F)(F)F)c1)N1CCc2[nH]c[nH+]c2C12CCCC2 ZINC000065293168 563853994 /nfs/dbraw/zinc/85/39/94/563853994.db2.gz SIMXLOKZUOWJQW-UHFFFAOYSA-N 1 2 349.356 3.896 50 0 EHAALO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023903553 563867531 /nfs/dbraw/zinc/86/75/31/563867531.db2.gz QLLFTXZRDKDWGE-ZDUSSCGKSA-N 1 2 348.878 3.904 50 0 EHAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000043210857 563925432 /nfs/dbraw/zinc/92/54/32/563925432.db2.gz RJTHEZJUVAYOTG-UHFFFAOYSA-N 1 2 349.352 3.769 50 0 EHAALO c1coc(-c2noc(C[NH2+]Cc3scnc3-c3ccccc3)n2)c1 ZINC000065371580 563958445 /nfs/dbraw/zinc/95/84/45/563958445.db2.gz PXNDSPGNQCCXST-UHFFFAOYSA-N 1 2 338.392 3.743 50 0 EHAALO C[C@@H](c1ccc(-c2coc3ccccc3c2=O)cc1)[NH+]1CCOCC1 ZINC000065406981 563960380 /nfs/dbraw/zinc/96/03/80/563960380.db2.gz JQPLDPFEMAKSNK-HNNXBMFYSA-N 1 2 335.403 3.853 50 0 EHAALO Cc1cc(NC(=O)C[N@H+](Cc2cncs2)C2CC2)ccc1Cl ZINC000065435148 563960952 /nfs/dbraw/zinc/96/09/52/563960952.db2.gz IBSJPKNNPYWRGL-UHFFFAOYSA-N 1 2 335.860 3.708 50 0 EHAALO Cc1cc(NC(=O)C[N@@H+](Cc2cncs2)C2CC2)ccc1Cl ZINC000065435148 563960953 /nfs/dbraw/zinc/96/09/53/563960953.db2.gz IBSJPKNNPYWRGL-UHFFFAOYSA-N 1 2 335.860 3.708 50 0 EHAALO Cc1c[nH+]c(C)nc1N1CCC(c2n[nH]cc2Cc2ccccc2)CC1 ZINC000067674861 563962482 /nfs/dbraw/zinc/96/24/82/563962482.db2.gz XSQAORIAYBQWJW-UHFFFAOYSA-N 1 2 347.466 3.791 50 0 EHAALO COc1ccc(-c2[nH+]ccn2CCCN2CCCC2=O)c2ccccc12 ZINC000067770901 563962679 /nfs/dbraw/zinc/96/26/79/563962679.db2.gz DERARMHFJYXOHJ-UHFFFAOYSA-N 1 2 349.434 3.724 50 0 EHAALO c1cn(CCCn2cc[nH+]c2)c(-c2ccc(-c3ccccn3)cc2)n1 ZINC000067789801 563962762 /nfs/dbraw/zinc/96/27/62/563962762.db2.gz IVCDPALBOZEOOL-UHFFFAOYSA-N 1 2 329.407 3.899 50 0 EHAALO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000067974272 563963154 /nfs/dbraw/zinc/96/31/54/563963154.db2.gz IQTOEFLIZAQXRP-UHFFFAOYSA-N 1 2 329.403 3.568 50 0 EHAALO O=c1[nH]c2ccccc2cc1C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000067974272 563963155 /nfs/dbraw/zinc/96/31/55/563963155.db2.gz IQTOEFLIZAQXRP-UHFFFAOYSA-N 1 2 329.403 3.568 50 0 EHAALO C[C@H]([NH2+]Cc1csc([C@H]2CCCO2)n1)c1ccc2c(c1)OCO2 ZINC000097033047 563966889 /nfs/dbraw/zinc/96/68/89/563966889.db2.gz AAGBUSFOFZHMMB-XHDPSFHLSA-N 1 2 332.425 3.574 50 0 EHAALO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000097080848 563967244 /nfs/dbraw/zinc/96/72/44/563967244.db2.gz YMUSZVIHHDFCTH-LJQANCHMSA-N 1 2 348.450 3.828 50 0 EHAALO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000097080848 563967245 /nfs/dbraw/zinc/96/72/45/563967245.db2.gz YMUSZVIHHDFCTH-LJQANCHMSA-N 1 2 348.450 3.828 50 0 EHAALO CCc1onc(C)c1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000097142588 563968196 /nfs/dbraw/zinc/96/81/96/563968196.db2.gz VZZPGNCSZVKXNM-CYBMUJFWSA-N 1 2 348.472 3.518 50 0 EHAALO CSCc1ccc(N2CCC[C@@H](OCc3cccnc3)C2)[nH+]c1 ZINC000082107630 563972295 /nfs/dbraw/zinc/97/22/95/563972295.db2.gz AEXFJCRLPAVOAN-QGZVFWFLSA-N 1 2 329.469 3.525 50 0 EHAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2)C1 ZINC000082126203 563972541 /nfs/dbraw/zinc/97/25/41/563972541.db2.gz PKOARSCJDCJFSP-CYBMUJFWSA-N 1 2 349.887 3.572 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2)C1 ZINC000091664867 563975636 /nfs/dbraw/zinc/97/56/36/563975636.db2.gz VVSAXDKPPFSQDI-GFCCVEGCSA-N 1 2 335.810 3.715 50 0 EHAALO COc1cccc(C)c1C(=O)N1CCC(c2[nH+]ccn2C(C)C)CC1 ZINC000091725458 563975710 /nfs/dbraw/zinc/97/57/10/563975710.db2.gz MPUZXGOUJNCHAX-UHFFFAOYSA-N 1 2 341.455 3.801 50 0 EHAALO O=C(c1ccc2[nH+]ccn2c1)N1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000091873091 563975855 /nfs/dbraw/zinc/97/58/55/563975855.db2.gz GQRNBQRRBMSJPB-SFHVURJKSA-N 1 2 349.434 3.667 50 0 EHAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000092001477 563975951 /nfs/dbraw/zinc/97/59/51/563975951.db2.gz RXZSBPCFKSAITM-UHFFFAOYSA-N 1 2 347.409 3.981 50 0 EHAALO Cc1cn2cc(NC(=O)Nc3c(C)nn(C(C)C)c3C)ccc2[nH+]1 ZINC000072292035 563976681 /nfs/dbraw/zinc/97/66/81/563976681.db2.gz AFRMGXREVHWWHU-UHFFFAOYSA-N 1 2 326.404 3.681 50 0 EHAALO O=C(c1ccccc1Cl)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095508322 563977186 /nfs/dbraw/zinc/97/71/86/563977186.db2.gz IICMGJBNOJQNMB-OAHLLOKOSA-N 1 2 343.858 3.966 50 0 EHAALO Cc1ccccc1CC1(NC(=O)c2ccccc2-c2[nH]cc[nH+]2)CC1 ZINC000097334137 563981514 /nfs/dbraw/zinc/98/15/14/563981514.db2.gz OUTMOOKRNSZTEK-UHFFFAOYSA-N 1 2 331.419 3.890 50 0 EHAALO COc1cccc(Cl)c1C[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000328589575 563984193 /nfs/dbraw/zinc/98/41/93/563984193.db2.gz VIPZARYZERNSLO-ZHRRBRCNSA-N 1 2 337.872 3.558 50 0 EHAALO Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000408522603 563993247 /nfs/dbraw/zinc/99/32/47/563993247.db2.gz KHHAHJOQVZRASO-MSOLQXFVSA-N 1 2 339.483 4.000 50 0 EHAALO CN(C)c1[nH+]cccc1CNC(=O)CCSc1ccccc1Cl ZINC000046588760 563995584 /nfs/dbraw/zinc/99/55/84/563995584.db2.gz OZVNLZGYZXQIGO-UHFFFAOYSA-N 1 2 349.887 3.600 50 0 EHAALO CCCCC(=O)Nc1ccc(Nc2nc(N(C)C)cc(C)[nH+]2)cc1 ZINC000017269846 564011543 /nfs/dbraw/zinc/01/15/43/564011543.db2.gz AWKJGZYOBDRPOH-UHFFFAOYSA-N 1 2 327.432 3.723 50 0 EHAALO O=C(Nc1ccccc1-c1ccncc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180478550 564013395 /nfs/dbraw/zinc/01/33/95/564013395.db2.gz PWHUJOANEDYSAU-KRWDZBQOSA-N 1 2 347.422 3.642 50 0 EHAALO O=C(CCc1c[nH+]c[nH]1)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000189238647 564014966 /nfs/dbraw/zinc/01/49/66/564014966.db2.gz VOOXIWVSADBDNO-KRWDZBQOSA-N 1 2 345.855 3.963 50 0 EHAALO O=C(CCc1c[nH]c[nH+]1)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000189238647 564014967 /nfs/dbraw/zinc/01/49/67/564014967.db2.gz VOOXIWVSADBDNO-KRWDZBQOSA-N 1 2 345.855 3.963 50 0 EHAALO COc1ccc(CCC2=[NH+]CCc3cc(OC)c(OC)cc32)cc1 ZINC000000486278 564017151 /nfs/dbraw/zinc/01/71/51/564017151.db2.gz IFYJMYVGGWFRAK-UHFFFAOYSA-N 1 2 325.408 3.690 50 0 biogenic EHAALO CC[N@H+](CCCNC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000014903623 564033103 /nfs/dbraw/zinc/03/31/03/564033103.db2.gz IEBMBPJXGOPMTF-SDNWHVSQSA-N 1 2 326.415 3.872 50 0 EHAALO CC[N@@H+](CCCNC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000014903623 564033104 /nfs/dbraw/zinc/03/31/04/564033104.db2.gz IEBMBPJXGOPMTF-SDNWHVSQSA-N 1 2 326.415 3.872 50 0 EHAALO COc1cc([C@H](C)[NH2+]Cc2cn[nH]c2C)ccc1SC(F)F ZINC000225545322 564047707 /nfs/dbraw/zinc/04/77/07/564047707.db2.gz AYHNOOSRNJMENE-VIFPVBQESA-N 1 2 327.400 3.892 50 0 EHAALO Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000012549914 564059075 /nfs/dbraw/zinc/05/90/75/564059075.db2.gz LLCJBICHBWDJKE-KRWDZBQOSA-N 1 2 349.434 3.745 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000575616131 564083449 /nfs/dbraw/zinc/08/34/49/564083449.db2.gz HIEGIQCNQKPZHF-MRXNPFEDSA-N 1 2 344.418 3.913 50 0 EHAALO O=C(NCc1[nH]cc[nH+]1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000092029414 564088851 /nfs/dbraw/zinc/08/88/51/564088851.db2.gz PWTDLAPTGMINHH-UHFFFAOYSA-N 1 2 343.774 3.572 50 0 EHAALO CC[C@@H](CC(=O)NCc1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000006651040 564095424 /nfs/dbraw/zinc/09/54/24/564095424.db2.gz CKZILWLFGGAQEM-ZDUSSCGKSA-N 1 2 326.227 3.848 50 0 EHAALO Cc1ccc(CC(=O)N2CCC(CCOc3cc[nH+]cc3)CC2)cc1 ZINC000065181035 564102377 /nfs/dbraw/zinc/10/23/77/564102377.db2.gz VTYPOTPFCNTWPT-UHFFFAOYSA-N 1 2 338.451 3.640 50 0 EHAALO COc1ccc2oc([C@H](C)[NH2+]Cc3nnc(C)n3C3CC3)c(C)c2c1 ZINC000170077504 564105291 /nfs/dbraw/zinc/10/52/91/564105291.db2.gz VUYLBONSNSNHHT-LBPRGKRZSA-N 1 2 340.427 3.835 50 0 EHAALO Cc1nc2cc(NC(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)ccc2o1 ZINC000089721668 564113386 /nfs/dbraw/zinc/11/33/86/564113386.db2.gz ILXTULUOHRFUQM-CQSZACIVSA-N 1 2 325.372 3.618 50 0 EHAALO Cn1c[nH+]cc1CCC(=O)Nc1ccc(-c2ccc(Cl)s2)cn1 ZINC000252502425 564119877 /nfs/dbraw/zinc/11/98/77/564119877.db2.gz UQFOOCXMAWLUPK-UHFFFAOYSA-N 1 2 346.843 3.768 50 0 EHAALO C[C@H](c1ccco1)N(C(=O)N[C@@H]1CCC[C@H]1n1cc[nH+]c1)C1CC1 ZINC000252512489 564120191 /nfs/dbraw/zinc/12/01/91/564120191.db2.gz RHFILCLBLAAYRO-FVQBIDKESA-N 1 2 328.416 3.505 50 0 EHAALO C[C@@H](C[NH2+][C@@H](c1ncon1)c1ccc(F)c(F)c1)c1ccccc1 ZINC000194527016 564121579 /nfs/dbraw/zinc/12/15/79/564121579.db2.gz BHIHKRYHEGWECL-YVEFUNNKSA-N 1 2 329.350 3.831 50 0 EHAALO Cc1ncsc1C[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000093865550 564138053 /nfs/dbraw/zinc/13/80/53/564138053.db2.gz YGBHFHPEPZILHO-AWEZNQCLSA-N 1 2 340.395 3.626 50 0 EHAALO Cc1ncsc1C[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000093865550 564138054 /nfs/dbraw/zinc/13/80/54/564138054.db2.gz YGBHFHPEPZILHO-AWEZNQCLSA-N 1 2 340.395 3.626 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)/C=C/c2cccs2)C1 ZINC000390828917 564138595 /nfs/dbraw/zinc/13/85/95/564138595.db2.gz CFDIFYPKDXDELD-XVJNWHFHSA-N 1 2 337.448 3.893 50 0 EHAALO Cn1c(C[N@H+](C)Cc2csc3ccccc23)nc2ccccc2c1=O ZINC000095393121 564139397 /nfs/dbraw/zinc/13/93/97/564139397.db2.gz KIRBJBWRPFRXBU-UHFFFAOYSA-N 1 2 349.459 3.780 50 0 EHAALO Cn1c(C[N@@H+](C)Cc2csc3ccccc23)nc2ccccc2c1=O ZINC000095393121 564139398 /nfs/dbraw/zinc/13/93/98/564139398.db2.gz KIRBJBWRPFRXBU-UHFFFAOYSA-N 1 2 349.459 3.780 50 0 EHAALO O=C(NC1CC1)c1ccc(CNc2cc(C(F)(F)F)cc[nH+]2)cc1 ZINC000095408551 564139631 /nfs/dbraw/zinc/13/96/31/564139631.db2.gz HVHSCGUZLGRNKK-UHFFFAOYSA-N 1 2 335.329 3.605 50 0 EHAALO COc1ccccc1-c1nnc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)o1 ZINC000096490739 564148732 /nfs/dbraw/zinc/14/87/32/564148732.db2.gz KXKLETBOJLIVOH-NSHDSACASA-N 1 2 345.349 3.874 50 0 EHAALO CCc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)[nH]c(C)c1C(C)=O ZINC000055409041 564149782 /nfs/dbraw/zinc/14/97/82/564149782.db2.gz JNVNXXUUFZDOGG-UHFFFAOYSA-N 1 2 336.395 3.526 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2cccc(F)c2)c1C ZINC000057380681 564153836 /nfs/dbraw/zinc/15/38/36/564153836.db2.gz NDZSMPXARKGHPX-ZDUSSCGKSA-N 1 2 330.403 3.676 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2cccc(F)c2)c1C ZINC000057380681 564153837 /nfs/dbraw/zinc/15/38/37/564153837.db2.gz NDZSMPXARKGHPX-ZDUSSCGKSA-N 1 2 330.403 3.676 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Cc1cccc2ccccc21 ZINC000008134419 564163122 /nfs/dbraw/zinc/16/31/22/564163122.db2.gz QIQFDXXVZHSPKE-UHFFFAOYSA-N 1 2 343.430 3.857 50 0 EHAALO CC[C@@H](C)NC(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000008391673 564164975 /nfs/dbraw/zinc/16/49/75/564164975.db2.gz HIUHZYBNWLCGOU-OAHLLOKOSA-N 1 2 336.439 3.563 50 0 EHAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(CC(C)C)no2)cc1OC ZINC000040067077 564167871 /nfs/dbraw/zinc/16/78/71/564167871.db2.gz IYKSEPIPECKCIT-OAHLLOKOSA-N 1 2 345.443 3.622 50 0 EHAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(CC(C)C)no2)cc1OC ZINC000040067077 564167872 /nfs/dbraw/zinc/16/78/72/564167872.db2.gz IYKSEPIPECKCIT-OAHLLOKOSA-N 1 2 345.443 3.622 50 0 EHAALO c1coc(-c2nc(C[N@H+](C[C@H]3CCCO3)C[C@@H]3CCCO3)cs2)c1 ZINC000040120151 564168201 /nfs/dbraw/zinc/16/82/01/564168201.db2.gz NGDLDKBZQYELCM-IYBDPMFKSA-N 1 2 348.468 3.563 50 0 EHAALO c1coc(-c2nc(C[N@@H+](C[C@H]3CCCO3)C[C@@H]3CCCO3)cs2)c1 ZINC000040120151 564168202 /nfs/dbraw/zinc/16/82/02/564168202.db2.gz NGDLDKBZQYELCM-IYBDPMFKSA-N 1 2 348.468 3.563 50 0 EHAALO Cc1cc(C)c(NC(=O)N2CC[NH+](Cc3ccco3)CC2)c(C)c1 ZINC000040525462 564170355 /nfs/dbraw/zinc/17/03/55/564170355.db2.gz INRBSZDTWBAWSY-UHFFFAOYSA-N 1 2 327.428 3.555 50 0 EHAALO Cc1cc(C)cc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c1 ZINC000009367319 564173038 /nfs/dbraw/zinc/17/30/38/564173038.db2.gz UZMYDQULXJCGBE-SFHVURJKSA-N 1 2 337.398 3.695 50 0 EHAALO CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000009445995 564173726 /nfs/dbraw/zinc/17/37/26/564173726.db2.gz FTADHHGRLFYGQH-NSHDSACASA-N 1 2 332.391 3.621 50 0 EHAALO CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000009445995 564173727 /nfs/dbraw/zinc/17/37/27/564173727.db2.gz FTADHHGRLFYGQH-NSHDSACASA-N 1 2 332.391 3.621 50 0 EHAALO C[C@@H](C(=O)Nc1cccc(OCCn2cc[nH+]c2)c1)c1ccsc1 ZINC000078078665 564176895 /nfs/dbraw/zinc/17/68/95/564176895.db2.gz JZVLIIYURSMUFF-CQSZACIVSA-N 1 2 341.436 3.766 50 0 EHAALO CCNC(=O)NCCCNc1[nH+]c2ccccc2n1C1CCCCC1 ZINC000034906859 564177518 /nfs/dbraw/zinc/17/75/18/564177518.db2.gz YZYAAHUIAUNBTF-UHFFFAOYSA-N 1 2 343.475 3.663 50 0 EHAALO CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000012982483 568417680 /nfs/dbraw/zinc/41/76/80/568417680.db2.gz CZPYOIBFTBPPKG-DOMZBBRYSA-N 1 2 348.434 3.836 50 0 EHAALO CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000012982483 568417684 /nfs/dbraw/zinc/41/76/84/568417684.db2.gz CZPYOIBFTBPPKG-DOMZBBRYSA-N 1 2 348.434 3.836 50 0 EHAALO Cc1nc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)co1 ZINC000289351932 1018298976 /nfs/dbraw/zinc/29/89/76/1018298976.db2.gz HPUFLRONLDXXAG-HNNXBMFYSA-N 1 2 328.347 3.509 50 0 EHAALO Cc1nc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)co1 ZINC000289351932 1018298990 /nfs/dbraw/zinc/29/89/90/1018298990.db2.gz HPUFLRONLDXXAG-HNNXBMFYSA-N 1 2 328.347 3.509 50 0 EHAALO Cn1c[nH+]cc1CCC(=O)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000527006211 1120997868 /nfs/dbraw/zinc/99/78/68/1120997868.db2.gz TYCXAHONISTYKF-YHWKNFMLSA-N 1 2 343.496 3.899 50 0 EHAALO CCn1ccnc1C[NH2+]Cc1cccnc1Oc1c(C)cccc1C ZINC000012305771 1129510119 /nfs/dbraw/zinc/51/01/19/1129510119.db2.gz QREJYJSJTGJZIR-UHFFFAOYSA-N 1 2 336.439 3.997 50 0 EHAALO Cc1c[nH+]c(-c2ccncc2)n1C[C@H]1CCCN(C(=O)CC(C)C)C1 ZINC000581807131 1132369828 /nfs/dbraw/zinc/36/98/28/1132369828.db2.gz CVTUGJAXKLNOQT-KRWDZBQOSA-N 1 2 340.471 3.538 50 0 EHAALO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccc(F)c(F)c1 ZINC000017046808 201984149 /nfs/dbraw/zinc/98/41/49/201984149.db2.gz BTBHITVSABFGGU-JTQLQIEISA-N 1 2 333.363 3.732 50 0 EHAALO COc1ccccc1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000019781995 202020926 /nfs/dbraw/zinc/02/09/26/202020926.db2.gz ROFVBIBZHRNLPA-UHFFFAOYSA-N 1 2 330.859 3.666 50 0 EHAALO Cc1ccc(C(=O)CSc2nnc(C[NH+]3CCC(C)CC3)o2)cc1 ZINC000019897548 202024728 /nfs/dbraw/zinc/02/47/28/202024728.db2.gz FEHKUIAYKBEEIR-UHFFFAOYSA-N 1 2 345.468 3.585 50 0 EHAALO CCCCCOc1ccc(/C=C2/SC(=O)N(C[NH+](C)C)C2=O)cc1 ZINC000020265989 202037048 /nfs/dbraw/zinc/03/70/48/202037048.db2.gz MDNBLAXFBOJPHQ-FOWTUZBSSA-N 1 2 348.468 3.811 50 0 EHAALO C[N@@H+]1CCc2c(sc3nc(SCc4ccccc4)nc(N)c32)C1 ZINC000020442031 202041348 /nfs/dbraw/zinc/04/13/48/202041348.db2.gz NBKKDYDBMVILTG-UHFFFAOYSA-N 1 2 342.493 3.554 50 0 EHAALO C[N@H+]1CCc2c(sc3nc(SCc4ccccc4)nc(N)c32)C1 ZINC000020442031 202041349 /nfs/dbraw/zinc/04/13/49/202041349.db2.gz NBKKDYDBMVILTG-UHFFFAOYSA-N 1 2 342.493 3.554 50 0 EHAALO O=C(Nc1ccccc1F)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020508103 202046979 /nfs/dbraw/zinc/04/69/79/202046979.db2.gz IGCKQHKUYXKYHU-UHFFFAOYSA-N 1 2 347.821 3.829 50 0 EHAALO C[C@@H](c1cccs1)[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000023762522 202108478 /nfs/dbraw/zinc/10/84/78/202108478.db2.gz FOMUOJYDERDZAJ-JTQLQIEISA-N 1 2 345.493 3.728 50 0 EHAALO C[C@@H](c1cccs1)[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000023762522 202108483 /nfs/dbraw/zinc/10/84/83/202108483.db2.gz FOMUOJYDERDZAJ-JTQLQIEISA-N 1 2 345.493 3.728 50 0 EHAALO CCN(CC)c1ccc(CNC(=O)CCCc2cccs2)c[nH+]1 ZINC000040118599 202171899 /nfs/dbraw/zinc/17/18/99/202171899.db2.gz WKCBOHNAZKHGRM-UHFFFAOYSA-N 1 2 331.485 3.628 50 0 EHAALO C[C@@H](NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000029655620 202190175 /nfs/dbraw/zinc/19/01/75/202190175.db2.gz BIKHQVROWBVBSZ-HZPDHXFCSA-N 1 2 334.423 3.994 50 0 EHAALO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccc(N(C)C)cc1 ZINC000030676192 202198446 /nfs/dbraw/zinc/19/84/46/202198446.db2.gz RKVXADAWBBOFMZ-CYBMUJFWSA-N 1 2 340.452 3.520 50 0 EHAALO Cc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000031939731 202214436 /nfs/dbraw/zinc/21/44/36/202214436.db2.gz IMQOMQIHXNRGIA-GOSISDBHSA-N 1 2 332.407 3.553 50 0 EHAALO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000032419968 202225476 /nfs/dbraw/zinc/22/54/76/202225476.db2.gz FHRCXUZJKBSDNZ-CVEARBPZSA-N 1 2 326.444 3.602 50 0 EHAALO COc1cccc(C[N@H+](C)Cc2nc3ccccc3nc2C)c1OC ZINC000032751412 202231810 /nfs/dbraw/zinc/23/18/10/202231810.db2.gz RRYMVSXAPPAHGQ-UHFFFAOYSA-N 1 2 337.423 3.587 50 0 EHAALO COc1cccc(C[N@@H+](C)Cc2nc3ccccc3nc2C)c1OC ZINC000032751412 202231813 /nfs/dbraw/zinc/23/18/13/202231813.db2.gz RRYMVSXAPPAHGQ-UHFFFAOYSA-N 1 2 337.423 3.587 50 0 EHAALO CCOc1ccccc1NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000032951058 202243659 /nfs/dbraw/zinc/24/36/59/202243659.db2.gz RHBIGXWNWSJLSY-UHFFFAOYSA-N 1 2 338.411 3.565 50 0 EHAALO CC[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000035325921 202297012 /nfs/dbraw/zinc/29/70/12/202297012.db2.gz DJGOJVTYDJZUJA-SJKOYZFVSA-N 1 2 334.510 3.672 50 0 EHAALO CC[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000035325921 202297015 /nfs/dbraw/zinc/29/70/15/202297015.db2.gz DJGOJVTYDJZUJA-SJKOYZFVSA-N 1 2 334.510 3.672 50 0 EHAALO O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000070011579 202303171 /nfs/dbraw/zinc/30/31/71/202303171.db2.gz DSPUQJITLUXNBQ-AWEZNQCLSA-N 1 2 339.370 3.760 50 0 EHAALO CC(C)c1nnc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000075863243 202379279 /nfs/dbraw/zinc/37/92/79/202379279.db2.gz CAOHVSLKMAMEID-AWEZNQCLSA-N 1 2 348.878 3.725 50 0 EHAALO Cc1cccc2sc(C(=O)N[C@@H]3CCc4[nH+]ccn4C3)c(Cl)c21 ZINC000065463038 201154677 /nfs/dbraw/zinc/15/46/77/201154677.db2.gz QEJLYJFLASEUQF-LLVKDONJSA-N 1 2 345.855 3.804 50 0 EHAALO COc1cc(C)cc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000242339336 243019190 /nfs/dbraw/zinc/01/91/90/243019190.db2.gz ZGYWBRJJWACZIB-WMLDXEAASA-N 1 2 342.443 3.624 50 0 EHAALO C[N@H+](Cc1cc(-c2cccnc2)no1)Cc1nc2ccccc2s1 ZINC000244719095 243067247 /nfs/dbraw/zinc/06/72/47/243067247.db2.gz LWTVGZOHOVFSEV-UHFFFAOYSA-N 1 2 336.420 3.978 50 0 EHAALO C[N@@H+](Cc1cc(-c2cccnc2)no1)Cc1nc2ccccc2s1 ZINC000244719095 243067253 /nfs/dbraw/zinc/06/72/53/243067253.db2.gz LWTVGZOHOVFSEV-UHFFFAOYSA-N 1 2 336.420 3.978 50 0 EHAALO CC(C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000069452767 203003010 /nfs/dbraw/zinc/00/30/10/203003010.db2.gz QWLNGJJPYGKNKX-UHFFFAOYSA-N 1 2 333.435 3.871 50 0 EHAALO OCCCCCC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071759261 203109062 /nfs/dbraw/zinc/10/90/62/203109062.db2.gz FIRMLHCAAYYCLC-INIZCTEOSA-N 1 2 332.271 3.919 50 0 EHAALO OCCCCCC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071759261 203109064 /nfs/dbraw/zinc/10/90/64/203109064.db2.gz FIRMLHCAAYYCLC-INIZCTEOSA-N 1 2 332.271 3.919 50 0 EHAALO OCCCCCC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071759262 203109747 /nfs/dbraw/zinc/10/97/47/203109747.db2.gz FIRMLHCAAYYCLC-MRXNPFEDSA-N 1 2 332.271 3.919 50 0 EHAALO OCCCCCC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071759262 203109749 /nfs/dbraw/zinc/10/97/49/203109749.db2.gz FIRMLHCAAYYCLC-MRXNPFEDSA-N 1 2 332.271 3.919 50 0 EHAALO COc1cccc(-c2[nH+]ccn2CCCc2scnc2C)c1OC ZINC000071765486 203110278 /nfs/dbraw/zinc/11/02/78/203110278.db2.gz USOFQQKTDNAAPR-UHFFFAOYSA-N 1 2 343.452 3.965 50 0 EHAALO Cc1c2ccccc2oc1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000071908169 203146452 /nfs/dbraw/zinc/14/64/52/203146452.db2.gz GFMVXMOPJFWULZ-INIZCTEOSA-N 1 2 349.434 3.655 50 0 EHAALO Cc1ccc([C@@H](C)CC[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)o1 ZINC000072149454 203172068 /nfs/dbraw/zinc/17/20/68/203172068.db2.gz LQJNGBXVSZGVHG-HNNXBMFYSA-N 1 2 344.430 3.565 50 0 EHAALO Cc1ccc([C@@H](C)CC[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)o1 ZINC000072149454 203172071 /nfs/dbraw/zinc/17/20/71/203172071.db2.gz LQJNGBXVSZGVHG-HNNXBMFYSA-N 1 2 344.430 3.565 50 0 EHAALO Fc1ccc(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)c(F)c1F ZINC000072174221 203182210 /nfs/dbraw/zinc/18/22/10/203182210.db2.gz HVOFFEPATSVPNH-OAHLLOKOSA-N 1 2 336.357 3.680 50 0 EHAALO Fc1ccc(C[N@H+]2CCC[C@@H](OCc3cccnc3)C2)c(F)c1F ZINC000072174221 203182212 /nfs/dbraw/zinc/18/22/12/203182212.db2.gz HVOFFEPATSVPNH-OAHLLOKOSA-N 1 2 336.357 3.680 50 0 EHAALO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+](C)Cc1cnn(C)c1C ZINC000072468158 203229479 /nfs/dbraw/zinc/22/94/79/203229479.db2.gz YKCREFPJBVRKGP-UHFFFAOYSA-N 1 2 344.846 3.977 50 0 EHAALO Cc1oc(-c2ccccc2Cl)nc1C[N@H+](C)Cc1cnn(C)c1C ZINC000072468158 203229483 /nfs/dbraw/zinc/22/94/83/203229483.db2.gz YKCREFPJBVRKGP-UHFFFAOYSA-N 1 2 344.846 3.977 50 0 EHAALO CCn1c[nH+]cc1CNc1cc(-c2ccccc2)nc2c(C)c(C)nn21 ZINC000072424965 203221296 /nfs/dbraw/zinc/22/12/96/203221296.db2.gz UXDWNDDIKMKTRK-UHFFFAOYSA-N 1 2 346.438 3.842 50 0 EHAALO Fc1cc(Cl)ccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccccn1 ZINC000072480126 203233203 /nfs/dbraw/zinc/23/32/03/203233203.db2.gz LUNYUJRZFKTTSG-SFHVURJKSA-N 1 2 342.805 3.745 50 0 EHAALO C[C@H](c1cccnc1)[NH+]1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000076040259 203333498 /nfs/dbraw/zinc/33/34/98/203333498.db2.gz UINDZQXGLHPJKI-QGZVFWFLSA-N 1 2 348.450 3.615 50 0 EHAALO CN1CCc2c1[nH+]c1ccccc1c2NC(=O)CCc1ccccc1 ZINC000019285797 212010793 /nfs/dbraw/zinc/01/07/93/212010793.db2.gz RZDKMPGUPGKKPL-UHFFFAOYSA-N 1 2 331.419 3.798 50 0 biogenic EHAALO Cc1cc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c(Cl)cc1F ZINC000130270661 205230839 /nfs/dbraw/zinc/23/08/39/205230839.db2.gz MDSHAMJIUYQDAP-UHFFFAOYSA-N 1 2 349.837 3.843 50 0 EHAALO CN(CCCc1[nH+]ccn1C)C(=O)Nc1ccccc1C(F)(F)F ZINC000299803131 258105937 /nfs/dbraw/zinc/10/59/37/258105937.db2.gz XSPDJUNDZGLMSZ-UHFFFAOYSA-N 1 2 340.349 3.535 50 0 EHAALO Cc1ccc(Cn2ncc3c2nc[nH+]c3N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000018207218 135713597 /nfs/dbraw/zinc/71/35/97/135713597.db2.gz KQUHRRWPAODPTP-IYBDPMFKSA-N 1 2 335.455 3.665 50 0 EHAALO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000121740861 221920270 /nfs/dbraw/zinc/92/02/70/221920270.db2.gz QDXUDELQPCLKHL-CYBMUJFWSA-N 1 2 331.803 3.729 50 0 EHAALO CCCC(=O)Nc1ccc2c(c1)nc(Cn1cc[nH+]c1)n2CC(C)C ZINC000006665292 563577091 /nfs/dbraw/zinc/57/70/91/563577091.db2.gz PNIOERJFMVBXIA-UHFFFAOYSA-N 1 2 339.443 3.676 50 0 EHAALO C[C@@H]1CCC[C@@H](N2CNC(Nc3nc4ccccc4s3)=[NH+]C2)[C@@H]1C ZINC000009015949 563641541 /nfs/dbraw/zinc/64/15/41/563641541.db2.gz DKVCDNJJRMBTJV-UMVBOHGHSA-N 1 2 343.500 3.709 50 0 EHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCCCC2)cc1Cl ZINC000004354694 563665745 /nfs/dbraw/zinc/66/57/45/563665745.db2.gz ASMPAOCPAUIKFT-UHFFFAOYSA-N 1 2 327.819 3.768 50 0 EHAALO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1nc2ccccc2c(=O)[nH]1 ZINC000013070750 563687209 /nfs/dbraw/zinc/68/72/09/563687209.db2.gz PTNCIBYNECRQNI-NWDGAFQWSA-N 1 2 327.815 3.988 50 0 EHAALO O=C(Cn1cc[nH+]c1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000010809500 563861966 /nfs/dbraw/zinc/86/19/66/563861966.db2.gz AGLULNKQASHXJJ-UHFFFAOYSA-N 1 2 327.771 3.968 50 0 EHAALO CCN(C(=O)CC1CCCCC1)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000072275282 563903154 /nfs/dbraw/zinc/90/31/54/563903154.db2.gz SQJVULTUKOHMHN-IBGZPJMESA-N 1 2 340.471 3.723 50 0 EHAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)c(F)c1 ZINC000043210851 563925267 /nfs/dbraw/zinc/92/52/67/563925267.db2.gz JVYDRSBIPBHAMU-UHFFFAOYSA-N 1 2 333.790 3.542 50 0 EHAALO C[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccnc2ccccc12 ZINC000055060467 563933462 /nfs/dbraw/zinc/93/34/62/563933462.db2.gz DQSNQJUDZPLVPD-UHFFFAOYSA-N 1 2 330.391 3.917 50 0 EHAALO C[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccnc2ccccc12 ZINC000055060467 563933463 /nfs/dbraw/zinc/93/34/63/563933463.db2.gz DQSNQJUDZPLVPD-UHFFFAOYSA-N 1 2 330.391 3.917 50 0 EHAALO CCC[N@H+](Cc1nccn1-c1ccc(OC)cc1)Cc1cccnc1 ZINC000055118841 563933771 /nfs/dbraw/zinc/93/37/71/563933771.db2.gz OCSHQZTXFVNALH-UHFFFAOYSA-N 1 2 336.439 3.688 50 0 EHAALO CCC[N@@H+](Cc1nccn1-c1ccc(OC)cc1)Cc1cccnc1 ZINC000055118841 563933773 /nfs/dbraw/zinc/93/37/73/563933773.db2.gz OCSHQZTXFVNALH-UHFFFAOYSA-N 1 2 336.439 3.688 50 0 EHAALO CCCn1cnnc1C[NH2+]Cc1ccc(O[C@H](C)CC)c(Cl)c1 ZINC000055211231 563934057 /nfs/dbraw/zinc/93/40/57/563934057.db2.gz WFVXABRVFTYXCL-CYBMUJFWSA-N 1 2 336.867 3.809 50 0 EHAALO CC[C@H](C)n1nccc1NC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000055228402 563934064 /nfs/dbraw/zinc/93/40/64/563934064.db2.gz UEWHSNXAUVGMDM-ZDUSSCGKSA-N 1 2 337.427 3.720 50 0 EHAALO Cn1cc[nH+]c1-c1cccc(NC(=O)COc2ccc3c(c2)CCC3)c1 ZINC000058403631 563944954 /nfs/dbraw/zinc/94/49/54/563944954.db2.gz KBNJZQNPZCYBOO-UHFFFAOYSA-N 1 2 347.418 3.593 50 0 EHAALO CC[C@@H](NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)c1ccncc1 ZINC000096434631 563953096 /nfs/dbraw/zinc/95/30/96/563953096.db2.gz QRYJJGCDQLRFFR-QGZVFWFLSA-N 1 2 335.411 3.755 50 0 EHAALO CS[C@@H](C)Cc1c(-c2ccccc2)[nH+]cn1Cc1cnc(C)cn1 ZINC000065426318 563960686 /nfs/dbraw/zinc/96/06/86/563960686.db2.gz ODKXMSDFIXVJOE-HNNXBMFYSA-N 1 2 338.480 3.991 50 0 EHAALO COC(C)(C)Cn1cc[nH+]c1-c1cc(F)ccc1-n1nc(C)cc1C ZINC000067833851 563962801 /nfs/dbraw/zinc/96/28/01/563962801.db2.gz ADJIIKSRIKDIMF-UHFFFAOYSA-N 1 2 342.418 3.917 50 0 EHAALO Cc1ccc(C)c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000069001796 563963383 /nfs/dbraw/zinc/96/33/83/563963383.db2.gz DFDWONDMXGWBSG-RMKNXTFCSA-N 1 2 334.463 3.775 50 0 EHAALO CN(Cc1cccc2ncccc12)C(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000077321831 563968970 /nfs/dbraw/zinc/96/89/70/563968970.db2.gz AYSIGCKXYSYREQ-UHFFFAOYSA-N 1 2 342.402 3.897 50 0 EHAALO Cc1ccc(-c2csc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)n2)cc1 ZINC000096999932 563970948 /nfs/dbraw/zinc/97/09/48/563970948.db2.gz PGMHICQXSNQZMN-CQSZACIVSA-N 1 2 338.436 3.516 50 0 EHAALO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc2cc[nH]c2c1 ZINC000081090817 563971734 /nfs/dbraw/zinc/97/17/34/563971734.db2.gz GNLPYSOTMFVMEX-UHFFFAOYSA-N 1 2 344.418 3.685 50 0 EHAALO C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000016247809 563976187 /nfs/dbraw/zinc/97/61/87/563976187.db2.gz XVICSHBDGZJXDI-PHIMTYICSA-N 1 2 348.668 3.591 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(c2ncnc3ccc(F)cc32)C1 ZINC000585149298 563974166 /nfs/dbraw/zinc/97/41/66/563974166.db2.gz HCJPKBDYMZETQK-OAHLLOKOSA-N 1 2 347.397 3.878 50 0 EHAALO CN(C(=O)c1ccc(Cn2cc[nH+]c2)o1)[C@H]1CCCc2ccccc21 ZINC000091951917 563975914 /nfs/dbraw/zinc/97/59/14/563975914.db2.gz KGQSNTQUKBJYJR-SFHVURJKSA-N 1 2 335.407 3.674 50 0 EHAALO CC[C@H](NC(=O)Cc1c(C)[nH]c2c1cc(C)cc2C)c1[nH]cc(C)[nH+]1 ZINC000092028428 563976032 /nfs/dbraw/zinc/97/60/32/563976032.db2.gz QTCOMOLMXMXUOI-KRWDZBQOSA-N 1 2 338.455 3.935 50 0 EHAALO C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000016247809 563976186 /nfs/dbraw/zinc/97/61/86/563976186.db2.gz XVICSHBDGZJXDI-PHIMTYICSA-N 1 2 348.668 3.591 50 0 EHAALO O=C(NCCn1cc[nH+]c1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000043932307 563976374 /nfs/dbraw/zinc/97/63/74/563976374.db2.gz GEMSWKJCHSMOSY-UHFFFAOYSA-N 1 2 347.378 3.513 50 0 EHAALO C[C@@H](NC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1=CCCCC1 ZINC000096137646 563979471 /nfs/dbraw/zinc/97/94/71/563979471.db2.gz HCMSCURGZCRWNU-MRXNPFEDSA-N 1 2 343.471 3.529 50 0 EHAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCCC[C@H]1c1cccnc1 ZINC000097632101 563981759 /nfs/dbraw/zinc/98/17/59/563981759.db2.gz OXHQASDAKGYBQD-IBGZPJMESA-N 1 2 332.407 3.635 50 0 EHAALO C[N@H+](Cc1ccc([C@H]2CCCCO2)o1)Cc1cnc2ccccn12 ZINC000097759418 563981897 /nfs/dbraw/zinc/98/18/97/563981897.db2.gz SWMLGDPIHDCMKC-QGZVFWFLSA-N 1 2 325.412 3.801 50 0 EHAALO C[N@@H+](Cc1ccc([C@H]2CCCCO2)o1)Cc1cnc2ccccn12 ZINC000097759418 563981898 /nfs/dbraw/zinc/98/18/98/563981898.db2.gz SWMLGDPIHDCMKC-QGZVFWFLSA-N 1 2 325.412 3.801 50 0 EHAALO CCOC(=O)c1nc2ccccc2c(Nc2ccc([NH+](C)C)cc2)n1 ZINC000000145911 563987254 /nfs/dbraw/zinc/98/72/54/563987254.db2.gz QHUKWRVSUCAKIP-UHFFFAOYSA-N 1 2 336.395 3.616 50 0 EHAALO CC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000023675098 563988570 /nfs/dbraw/zinc/98/85/70/563988570.db2.gz AILWYSYIXBZHNO-HNNXBMFYSA-N 1 2 326.415 3.912 50 0 EHAALO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1C ZINC000050447996 563990964 /nfs/dbraw/zinc/99/09/64/563990964.db2.gz MERMRANSOAKBKF-CHWSQXEVSA-N 1 2 344.377 3.692 50 0 EHAALO COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1C ZINC000050447995 563990971 /nfs/dbraw/zinc/99/09/71/563990971.db2.gz MERMRANSOAKBKF-STQMWFEESA-N 1 2 344.377 3.692 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1cccc(Cl)c1 ZINC000018174908 564018532 /nfs/dbraw/zinc/01/85/32/564018532.db2.gz VSELGLGYYSCSJR-UHFFFAOYSA-N 1 2 328.803 3.820 50 0 EHAALO Cc1nc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)cs1 ZINC000048781342 564032228 /nfs/dbraw/zinc/03/22/28/564032228.db2.gz SWMPOMYMBOHEJD-UHFFFAOYSA-N 1 2 329.469 3.870 50 0 EHAALO Cc1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3-c2ccccc2)no1 ZINC000049984847 564032907 /nfs/dbraw/zinc/03/29/07/564032907.db2.gz JUSNMVBVTKHZOQ-UHFFFAOYSA-N 1 2 332.363 3.883 50 0 EHAALO CC[N@H+](CCCNC(=O)/C=C/c1ccc(OC)cc1)c1ccccc1 ZINC000025466787 564054492 /nfs/dbraw/zinc/05/44/92/564054492.db2.gz ZGPPPNKQJUZBNX-NTCAYCPXSA-N 1 2 338.451 3.741 50 0 EHAALO CC[N@@H+](CCCNC(=O)/C=C/c1ccc(OC)cc1)c1ccccc1 ZINC000025466787 564054493 /nfs/dbraw/zinc/05/44/93/564054493.db2.gz ZGPPPNKQJUZBNX-NTCAYCPXSA-N 1 2 338.451 3.741 50 0 EHAALO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1N1CCCC1 ZINC000052710548 564056263 /nfs/dbraw/zinc/05/62/63/564056263.db2.gz YNNNGYZUAYTCIG-UHFFFAOYSA-N 1 2 348.450 3.969 50 0 EHAALO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccccc1N1CCCC1 ZINC000052710548 564056264 /nfs/dbraw/zinc/05/62/64/564056264.db2.gz YNNNGYZUAYTCIG-UHFFFAOYSA-N 1 2 348.450 3.969 50 0 EHAALO Cc1cc2oc(=O)cc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2cc1C(C)C ZINC000012537852 564058407 /nfs/dbraw/zinc/05/84/07/564058407.db2.gz FNOCGLYKNHNNJV-GASCZTMLSA-N 1 2 329.440 3.834 50 0 EHAALO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2cc1C(C)C ZINC000012537852 564058408 /nfs/dbraw/zinc/05/84/08/564058408.db2.gz FNOCGLYKNHNNJV-GASCZTMLSA-N 1 2 329.440 3.834 50 0 EHAALO CCc1ccc(OCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012550892 564059115 /nfs/dbraw/zinc/05/91/15/564059115.db2.gz SXPUSZWTVWHMSU-MRXNPFEDSA-N 1 2 349.434 3.691 50 0 EHAALO CC(C)[C@@H]1C=CCN1C(=O)c1cccc(-c2[nH+]cnc3[nH]ccc32)c1 ZINC000534636229 564061366 /nfs/dbraw/zinc/06/13/66/564061366.db2.gz DDBLKJNBNNRDMU-KRWDZBQOSA-N 1 2 332.407 3.613 50 0 EHAALO O=C(NCCCCCc1[nH]c2ccccc2[nH+]1)NC1CCCCC1 ZINC000263588243 564061884 /nfs/dbraw/zinc/06/18/84/564061884.db2.gz QTECUJBNQWBFFR-UHFFFAOYSA-N 1 2 328.460 3.908 50 0 EHAALO Cc1cc(NC(=O)N2Cc3cccc(Br)c3C2)cc[nH+]1 ZINC000184579164 564063916 /nfs/dbraw/zinc/06/39/16/564063916.db2.gz PYXNNZPOWYVGBM-UHFFFAOYSA-N 1 2 332.201 3.700 50 0 EHAALO Cc1cc(C[S@@](=O)Cc2cn3ccccc3[nH+]2)c2ccccc2n1 ZINC000083953319 564065177 /nfs/dbraw/zinc/06/51/77/564065177.db2.gz LLWOYGSQESFXCH-DEOSSOPVSA-N 1 2 335.432 3.640 50 0 EHAALO C[C@H](NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C)c1ccc(F)cc1 ZINC000012758463 564067271 /nfs/dbraw/zinc/06/72/71/564067271.db2.gz PCBJWMVJTGKHJO-STQMWFEESA-N 1 2 332.444 3.684 50 0 EHAALO C[C@H](NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C)c1ccc(F)cc1 ZINC000012758463 564067272 /nfs/dbraw/zinc/06/72/72/564067272.db2.gz PCBJWMVJTGKHJO-STQMWFEESA-N 1 2 332.444 3.684 50 0 EHAALO Cn1c2c([nH+]c1C1CC1)CN(Cc1ncc(-c3ccccc3)o1)CC2 ZINC000084310946 564067759 /nfs/dbraw/zinc/06/77/59/564067759.db2.gz ZTWYYPVRIWPTJV-UHFFFAOYSA-N 1 2 334.423 3.511 50 0 EHAALO Cc1occc1-c1nnc(SCc2cn3cccc(C)c3[nH+]2)n1C ZINC000006106420 564074149 /nfs/dbraw/zinc/07/41/49/564074149.db2.gz KEYHXJGRKVHRDM-UHFFFAOYSA-N 1 2 339.424 3.632 50 0 EHAALO Cc1nc2ccc(NC(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)cc2o1 ZINC000088350910 564078986 /nfs/dbraw/zinc/07/89/86/564078986.db2.gz FUQAXOSKGJGBJX-AWEZNQCLSA-N 1 2 325.372 3.618 50 0 EHAALO O=C(c1c(F)cccc1Cl)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575605511 564082374 /nfs/dbraw/zinc/08/23/74/564082374.db2.gz KLFMWUZDFSFCAR-ZDUSSCGKSA-N 1 2 334.778 3.558 50 0 EHAALO O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575611715 564082651 /nfs/dbraw/zinc/08/26/51/564082651.db2.gz GUOUYVMAKHGUOW-KRZKXXONSA-N 1 2 342.826 3.818 50 0 EHAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1ccc(F)c(F)c1 ZINC000012997742 564086081 /nfs/dbraw/zinc/08/60/81/564086081.db2.gz NANLFCSDLUDHBW-QGZVFWFLSA-N 1 2 334.341 3.880 50 0 EHAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1ccc(F)c(F)c1 ZINC000012997742 564086082 /nfs/dbraw/zinc/08/60/82/564086082.db2.gz NANLFCSDLUDHBW-QGZVFWFLSA-N 1 2 334.341 3.880 50 0 EHAALO Cc1nnc(C[NH2+][C@](C)(c2ccc(Br)cc2)C(C)C)o1 ZINC000192373009 564090110 /nfs/dbraw/zinc/09/01/10/564090110.db2.gz JOCWORCYFMRERH-HNNXBMFYSA-N 1 2 338.249 3.802 50 0 EHAALO c1sc(C[NH2+]Cc2cccc3c2OCCO3)nc1-c1ccccc1 ZINC000054176220 564090397 /nfs/dbraw/zinc/09/03/97/564090397.db2.gz UFPJRQDDWGVGDG-UHFFFAOYSA-N 1 2 338.432 3.871 50 0 EHAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000089459610 564090709 /nfs/dbraw/zinc/09/07/09/564090709.db2.gz ACIOULHPZJKTMA-MRXNPFEDSA-N 1 2 345.830 3.519 50 0 EHAALO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000089459610 564090710 /nfs/dbraw/zinc/09/07/10/564090710.db2.gz ACIOULHPZJKTMA-MRXNPFEDSA-N 1 2 345.830 3.519 50 0 EHAALO CCC[C@H](NC(=O)N(CCC)Cc1[nH+]ccn1C)c1ccccc1 ZINC000426549846 564094117 /nfs/dbraw/zinc/09/41/17/564094117.db2.gz AGAWUIMMJNFKPG-KRWDZBQOSA-N 1 2 328.460 3.883 50 0 EHAALO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000007039228 564103501 /nfs/dbraw/zinc/10/35/01/564103501.db2.gz MLLAUWFSRBPANA-INIZCTEOSA-N 1 2 335.810 3.593 50 0 EHAALO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000007039228 564103502 /nfs/dbraw/zinc/10/35/02/564103502.db2.gz MLLAUWFSRBPANA-INIZCTEOSA-N 1 2 335.810 3.593 50 0 EHAALO Cc1cncc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000372511505 564105772 /nfs/dbraw/zinc/10/57/72/564105772.db2.gz GZUCNEMZIDSGIY-QGZVFWFLSA-N 1 2 334.366 3.565 50 0 EHAALO Cc1cncc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000372511505 564105773 /nfs/dbraw/zinc/10/57/73/564105773.db2.gz GZUCNEMZIDSGIY-QGZVFWFLSA-N 1 2 334.366 3.565 50 0 EHAALO CC1CC[NH+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CC1 ZINC000007285475 564106430 /nfs/dbraw/zinc/10/64/30/564106430.db2.gz YRYDWRZEDCHGBQ-UHFFFAOYSA-N 1 2 339.464 3.884 50 0 EHAALO Cc1csc(C2([NH2+]Cc3cn4c(cccc4C)n3)CCCC2)n1 ZINC000089689092 564113129 /nfs/dbraw/zinc/11/31/29/564113129.db2.gz SYOCASMCETWSCX-UHFFFAOYSA-N 1 2 326.469 3.967 50 0 EHAALO Cc1nc2cc(NC(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)ccc2o1 ZINC000089721671 564113412 /nfs/dbraw/zinc/11/34/12/564113412.db2.gz ILXTULUOHRFUQM-AWEZNQCLSA-N 1 2 325.372 3.618 50 0 EHAALO FC(F)(F)c1ccc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nn1 ZINC000089866481 564114446 /nfs/dbraw/zinc/11/44/46/564114446.db2.gz JQDTUDIELNFQJT-UHFFFAOYSA-N 1 2 347.344 3.756 50 0 EHAALO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)Nc1ccc(F)cc1F ZINC000007651150 564121506 /nfs/dbraw/zinc/12/15/06/564121506.db2.gz UPZHXYDFDKDLRK-UHFFFAOYSA-N 1 2 328.362 3.693 50 0 EHAALO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)Nc1ccc(F)cc1F ZINC000007651150 564121507 /nfs/dbraw/zinc/12/15/07/564121507.db2.gz UPZHXYDFDKDLRK-UHFFFAOYSA-N 1 2 328.362 3.693 50 0 EHAALO C[C@@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007738224 564122521 /nfs/dbraw/zinc/12/25/21/564122521.db2.gz AFBGEIORLJGYPJ-MRXNPFEDSA-N 1 2 331.419 3.781 50 0 EHAALO CC(C)[C@@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccc2c(c1)OCCO2 ZINC000253419228 564130949 /nfs/dbraw/zinc/13/09/49/564130949.db2.gz HLAWQIRBEHZRIK-LJQANCHMSA-N 1 2 328.412 3.810 50 0 EHAALO CSc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000253431501 564131831 /nfs/dbraw/zinc/13/18/31/564131831.db2.gz RDPGRBSANJTJEM-ZBFHGGJFSA-N 1 2 344.484 3.540 50 0 EHAALO Cc1cc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc[nH+]1 ZINC000079001824 564137616 /nfs/dbraw/zinc/13/76/16/564137616.db2.gz GPYZQOFTLCQLGW-UHFFFAOYSA-N 1 2 330.815 3.730 50 0 EHAALO Cc1ccc(NC(=O)Cn2cc[nH+]c2-c2cccnc2)cc1Cl ZINC000095350573 564139208 /nfs/dbraw/zinc/13/92/08/564139208.db2.gz HQRABMHEQVOSMP-UHFFFAOYSA-N 1 2 326.787 3.546 50 0 EHAALO OCc1cc2ccccc2nc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000095409103 564139629 /nfs/dbraw/zinc/13/96/29/564139629.db2.gz LDACMOBWCXODTD-UHFFFAOYSA-N 1 2 344.418 3.584 50 0 EHAALO Cc1n[nH]c(C)c1CCC(=O)Nc1ccc2c(c1)[nH+]c(C(C)C)n2C ZINC000095474050 564141347 /nfs/dbraw/zinc/14/13/47/564141347.db2.gz VUPWVCNBFQGGEX-UHFFFAOYSA-N 1 2 339.443 3.608 50 0 EHAALO Clc1ccc(CN2CCc3c([nH+]cn3C3CC3)C2)c2ncccc12 ZINC000095950595 564142354 /nfs/dbraw/zinc/14/23/54/564142354.db2.gz ARIIERCXLAQHCS-UHFFFAOYSA-N 1 2 338.842 3.978 50 0 EHAALO CC(C)n1cc[nH+]c1CNc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000095965288 564142931 /nfs/dbraw/zinc/14/29/31/564142931.db2.gz VKCGZCPBCWXGRY-HNNXBMFYSA-N 1 2 333.407 3.773 50 0 EHAALO C[C@H](C(=O)Nc1ccccc1C(C)(C)C)[N@@H+]1CCOC2(CCC2)C1 ZINC000095980473 564143707 /nfs/dbraw/zinc/14/37/07/564143707.db2.gz UWKVMZAWMMKYDM-OAHLLOKOSA-N 1 2 330.472 3.566 50 0 EHAALO C[C@H](C(=O)Nc1ccccc1C(C)(C)C)[N@H+]1CCOC2(CCC2)C1 ZINC000095980473 564143708 /nfs/dbraw/zinc/14/37/08/564143708.db2.gz UWKVMZAWMMKYDM-OAHLLOKOSA-N 1 2 330.472 3.566 50 0 EHAALO CN(C)c1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000096415953 564147746 /nfs/dbraw/zinc/14/77/46/564147746.db2.gz VCWPPGMYJPERCG-LBPRGKRZSA-N 1 2 347.850 3.541 50 0 EHAALO O=C(C=C(C1CC1)C1CC1)Nc1cccc(OCCn2cc[nH+]c2)c1 ZINC000055420803 564149847 /nfs/dbraw/zinc/14/98/47/564149847.db2.gz CJRWIPYJTOHRKQ-UHFFFAOYSA-N 1 2 337.423 3.647 50 0 EHAALO CCCC[NH2+][C@@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl ZINC000028294028 564150927 /nfs/dbraw/zinc/15/09/27/564150927.db2.gz MGTLWPAYMDHKEY-HBWSCVEGSA-N 1 2 349.689 3.902 50 0 EHAALO CC(C)CCSCC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000056390847 564152362 /nfs/dbraw/zinc/15/23/62/564152362.db2.gz SZWNNLMZJVXCRF-QGZVFWFLSA-N 1 2 349.475 3.544 50 0 EHAALO O=c1c2ccccc2nc(SCc2cn3ccccc3[nH+]2)n1C1CC1 ZINC000002802374 564152732 /nfs/dbraw/zinc/15/27/32/564152732.db2.gz NJDWRJCXUDSLLC-UHFFFAOYSA-N 1 2 348.431 3.671 50 0 EHAALO CCC[NH+](CCC)Cn1nc(-c2ccc3c(c2)OCO3)oc1=S ZINC000003229025 564156331 /nfs/dbraw/zinc/15/63/31/564156331.db2.gz ZTKUZWMWOJYBKU-UHFFFAOYSA-N 1 2 335.429 3.681 50 0 EHAALO COc1cccc(NC(=O)[C@@H]([NH2+]Cc2ccccn2)c2ccccc2)c1 ZINC000008657396 564166224 /nfs/dbraw/zinc/16/62/24/564166224.db2.gz TULMJBWVWYJNCQ-FQEVSTJZSA-N 1 2 347.418 3.560 50 0 EHAALO Cn1cc[nH+]c1[C@@H](Nc1ncnc2ccsc21)c1ccccc1F ZINC000008725512 564167004 /nfs/dbraw/zinc/16/70/04/564167004.db2.gz UOFRSMODJMSSRX-AWEZNQCLSA-N 1 2 339.399 3.765 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)CCC1CCCC1)c1ccccc1F ZINC000040475583 564169776 /nfs/dbraw/zinc/16/97/76/564169776.db2.gz NEUNBSYXRNIQNX-GOSISDBHSA-N 1 2 329.419 3.735 50 0 EHAALO C[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009156588 564170662 /nfs/dbraw/zinc/17/06/62/564170662.db2.gz JHXOYTIFFROOMO-CQSZACIVSA-N 1 2 339.826 3.946 50 0 EHAALO O=C(c1ccnc(Oc2ccccc2)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069660212 564171303 /nfs/dbraw/zinc/17/13/03/564171303.db2.gz WNGXZHXPIMMPKM-KRWDZBQOSA-N 1 2 348.406 3.548 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccccc1F)c1cccc(F)c1 ZINC000009338040 564172745 /nfs/dbraw/zinc/17/27/45/564172745.db2.gz VJOQNHYXRJHMRU-MRXNPFEDSA-N 1 2 342.349 3.609 50 0 EHAALO Cc1occc1-c1nnc(SCc2cn3cc(C)ccc3[nH+]2)n1C ZINC000009467348 564173778 /nfs/dbraw/zinc/17/37/78/564173778.db2.gz ZLHVBBAEMOARGX-UHFFFAOYSA-N 1 2 339.424 3.632 50 0 EHAALO COc1ccc(-n2ccnc2SCc2cn3ccccc3[nH+]2)cc1 ZINC000009467242 564173805 /nfs/dbraw/zinc/17/38/05/564173805.db2.gz XQKXREBRBNVMHR-UHFFFAOYSA-N 1 2 336.420 3.821 50 0 EHAALO Fc1ccc2c(c1)CCC[C@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000182886654 1125387844 /nfs/dbraw/zinc/38/78/44/1125387844.db2.gz PEIPQIFPSHVLDB-GOSISDBHSA-N 1 2 327.403 3.547 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1CCNC(=O)[C@H](C)c1ccccc1 ZINC000581813062 1132366045 /nfs/dbraw/zinc/36/60/45/1132366045.db2.gz QKWRJJIOILFDQP-QGZVFWFLSA-N 1 2 333.435 3.778 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCN(C(=O)c2cccnc2C)C1 ZINC000581807194 1132370107 /nfs/dbraw/zinc/37/01/07/1132370107.db2.gz FVBANDLAGZDRKA-SFHVURJKSA-N 1 2 346.434 3.649 50 0 EHAALO Cc1c[nH+]c(-c2ccncc2)n1[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000581808010 1132371089 /nfs/dbraw/zinc/37/10/89/1132371089.db2.gz RDLHVXPHCDEWEM-GOSISDBHSA-N 1 2 338.455 3.607 50 0 EHAALO OCC[C@H]1CN(CCCC2CCCC2)CC[N@@H+]1Cc1cccs1 ZINC000200583482 1133898544 /nfs/dbraw/zinc/89/85/44/1133898544.db2.gz FNKSPMZVRZKNPM-SFHVURJKSA-N 1 2 336.545 3.587 50 0 EHAALO OCC[C@H]1CN(CCCC2CCCC2)CC[N@H+]1Cc1cccs1 ZINC000200583482 1133898549 /nfs/dbraw/zinc/89/85/49/1133898549.db2.gz FNKSPMZVRZKNPM-SFHVURJKSA-N 1 2 336.545 3.587 50 0 EHAALO C/C(=C\C(=O)N[C@H](C)Cn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000222168590 1138246231 /nfs/dbraw/zinc/24/62/31/1138246231.db2.gz TXDYKDUCEKGTEU-BGIXKYGVSA-N 1 2 327.472 3.551 50 0 EHAALO CCCCC12CN3CC(C)(C[N@H+](C1)C3c1c[nH]c3ccccc31)C2=O ZINC000019320084 202004708 /nfs/dbraw/zinc/00/47/08/202004708.db2.gz SZRSIATVIOGPPD-UHFFFAOYSA-N 1 2 337.467 3.563 50 0 biogenic EHAALO CCCCC12CN3CC(C)(C[N@@H+](C1)C3c1c[nH]c3ccccc31)C2=O ZINC000019320084 202004712 /nfs/dbraw/zinc/00/47/12/202004712.db2.gz SZRSIATVIOGPPD-UHFFFAOYSA-N 1 2 337.467 3.563 50 0 biogenic EHAALO CCSc1nc2sc3c(c2c(SCC)n1)CC[N@@H+](C)C3 ZINC000019758916 202019987 /nfs/dbraw/zinc/01/99/87/202019987.db2.gz GNDWBHASIUDOKH-UHFFFAOYSA-N 1 2 325.528 3.903 50 0 EHAALO CCSc1nc2sc3c(c2c(SCC)n1)CC[N@H+](C)C3 ZINC000019758916 202019989 /nfs/dbraw/zinc/01/99/89/202019989.db2.gz GNDWBHASIUDOKH-UHFFFAOYSA-N 1 2 325.528 3.903 50 0 EHAALO O=C(c1cc2ccccc2o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019944608 202027565 /nfs/dbraw/zinc/02/75/65/202027565.db2.gz RDVBCSJDRFLNJE-RMKNXTFCSA-N 1 2 346.430 3.904 50 0 EHAALO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1coc(-c2ccccc2)n1 ZINC000021196846 202063480 /nfs/dbraw/zinc/06/34/80/202063480.db2.gz CGXRFVZJBHEBSD-AWEZNQCLSA-N 1 2 348.406 3.532 50 0 EHAALO Cc1[nH]c([C@H]2CC(=O)N(C3CCCC3)C2)[nH+]c1-c1ccccc1F ZINC000023311992 202101872 /nfs/dbraw/zinc/10/18/72/202101872.db2.gz MWRIEMLYXXUQRK-ZDUSSCGKSA-N 1 2 327.403 3.783 50 0 EHAALO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000023748552 202108184 /nfs/dbraw/zinc/10/81/84/202108184.db2.gz DXMSYXLFNFNHKC-AWEZNQCLSA-N 1 2 326.465 3.794 50 0 EHAALO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000023748552 202108188 /nfs/dbraw/zinc/10/81/88/202108188.db2.gz DXMSYXLFNFNHKC-AWEZNQCLSA-N 1 2 326.465 3.794 50 0 EHAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCc3ccco3)n2)C1 ZINC000028685359 202175264 /nfs/dbraw/zinc/17/52/64/202175264.db2.gz XRXGTCWNCIZOKD-ZDUSSCGKSA-N 1 2 333.457 3.539 50 0 EHAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCc3ccco3)n2)C1 ZINC000028685359 202175268 /nfs/dbraw/zinc/17/52/68/202175268.db2.gz XRXGTCWNCIZOKD-ZDUSSCGKSA-N 1 2 333.457 3.539 50 0 EHAALO C[C@H](NC(=O)Cc1ccc2c(c1)CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000032674401 202230153 /nfs/dbraw/zinc/23/01/53/202230153.db2.gz DAJJXTYLGSQILD-INIZCTEOSA-N 1 2 345.446 3.781 50 0 EHAALO CCCCC(=O)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1 ZINC000033084512 202249721 /nfs/dbraw/zinc/24/97/21/202249721.db2.gz JEBVCLZBEWVZPY-UHFFFAOYSA-N 1 2 327.428 3.509 50 0 EHAALO O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000070011584 202302599 /nfs/dbraw/zinc/30/25/99/202302599.db2.gz DSPUQJITLUXNBQ-CQSZACIVSA-N 1 2 339.370 3.760 50 0 EHAALO Cc1ccc(-c2csc3[nH]c(C[NH+]4CCCC4)nc(=O)c23)cc1C ZINC000036203702 202319245 /nfs/dbraw/zinc/31/92/45/202319245.db2.gz IRLJQPVGRZLOOZ-UHFFFAOYSA-N 1 2 339.464 3.864 50 0 EHAALO Cc1csc([C@@H](C)NC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)n1 ZINC000077447096 202393529 /nfs/dbraw/zinc/39/35/29/202393529.db2.gz NJLGQPUEKXPOKF-GFCCVEGCSA-N 1 2 341.440 3.735 50 0 EHAALO Cc1[nH+]c2n(c1C)CCN(Cc1c(Cl)ccc3cccnc31)C2 ZINC000065473391 201153569 /nfs/dbraw/zinc/15/35/69/201153569.db2.gz VIAFGXIUZMRXFK-UHFFFAOYSA-N 1 2 326.831 3.717 50 0 EHAALO Cn1ncc2c1nc(NCc1ccccc1)[nH+]c2NCc1ccccc1 ZINC000004374942 201359994 /nfs/dbraw/zinc/35/99/94/201359994.db2.gz HLODUTUGQMIMSR-UHFFFAOYSA-N 1 2 344.422 3.588 50 0 EHAALO CSCCN1CC[NH+](Cc2ccc(-c3ccc(C)o3)cc2)CC1 ZINC000215278736 241116261 /nfs/dbraw/zinc/11/62/61/241116261.db2.gz FICNUOZYTNGSRR-UHFFFAOYSA-N 1 2 330.497 3.736 50 0 EHAALO Cc1ccc(-c2cccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2)o1 ZINC000215816685 241147714 /nfs/dbraw/zinc/14/77/14/241147714.db2.gz ATOHQIIXQBQASE-QGZVFWFLSA-N 1 2 335.407 3.998 50 0 EHAALO COc1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)c2ccc(C)nc12 ZINC000216495389 241198866 /nfs/dbraw/zinc/19/88/66/241198866.db2.gz XHZZRQOMVBQLRJ-UHFFFAOYSA-N 1 2 330.391 3.859 50 0 EHAALO CN(CCSc1ccccc1)C(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000215584128 241134945 /nfs/dbraw/zinc/13/49/45/241134945.db2.gz OXSAZTDRVFEBJI-UHFFFAOYSA-N 1 2 337.448 3.941 50 0 EHAALO Nc1cccc(CSc2nnc(COc3ccccc3Cl)o2)[nH+]1 ZINC000225449205 241869062 /nfs/dbraw/zinc/86/90/62/241869062.db2.gz OANYBJUNFNOEON-UHFFFAOYSA-N 1 2 348.815 3.572 50 0 EHAALO O=C(CCn1cc[nH+]c1)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000069559735 203018240 /nfs/dbraw/zinc/01/82/40/203018240.db2.gz ANPOYMFCQMTCND-QGZVFWFLSA-N 1 2 345.855 3.894 50 0 EHAALO COc1c(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c(C)nn1C ZINC000069843702 203055865 /nfs/dbraw/zinc/05/58/65/203055865.db2.gz NWCJFXRNAGRZJM-IBGZPJMESA-N 1 2 339.414 3.755 50 0 EHAALO COc1ccc(OC)c(C[NH2+]Cc2nc3ccccc3n2C(C)C)c1 ZINC000069774788 203047528 /nfs/dbraw/zinc/04/75/28/203047528.db2.gz UMSRVAPLGCAHBI-UHFFFAOYSA-N 1 2 339.439 3.924 50 0 EHAALO c1nc(CN(Cc2cocn2)Cc2c[nH+]cn2C2CCCCC2)co1 ZINC000252497015 243813462 /nfs/dbraw/zinc/81/34/62/243813462.db2.gz PXKHTVOBZQHYDI-UHFFFAOYSA-N 1 2 341.415 3.567 50 0 EHAALO C[C@@H](CCNC(=O)c1ccc(N2CCCC2)c(Cl)c1)n1cc[nH+]c1 ZINC000252508647 243835112 /nfs/dbraw/zinc/83/51/12/243835112.db2.gz XQGJOYOMUZMTAO-AWEZNQCLSA-N 1 2 346.862 3.518 50 0 EHAALO Cc1ccc(-c2ccnc(NCc3c[nH+]cn3CC(C)C)n2)c(C)n1 ZINC000071774797 203111643 /nfs/dbraw/zinc/11/16/43/203111643.db2.gz ZKLHXXSBLPHWGK-UHFFFAOYSA-N 1 2 336.443 3.620 50 0 EHAALO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1c(Cl)nc2sccn12 ZINC000071614291 203101094 /nfs/dbraw/zinc/10/10/94/203101094.db2.gz XCQNJYZIWYUCDW-NSHDSACASA-N 1 2 336.848 3.991 50 0 EHAALO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1c(Cl)nc2sccn12 ZINC000071614291 203101098 /nfs/dbraw/zinc/10/10/98/203101098.db2.gz XCQNJYZIWYUCDW-NSHDSACASA-N 1 2 336.848 3.991 50 0 EHAALO O=C(C1CC1)N1CCC[C@H](Cn2cc[nH+]c2-c2ccc3occc3c2)C1 ZINC000071746461 203104494 /nfs/dbraw/zinc/10/44/94/203104494.db2.gz AFBXFXUQUFMMSS-OAHLLOKOSA-N 1 2 349.434 3.945 50 0 EHAALO C[C@@H]([NH2+]Cc1ccccc1OC1CCCC1)c1nnc2ccccn21 ZINC000071825185 203121055 /nfs/dbraw/zinc/12/10/55/203121055.db2.gz ZDPUGYKKOUZIPR-OAHLLOKOSA-N 1 2 336.439 3.902 50 0 EHAALO CCn1c2ccccc2[nH+]c1CCNc1cc(C(C)C)nc2ccnn21 ZINC000072148881 203170826 /nfs/dbraw/zinc/17/08/26/203170826.db2.gz NVEYVSIEGBGHNZ-UHFFFAOYSA-N 1 2 348.454 3.877 50 0 EHAALO C[C@@H]1C[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@H](C)O1 ZINC000075105630 203301387 /nfs/dbraw/zinc/30/13/87/203301387.db2.gz MEPTVDCFVQDTLD-FCEWJHQRSA-N 1 2 349.434 3.935 50 0 EHAALO C[C@@H]1C[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@H](C)O1 ZINC000075105630 203301388 /nfs/dbraw/zinc/30/13/88/203301388.db2.gz MEPTVDCFVQDTLD-FCEWJHQRSA-N 1 2 349.434 3.935 50 0 EHAALO Cc1c2ccc(C)c(C)c2oc1C(=O)NCC1(Cn2cc[nH+]c2)CC1 ZINC000077423589 203387313 /nfs/dbraw/zinc/38/73/13/203387313.db2.gz RHHUXPXSAOGOCC-UHFFFAOYSA-N 1 2 337.423 3.765 50 0 EHAALO Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077423666 203387680 /nfs/dbraw/zinc/38/76/80/203387680.db2.gz UOBAUJJYNGWAKS-KRWDZBQOSA-N 1 2 346.434 3.800 50 0 EHAALO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000077488778 203391714 /nfs/dbraw/zinc/39/17/14/203391714.db2.gz PTSUCYXXDZFYLC-AWEZNQCLSA-N 1 2 326.425 3.839 50 0 EHAALO Cc1ncsc1C[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000077488778 203391717 /nfs/dbraw/zinc/39/17/17/203391717.db2.gz PTSUCYXXDZFYLC-AWEZNQCLSA-N 1 2 326.425 3.839 50 0 EHAALO Cc1nc(Cn2ccc(-c3cccc(-c4[nH+]ccn4C)c3)n2)cs1 ZINC000019301055 212014358 /nfs/dbraw/zinc/01/43/58/212014358.db2.gz SHEXMOYFZPYEOW-UHFFFAOYSA-N 1 2 335.436 3.764 50 0 EHAALO Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000128970351 205171821 /nfs/dbraw/zinc/17/18/21/205171821.db2.gz CRGPZTNFPXCHBH-IBGZPJMESA-N 1 2 346.434 3.943 50 0 EHAALO c1ccc(-c2nc(C[NH2+]C3(c4ccccc4)CCOCC3)no2)cc1 ZINC000095397359 218330084 /nfs/dbraw/zinc/33/00/84/218330084.db2.gz RRGGOHKZINXIRZ-UHFFFAOYSA-N 1 2 335.407 3.532 50 0 EHAALO O=C(N[C@H](c1ccccc1)C1CCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000096404208 218753835 /nfs/dbraw/zinc/75/38/35/218753835.db2.gz MZICHPBSUDFHSF-QZTJIDSGSA-N 1 2 338.455 3.840 50 0 EHAALO Cc1cc(F)cc(NC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC000299758454 258076349 /nfs/dbraw/zinc/07/63/49/258076349.db2.gz LGHMIXKWACHTAO-UHFFFAOYSA-N 1 2 329.375 3.604 50 0 EHAALO CC[C@@H]1C[N@H+](Cc2nc3ccccc3[nH]2)Cc2cc(OC)ccc2O1 ZINC000299760246 258077078 /nfs/dbraw/zinc/07/70/78/258077078.db2.gz DXBAWFZNKCYVCV-OAHLLOKOSA-N 1 2 337.423 3.745 50 0 EHAALO CC[C@@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)Cc2cc(OC)ccc2O1 ZINC000299760246 258077079 /nfs/dbraw/zinc/07/70/79/258077079.db2.gz DXBAWFZNKCYVCV-OAHLLOKOSA-N 1 2 337.423 3.745 50 0 EHAALO COc1ccc(OC)c(C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000055543281 132195481 /nfs/dbraw/zinc/19/54/81/132195481.db2.gz OIMRENCWUYMGSG-UHFFFAOYSA-N 1 2 346.858 3.679 50 0 EHAALO C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2c[nH+]c3n2CCC3)cc1 ZINC000085471586 262501696 /nfs/dbraw/zinc/50/16/96/262501696.db2.gz XZBBJGJCYGQVAU-OAHLLOKOSA-N 1 2 347.418 3.902 50 0 EHAALO O=C(Nc1ccsc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000191409676 534440665 /nfs/dbraw/zinc/44/06/65/534440665.db2.gz NLMIMJAALROVOW-UHFFFAOYSA-N 1 2 328.397 3.668 50 0 EHAALO CCOc1cc(C[NH+]2CCN(c3ccccc3Cl)CC2)ccc1O ZINC000055542971 535672603 /nfs/dbraw/zinc/67/26/03/535672603.db2.gz KJSJFUGCJJKZHQ-UHFFFAOYSA-N 1 2 346.858 3.767 50 0 EHAALO COc1cccc2c1OCCC[N@H+](Cc1csc(C(C)=O)c1)C2 ZINC000215277057 536960494 /nfs/dbraw/zinc/96/04/94/536960494.db2.gz DSVYFJYRIPXAJS-UHFFFAOYSA-N 1 2 331.437 3.744 50 0 EHAALO COc1cccc2c1OCCC[N@@H+](Cc1csc(C(C)=O)c1)C2 ZINC000215277057 536960498 /nfs/dbraw/zinc/96/04/98/536960498.db2.gz DSVYFJYRIPXAJS-UHFFFAOYSA-N 1 2 331.437 3.744 50 0 EHAALO CCCCc1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000006698550 563578952 /nfs/dbraw/zinc/57/89/52/563578952.db2.gz PCOYSSGTCPHUQN-UHFFFAOYSA-N 1 2 341.455 3.972 50 0 EHAALO Cn1c2ccccc2[nH+]c1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000002707561 563603685 /nfs/dbraw/zinc/60/36/85/563603685.db2.gz UGLOEWLVFXLWLL-UHFFFAOYSA-N 1 2 326.831 3.553 50 0 EHAALO O=C1N(CCCc2ccccc2)CCC[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000011769396 563650631 /nfs/dbraw/zinc/65/06/31/563650631.db2.gz OIOFAAHZYKRNPP-QFIPXVFZSA-N 1 2 349.478 3.533 50 0 EHAALO CCCc1noc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000011933667 563652204 /nfs/dbraw/zinc/65/22/04/563652204.db2.gz ABQJMRLSYGLMHZ-UHFFFAOYSA-N 1 2 326.400 3.543 50 0 EHAALO C[C@@H](NC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1)c1ccccc1 ZINC000012093864 563653525 /nfs/dbraw/zinc/65/35/25/563653525.db2.gz ROJAUHWDIPNZTF-MRXNPFEDSA-N 1 2 349.434 3.798 50 0 EHAALO C[C@@H](NC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1)c1ccccc1 ZINC000012093864 563653529 /nfs/dbraw/zinc/65/35/29/563653529.db2.gz ROJAUHWDIPNZTF-MRXNPFEDSA-N 1 2 349.434 3.798 50 0 EHAALO Cc1ccc([C@@H]([NH2+][C@H](C(N)=O)c2ccccc2)c2ccccc2)cc1 ZINC000012981810 563681544 /nfs/dbraw/zinc/68/15/44/563681544.db2.gz HYRDOQAHVODSKV-SFTDATJTSA-N 1 2 330.431 3.901 50 0 EHAALO O=C(CCCc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013324290 563694633 /nfs/dbraw/zinc/69/46/33/563694633.db2.gz CSCCCXVRKJRAJE-RIYZIHGNSA-N 1 2 348.490 3.867 50 0 EHAALO Cc1c(C)n(-c2cccc(C)n2)c2nc[nH+]c(NCc3ccccn3)c12 ZINC000013692433 563712485 /nfs/dbraw/zinc/71/24/85/563712485.db2.gz SQSDUERRCXFKFF-UHFFFAOYSA-N 1 2 344.422 3.748 50 0 EHAALO Cn1c(C2CC2)nn(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)c1=S ZINC000014138110 563744443 /nfs/dbraw/zinc/74/44/43/563744443.db2.gz AHDGIGNUKWQUJA-UHFFFAOYSA-N 1 2 346.544 3.934 50 0 EHAALO Cn1c(C2CC2)nn(C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)c1=S ZINC000014138110 563744445 /nfs/dbraw/zinc/74/44/45/563744445.db2.gz AHDGIGNUKWQUJA-UHFFFAOYSA-N 1 2 346.544 3.934 50 0 EHAALO Cc1scc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1C ZINC000016604759 563816984 /nfs/dbraw/zinc/81/69/84/563816984.db2.gz QSLCZSNADCGLBH-UHFFFAOYSA-N 1 2 348.899 3.976 50 0 EHAALO CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N@@H+](C)[C@H]12 ZINC000052968892 563932538 /nfs/dbraw/zinc/93/25/38/563932538.db2.gz PBHFNBQPZCRWQP-QUCCMNQESA-N 1 2 337.423 3.667 50 0 investigational EHAALO CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N@H+](C)[C@H]12 ZINC000052968892 563932540 /nfs/dbraw/zinc/93/25/40/563932540.db2.gz PBHFNBQPZCRWQP-QUCCMNQESA-N 1 2 337.423 3.667 50 0 investigational EHAALO Cc1cc2ccccc2n1CCC(=O)NCc1c[nH+]cn1CC(C)C ZINC000055166039 563933874 /nfs/dbraw/zinc/93/38/74/563933874.db2.gz SDGZXLVVIDALJY-UHFFFAOYSA-N 1 2 338.455 3.509 50 0 EHAALO CCc1noc([C@H](C)[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)n1 ZINC000058292579 563941885 /nfs/dbraw/zinc/94/18/85/563941885.db2.gz SMUPYPVSBGLKJF-NSHDSACASA-N 1 2 349.381 3.566 50 0 EHAALO COc1ccc(C)c(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000096468776 563954460 /nfs/dbraw/zinc/95/44/60/563954460.db2.gz SWFFOFCIPMGPGY-UHFFFAOYSA-N 1 2 336.395 3.511 50 0 EHAALO Oc1cccc(-c2[nH+]ccn2CCc2nc(-c3ccccc3)no2)c1 ZINC000067588146 563962375 /nfs/dbraw/zinc/96/23/75/563962375.db2.gz YAAWRMNRWVOUOD-UHFFFAOYSA-N 1 2 332.363 3.548 50 0 EHAALO O=C(Cn1c2ccccc2[nH+]c1C1CC1)N1CCC[C@@H]1c1ccccn1 ZINC000067726024 563962605 /nfs/dbraw/zinc/96/26/05/563962605.db2.gz LRVFMAMTZLDBSW-GOSISDBHSA-N 1 2 346.434 3.672 50 0 EHAALO CCOc1cc(-c2[nH+]ccn2-c2ccc(NC(C)=O)cc2)ccc1O ZINC000067965135 563963129 /nfs/dbraw/zinc/96/31/29/563963129.db2.gz QPKHDWVTCNFRBZ-UHFFFAOYSA-N 1 2 337.379 3.602 50 0 EHAALO COc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000097080847 563967227 /nfs/dbraw/zinc/96/72/27/563967227.db2.gz YMUSZVIHHDFCTH-IBGZPJMESA-N 1 2 348.450 3.828 50 0 EHAALO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@H]1c1nncn1C ZINC000097080847 563967228 /nfs/dbraw/zinc/96/72/28/563967228.db2.gz YMUSZVIHHDFCTH-IBGZPJMESA-N 1 2 348.450 3.828 50 0 EHAALO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2CCC(F)(F)CC2)CC1 ZINC000097143202 563968245 /nfs/dbraw/zinc/96/82/45/563968245.db2.gz PDRBNRSEEMVEPQ-ZDUSSCGKSA-N 1 2 342.455 3.779 50 0 EHAALO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000098013897 563971101 /nfs/dbraw/zinc/97/11/01/563971101.db2.gz RXJOYOFOLXDJPT-QAPCUYQASA-N 1 2 326.396 3.505 50 0 EHAALO CCOc1cccc(C(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)c1 ZINC000091494661 563975472 /nfs/dbraw/zinc/97/54/72/563975472.db2.gz URFRGDRBHFRERE-UHFFFAOYSA-N 1 2 341.455 3.883 50 0 EHAALO Cc1ccc(F)c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1Cl ZINC000091665377 563975677 /nfs/dbraw/zinc/97/56/77/563975677.db2.gz FMEBNNMWKXLULC-LBPRGKRZSA-N 1 2 335.810 3.541 50 0 EHAALO Cc1noc(Cl)c1CCC(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000132270229 563976160 /nfs/dbraw/zinc/97/61/60/563976160.db2.gz UPURRNZJGOUZMQ-UHFFFAOYSA-N 1 2 337.807 3.780 50 0 EHAALO Cc1cccc(CC(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)c1 ZINC000095525274 563977456 /nfs/dbraw/zinc/97/74/56/563977456.db2.gz DJOLBKOUNAKJAS-GOSISDBHSA-N 1 2 325.456 3.721 50 0 EHAALO COc1cccc([C@@H]2CCN2C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000097506034 563981618 /nfs/dbraw/zinc/98/16/18/563981618.db2.gz HXXRKSQPGIYFFT-SFHVURJKSA-N 1 2 333.391 3.673 50 0 EHAALO C[C@H]1c2cc(F)ccc2CCN1C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097758013 563981871 /nfs/dbraw/zinc/98/18/71/563981871.db2.gz ZARRJTPYVYOYEF-ZDUSSCGKSA-N 1 2 335.382 3.975 50 0 EHAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000000307173 563990873 /nfs/dbraw/zinc/99/08/73/563990873.db2.gz AIEJWMXDWGPCOQ-AWEZNQCLSA-N 1 2 330.815 3.692 50 0 EHAALO O=C(NCc1ccc(Cl)cc1F)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000187874131 563994158 /nfs/dbraw/zinc/99/41/58/563994158.db2.gz AQKQSWYBHYLKPU-CQSZACIVSA-N 1 2 336.798 3.639 50 0 EHAALO CCn1cc(C[N@H+](C)Cc2cnc(C3CCCCC3)nc2)c(C)n1 ZINC000426488277 563995809 /nfs/dbraw/zinc/99/58/09/563995809.db2.gz PSCDUKBEAXEFSN-UHFFFAOYSA-N 1 2 327.476 3.681 50 0 EHAALO CCn1cc(C[N@@H+](C)Cc2cnc(C3CCCCC3)nc2)c(C)n1 ZINC000426488277 563995810 /nfs/dbraw/zinc/99/58/10/563995810.db2.gz PSCDUKBEAXEFSN-UHFFFAOYSA-N 1 2 327.476 3.681 50 0 EHAALO O=C1N(CC2CC2)C2(CCC(C(F)(F)F)CC2)[NH2+]C12CCCC2 ZINC000164325230 564013836 /nfs/dbraw/zinc/01/38/36/564013836.db2.gz RVDBOICXMVPHFF-UHFFFAOYSA-N 1 2 330.394 3.590 50 0 EHAALO Cc1cc(N2CCO[C@H](c3ccc(F)cc3F)C2)nc(C2CC2)[nH+]1 ZINC000189269431 564015045 /nfs/dbraw/zinc/01/50/45/564015045.db2.gz HFHVHIONUFRDSP-INIZCTEOSA-N 1 2 331.366 3.519 50 0 EHAALO CN1CCc2c1[nH+]c1ccccc1c2NC(=O)/C=C/c1ccccc1 ZINC000018285331 564019163 /nfs/dbraw/zinc/01/91/63/564019163.db2.gz DIEZGWMUGZWQTD-VAWYXSNFSA-N 1 2 329.403 3.879 50 0 biogenic EHAALO Cc1nc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)cs1 ZINC000046837573 564025419 /nfs/dbraw/zinc/02/54/19/564025419.db2.gz URBFERDZNBXVEE-GOSISDBHSA-N 1 2 338.480 3.864 50 0 EHAALO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000044914058 564027719 /nfs/dbraw/zinc/02/77/19/564027719.db2.gz SDWXZAMRYOQFRS-CQSZACIVSA-N 1 2 339.443 3.746 50 0 EHAALO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000044914058 564027720 /nfs/dbraw/zinc/02/77/20/564027720.db2.gz SDWXZAMRYOQFRS-CQSZACIVSA-N 1 2 339.443 3.746 50 0 EHAALO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1c1cccs1 ZINC000045041828 564028078 /nfs/dbraw/zinc/02/80/78/564028078.db2.gz LQMBBJJDBBPVSH-QGZVFWFLSA-N 1 2 337.448 3.970 50 0 EHAALO COc1ccc(Cl)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045763094 564028651 /nfs/dbraw/zinc/02/86/51/564028651.db2.gz RNNZHSTWHOWKNB-UHFFFAOYSA-N 1 2 327.771 3.787 50 0 EHAALO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000045914041 564028881 /nfs/dbraw/zinc/02/88/81/564028881.db2.gz YFOSJYQKTMFDIJ-RHSMWYFYSA-N 1 2 343.471 3.874 50 0 EHAALO S=c1n(C2CC2)cnn1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000048365783 564031504 /nfs/dbraw/zinc/03/15/04/564031504.db2.gz PBFQRBATENWIGN-QGZVFWFLSA-N 1 2 326.469 3.858 50 0 EHAALO S=c1n(C2CC2)cnn1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000048365783 564031505 /nfs/dbraw/zinc/03/15/05/564031505.db2.gz PBFQRBATENWIGN-QGZVFWFLSA-N 1 2 326.469 3.858 50 0 EHAALO O=C(N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1cc(Cl)ccc1F ZINC000012532071 564058300 /nfs/dbraw/zinc/05/83/00/564058300.db2.gz OJYAMJPTAKCJPY-MRXNPFEDSA-N 1 2 343.789 3.916 50 0 EHAALO CCc1nnc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)o1 ZINC000052993708 564063462 /nfs/dbraw/zinc/06/34/62/564063462.db2.gz JPWCDAVPWXKGPC-UHFFFAOYSA-N 1 2 346.818 3.806 50 0 EHAALO COc1ccc(NC(=O)Cc2cn3ccccc3[nH+]2)c(C(F)(F)F)c1 ZINC000083925537 564064850 /nfs/dbraw/zinc/06/48/50/564064850.db2.gz HRHBSRDRCLENJM-UHFFFAOYSA-N 1 2 349.312 3.543 50 0 EHAALO c1sc(-c2ncccn2)nc1CSCc1cn2ccccc2[nH+]1 ZINC000084495592 564068274 /nfs/dbraw/zinc/06/82/74/564068274.db2.gz CGZJFEXPPFKLJQ-UHFFFAOYSA-N 1 2 339.449 3.681 50 0 EHAALO O=C(Cc1cn2ccccc2[nH+]1)O[C@@H](c1ccccc1)c1ccccn1 ZINC000084525049 564068512 /nfs/dbraw/zinc/06/85/12/564068512.db2.gz GKZAHIMWACKYNB-NRFANRHFSA-N 1 2 343.386 3.605 50 0 EHAALO Cn1cnn(C[N@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)c1=S ZINC000012809115 564072628 /nfs/dbraw/zinc/07/26/28/564072628.db2.gz CDYLRVSBWJOQIP-QGZVFWFLSA-N 1 2 342.443 3.769 50 0 EHAALO Cn1cnn(C[N@@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)c1=S ZINC000012809115 564072629 /nfs/dbraw/zinc/07/26/29/564072629.db2.gz CDYLRVSBWJOQIP-QGZVFWFLSA-N 1 2 342.443 3.769 50 0 EHAALO C[C@H](Nc1cc(N[C@@H](C)c2nccs2)[nH+]cn1)c1nccs1 ZINC000185381489 564073550 /nfs/dbraw/zinc/07/35/50/564073550.db2.gz MGEKNPCONCQAKM-UWVGGRQHSA-N 1 2 332.458 3.736 50 0 EHAALO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCc3sccc3C2)c1 ZINC000150876238 564075711 /nfs/dbraw/zinc/07/57/11/564075711.db2.gz WXCGBSNQGXLTJF-UHFFFAOYSA-N 1 2 338.436 3.739 50 0 EHAALO COc1cc(C[N@H+](C)Cc2nc(C)cs2)c(SC)cc1OC ZINC000088601540 564079622 /nfs/dbraw/zinc/07/96/22/564079622.db2.gz BXMMFLLQMJBMDP-UHFFFAOYSA-N 1 2 338.498 3.823 50 0 EHAALO COc1cc(C[N@@H+](C)Cc2nc(C)cs2)c(SC)cc1OC ZINC000088601540 564079623 /nfs/dbraw/zinc/07/96/23/564079623.db2.gz BXMMFLLQMJBMDP-UHFFFAOYSA-N 1 2 338.498 3.823 50 0 EHAALO Clc1cccc(C[NH+]2CC(c3nc(Cc4ccccc4)no3)C2)c1 ZINC000090563468 564084774 /nfs/dbraw/zinc/08/47/74/564084774.db2.gz DAEQICCQFQWROU-UHFFFAOYSA-N 1 2 339.826 3.913 50 0 EHAALO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N3c2ccc3c(c2)CCC3)s1 ZINC000064093226 564085162 /nfs/dbraw/zinc/08/51/62/564085162.db2.gz USCRJBORZBXPJP-HKUYNNGSSA-N 1 2 338.476 3.535 50 0 EHAALO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N3c2ccc3c(c2)CCC3)s1 ZINC000064093226 564085163 /nfs/dbraw/zinc/08/51/63/564085163.db2.gz USCRJBORZBXPJP-HKUYNNGSSA-N 1 2 338.476 3.535 50 0 EHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nc2ccccc2s1 ZINC000240744101 564088273 /nfs/dbraw/zinc/08/82/73/564088273.db2.gz HUMCFTWFFZEXMI-YUELXQCFSA-N 1 2 330.453 3.602 50 0 EHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nc2ccccc2s1 ZINC000240744101 564088274 /nfs/dbraw/zinc/08/82/74/564088274.db2.gz HUMCFTWFFZEXMI-YUELXQCFSA-N 1 2 330.453 3.602 50 0 EHAALO Cc1ccc(N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2=O)cc1Cl ZINC000035798947 564090235 /nfs/dbraw/zinc/09/02/35/564090235.db2.gz HXJOCKUZBWIJHW-OAHLLOKOSA-N 1 2 328.843 3.886 50 0 EHAALO Cc1ccc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2=O)cc1Cl ZINC000035798947 564090236 /nfs/dbraw/zinc/09/02/36/564090236.db2.gz HXJOCKUZBWIJHW-OAHLLOKOSA-N 1 2 328.843 3.886 50 0 EHAALO CCC(=O)N(Cc1[nH+]ccn1Cc1cccc(Cl)c1)CC(C)C ZINC000006689539 564095814 /nfs/dbraw/zinc/09/58/14/564095814.db2.gz SUAKPMTWRWDPHD-UHFFFAOYSA-N 1 2 333.863 3.979 50 0 EHAALO CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-n2cc[nH+]c2)cc1 ZINC000007128584 564105216 /nfs/dbraw/zinc/10/52/16/564105216.db2.gz UKUCUUZLCPLQDY-IBGZPJMESA-N 1 2 332.407 3.849 50 0 EHAALO O=C(CCc1ccsc1)Nc1cccc(OCCn2cc[nH+]c2)c1 ZINC000042707311 564111078 /nfs/dbraw/zinc/11/10/78/564111078.db2.gz GWSJJODNUNCQCN-UHFFFAOYSA-N 1 2 341.436 3.595 50 0 EHAALO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000013322761 564111502 /nfs/dbraw/zinc/11/15/02/564111502.db2.gz STZHNEZEUPOFCM-UHFFFAOYSA-N 1 2 335.860 3.751 50 0 EHAALO CC(C)(C)c1csc([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)n1 ZINC000076042960 564114751 /nfs/dbraw/zinc/11/47/51/564114751.db2.gz BHUSLAYATAUVDI-AWEZNQCLSA-N 1 2 346.500 3.781 50 0 EHAALO Cc1nnc(C[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)n1C ZINC000253425966 564131123 /nfs/dbraw/zinc/13/11/23/564131123.db2.gz KLBGURFNZXMNCF-UHFFFAOYSA-N 1 2 337.254 3.720 50 0 EHAALO Cc1nnc(C[N@@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)n1C ZINC000253425966 564131124 /nfs/dbraw/zinc/13/11/24/564131124.db2.gz KLBGURFNZXMNCF-UHFFFAOYSA-N 1 2 337.254 3.720 50 0 EHAALO CCSCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000078791899 564137192 /nfs/dbraw/zinc/13/71/92/564137192.db2.gz UUNASVFGQCTBBP-UHFFFAOYSA-N 1 2 348.541 3.708 50 0 EHAALO O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000095427135 564140229 /nfs/dbraw/zinc/14/02/29/564140229.db2.gz ZPPRARKJJANNCE-HZPDHXFCSA-N 1 2 346.475 3.528 50 0 EHAALO O=C(CCCOc1ccccc1Cl)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000095458555 564140686 /nfs/dbraw/zinc/14/06/86/564140686.db2.gz NFZPEGDNSXBCRQ-CQSZACIVSA-N 1 2 333.819 3.586 50 0 EHAALO CSc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000095962302 564142779 /nfs/dbraw/zinc/14/27/79/564142779.db2.gz DIGVRRMFDCDYBT-NSHDSACASA-N 1 2 334.420 3.682 50 0 EHAALO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)CCn1c2ccccc2oc1=O ZINC000095963277 564142840 /nfs/dbraw/zinc/14/28/40/564142840.db2.gz UWVMRSPTLIFXDT-CYBMUJFWSA-N 1 2 343.427 3.573 50 0 EHAALO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCn1c2ccccc2oc1=O ZINC000095963277 564142841 /nfs/dbraw/zinc/14/28/41/564142841.db2.gz UWVMRSPTLIFXDT-CYBMUJFWSA-N 1 2 343.427 3.573 50 0 EHAALO COc1ccccc1SCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000095978309 564143629 /nfs/dbraw/zinc/14/36/29/564143629.db2.gz OGAJLMRHCUWSRX-UHFFFAOYSA-N 1 2 339.420 3.612 50 0 EHAALO COc1ccc([C@@H](C)[NH2+]Cc2nc(C)c(C)o2)cc1Br ZINC000095984340 564143867 /nfs/dbraw/zinc/14/38/67/564143867.db2.gz DSRGRHCSRONVEJ-SNVBAGLBSA-N 1 2 339.233 3.913 50 0 EHAALO COc1ccccc1[C@H](NC(=O)C=C1CCCCC1)c1[nH+]ccn1C ZINC000055982030 564151054 /nfs/dbraw/zinc/15/10/54/564151054.db2.gz NJLNNZVCLNEEBN-IBGZPJMESA-N 1 2 339.439 3.525 50 0 EHAALO CSc1cc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)ccc1F ZINC000162732486 564154278 /nfs/dbraw/zinc/15/42/78/564154278.db2.gz YZEKYMUHBFZLOC-UHFFFAOYSA-N 1 2 347.459 3.603 50 0 EHAALO C[N@H+](Cc1cccc(Cl)c1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000057449777 564154359 /nfs/dbraw/zinc/15/43/59/564154359.db2.gz NDJOQZWMNMMULV-GOSISDBHSA-N 1 2 328.843 3.792 50 0 EHAALO C[N@@H+](Cc1cccc(Cl)c1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000057449777 564154360 /nfs/dbraw/zinc/15/43/60/564154360.db2.gz NDJOQZWMNMMULV-GOSISDBHSA-N 1 2 328.843 3.792 50 0 EHAALO C[N@H+](Cc1ccc(Cl)cc1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000057516890 564154634 /nfs/dbraw/zinc/15/46/34/564154634.db2.gz YGFFAOMHKTYXEG-GOSISDBHSA-N 1 2 346.833 3.931 50 0 EHAALO C[N@@H+](Cc1ccc(Cl)cc1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000057516890 564154635 /nfs/dbraw/zinc/15/46/35/564154635.db2.gz YGFFAOMHKTYXEG-GOSISDBHSA-N 1 2 346.833 3.931 50 0 EHAALO c1ccc2[nH]c([C@H](Cc3[nH]c4ccccc4[nH+]3)[C@@H]3CCCO3)nc2c1 ZINC000003984975 564159842 /nfs/dbraw/zinc/15/98/42/564159842.db2.gz HPCNQEOWJMLLPC-ACJLOTCBSA-N 1 2 332.407 3.945 50 0 biogenic EHAALO Cc1ccc(C(=O)c2ccccc2NC(=O)C[NH+]2CCCCC2)cc1 ZINC000069383005 564169092 /nfs/dbraw/zinc/16/90/92/564169092.db2.gz RTYSYHSZPKFUDP-UHFFFAOYSA-N 1 2 336.435 3.650 50 0 EHAALO COc1ccccc1[C@H](C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000009256027 564171960 /nfs/dbraw/zinc/17/19/60/564171960.db2.gz FSXLRUUHZPWUJI-AWEZNQCLSA-N 1 2 345.406 3.997 50 0 EHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3ccc(C)cc3[nH]2)c1C ZINC000058956936 1033119110 /nfs/dbraw/zinc/11/91/10/1033119110.db2.gz RESRCZYFHSXESY-UHFFFAOYSA-N 1 2 337.423 3.769 50 0 EHAALO CC(C)c1nc(C2([NH2+]C[C@@H](O)c3cccc(Cl)c3)CCCC2)no1 ZINC000174173378 1033778426 /nfs/dbraw/zinc/77/84/26/1033778426.db2.gz ZDPFCRGDNJDDFT-OAHLLOKOSA-N 1 2 349.862 3.939 50 0 EHAALO Fc1ccc(-c2ccc(C[N@@H+]3CCOC[C@]34CCOC4)s2)cc1 ZINC000195015829 1035494509 /nfs/dbraw/zinc/49/45/09/1035494509.db2.gz HKBJILFEWBXERM-GOSISDBHSA-N 1 2 333.428 3.546 50 0 EHAALO Fc1ccc(-c2ccc(C[N@H+]3CCOC[C@]34CCOC4)s2)cc1 ZINC000195015829 1035494514 /nfs/dbraw/zinc/49/45/14/1035494514.db2.gz HKBJILFEWBXERM-GOSISDBHSA-N 1 2 333.428 3.546 50 0 EHAALO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccn(-c3ccccc3)n1)CCO2 ZINC000178068423 1035639630 /nfs/dbraw/zinc/63/96/30/1035639630.db2.gz YUYXPVPYZRAXET-HXUWFJFHSA-N 1 2 349.434 3.884 50 0 EHAALO CC(C)c1cccc(C(C)C)c1OCCOCC[NH+]1CCOCC1 ZINC000023549898 1035684355 /nfs/dbraw/zinc/68/43/55/1035684355.db2.gz FNSIUTPYLQEYQD-UHFFFAOYSA-N 1 2 335.488 3.661 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000581806355 1132367869 /nfs/dbraw/zinc/36/78/69/1132367869.db2.gz PQILKOHXFQCFCO-LJQANCHMSA-N 1 2 335.451 3.988 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1C[C@@H]1CCCN(C(=O)NC(C)C)C1 ZINC000581807761 1132370936 /nfs/dbraw/zinc/37/09/36/1132370936.db2.gz RLWPLGWHDYWVNW-QGZVFWFLSA-N 1 2 340.471 3.689 50 0 EHAALO CN(C)Cc1nc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000585118730 1137009766 /nfs/dbraw/zinc/00/97/66/1137009766.db2.gz ZVGUYYBQWYURKU-UHFFFAOYSA-N 1 2 329.391 3.513 50 0 EHAALO Cc1nc(-c2ccc(C(=O)N[C@@H]3CCCc4[nH+]c[nH]c43)cc2)cs1 ZINC000585122568 1137011766 /nfs/dbraw/zinc/01/17/66/1137011766.db2.gz BBNNFOQMEUYFBI-OAHLLOKOSA-N 1 2 338.436 3.649 50 0 EHAALO COc1ccc2[nH]c(C[NH2+]Cc3ccc([C@H]4CCCCO4)o3)nc2c1 ZINC000952860175 1137482586 /nfs/dbraw/zinc/48/25/86/1137482586.db2.gz HDRFBYCYFGIHCP-QGZVFWFLSA-N 1 2 341.411 3.696 50 0 EHAALO COc1cccc(C[N@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)c1 ZINC000056673243 214383589 /nfs/dbraw/zinc/38/35/89/214383589.db2.gz AXXYVKDEAXGZIE-UHFFFAOYSA-N 1 2 342.468 3.531 50 0 EHAALO COc1cccc(C[N@@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)c1 ZINC000056673243 214383593 /nfs/dbraw/zinc/38/35/93/214383593.db2.gz AXXYVKDEAXGZIE-UHFFFAOYSA-N 1 2 342.468 3.531 50 0 EHAALO COc1ccc([C@@H]2CCN(c3cc(C)[nH+]c(-c4ccncc4)n3)C2)cc1 ZINC000060338976 214631971 /nfs/dbraw/zinc/63/19/71/214631971.db2.gz CQLRPIMYJDEQKY-GOSISDBHSA-N 1 2 346.434 3.850 50 0 EHAALO O=C(c1ccc(Cl)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000019642022 202015530 /nfs/dbraw/zinc/01/55/30/202015530.db2.gz BQYJRVUFRKAHQR-GOSISDBHSA-N 1 2 329.827 3.639 50 0 EHAALO CC[NH+]1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000019939945 202027584 /nfs/dbraw/zinc/02/75/84/202027584.db2.gz LBQWVRMSTVGYTG-LJQANCHMSA-N 1 2 340.492 3.684 50 0 EHAALO Clc1cccc(-n2ncc3c2nc[nH+]c3NCc2ccco2)c1 ZINC000020662176 202052264 /nfs/dbraw/zinc/05/22/64/202052264.db2.gz ZRHUCOJUNVIWJE-UHFFFAOYSA-N 1 2 325.759 3.674 50 0 EHAALO Clc1ccc(-c2noc(C[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000020938054 202058500 /nfs/dbraw/zinc/05/85/00/202058500.db2.gz ZLDQNWNCMLVFSC-UHFFFAOYSA-N 1 2 325.799 3.948 50 0 EHAALO Clc1ccc(-c2noc(C[N@H+]3CCc4ccccc4C3)n2)cc1 ZINC000020938054 202058503 /nfs/dbraw/zinc/05/85/03/202058503.db2.gz ZLDQNWNCMLVFSC-UHFFFAOYSA-N 1 2 325.799 3.948 50 0 EHAALO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C(=O)OC)cc2)no1 ZINC000021719782 202069665 /nfs/dbraw/zinc/06/96/65/202069665.db2.gz WOSYUFJOROZAEW-SFHVURJKSA-N 1 2 328.412 3.751 50 0 EHAALO CCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)OC)cc2)no1 ZINC000021719782 202069669 /nfs/dbraw/zinc/06/96/69/202069669.db2.gz WOSYUFJOROZAEW-SFHVURJKSA-N 1 2 328.412 3.751 50 0 EHAALO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021719778 202069858 /nfs/dbraw/zinc/06/98/58/202069858.db2.gz PKGOPZGJZXWTML-QGZVFWFLSA-N 1 2 328.412 3.922 50 0 EHAALO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021719778 202069859 /nfs/dbraw/zinc/06/98/59/202069859.db2.gz PKGOPZGJZXWTML-QGZVFWFLSA-N 1 2 328.412 3.922 50 0 EHAALO CC(C)[N@H+](Cc1cnn(C)c1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000023339075 202101333 /nfs/dbraw/zinc/10/13/33/202101333.db2.gz ZJJGKYKZSLVLNP-UHFFFAOYSA-N 1 2 345.834 3.534 50 0 EHAALO CC(C)[N@@H+](Cc1cnn(C)c1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000023339075 202101336 /nfs/dbraw/zinc/10/13/36/202101336.db2.gz ZJJGKYKZSLVLNP-UHFFFAOYSA-N 1 2 345.834 3.534 50 0 EHAALO O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(-n2cc[nH+]c2)nc1 ZINC000024788182 202121919 /nfs/dbraw/zinc/12/19/19/202121919.db2.gz HBIDWBROAQAUQQ-UHFFFAOYSA-N 1 2 340.386 3.771 50 0 EHAALO CC(C)=C[C@H]1[C@@H](C(=O)NCCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000024714810 202118928 /nfs/dbraw/zinc/11/89/28/202118928.db2.gz UYJXBYWMBOUMAO-YJBOKZPZSA-N 1 2 325.456 3.699 50 0 EHAALO CC(C)=C[C@@H]1[C@@H](C(=O)NCCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000024714808 202118947 /nfs/dbraw/zinc/11/89/47/202118947.db2.gz UYJXBYWMBOUMAO-QAPCUYQASA-N 1 2 325.456 3.699 50 0 EHAALO C[C@@H](NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000025416517 202131063 /nfs/dbraw/zinc/13/10/63/202131063.db2.gz KSXVGKMQYIHBDE-VGOFRKELSA-N 1 2 345.446 3.638 50 0 EHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(C(C)(C)C)o2)cc1OC ZINC000027227854 202152455 /nfs/dbraw/zinc/15/24/55/202152455.db2.gz POPBTGIYWFRKHG-AWEZNQCLSA-N 1 2 345.443 3.721 50 0 EHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(C(C)(C)C)o2)cc1OC ZINC000027227854 202152458 /nfs/dbraw/zinc/15/24/58/202152458.db2.gz POPBTGIYWFRKHG-AWEZNQCLSA-N 1 2 345.443 3.721 50 0 EHAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(C(C)C)no2)c1 ZINC000027280477 202152939 /nfs/dbraw/zinc/15/29/39/202152939.db2.gz HYZJAUMYFLWTQH-OAHLLOKOSA-N 1 2 331.416 3.547 50 0 EHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(C(C)C)no2)c1 ZINC000027280477 202152942 /nfs/dbraw/zinc/15/29/42/202152942.db2.gz HYZJAUMYFLWTQH-OAHLLOKOSA-N 1 2 331.416 3.547 50 0 EHAALO CC[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccc(Cl)s1 ZINC000039990599 202167093 /nfs/dbraw/zinc/16/70/93/202167093.db2.gz DRDBOGNFMOBQSE-UHFFFAOYSA-N 1 2 348.899 3.808 50 0 EHAALO CC[N@@H+](CC(=O)N1CCc2ccccc2C1)Cc1ccc(Cl)s1 ZINC000039990599 202167096 /nfs/dbraw/zinc/16/70/96/202167096.db2.gz DRDBOGNFMOBQSE-UHFFFAOYSA-N 1 2 348.899 3.808 50 0 EHAALO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)NCc1cccs1 ZINC000032739767 202232631 /nfs/dbraw/zinc/23/26/31/202232631.db2.gz XPGOVVJQGIVXSC-LBPRGKRZSA-N 1 2 345.493 3.667 50 0 EHAALO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000032739767 202232636 /nfs/dbraw/zinc/23/26/36/202232636.db2.gz XPGOVVJQGIVXSC-LBPRGKRZSA-N 1 2 345.493 3.667 50 0 EHAALO c1cc2c(s1)CC[N@@H+](Cc1cn3cccnc3n1)[C@H]2c1ccccc1 ZINC000032874050 202240039 /nfs/dbraw/zinc/24/00/39/202240039.db2.gz XABSZIMUIOUCGJ-IBGZPJMESA-N 1 2 346.459 3.939 50 0 EHAALO c1cc2c(s1)CC[N@H+](Cc1cn3cccnc3n1)[C@H]2c1ccccc1 ZINC000032874050 202240043 /nfs/dbraw/zinc/24/00/43/202240043.db2.gz XABSZIMUIOUCGJ-IBGZPJMESA-N 1 2 346.459 3.939 50 0 EHAALO Cc1cc2[nH+]c(Cc3ccccc3)n(CC(=O)NC3CC3)c2cc1C ZINC000037398724 202340110 /nfs/dbraw/zinc/34/01/10/202340110.db2.gz BMSUOIHRAPQGRJ-UHFFFAOYSA-N 1 2 333.435 3.523 50 0 EHAALO CCn1cc[nH+]c1CN(C)c1cc(-c2ccccc2)nc2cc(C)nn21 ZINC000072478315 216257329 /nfs/dbraw/zinc/25/73/29/216257329.db2.gz WOXGKUSNVHOAHP-UHFFFAOYSA-N 1 2 346.438 3.558 50 0 EHAALO Cc1[nH+]c2n(c1C)CCN(Cc1cc(Cl)cc3cccnc31)C2 ZINC000065477819 201153745 /nfs/dbraw/zinc/15/37/45/201153745.db2.gz MDGDPUJOXLXFBH-UHFFFAOYSA-N 1 2 326.831 3.717 50 0 EHAALO C/C(=C\C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000096297985 201375286 /nfs/dbraw/zinc/37/52/86/201375286.db2.gz QGVROGBEFNWBIZ-QKDSCKQDSA-N 1 2 346.474 3.948 50 0 EHAALO O=C(N[C@@H]1CCc2[nH+]ccn2C1)c1sc2sccc2c1Cl ZINC000097197456 201378992 /nfs/dbraw/zinc/37/89/92/201378992.db2.gz FFJURIGEQPOIKA-MRVPVSSYSA-N 1 2 337.857 3.558 50 0 EHAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cnc(NCc3ccccc3)nc2)on1 ZINC000215084454 241106137 /nfs/dbraw/zinc/10/61/37/241106137.db2.gz AGKOTXZNINBONN-SFHVURJKSA-N 1 2 349.438 3.722 50 0 EHAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2cnc(NCc3ccccc3)nc2)on1 ZINC000215084454 241106140 /nfs/dbraw/zinc/10/61/40/241106140.db2.gz AGKOTXZNINBONN-SFHVURJKSA-N 1 2 349.438 3.722 50 0 EHAALO S=C1N=NC(CCCCc2[nH]c3ccccc3[nH+]2)N1c1ccccc1 ZINC000216759179 241210303 /nfs/dbraw/zinc/21/03/03/241210303.db2.gz LDTMFSJERKFTTJ-UHFFFAOYSA-N 1 2 349.463 3.998 50 0 EHAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COC[C@@H]1CC=CCC1 ZINC000000242994 201452796 /nfs/dbraw/zinc/45/27/96/201452796.db2.gz UFMCELMQZANVGK-SJORKVTESA-N 1 2 328.456 3.723 50 0 EHAALO Fc1ccc(-c2nnc3sc(C[NH+]4CCCCCC4)cn32)cc1 ZINC000002466994 201532929 /nfs/dbraw/zinc/53/29/29/201532929.db2.gz VTYFEENQAAVLJL-UHFFFAOYSA-N 1 2 330.432 3.973 50 0 EHAALO CC[N@H+](CCCNC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 ZINC000021407641 212223436 /nfs/dbraw/zinc/22/34/36/212223436.db2.gz XOMLZADCCYOPBY-IBGZPJMESA-N 1 2 340.492 3.736 50 0 EHAALO CC[N@@H+](CCCNC(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 ZINC000021407641 212223441 /nfs/dbraw/zinc/22/34/41/212223441.db2.gz XOMLZADCCYOPBY-IBGZPJMESA-N 1 2 340.492 3.736 50 0 EHAALO Cc1ccsc1C[N@@H+](Cc1noc([C@H]2CCCO2)n1)CC(C)C ZINC000244734738 243070317 /nfs/dbraw/zinc/07/03/17/243070317.db2.gz NKZTXUYJRWTPHR-CQSZACIVSA-N 1 2 335.473 3.949 50 0 EHAALO Cc1ccsc1C[N@H+](Cc1noc([C@H]2CCCO2)n1)CC(C)C ZINC000244734738 243070324 /nfs/dbraw/zinc/07/03/24/243070324.db2.gz NKZTXUYJRWTPHR-CQSZACIVSA-N 1 2 335.473 3.949 50 0 EHAALO O=C(c1cc2ccccc2cc1O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020638831 212157846 /nfs/dbraw/zinc/15/78/46/212157846.db2.gz DUKJAIPXNOPNRQ-UHFFFAOYSA-N 1 2 346.430 3.503 50 0 EHAALO COc1cccc2c(C)c(C(=O)Nc3ccc(-n4cc[nH+]c4)nc3)oc21 ZINC000069654836 203033377 /nfs/dbraw/zinc/03/33/77/203033377.db2.gz IIISNXVHXRPLKK-UHFFFAOYSA-N 1 2 348.362 3.583 50 0 EHAALO Cc1ccc(CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C(C)C)s1 ZINC000069559870 203018456 /nfs/dbraw/zinc/01/84/56/203018456.db2.gz RAABWUVTOZZMLI-UHFFFAOYSA-N 1 2 346.500 3.638 50 0 EHAALO CC(C)c1nnsc1C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071404186 203093766 /nfs/dbraw/zinc/09/37/66/203093766.db2.gz GCWCEMFGYMGSCS-AWEZNQCLSA-N 1 2 337.876 3.888 50 0 EHAALO CC(C)c1nnsc1C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071404186 203093770 /nfs/dbraw/zinc/09/37/70/203093770.db2.gz GCWCEMFGYMGSCS-AWEZNQCLSA-N 1 2 337.876 3.888 50 0 EHAALO Cc1ccc2[nH+]c(CNc3nccc(CCC(F)(F)F)n3)cn2c1 ZINC000071439991 203096572 /nfs/dbraw/zinc/09/65/72/203096572.db2.gz WNMJOSKACHMZNA-UHFFFAOYSA-N 1 2 335.333 3.540 50 0 EHAALO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H](c1ccccc1)C1CCC1 ZINC000071803974 203116071 /nfs/dbraw/zinc/11/60/71/203116071.db2.gz LUBIXYNXXIULTR-LJQANCHMSA-N 1 2 338.455 3.560 50 0 EHAALO O=C(NCCc1c[nH+]c[nH]1)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000072406005 203216513 /nfs/dbraw/zinc/21/65/13/203216513.db2.gz WGTKODXDMFEADP-UHFFFAOYSA-N 1 2 339.342 3.616 50 0 EHAALO O=C(NCCc1c[nH]c[nH+]1)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000072406005 203216517 /nfs/dbraw/zinc/21/65/17/203216517.db2.gz WGTKODXDMFEADP-UHFFFAOYSA-N 1 2 339.342 3.616 50 0 EHAALO Fc1cccc(Cl)c1C[NH+]1CC(c2nc(-c3cccnc3)no2)C1 ZINC000049483708 204392440 /nfs/dbraw/zinc/39/24/40/204392440.db2.gz YPINGLHGIIHBDW-UHFFFAOYSA-N 1 2 344.777 3.524 50 0 EHAALO CC(C)[C@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000010107246 211149041 /nfs/dbraw/zinc/14/90/41/211149041.db2.gz ULUWARRYNKFFCE-IBGZPJMESA-N 1 2 328.481 3.620 50 0 EHAALO CC(C)[C@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000010107246 211149045 /nfs/dbraw/zinc/14/90/45/211149045.db2.gz ULUWARRYNKFFCE-IBGZPJMESA-N 1 2 328.481 3.620 50 0 EHAALO COc1ccc2oc(C[N@@H+]3CCO[C@@H](c4nc(C)cs4)C3)cc2c1 ZINC000092790399 218167573 /nfs/dbraw/zinc/16/75/73/218167573.db2.gz KMDKBOAOWYHPOJ-QGZVFWFLSA-N 1 2 344.436 3.780 50 0 EHAALO COc1ccc2oc(C[N@H+]3CCO[C@@H](c4nc(C)cs4)C3)cc2c1 ZINC000092790399 218167576 /nfs/dbraw/zinc/16/75/76/218167576.db2.gz KMDKBOAOWYHPOJ-QGZVFWFLSA-N 1 2 344.436 3.780 50 0 EHAALO O=C(c1c(F)cc(F)cc1F)C1CC[NH+](Cc2cncs2)CC1 ZINC000093440742 218226275 /nfs/dbraw/zinc/22/62/75/218226275.db2.gz OYJLITVBGPSSON-UHFFFAOYSA-N 1 2 340.370 3.655 50 0 EHAALO Fc1ccccc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000055542871 132195196 /nfs/dbraw/zinc/19/51/96/132195196.db2.gz PDIHPFBKWSAOIA-UHFFFAOYSA-N 1 2 349.247 3.910 50 0 EHAALO Cc1ccccc1N1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000057338479 132199734 /nfs/dbraw/zinc/19/97/34/132199734.db2.gz KYAUARDJAIDEFD-QGZVFWFLSA-N 1 2 348.450 3.928 50 0 EHAALO O=C(CCCc1c[nH]c2ccccc12)OCCc1cn2ccccc2[nH+]1 ZINC000241316987 526454465 /nfs/dbraw/zinc/45/44/65/526454465.db2.gz LWRCLWBEDSAUGM-UHFFFAOYSA-N 1 2 347.418 3.924 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000008746326 563639161 /nfs/dbraw/zinc/63/91/61/563639161.db2.gz GWAGCCRPNARSMB-MRXNPFEDSA-N 1 2 340.814 3.985 50 0 EHAALO Cc1ccccc1[C@H](CC(=O)N(C)CCn1cc[nH+]c1)c1ccccc1 ZINC000012444760 563661145 /nfs/dbraw/zinc/66/11/45/563661145.db2.gz XVBRTBITNTZGGD-OAQYLSRUSA-N 1 2 347.462 3.872 50 0 EHAALO Cc1ccccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000014164848 563746242 /nfs/dbraw/zinc/74/62/42/563746242.db2.gz FEYARXPQHLQORP-ZDUSSCGKSA-N 1 2 329.469 3.936 50 0 EHAALO Cc1ccccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000014164848 563746245 /nfs/dbraw/zinc/74/62/45/563746245.db2.gz FEYARXPQHLQORP-ZDUSSCGKSA-N 1 2 329.469 3.936 50 0 EHAALO COc1ccccc1N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000023749309 563867559 /nfs/dbraw/zinc/86/75/59/563867559.db2.gz HCVBQDPLGZAYRD-UHFFFAOYSA-N 1 2 339.464 3.627 50 0 EHAALO COc1nc(C)ccc1C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000072255097 563889609 /nfs/dbraw/zinc/88/96/09/563889609.db2.gz NSFDBNSTELEZSG-UHFFFAOYSA-N 1 2 331.466 3.873 50 0 EHAALO C[C@@H](c1nccs1)[N@H+](C)Cc1ccc(Sc2ncccn2)o1 ZINC000055108773 563933791 /nfs/dbraw/zinc/93/37/91/563933791.db2.gz AZDLTFTVYLZQKY-NSHDSACASA-N 1 2 332.454 3.870 50 0 EHAALO C[C@@H](c1nccs1)[N@@H+](C)Cc1ccc(Sc2ncccn2)o1 ZINC000055108773 563933792 /nfs/dbraw/zinc/93/37/92/563933792.db2.gz AZDLTFTVYLZQKY-NSHDSACASA-N 1 2 332.454 3.870 50 0 EHAALO CCCCOc1c(C[NH2+][C@@H](CC)c2nc(C)no2)cccc1OC ZINC000055403166 563934739 /nfs/dbraw/zinc/93/47/39/563934739.db2.gz XGUSVCYWJWTUCS-HNNXBMFYSA-N 1 2 333.432 3.806 50 0 EHAALO Cn1cc[nH+]c1CN(C(=O)Nc1ccccc1C(F)(F)F)C1CC1 ZINC000058201891 563939647 /nfs/dbraw/zinc/93/96/47/563939647.db2.gz LSNWGXKNHBJXIV-UHFFFAOYSA-N 1 2 338.333 3.635 50 0 EHAALO CCCc1csc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC000096415076 563951054 /nfs/dbraw/zinc/95/10/54/563951054.db2.gz USYIQSAZNYCJOZ-UHFFFAOYSA-N 1 2 339.505 3.585 50 0 EHAALO O=C(NCc1[nH+]ccn1CCCc1ccccc1)c1ccsc1 ZINC000096459373 563953954 /nfs/dbraw/zinc/95/39/54/563953954.db2.gz FAOXJMSVWPUMIE-UHFFFAOYSA-N 1 2 325.437 3.507 50 0 EHAALO O=C(CN1c2ccccc2N2CC[NH+]=C12)c1cccc2ccccc21 ZINC000000017115 563962192 /nfs/dbraw/zinc/96/21/92/563962192.db2.gz VCDOYAVGAFQNEH-UHFFFAOYSA-N 1 2 327.387 3.719 50 0 EHAALO Cc1ccsc1-c1nc(C[N@@H+](C)Cc2cnn(C)c2C)c(C)o1 ZINC000067757350 563962650 /nfs/dbraw/zinc/96/26/50/563962650.db2.gz RUFQTVFMPBDIKO-UHFFFAOYSA-N 1 2 330.457 3.694 50 0 EHAALO Cc1ccsc1-c1nc(C[N@H+](C)Cc2cnn(C)c2C)c(C)o1 ZINC000067757350 563962651 /nfs/dbraw/zinc/96/26/51/563962651.db2.gz RUFQTVFMPBDIKO-UHFFFAOYSA-N 1 2 330.457 3.694 50 0 EHAALO COc1ccccc1Oc1ncccc1CNc1nc(C)[nH+]cc1C ZINC000067855027 563962907 /nfs/dbraw/zinc/96/29/07/563962907.db2.gz NNUIPUALJXAURR-UHFFFAOYSA-N 1 2 336.395 3.901 50 0 EHAALO COc1ccc([C@H](NCc2cn3ccccc3[nH+]2)C(F)(F)F)cc1 ZINC000097056123 563967138 /nfs/dbraw/zinc/96/71/38/563967138.db2.gz ORSQXLWOWDQKCM-INIZCTEOSA-N 1 2 335.329 3.736 50 0 EHAALO O[C@@H](Cn1cc[nH+]c1-c1cc(F)ccc1-n1cccn1)c1ccccc1 ZINC000082098039 563972224 /nfs/dbraw/zinc/97/22/24/563972224.db2.gz OLMZOBUSNKCYJU-IBGZPJMESA-N 1 2 348.381 3.609 50 0 EHAALO Cc1ccc(C(=O)N2CCC(c3[nH+]ccn3CC3CC3)CC2)cc1F ZINC000082145667 563972711 /nfs/dbraw/zinc/97/27/11/563972711.db2.gz IWLOWKCEZWPEBL-UHFFFAOYSA-N 1 2 341.430 3.760 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(c2ncnc3ccc(F)cc32)C1 ZINC000585149297 563974184 /nfs/dbraw/zinc/97/41/84/563974184.db2.gz HCJPKBDYMZETQK-HNNXBMFYSA-N 1 2 347.397 3.878 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2ccc(SC)cc2)C1 ZINC000091678362 563975700 /nfs/dbraw/zinc/97/57/00/563975700.db2.gz UKTVUNRLUYXXGU-MRXNPFEDSA-N 1 2 343.496 3.574 50 0 EHAALO O=C(c1ccc2[nH+]ccn2c1)N1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000091873093 563975860 /nfs/dbraw/zinc/97/58/60/563975860.db2.gz GQRNBQRRBMSJPB-GOSISDBHSA-N 1 2 349.434 3.667 50 0 EHAALO CCCCc1[nH]c(C[N@@H+]2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c[nH+]1 ZINC000095358969 563976730 /nfs/dbraw/zinc/97/67/30/563976730.db2.gz PGUXCDNQZHMIDV-QGZVFWFLSA-N 1 2 341.455 3.830 50 0 EHAALO CCCCc1[nH]c(C[N@H+]2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c[nH+]1 ZINC000095358969 563976731 /nfs/dbraw/zinc/97/67/31/563976731.db2.gz PGUXCDNQZHMIDV-QGZVFWFLSA-N 1 2 341.455 3.830 50 0 EHAALO C[C@@H](O)c1cccc(N2CCc3[nH]c4c(cccc4Cl)c3C2)[nH+]1 ZINC000095501038 563977083 /nfs/dbraw/zinc/97/70/83/563977083.db2.gz XYPUXUFMCMGINP-LLVKDONJSA-N 1 2 327.815 3.832 50 0 EHAALO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H](c1ccccc1)c1ccccc1F ZINC000095505545 563977151 /nfs/dbraw/zinc/97/71/51/563977151.db2.gz DVJOWSXPPXAXTL-KRWDZBQOSA-N 1 2 337.398 3.696 50 0 EHAALO CCn1cc[nH+]c1C1CCN(C(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000095504799 563977162 /nfs/dbraw/zinc/97/71/62/563977162.db2.gz AQKYFWJHBGGUIX-UHFFFAOYSA-N 1 2 349.837 3.644 50 0 EHAALO Cc1ccc2c(cc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)n2C)c1 ZINC000097553411 563981666 /nfs/dbraw/zinc/98/16/66/563981666.db2.gz PWQQJYMXGHDYPC-GOSISDBHSA-N 1 2 338.455 3.528 50 0 EHAALO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1C ZINC000050448657 563990945 /nfs/dbraw/zinc/99/09/45/563990945.db2.gz XXFRUWSCMXSRHR-LSDHHAIUSA-N 1 2 344.842 3.780 50 0 EHAALO O=C(NCCc1c[nH+]c[nH]1)c1sc2cc(Cl)ccc2c1Cl ZINC000013640590 564020577 /nfs/dbraw/zinc/02/05/77/564020577.db2.gz ZKOLGDHRMGYUGP-UHFFFAOYSA-N 1 2 340.235 3.904 50 0 EHAALO O=C(NCCc1c[nH]c[nH+]1)c1sc2cc(Cl)ccc2c1Cl ZINC000013640590 564020578 /nfs/dbraw/zinc/02/05/78/564020578.db2.gz ZKOLGDHRMGYUGP-UHFFFAOYSA-N 1 2 340.235 3.904 50 0 EHAALO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cc(C)no3)co2)cc1 ZINC000047273731 564026059 /nfs/dbraw/zinc/02/60/59/564026059.db2.gz JOSDPTJIEKIWNS-QGZVFWFLSA-N 1 2 339.395 3.984 50 0 EHAALO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cc(C)no3)co2)cc1 ZINC000047273731 564026060 /nfs/dbraw/zinc/02/60/60/564026060.db2.gz JOSDPTJIEKIWNS-QGZVFWFLSA-N 1 2 339.395 3.984 50 0 EHAALO CC(C)c1noc([C@@H](C)[NH+]2CCC([C@H](O)c3ccccc3)CC2)n1 ZINC000045914052 564028877 /nfs/dbraw/zinc/02/88/77/564028877.db2.gz XFAGOEMCBZRUCN-RHSMWYFYSA-N 1 2 329.444 3.700 50 0 EHAALO COc1ccc([C@@H](NC(=O)c2cccc(C)c2C)c2[nH+]ccn2C)cc1 ZINC000012507395 564058027 /nfs/dbraw/zinc/05/80/27/564058027.db2.gz FDYZGWGKMDAVAF-LJQANCHMSA-N 1 2 349.434 3.565 50 0 EHAALO CCCCNc1[nH+]c2ccccc2n1CC(=O)NCc1cccs1 ZINC000012547521 564058977 /nfs/dbraw/zinc/05/89/77/564058977.db2.gz XAWVASJELGFAQS-UHFFFAOYSA-N 1 2 342.468 3.626 50 0 EHAALO Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012549669 564059041 /nfs/dbraw/zinc/05/90/41/564059041.db2.gz OAIQDKKTWACLJG-SJORKVTESA-N 1 2 349.434 3.825 50 0 EHAALO COc1ccccc1-n1cnn(C[N@H+](C)Cc2ccccc2)c1=S ZINC000012590214 564060233 /nfs/dbraw/zinc/06/02/33/564060233.db2.gz GKRSAQPVLUQEEA-UHFFFAOYSA-N 1 2 340.452 3.501 50 0 EHAALO COc1ccccc1-n1cnn(C[N@@H+](C)Cc2ccccc2)c1=S ZINC000012590214 564060234 /nfs/dbraw/zinc/06/02/34/564060234.db2.gz GKRSAQPVLUQEEA-UHFFFAOYSA-N 1 2 340.452 3.501 50 0 EHAALO FC(F)(F)c1cc(-c2ccc(-n3cc[nH+]c3)cc2)nc2ccnn21 ZINC000006402531 564066330 /nfs/dbraw/zinc/06/63/30/564066330.db2.gz UTQFRZDWUAOAGM-UHFFFAOYSA-N 1 2 329.285 3.601 50 0 EHAALO COCc1nc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)cs1 ZINC000085301458 564072494 /nfs/dbraw/zinc/07/24/94/564072494.db2.gz MVOULBRGBFQZHZ-INIZCTEOSA-N 1 2 330.457 3.653 50 0 EHAALO Oc1ccc(C2=CC[N@H+](Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC000053815145 564084128 /nfs/dbraw/zinc/08/41/28/564084128.db2.gz ASTQWMKPBFFKBV-UHFFFAOYSA-N 1 2 339.420 3.793 50 0 EHAALO Oc1ccc(C2=CC[N@@H+](Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC000053815145 564084129 /nfs/dbraw/zinc/08/41/29/564084129.db2.gz ASTQWMKPBFFKBV-UHFFFAOYSA-N 1 2 339.420 3.793 50 0 EHAALO CC(C)C(=O)N(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)C1CC1 ZINC000006689973 564095834 /nfs/dbraw/zinc/09/58/34/564095834.db2.gz QTWTVFCXYMDLEU-UHFFFAOYSA-N 1 2 349.837 3.871 50 0 EHAALO C[NH+]1CCN(C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 ZINC000006734503 564096665 /nfs/dbraw/zinc/09/66/65/564096665.db2.gz QUZOAPSJLIUDPI-UHFFFAOYSA-N 1 2 339.222 3.641 50 0 EHAALO CCN(CC)c1cc(CCC(=O)N(C)Cc2ccccc2)cc[nH+]1 ZINC000065269981 564103856 /nfs/dbraw/zinc/10/38/56/564103856.db2.gz AVPZYEQVPGTHKY-UHFFFAOYSA-N 1 2 325.456 3.519 50 0 EHAALO Cc1cc(F)c(Br)cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000170608897 564109730 /nfs/dbraw/zinc/10/97/30/564109730.db2.gz HDLPQIVOXYKDOT-UHFFFAOYSA-N 1 2 348.175 3.797 50 0 EHAALO Cc1ccccc1[C@H]1C[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000089689284 564113099 /nfs/dbraw/zinc/11/30/99/564113099.db2.gz KIEIBIARXODHNJ-NHCUHLMSSA-N 1 2 345.446 3.660 50 0 EHAALO CCc1cc(CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)on1 ZINC000076021446 564114561 /nfs/dbraw/zinc/11/45/61/564114561.db2.gz BXBIKFMYZITOGH-UHFFFAOYSA-N 1 2 338.367 3.746 50 0 EHAALO Cn1c2ccc(NC(=O)CSc3ccncc3)cc2[nH+]c1C1CC1 ZINC000089869069 564114608 /nfs/dbraw/zinc/11/46/08/564114608.db2.gz MCZYMUWUHAJLJO-UHFFFAOYSA-N 1 2 338.436 3.577 50 0 EHAALO Cc1ccc2[nH+]c(CSCC(=O)NC3CCC(C)(C)CC3)cn2c1 ZINC000170639031 564117544 /nfs/dbraw/zinc/11/75/44/564117544.db2.gz NPYHGVVSVHUXQD-UHFFFAOYSA-N 1 2 345.512 3.961 50 0 EHAALO c1ccc(Cc2noc([C@@]34CCC[C@@H]3CN(c3cccc[nH+]3)C4)n2)cc1 ZINC000366616105 564117848 /nfs/dbraw/zinc/11/78/48/564117848.db2.gz CMOWNPJWOCDQMF-DYESRHJHSA-N 1 2 346.434 3.614 50 0 EHAALO C[C@@H](Nc1cccc(C[N@H+](C)Cc2cscn2)c1)[C@@H]1CCOC1 ZINC000195099772 564122762 /nfs/dbraw/zinc/12/27/62/564122762.db2.gz SNMXFPKBTHFJIE-GDBMZVCRSA-N 1 2 331.485 3.612 50 0 EHAALO C[C@@H](Nc1cccc(C[N@@H+](C)Cc2cscn2)c1)[C@@H]1CCOC1 ZINC000195099772 564122763 /nfs/dbraw/zinc/12/27/63/564122763.db2.gz SNMXFPKBTHFJIE-GDBMZVCRSA-N 1 2 331.485 3.612 50 0 EHAALO Cc1ccc(Sc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000000347467 564130176 /nfs/dbraw/zinc/13/01/76/564130176.db2.gz WMUVQWLPJIFRAV-UHFFFAOYSA-N 1 2 326.465 3.534 50 0 EHAALO C[C@H](NC(=O)CCCc1nccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000253404185 564130605 /nfs/dbraw/zinc/13/06/05/564130605.db2.gz HOMUYRJWBDWQOB-AWEZNQCLSA-N 1 2 340.452 3.529 50 0 EHAALO CCc1nc(N2CCC[C@H]2c2cc(OC)ccc2OC)cc(C)[nH+]1 ZINC000253419300 564130943 /nfs/dbraw/zinc/13/09/43/564130943.db2.gz LDPLZPMQXSAKRK-INIZCTEOSA-N 1 2 327.428 3.706 50 0 EHAALO Cc1cc(NC(=O)c2ccccc2N(C)C(=O)c2ccco2)cc[nH+]1 ZINC000079001801 564137558 /nfs/dbraw/zinc/13/75/58/564137558.db2.gz IWNITOKTOPQJQN-UHFFFAOYSA-N 1 2 335.363 3.512 50 0 EHAALO C[C@@H](CC[C@H]1CCCO1)NC(=O)c1ccc(Oc2cc[nH+]cc2)cc1 ZINC000079310126 564138065 /nfs/dbraw/zinc/13/80/65/564138065.db2.gz AEJYSJOMHHMNSX-DOTOQJQBSA-N 1 2 340.423 3.951 50 0 EHAALO Cc1cn2cc(NC(=O)c3ccc4[nH]c(C(F)F)nc4c3)ccc2[nH+]1 ZINC000095381612 564139347 /nfs/dbraw/zinc/13/93/47/564139347.db2.gz RZNLWXKZAXLUBW-UHFFFAOYSA-N 1 2 341.321 3.709 50 0 EHAALO Cc1cccc2[nH+]c(C[S@@](=O)[C@@H]3CCc4c3cccc4F)cn21 ZINC000095440964 564140517 /nfs/dbraw/zinc/14/05/17/564140517.db2.gz HIGJEWZLDGVQPP-HXOBKFHXSA-N 1 2 328.412 3.718 50 0 EHAALO Cc1ccc2[nH]c([C@@H]3CCCN(c4ccc5nccnc5n4)C3)[nH+]c2c1 ZINC000095469172 564141204 /nfs/dbraw/zinc/14/12/04/564141204.db2.gz NAXSGWLEXWYGMC-CQSZACIVSA-N 1 2 344.422 3.594 50 0 EHAALO Cc1c[nH+]ccc1NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000095981985 564143754 /nfs/dbraw/zinc/14/37/54/564143754.db2.gz FLSLQPMKXCWNBS-CYBMUJFWSA-N 1 2 338.411 3.621 50 0 EHAALO C[C@@H](C(=O)Nc1cc(F)ccc1SCC(F)F)n1cc[nH+]c1 ZINC000096414513 564147708 /nfs/dbraw/zinc/14/77/08/564147708.db2.gz VNPFHAPKOCWCKK-VIFPVBQESA-N 1 2 329.347 3.579 50 0 EHAALO COc1ccc2[nH]c(SCc3[nH+]ccn3CC(F)(F)F)nc2c1 ZINC000057742081 564155627 /nfs/dbraw/zinc/15/56/27/564155627.db2.gz MQNSBKGYDRBEMU-UHFFFAOYSA-N 1 2 342.346 3.623 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c1C ZINC000057903083 564156503 /nfs/dbraw/zinc/15/65/03/564156503.db2.gz FYMGKWKKIQEQHA-AWEZNQCLSA-N 1 2 330.453 3.915 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)c1C ZINC000057903083 564156504 /nfs/dbraw/zinc/15/65/04/564156504.db2.gz FYMGKWKKIQEQHA-AWEZNQCLSA-N 1 2 330.453 3.915 50 0 EHAALO CC(C)CNC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000058073173 564157457 /nfs/dbraw/zinc/15/74/57/564157457.db2.gz QXSBJUSZIVLHDJ-KRWDZBQOSA-N 1 2 334.510 3.529 50 0 EHAALO CC(C)CNC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000058073173 564157458 /nfs/dbraw/zinc/15/74/58/564157458.db2.gz QXSBJUSZIVLHDJ-KRWDZBQOSA-N 1 2 334.510 3.529 50 0 EHAALO Cn1cc[nH+]c1[C@@H](Nc1ncnc2ccsc21)c1ccc(F)cc1 ZINC000008705081 564166423 /nfs/dbraw/zinc/16/64/23/564166423.db2.gz XMSIHOMLAXHXIL-AWEZNQCLSA-N 1 2 339.399 3.765 50 0 EHAALO C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(Cl)s1 ZINC000040145801 564168381 /nfs/dbraw/zinc/16/83/81/564168381.db2.gz QYSUZZSNOICDQA-LLVKDONJSA-N 1 2 338.864 3.659 50 0 EHAALO Cn1cc[nH+]c1-c1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000069350744 564168878 /nfs/dbraw/zinc/16/88/78/564168878.db2.gz OTEUOWWISCAHJO-UHFFFAOYSA-N 1 2 330.391 3.750 50 0 EHAALO O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069659942 564171250 /nfs/dbraw/zinc/17/12/50/564171250.db2.gz KNOHVPCNBDZRHG-LBPRGKRZSA-N 1 2 341.308 3.518 50 0 EHAALO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069660432 564171334 /nfs/dbraw/zinc/17/13/34/564171334.db2.gz RBZSAFGEWHPXQJ-CYBMUJFWSA-N 1 2 338.238 3.596 50 0 EHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000009466819 564173799 /nfs/dbraw/zinc/17/37/99/564173799.db2.gz ILUSKQPSYYBWQM-UHFFFAOYSA-N 1 2 345.349 3.839 50 0 EHAALO Cc1[nH]c2ccccc2c1C1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000052511517 564177303 /nfs/dbraw/zinc/17/73/03/564177303.db2.gz MBOATFQWNAVBCD-UHFFFAOYSA-N 1 2 346.438 3.537 50 0 EHAALO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000006937672 1030104028 /nfs/dbraw/zinc/10/40/28/1030104028.db2.gz IEADYJNSWBIDBC-UHFFFAOYSA-N 1 2 336.794 3.558 50 0 EHAALO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000006937672 1030104040 /nfs/dbraw/zinc/10/40/40/1030104040.db2.gz IEADYJNSWBIDBC-UHFFFAOYSA-N 1 2 336.794 3.558 50 0 EHAALO CCOc1ccccc1C[N@@H+]1CCO[C@@H](COC)[C@@H]1c1ccccc1 ZINC000581804365 1035605936 /nfs/dbraw/zinc/60/59/36/1035605936.db2.gz MXJOWQTWCZBUIZ-SFTDATJTSA-N 1 2 341.451 3.674 50 0 EHAALO CCOc1ccccc1C[N@H+]1CCO[C@@H](COC)[C@@H]1c1ccccc1 ZINC000581804365 1035605942 /nfs/dbraw/zinc/60/59/42/1035605942.db2.gz MXJOWQTWCZBUIZ-SFTDATJTSA-N 1 2 341.451 3.674 50 0 EHAALO Cc1ccc2occ(C[N@@H+]3Cc4ccccc4O[C@H](C)C3)c(=O)c2c1 ZINC000011999722 1129250440 /nfs/dbraw/zinc/25/04/40/1129250440.db2.gz BDFGDTYUOAPMPK-OAHLLOKOSA-N 1 2 335.403 3.885 50 0 EHAALO Cc1ccc2occ(C[N@H+]3Cc4ccccc4O[C@H](C)C3)c(=O)c2c1 ZINC000011999722 1129250442 /nfs/dbraw/zinc/25/04/42/1129250442.db2.gz BDFGDTYUOAPMPK-OAHLLOKOSA-N 1 2 335.403 3.885 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1CC1CN(C(=O)c2cccc(C)c2)C1 ZINC000575549895 1131572656 /nfs/dbraw/zinc/57/26/56/1131572656.db2.gz PMJWQJIBLIIGCX-UHFFFAOYSA-N 1 2 345.446 3.939 50 0 EHAALO Cc1c[nH+]c([C@H]2CCN(C(=O)NCCc3ccccc3)C2)n1C(C)C ZINC000581816323 1132373022 /nfs/dbraw/zinc/37/30/22/1132373022.db2.gz SPOKPWYZKYJTAJ-SFHVURJKSA-N 1 2 340.471 3.514 50 0 EHAALO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2c2cccs2)cnc1Cl ZINC000585089957 1136993138 /nfs/dbraw/zinc/99/31/38/1136993138.db2.gz CWCUXTMBUPJODK-CYBMUJFWSA-N 1 2 336.844 3.920 50 0 EHAALO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2c2cccs2)cnc1Cl ZINC000585089957 1136993139 /nfs/dbraw/zinc/99/31/39/1136993139.db2.gz CWCUXTMBUPJODK-CYBMUJFWSA-N 1 2 336.844 3.920 50 0 EHAALO Cc1cc2c(cc1C[N@@H+]1CCOc3ccc(Cl)cc3C1)OCCO2 ZINC000952965811 1137483915 /nfs/dbraw/zinc/48/39/15/1137483915.db2.gz UPSLVUXVAOJIRH-UHFFFAOYSA-N 1 2 345.826 3.814 50 0 EHAALO Cc1cc2c(cc1C[N@H+]1CCOc3ccc(Cl)cc3C1)OCCO2 ZINC000952965811 1137483917 /nfs/dbraw/zinc/48/39/17/1137483917.db2.gz UPSLVUXVAOJIRH-UHFFFAOYSA-N 1 2 345.826 3.814 50 0 EHAALO CC(C)(C)c1cc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccsc2)[nH]n1 ZINC000067490824 215154180 /nfs/dbraw/zinc/15/41/80/215154180.db2.gz SSKYNVOPVGHQIJ-QGZVFWFLSA-N 1 2 341.484 3.640 50 0 EHAALO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](c1cccs1)C(C)C ZINC000040023433 213251837 /nfs/dbraw/zinc/25/18/37/213251837.db2.gz WDDROPJPUCAMCW-SFHVURJKSA-N 1 2 327.453 3.920 50 0 EHAALO O=C(CCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000019798550 202021371 /nfs/dbraw/zinc/02/13/71/202021371.db2.gz FAQLEPILVVDIAQ-HXUWFJFHSA-N 1 2 327.399 3.862 50 0 EHAALO O=C(CCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000019798550 202021375 /nfs/dbraw/zinc/02/13/75/202021375.db2.gz FAQLEPILVVDIAQ-HXUWFJFHSA-N 1 2 327.399 3.862 50 0 EHAALO O=C(c1scc2c1CCCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019848796 202023974 /nfs/dbraw/zinc/02/39/74/202023974.db2.gz SYVSDDXKXZVSJT-UHFFFAOYSA-N 1 2 340.492 3.585 50 0 EHAALO Cc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cs1 ZINC000020352876 202038981 /nfs/dbraw/zinc/03/89/81/202038981.db2.gz NXTVCYMEVGXNHG-VMPITWQZSA-N 1 2 326.465 3.528 50 0 EHAALO Cc1cnccc1Cn1ccc(-c2cccc(-c3[nH+]ccn3C)c2)n1 ZINC000020864312 202056062 /nfs/dbraw/zinc/05/60/62/202056062.db2.gz PEKBWTBCUBRUPE-UHFFFAOYSA-N 1 2 329.407 3.702 50 0 EHAALO O=C(Nc1cccc2ccccc21)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000022064181 202078572 /nfs/dbraw/zinc/07/85/72/202078572.db2.gz VOJDXQKHCVQWFJ-UHFFFAOYSA-N 1 2 346.430 3.924 50 0 EHAALO CC(C)c1n[nH]c2c1C[N@H+](Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000023429838 202104397 /nfs/dbraw/zinc/10/43/97/202104397.db2.gz PCWXJOMEZDPVOG-KRWDZBQOSA-N 1 2 329.444 3.926 50 0 EHAALO CC(C)c1n[nH]c2c1C[N@@H+](Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000023429838 202104399 /nfs/dbraw/zinc/10/43/99/202104399.db2.gz PCWXJOMEZDPVOG-KRWDZBQOSA-N 1 2 329.444 3.926 50 0 EHAALO CC(C)c1[nH]nc2c1C[N@H+](Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000023429838 202104403 /nfs/dbraw/zinc/10/44/03/202104403.db2.gz PCWXJOMEZDPVOG-KRWDZBQOSA-N 1 2 329.444 3.926 50 0 EHAALO CC(C)c1[nH]nc2c1C[N@@H+](Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000023429838 202104406 /nfs/dbraw/zinc/10/44/06/202104406.db2.gz PCWXJOMEZDPVOG-KRWDZBQOSA-N 1 2 329.444 3.926 50 0 EHAALO COc1ccc(CCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000023563394 202105469 /nfs/dbraw/zinc/10/54/69/202105469.db2.gz MCZMTOITGIRIJW-MRXNPFEDSA-N 1 2 349.434 3.691 50 0 EHAALO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c(C)s1 ZINC000029987144 202192483 /nfs/dbraw/zinc/19/24/83/202192483.db2.gz QLHIHHUGBUNHLJ-INIZCTEOSA-N 1 2 343.427 3.757 50 0 EHAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)NCc1cccs1 ZINC000032777644 202234184 /nfs/dbraw/zinc/23/41/84/202234184.db2.gz HPHNTCJWXCCIJR-MRXNPFEDSA-N 1 2 334.872 3.855 50 0 EHAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1)NCc1cccs1 ZINC000032777644 202234185 /nfs/dbraw/zinc/23/41/85/202234185.db2.gz HPHNTCJWXCCIJR-MRXNPFEDSA-N 1 2 334.872 3.855 50 0 EHAALO Cn1c(Cc2cccs2)nn(C[N@H+](C2CC2)C2CCCC2)c1=S ZINC000032923198 202242483 /nfs/dbraw/zinc/24/24/83/202242483.db2.gz MMWJRELAVBQKCA-UHFFFAOYSA-N 1 2 348.541 3.968 50 0 EHAALO Cn1c(Cc2cccs2)nn(C[N@@H+](C2CC2)C2CCCC2)c1=S ZINC000032923198 202242484 /nfs/dbraw/zinc/24/24/84/202242484.db2.gz MMWJRELAVBQKCA-UHFFFAOYSA-N 1 2 348.541 3.968 50 0 EHAALO Cc1cc2[nH+]cn(CC(=O)N[C@H](C)c3ccc(F)cc3)c2cc1C ZINC000036691620 202329278 /nfs/dbraw/zinc/32/92/78/202329278.db2.gz SLDLPCKISCYORQ-CQSZACIVSA-N 1 2 325.387 3.670 50 0 EHAALO OCC1CCN(c2[nH+]cccc2NCc2sccc2Cl)CC1 ZINC000193180215 240050576 /nfs/dbraw/zinc/05/05/76/240050576.db2.gz QQICNKUPQIQSJA-UHFFFAOYSA-N 1 2 337.876 3.617 50 0 EHAALO CCc1ccc(C[N@@H+]2CCc3onc(-c4cccc(OC)c4)c3C2)nc1 ZINC000067654445 202922524 /nfs/dbraw/zinc/92/25/24/202922524.db2.gz KBMGXJSILWPDOY-UHFFFAOYSA-N 1 2 349.434 3.866 50 0 EHAALO CCc1ccc(C[N@H+]2CCc3onc(-c4cccc(OC)c4)c3C2)nc1 ZINC000067654445 202922525 /nfs/dbraw/zinc/92/25/25/202922525.db2.gz KBMGXJSILWPDOY-UHFFFAOYSA-N 1 2 349.434 3.866 50 0 EHAALO CC(C)(C)c1noc(C[NH+]2CCC(OCc3ccccc3)CC2)n1 ZINC000069589613 203023652 /nfs/dbraw/zinc/02/36/52/203023652.db2.gz DOLSZJYBTPEVCT-UHFFFAOYSA-N 1 2 329.444 3.548 50 0 EHAALO COC(=O)CCCC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071388629 203094268 /nfs/dbraw/zinc/09/42/68/203094268.db2.gz JOQYQDGFRARWJT-HNNXBMFYSA-N 1 2 346.254 3.710 50 0 EHAALO COC(=O)CCCC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071388629 203094273 /nfs/dbraw/zinc/09/42/73/203094273.db2.gz JOQYQDGFRARWJT-HNNXBMFYSA-N 1 2 346.254 3.710 50 0 EHAALO C[C@H]([NH2+]Cc1ccccc1OC1CCCC1)c1nnc2ccccn21 ZINC000071825184 203120837 /nfs/dbraw/zinc/12/08/37/203120837.db2.gz ZDPUGYKKOUZIPR-HNNXBMFYSA-N 1 2 336.439 3.902 50 0 EHAALO COc1cccc(NC2CC[NH+]([C@H](C)c3nc(C4CC4)no3)CC2)c1 ZINC000071893677 203140664 /nfs/dbraw/zinc/14/06/64/203140664.db2.gz PASUXRNVYAJIJU-CYBMUJFWSA-N 1 2 342.443 3.593 50 0 EHAALO c1c[nH+]c(-c2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)[nH]1 ZINC000072133772 203166764 /nfs/dbraw/zinc/16/67/64/203166764.db2.gz YAPMNYKRTXPCSD-UHFFFAOYSA-N 1 2 344.374 3.717 50 0 EHAALO COc1c(F)cc(CN2CCN(c3[nH+]cccc3C)CC2)cc1Cl ZINC000072147273 203171823 /nfs/dbraw/zinc/17/18/23/203171823.db2.gz VKZKSOHEPMJLRC-UHFFFAOYSA-N 1 2 349.837 3.513 50 0 EHAALO Fc1cc(Cl)ccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccccn1 ZINC000072480127 203233143 /nfs/dbraw/zinc/23/31/43/203233143.db2.gz LUNYUJRZFKTTSG-GOSISDBHSA-N 1 2 342.805 3.745 50 0 EHAALO Cc1csc([C@@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C2CC2)n1 ZINC000076069849 203335176 /nfs/dbraw/zinc/33/51/76/203335176.db2.gz UCKLCYLXZMFWAH-HNNXBMFYSA-N 1 2 341.440 3.680 50 0 EHAALO CC(C)=C[C@@H]1[C@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1(C)C ZINC000095348877 203714160 /nfs/dbraw/zinc/71/41/60/203714160.db2.gz JLHNZDRFFLLEAC-SJLPKXTDSA-N 1 2 327.472 3.536 50 0 EHAALO CC(C)=CCC[C@]1(C)CCC(=O)N(CC2=CSC3=[NH+]CCN23)C1 ZINC000101760547 204021377 /nfs/dbraw/zinc/02/13/77/204021377.db2.gz BGJMTBZJCGKGQS-GOSISDBHSA-N 1 2 333.501 3.621 50 0 EHAALO Cc1ccn2cc(CCNC(=O)c3cccc(C(F)(F)F)c3)[nH+]c2c1 ZINC000002960911 205636926 /nfs/dbraw/zinc/63/69/26/205636926.db2.gz WNPYYJPDDFECPX-UHFFFAOYSA-N 1 2 347.340 3.634 50 0 EHAALO C(=C\[NH+]1CCCCC1)\c1nnnn1-c1ccc(-c2ccccc2)cc1 ZINC000012367639 207124234 /nfs/dbraw/zinc/12/42/34/207124234.db2.gz HYGFOSZZEFNUBS-SSZFMOIBSA-N 1 2 331.423 3.786 50 0 EHAALO Cc1ccc([C@@]2(C(=O)NCc3c[nH+]cn3CC(C)C)CC2(C)C)cc1 ZINC000299800491 258103426 /nfs/dbraw/zinc/10/34/26/258103426.db2.gz SRCYXZWQXQYTEO-OAQYLSRUSA-N 1 2 339.483 3.832 50 0 EHAALO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc(F)cc1F ZINC000035226119 132388907 /nfs/dbraw/zinc/38/89/07/132388907.db2.gz UBZYLNYLMYRGBE-UHFFFAOYSA-N 1 2 346.381 3.672 50 0 EHAALO Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000014020484 563735907 /nfs/dbraw/zinc/73/59/07/563735907.db2.gz RDCWZZXUMVKKQW-QGZVFWFLSA-N 1 2 348.450 3.640 50 0 EHAALO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000014020484 563735912 /nfs/dbraw/zinc/73/59/12/563735912.db2.gz RDCWZZXUMVKKQW-QGZVFWFLSA-N 1 2 348.450 3.640 50 0 EHAALO Cn1ncc2c1nc[nH+]c2NCc1ccccc1COc1ccccc1 ZINC000014302080 563757567 /nfs/dbraw/zinc/75/75/67/563757567.db2.gz KEAUTORWPKQISW-UHFFFAOYSA-N 1 2 345.406 3.554 50 0 EHAALO Cc1ncsc1C(=O)NCc1ccc[nH+]c1N1CCCCCCC1 ZINC000014973862 563769678 /nfs/dbraw/zinc/76/96/78/563769678.db2.gz ZYLZLISDCCXLOS-UHFFFAOYSA-N 1 2 344.484 3.547 50 0 EHAALO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1C ZINC000016604276 563816580 /nfs/dbraw/zinc/81/65/80/563816580.db2.gz VMMSRBDGHLFTEZ-UHFFFAOYSA-N 1 2 342.870 3.915 50 0 EHAALO Cc1cc(NCCCN(C)c2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000060217861 563887738 /nfs/dbraw/zinc/88/77/38/563887738.db2.gz ZKDVNSOHWGDNNH-UHFFFAOYSA-N 1 2 333.439 3.785 50 0 EHAALO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1Cc1nc2ccccc2n1C ZINC000072253638 563889168 /nfs/dbraw/zinc/88/91/68/563889168.db2.gz QHCKOPFMOGDEPP-OAHLLOKOSA-N 1 2 343.862 3.606 50 0 EHAALO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1Cc1nc2ccccc2n1C ZINC000072253638 563889170 /nfs/dbraw/zinc/88/91/70/563889170.db2.gz QHCKOPFMOGDEPP-OAHLLOKOSA-N 1 2 343.862 3.606 50 0 EHAALO COc1ccc(C[N@H+](C)Cc2csc(-c3ccccn3)n2)cc1 ZINC000011050820 563905580 /nfs/dbraw/zinc/90/55/80/563905580.db2.gz YAWRJDHIBNUVDQ-UHFFFAOYSA-N 1 2 325.437 3.846 50 0 EHAALO COc1ccc(C[N@@H+](C)Cc2csc(-c3ccccn3)n2)cc1 ZINC000011050820 563905581 /nfs/dbraw/zinc/90/55/81/563905581.db2.gz YAWRJDHIBNUVDQ-UHFFFAOYSA-N 1 2 325.437 3.846 50 0 EHAALO C(=C/[NH+]1CCCCC1)\c1nnnn1-c1ccc(-c2ccccc2)cc1 ZINC000055135276 563933816 /nfs/dbraw/zinc/93/38/16/563933816.db2.gz HYGFOSZZEFNUBS-DTQAZKPQSA-N 1 2 331.423 3.786 50 0 EHAALO CC[N@H+](Cc1cccc(C(=O)OC)n1)Cc1cc(Cl)ccc1OC ZINC000055270657 563934278 /nfs/dbraw/zinc/93/42/78/563934278.db2.gz WJTUHCMKRBBPFI-UHFFFAOYSA-N 1 2 348.830 3.552 50 0 EHAALO CC[N@@H+](Cc1cccc(C(=O)OC)n1)Cc1cc(Cl)ccc1OC ZINC000055270657 563934279 /nfs/dbraw/zinc/93/42/79/563934279.db2.gz WJTUHCMKRBBPFI-UHFFFAOYSA-N 1 2 348.830 3.552 50 0 EHAALO O=C(CCCc1c[nH]c2ccccc12)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000058146441 563937734 /nfs/dbraw/zinc/93/77/34/563937734.db2.gz ABRAAENGISXVPD-GOSISDBHSA-N 1 2 336.439 3.968 50 0 EHAALO Cn1cc[nH+]c1CN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000058184734 563939290 /nfs/dbraw/zinc/93/92/90/563939290.db2.gz BDUNLFQESVBQRU-UHFFFAOYSA-N 1 2 338.333 3.635 50 0 EHAALO C[C@@H](C(=O)N[C@@H](Cc1ccccc1)c1cccs1)n1cc[nH+]c1 ZINC000096408539 563950235 /nfs/dbraw/zinc/95/02/35/563950235.db2.gz NNEXVQYQIIBKAB-HOCLYGCPSA-N 1 2 325.437 3.606 50 0 EHAALO CC(C)c1nc(-c2csc(C[NH+](C)C)n2)n(-c2ccccc2)n1 ZINC000065410007 563960410 /nfs/dbraw/zinc/96/04/10/563960410.db2.gz AJXDGMRZABIOGW-UHFFFAOYSA-N 1 2 327.457 3.576 50 0 EHAALO Cc1cc(N[C@H](C)c2cn3ccsc3n2)nc(-c2cccnc2)[nH+]1 ZINC000065494829 563961564 /nfs/dbraw/zinc/96/15/64/563961564.db2.gz PURREZRSZUQWJP-GFCCVEGCSA-N 1 2 336.424 3.729 50 0 EHAALO Cc1ccc2oc(N3CC[NH+](Cc4cc(C(C)C)no4)CC3)nc2c1 ZINC000065507191 563961729 /nfs/dbraw/zinc/96/17/29/563961729.db2.gz SETCLLRFWCSQCG-UHFFFAOYSA-N 1 2 340.427 3.570 50 0 EHAALO CS(=O)(=O)c1ccc(-c2[nH+]ccn2CCC2=CCCCC2)cc1 ZINC000067457748 563962275 /nfs/dbraw/zinc/96/22/75/563962275.db2.gz KZGPJLQWJUECSA-UHFFFAOYSA-N 1 2 330.453 3.844 50 0 EHAALO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000067742983 563962688 /nfs/dbraw/zinc/96/26/88/563962688.db2.gz NTYYWAHUWLIHMM-UHFFFAOYSA-N 1 2 330.819 3.669 50 0 EHAALO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+](C)Cc1cnn(C)c1 ZINC000067742983 563962689 /nfs/dbraw/zinc/96/26/89/563962689.db2.gz NTYYWAHUWLIHMM-UHFFFAOYSA-N 1 2 330.819 3.669 50 0 EHAALO CCC1=NO[C@H](C[N@@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)C1 ZINC000067935300 563963095 /nfs/dbraw/zinc/96/30/95/563963095.db2.gz VMLNXBKFHAGWSF-ZDUSSCGKSA-N 1 2 347.365 3.533 50 0 EHAALO CCC1=NO[C@H](C[N@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)C1 ZINC000067935300 563963096 /nfs/dbraw/zinc/96/30/96/563963096.db2.gz VMLNXBKFHAGWSF-ZDUSSCGKSA-N 1 2 347.365 3.533 50 0 EHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000091745326 563975721 /nfs/dbraw/zinc/97/57/21/563975721.db2.gz MFVBZNBXCHEROV-UHFFFAOYSA-N 1 2 336.439 3.965 50 0 EHAALO O=c1cc(C[N@@H+]2Cc3ccccc3[C@@H](O)C2)[nH]c2c(Cl)cccc12 ZINC000092046519 563976026 /nfs/dbraw/zinc/97/60/26/563976026.db2.gz RBVWANAPRJWPMA-SFHVURJKSA-N 1 2 340.810 3.643 50 0 EHAALO O=c1cc(C[N@H+]2Cc3ccccc3[C@@H](O)C2)[nH]c2c(Cl)cccc12 ZINC000092046519 563976027 /nfs/dbraw/zinc/97/60/27/563976027.db2.gz RBVWANAPRJWPMA-SFHVURJKSA-N 1 2 340.810 3.643 50 0 EHAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2ncccc2c1 ZINC000095498964 563977035 /nfs/dbraw/zinc/97/70/35/563977035.db2.gz DWYPHHJYQRGVKC-KRWDZBQOSA-N 1 2 337.427 3.668 50 0 EHAALO CCOc1ccccc1/C=C1\SC(=O)N(C[NH+]2CCCCC2)C1=O ZINC000033408880 563984005 /nfs/dbraw/zinc/98/40/05/563984005.db2.gz MIJRIUDRRJKSNG-VBKFSLOCSA-N 1 2 346.452 3.565 50 0 EHAALO c1cnn(-c2cc(NCc3ccccc3)[nH+]c(-c3ccccc3)n2)c1 ZINC000000300006 563990359 /nfs/dbraw/zinc/99/03/59/563990359.db2.gz HZUYAILRHJSXJH-UHFFFAOYSA-N 1 2 327.391 3.941 50 0 EHAALO Cc1ccc(Cl)c(N(Cc2[nH]cc[nH+]2)C(=O)c2cscn2)c1 ZINC000408515713 563993015 /nfs/dbraw/zinc/99/30/15/563993015.db2.gz MIRXSWULFGHIIG-UHFFFAOYSA-N 1 2 332.816 3.675 50 0 EHAALO Cc1noc([C@H](C)[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000047274080 564026037 /nfs/dbraw/zinc/02/60/37/564026037.db2.gz PIONKSPUIIWTEM-NSHDSACASA-N 1 2 326.375 3.849 50 0 EHAALO Cc1noc([C@H](C)[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000047274080 564026038 /nfs/dbraw/zinc/02/60/38/564026038.db2.gz PIONKSPUIIWTEM-NSHDSACASA-N 1 2 326.375 3.849 50 0 EHAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(Cl)cc1F)C2 ZINC000112667685 564032223 /nfs/dbraw/zinc/03/22/23/564032223.db2.gz LDQLZTUFQPGFHX-UHFFFAOYSA-N 1 2 335.810 3.535 50 0 EHAALO Cc1cc2[nH+]cn(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)c2cc1C ZINC000225506712 564047352 /nfs/dbraw/zinc/04/73/52/564047352.db2.gz YLBGPFDEBUKVPX-AEFFLSMTSA-N 1 2 325.456 3.834 50 0 EHAALO CC[N@@H+](Cc1c(F)cccc1Cl)C[C@@H]1Cc2c(nc(C)nc2C)O1 ZINC000252488694 564053422 /nfs/dbraw/zinc/05/34/22/564053422.db2.gz IXCPEPZLMDGLRX-ZDUSSCGKSA-N 1 2 349.837 3.712 50 0 EHAALO CC[N@H+](Cc1c(F)cccc1Cl)C[C@@H]1Cc2c(nc(C)nc2C)O1 ZINC000252488694 564053423 /nfs/dbraw/zinc/05/34/23/564053423.db2.gz IXCPEPZLMDGLRX-ZDUSSCGKSA-N 1 2 349.837 3.712 50 0 EHAALO Clc1ccc(C[NH+]2CCN(Cc3ccnc(Cl)c3)CC2)s1 ZINC000063517468 564057713 /nfs/dbraw/zinc/05/77/13/564057713.db2.gz HIRRETMYFCUWRU-UHFFFAOYSA-N 1 2 342.295 3.768 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000012507415 564058024 /nfs/dbraw/zinc/05/80/24/564058024.db2.gz TZLYVPDNTFTLTH-GOSISDBHSA-N 1 2 339.826 3.522 50 0 EHAALO O=C(NCC1CCN(c2cccc[nH+]2)CC1)Nc1ccccc1Cl ZINC000043976483 564058924 /nfs/dbraw/zinc/05/89/24/564058924.db2.gz SSXSZTKQOAOYCA-UHFFFAOYSA-N 1 2 344.846 3.773 50 0 EHAALO Cc1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1 ZINC000012559536 564059447 /nfs/dbraw/zinc/05/94/47/564059447.db2.gz PPGPHPMGLHUHCX-KRWDZBQOSA-N 1 2 338.386 3.779 50 0 EHAALO CCN(CC)C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000052917320 564063071 /nfs/dbraw/zinc/06/30/71/564063071.db2.gz NMNGCHVEZYZOBH-KRWDZBQOSA-N 1 2 334.510 3.626 50 0 EHAALO CCN(CC)C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000052917320 564063072 /nfs/dbraw/zinc/06/30/72/564063072.db2.gz NMNGCHVEZYZOBH-KRWDZBQOSA-N 1 2 334.510 3.626 50 0 EHAALO CCN(CC)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000052917318 564063080 /nfs/dbraw/zinc/06/30/80/564063080.db2.gz NMNGCHVEZYZOBH-QGZVFWFLSA-N 1 2 334.510 3.626 50 0 EHAALO CCN(CC)C(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000052917318 564063081 /nfs/dbraw/zinc/06/30/81/564063081.db2.gz NMNGCHVEZYZOBH-QGZVFWFLSA-N 1 2 334.510 3.626 50 0 EHAALO O=C(N[C@H](C1CCCC1)C(F)(F)F)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000127527233 564063761 /nfs/dbraw/zinc/06/37/61/564063761.db2.gz QYSQJALRYYERAG-QWHCGFSZSA-N 1 2 344.381 3.767 50 0 EHAALO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000084148730 564066998 /nfs/dbraw/zinc/06/69/98/564066998.db2.gz GBCITEVTVQYJNI-HKUYNNGSSA-N 1 2 340.471 3.764 50 0 EHAALO CC(=O)Nc1ccc(C)cc1NCc1[nH+]ccn1Cc1ccccc1 ZINC000088532921 564079540 /nfs/dbraw/zinc/07/95/40/564079540.db2.gz DFEVSJBTFNWXHV-UHFFFAOYSA-N 1 2 334.423 3.810 50 0 EHAALO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000092729984 564089115 /nfs/dbraw/zinc/08/91/15/564089115.db2.gz BDVFIMSYHFFTME-KRWDZBQOSA-N 1 2 337.427 3.536 50 0 EHAALO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000092729984 564089116 /nfs/dbraw/zinc/08/91/16/564089116.db2.gz BDVFIMSYHFFTME-KRWDZBQOSA-N 1 2 337.427 3.536 50 0 EHAALO Fc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286084 564104426 /nfs/dbraw/zinc/10/44/26/564104426.db2.gz DEYFRQCCLGLEHE-KRWDZBQOSA-N 1 2 338.386 3.998 50 0 EHAALO Fc1ccc(C[N@H+]2CCCC[C@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286084 564104427 /nfs/dbraw/zinc/10/44/27/564104427.db2.gz DEYFRQCCLGLEHE-KRWDZBQOSA-N 1 2 338.386 3.998 50 0 EHAALO O=C(NCCc1[nH+]ccn1C(F)F)Nc1ccc(Cl)c(Cl)c1 ZINC000065589830 564107856 /nfs/dbraw/zinc/10/78/56/564107856.db2.gz OIENPPYYYBMGBN-UHFFFAOYSA-N 1 2 349.168 3.949 50 0 EHAALO Cc1cccn2cc(CC(=O)N3CCC[C@H]3c3cccs3)[nH+]c12 ZINC000065512933 564106752 /nfs/dbraw/zinc/10/67/52/564106752.db2.gz DWHFSIABQMYEFR-HNNXBMFYSA-N 1 2 325.437 3.610 50 0 EHAALO O=C(NCCCCNc1cccc[nH+]1)c1[nH]c2ccccc2c1Cl ZINC000065519599 564106842 /nfs/dbraw/zinc/10/68/42/564106842.db2.gz RYWVOZHCDLKCMV-UHFFFAOYSA-N 1 2 342.830 3.838 50 0 EHAALO C[C@H](SCC(=O)C(C)(C)C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000170597180 564109138 /nfs/dbraw/zinc/10/91/38/564109138.db2.gz CQORNOWIWBKNPU-LBPRGKRZSA-N 1 2 345.468 3.752 50 0 EHAALO C[C@@H](SCC(=O)C(C)(C)C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000170597181 564109153 /nfs/dbraw/zinc/10/91/53/564109153.db2.gz CQORNOWIWBKNPU-GFCCVEGCSA-N 1 2 345.468 3.752 50 0 EHAALO CC(C)c1ccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000013325202 564111524 /nfs/dbraw/zinc/11/15/24/564111524.db2.gz TWMCHUITRZETSE-UHFFFAOYSA-N 1 2 338.455 3.555 50 0 EHAALO COCCOc1ccccc1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000170654122 564120919 /nfs/dbraw/zinc/12/09/19/564120919.db2.gz AGJLCWAULOTNQA-UHFFFAOYSA-N 1 2 326.318 3.738 50 0 EHAALO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1F ZINC000007927292 564125565 /nfs/dbraw/zinc/12/55/65/564125565.db2.gz LYSSYIYETMNEDW-CQSZACIVSA-N 1 2 348.443 3.507 50 0 EHAALO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1F ZINC000007927292 564125566 /nfs/dbraw/zinc/12/55/66/564125566.db2.gz LYSSYIYETMNEDW-CQSZACIVSA-N 1 2 348.443 3.507 50 0 EHAALO Cc1cc(CNC(=O)N2CCc3ccc(F)cc3[C@@H]2C)c[nH+]c1C ZINC000584896263 564131671 /nfs/dbraw/zinc/13/16/71/564131671.db2.gz SBYFEMAFRHSJHQ-AWEZNQCLSA-N 1 2 327.403 3.666 50 0 EHAALO Fc1ccc([C@H]([NH2+][C@@H]2CCOc3ccccc32)c2cnccn2)cc1 ZINC000253431961 564131787 /nfs/dbraw/zinc/13/17/87/564131787.db2.gz YZAVOAXGJWWUBA-XLIONFOSSA-N 1 2 335.382 3.819 50 0 EHAALO COC(=O)Nc1ccc(NCc2c[nH+]c3ccc(C)cn23)cc1F ZINC000096008574 564144614 /nfs/dbraw/zinc/14/46/14/564144614.db2.gz ODTZFOSCZQEZDW-UHFFFAOYSA-N 1 2 328.347 3.572 50 0 EHAALO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCSc2ccccc21 ZINC000096437599 564148083 /nfs/dbraw/zinc/14/80/83/564148083.db2.gz PYFZJZIIDAZPHS-OAHLLOKOSA-N 1 2 344.484 3.575 50 0 EHAALO Cc1cccc(-c2ccc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000161762402 564150039 /nfs/dbraw/zinc/15/00/39/564150039.db2.gz JVKPWOMJGDAUCL-FQEVSTJZSA-N 1 2 345.446 3.737 50 0 EHAALO CCCCOc1ccc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1 ZINC000002960761 564153798 /nfs/dbraw/zinc/15/37/98/564153798.db2.gz JZJNCXAGSRJXCS-UHFFFAOYSA-N 1 2 337.423 3.752 50 0 EHAALO Cc1ccc(NC(=O)COc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000003411756 564158042 /nfs/dbraw/zinc/15/80/42/564158042.db2.gz NLXVAPVDQSBRSV-UHFFFAOYSA-N 1 2 341.798 3.852 50 0 EHAALO Cc1cc(N2CCC(C)CC2)nc(SCC(=O)c2ccccc2)[nH+]1 ZINC000004130240 564160847 /nfs/dbraw/zinc/16/08/47/564160847.db2.gz GNCCDXMDOOVGGX-UHFFFAOYSA-N 1 2 341.480 3.996 50 0 EHAALO CCc1cc(NCc2c(C)nn(CC)c2C)nc(-c2ccncc2)[nH+]1 ZINC000068699521 564167641 /nfs/dbraw/zinc/16/76/41/564167641.db2.gz AFRGCLQMFQMODY-UHFFFAOYSA-N 1 2 336.443 3.546 50 0 EHAALO C[C@H](c1ccccc1F)[N@H+](Cc1nc(-c2cccnc2)no1)C1CC1 ZINC000069351553 564168915 /nfs/dbraw/zinc/16/89/15/564168915.db2.gz GCIJFIZUSNBIPW-CYBMUJFWSA-N 1 2 338.386 3.996 50 0 EHAALO C[C@H](c1ccccc1F)[N@@H+](Cc1nc(-c2cccnc2)no1)C1CC1 ZINC000069351553 564168916 /nfs/dbraw/zinc/16/89/16/564168916.db2.gz GCIJFIZUSNBIPW-CYBMUJFWSA-N 1 2 338.386 3.996 50 0 EHAALO Cc1cn2cc(NC(=O)COc3ccc4ccccc4c3)ccc2[nH+]1 ZINC000069372754 564169079 /nfs/dbraw/zinc/16/90/79/564169079.db2.gz CPFNLPJARACADU-UHFFFAOYSA-N 1 2 331.375 3.813 50 0 EHAALO O=C(Cc1ccc(-c2ccccc2)cc1)NCc1cn2ccccc2[nH+]1 ZINC000009219915 564171448 /nfs/dbraw/zinc/17/14/48/564171448.db2.gz LAGRBJDNGKTRIS-UHFFFAOYSA-N 1 2 341.414 3.860 50 0 EHAALO Cc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c1 ZINC000009338042 564172749 /nfs/dbraw/zinc/17/27/49/564172749.db2.gz MCFPWHHQSYLZJU-KRWDZBQOSA-N 1 2 338.386 3.779 50 0 EHAALO COc1ccc([C@@H](NC(=O)c2cc(C)cc(C)c2)c2[nH+]ccn2C)cc1 ZINC000009337918 564172758 /nfs/dbraw/zinc/17/27/58/564172758.db2.gz LNJPXPCKLAFROI-LJQANCHMSA-N 1 2 349.434 3.565 50 0 EHAALO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cc(F)ccc3F)n2)c1 ZINC000174656706 564174731 /nfs/dbraw/zinc/17/47/31/564174731.db2.gz ATZZHDHSRMAPFV-LLVKDONJSA-N 1 2 345.349 3.874 50 0 EHAALO COCCn1ccnc1C[NH+]1CCC(Sc2ccc(C)cc2)CC1 ZINC000824466589 1131207293 /nfs/dbraw/zinc/20/72/93/1131207293.db2.gz WMOPBXBQSXKRCL-UHFFFAOYSA-N 1 2 345.512 3.595 50 0 EHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000581806768 1132369190 /nfs/dbraw/zinc/36/91/90/1132369190.db2.gz XOQPSOCYDDYELH-GOSISDBHSA-N 1 2 338.455 3.607 50 0 EHAALO Clc1ccccc1Cn1ncc2c1nc[nH+]c2NC1CCCC1 ZINC000006764216 201695819 /nfs/dbraw/zinc/69/58/19/201695819.db2.gz OGSQQOFJPACXRO-UHFFFAOYSA-N 1 2 327.819 3.883 50 0 EHAALO CCc1nc(C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000067188673 215122011 /nfs/dbraw/zinc/12/20/11/215122011.db2.gz SDBNQEMNSAVZBS-NSHDSACASA-N 1 2 336.457 3.582 50 0 EHAALO CC(C)(C)c1cc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccsc2)[nH]n1 ZINC000067490822 215155026 /nfs/dbraw/zinc/15/50/26/215155026.db2.gz SSKYNVOPVGHQIJ-KRWDZBQOSA-N 1 2 341.484 3.640 50 0 EHAALO Fc1cccc(Cc2nnc(SCc3cn4ccccc4[nH+]3)o2)c1 ZINC000067754377 215203414 /nfs/dbraw/zinc/20/34/14/215203414.db2.gz JQPLUXYAJJCFKN-UHFFFAOYSA-N 1 2 340.383 3.740 50 0 EHAALO CCc1c[nH+]c(C)nc1NCc1cccnc1-n1cnc2ccccc21 ZINC000067754524 215203659 /nfs/dbraw/zinc/20/36/59/215203659.db2.gz FKXIWFMKLHYWAV-UHFFFAOYSA-N 1 2 344.422 3.693 50 0 EHAALO COCc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000018048370 201992405 /nfs/dbraw/zinc/99/24/05/201992405.db2.gz WTRGFYQLWTWWPE-HNNXBMFYSA-N 1 2 335.407 3.510 50 0 EHAALO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C ZINC000020394738 202040914 /nfs/dbraw/zinc/04/09/14/202040914.db2.gz WJNQLZLAFPHMOS-UHFFFAOYSA-N 1 2 341.430 3.792 50 0 EHAALO O=C(Nc1cccc(Cl)c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000020437774 202041321 /nfs/dbraw/zinc/04/13/21/202041321.db2.gz WKOIPIOADWNJMB-UHFFFAOYSA-N 1 2 347.821 3.829 50 0 EHAALO O=C(Nc1ccccc1Cl)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020508095 202046448 /nfs/dbraw/zinc/04/64/48/202046448.db2.gz YFPDOWJGRCAOKS-UHFFFAOYSA-N 1 2 347.821 3.829 50 0 EHAALO CCCc1cc([C@H]2CCC[N@@H+]2Cc2cc(OC)cc(OC)c2)no1 ZINC000021720462 202069899 /nfs/dbraw/zinc/06/98/99/202069899.db2.gz XNPKDBJPORMCHV-LJQANCHMSA-N 1 2 330.428 3.981 50 0 EHAALO CCCc1cc([C@H]2CCC[N@H+]2Cc2cc(OC)cc(OC)c2)no1 ZINC000021720462 202069902 /nfs/dbraw/zinc/06/99/02/202069902.db2.gz XNPKDBJPORMCHV-LJQANCHMSA-N 1 2 330.428 3.981 50 0 EHAALO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000023718557 202108744 /nfs/dbraw/zinc/10/87/44/202108744.db2.gz SKYJIPULMIDUBN-LJQANCHMSA-N 1 2 349.434 3.659 50 0 EHAALO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000023718557 202108745 /nfs/dbraw/zinc/10/87/45/202108745.db2.gz SKYJIPULMIDUBN-LJQANCHMSA-N 1 2 349.434 3.659 50 0 EHAALO O=C(NC1CCC(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025647290 202134350 /nfs/dbraw/zinc/13/43/50/202134350.db2.gz QOCDJZXVEPGJDU-UHFFFAOYSA-N 1 2 346.434 3.724 50 0 EHAALO O=C(NCc1ccco1)c1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000033264722 202253849 /nfs/dbraw/zinc/25/38/49/202253849.db2.gz AMWZKOZWEWSHBU-UHFFFAOYSA-N 1 2 345.402 3.871 50 0 EHAALO Cc1c2ccccc2sc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069917459 202297314 /nfs/dbraw/zinc/29/73/14/202297314.db2.gz WUGGLYAOFIQEHX-CQSZACIVSA-N 1 2 325.437 3.884 50 0 EHAALO O=C(c1cc(Cl)c2ccccc2n1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000283065375 201330494 /nfs/dbraw/zinc/33/04/94/201330494.db2.gz PDZMEJIRAXPGFV-INIZCTEOSA-N 1 2 340.814 3.979 50 0 EHAALO O=C(CCc1c[nH]c2ccccc12)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889477 212398672 /nfs/dbraw/zinc/39/86/72/212398672.db2.gz WFMJLNQJIVUXCL-UHFFFAOYSA-N 1 2 330.391 3.925 50 0 EHAALO Cc1nc2c(-c3ccccc3)cnn2c(NCCCn2cc[nH+]c2)c1C ZINC000005207558 201642755 /nfs/dbraw/zinc/64/27/55/201642755.db2.gz DJGAIXSAZRJAGY-UHFFFAOYSA-N 1 2 346.438 3.712 50 0 EHAALO Cn1c(SCc2cn3ccccc3[nH+]2)nnc1-c1ccc(F)cc1 ZINC000006105858 201673046 /nfs/dbraw/zinc/67/30/46/201673046.db2.gz BDOZTNMGDYLMSJ-UHFFFAOYSA-N 1 2 339.399 3.561 50 0 EHAALO COc1ccc(NC(=O)CCc2cc[nH+]c(N3CCCC3)c2)c(C)c1 ZINC000065269676 202833202 /nfs/dbraw/zinc/83/32/02/202833202.db2.gz KKMKYFKGYGJUAZ-UHFFFAOYSA-N 1 2 339.439 3.570 50 0 EHAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1sccc1C1CC1 ZINC000065478529 202852957 /nfs/dbraw/zinc/85/29/57/202852957.db2.gz YDBFYYZEJKTRFM-UHFFFAOYSA-N 1 2 337.448 3.800 50 0 EHAALO CCc1noc(C)c1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000020669842 212160417 /nfs/dbraw/zinc/16/04/17/212160417.db2.gz RBPYOWMILNIHJI-UHFFFAOYSA-N 1 2 338.411 3.874 50 0 EHAALO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)o1)c1ccc(Cl)s1 ZINC000069653824 203031406 /nfs/dbraw/zinc/03/14/06/203031406.db2.gz QQBUNHGDVMPMTF-JTQLQIEISA-N 1 2 335.816 3.730 50 0 EHAALO COc1ccc(OC)c(-c2nccn2-c2ccc3[nH+]c(C)[nH]c3c2)c1 ZINC000071775776 203111815 /nfs/dbraw/zinc/11/18/15/203111815.db2.gz OPHHAAIENKEASA-UHFFFAOYSA-N 1 2 334.379 3.741 50 0 EHAALO COc1ccc(OC)c(-c2nccn2-c2ccc3[nH]c(C)[nH+]c3c2)c1 ZINC000071775776 203111816 /nfs/dbraw/zinc/11/18/16/203111816.db2.gz OPHHAAIENKEASA-UHFFFAOYSA-N 1 2 334.379 3.741 50 0 EHAALO COc1cccc(C[C@H]2C[N@H+](Cc3cc4ccccc4[nH]3)CCO2)c1 ZINC000071738595 203104902 /nfs/dbraw/zinc/10/49/02/203104902.db2.gz NFUDRNFTMUVSSN-FQEVSTJZSA-N 1 2 336.435 3.620 50 0 EHAALO COc1cccc(C[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]3)CCO2)c1 ZINC000071738595 203104905 /nfs/dbraw/zinc/10/49/05/203104905.db2.gz NFUDRNFTMUVSSN-FQEVSTJZSA-N 1 2 336.435 3.620 50 0 EHAALO CS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2cccc(F)c2)cc1 ZINC000072149973 203173623 /nfs/dbraw/zinc/17/36/23/203173623.db2.gz MJQFMDPOQUUPOW-IBGZPJMESA-N 1 2 347.455 3.956 50 0 EHAALO CS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2cccc(F)c2)cc1 ZINC000072149973 203173626 /nfs/dbraw/zinc/17/36/26/203173626.db2.gz MJQFMDPOQUUPOW-IBGZPJMESA-N 1 2 347.455 3.956 50 0 EHAALO CCCCc1nc(Cl)c(C[N@@H+]2CC[C@@H](n3nc(C)cc3C)C2)[nH]1 ZINC000072153879 203174854 /nfs/dbraw/zinc/17/48/54/203174854.db2.gz RHZAVZQUERWMMN-CQSZACIVSA-N 1 2 335.883 3.666 50 0 EHAALO CCCCc1nc(Cl)c(C[N@H+]2CC[C@@H](n3nc(C)cc3C)C2)[nH]1 ZINC000072153879 203174857 /nfs/dbraw/zinc/17/48/57/203174857.db2.gz RHZAVZQUERWMMN-CQSZACIVSA-N 1 2 335.883 3.666 50 0 EHAALO C[C@H](CC(=O)N1CCc2[nH]c3c(cccc3Cl)c2C1)n1cc[nH+]c1 ZINC000072456707 203228400 /nfs/dbraw/zinc/22/84/00/203228400.db2.gz UGJOOXWRUYGTLE-GFCCVEGCSA-N 1 2 342.830 3.554 50 0 EHAALO c1coc(CN2CCc3[nH+]c[nH]c3[C@H]2c2cc(-c3ccccc3)no2)c1 ZINC000072479363 203232375 /nfs/dbraw/zinc/23/23/75/203232375.db2.gz ZFWKNXDGXPSQHB-HXUWFJFHSA-N 1 2 346.390 3.805 50 0 EHAALO CCC[C@H](NC(=O)c1oc2c(cccc2F)c1C)c1[nH+]ccn1C ZINC000077406197 203386569 /nfs/dbraw/zinc/38/65/69/203386569.db2.gz UPLQBVZPWXAADA-AWEZNQCLSA-N 1 2 329.375 3.885 50 0 EHAALO Cc1c2ccc(C)c(C)c2oc1C(=O)N(C)CCCc1[nH+]ccn1C ZINC000077505566 203392115 /nfs/dbraw/zinc/39/21/15/203392115.db2.gz HMERZCMCKSTKLY-UHFFFAOYSA-N 1 2 339.439 3.796 50 0 EHAALO Cc1nc(/C=C\C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000096936716 203901129 /nfs/dbraw/zinc/90/11/29/203901129.db2.gz HGFFOERBNACSEF-DMTLFAOVSA-N 1 2 338.436 3.528 50 0 EHAALO COc1ccc(C[N@H+](Cc2nc(-c3cccs3)no2)C2CC2)cc1 ZINC000014066618 211675770 /nfs/dbraw/zinc/67/57/70/211675770.db2.gz HXFNPRSWVDWNTM-UHFFFAOYSA-N 1 2 341.436 3.971 50 0 EHAALO COc1ccc(C[N@@H+](Cc2nc(-c3cccs3)no2)C2CC2)cc1 ZINC000014066618 211675772 /nfs/dbraw/zinc/67/57/72/211675772.db2.gz HXFNPRSWVDWNTM-UHFFFAOYSA-N 1 2 341.436 3.971 50 0 EHAALO CCn1c[nH+]cc1CNC(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000299782303 258090545 /nfs/dbraw/zinc/09/05/45/258090545.db2.gz MJRKSJFJMGSANB-UHFFFAOYSA-N 1 2 336.823 3.665 50 0 EHAALO CCC[C@H](NC(=O)Nc1ccc2ncsc2c1)c1[nH+]ccn1C ZINC000299759914 258077236 /nfs/dbraw/zinc/07/72/36/258077236.db2.gz OTACVZCIPKSMFW-ZDUSSCGKSA-N 1 2 329.429 3.693 50 0 EHAALO CC(=O)c1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000055031521 132192773 /nfs/dbraw/zinc/19/27/73/132192773.db2.gz PXZPMTYACBKMNL-UHFFFAOYSA-N 1 2 328.843 3.865 50 0 EHAALO COc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c(OC)c1 ZINC000055543089 132195633 /nfs/dbraw/zinc/19/56/33/132195633.db2.gz VVMREUIIUWMAFF-UHFFFAOYSA-N 1 2 346.858 3.679 50 0 EHAALO Fc1ccccc1N1CC[NH+](Cn2c3ccccc3oc2=S)CC1 ZINC000057401091 132200372 /nfs/dbraw/zinc/20/03/72/132200372.db2.gz CRPCSSJPAMZFRR-UHFFFAOYSA-N 1 2 343.427 3.883 50 0 EHAALO CC1CCN(c2ccc(CNC(=O)c3ccccc3Cl)c[nH+]2)CC1 ZINC000040122058 132398983 /nfs/dbraw/zinc/39/89/83/132398983.db2.gz GVACCIFJFSUEJQ-UHFFFAOYSA-N 1 2 343.858 3.901 50 0 EHAALO CC(C)c1ccc(C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)cc1 ZINC000328586493 519836409 /nfs/dbraw/zinc/83/64/09/519836409.db2.gz LEKDUJWCXZGFCE-SFHVURJKSA-N 1 2 339.483 3.567 50 0 EHAALO CC(C)N(Cc1c[nH+]c[nH]1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000193385866 535086568 /nfs/dbraw/zinc/08/65/68/535086568.db2.gz REHUZTSNSLTQHX-UHFFFAOYSA-N 1 2 331.807 3.524 50 0 EHAALO CC(C)N(Cc1c[nH]c[nH+]1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000193385866 535086571 /nfs/dbraw/zinc/08/65/71/535086571.db2.gz REHUZTSNSLTQHX-UHFFFAOYSA-N 1 2 331.807 3.524 50 0 EHAALO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2cnc(-c3ccccn3)nc2)no1 ZINC000215215121 535370229 /nfs/dbraw/zinc/37/02/29/535370229.db2.gz ZTMYZDQEUMRWPT-SFHVURJKSA-N 1 2 349.438 3.987 50 0 EHAALO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2cnc(-c3ccccn3)nc2)no1 ZINC000215215121 535370230 /nfs/dbraw/zinc/37/02/30/535370230.db2.gz ZTMYZDQEUMRWPT-SFHVURJKSA-N 1 2 349.438 3.987 50 0 EHAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1c(C)cc(C)cc1C ZINC000000106864 563228392 /nfs/dbraw/zinc/22/83/92/563228392.db2.gz GZZYTKJWRQEJEN-QGZVFWFLSA-N 1 2 338.451 3.964 50 0 EHAALO CCc1nc(-c2ccc(C(=O)NC[C@@H](C)n3cc[nH+]c3)cc2)ccc1C ZINC000584902200 563417608 /nfs/dbraw/zinc/41/76/08/563417608.db2.gz WZBHHJUZVBMMJW-MRXNPFEDSA-N 1 2 348.450 3.807 50 0 EHAALO CCn1nc(C)c(CNc2nc(-c3ccncc3)[nH+]c(C)c2C)c1C ZINC000071904586 563560323 /nfs/dbraw/zinc/56/03/23/563560323.db2.gz SILMAXSKOMSRSR-UHFFFAOYSA-N 1 2 336.443 3.601 50 0 EHAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1cccc(Cl)c1Cl ZINC000009096087 563641924 /nfs/dbraw/zinc/64/19/24/563641924.db2.gz DUXOKNRYBLYNOQ-UHFFFAOYSA-N 1 2 335.234 3.990 50 0 EHAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1cccc(Cl)c1Cl ZINC000009096087 563641926 /nfs/dbraw/zinc/64/19/26/563641926.db2.gz DUXOKNRYBLYNOQ-UHFFFAOYSA-N 1 2 335.234 3.990 50 0 EHAALO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000011661902 563650411 /nfs/dbraw/zinc/65/04/11/563650411.db2.gz QZOZBTIIXXRETK-QGZVFWFLSA-N 1 2 345.446 3.756 50 0 EHAALO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000011661902 563650413 /nfs/dbraw/zinc/65/04/13/563650413.db2.gz QZOZBTIIXXRETK-QGZVFWFLSA-N 1 2 345.446 3.756 50 0 EHAALO CCOc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012629466 563666114 /nfs/dbraw/zinc/66/61/14/563666114.db2.gz DMPFSGIQUZBULO-HNNXBMFYSA-N 1 2 335.407 3.762 50 0 EHAALO CSc1ccccc1N1C(=O)[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C)s1 ZINC000015003303 563771062 /nfs/dbraw/zinc/77/10/62/563771062.db2.gz NLQQSJXDRDLTCV-BBRMVZONSA-N 1 2 344.505 3.768 50 0 EHAALO CSc1ccccc1N1C(=O)[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C)s1 ZINC000015003303 563771065 /nfs/dbraw/zinc/77/10/65/563771065.db2.gz NLQQSJXDRDLTCV-BBRMVZONSA-N 1 2 344.505 3.768 50 0 EHAALO CCc1c(C)scc1C(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000016580675 563815339 /nfs/dbraw/zinc/81/53/39/563815339.db2.gz OIPZJQTWORIUOB-UHFFFAOYSA-N 1 2 346.471 3.716 50 0 EHAALO c1ccc2cc(-c3nn4c(C[NH+]5CCCCC5)nnc4s3)ccc2c1 ZINC000039389221 563922585 /nfs/dbraw/zinc/92/25/85/563922585.db2.gz NHPANDIJWZCBJL-UHFFFAOYSA-N 1 2 349.463 3.992 50 0 EHAALO CCn1cc(C[N@H+](Cc2cccnc2)Cc2ccccc2OC)cn1 ZINC000055282281 563934274 /nfs/dbraw/zinc/93/42/74/563934274.db2.gz DUXLSYALTYYWIM-UHFFFAOYSA-N 1 2 336.439 3.509 50 0 EHAALO CCn1cc(C[N@@H+](Cc2cccnc2)Cc2ccccc2OC)cn1 ZINC000055282281 563934275 /nfs/dbraw/zinc/93/42/75/563934275.db2.gz DUXLSYALTYYWIM-UHFFFAOYSA-N 1 2 336.439 3.509 50 0 EHAALO CC(C)Cn1c[nH+]cc1CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000055270521 563934311 /nfs/dbraw/zinc/93/43/11/563934311.db2.gz NKTUNKNANDNKKF-UHFFFAOYSA-N 1 2 329.488 3.762 50 0 EHAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1c(F)cccc1Cl ZINC000058305190 563942075 /nfs/dbraw/zinc/94/20/75/563942075.db2.gz HNOXEXSCAZMGGO-UHFFFAOYSA-N 1 2 329.762 3.595 50 0 EHAALO CO[C@H](C)c1cccc(NC(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000096434563 563953115 /nfs/dbraw/zinc/95/31/15/563953115.db2.gz JXXUZGYOPQIDQJ-CQSZACIVSA-N 1 2 330.432 3.568 50 0 EHAALO Cc1ncc([C@@H](C)[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)s1 ZINC000096485584 563955481 /nfs/dbraw/zinc/95/54/81/563955481.db2.gz QQQSWVGUSLEKAY-RDTXWAMCSA-N 1 2 343.496 3.856 50 0 EHAALO CC[NH+](CC)Cc1nnc2sc(/C=C/c3ccc(Cl)cc3)nn12 ZINC000065365881 563958261 /nfs/dbraw/zinc/95/82/61/563958261.db2.gz CCVVYQUWWBGONE-JXMROGBWSA-N 1 2 347.875 3.851 50 0 EHAALO Cc1ncnc(NCc2ccc[nH+]c2N(C)Cc2ccccc2)c1C ZINC000067742446 563962671 /nfs/dbraw/zinc/96/26/71/563962671.db2.gz WDTKWXVHXOKIHS-UHFFFAOYSA-N 1 2 333.439 3.737 50 0 EHAALO Cc1cc(C)c(-c2[nH+]ccn2CCc2ccccn2)c(-n2cccn2)c1 ZINC000067769891 563962686 /nfs/dbraw/zinc/96/26/86/563962686.db2.gz MFYUJSJMMGUDAC-UHFFFAOYSA-N 1 2 343.434 3.990 50 0 EHAALO C[C@@H]1C[N@@H+](CCOc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000016247288 563976147 /nfs/dbraw/zinc/97/61/47/563976147.db2.gz BONSDELIHFKTAA-PHIMTYICSA-N 1 2 348.668 3.591 50 0 EHAALO C[C@@H]1C[N@H+](CCOc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000016247288 563976148 /nfs/dbraw/zinc/97/61/48/563976148.db2.gz BONSDELIHFKTAA-PHIMTYICSA-N 1 2 348.668 3.591 50 0 EHAALO CCCc1nnc(N2CCC(c3[nH]c4ccc(C)cc4[nH+]3)CC2)o1 ZINC000095373887 563976843 /nfs/dbraw/zinc/97/68/43/563976843.db2.gz ZCPOCFABHMVDMT-UHFFFAOYSA-N 1 2 325.416 3.591 50 0 EHAALO COCC[C@@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CCO1 ZINC000097468067 563981525 /nfs/dbraw/zinc/98/15/25/563981525.db2.gz DSHIOAXQTMXNQH-HXUWFJFHSA-N 1 2 327.424 3.716 50 0 EHAALO COCC[C@@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CCO1 ZINC000097468067 563981526 /nfs/dbraw/zinc/98/15/26/563981526.db2.gz DSHIOAXQTMXNQH-HXUWFJFHSA-N 1 2 327.424 3.716 50 0 EHAALO Cc1ccc(F)c(NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)c1 ZINC000408517644 563992903 /nfs/dbraw/zinc/99/29/03/563992903.db2.gz LFWWOXNRLKAHOD-SNVBAGLBSA-N 1 2 329.297 3.542 50 0 EHAALO COc1ccc(NC(=O)Cn2c(C)[nH+]c3ccccc32)cc1Cl ZINC000005238402 564001431 /nfs/dbraw/zinc/00/14/31/564001431.db2.gz SUVQBGHEFIZGFZ-UHFFFAOYSA-N 1 2 329.787 3.645 50 0 EHAALO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000051148137 564020428 /nfs/dbraw/zinc/02/04/28/564020428.db2.gz YOROJLCNEUKYJC-LBPRGKRZSA-N 1 2 328.416 3.932 50 0 EHAALO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000051148137 564020429 /nfs/dbraw/zinc/02/04/29/564020429.db2.gz YOROJLCNEUKYJC-LBPRGKRZSA-N 1 2 328.416 3.932 50 0 EHAALO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3cc(C)no3)co2)cc1 ZINC000047273730 564026062 /nfs/dbraw/zinc/02/60/62/564026062.db2.gz JOSDPTJIEKIWNS-KRWDZBQOSA-N 1 2 339.395 3.984 50 0 EHAALO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3cc(C)no3)co2)cc1 ZINC000047273730 564026063 /nfs/dbraw/zinc/02/60/63/564026063.db2.gz JOSDPTJIEKIWNS-KRWDZBQOSA-N 1 2 339.395 3.984 50 0 EHAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(F)c3)o2)on1 ZINC000075640499 564032013 /nfs/dbraw/zinc/03/20/13/564032013.db2.gz IYGMRPJVPDZTBJ-CQSZACIVSA-N 1 2 328.347 3.509 50 0 EHAALO Cc1cc([C@H]2CCC[N@H+]2Cc2nnc(-c3cccc(F)c3)o2)on1 ZINC000075640499 564032014 /nfs/dbraw/zinc/03/20/14/564032014.db2.gz IYGMRPJVPDZTBJ-CQSZACIVSA-N 1 2 328.347 3.509 50 0 EHAALO Cc1[nH]c2ccc(CNC(=O)Cc3ccc(F)cc3Cl)cc2[nH+]1 ZINC000215676442 564033638 /nfs/dbraw/zinc/03/36/38/564033638.db2.gz ZRRVXAUTEMROLS-UHFFFAOYSA-N 1 2 331.778 3.523 50 0 EHAALO Cc1[nH]c2cc(CNC(=O)Cc3ccc(F)cc3Cl)ccc2[nH+]1 ZINC000215676442 564033639 /nfs/dbraw/zinc/03/36/39/564033639.db2.gz ZRRVXAUTEMROLS-UHFFFAOYSA-N 1 2 331.778 3.523 50 0 EHAALO C[C@@H](NC(=O)c1cccc2cccnc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008012737 564034631 /nfs/dbraw/zinc/03/46/31/564034631.db2.gz KQSFKUNUNUDOBR-OAHLLOKOSA-N 1 2 342.402 3.912 50 0 EHAALO COc1cccc(Cc2[nH+]ccc3cc(OC)c(OC)cc32)c1OC ZINC000000816349 564034938 /nfs/dbraw/zinc/03/49/38/564034938.db2.gz UTQGVEHDPNYUEK-UHFFFAOYSA-N 1 2 339.391 3.860 50 0 EHAALO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000225408245 564046488 /nfs/dbraw/zinc/04/64/88/564046488.db2.gz JGBTYLJLEKXBPZ-UXHICEINSA-N 1 2 349.478 3.657 50 0 EHAALO COc1cc(Cl)c(C)cc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000241371325 564051985 /nfs/dbraw/zinc/05/19/85/564051985.db2.gz MMPOWNQWJBTMOD-UHFFFAOYSA-N 1 2 346.805 3.573 50 0 EHAALO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000252480635 564053362 /nfs/dbraw/zinc/05/33/62/564053362.db2.gz CBRAMZCZJQHCSU-OAHLLOKOSA-N 1 2 330.403 3.762 50 0 EHAALO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000252480635 564053363 /nfs/dbraw/zinc/05/33/63/564053363.db2.gz CBRAMZCZJQHCSU-OAHLLOKOSA-N 1 2 330.403 3.762 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000012507413 564058042 /nfs/dbraw/zinc/05/80/42/564058042.db2.gz TZLYVPDNTFTLTH-SFHVURJKSA-N 1 2 339.826 3.522 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000012559864 564059466 /nfs/dbraw/zinc/05/94/66/564059466.db2.gz XVLVJHBHBKTWOF-INIZCTEOSA-N 1 2 343.789 3.732 50 0 EHAALO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1C ZINC000012574937 564059950 /nfs/dbraw/zinc/05/99/50/564059950.db2.gz NIZNNKCKMVLGMQ-GOSISDBHSA-N 1 2 337.398 3.695 50 0 EHAALO CC(C)[C@H]1C=CCN1C(=O)c1cccc(-c2[nH+]cnc3[nH]ccc32)c1 ZINC000534636230 564061378 /nfs/dbraw/zinc/06/13/78/564061378.db2.gz DDBLKJNBNNRDMU-QGZVFWFLSA-N 1 2 332.407 3.613 50 0 EHAALO C[N@H+](Cc1ccccc1Cl)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000012778230 564069684 /nfs/dbraw/zinc/06/96/84/564069684.db2.gz XVHQOSNBCNTTCW-GOSISDBHSA-N 1 2 328.843 3.792 50 0 EHAALO C[N@@H+](Cc1ccccc1Cl)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000012778230 564069685 /nfs/dbraw/zinc/06/96/85/564069685.db2.gz XVHQOSNBCNTTCW-GOSISDBHSA-N 1 2 328.843 3.792 50 0 EHAALO Cc1nn(C[NH+]2CCC(CCc3ccccc3)CC2)c(=S)n1C ZINC000012813529 564073025 /nfs/dbraw/zinc/07/30/25/564073025.db2.gz PPLLENFZLAUEQH-UHFFFAOYSA-N 1 2 330.501 3.562 50 0 EHAALO C[C@H](c1ccco1)N(C(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)C1CC1 ZINC000086428319 564075668 /nfs/dbraw/zinc/07/56/68/564075668.db2.gz RHFILCLBLAAYRO-BMFZPTHFSA-N 1 2 328.416 3.505 50 0 EHAALO CSc1cccc(CN(C)c2cc([C@@H]3CCOC3)[nH+]c(C)n2)c1 ZINC000426444634 564093787 /nfs/dbraw/zinc/09/37/87/564093787.db2.gz PLLJQDFOKCLDKI-OAHLLOKOSA-N 1 2 329.469 3.647 50 0 EHAALO O=C(NCCCOC1CCCC1)Nc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000426574987 564094142 /nfs/dbraw/zinc/09/41/42/564094142.db2.gz IREYXYCDNPCANH-UHFFFAOYSA-N 1 2 328.416 3.548 50 0 EHAALO Cc1cc(-c2ccc(C(=O)N[C@H](c3[nH+]ccn3C)C(C)C)cc2)ccn1 ZINC000426674019 564094323 /nfs/dbraw/zinc/09/43/23/564094323.db2.gz IRSVDVSYENQWLX-IBGZPJMESA-N 1 2 348.450 3.918 50 0 EHAALO O=C1c2ccccc2N[C@@H](c2ccc(-n3cc[nH+]c3)cc2)N1C1CC1 ZINC000007128538 564105200 /nfs/dbraw/zinc/10/52/00/564105200.db2.gz XOHYVBTYOFAHIH-LJQANCHMSA-N 1 2 330.391 3.601 50 0 EHAALO O=C(Nc1cccc(OCCn2cc[nH+]c2)c1)c1cccc(Cl)c1 ZINC000042706566 564111091 /nfs/dbraw/zinc/11/10/91/564111091.db2.gz WSPLABBYJBINKU-UHFFFAOYSA-N 1 2 341.798 3.868 50 0 EHAALO Cc1cnc([C@@H]([NH2+]Cc2nccn2Cc2ccccc2)C2CC2)s1 ZINC000089702401 564113198 /nfs/dbraw/zinc/11/31/98/564113198.db2.gz VNPPHGPJPNDDAK-SFHVURJKSA-N 1 2 338.480 3.937 50 0 EHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCCCOC(C)C)c(C)c1 ZINC000002362819 564133744 /nfs/dbraw/zinc/13/37/44/564133744.db2.gz KSPBLXWSFMWMAQ-UHFFFAOYSA-N 1 2 339.443 3.659 50 0 EHAALO Cc1[nH+]c2ccccc2n1C1CCN(c2nnc(C3CC3)s2)CC1 ZINC000390834447 564138923 /nfs/dbraw/zinc/13/89/23/564138923.db2.gz ZAWUSWFMKOGHJM-UHFFFAOYSA-N 1 2 339.468 3.915 50 0 EHAALO COc1ccc(CNc2ccccc2OCCn2cc[nH+]c2)cc1F ZINC000095428811 564140264 /nfs/dbraw/zinc/14/02/64/564140264.db2.gz HJZNXEOHACPUHQ-UHFFFAOYSA-N 1 2 341.386 3.722 50 0 EHAALO CN(Cc1[nH+]ccn1C)C(=O)NCC1(c2cccs2)CCCCC1 ZINC000095460411 564140752 /nfs/dbraw/zinc/14/07/52/564140752.db2.gz PMRWGMXZVIUZOH-UHFFFAOYSA-N 1 2 346.500 3.525 50 0 EHAALO CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000095958866 564142622 /nfs/dbraw/zinc/14/26/22/564142622.db2.gz JYJUGUBFKLHLCZ-CYBMUJFWSA-N 1 2 347.846 3.627 50 0 EHAALO COc1ccc([C@H](C)[NH2+]Cc2nccn2Cc2ccccc2)c(F)c1 ZINC000095968679 564143259 /nfs/dbraw/zinc/14/32/59/564143259.db2.gz VNVKYCWJSVNKQK-HNNXBMFYSA-N 1 2 339.414 3.930 50 0 EHAALO C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1cccc(N2CCCC2=O)c1 ZINC000095984693 564143886 /nfs/dbraw/zinc/14/38/86/564143886.db2.gz PPZKAHAEOLUMEX-AWEZNQCLSA-N 1 2 341.455 3.950 50 0 EHAALO O=c1nc(C[NH+]2CCCCC2)[nH]c2scc(-c3ccccc3)c21 ZINC000002626675 564151338 /nfs/dbraw/zinc/15/13/38/564151338.db2.gz LXMLWTIVJAMXRA-UHFFFAOYSA-N 1 2 325.437 3.638 50 0 EHAALO Cc1cc(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccccc2)no1 ZINC000057378914 564153812 /nfs/dbraw/zinc/15/38/12/564153812.db2.gz GINYPPYPMACEKT-IBGZPJMESA-N 1 2 335.407 3.795 50 0 EHAALO Cc1cc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)no1 ZINC000057378914 564153813 /nfs/dbraw/zinc/15/38/13/564153813.db2.gz GINYPPYPMACEKT-IBGZPJMESA-N 1 2 335.407 3.795 50 0 EHAALO Fc1cc2nc(SCc3[nH+]ccn3CC(F)(F)F)[nH]c2cc1F ZINC000057747684 564155605 /nfs/dbraw/zinc/15/56/05/564155605.db2.gz LFFWFSTUDCBMLI-UHFFFAOYSA-N 1 2 348.300 3.892 50 0 EHAALO C[N@H+](Cn1nc(-c2ccc3c(c2)OCO3)oc1=S)C1CCCCC1 ZINC000003229026 564156299 /nfs/dbraw/zinc/15/62/99/564156299.db2.gz ABXNDKJXQCLKEI-UHFFFAOYSA-N 1 2 347.440 3.823 50 0 EHAALO C[N@@H+](Cn1nc(-c2ccc3c(c2)OCO3)oc1=S)C1CCCCC1 ZINC000003229026 564156300 /nfs/dbraw/zinc/15/63/00/564156300.db2.gz ABXNDKJXQCLKEI-UHFFFAOYSA-N 1 2 347.440 3.823 50 0 EHAALO O=C(Cn1c2ccccc2[nH+]c1NCc1ccccc1)NC1CCCC1 ZINC000007989844 564161962 /nfs/dbraw/zinc/16/19/62/564161962.db2.gz GBQNBBVIMJWLHY-UHFFFAOYSA-N 1 2 348.450 3.707 50 0 EHAALO CCn1c(=S)n(C[N@H+](C)Cc2ccccc2)nc1-c1ccncc1 ZINC000008053208 564162417 /nfs/dbraw/zinc/16/24/17/564162417.db2.gz NIKMZIPXLZSBOV-UHFFFAOYSA-N 1 2 339.468 3.585 50 0 EHAALO CCn1c(=S)n(C[N@@H+](C)Cc2ccccc2)nc1-c1ccncc1 ZINC000008053208 564162418 /nfs/dbraw/zinc/16/24/18/564162418.db2.gz NIKMZIPXLZSBOV-UHFFFAOYSA-N 1 2 339.468 3.585 50 0 EHAALO O=c1c2ccccc2cnn1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000066796039 564164116 /nfs/dbraw/zinc/16/41/16/564164116.db2.gz MWWZMGCVBQOCLM-SFHVURJKSA-N 1 2 333.435 3.624 50 0 EHAALO O=c1c2ccccc2cnn1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000066796039 564164117 /nfs/dbraw/zinc/16/41/17/564164117.db2.gz MWWZMGCVBQOCLM-SFHVURJKSA-N 1 2 333.435 3.624 50 0 EHAALO Cc1n[nH]c(C2CC[NH+](Cc3cc(C4CCCCC4)no3)CC2)n1 ZINC000670470250 564164634 /nfs/dbraw/zinc/16/46/34/564164634.db2.gz JLSLBFBXYTUNCH-UHFFFAOYSA-N 1 2 329.448 3.528 50 0 EHAALO Cc1nc(C2CC[NH+](Cc3cc(C4CCCCC4)no3)CC2)n[nH]1 ZINC000670470250 564164635 /nfs/dbraw/zinc/16/46/35/564164635.db2.gz JLSLBFBXYTUNCH-UHFFFAOYSA-N 1 2 329.448 3.528 50 0 EHAALO Cc1nnc(C2CC[NH+](Cc3cc(C4CCCCC4)no3)CC2)[nH]1 ZINC000670470250 564164636 /nfs/dbraw/zinc/16/46/36/564164636.db2.gz JLSLBFBXYTUNCH-UHFFFAOYSA-N 1 2 329.448 3.528 50 0 EHAALO Cc1nc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cs1 ZINC000067504663 564166061 /nfs/dbraw/zinc/16/60/61/564166061.db2.gz AXLUWBKBCFBRFX-LLVKDONJSA-N 1 2 330.432 3.936 50 0 EHAALO COc1ccc(-c2nc(C(=O)Nc3cc[nH+]c(C)c3)cs2)cc1 ZINC000008704749 564166442 /nfs/dbraw/zinc/16/64/42/564166442.db2.gz VMLVMZOHELOGLG-UHFFFAOYSA-N 1 2 325.393 3.774 50 0 EHAALO CCCCn1nc(C)c(C[NH2+]Cc2cn3ccsc3n2)c1Cl ZINC000069062162 564168299 /nfs/dbraw/zinc/16/82/99/564168299.db2.gz LZQPVVHQOOTKNG-UHFFFAOYSA-N 1 2 337.880 3.644 50 0 EHAALO Cc1cc2oc(=O)cc(C[N@@H+]3CCOCC3(C)C)c2cc1C(C)C ZINC000040158285 564168440 /nfs/dbraw/zinc/16/84/40/564168440.db2.gz PEDYUQITPIMJMB-UHFFFAOYSA-N 1 2 329.440 3.836 50 0 EHAALO Cc1cc2oc(=O)cc(C[N@H+]3CCOCC3(C)C)c2cc1C(C)C ZINC000040158285 564168441 /nfs/dbraw/zinc/16/84/41/564168441.db2.gz PEDYUQITPIMJMB-UHFFFAOYSA-N 1 2 329.440 3.836 50 0 EHAALO Cc1cc(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)c2cccnc2c1C ZINC000173117489 564168774 /nfs/dbraw/zinc/16/87/74/564168774.db2.gz HBTPRNNLUDEWFQ-UHFFFAOYSA-N 1 2 343.390 3.685 50 0 EHAALO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000245338641 564169086 /nfs/dbraw/zinc/16/90/86/564169086.db2.gz NLPVEAYVZLXVGJ-OAGGEKHMSA-N 1 2 329.831 3.920 50 0 EHAALO CCC[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000040501128 564170136 /nfs/dbraw/zinc/17/01/36/564170136.db2.gz JNMNAKJKOBEOAV-SFHVURJKSA-N 1 2 349.438 3.608 50 0 EHAALO O=c1c2cc(Cl)ccc2[nH]c2c1C[N@H+](Cc1ccccc1F)CC2 ZINC000033129302 564177466 /nfs/dbraw/zinc/17/74/66/564177466.db2.gz VUGOGPPDOJPCGF-UHFFFAOYSA-N 1 2 342.801 3.879 50 0 EHAALO O=c1c2cc(Cl)ccc2[nH]c2c1C[N@@H+](Cc1ccccc1F)CC2 ZINC000033129302 564177467 /nfs/dbraw/zinc/17/74/67/564177467.db2.gz VUGOGPPDOJPCGF-UHFFFAOYSA-N 1 2 342.801 3.879 50 0 EHAALO Cc1nc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)co1 ZINC000289351936 1018299028 /nfs/dbraw/zinc/29/90/28/1018299028.db2.gz HPUFLRONLDXXAG-OAHLLOKOSA-N 1 2 328.347 3.509 50 0 EHAALO Cc1nc(-c2noc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)co1 ZINC000289351936 1018299038 /nfs/dbraw/zinc/29/90/38/1018299038.db2.gz HPUFLRONLDXXAG-OAHLLOKOSA-N 1 2 328.347 3.509 50 0 EHAALO Cc1noc(C[N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000329833491 1040774433 /nfs/dbraw/zinc/77/44/33/1040774433.db2.gz KSMABAMDXHYPOF-GFCCVEGCSA-N 1 2 342.226 3.728 50 0 EHAALO Cc1noc(C[N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000329833491 1040774440 /nfs/dbraw/zinc/77/44/40/1040774440.db2.gz KSMABAMDXHYPOF-GFCCVEGCSA-N 1 2 342.226 3.728 50 0 EHAALO Cc1ccncc1CCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000368039028 1127512484 /nfs/dbraw/zinc/51/24/84/1127512484.db2.gz DWYJEFYNLUOPPB-LJQANCHMSA-N 1 2 332.394 3.674 50 0 EHAALO Cc1ccncc1CCC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000368039028 1127512486 /nfs/dbraw/zinc/51/24/86/1127512486.db2.gz DWYJEFYNLUOPPB-LJQANCHMSA-N 1 2 332.394 3.674 50 0 EHAALO c1csc(C[N@H+](Cc2csc(-c3ncccn3)n2)C2CC2)c1 ZINC000051421403 214093713 /nfs/dbraw/zinc/09/37/13/214093713.db2.gz FAFQQOZJFZGNEI-UHFFFAOYSA-N 1 2 328.466 3.826 50 0 EHAALO c1csc(C[N@@H+](Cc2csc(-c3ncccn3)n2)C2CC2)c1 ZINC000051421403 214093717 /nfs/dbraw/zinc/09/37/17/214093717.db2.gz FAFQQOZJFZGNEI-UHFFFAOYSA-N 1 2 328.466 3.826 50 0 EHAALO CC(C)(C)c1nc(C[NH2+]Cc2cccc(N3CCCC3=O)c2)cs1 ZINC000053018945 214159405 /nfs/dbraw/zinc/15/94/05/214159405.db2.gz ZOWZPDCGWBTZFL-UHFFFAOYSA-N 1 2 343.496 3.857 50 0 EHAALO O=C(CN1c2ccccc2N2CC[NH+]=C12)c1ccc(Cl)c(Cl)c1 ZINC000100546254 219101432 /nfs/dbraw/zinc/10/14/32/219101432.db2.gz TWVBJEWTBDEVNZ-UHFFFAOYSA-N 1 2 346.217 3.872 50 0 EHAALO Cc1ccc(C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000067206318 215124017 /nfs/dbraw/zinc/12/40/17/215124017.db2.gz UDIMHKVJNCVKSE-UHFFFAOYSA-N 1 2 342.870 3.962 50 0 EHAALO Cc1cc(C(F)(F)F)cc(N2Cc3cnc(CC(C)C)nc3C2)[nH+]1 ZINC000067842961 215227788 /nfs/dbraw/zinc/22/77/88/215227788.db2.gz UGYHNHRYIOXRQN-UHFFFAOYSA-N 1 2 336.361 3.918 50 0 EHAALO CC(C)c1noc([C@@H]2CCC[N@@H+]2Cc2ccc3cccc(O)c3n2)n1 ZINC000067851666 215231181 /nfs/dbraw/zinc/23/11/81/215231181.db2.gz HAINNROPPNQJNG-HNNXBMFYSA-N 1 2 338.411 3.784 50 0 EHAALO CC(C)c1noc([C@@H]2CCC[N@H+]2Cc2ccc3cccc(O)c3n2)n1 ZINC000067851666 215231184 /nfs/dbraw/zinc/23/11/84/215231184.db2.gz HAINNROPPNQJNG-HNNXBMFYSA-N 1 2 338.411 3.784 50 0 EHAALO COc1cc(-c2[nH+]ccn2Cc2ccccc2Cl)cc(OC)c1O ZINC000067947411 215255654 /nfs/dbraw/zinc/25/56/54/215255654.db2.gz DKDHYBLGNJFXLC-UHFFFAOYSA-N 1 2 344.798 3.975 50 0 EHAALO Cc1nc(C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)oc1C ZINC000068831120 215338656 /nfs/dbraw/zinc/33/86/56/215338656.db2.gz YMNDUVHQQHGTAF-UHFFFAOYSA-N 1 2 343.254 3.983 50 0 EHAALO Cc1nc(C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)oc1C ZINC000068831120 215338661 /nfs/dbraw/zinc/33/86/61/215338661.db2.gz YMNDUVHQQHGTAF-UHFFFAOYSA-N 1 2 343.254 3.983 50 0 EHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)c(OC)c1 ZINC000040066914 213257050 /nfs/dbraw/zinc/25/70/50/213257050.db2.gz JPONMFPKVVAXOW-HNNXBMFYSA-N 1 2 345.443 3.721 50 0 EHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)c(OC)c1 ZINC000040066914 213257053 /nfs/dbraw/zinc/25/70/53/213257053.db2.gz JPONMFPKVVAXOW-HNNXBMFYSA-N 1 2 345.443 3.721 50 0 EHAALO Cc1cc(N[C@H]2CC(=O)N(CC(C)(C)C)C2)nc(-c2ccccc2)[nH+]1 ZINC000072133540 216022553 /nfs/dbraw/zinc/02/25/53/216022553.db2.gz KCNOEPIXHVOCEX-INIZCTEOSA-N 1 2 338.455 3.511 50 0 EHAALO CCc1c(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)[nH]c(C)c1C(C)=O ZINC000072272035 216096131 /nfs/dbraw/zinc/09/61/31/216096131.db2.gz IPAPNILNWOKHLO-UHFFFAOYSA-N 1 2 336.395 3.731 50 0 EHAALO CC(=O)c1cccc(-c2[nH+]ccn2-c2ccc(N3CCCC3=O)cc2)c1 ZINC000072427396 216217672 /nfs/dbraw/zinc/21/76/72/216217672.db2.gz HFKZNVPLVVOOHY-UHFFFAOYSA-N 1 2 345.402 3.869 50 0 EHAALO Fc1ccc(C[N@@H+]2CCc3nc(Nc4ccccc4)ncc3C2)cc1 ZINC000021639895 212235703 /nfs/dbraw/zinc/23/57/03/212235703.db2.gz WFTFHLJABSUNTF-UHFFFAOYSA-N 1 2 334.398 3.918 50 0 EHAALO Fc1ccc(C[N@H+]2CCc3nc(Nc4ccccc4)ncc3C2)cc1 ZINC000021639895 212235706 /nfs/dbraw/zinc/23/57/06/212235706.db2.gz WFTFHLJABSUNTF-UHFFFAOYSA-N 1 2 334.398 3.918 50 0 EHAALO Cc1cc2[nH+]cn(C[C@H](O)COCc3ccccc3Cl)c2cc1C ZINC000021559650 212231626 /nfs/dbraw/zinc/23/16/26/212231626.db2.gz XCBIVSFEBFZHAS-INIZCTEOSA-N 1 2 344.842 3.884 50 0 EHAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000021275346 212218055 /nfs/dbraw/zinc/21/80/55/212218055.db2.gz XZGXWEHNYMBCCO-MRXNPFEDSA-N 1 2 330.815 3.576 50 0 EHAALO CCCc1noc(C[NH+]2CCC(Oc3cccc(Cl)c3)CC2)n1 ZINC000012592531 211417474 /nfs/dbraw/zinc/41/74/74/211417474.db2.gz FHGCCZPRIQKOAE-UHFFFAOYSA-N 1 2 335.835 3.719 50 0 EHAALO CCn1ccnc1C[NH2+][C@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000012434128 211380615 /nfs/dbraw/zinc/38/06/15/211380615.db2.gz ICMUAWKBLMDMRK-KRWDZBQOSA-N 1 2 333.439 3.527 50 0 EHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2ccccc2N(C)C)CC1 ZINC000091487037 218012981 /nfs/dbraw/zinc/01/29/81/218012981.db2.gz VCHLTHPKDSGTMJ-UHFFFAOYSA-N 1 2 340.471 3.550 50 0 EHAALO Cc1nc(C(C)C)sc1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000091691673 218047592 /nfs/dbraw/zinc/04/75/92/218047592.db2.gz IZKBEAFPAVXQLQ-UHFFFAOYSA-N 1 2 344.484 3.687 50 0 EHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)NCCc2ccccc2)CC1 ZINC000091738478 218056304 /nfs/dbraw/zinc/05/63/04/218056304.db2.gz DRJFCFJJHSMLPP-UHFFFAOYSA-N 1 2 340.471 3.596 50 0 EHAALO O=C(C[N@@H+]1CCc2sccc2C1)Nc1ccccc1C(F)(F)F ZINC000010341105 211167497 /nfs/dbraw/zinc/16/74/97/211167497.db2.gz HWEHJMCMMKWULT-UHFFFAOYSA-N 1 2 340.370 3.764 50 0 EHAALO O=C(C[N@H+]1CCc2sccc2C1)Nc1ccccc1C(F)(F)F ZINC000010341105 211167500 /nfs/dbraw/zinc/16/75/00/211167500.db2.gz HWEHJMCMMKWULT-UHFFFAOYSA-N 1 2 340.370 3.764 50 0 EHAALO CC[C@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccc(C)cc1 ZINC000010093658 211147255 /nfs/dbraw/zinc/14/72/55/211147255.db2.gz FHOAJLACEGBOOI-KRWDZBQOSA-N 1 2 328.481 3.682 50 0 EHAALO CC[C@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccc(C)cc1 ZINC000010093658 211147257 /nfs/dbraw/zinc/14/72/57/211147257.db2.gz FHOAJLACEGBOOI-KRWDZBQOSA-N 1 2 328.481 3.682 50 0 EHAALO O=c1cc2c(nn1C[NH+]1CCC(CC3CCCCC3)CC1)CCCC2 ZINC000094993217 218271985 /nfs/dbraw/zinc/27/19/85/218271985.db2.gz YVAFYZCAIPPLOZ-UHFFFAOYSA-N 1 2 343.515 3.762 50 0 EHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000095378522 218310888 /nfs/dbraw/zinc/31/08/88/218310888.db2.gz JXESTHDNQCVRDZ-SFHVURJKSA-N 1 2 340.471 3.772 50 0 EHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cn2nc3ccccn3c2=S)cc1 ZINC000008748761 210998628 /nfs/dbraw/zinc/99/86/28/210998628.db2.gz VUAJKLPVNROOCW-INIZCTEOSA-N 1 2 340.452 3.668 50 0 EHAALO COc1ccc([C@@H]2CCC[N@H+]2Cn2nc3ccccn3c2=S)cc1 ZINC000008748761 210998631 /nfs/dbraw/zinc/99/86/31/210998631.db2.gz VUAJKLPVNROOCW-INIZCTEOSA-N 1 2 340.452 3.668 50 0 EHAALO Cc1nc2c(c(NCc3[nH+]ccn3C(C)C)n1)Cc1ccccc1OC2 ZINC000095530203 218432377 /nfs/dbraw/zinc/43/23/77/218432377.db2.gz JLMZHPRNOYBFCX-UHFFFAOYSA-N 1 2 349.438 3.658 50 0 EHAALO COc1cccc(/C=C/C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000005902030 210556102 /nfs/dbraw/zinc/55/61/02/210556102.db2.gz NPDWRDNGNKODGD-HKUPYCBJSA-N 1 2 347.418 3.772 50 0 EHAALO COc1cccc(Cl)c1C[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000328589572 258044814 /nfs/dbraw/zinc/04/48/14/258044814.db2.gz VIPZARYZERNSLO-AOMKIAJQSA-N 1 2 337.872 3.558 50 0 EHAALO COc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)c2ccccn2)nn1 ZINC000330031905 258003209 /nfs/dbraw/zinc/00/32/09/258003209.db2.gz FSEMZKMYKKUCQD-MRXNPFEDSA-N 1 2 334.423 3.644 50 0 EHAALO COc1ccc(C[N@@H+](Cc2ccccc2)[C@H](C)c2ccccn2)nn1 ZINC000330031905 258003210 /nfs/dbraw/zinc/00/32/10/258003210.db2.gz FSEMZKMYKKUCQD-MRXNPFEDSA-N 1 2 334.423 3.644 50 0 EHAALO C[C@@H]1CCN(C(=O)Nc2nc(C3CCC3)cs2)C[C@H]1n1cc[nH+]c1 ZINC000283105979 258012938 /nfs/dbraw/zinc/01/29/38/258012938.db2.gz WXTWLVROSPRQKH-IUODEOHRSA-N 1 2 345.472 3.722 50 0 EHAALO COc1ccccc1[C@@H]1C[N@H+](Cc2cc[nH]n2)Cc2ccccc2O1 ZINC000299787810 258094540 /nfs/dbraw/zinc/09/45/40/258094540.db2.gz QSTZHMHWPSSVFV-FQEVSTJZSA-N 1 2 335.407 3.554 50 0 EHAALO COc1ccccc1[C@@H]1C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2O1 ZINC000299787810 258094542 /nfs/dbraw/zinc/09/45/42/258094542.db2.gz QSTZHMHWPSSVFV-FQEVSTJZSA-N 1 2 335.407 3.554 50 0 EHAALO Cc1cccc(C)c1NC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000299801515 258104619 /nfs/dbraw/zinc/10/46/19/258104619.db2.gz YZCPYWJPAAYNGY-UHFFFAOYSA-N 1 2 325.412 3.774 50 0 EHAALO Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1 ZINC000055537432 132195258 /nfs/dbraw/zinc/19/52/58/132195258.db2.gz GMLVXCKBVXZNQV-UHFFFAOYSA-N 1 2 336.266 3.898 50 0 EHAALO C[N@H+](CC(=O)Nc1nccs1)Cc1cc(Cl)cc(Cl)c1 ZINC000048579537 564031985 /nfs/dbraw/zinc/03/19/85/564031985.db2.gz DEGSNILGVUUZLF-UHFFFAOYSA-N 1 2 330.240 3.520 50 0 EHAALO C[N@@H+](CC(=O)Nc1nccs1)Cc1cc(Cl)cc(Cl)c1 ZINC000048579537 564031986 /nfs/dbraw/zinc/03/19/86/564031986.db2.gz DEGSNILGVUUZLF-UHFFFAOYSA-N 1 2 330.240 3.520 50 0 EHAALO Cc1cc2[nH+]cn(C[C@H](O)COc3cccc(Cl)c3)c2cc1C ZINC000000181002 563254082 /nfs/dbraw/zinc/25/40/82/563254082.db2.gz KRQUDZKPAUWLMS-HNNXBMFYSA-N 1 2 330.815 3.746 50 0 EHAALO O=C(Nc1cccc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000000235727 563263734 /nfs/dbraw/zinc/26/37/34/563263734.db2.gz HJTHKNYPHPFOAW-UHFFFAOYSA-N 1 2 332.407 3.589 50 0 EHAALO CCCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@@H](C)CC)CC1 ZINC000034906587 563481268 /nfs/dbraw/zinc/48/12/68/563481268.db2.gz MISQOZDEUHNNKP-HNNXBMFYSA-N 1 2 342.487 3.577 50 0 EHAALO CCc1ccc(C[N@H+](C)Cc2nc(Cc3cccc(F)c3)no2)cc1 ZINC000014959659 563768636 /nfs/dbraw/zinc/76/86/36/563768636.db2.gz FOXSYIQCANFADN-UHFFFAOYSA-N 1 2 339.414 3.994 50 0 EHAALO CCc1ccc(C[N@@H+](C)Cc2nc(Cc3cccc(F)c3)no2)cc1 ZINC000014959659 563768640 /nfs/dbraw/zinc/76/86/40/563768640.db2.gz FOXSYIQCANFADN-UHFFFAOYSA-N 1 2 339.414 3.994 50 0 EHAALO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000071953640 563855185 /nfs/dbraw/zinc/85/51/85/563855185.db2.gz WBBWITQGPMRCEW-OAHLLOKOSA-N 1 2 346.421 3.925 50 0 EHAALO Cc1ccccc1CN(C)C(=O)C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000071953640 563855186 /nfs/dbraw/zinc/85/51/86/563855186.db2.gz WBBWITQGPMRCEW-OAHLLOKOSA-N 1 2 346.421 3.925 50 0 EHAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(C(C)(C)C)o2)c(OC)c1 ZINC000027224251 563895032 /nfs/dbraw/zinc/89/50/32/563895032.db2.gz FRCJBTDUDPLTRP-OAHLLOKOSA-N 1 2 345.443 3.721 50 0 EHAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(C(C)(C)C)o2)c(OC)c1 ZINC000027224251 563895034 /nfs/dbraw/zinc/89/50/34/563895034.db2.gz FRCJBTDUDPLTRP-OAHLLOKOSA-N 1 2 345.443 3.721 50 0 EHAALO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc(=O)c2sccc2[nH]1 ZINC000030005543 563909187 /nfs/dbraw/zinc/90/91/87/563909187.db2.gz XPBMANWMAUCSTO-LLVKDONJSA-N 1 2 339.420 3.924 50 0 EHAALO C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc(=O)c2sccc2[nH]1 ZINC000030005543 563909188 /nfs/dbraw/zinc/90/91/88/563909188.db2.gz XPBMANWMAUCSTO-LLVKDONJSA-N 1 2 339.420 3.924 50 0 EHAALO COc1cc(F)c([C@H](C)[NH2+]Cc2nc3ccccc3o2)cc1OC ZINC000096491791 563955657 /nfs/dbraw/zinc/95/56/57/563955657.db2.gz QZLDPVWNXJUCHU-NSHDSACASA-N 1 2 330.359 3.835 50 0 EHAALO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(C(C)C)o3)ccc2NC1=O ZINC000096492088 563955691 /nfs/dbraw/zinc/95/56/91/563955691.db2.gz PNELWFZHFHORQH-SWLSCSKDSA-N 1 2 343.427 3.758 50 0 EHAALO CSCCc1c(-c2ccccc2)[nH+]cn1CCNc1cccnc1 ZINC000065375097 563958762 /nfs/dbraw/zinc/95/87/62/563958762.db2.gz UFOHOBWCYJMDFT-UHFFFAOYSA-N 1 2 338.480 3.963 50 0 EHAALO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1c(Cl)nc2sccn12 ZINC000071614294 563964663 /nfs/dbraw/zinc/96/46/63/563964663.db2.gz XCQNJYZIWYUCDW-LLVKDONJSA-N 1 2 336.848 3.991 50 0 EHAALO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1c(Cl)nc2sccn12 ZINC000071614294 563964664 /nfs/dbraw/zinc/96/46/64/563964664.db2.gz XCQNJYZIWYUCDW-LLVKDONJSA-N 1 2 336.848 3.991 50 0 EHAALO O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(c2ccc(Cl)cc2)CCC1 ZINC000075552349 563967348 /nfs/dbraw/zinc/96/73/48/563967348.db2.gz PSSYIMDACIOLIT-AWEZNQCLSA-N 1 2 343.858 3.891 50 0 EHAALO CC(C)c1noc([C@H]2CCC[N@@H+]2Cc2ccc3nsnc3c2)n1 ZINC000077504925 563970000 /nfs/dbraw/zinc/97/00/00/563970000.db2.gz LLRDEPQTEQSVSZ-CQSZACIVSA-N 1 2 329.429 3.535 50 0 EHAALO CC(C)c1noc([C@H]2CCC[N@H+]2Cc2ccc3nsnc3c2)n1 ZINC000077504925 563970001 /nfs/dbraw/zinc/97/00/01/563970001.db2.gz LLRDEPQTEQSVSZ-CQSZACIVSA-N 1 2 329.429 3.535 50 0 EHAALO CCNc1ccc(Cl)cc1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000097048573 563971674 /nfs/dbraw/zinc/97/16/74/563971674.db2.gz JTHRNRNEGVPKJC-UHFFFAOYSA-N 1 2 341.802 3.605 50 0 EHAALO CC(C)Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000082100132 563972255 /nfs/dbraw/zinc/97/22/55/563972255.db2.gz LQDJRYGGXGSKCR-GOSISDBHSA-N 1 2 325.456 3.638 50 0 EHAALO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2)C1 ZINC000082126205 563972536 /nfs/dbraw/zinc/97/25/36/563972536.db2.gz PKOARSCJDCJFSP-ZDUSSCGKSA-N 1 2 349.887 3.572 50 0 EHAALO Cn1cc[nH+]c1C1CCN(C(=O)CCCc2ccc(Cl)cc2)CC1 ZINC000091547650 563975482 /nfs/dbraw/zinc/97/54/82/563975482.db2.gz HYYKYGMCPDEHFY-UHFFFAOYSA-N 1 2 345.874 3.802 50 0 EHAALO COc1ccc([C@H]2CCCN2C(=O)Nc2cc[nH+]c(C)c2)c(OC)c1 ZINC000119960858 563983873 /nfs/dbraw/zinc/98/38/73/563983873.db2.gz GNATVCOVONBIED-QGZVFWFLSA-N 1 2 341.411 3.776 50 0 EHAALO CSCC[C@@H](C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1)n1cccc1 ZINC000409413618 563994541 /nfs/dbraw/zinc/99/45/41/563994541.db2.gz JLMIOLUVFRCHHR-INIZCTEOSA-N 1 2 328.441 3.606 50 0 EHAALO C[N@@H+]1CCc2nc(NC(=O)c3cc4c(s3)CCCCC4)sc2C1 ZINC000024152461 563996211 /nfs/dbraw/zinc/99/62/11/563996211.db2.gz SQQJCGCATHNIFO-UHFFFAOYSA-N 1 2 347.509 3.714 50 0 EHAALO C[N@H+]1CCc2nc(NC(=O)c3cc4c(s3)CCCCC4)sc2C1 ZINC000024152461 563996212 /nfs/dbraw/zinc/99/62/12/563996212.db2.gz SQQJCGCATHNIFO-UHFFFAOYSA-N 1 2 347.509 3.714 50 0 EHAALO Cc1nc(NCc2ccc(Cl)c(Cl)c2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426552371 563996323 /nfs/dbraw/zinc/99/63/23/563996323.db2.gz SFTFGHARTRHZIB-GFCCVEGCSA-N 1 2 338.238 3.630 50 0 EHAALO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1C[C@H]2CCC[C@@H]2C1 ZINC000270376640 563999099 /nfs/dbraw/zinc/99/90/99/563999099.db2.gz VBZFRPYGJVMKLG-HZPDHXFCSA-N 1 2 348.450 3.866 50 0 EHAALO CCO[C@@H](C)c1nc(C[N@H+](C)Cc2cccc(N(C)C)c2)cs1 ZINC000075888215 564000590 /nfs/dbraw/zinc/00/05/90/564000590.db2.gz GDMJLCAPPQCHRA-AWEZNQCLSA-N 1 2 333.501 3.939 50 0 EHAALO CCO[C@@H](C)c1nc(C[N@@H+](C)Cc2cccc(N(C)C)c2)cs1 ZINC000075888215 564000591 /nfs/dbraw/zinc/00/05/91/564000591.db2.gz GDMJLCAPPQCHRA-AWEZNQCLSA-N 1 2 333.501 3.939 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCC(=O)Nc1ccccc1N1CCCC1 ZINC000005210293 564000645 /nfs/dbraw/zinc/00/06/45/564000645.db2.gz IGONZMDQBWULKH-UHFFFAOYSA-N 1 2 348.450 3.974 50 0 EHAALO C[C@@H](CCc1ccccc1)NC(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000005261928 564001627 /nfs/dbraw/zinc/00/16/27/564001627.db2.gz UXIKEJWUOWUPNY-INIZCTEOSA-N 1 2 344.886 3.909 50 0 EHAALO C[C@@H](CCc1ccccc1)NC(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000005261928 564001628 /nfs/dbraw/zinc/00/16/28/564001628.db2.gz UXIKEJWUOWUPNY-INIZCTEOSA-N 1 2 344.886 3.909 50 0 EHAALO Cc1nc(CC(C)C)c(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000180538379 564013402 /nfs/dbraw/zinc/01/34/02/564013402.db2.gz AGSWMWMWDQEBAR-CQSZACIVSA-N 1 2 347.488 3.543 50 0 EHAALO COc1ccccc1[C@@H](NC(=O)c1ccc(C)c(C)c1)c1[nH+]ccn1C ZINC000048289132 564030523 /nfs/dbraw/zinc/03/05/23/564030523.db2.gz MOFAYDXDUYNDAF-LJQANCHMSA-N 1 2 349.434 3.565 50 0 EHAALO COc1cccc([C@@H](NC(=O)c2ccc(C)c(C)c2)c2[nH+]ccn2C)c1 ZINC000048324111 564030915 /nfs/dbraw/zinc/03/09/15/564030915.db2.gz BYNOWDYWQGZBOJ-LJQANCHMSA-N 1 2 349.434 3.565 50 0 EHAALO O=C(NCc1cn2ccccc2[nH+]1)c1cc2c(s1)CCCCC2 ZINC000008053456 564034684 /nfs/dbraw/zinc/03/46/84/564034684.db2.gz IWXADOIPKINISN-UHFFFAOYSA-N 1 2 325.437 3.595 50 0 EHAALO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000008118050 564034824 /nfs/dbraw/zinc/03/48/24/564034824.db2.gz ZMCQDVAZWZRWPO-KRWDZBQOSA-N 1 2 339.826 3.901 50 0 EHAALO Cc1ccc[nH+]c1[C@H]1CCC[C@H](Nc2ccc(CNC(N)=O)cc2)C1 ZINC000239667138 564051646 /nfs/dbraw/zinc/05/16/46/564051646.db2.gz BPBBGKWHCAOIHX-WMZOPIPTSA-N 1 2 338.455 3.697 50 0 EHAALO Cc1ccc[nH+]c1[C@H]1CCC[C@@H](Nc2ccc(CNC(N)=O)cc2)C1 ZINC000239667136 564051665 /nfs/dbraw/zinc/05/16/65/564051665.db2.gz BPBBGKWHCAOIHX-FUHWJXTLSA-N 1 2 338.455 3.697 50 0 EHAALO Cc1nc(C[N@@H+]2CCCN(c3nc4ccccc4s3)CC2)cs1 ZINC000252490011 564053468 /nfs/dbraw/zinc/05/34/68/564053468.db2.gz KHEYHXITVNRRRH-UHFFFAOYSA-N 1 2 344.509 3.774 50 0 EHAALO Cc1nc(C[N@H+]2CCCN(c3nc4ccccc4s3)CC2)cs1 ZINC000252490011 564053469 /nfs/dbraw/zinc/05/34/69/564053469.db2.gz KHEYHXITVNRRRH-UHFFFAOYSA-N 1 2 344.509 3.774 50 0 EHAALO COc1ccc([C@H](NC(=O)CCC2CCCC2)c2[nH+]ccn2C)cc1 ZINC000012541261 564058697 /nfs/dbraw/zinc/05/86/97/564058697.db2.gz AOWQJNFXDZSCJO-IBGZPJMESA-N 1 2 341.455 3.605 50 0 EHAALO c1nn(-c2ccccc2)c2nc[nH+]c(SCCc3ccncc3)c12 ZINC000012548942 564059018 /nfs/dbraw/zinc/05/90/18/564059018.db2.gz ZGLGDNUZKCDFLI-UHFFFAOYSA-N 1 2 333.420 3.545 50 0 EHAALO Cc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1 ZINC000012559588 564059442 /nfs/dbraw/zinc/05/94/42/564059442.db2.gz JQXQWVMWVORTEA-KRWDZBQOSA-N 1 2 338.386 3.779 50 0 EHAALO Cc1sc2nc(C[N@H+](C)Cc3cccc(F)c3)nc(N)c2c1C ZINC000012563499 564059652 /nfs/dbraw/zinc/05/96/52/564059652.db2.gz KRCPRFWLIHNRAQ-UHFFFAOYSA-N 1 2 330.432 3.661 50 0 EHAALO Cc1sc2nc(C[N@@H+](C)Cc3cccc(F)c3)nc(N)c2c1C ZINC000012563499 564059653 /nfs/dbraw/zinc/05/96/53/564059653.db2.gz KRCPRFWLIHNRAQ-UHFFFAOYSA-N 1 2 330.432 3.661 50 0 EHAALO O=C(NCCCn1cc[nH+]c1-c1ccccc1)Nc1ccccc1F ZINC000085555136 564073903 /nfs/dbraw/zinc/07/39/03/564073903.db2.gz KUVNDRAYMLQKGB-UHFFFAOYSA-N 1 2 338.386 3.901 50 0 EHAALO Cc1cccc2[nH+]c(CNC(=O)N([C@H](C)c3ccco3)C3CC3)cn21 ZINC000086395983 564075630 /nfs/dbraw/zinc/07/56/30/564075630.db2.gz OSRCNXGOZYBNTH-CQSZACIVSA-N 1 2 338.411 3.671 50 0 EHAALO C[C@@H]1CCCC[N@H+]1Cc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000241564234 564088355 /nfs/dbraw/zinc/08/83/55/564088355.db2.gz OSNBDBFUZXGDLE-NWDGAFQWSA-N 1 2 331.485 3.896 50 0 EHAALO C[C@@H]1CCCC[N@@H+]1Cc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000241564234 564088356 /nfs/dbraw/zinc/08/83/56/564088356.db2.gz OSNBDBFUZXGDLE-NWDGAFQWSA-N 1 2 331.485 3.896 50 0 EHAALO CCn1cc[nH+]c1CNc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000089310030 564089621 /nfs/dbraw/zinc/08/96/21/564089621.db2.gz HGDCQNLFOVTROA-XMMPIXPASA-N 1 2 339.464 3.823 50 0 EHAALO CC(C)N(C(=O)c1ccccc1-c1ccc(-n2cc[nH+]c2)nn1)C(C)C ZINC000426584835 564094202 /nfs/dbraw/zinc/09/42/02/564094202.db2.gz QSTCDORURBXUMJ-UHFFFAOYSA-N 1 2 349.438 3.588 50 0 EHAALO Cc1[nH+]cccc1-n1cccc1C(=O)NCc1ccc(Cl)cc1 ZINC000064658858 564094746 /nfs/dbraw/zinc/09/47/46/564094746.db2.gz SGVUUXXJBLPCMX-UHFFFAOYSA-N 1 2 325.799 3.764 50 0 EHAALO CC[C@H](CC(=O)NCc1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000006651045 564095426 /nfs/dbraw/zinc/09/54/26/564095426.db2.gz CKZILWLFGGAQEM-CYBMUJFWSA-N 1 2 326.227 3.848 50 0 EHAALO CC(C)N(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)C(=O)C1CC1 ZINC000006689209 564095854 /nfs/dbraw/zinc/09/58/54/564095854.db2.gz GNEXTQSALMGPPD-UHFFFAOYSA-N 1 2 349.837 3.871 50 0 EHAALO Cc1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000006864781 564100039 /nfs/dbraw/zinc/10/00/39/564100039.db2.gz ZTZDYDOKLVYHKA-SIHNGCNOSA-N 1 2 344.499 3.741 50 0 EHAALO Cc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000006864781 564100040 /nfs/dbraw/zinc/10/00/40/564100040.db2.gz ZTZDYDOKLVYHKA-SIHNGCNOSA-N 1 2 344.499 3.741 50 0 EHAALO O=C(Nc1ccc(F)cc1)N1CCC(CCOc2cc[nH+]cc2)CC1 ZINC000065181097 564102352 /nfs/dbraw/zinc/10/23/52/564102352.db2.gz XSEWFYMAOUEGCK-UHFFFAOYSA-N 1 2 343.402 3.934 50 0 EHAALO Cc1cccc(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000013325009 564111495 /nfs/dbraw/zinc/11/14/95/564111495.db2.gz PDOMSLMJJNMVFP-UHFFFAOYSA-N 1 2 339.439 3.780 50 0 EHAALO Cc1cc(C[N@@H+](C)Cc2cc(Br)cc3cccnc32)no1 ZINC000089604753 564112679 /nfs/dbraw/zinc/11/26/79/564112679.db2.gz ZMSHEDDXBDMTGD-UHFFFAOYSA-N 1 2 346.228 3.926 50 0 EHAALO Cc1cc(C[N@H+](C)Cc2cc(Br)cc3cccnc32)no1 ZINC000089604753 564112680 /nfs/dbraw/zinc/11/26/80/564112680.db2.gz ZMSHEDDXBDMTGD-UHFFFAOYSA-N 1 2 346.228 3.926 50 0 EHAALO Cc1occc1C(=O)NC1CCN(c2[nH+]c3ccccc3cc2C)CC1 ZINC000089610735 564112698 /nfs/dbraw/zinc/11/26/98/564112698.db2.gz GXBQBVPYFQZWII-UHFFFAOYSA-N 1 2 349.434 3.843 50 0 EHAALO Cc1scc(C(=O)NCCCn2cc[nH+]c2)c1-c1ccccc1 ZINC000002872790 564117053 /nfs/dbraw/zinc/11/70/53/564117053.db2.gz NMPVMZFJJRWWQR-UHFFFAOYSA-N 1 2 325.437 3.740 50 0 EHAALO Cc1ccc2[nH+]c(CNc3cccc(N4CCOC4=O)c3C)cn2c1 ZINC000170656974 564120930 /nfs/dbraw/zinc/12/09/30/564120930.db2.gz XHQIMLKARMRZNQ-UHFFFAOYSA-N 1 2 336.395 3.520 50 0 EHAALO Brc1cccc(-c2[nH]c3cc4c(cc3[nH+]2)OCCO4)c1 ZINC000037400500 564121337 /nfs/dbraw/zinc/12/13/37/564121337.db2.gz XVLSJASSFFANOF-UHFFFAOYSA-N 1 2 331.169 3.764 50 0 EHAALO O=C(Nc1ccccc1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000096004464 564144507 /nfs/dbraw/zinc/14/45/07/564144507.db2.gz FEEPOSFFTHLKNG-UHFFFAOYSA-N 1 2 346.434 3.716 50 0 EHAALO CCN(Cc1c[nH+]c2ccccn12)C(=O)c1cc2cccc(OC)c2o1 ZINC000096025060 564144913 /nfs/dbraw/zinc/14/49/13/564144913.db2.gz ZDWKOCBJLVONIJ-UHFFFAOYSA-N 1 2 349.390 3.751 50 0 EHAALO Cc1cc(C)n(CCC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)n1 ZINC000096405644 564147306 /nfs/dbraw/zinc/14/73/06/564147306.db2.gz XGUWLGDYZODZPG-UHFFFAOYSA-N 1 2 336.395 3.716 50 0 EHAALO Cc1cccn2cc(C[S@](=O)[C@H](C)c3c(F)cccc3F)[nH+]c12 ZINC000096459966 564148329 /nfs/dbraw/zinc/14/83/29/564148329.db2.gz RMHYXFSXCXBEBT-SFDCACGMSA-N 1 2 334.391 3.931 50 0 EHAALO O=C(N[C@H]1CCc2[nH+]ccn2C1)c1sc2sccc2c1Cl ZINC000097197457 564149520 /nfs/dbraw/zinc/14/95/20/564149520.db2.gz FFJURIGEQPOIKA-QMMMGPOBSA-N 1 2 337.857 3.558 50 0 EHAALO c1ccc(C([NH2+]Cc2nnnn2-c2ccccc2)c2ccccc2)cc1 ZINC000057292099 564153491 /nfs/dbraw/zinc/15/34/91/564153491.db2.gz JRKCWKGFKVVQGQ-UHFFFAOYSA-N 1 2 341.418 3.542 50 0 EHAALO C[C@H](NC(=O)CCc1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008013587 564162134 /nfs/dbraw/zinc/16/21/34/564162134.db2.gz PXCOGWPPVCRMKI-AWEZNQCLSA-N 1 2 325.437 3.744 50 0 EHAALO C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008226205 564163702 /nfs/dbraw/zinc/16/37/02/564163702.db2.gz XRTIYSFGFXZDOA-GFCCVEGCSA-N 1 2 334.872 3.811 50 0 EHAALO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008226205 564163703 /nfs/dbraw/zinc/16/37/03/564163703.db2.gz XRTIYSFGFXZDOA-GFCCVEGCSA-N 1 2 334.872 3.811 50 0 EHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2csc(C(C)C)n2)c1C ZINC000069487126 564169856 /nfs/dbraw/zinc/16/98/56/564169856.db2.gz BALVOWQSBGMHGA-UHFFFAOYSA-N 1 2 333.457 3.559 50 0 EHAALO FC(F)(F)c1cccc(CSc2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000070688617 564174301 /nfs/dbraw/zinc/17/43/01/564174301.db2.gz VUPKVSQPDQHYEX-UHFFFAOYSA-N 1 2 336.342 3.973 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1C1CCN(C(=O)NC(C)C)CC1 ZINC000581808519 1035617324 /nfs/dbraw/zinc/61/73/24/1035617324.db2.gz AURHAFRTTTYYAI-UHFFFAOYSA-N 1 2 326.444 3.613 50 0 EHAALO Brc1ccc2[nH]c(NCc3cnc(C4CC4)o3)[nH+]c2c1 ZINC000952848657 1137482547 /nfs/dbraw/zinc/48/25/47/1137482547.db2.gz IKDCIWZMOJAZNW-UHFFFAOYSA-N 1 2 333.189 3.803 50 0 EHAALO Brc1ccc2[nH+]c(NCc3cnc(C4CC4)o3)[nH]c2c1 ZINC000952848657 1137482548 /nfs/dbraw/zinc/48/25/48/1137482548.db2.gz IKDCIWZMOJAZNW-UHFFFAOYSA-N 1 2 333.189 3.803 50 0 EHAALO COc1c(C)c[nH+]c(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1C ZINC000050448656 214056568 /nfs/dbraw/zinc/05/65/68/214056568.db2.gz XXFRUWSCMXSRHR-CABCVRRESA-N 1 2 344.842 3.780 50 0 EHAALO Fc1ccc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)cc1 ZINC000053536554 214187872 /nfs/dbraw/zinc/18/78/72/214187872.db2.gz FDAJDIGYJZNBRG-QGZVFWFLSA-N 1 2 339.414 3.883 50 0 EHAALO Fc1ccc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)cc1 ZINC000053536554 214187875 /nfs/dbraw/zinc/18/78/75/214187875.db2.gz FDAJDIGYJZNBRG-QGZVFWFLSA-N 1 2 339.414 3.883 50 0 EHAALO O=C(COC1CCCC1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000054672388 214250191 /nfs/dbraw/zinc/25/01/91/214250191.db2.gz VEGCXVDNIPEVMC-UHFFFAOYSA-N 1 2 339.439 3.784 50 0 EHAALO OCCOc1ccccc1C[N@@H+](Cc1ccsc1)Cc1ccco1 ZINC000055134082 214277235 /nfs/dbraw/zinc/27/72/35/214277235.db2.gz BZPFYRLCHWGOLL-UHFFFAOYSA-N 1 2 343.448 3.915 50 0 EHAALO OCCOc1ccccc1C[N@H+](Cc1ccsc1)Cc1ccco1 ZINC000055134082 214277238 /nfs/dbraw/zinc/27/72/38/214277238.db2.gz BZPFYRLCHWGOLL-UHFFFAOYSA-N 1 2 343.448 3.915 50 0 EHAALO CCCN(C/C=C/c1ccccc1)C(=O)c1csc(C[NH+](C)C)n1 ZINC000055307910 214303680 /nfs/dbraw/zinc/30/36/80/214303680.db2.gz XSBIJNVJZPIBFP-DHZHZOJOSA-N 1 2 343.496 3.770 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCOC(=O)/C=C/c1nc2ccccc2o1 ZINC000056220532 214365598 /nfs/dbraw/zinc/36/55/98/214365598.db2.gz FFJGLJYXDJUWKD-ZHACJKMWSA-N 1 2 347.374 3.743 50 0 EHAALO Cc1nc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)cs1 ZINC000046837575 213811010 /nfs/dbraw/zinc/81/10/10/213811010.db2.gz URBFERDZNBXVEE-SFHVURJKSA-N 1 2 338.480 3.864 50 0 EHAALO O=C(c1cc2sccc2[nH]1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000067920374 215249768 /nfs/dbraw/zinc/24/97/68/215249768.db2.gz SNQQCVJLHYVJKX-ZDUSSCGKSA-N 1 2 328.441 3.511 50 0 EHAALO O=C(NCc1cccs1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000040540050 213342853 /nfs/dbraw/zinc/34/28/53/213342853.db2.gz SRRYQGASCUBUIA-UHFFFAOYSA-N 1 2 344.484 3.523 50 0 EHAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(C(C)C)no2)c(OC)c1 ZINC000040489630 213318977 /nfs/dbraw/zinc/31/89/77/213318977.db2.gz GAJVNBFZXUXSOC-OAHLLOKOSA-N 1 2 331.416 3.547 50 0 EHAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(C(C)C)no2)c(OC)c1 ZINC000040489630 213318979 /nfs/dbraw/zinc/31/89/79/213318979.db2.gz GAJVNBFZXUXSOC-OAHLLOKOSA-N 1 2 331.416 3.547 50 0 EHAALO CSc1ccc([C@@H](CNC(C)=O)[N@@H+]2CCc3sccc3C2)cc1 ZINC000040108573 213267196 /nfs/dbraw/zinc/26/71/96/213267196.db2.gz FNKJSJOFORWXNV-QGZVFWFLSA-N 1 2 346.521 3.706 50 0 EHAALO CSc1ccc([C@@H](CNC(C)=O)[N@H+]2CCc3sccc3C2)cc1 ZINC000040108573 213267197 /nfs/dbraw/zinc/26/71/97/213267197.db2.gz FNKJSJOFORWXNV-QGZVFWFLSA-N 1 2 346.521 3.706 50 0 EHAALO Fc1ccccc1-c1ccc(C[NH2+]Cc2nnc3n2CCCCC3)o1 ZINC000039979616 213248115 /nfs/dbraw/zinc/24/81/15/213248115.db2.gz OJFNOOVGRYCCNP-UHFFFAOYSA-N 1 2 340.402 3.693 50 0 EHAALO Brc1ccc2nc(NCCCn3cc[nH+]c3)sc2c1 ZINC000036657641 213108553 /nfs/dbraw/zinc/10/85/53/213108553.db2.gz PWGGUSSXSLWVDX-UHFFFAOYSA-N 1 2 337.246 3.758 50 0 EHAALO Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000128970573 223007652 /nfs/dbraw/zinc/00/76/52/223007652.db2.gz CRGPZTNFPXCHBH-LJQANCHMSA-N 1 2 346.434 3.943 50 0 EHAALO Cn1cc[nH+]c1-c1cccc(NC(=O)N(Cc2ccncc2)C2CC2)c1 ZINC000072290945 216125286 /nfs/dbraw/zinc/12/52/86/216125286.db2.gz OHBDEKQWTNTGDP-UHFFFAOYSA-N 1 2 347.422 3.679 50 0 EHAALO CCc1cc(N[C@@H](CCn2cc[nH+]c2)c2ccccc2)n2nccc2n1 ZINC000072476001 216253948 /nfs/dbraw/zinc/25/39/48/216253948.db2.gz AMIRODLZRAPGRO-SFHVURJKSA-N 1 2 346.438 3.732 50 0 EHAALO Cc1ccc(-c2cc(C(=O)OCc3cn4cc(C)ccc4[nH+]3)n[nH]2)cc1 ZINC000023038597 212343368 /nfs/dbraw/zinc/34/33/68/212343368.db2.gz XECPLGVFXJTXBU-UHFFFAOYSA-N 1 2 346.390 3.698 50 0 EHAALO Clc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000022530579 212305773 /nfs/dbraw/zinc/30/57/73/212305773.db2.gz DHYDNXIVCRPSSD-UHFFFAOYSA-N 1 2 327.815 3.803 50 0 EHAALO O=C(c1ccc2cc[nH]c2c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020621919 212156899 /nfs/dbraw/zinc/15/68/99/212156899.db2.gz DWJVMQSUGZJAQW-QPJJXVBHSA-N 1 2 345.446 3.639 50 0 EHAALO Cc1ccc(-n2nnnc2[C@@H]2c3ccccc3CC(C)(C)[N@@H+]2C)c(C)c1 ZINC000020477982 212135816 /nfs/dbraw/zinc/13/58/16/212135816.db2.gz GAQDPSKIJILHQR-IBGZPJMESA-N 1 2 347.466 3.635 50 0 EHAALO Cc1ccc(-n2nnnc2[C@@H]2c3ccccc3CC(C)(C)[N@H+]2C)c(C)c1 ZINC000020477982 212135818 /nfs/dbraw/zinc/13/58/18/212135818.db2.gz GAQDPSKIJILHQR-IBGZPJMESA-N 1 2 347.466 3.635 50 0 EHAALO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000020357441 212122903 /nfs/dbraw/zinc/12/29/03/212122903.db2.gz ZEMSSKXINJLDCP-UHFFFAOYSA-N 1 2 328.843 3.606 50 0 EHAALO COc1ccccc1OCCn1c2ccccc2n(CC(C)C)c1=[NH2+] ZINC000019900343 212080866 /nfs/dbraw/zinc/08/08/66/212080866.db2.gz WCTJFUPQWBNXGR-UHFFFAOYSA-N 1 2 339.439 3.666 50 0 EHAALO Brc1cc2c(cc1C[N@@H+]1CCc3ccccc3C1)OCO2 ZINC000019874993 212078500 /nfs/dbraw/zinc/07/85/00/212078500.db2.gz JFIGFXACRXMEMM-UHFFFAOYSA-N 1 2 346.224 3.736 50 0 EHAALO Brc1cc2c(cc1C[N@H+]1CCc3ccccc3C1)OCO2 ZINC000019874993 212078503 /nfs/dbraw/zinc/07/85/03/212078503.db2.gz JFIGFXACRXMEMM-UHFFFAOYSA-N 1 2 346.224 3.736 50 0 EHAALO C([C@H]1COC2(CCCCCCCCCCC2)O1)[NH+]1CCOCC1 ZINC000019868007 212077794 /nfs/dbraw/zinc/07/77/94/212077794.db2.gz AXTKPHAKXVXLKW-SFHVURJKSA-N 1 2 325.493 3.735 50 0 EHAALO OCCNc1[nH+]c2ccccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000049874754 214035794 /nfs/dbraw/zinc/03/57/94/214035794.db2.gz WLHCXODBWHITLA-UHFFFAOYSA-N 1 2 335.329 3.508 50 0 EHAALO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000019114273 212000794 /nfs/dbraw/zinc/00/07/94/212000794.db2.gz PREAHGFGYBXXKN-CYBMUJFWSA-N 1 2 337.345 3.523 50 0 EHAALO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000019114273 212000798 /nfs/dbraw/zinc/00/07/98/212000798.db2.gz PREAHGFGYBXXKN-CYBMUJFWSA-N 1 2 337.345 3.523 50 0 EHAALO COc1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)c(Cl)c1Cl ZINC000078936133 217151939 /nfs/dbraw/zinc/15/19/39/217151939.db2.gz BHZIXIMVIMBZSZ-UHFFFAOYSA-N 1 2 347.223 3.506 50 0 EHAALO CCC[N@@H+](Cc1nc(Cc2ccccc2Cl)no1)C[C@H]1CCCO1 ZINC000012051686 211282617 /nfs/dbraw/zinc/28/26/17/211282617.db2.gz JFAYPLNKUJJVNL-OAHLLOKOSA-N 1 2 349.862 3.705 50 0 EHAALO CCC[N@H+](Cc1nc(Cc2ccccc2Cl)no1)C[C@H]1CCCO1 ZINC000012051686 211282622 /nfs/dbraw/zinc/28/26/22/211282622.db2.gz JFAYPLNKUJJVNL-OAHLLOKOSA-N 1 2 349.862 3.705 50 0 EHAALO c1[nH]cc(CCn2cc(-c3cccc4c5ccccc5oc43)nn2)[nH+]1 ZINC000091635953 218036698 /nfs/dbraw/zinc/03/66/98/218036698.db2.gz YJVOOOXURXQXFE-UHFFFAOYSA-N 1 2 329.363 3.810 50 0 EHAALO c1[nH]c(CCn2cc(-c3cccc4c5ccccc5oc43)nn2)c[nH+]1 ZINC000091635953 218036699 /nfs/dbraw/zinc/03/66/99/218036699.db2.gz YJVOOOXURXQXFE-UHFFFAOYSA-N 1 2 329.363 3.810 50 0 EHAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccoc1 ZINC000011767704 211246941 /nfs/dbraw/zinc/24/69/41/211246941.db2.gz NBFGIQAVRFTGAG-UHFFFAOYSA-N 1 2 339.420 3.547 50 0 EHAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccoc1 ZINC000011767704 211246944 /nfs/dbraw/zinc/24/69/44/211246944.db2.gz NBFGIQAVRFTGAG-UHFFFAOYSA-N 1 2 339.420 3.547 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2)C1 ZINC000091664868 218044509 /nfs/dbraw/zinc/04/45/09/218044509.db2.gz VVSAXDKPPFSQDI-LBPRGKRZSA-N 1 2 335.810 3.715 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(Cl)cc2C)C1 ZINC000091848793 218076837 /nfs/dbraw/zinc/07/68/37/218076837.db2.gz YKDXKIADNHNHLK-AWEZNQCLSA-N 1 2 331.847 3.885 50 0 EHAALO Cc1[nH]c2ccc(NC(=O)c3cccc(Br)c3)cc2[nH+]1 ZINC000010896004 211194492 /nfs/dbraw/zinc/19/44/92/211194492.db2.gz ZETMADOGMDTVEA-UHFFFAOYSA-N 1 2 330.185 3.886 50 0 EHAALO Cc1[nH]c2cc(NC(=O)c3cccc(Br)c3)ccc2[nH+]1 ZINC000010896004 211194495 /nfs/dbraw/zinc/19/44/95/211194495.db2.gz ZETMADOGMDTVEA-UHFFFAOYSA-N 1 2 330.185 3.886 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000010260894 211158304 /nfs/dbraw/zinc/15/83/04/211158304.db2.gz DNOPNNMGOIQTRO-MRXNPFEDSA-N 1 2 340.814 3.985 50 0 EHAALO C[C@@H](c1cccnc1)[N@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000093226599 218206099 /nfs/dbraw/zinc/20/60/99/218206099.db2.gz RFQDEWWNQAGWDZ-LBPRGKRZSA-N 1 2 328.803 3.978 50 0 EHAALO C[C@@H](c1cccnc1)[N@@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000093226599 218206102 /nfs/dbraw/zinc/20/61/02/218206102.db2.gz RFQDEWWNQAGWDZ-LBPRGKRZSA-N 1 2 328.803 3.978 50 0 EHAALO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)ccc1F ZINC000095369624 218303426 /nfs/dbraw/zinc/30/34/26/218303426.db2.gz HGXILKPUONXTER-INIZCTEOSA-N 1 2 329.419 3.931 50 0 EHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(Cc2nc(C(C)C)no2)C1 ZINC000095388684 218320552 /nfs/dbraw/zinc/32/05/52/218320552.db2.gz PLALPZYRLCWTGM-OAHLLOKOSA-N 1 2 331.464 3.569 50 0 EHAALO CCCCn1ccnc1[C@@H]1CCC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000095388684 218320554 /nfs/dbraw/zinc/32/05/54/218320554.db2.gz PLALPZYRLCWTGM-OAHLLOKOSA-N 1 2 331.464 3.569 50 0 EHAALO CCCCn1ccnc1[C@@H]1CCC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000095388684 218320556 /nfs/dbraw/zinc/32/05/56/218320556.db2.gz PLALPZYRLCWTGM-OAHLLOKOSA-N 1 2 331.464 3.569 50 0 EHAALO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000095406238 218341978 /nfs/dbraw/zinc/34/19/78/218341978.db2.gz ZCTORUFJTOPNKK-ZDUSSCGKSA-N 1 2 345.443 3.521 50 0 EHAALO C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)c1cc2ccccc2o1 ZINC000095407174 218343450 /nfs/dbraw/zinc/34/34/50/218343450.db2.gz XFCVDAUSPKUHNE-ZDUSSCGKSA-N 1 2 332.363 3.756 50 0 EHAALO Cc1nc(N2CCC(C(=O)c3cc(F)ccc3F)CC2)c(C)c(C)[nH+]1 ZINC000095416478 218354778 /nfs/dbraw/zinc/35/47/78/218354778.db2.gz SLOVAGTVSDYJSJ-UHFFFAOYSA-N 1 2 345.393 3.779 50 0 EHAALO Cc1cc(CNc2cccc(-c3[nH+]ccn3C)c2)ccc1-n1cncn1 ZINC000095428704 218370740 /nfs/dbraw/zinc/37/07/40/218370740.db2.gz GFQOYRRFYDGCOS-UHFFFAOYSA-N 1 2 344.422 3.588 50 0 EHAALO O=C(C[NH+]1Cc2ccccc2C1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000095432756 218374775 /nfs/dbraw/zinc/37/47/75/218374775.db2.gz IOECEWGFCACUJA-UHFFFAOYSA-N 1 2 338.426 3.580 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000280755400 258013650 /nfs/dbraw/zinc/01/36/50/258013650.db2.gz AKBWMXRWSWROFS-KSZLIROESA-N 1 2 341.430 3.899 50 0 EHAALO O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000281680986 258013786 /nfs/dbraw/zinc/01/37/86/258013786.db2.gz ZSVNRJIDGCWYJS-XIRDDKMYSA-N 1 2 342.418 3.732 50 0 EHAALO CC(C)c1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000055565750 132196497 /nfs/dbraw/zinc/19/64/97/132196497.db2.gz XNMJBZIKMTWAFG-UHFFFAOYSA-N 1 2 337.467 3.571 50 0 EHAALO O=C(NCCCn1cc[nH+]c1)N[C@@H](c1cccs1)C1CCCC1 ZINC000040119865 526289798 /nfs/dbraw/zinc/28/97/98/526289798.db2.gz NQYAQVWWFGAKCX-MRXNPFEDSA-N 1 2 332.473 3.565 50 0 EHAALO CCCCOc1c(Cl)cc(C(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000016345344 563809204 /nfs/dbraw/zinc/80/92/04/563809204.db2.gz KZQPQEAVFJVECC-UHFFFAOYSA-N 1 2 345.270 3.560 50 0 EHAALO CCCCOc1ccc(C(=O)NCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000002960805 563622079 /nfs/dbraw/zinc/62/20/79/563622079.db2.gz PZJRGRFLQLIOBR-UHFFFAOYSA-N 1 2 337.423 3.752 50 0 EHAALO Cc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1C ZINC000043144116 563852328 /nfs/dbraw/zinc/85/23/28/563852328.db2.gz AGWQGLUOVYUJFL-UHFFFAOYSA-N 1 2 334.423 3.870 50 0 EHAALO O=C(Nc1ccc(Cl)cc1F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000024601428 563873255 /nfs/dbraw/zinc/87/32/55/563873255.db2.gz TUJCDYXSEJNTLO-UHFFFAOYSA-N 1 2 348.805 3.564 50 0 EHAALO Cc1ccccc1CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000028683679 563903741 /nfs/dbraw/zinc/90/37/41/563903741.db2.gz GXSKCWFCLQXQPH-AWEZNQCLSA-N 1 2 343.496 3.865 50 0 EHAALO Cc1ccccc1CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000028683679 563903742 /nfs/dbraw/zinc/90/37/42/563903742.db2.gz GXSKCWFCLQXQPH-AWEZNQCLSA-N 1 2 343.496 3.865 50 0 EHAALO C[C@@H](CCc1ccccc1)CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000058367478 563944025 /nfs/dbraw/zinc/94/40/25/563944025.db2.gz IPBUSOPTJKEBFW-KRWDZBQOSA-N 1 2 348.450 3.543 50 0 EHAALO CC(C)(C)OCCCn1cc[nH+]c1-c1cncc(Br)c1 ZINC000096501942 563955930 /nfs/dbraw/zinc/95/59/30/563955930.db2.gz HIVYQGODARYFEU-UHFFFAOYSA-N 1 2 338.249 3.913 50 0 EHAALO Oc1ccc(-c2c(-c3ccccc3)ncn2CCc2c[nH]c[nH+]2)cc1 ZINC000065393940 563959563 /nfs/dbraw/zinc/95/95/63/563959563.db2.gz CVBXWDAQSYXFTF-UHFFFAOYSA-N 1 2 330.391 3.889 50 0 EHAALO O=C1C[C@H](c2[nH]cc[nH+]2)c2cc3c(cc2N1)Nc1ccccc1CC3 ZINC000065396070 563959615 /nfs/dbraw/zinc/95/96/15/563959615.db2.gz BZGDBZKOXYSMTC-HNNXBMFYSA-N 1 2 330.391 3.726 50 0 EHAALO c1[nH+]c(-c2ccccc2)c([C@@H]2CCOC2)n1CCCNc1cccnc1 ZINC000065534846 563962012 /nfs/dbraw/zinc/96/20/12/563962012.db2.gz GZHGDYHDOVSDDI-GOSISDBHSA-N 1 2 348.450 3.951 50 0 EHAALO Clc1ccc([C@@H]2CN(CCCn3cc[nH+]c3)CCO2)cc1Cl ZINC000071774573 563965711 /nfs/dbraw/zinc/96/57/11/563965711.db2.gz MTFISSZFZCEBIA-INIZCTEOSA-N 1 2 340.254 3.654 50 0 EHAALO CC(C)c1ocnc1Cn1cc[nH+]c1-c1cncc(Br)c1 ZINC000097085721 563967321 /nfs/dbraw/zinc/96/73/21/563967321.db2.gz NIFKTUQPCFCRRU-UHFFFAOYSA-N 1 2 347.216 3.867 50 0 EHAALO Cc1nc(-c2ccc(Cn3cc[nH+]c3-c3cccc(O)c3)cc2)no1 ZINC000077300774 563968850 /nfs/dbraw/zinc/96/88/50/563968850.db2.gz UPKABCAGFUPLFK-UHFFFAOYSA-N 1 2 332.363 3.662 50 0 EHAALO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c(F)c1 ZINC000082125940 563972514 /nfs/dbraw/zinc/97/25/14/563972514.db2.gz JWYLCHSKNAWRQH-INIZCTEOSA-N 1 2 341.430 3.760 50 0 EHAALO Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1F ZINC000033280230 563972904 /nfs/dbraw/zinc/97/29/04/563972904.db2.gz HWCKADIQWTWYSD-UHFFFAOYSA-N 1 2 342.418 3.841 50 0 EHAALO CCc1ccc(CN(C)C(=O)Nc2cc3[nH]c[nH+]c3c(C)c2C)nc1 ZINC000096149983 563979665 /nfs/dbraw/zinc/97/96/65/563979665.db2.gz PHGCOFKIABDXHU-UHFFFAOYSA-N 1 2 337.427 3.801 50 0 EHAALO CCc1ccc(CN(C)C(=O)Nc2cc3[nH+]c[nH]c3c(C)c2C)nc1 ZINC000096149983 563979666 /nfs/dbraw/zinc/97/96/66/563979666.db2.gz PHGCOFKIABDXHU-UHFFFAOYSA-N 1 2 337.427 3.801 50 0 EHAALO COc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccc(C)cc2)cc1 ZINC000000426505 563998594 /nfs/dbraw/zinc/99/85/94/563998594.db2.gz SIAWGGLQELVJFQ-UHFFFAOYSA-N 1 2 345.406 3.745 50 0 EHAALO C[C@H](CCn1cccn1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000272561490 564007412 /nfs/dbraw/zinc/00/74/12/564007412.db2.gz SEYIWKVRRPSROQ-MRXNPFEDSA-N 1 2 333.439 3.689 50 0 EHAALO CCC(=O)Nc1ccc(Nc2nc(N3CCCCC3)cc(C)[nH+]2)cc1 ZINC000017248254 564011445 /nfs/dbraw/zinc/01/14/45/564011445.db2.gz IBYKTGAGEYTZGA-UHFFFAOYSA-N 1 2 339.443 3.867 50 0 EHAALO C[C@H]([NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1nnnn1C ZINC000189784295 564016479 /nfs/dbraw/zinc/01/64/79/564016479.db2.gz OXRLJFKKIQXDFX-STQMWFEESA-N 1 2 341.390 3.553 50 0 EHAALO CC(C)[C@H]([NH2+]Cc1csc(C2CC2)n1)c1nnc2ccccn21 ZINC000113332687 564032695 /nfs/dbraw/zinc/03/26/95/564032695.db2.gz LLTBCBZGCGKLBH-HNNXBMFYSA-N 1 2 327.457 3.550 50 0 EHAALO CC(C)[N@H+](C)CC(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl ZINC000095979666 564043280 /nfs/dbraw/zinc/04/32/80/564043280.db2.gz PZCOBIPKGLZENY-UHFFFAOYSA-N 1 2 325.623 3.631 50 0 EHAALO CC(C)[N@@H+](C)CC(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl ZINC000095979666 564043281 /nfs/dbraw/zinc/04/32/81/564043281.db2.gz PZCOBIPKGLZENY-UHFFFAOYSA-N 1 2 325.623 3.631 50 0 EHAALO CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000225408199 564046462 /nfs/dbraw/zinc/04/64/62/564046462.db2.gz JGBTYLJLEKXBPZ-WOJBJXKFSA-N 1 2 349.478 3.657 50 0 EHAALO Cc1cc2[nH+]cn(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)c2cc1C ZINC000225506748 564047376 /nfs/dbraw/zinc/04/73/76/564047376.db2.gz YLBGPFDEBUKVPX-WMZOPIPTSA-N 1 2 325.456 3.834 50 0 EHAALO O=C(CCSCc1cn2ccccc2[nH+]1)NC1CCCCCC1 ZINC000012539935 564058560 /nfs/dbraw/zinc/05/85/60/564058560.db2.gz PDLFUUYYNUDYDD-UHFFFAOYSA-N 1 2 331.485 3.797 50 0 EHAALO Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012549671 564059013 /nfs/dbraw/zinc/05/90/13/564059013.db2.gz OAIQDKKTWACLJG-IRXDYDNUSA-N 1 2 349.434 3.825 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000012550224 564059047 /nfs/dbraw/zinc/05/90/47/564059047.db2.gz OQANQLGYGNGSDK-MRXNPFEDSA-N 1 2 343.789 3.732 50 0 EHAALO CCCC[C@H]1C=CCN1C(=O)c1cccc(-c2ccc(NC)[nH+]c2)c1 ZINC000534634134 564061311 /nfs/dbraw/zinc/06/13/11/564061311.db2.gz NUAXPBRPFYYLNV-IBGZPJMESA-N 1 2 335.451 3.783 50 0 EHAALO Cc1[nH]c2ccc(N(C)C(=O)COc3cccc(Cl)c3)cc2[nH+]1 ZINC000083996274 564065747 /nfs/dbraw/zinc/06/57/47/564065747.db2.gz RALSTIJTYFGCMS-UHFFFAOYSA-N 1 2 329.787 3.567 50 0 EHAALO Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1ccc(N(C)C)[nH+]c1 ZINC000084016838 564065799 /nfs/dbraw/zinc/06/57/99/564065799.db2.gz LSSRCEFWGFTRFB-UHFFFAOYSA-N 1 2 339.418 3.701 50 0 EHAALO O=C(Cc1cn2ccccc2[nH+]1)O[C@H](c1ccccc1)c1ccccn1 ZINC000084525050 564068544 /nfs/dbraw/zinc/06/85/44/564068544.db2.gz GKZAHIMWACKYNB-OAQYLSRUSA-N 1 2 343.386 3.605 50 0 EHAALO Cc1nnc(SCc2cn3cccc(C)c3[nH+]2)n1-c1ccccc1 ZINC000006105674 564074157 /nfs/dbraw/zinc/07/41/57/564074157.db2.gz DYCTYRDNYFBNNZ-UHFFFAOYSA-N 1 2 335.436 3.824 50 0 EHAALO CC(C)Sc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000015880149 564077377 /nfs/dbraw/zinc/07/73/77/564077377.db2.gz PDJXYSHRXNIZIO-UHFFFAOYSA-N 1 2 347.509 3.884 50 0 EHAALO CC(C)Sc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000015880149 564077378 /nfs/dbraw/zinc/07/73/78/564077378.db2.gz PDJXYSHRXNIZIO-UHFFFAOYSA-N 1 2 347.509 3.884 50 0 EHAALO O=C(Nc1cccc(Cl)c1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575613196 564082755 /nfs/dbraw/zinc/08/27/55/564082755.db2.gz PPAKWKFKWPGJJV-INIZCTEOSA-N 1 2 331.803 3.810 50 0 EHAALO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(Cl)cc1Cl ZINC000012984489 564085755 /nfs/dbraw/zinc/08/57/55/564085755.db2.gz WJKSRUBSKUPWNC-UHFFFAOYSA-N 1 2 343.279 3.803 50 0 EHAALO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(Cl)cc1Cl ZINC000012984489 564085756 /nfs/dbraw/zinc/08/57/56/564085756.db2.gz WJKSRUBSKUPWNC-UHFFFAOYSA-N 1 2 343.279 3.803 50 0 EHAALO Cc1n[nH]cc1CN(C)C(=O)c1cccc(-c2cc(C)[nH+]c(C)c2)c1 ZINC000426724062 564094458 /nfs/dbraw/zinc/09/44/58/564094458.db2.gz XBADRYVWGIDVKM-UHFFFAOYSA-N 1 2 334.423 3.669 50 0 EHAALO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000007200707 564105724 /nfs/dbraw/zinc/10/57/24/564105724.db2.gz RGWROBLOWJUSBE-ZDUSSCGKSA-N 1 2 333.391 3.968 50 0 EHAALO Cc1[nH+]c2n(c1C)CCN(c1ncc(C(F)(F)F)cc1Cl)C2 ZINC000065466509 564106099 /nfs/dbraw/zinc/10/60/99/564106099.db2.gz NEMMKULBOZYFKY-UHFFFAOYSA-N 1 2 330.741 3.587 50 0 EHAALO CCn1cc[nH+]c1-c1cccc(NC(=O)[C@H](C)c2c(C)n[nH]c2C)c1 ZINC000170594283 564109040 /nfs/dbraw/zinc/10/90/40/564109040.db2.gz JORRXUQZMCOIQK-GFCCVEGCSA-N 1 2 337.427 3.652 50 0 EHAALO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000089689281 564113131 /nfs/dbraw/zinc/11/31/31/564113131.db2.gz KIEIBIARXODHNJ-SFTDATJTSA-N 1 2 345.446 3.660 50 0 EHAALO O=C(NC1=[NH+]CCS1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000016778689 564113331 /nfs/dbraw/zinc/11/33/31/564113331.db2.gz GYKKZJTUSKOZIO-JNKARSBBSA-N 1 2 340.492 3.744 50 0 EHAALO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000246590511 564117825 /nfs/dbraw/zinc/11/78/25/564117825.db2.gz TWAMYWKSMZHBCE-BXKDBHETSA-N 1 2 342.226 3.899 50 0 EHAALO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000246590511 564117826 /nfs/dbraw/zinc/11/78/26/564117826.db2.gz TWAMYWKSMZHBCE-BXKDBHETSA-N 1 2 342.226 3.899 50 0 EHAALO c1csc([C@@H]([NH2+]Cc2ccnc(OC3CCC3)c2)c2ncc[nH]2)c1 ZINC000252509422 564120014 /nfs/dbraw/zinc/12/00/14/564120014.db2.gz YNQYZVFPSIIIIF-QGZVFWFLSA-N 1 2 340.452 3.677 50 0 EHAALO Cc1cc(Cl)ccc1N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1=O ZINC000037519705 564122265 /nfs/dbraw/zinc/12/22/65/564122265.db2.gz KNESXCSAECSUER-OAHLLOKOSA-N 1 2 328.843 3.886 50 0 EHAALO Cc1cc(Cl)ccc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1=O ZINC000037519705 564122266 /nfs/dbraw/zinc/12/22/66/564122266.db2.gz KNESXCSAECSUER-OAHLLOKOSA-N 1 2 328.843 3.886 50 0 EHAALO Cc1ccc(-n2cc(N[C@@H](c3[nH]cc[nH+]3)c3cccnc3)cn2)c(C)c1 ZINC000195128070 564122782 /nfs/dbraw/zinc/12/27/82/564122782.db2.gz DXJMMRMQFHQHMM-LJQANCHMSA-N 1 2 344.422 3.809 50 0 EHAALO O=C(c1cc(Cl)ccc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000253399730 564130577 /nfs/dbraw/zinc/13/05/77/564130577.db2.gz JVTMENPKZCSCNM-CYBMUJFWSA-N 1 2 337.206 3.682 50 0 EHAALO CCc1nc(-c2ccc(C(=O)N(C)Cc3[nH]cc[nH+]3)cc2)ccc1C ZINC000584891029 564131547 /nfs/dbraw/zinc/13/15/47/564131547.db2.gz UGYNWOLOUNQUQA-UHFFFAOYSA-N 1 2 334.423 3.615 50 0 EHAALO COC(=O)C[C@@H](c1ccc(Cl)cc1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096230871 564146075 /nfs/dbraw/zinc/14/60/75/564146075.db2.gz SQKHERQYLSGTGB-NSHDSACASA-N 1 2 348.811 3.745 50 0 EHAALO Cc1cccn2cc(C[S@@](=O)[C@@H](C)c3c(F)cccc3F)[nH+]c12 ZINC000096459958 564148331 /nfs/dbraw/zinc/14/83/31/564148331.db2.gz RMHYXFSXCXBEBT-MYODQAERSA-N 1 2 334.391 3.931 50 0 EHAALO CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)[nH]1 ZINC000096489759 564148725 /nfs/dbraw/zinc/14/87/25/564148725.db2.gz PHSWWEHLYQMFCV-QGZVFWFLSA-N 1 2 331.847 3.707 50 0 EHAALO CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)[nH]1 ZINC000096489759 564148726 /nfs/dbraw/zinc/14/87/26/564148726.db2.gz PHSWWEHLYQMFCV-QGZVFWFLSA-N 1 2 331.847 3.707 50 0 EHAALO O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000097197382 564149515 /nfs/dbraw/zinc/14/95/15/564149515.db2.gz BYYIKEXGMVNQER-LJQANCHMSA-N 1 2 345.446 3.536 50 0 EHAALO CC[C@@H]1CCCC[N@@H+]1Cn1nc(-c2ccc3c(c2)OCO3)oc1=S ZINC000003287386 564157014 /nfs/dbraw/zinc/15/70/14/564157014.db2.gz VOBWHGLKDSOVIN-CYBMUJFWSA-N 1 2 347.440 3.823 50 0 EHAALO CC[C@@H]1CCCC[N@H+]1Cn1nc(-c2ccc3c(c2)OCO3)oc1=S ZINC000003287386 564157015 /nfs/dbraw/zinc/15/70/15/564157015.db2.gz VOBWHGLKDSOVIN-CYBMUJFWSA-N 1 2 347.440 3.823 50 0 EHAALO Cc1cccc(NC(=S)N2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000058096364 564157604 /nfs/dbraw/zinc/15/76/04/564157604.db2.gz DOKCFLKBEHQPLH-UHFFFAOYSA-N 1 2 343.471 3.996 50 0 EHAALO Cc1cccc(NC(=S)N2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000058096364 564157605 /nfs/dbraw/zinc/15/76/05/564157605.db2.gz DOKCFLKBEHQPLH-UHFFFAOYSA-N 1 2 343.471 3.996 50 0 EHAALO C/C(=C/C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1Cl ZINC000066644014 564163657 /nfs/dbraw/zinc/16/36/57/564163657.db2.gz WMGYXLOZXXDCLG-OWBHPGMISA-N 1 2 329.831 3.804 50 0 EHAALO Cc1cc(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)c(C)s1 ZINC000069435909 564169464 /nfs/dbraw/zinc/16/94/64/564169464.db2.gz CIWIEWOTOVHMOG-UHFFFAOYSA-N 1 2 329.469 3.501 50 0 EHAALO CC(C)c1noc([C@@H](C)[NH+]2CCC(OCc3ccccc3)CC2)n1 ZINC000069531088 564170245 /nfs/dbraw/zinc/17/02/45/564170245.db2.gz WBSJPFADHWKUBW-OAHLLOKOSA-N 1 2 329.444 3.935 50 0 EHAALO O=C(NCCc1cn2c([nH+]1)CCCC2)N(CC1CC1)C1CCCCC1 ZINC000069772894 564172102 /nfs/dbraw/zinc/17/21/02/564172102.db2.gz ULSDZLJJDQKHKE-UHFFFAOYSA-N 1 2 344.503 3.516 50 0 EHAALO Cn1cc([C@@H]2CCC[N@@H+]2Cc2csc(Cc3ccccc3)n2)cn1 ZINC000069840762 564172437 /nfs/dbraw/zinc/17/24/37/564172437.db2.gz GMZGCAVIUNJJOV-SFHVURJKSA-N 1 2 338.480 3.805 50 0 EHAALO Cn1cc([C@@H]2CCC[N@H+]2Cc2csc(Cc3ccccc3)n2)cn1 ZINC000069840762 564172438 /nfs/dbraw/zinc/17/24/38/564172438.db2.gz GMZGCAVIUNJJOV-SFHVURJKSA-N 1 2 338.480 3.805 50 0 EHAALO C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000069968138 564172927 /nfs/dbraw/zinc/17/29/27/564172927.db2.gz YZBGXEAACBEBIP-KRWDZBQOSA-N 1 2 348.450 3.615 50 0 EHAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1cccc2[nH]ccc21 ZINC000071803381 564175536 /nfs/dbraw/zinc/17/55/36/564175536.db2.gz XOVSUUWOCQDXIH-UHFFFAOYSA-N 1 2 345.406 3.734 50 0 EHAALO Cc1ccc(NC(C)(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000825175740 1131255308 /nfs/dbraw/zinc/25/53/08/1131255308.db2.gz FPCNUXJQEWKTBF-UHFFFAOYSA-N 1 2 348.450 3.688 50 0 EHAALO Cc1c[nH+]c(C2CN(C(=O)CCCc3ccccc3)C2)n1CC1CC1 ZINC000581812630 1132366155 /nfs/dbraw/zinc/36/61/55/1132366155.db2.gz DAZACYANLOCYRA-UHFFFAOYSA-N 1 2 337.467 3.550 50 0 EHAALO Cc1c[nH+]c(-c2ccncc2)n1C[C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC000581807132 1132370122 /nfs/dbraw/zinc/37/01/22/1132370122.db2.gz CVTUGJAXKLNOQT-QGZVFWFLSA-N 1 2 340.471 3.538 50 0 EHAALO Cc1c[nH+]c(-c2cccnc2)n1CC1CCN(C(=O)CC(C)C)CC1 ZINC000581808427 1132370476 /nfs/dbraw/zinc/37/04/76/1132370476.db2.gz RRSUQCZZNTXHBR-UHFFFAOYSA-N 1 2 340.471 3.538 50 0 EHAALO COc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)c2csc(C)c2)CC1 ZINC000585081651 1136965324 /nfs/dbraw/zinc/96/53/24/1136965324.db2.gz ADSPMAAILDSBCH-OAHLLOKOSA-N 1 2 344.480 3.584 50 0 EHAALO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1nc(N(C)C)no1)C(C)C ZINC000192782763 1137456565 /nfs/dbraw/zinc/45/65/65/1137456565.db2.gz PZMHOQZPEYHPTD-INIZCTEOSA-N 1 2 328.416 3.677 50 0 EHAALO CN(C)c1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000952975973 1137484420 /nfs/dbraw/zinc/48/44/20/1137484420.db2.gz DJZUGWIUIBRAFK-UHFFFAOYSA-N 1 2 349.837 3.616 50 0 EHAALO CN(C)c1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000952975973 1137484421 /nfs/dbraw/zinc/48/44/21/1137484421.db2.gz DJZUGWIUIBRAFK-UHFFFAOYSA-N 1 2 349.837 3.616 50 0 EHAALO c1coc(-c2ncc(C[NH2+]Cc3coc(-c4ccccc4)n3)cn2)c1 ZINC000952986069 1137485494 /nfs/dbraw/zinc/48/54/94/1137485494.db2.gz YCQSMGDOPJNOCO-UHFFFAOYSA-N 1 2 332.363 3.681 50 0 EHAALO Cc1cccn2cc(-c3ccc(NC(=O)c4ccncc4)cc3)[nH+]c12 ZINC000053837429 214201856 /nfs/dbraw/zinc/20/18/56/214201856.db2.gz KTDWRFVJKIVLAI-UHFFFAOYSA-N 1 2 328.375 3.957 50 0 EHAALO CC[N@H+](CCCNC(=O)/C=C\c1ccc(OC)cc1)c1ccccc1 ZINC000098004007 219067070 /nfs/dbraw/zinc/06/70/70/219067070.db2.gz ZGPPPNKQJUZBNX-QINSGFPZSA-N 1 2 338.451 3.741 50 0 EHAALO CC[N@@H+](CCCNC(=O)/C=C\c1ccc(OC)cc1)c1ccccc1 ZINC000098004007 219067073 /nfs/dbraw/zinc/06/70/73/219067073.db2.gz ZGPPPNKQJUZBNX-QINSGFPZSA-N 1 2 338.451 3.741 50 0 EHAALO COc1cc[nH+]cc1NC(=O)[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000098013898 219068900 /nfs/dbraw/zinc/06/89/00/219068900.db2.gz RXJOYOFOLXDJPT-MAUKXSAKSA-N 1 2 326.396 3.505 50 0 EHAALO O=C(Cc1ccc(Cl)cc1)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC000004626555 210235289 /nfs/dbraw/zinc/23/52/89/210235289.db2.gz UFJIWEJKEJPZMC-UHFFFAOYSA-N 1 2 325.799 3.766 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000101296982 219121926 /nfs/dbraw/zinc/12/19/26/219121926.db2.gz PUGGOYKRZQZRAG-INIZCTEOSA-N 1 2 339.782 3.503 50 0 EHAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(Cl)cc1 ZINC000066888203 215091659 /nfs/dbraw/zinc/09/16/59/215091659.db2.gz IEZWDQVBCFYDKB-UHFFFAOYSA-N 1 2 326.787 3.847 50 0 EHAALO CCc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000003390896 210025720 /nfs/dbraw/zinc/02/57/20/210025720.db2.gz FXJMWGCHBISOMO-OAHLLOKOSA-N 1 2 338.451 3.911 50 0 EHAALO CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000003390896 210025723 /nfs/dbraw/zinc/02/57/23/210025723.db2.gz FXJMWGCHBISOMO-OAHLLOKOSA-N 1 2 338.451 3.911 50 0 EHAALO Cc1ccc(N2CC[NH+](CC(=O)c3cc(C)c(C)cc3C)CC2)cc1 ZINC000067206499 215123657 /nfs/dbraw/zinc/12/36/57/215123657.db2.gz OOORVYYFHSKPAH-UHFFFAOYSA-N 1 2 336.479 3.925 50 0 EHAALO COc1ccc(C[N@H+](C)[C@@H](C)c2nc(C(C)(C)C)no2)cc1OC ZINC000040490447 213320051 /nfs/dbraw/zinc/32/00/51/213320051.db2.gz WWQCEKRCPVYKQH-LBPRGKRZSA-N 1 2 333.432 3.577 50 0 EHAALO COc1ccc(C[N@@H+](C)[C@@H](C)c2nc(C(C)(C)C)no2)cc1OC ZINC000040490447 213320056 /nfs/dbraw/zinc/32/00/56/213320056.db2.gz WWQCEKRCPVYKQH-LBPRGKRZSA-N 1 2 333.432 3.577 50 0 EHAALO Cc1ccc2[nH+]c(CN3CCC[C@H]3c3nc4cc(F)ccc4[nH]3)cn2c1 ZINC000072124250 216016499 /nfs/dbraw/zinc/01/64/99/216016499.db2.gz ZMRXSXNQJFQPRR-SFHVURJKSA-N 1 2 349.413 3.995 50 0 EHAALO O=[S@](Cc1[nH+]ccn1Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000072910033 216327396 /nfs/dbraw/zinc/32/73/96/216327396.db2.gz ZLEDQPJSIOVGBQ-XMMPIXPASA-N 1 2 346.402 3.659 50 0 EHAALO CC(C)[C@H](NC(=O)C[N@H+](C)Cc1ccc(F)cc1F)c1ccccc1 ZINC000022965160 212339770 /nfs/dbraw/zinc/33/97/70/212339770.db2.gz HBIDHTFPMDCBKG-FQEVSTJZSA-N 1 2 346.421 3.910 50 0 EHAALO CC(C)[C@H](NC(=O)C[N@@H+](C)Cc1ccc(F)cc1F)c1ccccc1 ZINC000022965160 212339773 /nfs/dbraw/zinc/33/97/73/212339773.db2.gz HBIDHTFPMDCBKG-FQEVSTJZSA-N 1 2 346.421 3.910 50 0 EHAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000022228083 212282804 /nfs/dbraw/zinc/28/28/04/212282804.db2.gz UPSNPDIGMOVOSN-ZACQAIPSSA-N 1 2 338.451 3.790 50 0 EHAALO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)c(OC)c1OC ZINC000215753392 241144826 /nfs/dbraw/zinc/14/48/26/241144826.db2.gz IOYSPNMEAXFTHN-CYBMUJFWSA-N 1 2 334.441 3.506 50 0 EHAALO COc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)c(OC)c1OC ZINC000215753392 241144831 /nfs/dbraw/zinc/14/48/31/241144831.db2.gz IOYSPNMEAXFTHN-CYBMUJFWSA-N 1 2 334.441 3.506 50 0 EHAALO Cc1c[nH]c(CN(C)C(=O)c2cc(C(F)(F)F)ccc2Cl)[nH+]1 ZINC000215480435 241127961 /nfs/dbraw/zinc/12/79/61/241127961.db2.gz JZNNFIVSSGBMEU-UHFFFAOYSA-N 1 2 331.725 3.663 50 0 EHAALO CC(C)[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1[nH]cc[nH+]1 ZINC000225837905 242056795 /nfs/dbraw/zinc/05/67/95/242056795.db2.gz UJCSVAABCXSAMQ-LBPRGKRZSA-N 1 2 326.322 3.947 50 0 EHAALO O=C(NC[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1Cl ZINC000226757435 242114762 /nfs/dbraw/zinc/11/47/62/242114762.db2.gz IIRISJZJCCHMKI-UHFFFAOYSA-N 1 2 342.870 3.982 50 0 EHAALO COc1cccc(C[C@H]2C[N@H+](C/C(C)=C/c3ccco3)CCO2)c1 ZINC000020539903 212145331 /nfs/dbraw/zinc/14/53/31/212145331.db2.gz LIAADPIJDLLGKQ-PRDNPTHXSA-N 1 2 327.424 3.635 50 0 EHAALO COc1cccc(C[C@H]2C[N@@H+](C/C(C)=C/c3ccco3)CCO2)c1 ZINC000020539903 212145333 /nfs/dbraw/zinc/14/53/33/212145333.db2.gz LIAADPIJDLLGKQ-PRDNPTHXSA-N 1 2 327.424 3.635 50 0 EHAALO CCc1ccc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000020192577 212109588 /nfs/dbraw/zinc/10/95/88/212109588.db2.gz WFLTUYXXMYLZGU-UHFFFAOYSA-N 1 2 341.430 3.738 50 0 EHAALO CC(C)c1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019929051 212085541 /nfs/dbraw/zinc/08/55/41/212085541.db2.gz GWQPCKYDRCLZGF-UHFFFAOYSA-N 1 2 338.451 3.895 50 0 EHAALO CCc1cccc(C)c1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019897178 212081053 /nfs/dbraw/zinc/08/10/53/212081053.db2.gz XTHASTVILGUCFH-UHFFFAOYSA-N 1 2 338.451 3.642 50 0 EHAALO CSc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000019841241 212073781 /nfs/dbraw/zinc/07/37/81/212073781.db2.gz UBDJGALHHAXHQU-UHFFFAOYSA-N 1 2 330.472 3.865 50 0 EHAALO CN1c2ccccc2[N@@H+](CC(=O)c2ccc(Cl)c(Cl)c2)C1=N ZINC000019790097 212066882 /nfs/dbraw/zinc/06/68/82/212066882.db2.gz GXLWAPRPPMYBOD-UHFFFAOYSA-N 1 2 334.206 3.649 50 0 EHAALO CN1c2ccccc2[N@H+](CC(=O)c2ccc(Cl)c(Cl)c2)C1=N ZINC000019790097 212066884 /nfs/dbraw/zinc/06/68/84/212066884.db2.gz GXLWAPRPPMYBOD-UHFFFAOYSA-N 1 2 334.206 3.649 50 0 EHAALO COc1ccccc1CN1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000019781714 212065691 /nfs/dbraw/zinc/06/56/91/212065691.db2.gz XNRIQQMSPDGPEV-UHFFFAOYSA-N 1 2 342.508 3.735 50 0 EHAALO CN(C)C(=O)c1cc(-n2cc[nH+]c2-c2ccc3occc3c2)ccc1O ZINC000082129244 217473112 /nfs/dbraw/zinc/47/31/12/217473112.db2.gz PTIVZYTVXQJKAR-UHFFFAOYSA-N 1 2 347.374 3.693 50 0 EHAALO CCn1ccnc1C[N@@H+]1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012314275 211342445 /nfs/dbraw/zinc/34/24/45/211342445.db2.gz ITSDFZMVAJLIHR-HNNXBMFYSA-N 1 2 331.847 3.651 50 0 EHAALO CCn1ccnc1C[N@H+]1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012314275 211342448 /nfs/dbraw/zinc/34/24/48/211342448.db2.gz ITSDFZMVAJLIHR-HNNXBMFYSA-N 1 2 331.847 3.651 50 0 EHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)NCc2ccc(F)cc2)CC1 ZINC000091494678 218014242 /nfs/dbraw/zinc/01/42/42/218014242.db2.gz GWPOMDBGFLVLLZ-UHFFFAOYSA-N 1 2 344.434 3.692 50 0 EHAALO O=C(Cc1ccsc1)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091585591 218024898 /nfs/dbraw/zinc/02/48/98/218024898.db2.gz DQZQOJJETMFPCZ-UHFFFAOYSA-N 1 2 343.496 3.693 50 0 EHAALO Cc1c(Cl)cc(C(=O)N(C)CCCc2[nH+]ccn2C)cc1Cl ZINC000091664839 218044795 /nfs/dbraw/zinc/04/47/95/218044795.db2.gz HRDLRGWURITLKK-UHFFFAOYSA-N 1 2 340.254 3.740 50 0 EHAALO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000011661903 211229716 /nfs/dbraw/zinc/22/97/16/211229716.db2.gz QZOZBTIIXXRETK-KRWDZBQOSA-N 1 2 345.446 3.756 50 0 EHAALO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000011661903 211229718 /nfs/dbraw/zinc/22/97/18/211229718.db2.gz QZOZBTIIXXRETK-KRWDZBQOSA-N 1 2 345.446 3.756 50 0 EHAALO Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000092061900 218111567 /nfs/dbraw/zinc/11/15/67/218111567.db2.gz ZTLFPDYITHVMOY-MRXNPFEDSA-N 1 2 337.423 3.799 50 0 EHAALO CC(C)c1noc(CN2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)n1 ZINC000095366385 218299490 /nfs/dbraw/zinc/29/94/90/218299490.db2.gz FLVMADNEUVFVDV-INIZCTEOSA-N 1 2 343.475 3.569 50 0 EHAALO CC(C)c1noc(C[N@@H+]2CCC[C@H](c3nccn3CC3CCC3)C2)n1 ZINC000095366385 218299492 /nfs/dbraw/zinc/29/94/92/218299492.db2.gz FLVMADNEUVFVDV-INIZCTEOSA-N 1 2 343.475 3.569 50 0 EHAALO CC(C)c1noc(C[N@H+]2CCC[C@H](c3nccn3CC3CCC3)C2)n1 ZINC000095366385 218299493 /nfs/dbraw/zinc/29/94/93/218299493.db2.gz FLVMADNEUVFVDV-INIZCTEOSA-N 1 2 343.475 3.569 50 0 EHAALO COc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1OC ZINC000095377578 218309774 /nfs/dbraw/zinc/30/97/74/218309774.db2.gz UHLFDFBBRPVDQI-FQEVSTJZSA-N 1 2 334.419 3.978 50 0 EHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(C)ccc2O)C1 ZINC000095388849 218321102 /nfs/dbraw/zinc/32/11/02/218321102.db2.gz QTYDCFBFEVTKFI-MRXNPFEDSA-N 1 2 341.455 3.717 50 0 EHAALO CC(C)n1cc([C@@H](C)[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)cn1 ZINC000095419871 218359482 /nfs/dbraw/zinc/35/94/82/218359482.db2.gz SXTBMXZGAXWQFX-KDOFPFPSSA-N 1 2 341.434 3.777 50 0 EHAALO Cc1cccn2cc(CSc3nnc(-c4ccccc4)n3C)[nH+]c12 ZINC000005902962 210555638 /nfs/dbraw/zinc/55/56/38/210555638.db2.gz NOESQVLIABQKHM-UHFFFAOYSA-N 1 2 335.436 3.731 50 0 EHAALO Cc1cc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c(C)o1 ZINC000096446432 218828937 /nfs/dbraw/zinc/82/89/37/218828937.db2.gz VJHKTHOQXQEIDA-RBUKOAKNSA-N 1 2 335.407 3.752 50 0 EHAALO C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)c1ccncc1 ZINC000012534696 258054494 /nfs/dbraw/zinc/05/44/94/258054494.db2.gz CVZZLRKOBVDIII-GFCCVEGCSA-N 1 2 334.358 3.523 50 0 EHAALO O=C(NCCCn1cc[nH+]c1)c1ccc(-c2ccccc2Cl)o1 ZINC000012535062 258054639 /nfs/dbraw/zinc/05/46/39/258054639.db2.gz MEJDXSOUWHCIAB-UHFFFAOYSA-N 1 2 329.787 3.617 50 0 EHAALO COc1cccc(C[N@@H+]2CCN(c3ccc(C)c(C)c3)C(=O)[C@H]2C)c1 ZINC000037519869 132395152 /nfs/dbraw/zinc/39/51/52/132395152.db2.gz NUTOGNWADFRTIJ-QGZVFWFLSA-N 1 2 338.451 3.549 50 0 EHAALO COc1cccc(C[N@H+]2CCN(c3ccc(C)c(C)c3)C(=O)[C@H]2C)c1 ZINC000037519869 132395153 /nfs/dbraw/zinc/39/51/53/132395153.db2.gz NUTOGNWADFRTIJ-QGZVFWFLSA-N 1 2 338.451 3.549 50 0 EHAALO Cc1n[nH]c(C)c1NC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000272503221 526500855 /nfs/dbraw/zinc/50/08/55/526500855.db2.gz GVGLIXPPQQQLTE-GFCCVEGCSA-N 1 2 342.447 3.753 50 0 EHAALO C[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2C1 ZINC000015880096 564077321 /nfs/dbraw/zinc/07/73/21/564077321.db2.gz POEXPYLHKAATOZ-UHFFFAOYSA-N 1 2 342.251 3.690 50 0 EHAALO C[N@H+]1CCc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2C1 ZINC000015880096 564077322 /nfs/dbraw/zinc/07/73/22/564077322.db2.gz POEXPYLHKAATOZ-UHFFFAOYSA-N 1 2 342.251 3.690 50 0 EHAALO Cc1cccc(-n2ncc3c2nc[nH+]c3NCCc2ccccc2)c1 ZINC000000425609 563309885 /nfs/dbraw/zinc/30/98/85/563309885.db2.gz NVPXSVRLIZNYEU-UHFFFAOYSA-N 1 2 329.407 3.779 50 0 EHAALO CC(C)([NH2+]Cc1nnc(C2CC2)o1)c1cccc(C(F)(F)F)c1 ZINC000071909223 563572651 /nfs/dbraw/zinc/57/26/51/563572651.db2.gz MVVRGCCGJBLCCF-UHFFFAOYSA-N 1 2 325.334 3.991 50 0 EHAALO CC(C)N(C[C@H]1CCC[N@H+](Cc2ccon2)C1)C(=O)OC(C)(C)C ZINC000071913991 563601572 /nfs/dbraw/zinc/60/15/72/563601572.db2.gz PCTPRUDZMQQVMT-HNNXBMFYSA-N 1 2 337.464 3.532 50 0 EHAALO CC(C)N(C[C@H]1CCC[N@@H+](Cc2ccon2)C1)C(=O)OC(C)(C)C ZINC000071913991 563601573 /nfs/dbraw/zinc/60/15/73/563601573.db2.gz PCTPRUDZMQQVMT-HNNXBMFYSA-N 1 2 337.464 3.532 50 0 EHAALO Cc1scc(C(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)c1C ZINC000016606126 563817319 /nfs/dbraw/zinc/81/73/19/563817319.db2.gz PJOBEEFHKJLKHW-UHFFFAOYSA-N 1 2 328.481 3.631 50 0 EHAALO C[C@@H](c1ccccc1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026302694 563890828 /nfs/dbraw/zinc/89/08/28/563890828.db2.gz UVDDIKWAIKJQNZ-INIZCTEOSA-N 1 2 338.455 3.584 50 0 EHAALO Cc1ccc(C(=O)C2CC[NH+](Cc3nc(C(C)C)no3)CC2)c(C)c1 ZINC000026646258 563892479 /nfs/dbraw/zinc/89/24/79/563892479.db2.gz LDRGMNZCOJOBKL-UHFFFAOYSA-N 1 2 341.455 3.905 50 0 EHAALO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccc(N(C)C)cc1 ZINC000030676194 563910211 /nfs/dbraw/zinc/91/02/11/563910211.db2.gz RKVXADAWBBOFMZ-ZDUSSCGKSA-N 1 2 340.452 3.520 50 0 EHAALO COc1ccc([C@@H]([NH2+]Cc2ccc(C)s2)c2nccn2C)cc1 ZINC000030651184 563910240 /nfs/dbraw/zinc/91/02/40/563910240.db2.gz RPNYBZQSBKYTFR-QGZVFWFLSA-N 1 2 327.453 3.678 50 0 EHAALO Cc1ccc(CNC(=O)CCSCc2cn3ccccc3[nH+]2)cc1 ZINC000030892007 563911632 /nfs/dbraw/zinc/91/16/32/563911632.db2.gz DIPRPWKFAPVRBQ-UHFFFAOYSA-N 1 2 339.464 3.582 50 0 EHAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1Cl ZINC000043210859 563925436 /nfs/dbraw/zinc/92/54/36/563925436.db2.gz CNHKUIFUYYLTFJ-UHFFFAOYSA-N 1 2 333.790 3.542 50 0 EHAALO CCCCS[C@@H](C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000058161790 563938374 /nfs/dbraw/zinc/93/83/74/563938374.db2.gz GVILNLXSZWLYSI-NSHDSACASA-N 1 2 325.865 3.526 50 0 EHAALO Cc1nc(C2CCCC2)sc1C(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000096431135 563952666 /nfs/dbraw/zinc/95/26/66/563952666.db2.gz LORRTLXZYJPMER-CABCVRRESA-N 1 2 344.484 3.829 50 0 EHAALO CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1[C@H](C)c1cnn(C)c1 ZINC000065403263 563959979 /nfs/dbraw/zinc/95/99/79/563959979.db2.gz FQRGNDBRZSMFLR-OAHLLOKOSA-N 1 2 346.438 3.776 50 0 EHAALO CCc1nc(C)sc1CNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000065468622 563961287 /nfs/dbraw/zinc/96/12/87/563961287.db2.gz QLGFYFVSTFRHTG-UHFFFAOYSA-N 1 2 325.441 3.786 50 0 EHAALO CC(=O)Nc1ccc(-c2[nH+]ccn2[C@H](C)c2csc(C)n2)cc1 ZINC000071498783 563964495 /nfs/dbraw/zinc/96/44/95/563964495.db2.gz UWVBDGOPZHBLEZ-LLVKDONJSA-N 1 2 326.425 3.883 50 0 EHAALO Clc1ccc([C@H]2C[N@H+](CCCn3cccn3)CCO2)cc1Cl ZINC000071751910 563965195 /nfs/dbraw/zinc/96/51/95/563965195.db2.gz PNAKIIJGAGLCNA-MRXNPFEDSA-N 1 2 340.254 3.654 50 0 EHAALO Clc1ccc([C@H]2C[N@@H+](CCCn3cccn3)CCO2)cc1Cl ZINC000071751910 563965196 /nfs/dbraw/zinc/96/51/96/563965196.db2.gz PNAKIIJGAGLCNA-MRXNPFEDSA-N 1 2 340.254 3.654 50 0 EHAALO Cc1ccc(C2=NN(C[NH+]3CCCCC3)C(=O)[C@H]3CCCC[C@H]23)cc1 ZINC000071782586 563965804 /nfs/dbraw/zinc/96/58/04/563965804.db2.gz AZBSOQZPYUMIOP-OALUTQOASA-N 1 2 339.483 3.791 50 0 EHAALO O=C1OCCN1Cc1ccc(N[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000097103771 563967632 /nfs/dbraw/zinc/96/76/32/563967632.db2.gz JPZFKVITNCYJLL-SFHVURJKSA-N 1 2 348.406 3.563 50 0 EHAALO Cc1cc(C)c2nc(C)cc(C(=O)NCC[C@@H](C)n3cc[nH+]c3)c2c1 ZINC000077298524 563968815 /nfs/dbraw/zinc/96/88/15/563968815.db2.gz BPPZEDIYLNROAA-MRXNPFEDSA-N 1 2 336.439 3.738 50 0 EHAALO C[NH+](C)Cc1nc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cs1 ZINC000082107589 563972315 /nfs/dbraw/zinc/97/23/15/563972315.db2.gz DOIBNDSUXCUCCO-INIZCTEOSA-N 1 2 347.459 3.711 50 0 EHAALO Cc1csc([C@@H]2C[N@H+](Cc3ccc(F)c4cccnc34)CCO2)n1 ZINC000065463472 563998190 /nfs/dbraw/zinc/99/81/90/563998190.db2.gz DOHKOUWWMKRCDP-INIZCTEOSA-N 1 2 343.427 3.712 50 0 EHAALO Cc1csc([C@@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)CCO2)n1 ZINC000065463472 563998191 /nfs/dbraw/zinc/99/81/91/563998191.db2.gz DOHKOUWWMKRCDP-INIZCTEOSA-N 1 2 343.427 3.712 50 0 EHAALO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1ccccc1 ZINC000079923658 564001035 /nfs/dbraw/zinc/00/10/35/564001035.db2.gz CPEHGQVJWLSSKR-VBKZILBWSA-N 1 2 349.434 3.578 50 0 EHAALO Cc1[nH]c2cc(C)ccc2c1C(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000017381984 564011876 /nfs/dbraw/zinc/01/18/76/564011876.db2.gz XQFGXOHFFRFRRX-UHFFFAOYSA-N 1 2 347.462 3.790 50 0 EHAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1cc2c(cccc2F)[nH]1 ZINC000048163404 564029963 /nfs/dbraw/zinc/02/99/63/564029963.db2.gz MTXTVSDLJHOEJD-UHFFFAOYSA-N 1 2 334.354 3.804 50 0 EHAALO C[C@H](Sc1ccccc1Cl)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000048350500 564031363 /nfs/dbraw/zinc/03/13/63/564031363.db2.gz XKGYYJBIIGUMNL-LBPRGKRZSA-N 1 2 345.855 3.785 50 0 EHAALO COc1ccccc1NC(=O)/C=C1/c2ccccc2CC(C)(C)[N@H+]1C ZINC000032609511 564050093 /nfs/dbraw/zinc/05/00/93/564050093.db2.gz HBUSHAAZJNYFTC-AQTBWJFISA-N 1 2 336.435 3.941 50 0 EHAALO COc1ccccc1NC(=O)/C=C1/c2ccccc2CC(C)(C)[N@@H+]1C ZINC000032609511 564050094 /nfs/dbraw/zinc/05/00/94/564050094.db2.gz HBUSHAAZJNYFTC-AQTBWJFISA-N 1 2 336.435 3.941 50 0 EHAALO CN(C)c1[nH+]cccc1NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000083854158 564063784 /nfs/dbraw/zinc/06/37/84/564063784.db2.gz SRJQMOBINXXTKV-STQMWFEESA-N 1 2 349.356 3.909 50 0 EHAALO O=[S@@](Cc1cn2cc(Br)ccc2[nH+]1)C1CCCCC1 ZINC000083977968 564065453 /nfs/dbraw/zinc/06/54/53/564065453.db2.gz MLWAMCGRGUGLOM-LJQANCHMSA-N 1 2 341.274 3.678 50 0 EHAALO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000015698696 564070881 /nfs/dbraw/zinc/07/08/81/564070881.db2.gz MBSQZBPZXKGMGY-UHFFFAOYSA-N 1 2 328.843 3.606 50 0 EHAALO C[N@@H+](Cc1cccc(Cl)c1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000012852767 564075412 /nfs/dbraw/zinc/07/54/12/564075412.db2.gz FQYANZOBONFWBB-UHFFFAOYSA-N 1 2 337.206 3.991 50 0 EHAALO C[N@H+](Cc1cccc(Cl)c1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000012852767 564075413 /nfs/dbraw/zinc/07/54/13/564075413.db2.gz FQYANZOBONFWBB-UHFFFAOYSA-N 1 2 337.206 3.991 50 0 EHAALO O=C(Nc1ccccc1Cl)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000075140572 564080560 /nfs/dbraw/zinc/08/05/60/564080560.db2.gz DESHRCAHVSDMRZ-QGZVFWFLSA-N 1 2 329.831 3.728 50 0 EHAALO O=C(Nc1ccccc1Cl)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000075140572 564080561 /nfs/dbraw/zinc/08/05/61/564080561.db2.gz DESHRCAHVSDMRZ-QGZVFWFLSA-N 1 2 329.831 3.728 50 0 EHAALO CCOc1ccccc1NC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575613764 564082781 /nfs/dbraw/zinc/08/27/81/564082781.db2.gz SZYSSFLOZWVUEL-INIZCTEOSA-N 1 2 341.411 3.556 50 0 EHAALO CCOc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N[C@H]1CCCC[C@H]1C)CC2 ZINC000242339297 564088498 /nfs/dbraw/zinc/08/84/98/564088498.db2.gz ZGQBSWBLSUUESJ-QINHECLXSA-N 1 2 344.499 3.527 50 0 EHAALO CCOc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)N[C@H]1CCCC[C@H]1C)CC2 ZINC000242339297 564088499 /nfs/dbraw/zinc/08/84/99/564088499.db2.gz ZGQBSWBLSUUESJ-QINHECLXSA-N 1 2 344.499 3.527 50 0 EHAALO C[N@@H+]1CCc2c(c3cc(F)ccc3n2CCC(=O)OC(C)(C)C)C1 ZINC000075567707 564089556 /nfs/dbraw/zinc/08/95/56/564089556.db2.gz LOTLEQJPZVJOQL-UHFFFAOYSA-N 1 2 332.419 3.500 50 0 EHAALO C[N@H+]1CCc2c(c3cc(F)ccc3n2CCC(=O)OC(C)(C)C)C1 ZINC000075567707 564089557 /nfs/dbraw/zinc/08/95/57/564089557.db2.gz LOTLEQJPZVJOQL-UHFFFAOYSA-N 1 2 332.419 3.500 50 0 EHAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000089570386 564092930 /nfs/dbraw/zinc/09/29/30/564092930.db2.gz PABXZITWXILAMF-ZDUSSCGKSA-N 1 2 347.846 3.684 50 0 EHAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000089570386 564092931 /nfs/dbraw/zinc/09/29/31/564092931.db2.gz PABXZITWXILAMF-ZDUSSCGKSA-N 1 2 347.846 3.684 50 0 EHAALO CC(=O)NCCCCCc1[nH+]c2ccccc2n1Cc1ccccc1 ZINC000006743442 564096851 /nfs/dbraw/zinc/09/68/51/564096851.db2.gz VUQISJYMYQXHMM-UHFFFAOYSA-N 1 2 335.451 3.934 50 0 EHAALO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000151247387 564099813 /nfs/dbraw/zinc/09/98/13/564099813.db2.gz HIPYZNFUCIWLFT-UHFFFAOYSA-N 1 2 345.752 3.718 50 0 EHAALO Cc1cccc(CC(=O)N2CCC(CCOc3cc[nH+]cc3)CC2)c1 ZINC000065181093 564102367 /nfs/dbraw/zinc/10/23/67/564102367.db2.gz LXMAZSYBLAHYNE-UHFFFAOYSA-N 1 2 338.451 3.640 50 0 EHAALO Fc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286080 564104371 /nfs/dbraw/zinc/10/43/71/564104371.db2.gz HQJWHDFVGIOJLY-QGZVFWFLSA-N 1 2 338.386 3.998 50 0 EHAALO Fc1cccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286080 564104372 /nfs/dbraw/zinc/10/43/72/564104372.db2.gz HQJWHDFVGIOJLY-QGZVFWFLSA-N 1 2 338.386 3.998 50 0 EHAALO Cc1oc2c(c1C(=O)N1CCCC1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000065291972 564104694 /nfs/dbraw/zinc/10/46/94/564104694.db2.gz HNNZSYQUDRVVOY-UHFFFAOYSA-N 1 2 342.414 3.521 50 0 EHAALO Cc1oc2c(c1C(=O)N1CCCC1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000065291972 564104695 /nfs/dbraw/zinc/10/46/95/564104695.db2.gz HNNZSYQUDRVVOY-UHFFFAOYSA-N 1 2 342.414 3.521 50 0 EHAALO COc1ccc2cc(C(=O)Nc3ccc4[nH+]c(C)cn4c3)c(C)nc2c1 ZINC000065490961 564106401 /nfs/dbraw/zinc/10/64/01/564106401.db2.gz TVHDRQSFNDXMJK-UHFFFAOYSA-N 1 2 346.390 3.760 50 0 EHAALO CCc1nc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cs1 ZINC000065492083 564106480 /nfs/dbraw/zinc/10/64/80/564106480.db2.gz AFLVDVSESFUXCY-ZDUSSCGKSA-N 1 2 329.469 3.683 50 0 EHAALO Cc1cccn2cc(CNC(=O)c3cc4c(ccc(C)c4C)[nH]3)[nH+]c12 ZINC000170629567 564110642 /nfs/dbraw/zinc/11/06/42/564110642.db2.gz DUMPJMBGZLLYQK-UHFFFAOYSA-N 1 2 332.407 3.671 50 0 EHAALO O=C(NCCSc1ccc(Cl)cc1)c1cccc2[nH+]ccn21 ZINC000089794126 564113855 /nfs/dbraw/zinc/11/38/55/564113855.db2.gz PWFFSYKMUHFAGY-UHFFFAOYSA-N 1 2 331.828 3.510 50 0 EHAALO Cc1csc(C[N@@H+](Cc2ccc(Cl)nc2)C[C@@H]2CCCO2)n1 ZINC000076006841 564114220 /nfs/dbraw/zinc/11/42/20/564114220.db2.gz MYLVKSQZMAEHEE-AWEZNQCLSA-N 1 2 337.876 3.681 50 0 EHAALO Cc1csc(C[N@H+](Cc2ccc(Cl)nc2)C[C@@H]2CCCO2)n1 ZINC000076006841 564114221 /nfs/dbraw/zinc/11/42/21/564114221.db2.gz MYLVKSQZMAEHEE-AWEZNQCLSA-N 1 2 337.876 3.681 50 0 EHAALO C[N@H+](Cc1cccc(Cl)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000013061699 564135943 /nfs/dbraw/zinc/13/59/43/564135943.db2.gz SXYIZERASDHEGA-UHFFFAOYSA-N 1 2 348.233 3.862 50 0 EHAALO C[N@@H+](Cc1cccc(Cl)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000013061699 564135944 /nfs/dbraw/zinc/13/59/44/564135944.db2.gz SXYIZERASDHEGA-UHFFFAOYSA-N 1 2 348.233 3.862 50 0 EHAALO c1[nH+]c2c(n1CCc1ccccc1)CCN(c1nc3ccccc3o1)C2 ZINC000095467526 564141086 /nfs/dbraw/zinc/14/10/86/564141086.db2.gz PHCHKSHIBCPXSO-UHFFFAOYSA-N 1 2 344.418 3.830 50 0 EHAALO CSc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCCCC3)cc1F ZINC000095967140 564143011 /nfs/dbraw/zinc/14/30/11/564143011.db2.gz OBUQLCQUZOCKEO-GFCCVEGCSA-N 1 2 334.464 3.716 50 0 EHAALO CC(C)c1cnc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)o1 ZINC000095984696 564143875 /nfs/dbraw/zinc/14/38/75/564143875.db2.gz AYHAHADHRFXIMB-CQSZACIVSA-N 1 2 327.428 3.776 50 0 EHAALO CC[C@@H]([NH2+]Cc1nnc(C)n1CC)c1ccccc1Br ZINC000095985889 564143938 /nfs/dbraw/zinc/14/39/38/564143938.db2.gz GUTLWIIZGZMXNT-CQSZACIVSA-N 1 2 337.265 3.610 50 0 EHAALO Fc1ccccc1C[NH2+][C@H]1CCCc2cn(CC(F)(F)F)nc21 ZINC000096002751 564144410 /nfs/dbraw/zinc/14/44/10/564144410.db2.gz MYMGUFPJJVBTFZ-AWEZNQCLSA-N 1 2 327.325 3.752 50 0 EHAALO O=C(NCCCn1cc[nH+]c1)Nc1ccc(COC2CCCC2)cc1 ZINC000096418122 564147895 /nfs/dbraw/zinc/14/78/95/564147895.db2.gz LWDVTWSKYJJMNX-UHFFFAOYSA-N 1 2 342.443 3.554 50 0 EHAALO Cc1[nH+]c2n(c1C)CCN(Cc1coc(-c3ccc(Cl)cc3)n1)C2 ZINC000097201164 564149531 /nfs/dbraw/zinc/14/95/31/564149531.db2.gz FTWOKEYPEWUWHO-UHFFFAOYSA-N 1 2 342.830 3.824 50 0 EHAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C1CCCC1 ZINC000003222566 564156192 /nfs/dbraw/zinc/15/61/92/564156192.db2.gz UYEPDTLIILYSED-UHFFFAOYSA-N 1 2 341.480 3.830 50 0 EHAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C1CCCC1 ZINC000003222566 564156193 /nfs/dbraw/zinc/15/61/93/564156193.db2.gz UYEPDTLIILYSED-UHFFFAOYSA-N 1 2 341.480 3.830 50 0 EHAALO O=C(/C=C/c1ccccc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000030540657 564156825 /nfs/dbraw/zinc/15/68/25/564156825.db2.gz KXUNQPAMTCCXOI-AATRIKPKSA-N 1 2 346.883 3.759 50 0 EHAALO COc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008128342 564162931 /nfs/dbraw/zinc/16/29/31/564162931.db2.gz BAQZDONNHMFIIC-NSHDSACASA-N 1 2 338.860 3.869 50 0 EHAALO COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008128342 564162932 /nfs/dbraw/zinc/16/29/32/564162932.db2.gz BAQZDONNHMFIIC-NSHDSACASA-N 1 2 338.860 3.869 50 0 EHAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1C1CCCC1 ZINC000066890231 564164587 /nfs/dbraw/zinc/16/45/87/564164587.db2.gz RZPOTUWLHAZAED-IBGZPJMESA-N 1 2 338.455 3.737 50 0 EHAALO Brc1ccc(C2([NH2+]Cc3noc(C4CC4)n3)CCC2)cc1 ZINC000069453044 564169608 /nfs/dbraw/zinc/16/96/08/564169608.db2.gz WBVCQEYZYCCMPD-UHFFFAOYSA-N 1 2 348.244 3.879 50 0 EHAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(F)cc3)n2)cn1 ZINC000069654166 564171175 /nfs/dbraw/zinc/17/11/75/564171175.db2.gz MJGNMNBZVXYOKM-QGZVFWFLSA-N 1 2 326.375 3.551 50 0 EHAALO Cn1cc([C@H]2CCC[N@H+]2Cc2coc(-c3ccc(F)cc3)n2)cn1 ZINC000069654166 564171176 /nfs/dbraw/zinc/17/11/76/564171176.db2.gz MJGNMNBZVXYOKM-QGZVFWFLSA-N 1 2 326.375 3.551 50 0 EHAALO Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069659461 564171258 /nfs/dbraw/zinc/17/12/58/564171258.db2.gz JSGHGXFMKXFVJV-ZDUSSCGKSA-N 1 2 327.359 3.554 50 0 EHAALO CCc1nnc([C@@H](C)N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)o1 ZINC000069664344 564171386 /nfs/dbraw/zinc/17/13/86/564171386.db2.gz PMIAIBNJZQABER-ZIAGYGMSSA-N 1 2 348.878 3.725 50 0 EHAALO CC(C)Cc1nnc([C@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)o1 ZINC000069968023 564172922 /nfs/dbraw/zinc/17/29/22/564172922.db2.gz UKFIPLBPUQSCOT-KXBFYZLASA-N 1 2 343.471 3.775 50 0 EHAALO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc(Cn2cccn2)cc1 ZINC000069971059 564172962 /nfs/dbraw/zinc/17/29/62/564172962.db2.gz LEXBFECGGQQHMF-UHFFFAOYSA-N 1 2 343.390 3.574 50 0 EHAALO Cc1noc(C(C)(C)[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)n1 ZINC000341258361 1024039103 /nfs/dbraw/zinc/03/91/03/1024039103.db2.gz WZJLMAPITRBGTR-UHFFFAOYSA-N 1 2 338.411 3.899 50 0 EHAALO Cc1csc(C[N@@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000093791684 1029668441 /nfs/dbraw/zinc/66/84/41/1029668441.db2.gz DQXKVVFOTCJZPU-KRWDZBQOSA-N 1 2 332.469 3.641 50 0 EHAALO Cc1csc(C[N@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000093791684 1029668449 /nfs/dbraw/zinc/66/84/49/1029668449.db2.gz DQXKVVFOTCJZPU-KRWDZBQOSA-N 1 2 332.469 3.641 50 0 EHAALO CCc1nc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)o2)sc1C ZINC000331377105 1040927935 /nfs/dbraw/zinc/92/79/35/1040927935.db2.gz CNMKSYBFCVFZLV-AWEZNQCLSA-N 1 2 333.457 3.691 50 0 EHAALO CCc1nc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(C)o2)sc1C ZINC000331377105 1040927959 /nfs/dbraw/zinc/92/79/59/1040927959.db2.gz CNMKSYBFCVFZLV-AWEZNQCLSA-N 1 2 333.457 3.691 50 0 EHAALO CCN(Cc1ccncc1)C1C[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000581776592 1132353147 /nfs/dbraw/zinc/35/31/47/1132353147.db2.gz UPDCCPJLLICROS-UHFFFAOYSA-N 1 2 349.400 3.807 50 0 EHAALO Fc1ccc(-c2noc(CSCCCn3cc[nH+]c3)n2)cc1F ZINC000585118063 1137008847 /nfs/dbraw/zinc/00/88/47/1137008847.db2.gz AIMAAWHDTMJWCN-UHFFFAOYSA-N 1 2 336.367 3.535 50 0 EHAALO FC(F)(F)CN1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000952972532 1137484194 /nfs/dbraw/zinc/48/41/94/1137484194.db2.gz VCTMEIXOONDNBF-UHFFFAOYSA-N 1 2 342.405 3.688 50 0 EHAALO Cc1ncsc1C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000053547435 214188193 /nfs/dbraw/zinc/18/81/93/214188193.db2.gz ZPLFSGCHCCKWEC-UHFFFAOYSA-N 1 2 338.436 3.904 50 0 EHAALO CCCCn1ncc(C)c1NC(=O)c1ccccc1-c1[nH+]ccn1C ZINC000055182885 214283965 /nfs/dbraw/zinc/28/39/65/214283965.db2.gz LQJWZZQKXZKIMJ-UHFFFAOYSA-N 1 2 337.427 3.644 50 0 EHAALO Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000055441193 214323455 /nfs/dbraw/zinc/32/34/55/214323455.db2.gz BSASZYICAZIMBK-KRWDZBQOSA-N 1 2 341.846 3.584 50 0 EHAALO Fc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000004354473 210179390 /nfs/dbraw/zinc/17/93/90/210179390.db2.gz XEPONDGECAGKMM-UHFFFAOYSA-N 1 2 337.333 3.706 50 0 EHAALO Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000004354478 210179129 /nfs/dbraw/zinc/17/91/29/210179129.db2.gz PSYQMVBUDVIWSW-UHFFFAOYSA-N 1 2 333.370 3.875 50 0 EHAALO CC(C)c1nccc(C[N@@H+]2CCc3nc[nH]c3[C@@H]2Cc2ccccc2)n1 ZINC000067843155 215229026 /nfs/dbraw/zinc/22/90/26/215229026.db2.gz TXHRUYFVOVFLPD-IBGZPJMESA-N 1 2 347.466 3.665 50 0 EHAALO CC(C)c1nccc(C[N@H+]2CCc3nc[nH]c3[C@@H]2Cc2ccccc2)n1 ZINC000067843155 215229029 /nfs/dbraw/zinc/22/90/29/215229029.db2.gz TXHRUYFVOVFLPD-IBGZPJMESA-N 1 2 347.466 3.665 50 0 EHAALO c1ccc(OC2CC[NH+](Cc3nnc(C4CC4)n3C3CC3)CC2)cc1 ZINC000181146911 234097511 /nfs/dbraw/zinc/09/75/11/234097511.db2.gz KZQUWTDHSWSWPC-UHFFFAOYSA-N 1 2 338.455 3.534 50 0 EHAALO C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccc(Cl)s1 ZINC000040145800 213272274 /nfs/dbraw/zinc/27/22/74/213272274.db2.gz QYSUZZSNOICDQA-NSHDSACASA-N 1 2 338.864 3.659 50 0 EHAALO Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069659464 215522128 /nfs/dbraw/zinc/52/21/28/215522128.db2.gz JSGHGXFMKXFVJV-CYBMUJFWSA-N 1 2 327.359 3.554 50 0 EHAALO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCc2ccccc2C1 ZINC000036247483 213079258 /nfs/dbraw/zinc/07/92/58/213079258.db2.gz DXBHKRPHTBOWDV-CYBMUJFWSA-N 1 2 337.448 3.682 50 0 EHAALO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCc2ccccc2C1 ZINC000036247483 213079254 /nfs/dbraw/zinc/07/92/54/213079254.db2.gz DXBHKRPHTBOWDV-CYBMUJFWSA-N 1 2 337.448 3.682 50 0 EHAALO Cc1cnn(CCC[N@@H+]2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000072150992 216039400 /nfs/dbraw/zinc/03/94/00/216039400.db2.gz HXUWWOFUZYGIHO-SFHVURJKSA-N 1 2 341.434 3.824 50 0 EHAALO Cc1cnn(CCC[N@H+]2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000072150992 216039403 /nfs/dbraw/zinc/03/94/03/216039403.db2.gz HXUWWOFUZYGIHO-SFHVURJKSA-N 1 2 341.434 3.824 50 0 EHAALO O=C(CSCc1ccccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072422847 216212120 /nfs/dbraw/zinc/21/21/20/216212120.db2.gz QTTVJKXJAVTOEG-UHFFFAOYSA-N 1 2 349.887 3.703 50 0 EHAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)[C@@H](C)c1ccncn1 ZINC000215781926 241146368 /nfs/dbraw/zinc/14/63/68/241146368.db2.gz GUOLDCNIIDDYHU-HNNXBMFYSA-N 1 2 339.418 3.611 50 0 EHAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)[C@@H](C)c1ccncn1 ZINC000215781926 241146376 /nfs/dbraw/zinc/14/63/76/241146376.db2.gz GUOLDCNIIDDYHU-HNNXBMFYSA-N 1 2 339.418 3.611 50 0 EHAALO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1nccs1)OCCCO2 ZINC000215995332 241156997 /nfs/dbraw/zinc/15/69/97/241156997.db2.gz GIUGIXMGZPZCGL-CQSZACIVSA-N 1 2 346.452 3.650 50 0 EHAALO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1nccs1)OCCCO2 ZINC000215995332 241157003 /nfs/dbraw/zinc/15/70/03/241157003.db2.gz GIUGIXMGZPZCGL-CQSZACIVSA-N 1 2 346.452 3.650 50 0 EHAALO Cc1cc2[nH+]cn(C[C@H](O)COCc3ccc(Cl)cc3)c2cc1C ZINC000021559656 212231956 /nfs/dbraw/zinc/23/19/56/212231956.db2.gz BMVGCJSHPHVKNH-KRWDZBQOSA-N 1 2 344.842 3.884 50 0 EHAALO C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000021134332 212209754 /nfs/dbraw/zinc/20/97/54/212209754.db2.gz SSHFORXDBQEFMR-UHFFFAOYSA-N 1 2 348.233 3.862 50 0 EHAALO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000021134332 212209758 /nfs/dbraw/zinc/20/97/58/212209758.db2.gz SSHFORXDBQEFMR-UHFFFAOYSA-N 1 2 348.233 3.862 50 0 EHAALO CCOc1ccccc1-c1nc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000020778370 212171528 /nfs/dbraw/zinc/17/15/28/212171528.db2.gz VHLLRDQWHJRXCM-OKILXGFUSA-N 1 2 330.428 3.658 50 0 EHAALO CCOc1ccccc1-c1nc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000020778370 212171530 /nfs/dbraw/zinc/17/15/30/212171530.db2.gz VHLLRDQWHJRXCM-OKILXGFUSA-N 1 2 330.428 3.658 50 0 EHAALO Cc1scc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1C ZINC000020343430 212121106 /nfs/dbraw/zinc/12/11/06/212121106.db2.gz DHXZSDWWKJBCOE-UHFFFAOYSA-N 1 2 348.899 3.976 50 0 EHAALO FC(F)(F)c1ccccc1N1C(=S)N=NC1C[NH+]1CCCCC1 ZINC000020267893 212115790 /nfs/dbraw/zinc/11/57/90/212115790.db2.gz UASOCGWCZBVPBB-UHFFFAOYSA-N 1 2 342.390 3.561 50 0 EHAALO C[C@H]1C[NH+](CCOc2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000020168376 212108589 /nfs/dbraw/zinc/10/85/89/212108589.db2.gz XVICSHBDGZJXDI-QWRGUYRKSA-N 1 2 348.668 3.591 50 0 EHAALO O=C(N[C@@H](Nc1cccc[nH+]1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000019792351 212068291 /nfs/dbraw/zinc/06/82/91/212068291.db2.gz PZMOFOSHQAISFK-CYBMUJFWSA-N 1 2 344.629 3.620 50 0 EHAALO COc1ccccc1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019781833 212065652 /nfs/dbraw/zinc/06/56/52/212065652.db2.gz AYUJSXPEEOWVIP-UHFFFAOYSA-N 1 2 330.859 3.666 50 0 EHAALO COc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000019537548 212040789 /nfs/dbraw/zinc/04/07/89/212040789.db2.gz KBIYVNQGBIBVCK-RMKNXTFCSA-N 1 2 336.479 3.835 50 0 EHAALO O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1C[NH+]1CCCCC1 ZINC000019201861 212004032 /nfs/dbraw/zinc/00/40/32/212004032.db2.gz JLZITXVGZHHAJS-GXDHUFHOSA-N 1 2 336.844 3.820 50 0 EHAALO O=C(CCCn1cc[nH+]c1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000079093460 217189987 /nfs/dbraw/zinc/18/99/87/217189987.db2.gz XKKKGTQMZZCAHH-AWEZNQCLSA-N 1 2 338.238 3.774 50 0 EHAALO O=C(c1cc(F)cc(F)c1)c1ccccc1C[NH+]1CCSCC1 ZINC000085651705 217680865 /nfs/dbraw/zinc/68/08/65/217680865.db2.gz DBGFEFOAQBYPNW-UHFFFAOYSA-N 1 2 333.403 3.745 50 0 EHAALO O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1CCc1cccs1 ZINC000091646060 218039861 /nfs/dbraw/zinc/03/98/61/218039861.db2.gz XKVVSWDERONMJL-MRXNPFEDSA-N 1 2 331.485 3.739 50 0 EHAALO Cn1ncc2c1nc[nH+]c2SCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000011678657 211233804 /nfs/dbraw/zinc/23/38/04/211233804.db2.gz IBFSJDUAVSUFCJ-UHFFFAOYSA-N 1 2 340.452 3.636 50 0 EHAALO CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000009446000 211084659 /nfs/dbraw/zinc/08/46/59/211084659.db2.gz FTADHHGRLFYGQH-LLVKDONJSA-N 1 2 332.391 3.621 50 0 EHAALO CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000009446000 211084665 /nfs/dbraw/zinc/08/46/65/211084665.db2.gz FTADHHGRLFYGQH-LLVKDONJSA-N 1 2 332.391 3.621 50 0 EHAALO Cc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c1 ZINC000009338043 211070720 /nfs/dbraw/zinc/07/07/20/211070720.db2.gz MCFPWHHQSYLZJU-QGZVFWFLSA-N 1 2 338.386 3.779 50 0 EHAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccccc2F)C1 ZINC000095377251 218309766 /nfs/dbraw/zinc/30/97/66/218309766.db2.gz HFHRJSQKELBTAG-INIZCTEOSA-N 1 2 344.434 3.692 50 0 EHAALO O=C(c1ccnc(NC2CCCC2)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000095405201 218340066 /nfs/dbraw/zinc/34/00/66/218340066.db2.gz PTPUGALXNIHTFR-INIZCTEOSA-N 1 2 339.443 3.527 50 0 EHAALO CC(C)C(=O)N(Cc1ccco1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000006696823 210681199 /nfs/dbraw/zinc/68/11/99/210681199.db2.gz YMHBCPYQEKEXCS-UHFFFAOYSA-N 1 2 337.423 3.709 50 0 EHAALO c1cc(Oc2ccccc2)oc1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000097236036 219002218 /nfs/dbraw/zinc/00/22/18/219002218.db2.gz QMNBYCCEGTXAMF-UHFFFAOYSA-N 1 2 338.411 3.680 50 0 EHAALO O=C(c1ccc2cc[nH]c2c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000097513690 219031828 /nfs/dbraw/zinc/03/18/28/219031828.db2.gz DWJVMQSUGZJAQW-DAXSKMNVSA-N 1 2 345.446 3.639 50 0 EHAALO CCOc1ccc(-c2cn(CC(=O)c3ccc(C)cc3)c(=[NH2+])n2C)cc1 ZINC000334157537 258004928 /nfs/dbraw/zinc/00/49/28/258004928.db2.gz IGGCBQQRMBDUGM-UHFFFAOYSA-N 1 2 349.434 3.563 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cccc2oc(C)nc21 ZINC000281300437 258013356 /nfs/dbraw/zinc/01/33/56/258013356.db2.gz ARMOGQBLABGBGL-HNNXBMFYSA-N 1 2 338.411 3.720 50 0 EHAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000035540596 132390410 /nfs/dbraw/zinc/39/04/10/132390410.db2.gz ONRYUGBAJXKLIB-UHFFFAOYSA-N 1 2 348.368 3.710 50 0 EHAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(Cl)c(F)c1)C2 ZINC000154227111 528325820 /nfs/dbraw/zinc/32/58/20/528325820.db2.gz RHEQHQDUSKVURQ-UHFFFAOYSA-N 1 2 335.810 3.535 50 0 EHAALO CC(C)n1cc[nH+]c1CN1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187877253 528606479 /nfs/dbraw/zinc/60/64/79/528606479.db2.gz AMJCBWQSNHALLO-MRXNPFEDSA-N 1 2 337.826 3.830 50 0 EHAALO FC(F)(F)[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000016695355 563820928 /nfs/dbraw/zinc/82/09/28/563820928.db2.gz YNNSKGNPGYHFOT-LBPRGKRZSA-N 1 2 335.753 3.981 50 0 EHAALO FC(F)(F)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000016695355 563820931 /nfs/dbraw/zinc/82/09/31/563820931.db2.gz YNNSKGNPGYHFOT-LBPRGKRZSA-N 1 2 335.753 3.981 50 0 EHAALO COc1ccc(OC[C@H]2C[NH+]=C(Nc3ccc(C)cc3)S2)cc1 ZINC000000152703 563246647 /nfs/dbraw/zinc/24/66/47/563246647.db2.gz INIZUOYVQYPTSN-QGZVFWFLSA-N 1 2 328.437 3.966 50 0 EHAALO CCOC(=O)c1c(C)nn(-c2cc[nH+]c3cc(Cl)ccc32)c1C ZINC000001406476 563387736 /nfs/dbraw/zinc/38/77/36/563387736.db2.gz MDFGTHLKURMIBS-UHFFFAOYSA-N 1 2 329.787 3.867 50 0 EHAALO CCc1nc(-c2ccc(C(=O)NC[C@H](C)n3cc[nH+]c3)cc2)ccc1C ZINC000584902199 563417575 /nfs/dbraw/zinc/41/75/75/563417575.db2.gz WZBHHJUZVBMMJW-INIZCTEOSA-N 1 2 348.450 3.807 50 0 EHAALO COc1c(C)c[nH+]c(CSc2nnc(-c3ccoc3C)n2C)c1C ZINC000071905461 563562664 /nfs/dbraw/zinc/56/26/64/563562664.db2.gz BSDROHWNJIQLAO-UHFFFAOYSA-N 1 2 344.440 3.696 50 0 EHAALO C[C@H](C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F)n1cc[nH+]c1 ZINC000071921781 563627187 /nfs/dbraw/zinc/62/71/87/563627187.db2.gz LVTVTMMREMPKGY-BXKDBHETSA-N 1 2 331.725 3.517 50 0 EHAALO Cc1c(C)n(-c2cc(C)ccn2)c2nc[nH+]c(NCc3cccnc3)c12 ZINC000013687874 563711033 /nfs/dbraw/zinc/71/10/33/563711033.db2.gz YAIZWHBHHUFFQX-UHFFFAOYSA-N 1 2 344.422 3.748 50 0 EHAALO O=C(C1CC1)N1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000014109123 563741243 /nfs/dbraw/zinc/74/12/43/563741243.db2.gz FEOAGMVJPBVKJJ-UHFFFAOYSA-N 1 2 336.435 3.533 50 0 EHAALO C[N@H+](Cc1cc(=O)n2ccccc2n1)Cc1ccc(Cl)cc1Cl ZINC000015451717 563784672 /nfs/dbraw/zinc/78/46/72/563784672.db2.gz YAANNHJUJYXGLH-UHFFFAOYSA-N 1 2 348.233 3.633 50 0 EHAALO C[N@@H+](Cc1cc(=O)n2ccccc2n1)Cc1ccc(Cl)cc1Cl ZINC000015451717 563784675 /nfs/dbraw/zinc/78/46/75/563784675.db2.gz YAANNHJUJYXGLH-UHFFFAOYSA-N 1 2 348.233 3.633 50 0 EHAALO Cc1ccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2C2CC2)c(C)c1 ZINC000016903735 563825565 /nfs/dbraw/zinc/82/55/65/563825565.db2.gz OLJJPTPADNOTJG-KRWDZBQOSA-N 1 2 336.435 3.970 50 0 EHAALO Cc1cccc(-c2cccc(N3CCC([NH2+]Cc4ncn[nH]4)CC3)c2)c1 ZINC000020601215 563859778 /nfs/dbraw/zinc/85/97/78/563859778.db2.gz GYXDBEFXBUZLCO-UHFFFAOYSA-N 1 2 347.466 3.539 50 0 EHAALO O=c1[nH]c(C[N@@H+]2CCC[C@@H]2c2ccccc2)nc2cc(Cl)ccc21 ZINC000024014408 563868237 /nfs/dbraw/zinc/86/82/37/563868237.db2.gz SWXUFZDJDFARDJ-QGZVFWFLSA-N 1 2 339.826 3.914 50 0 EHAALO O=c1[nH]c(C[N@H+]2CCC[C@@H]2c2ccccc2)nc2cc(Cl)ccc21 ZINC000024014408 563868238 /nfs/dbraw/zinc/86/82/38/563868238.db2.gz SWXUFZDJDFARDJ-QGZVFWFLSA-N 1 2 339.826 3.914 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000024830538 563876288 /nfs/dbraw/zinc/87/62/88/563876288.db2.gz LSYUFNWPQXXTPC-MRXNPFEDSA-N 1 2 342.349 3.609 50 0 EHAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C1(c2cccc(Cl)c2)CC1 ZINC000025012275 563879630 /nfs/dbraw/zinc/87/96/30/563879630.db2.gz GLBCLTQOZBCVBB-UHFFFAOYSA-N 1 2 338.798 3.591 50 0 EHAALO Cc1c(C(=O)Nc2ccc(-c3cn4cccc(C)c4[nH+]3)cc2)cnn1C ZINC000069971118 563892511 /nfs/dbraw/zinc/89/25/11/563892511.db2.gz LBZUZOTYSSEHQB-UHFFFAOYSA-N 1 2 345.406 3.604 50 0 EHAALO CCC[NH+](CCC)Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000027271749 563895095 /nfs/dbraw/zinc/89/50/95/563895095.db2.gz WKLLKVIECMAQPH-UHFFFAOYSA-N 1 2 336.436 3.552 50 0 EHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(C(C)(C)C)o2)c(OC)c1 ZINC000027224248 563895116 /nfs/dbraw/zinc/89/51/16/563895116.db2.gz FRCJBTDUDPLTRP-HNNXBMFYSA-N 1 2 345.443 3.721 50 0 EHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(C(C)(C)C)o2)c(OC)c1 ZINC000027224248 563895119 /nfs/dbraw/zinc/89/51/19/563895119.db2.gz FRCJBTDUDPLTRP-HNNXBMFYSA-N 1 2 345.443 3.721 50 0 EHAALO O=C(CCC1CCCCC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000028695051 563903951 /nfs/dbraw/zinc/90/39/51/563903951.db2.gz HCBQFJCVMIXZER-UHFFFAOYSA-N 1 2 325.456 3.908 50 0 EHAALO C[C@@H]1c2cccn2CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)cc1 ZINC000072284745 563906342 /nfs/dbraw/zinc/90/63/42/563906342.db2.gz WDDRSAKHCKKSRD-OAHLLOKOSA-N 1 2 333.391 3.892 50 0 EHAALO O=C(CCCc1c[nH]c2ccccc12)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000058146452 563937740 /nfs/dbraw/zinc/93/77/40/563937740.db2.gz ABRAAENGISXVPD-SFHVURJKSA-N 1 2 336.439 3.968 50 0 EHAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCCOc2ccccc2)o1 ZINC000058433512 563946368 /nfs/dbraw/zinc/94/63/68/563946368.db2.gz BHMWXKSMUKFDRO-FQEVSTJZSA-N 1 2 349.434 3.947 50 0 EHAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCCOc2ccccc2)o1 ZINC000058433512 563946369 /nfs/dbraw/zinc/94/63/69/563946369.db2.gz BHMWXKSMUKFDRO-FQEVSTJZSA-N 1 2 349.434 3.947 50 0 EHAALO O=C(CCCc1ccccc1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000060225042 563949734 /nfs/dbraw/zinc/94/97/34/563949734.db2.gz XSVSEAWGRZRNFT-IBGZPJMESA-N 1 2 325.456 3.677 50 0 EHAALO Cn1cc[nH+]c1-c1ccccc1-c1n[nH]c(CCc2ccccc2)n1 ZINC000065373157 563958619 /nfs/dbraw/zinc/95/86/19/563958619.db2.gz DPTMFPLOEQBPLE-UHFFFAOYSA-N 1 2 329.407 3.657 50 0 EHAALO CCC1=NO[C@H](Cn2cnc(-c3ccccc3)c2-c2c[nH+]cn2CC)C1 ZINC000065403526 563959960 /nfs/dbraw/zinc/95/99/60/563959960.db2.gz KDLVNOKFGNCEJW-KRWDZBQOSA-N 1 2 349.438 3.988 50 0 EHAALO Cc1[nH+]ccn1-c1ccc(NC(=O)c2c(O)cc(F)cc2F)cc1F ZINC000060457419 563963582 /nfs/dbraw/zinc/96/35/82/563963582.db2.gz ZMRFXXLPXBVDBA-UHFFFAOYSA-N 1 2 347.296 3.556 50 0 EHAALO CCC(=O)N1CCC(Nc2cccc([NH+]3CCCCCC3)c2)CC1 ZINC000097020088 563966770 /nfs/dbraw/zinc/96/67/70/563966770.db2.gz KLMODPJXGTVZOU-UHFFFAOYSA-N 1 2 329.488 3.880 50 0 EHAALO CC[NH+](CC)Cc1ccccc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000097140384 563968277 /nfs/dbraw/zinc/96/82/77/563968277.db2.gz QFZGFXQHCSWGGK-UHFFFAOYSA-N 1 2 334.366 3.765 50 0 EHAALO CC(C)Cn1c[nH+]cc1CNC(=O)CCCc1ccc(Cl)cc1 ZINC000077388123 563969321 /nfs/dbraw/zinc/96/93/21/563969321.db2.gz HMZGOAQKNADTDF-UHFFFAOYSA-N 1 2 333.863 3.832 50 0 EHAALO COc1ccccc1C1CCN(C(=O)c2ccc3[nH+]c(C)cn3c2)CC1 ZINC000082086563 563971993 /nfs/dbraw/zinc/97/19/93/563971993.db2.gz HZHLWGASSRXFLM-UHFFFAOYSA-N 1 2 349.434 3.671 50 0 EHAALO Cc1nc([C@H](C)N(C)C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)c(C)s1 ZINC000082138950 563972669 /nfs/dbraw/zinc/97/26/69/563972669.db2.gz YLENHZVEGCAAQP-NSHDSACASA-N 1 2 340.452 3.983 50 0 EHAALO CC[C@@H](NC(=O)c1ccc2[nH+]c(C)cn2c1)c1nc(C)c(C)s1 ZINC000082157243 563972807 /nfs/dbraw/zinc/97/28/07/563972807.db2.gz DDTFARHXCVQWKO-CQSZACIVSA-N 1 2 328.441 3.597 50 0 EHAALO CCc1ccc(NC(=O)NCc2cc[nH+]c(N(CC)CC)c2)cc1 ZINC000033280240 563972898 /nfs/dbraw/zinc/97/28/98/563972898.db2.gz MDVSBHLWOBMVTJ-UHFFFAOYSA-N 1 2 326.444 3.812 50 0 EHAALO O=C(/C=C/c1ccccc1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095509844 563977226 /nfs/dbraw/zinc/97/72/26/563977226.db2.gz FGLZRVLVERLSKA-VYENPZKTSA-N 1 2 335.451 3.713 50 0 EHAALO O=C(c1ccc(F)cc1)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095521126 563977405 /nfs/dbraw/zinc/97/74/05/563977405.db2.gz BQXUKKYGERSVER-QGZVFWFLSA-N 1 2 341.430 3.842 50 0 EHAALO Cc1ncsc1C[N@@H+]1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1 ZINC000097179412 563981324 /nfs/dbraw/zinc/98/13/24/563981324.db2.gz FLNHTJSXUBWCBN-UHFFFAOYSA-N 1 2 346.406 3.678 50 0 EHAALO Cc1ncsc1C[N@H+]1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1 ZINC000097179412 563981325 /nfs/dbraw/zinc/98/13/25/563981325.db2.gz FLNHTJSXUBWCBN-UHFFFAOYSA-N 1 2 346.406 3.678 50 0 EHAALO CCC(=O)N(Cc1[nH]cc[nH+]1)c1ccc(Br)c(Cl)c1 ZINC000408515724 563993019 /nfs/dbraw/zinc/99/30/19/563993019.db2.gz UXMPBACNWXSUDD-UHFFFAOYSA-N 1 2 342.624 3.769 50 0 EHAALO CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)C1(C)C ZINC000108984517 564028593 /nfs/dbraw/zinc/02/85/93/564028593.db2.gz LDGRAMYFABEGLG-FGTMMUONSA-N 1 2 337.467 3.864 50 0 EHAALO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000048224431 564030230 /nfs/dbraw/zinc/03/02/30/564030230.db2.gz BSCOMRPAFLGUHQ-AWEZNQCLSA-N 1 2 346.390 3.847 50 0 EHAALO Cc1[nH]c2ccc(CNC(=O)c3cc(F)c(F)cc3Cl)cc2[nH+]1 ZINC000221349651 564036159 /nfs/dbraw/zinc/03/61/59/564036159.db2.gz MTTSKZRZCFSYIU-UHFFFAOYSA-N 1 2 335.741 3.733 50 0 EHAALO Cc1[nH]c2cc(CNC(=O)c3cc(F)c(F)cc3Cl)ccc2[nH+]1 ZINC000221349651 564036160 /nfs/dbraw/zinc/03/61/60/564036160.db2.gz MTTSKZRZCFSYIU-UHFFFAOYSA-N 1 2 335.741 3.733 50 0 EHAALO CCC[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1[nH+]ccn1C ZINC000223307705 564039537 /nfs/dbraw/zinc/03/95/37/564039537.db2.gz VWMNFLLHFXBWDB-CQSZACIVSA-N 1 2 339.361 3.639 50 0 EHAALO COc1ccc(C[N@H+](Cc2noc(C)n2)C2CCCCC2)c(OC)c1 ZINC000240971722 564051834 /nfs/dbraw/zinc/05/18/34/564051834.db2.gz UBVCXFIXSKGKMQ-UHFFFAOYSA-N 1 2 345.443 3.730 50 0 EHAALO COc1ccc(C[N@@H+](Cc2noc(C)n2)C2CCCCC2)c(OC)c1 ZINC000240971722 564051835 /nfs/dbraw/zinc/05/18/35/564051835.db2.gz UBVCXFIXSKGKMQ-UHFFFAOYSA-N 1 2 345.443 3.730 50 0 EHAALO O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CNc1cccc[nH+]1 ZINC000034839750 564056935 /nfs/dbraw/zinc/05/69/35/564056935.db2.gz COBBKVDVQDGYJK-LCYFTJDESA-N 1 2 345.811 3.841 50 0 EHAALO Cn1cc[nH+]c1[C@H](Nc1ncnc2sccc21)c1ccccc1F ZINC000012539469 564058537 /nfs/dbraw/zinc/05/85/37/564058537.db2.gz LZAUMTRICGTLTH-CQSZACIVSA-N 1 2 339.399 3.765 50 0 EHAALO Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000012550588 564059134 /nfs/dbraw/zinc/05/91/34/564059134.db2.gz LDVIQXRELBUGOC-KRWDZBQOSA-N 1 2 349.434 3.745 50 0 EHAALO Cc1cccc(OCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000012550700 564059162 /nfs/dbraw/zinc/05/91/62/564059162.db2.gz UHYJVKWFMIDODE-QGZVFWFLSA-N 1 2 349.434 3.745 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000012579741 564060046 /nfs/dbraw/zinc/06/00/46/564060046.db2.gz IGEDXSLZRXZGRW-INIZCTEOSA-N 1 2 340.814 3.985 50 0 EHAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012620777 564060917 /nfs/dbraw/zinc/06/09/17/564060917.db2.gz UPSNPDIGMOVOSN-BBWFWOEESA-N 1 2 338.451 3.790 50 0 EHAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012620777 564060918 /nfs/dbraw/zinc/06/09/18/564060918.db2.gz UPSNPDIGMOVOSN-BBWFWOEESA-N 1 2 338.451 3.790 50 0 EHAALO Cc1occc1C(=O)N1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000084041806 564065904 /nfs/dbraw/zinc/06/59/04/564065904.db2.gz DFUIXNRVFSXAAD-SFHVURJKSA-N 1 2 344.842 3.687 50 0 EHAALO C[N@H+](Cc1ccccc1Cl)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000012778234 564069674 /nfs/dbraw/zinc/06/96/74/564069674.db2.gz XVHQOSNBCNTTCW-SFHVURJKSA-N 1 2 328.843 3.792 50 0 EHAALO C[N@@H+](Cc1ccccc1Cl)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000012778234 564069675 /nfs/dbraw/zinc/06/96/75/564069675.db2.gz XVHQOSNBCNTTCW-SFHVURJKSA-N 1 2 328.843 3.792 50 0 EHAALO CC[N@H+](Cc1nnc(C)n1C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000084777610 564070140 /nfs/dbraw/zinc/07/01/40/564070140.db2.gz VRTQFSJRMSMULO-HXUWFJFHSA-N 1 2 338.430 3.874 50 0 EHAALO CC[N@@H+](Cc1nnc(C)n1C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000084777610 564070141 /nfs/dbraw/zinc/07/01/41/564070141.db2.gz VRTQFSJRMSMULO-HXUWFJFHSA-N 1 2 338.430 3.874 50 0 EHAALO O=C(Nc1cccc(-n2cccc2)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000088379910 564079071 /nfs/dbraw/zinc/07/90/71/564079071.db2.gz XXASVIXSYUNAHS-QGZVFWFLSA-N 1 2 335.411 3.960 50 0 EHAALO CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCCn2cc[nH+]c2)o1 ZINC000089286593 564089192 /nfs/dbraw/zinc/08/91/92/564089192.db2.gz AEEKSRVODCIVEU-WBVHZDCISA-N 1 2 329.444 3.819 50 0 EHAALO Fc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000065286086 564104413 /nfs/dbraw/zinc/10/44/13/564104413.db2.gz LCWADKSLFKPSCK-QGZVFWFLSA-N 1 2 338.386 3.998 50 0 EHAALO Fc1ccccc1C[N@H+]1CCCC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000065286086 564104414 /nfs/dbraw/zinc/10/44/14/564104414.db2.gz LCWADKSLFKPSCK-QGZVFWFLSA-N 1 2 338.386 3.998 50 0 EHAALO CC(=O)c1ccc(N2CC[NH+](Cc3cc(F)ccc3C)CC2)c(F)c1 ZINC000170592994 564108949 /nfs/dbraw/zinc/10/89/49/564108949.db2.gz WJRBXUWNVJXNPD-UHFFFAOYSA-N 1 2 344.405 3.798 50 0 EHAALO Clc1cc2c(nc[nH+]c2N2CCC[C@@H]2c2ccc3c(c2)OCO3)[nH]1 ZINC000089800412 564113939 /nfs/dbraw/zinc/11/39/39/564113939.db2.gz AJFVTNGYKCRZBF-GFCCVEGCSA-N 1 2 342.786 3.682 50 0 EHAALO O=C(N[C@@H]1CCSc2ccccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000390835549 564139053 /nfs/dbraw/zinc/13/90/53/564139053.db2.gz QKDYDKPYPOLMPL-OAHLLOKOSA-N 1 2 342.468 3.536 50 0 EHAALO O=C(N[C@@H]1CCSc2ccccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000390835549 564139054 /nfs/dbraw/zinc/13/90/54/564139054.db2.gz QKDYDKPYPOLMPL-OAHLLOKOSA-N 1 2 342.468 3.536 50 0 EHAALO COc1cc(C[NH2+]C2(c3noc(C(C)C)n3)CCCC2)ccc1F ZINC000095437364 564140450 /nfs/dbraw/zinc/14/04/50/564140450.db2.gz QMHJEGGPAPKGFT-UHFFFAOYSA-N 1 2 333.407 3.900 50 0 EHAALO CSc1ccccc1C[C@@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000095940863 564142028 /nfs/dbraw/zinc/14/20/28/564142028.db2.gz ZXMLMVWPHIDOSR-KDOFPFPSSA-N 1 2 338.480 3.837 50 0 EHAALO CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000096005742 564144519 /nfs/dbraw/zinc/14/45/19/564144519.db2.gz HEHXRZMODHDBSW-HNNXBMFYSA-N 1 2 346.475 3.580 50 0 EHAALO CCc1c(C)[nH+]c2ccccc2c1NC(=O)c1ccnc(Cl)c1 ZINC000096006629 564144546 /nfs/dbraw/zinc/14/45/46/564144546.db2.gz SVYYZHUAKYASTF-UHFFFAOYSA-N 1 2 325.799 3.828 50 0 EHAALO Cc1csc(Cn2cc[nH+]c2-c2cncc(Br)c2)n1 ZINC000096009640 564144679 /nfs/dbraw/zinc/14/46/79/564144679.db2.gz YMUFDTSFRHGURR-UHFFFAOYSA-N 1 2 335.230 3.521 50 0 EHAALO COC[C@H]([NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccc(C)o1 ZINC000096478914 564148519 /nfs/dbraw/zinc/14/85/19/564148519.db2.gz JGOHZPFNULTCQW-DYVFJYSZSA-N 1 2 346.427 3.593 50 0 EHAALO Cc1cccc2[nH+]c(CSCc3ccc(C(=O)N(C)C)cc3)cn21 ZINC000097083821 564149352 /nfs/dbraw/zinc/14/93/52/564149352.db2.gz PKABXRJTKYGYIU-UHFFFAOYSA-N 1 2 339.464 3.778 50 0 EHAALO Cc1ccn2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)[nH+]c2c1 ZINC000002960760 564153793 /nfs/dbraw/zinc/15/37/93/564153793.db2.gz ZCNDEYIYLZUECV-UHFFFAOYSA-N 1 2 333.313 3.592 50 0 EHAALO Cc1cccc(OCCCCC(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000057429784 564154296 /nfs/dbraw/zinc/15/42/96/564154296.db2.gz TWYUANQDXZGCRZ-UHFFFAOYSA-N 1 2 337.423 3.508 50 0 EHAALO CC[C@@H](NC(=O)CC1=CSC2=[NH+]CCCN12)c1ccc(C)cc1 ZINC000670455127 564159825 /nfs/dbraw/zinc/15/98/25/564159825.db2.gz MVGJSEPQUUMJRB-MRXNPFEDSA-N 1 2 329.469 3.602 50 0 EHAALO CCCCc1nc(Cl)c(C[N@@H+]2CCC[C@H](c3ccncn3)C2)[nH]1 ZINC000670462311 564161216 /nfs/dbraw/zinc/16/12/16/564161216.db2.gz YHYITAMSHNSRMJ-ZDUSSCGKSA-N 1 2 333.867 3.575 50 0 EHAALO CCCCc1nc(Cl)c(C[N@H+]2CCC[C@H](c3ccncn3)C2)[nH]1 ZINC000670462311 564161217 /nfs/dbraw/zinc/16/12/17/564161217.db2.gz YHYITAMSHNSRMJ-ZDUSSCGKSA-N 1 2 333.867 3.575 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2[nH+]cc3ccccn32)c1C ZINC000008705710 564166476 /nfs/dbraw/zinc/16/64/76/564166476.db2.gz YOTFQQJWNUHYLC-CYBMUJFWSA-N 1 2 341.436 3.845 50 0 EHAALO COc1cc(C(C)=O)ccc1OCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000008707790 564166544 /nfs/dbraw/zinc/16/65/44/564166544.db2.gz BQHMXXJPUNQBOV-UHFFFAOYSA-N 1 2 338.407 3.943 50 0 EHAALO CCOc1cc(C[N@H+](C)Cc2cscn2)ccc1OC(F)F ZINC000069442623 564169536 /nfs/dbraw/zinc/16/95/36/564169536.db2.gz WYZLZSULNZDCOI-UHFFFAOYSA-N 1 2 328.384 3.775 50 0 EHAALO CCOc1cc(C[N@@H+](C)Cc2cscn2)ccc1OC(F)F ZINC000069442623 564169537 /nfs/dbraw/zinc/16/95/37/564169537.db2.gz WYZLZSULNZDCOI-UHFFFAOYSA-N 1 2 328.384 3.775 50 0 EHAALO O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000069536262 564170315 /nfs/dbraw/zinc/17/03/15/564170315.db2.gz MPNWNAZRLSXMIG-OAHLLOKOSA-N 1 2 340.452 3.637 50 0 EHAALO O=C(c1cc(Cl)sc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069659925 564171267 /nfs/dbraw/zinc/17/12/67/564171267.db2.gz LPIXTQGDBDMLHZ-SECBINFHSA-N 1 2 330.240 3.729 50 0 EHAALO C[C@H]1CCc2sc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2C1 ZINC000069661901 564171305 /nfs/dbraw/zinc/17/13/05/564171305.db2.gz QAOYJRWAZPQTAM-ZFWWWQNUSA-N 1 2 329.469 3.547 50 0 EHAALO O=C(c1cccnc1Oc1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069662087 564171324 /nfs/dbraw/zinc/17/13/24/564171324.db2.gz VDDVVMRPCIEYIQ-MRXNPFEDSA-N 1 2 348.406 3.548 50 0 EHAALO Cc1occc1-c1nnc(SCCc2[nH+]c3ccccc3n2C)o1 ZINC000069667569 564171423 /nfs/dbraw/zinc/17/14/23/564171423.db2.gz RHRPFZPKLISEBX-UHFFFAOYSA-N 1 2 340.408 3.860 50 0 EHAALO Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)c(F)c1 ZINC000069737261 564171767 /nfs/dbraw/zinc/17/17/67/564171767.db2.gz VDADWGKFGUBXTQ-GOSISDBHSA-N 1 2 327.403 3.522 50 0 EHAALO Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)c(F)c1 ZINC000069737261 564171768 /nfs/dbraw/zinc/17/17/68/564171768.db2.gz VDADWGKFGUBXTQ-GOSISDBHSA-N 1 2 327.403 3.522 50 0 EHAALO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000069775735 564172123 /nfs/dbraw/zinc/17/21/23/564172123.db2.gz QCGMFTOFNXLODR-GOSISDBHSA-N 1 2 348.406 3.577 50 0 EHAALO CC(C)[N@H+](Cc1cnn(C)c1)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000069774835 564172144 /nfs/dbraw/zinc/17/21/44/564172144.db2.gz QDTGHSVKKMSJRZ-UHFFFAOYSA-N 1 2 345.834 3.534 50 0 EHAALO CC(C)[N@@H+](Cc1cnn(C)c1)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000069774835 564172145 /nfs/dbraw/zinc/17/21/45/564172145.db2.gz QDTGHSVKKMSJRZ-UHFFFAOYSA-N 1 2 345.834 3.534 50 0 EHAALO O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069900964 564172766 /nfs/dbraw/zinc/17/27/66/564172766.db2.gz DDAFLQVUCWNFMS-GFCCVEGCSA-N 1 2 344.465 3.545 50 0 EHAALO Cc1ccn2cc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH+]c2c1 ZINC000002960758 568418967 /nfs/dbraw/zinc/41/89/67/568418967.db2.gz QJDVFHAWYIXQII-UHFFFAOYSA-N 1 2 333.313 3.592 50 0 EHAALO Cc1c[nH+]c([C@H]2CCN(C(=O)Nc3ccccc3F)C2)n1C(C)C ZINC000169788008 1032651332 /nfs/dbraw/zinc/65/13/32/1032651332.db2.gz SPTJGSYSBPPOIU-AWEZNQCLSA-N 1 2 330.407 3.933 50 0 EHAALO Fc1ccccc1COc1ccc(C[N@@H+]2CCOC3(CCC3)C2)cn1 ZINC000187381612 1037313342 /nfs/dbraw/zinc/31/33/42/1037313342.db2.gz BMFOICMUEVYXEH-UHFFFAOYSA-N 1 2 342.414 3.555 50 0 EHAALO Fc1ccccc1COc1ccc(C[N@H+]2CCOC3(CCC3)C2)cn1 ZINC000187381612 1037313364 /nfs/dbraw/zinc/31/33/64/1037313364.db2.gz BMFOICMUEVYXEH-UHFFFAOYSA-N 1 2 342.414 3.555 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1CCNC(=O)NCc1ccc(C)cc1 ZINC000581812981 1132366411 /nfs/dbraw/zinc/36/64/11/1132366411.db2.gz BUHLUSALVBTLKQ-UHFFFAOYSA-N 1 2 348.450 3.666 50 0 EHAALO Cc1nc(-c2ccc(C(=O)N[C@H]3CCCc4[nH+]c[nH]c43)cc2)cs1 ZINC000585122567 1137011834 /nfs/dbraw/zinc/01/18/34/1137011834.db2.gz BBNNFOQMEUYFBI-HNNXBMFYSA-N 1 2 338.436 3.649 50 0 EHAALO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000065497876 1137217623 /nfs/dbraw/zinc/21/76/23/1137217623.db2.gz QTONDIGWCRCYOZ-LJQANCHMSA-N 1 2 334.423 3.613 50 0 EHAALO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000065497876 1137217624 /nfs/dbraw/zinc/21/76/24/1137217624.db2.gz QTONDIGWCRCYOZ-LJQANCHMSA-N 1 2 334.423 3.613 50 0 EHAALO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NCc1cccc(O)c1Cl ZINC000952982972 1137485259 /nfs/dbraw/zinc/48/52/59/1137485259.db2.gz NHZMNGWEHWAMMG-AWEZNQCLSA-N 1 2 330.859 3.582 50 0 EHAALO C[C@@H](C[N@H+]1CCc2ccccc2C1)NCc1cccc(O)c1Cl ZINC000952982972 1137485260 /nfs/dbraw/zinc/48/52/60/1137485260.db2.gz NHZMNGWEHWAMMG-AWEZNQCLSA-N 1 2 330.859 3.582 50 0 EHAALO Cc1cc(C)c(-n2cccn2)c(C[NH2+][C@H](C)c2nc(C(C)C)no2)c1 ZINC000952987428 1137485539 /nfs/dbraw/zinc/48/55/39/1137485539.db2.gz HUNMGBOBKGRUDA-OAHLLOKOSA-N 1 2 339.443 3.846 50 0 EHAALO COc1c(C)c[nH+]c(CNC(=O)c2cc3cc(C)ccc3nc2C)c1C ZINC000050448724 214057240 /nfs/dbraw/zinc/05/72/40/214057240.db2.gz GMUZLTYJTJSOBT-UHFFFAOYSA-N 1 2 349.434 3.802 50 0 EHAALO O=C(CCc1ccccc1F)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224629 214224626 /nfs/dbraw/zinc/22/46/26/214224626.db2.gz UFSJGJNVTYRMLQ-UHFFFAOYSA-N 1 2 327.334 3.722 50 0 EHAALO O[C@@](/C=C/c1ccc(Cl)cc1)(Cn1cc[nH+]c1)c1cccnc1 ZINC000004626499 210235426 /nfs/dbraw/zinc/23/54/26/210235426.db2.gz LFZUFGUVKIXHGG-DVBCCOPCSA-N 1 2 325.799 3.533 50 0 EHAALO C[C@H](CNC(=O)Nc1cc(Cl)ccc1Cl)Cn1cc[nH+]c1 ZINC000065591838 214972284 /nfs/dbraw/zinc/97/22/84/214972284.db2.gz XGZQCGXBKXYGHD-SNVBAGLBSA-N 1 2 327.215 3.648 50 0 EHAALO COc1cc(OC)c2[nH+]c(C)c3c(c2c1)N(c1ccc(O)cc1)CC3 ZINC000004050984 210108918 /nfs/dbraw/zinc/10/89/18/210108918.db2.gz NPQZNMPPUASIAY-UHFFFAOYSA-N 1 2 336.391 3.960 50 0 EHAALO CCC(CC)N(C)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067560489 215161694 /nfs/dbraw/zinc/16/16/94/215161694.db2.gz YUGGNICCTLETCI-UHFFFAOYSA-N 1 2 329.444 3.567 50 0 EHAALO CCC(CC)N(C)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067560489 215161697 /nfs/dbraw/zinc/16/16/97/215161697.db2.gz YUGGNICCTLETCI-UHFFFAOYSA-N 1 2 329.444 3.567 50 0 EHAALO CC[C@H](C)N(CC)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067739875 215198693 /nfs/dbraw/zinc/19/86/93/215198693.db2.gz XOGGYNDMXOIRFF-HNNXBMFYSA-N 1 2 329.444 3.567 50 0 EHAALO CC[C@H](C)N(CC)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067739875 215198695 /nfs/dbraw/zinc/19/86/95/215198695.db2.gz XOGGYNDMXOIRFF-HNNXBMFYSA-N 1 2 329.444 3.567 50 0 EHAALO O=C([O-])c1ccccc1C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000067774157 215209920 /nfs/dbraw/zinc/20/99/20/215209920.db2.gz YALALDCDKKHNHD-HNNXBMFYSA-N 1 2 349.434 3.716 50 0 EHAALO O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000067774157 215209923 /nfs/dbraw/zinc/20/99/23/215209923.db2.gz YALALDCDKKHNHD-HNNXBMFYSA-N 1 2 349.434 3.716 50 0 EHAALO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000068938811 215346580 /nfs/dbraw/zinc/34/65/80/215346580.db2.gz YQIZHNHFRNWFPF-LBPRGKRZSA-N 1 2 349.356 3.896 50 0 EHAALO COc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1Cl ZINC000040536384 213340884 /nfs/dbraw/zinc/34/08/84/213340884.db2.gz YLQYCMCQCZUDBD-UHFFFAOYSA-N 1 2 341.798 3.846 50 0 EHAALO COc1ccc(C[N@H+](C)Cc2csc(-c3ccccn3)n2)cc1F ZINC000040487736 213316388 /nfs/dbraw/zinc/31/63/88/213316388.db2.gz VVLZHVDWIYFZBT-UHFFFAOYSA-N 1 2 343.427 3.985 50 0 EHAALO COc1ccc(C[N@@H+](C)Cc2csc(-c3ccccn3)n2)cc1F ZINC000040487736 213316392 /nfs/dbraw/zinc/31/63/92/213316392.db2.gz VVLZHVDWIYFZBT-UHFFFAOYSA-N 1 2 343.427 3.985 50 0 EHAALO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000040092435 213261991 /nfs/dbraw/zinc/26/19/91/213261991.db2.gz GHLNUQWGLWOQDL-SJORKVTESA-N 1 2 349.434 3.522 50 0 EHAALO Cc1ccc(Nc2c(C(=O)N3CCOCC3)c[nH+]c3ccccc32)cc1 ZINC000035478538 213030997 /nfs/dbraw/zinc/03/09/97/213030997.db2.gz ZIUNBBZRXKSHPJ-UHFFFAOYSA-N 1 2 347.418 3.759 50 0 EHAALO COc1cc2c(cc1-c1[nH+]ccn1Cc1noc(C(C)C)n1)CCC2 ZINC000071750272 215807024 /nfs/dbraw/zinc/80/70/24/215807024.db2.gz VEQRVTZABGUTHR-UHFFFAOYSA-N 1 2 338.411 3.602 50 0 EHAALO O=C(CCC(=O)c1cccs1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000022955762 212338930 /nfs/dbraw/zinc/33/89/30/212338930.db2.gz TWMDFBZISLMXOC-UHFFFAOYSA-N 1 2 325.393 3.535 50 0 EHAALO Cc1cc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc[nH+]1 ZINC000193944471 240372885 /nfs/dbraw/zinc/37/28/85/240372885.db2.gz RHLUHWQYCCRBSF-UHFFFAOYSA-N 1 2 341.386 3.656 50 0 EHAALO c1c(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)onc1-c1ccccc1 ZINC000215110530 241105665 /nfs/dbraw/zinc/10/56/65/241105665.db2.gz DHYCVJUDJVGLDJ-LJQANCHMSA-N 1 2 349.434 3.918 50 0 EHAALO c1c(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)onc1-c1ccccc1 ZINC000215110530 241105668 /nfs/dbraw/zinc/10/56/68/241105668.db2.gz DHYCVJUDJVGLDJ-LJQANCHMSA-N 1 2 349.434 3.918 50 0 EHAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)[C@H](C)c1ccncn1 ZINC000215781968 241148139 /nfs/dbraw/zinc/14/81/39/241148139.db2.gz GUOLDCNIIDDYHU-OAHLLOKOSA-N 1 2 339.418 3.611 50 0 EHAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)[C@H](C)c1ccncn1 ZINC000215781968 241148144 /nfs/dbraw/zinc/14/81/44/241148144.db2.gz GUOLDCNIIDDYHU-OAHLLOKOSA-N 1 2 339.418 3.611 50 0 EHAALO CCCNC(=O)Nc1ccc(CCc2[nH+]c3ccccc3n2C)cc1 ZINC000021357719 212222552 /nfs/dbraw/zinc/22/25/52/212222552.db2.gz NUSROAPPOZTJLL-UHFFFAOYSA-N 1 2 336.439 3.890 50 0 EHAALO COc1cc(C)cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000242339335 243020404 /nfs/dbraw/zinc/02/04/04/243020404.db2.gz ZGYWBRJJWACZIB-RHSMWYFYSA-N 1 2 342.443 3.624 50 0 EHAALO CCc1cc2c(cc1O)oc([C@@H](C)[NH3+])c(-c1nc(C)cs1)c2=O ZINC000020610672 212155494 /nfs/dbraw/zinc/15/54/94/212155494.db2.gz TWEIBSYRTMWGBE-SECBINFHSA-N 1 2 330.409 3.513 50 0 biogenic EHAALO O=C(CCC1CCCC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019841754 212073703 /nfs/dbraw/zinc/07/37/03/212073703.db2.gz ACMYLPIAWKPDEW-UHFFFAOYSA-N 1 2 334.891 3.955 50 0 EHAALO CSc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000019790075 212066798 /nfs/dbraw/zinc/06/67/98/212066798.db2.gz CNCVFKNVPPUYSI-UHFFFAOYSA-N 1 2 344.455 3.506 50 0 EHAALO CCOc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000019721122 212057917 /nfs/dbraw/zinc/05/79/17/212057917.db2.gz SHQHFJSTDDYLKB-FOWTUZBSSA-N 1 2 346.452 3.565 50 0 EHAALO CCc1cc(Sc2[nH+]cc3ccccn32)nc(-c2ccccn2)n1 ZINC000078543239 217071325 /nfs/dbraw/zinc/07/13/25/217071325.db2.gz FUXZCMBOJIGSHC-UHFFFAOYSA-N 1 2 333.420 3.900 50 0 EHAALO COc1cc(OC)cc(C(=O)Nc2ccc3[nH]c(C4CC4)[nH+]c3c2)c1 ZINC000079488070 217233382 /nfs/dbraw/zinc/23/33/82/217233382.db2.gz QJPTXMBBHOGTDH-UHFFFAOYSA-N 1 2 337.379 3.710 50 0 EHAALO O=C(Cn1cc[nH+]c1)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000081343635 217386528 /nfs/dbraw/zinc/38/65/28/217386528.db2.gz NOVLYGZZPFYYOU-UHFFFAOYSA-N 1 2 340.814 3.787 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1F)c1ccc(Cl)cc1 ZINC000012506635 211395107 /nfs/dbraw/zinc/39/51/07/211395107.db2.gz ISAZKRRBYIOBIJ-INIZCTEOSA-N 1 2 343.789 3.732 50 0 EHAALO O=C(C[N@@H+]1CCc2sccc2C1)Nc1ccc(C(F)(F)F)cc1 ZINC000010341077 211166713 /nfs/dbraw/zinc/16/67/13/211166713.db2.gz YUATZKNWINGGDB-UHFFFAOYSA-N 1 2 340.370 3.764 50 0 EHAALO O=C(C[N@H+]1CCc2sccc2C1)Nc1ccc(C(F)(F)F)cc1 ZINC000010341077 211166718 /nfs/dbraw/zinc/16/67/18/211166718.db2.gz YUATZKNWINGGDB-UHFFFAOYSA-N 1 2 340.370 3.764 50 0 EHAALO CC(C)[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1nc(C2CC2)no1 ZINC000095396770 218328850 /nfs/dbraw/zinc/32/88/50/218328850.db2.gz GJDDGFGFCIASML-MRXNPFEDSA-N 1 2 343.427 3.595 50 0 EHAALO CCn1cc[nH+]c1-c1cccc(NCc2c[nH]nc2-c2cccnc2)c1 ZINC000095429368 218371695 /nfs/dbraw/zinc/37/16/95/218371695.db2.gz JTXNBIFQVQWFSH-UHFFFAOYSA-N 1 2 344.422 3.967 50 0 EHAALO CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000004913680 210321365 /nfs/dbraw/zinc/32/13/65/210321365.db2.gz UDMBZCGQSVNJEB-UHFFFAOYSA-N 1 2 334.441 3.579 50 0 EHAALO CCc1nc2ccccc2n1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000097466556 219026160 /nfs/dbraw/zinc/02/61/60/219026160.db2.gz UVSITOHDPCXXJY-INIZCTEOSA-N 1 2 348.450 3.626 50 0 EHAALO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1nc(-c3ccco3)no1)CCC2 ZINC000152467840 257956655 /nfs/dbraw/zinc/95/66/55/257956655.db2.gz AVBGPWCOTDRUPZ-GFCCVEGCSA-N 1 2 344.440 3.858 50 0 EHAALO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1nc(-c3ccco3)no1)CCC2 ZINC000152467840 257956656 /nfs/dbraw/zinc/95/66/56/257956656.db2.gz AVBGPWCOTDRUPZ-GFCCVEGCSA-N 1 2 344.440 3.858 50 0 EHAALO CC(C)[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1[nH+]ccn1C ZINC000299791058 258096780 /nfs/dbraw/zinc/09/67/80/258096780.db2.gz BYVIQZCRKMIKTF-OAHLLOKOSA-N 1 2 340.254 3.783 50 0 EHAALO O=C([C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CCCCC1 ZINC000032879826 258058925 /nfs/dbraw/zinc/05/89/25/258058925.db2.gz BNVOTRRMNVKHTF-LJQANCHMSA-N 1 2 340.492 3.860 50 0 EHAALO O=C([C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CCCCC1 ZINC000032879826 258058927 /nfs/dbraw/zinc/05/89/27/258058927.db2.gz BNVOTRRMNVKHTF-LJQANCHMSA-N 1 2 340.492 3.860 50 0 EHAALO COc1cccc(F)c1[C@H](C)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000176018672 533570416 /nfs/dbraw/zinc/57/04/16/533570416.db2.gz DTFRBFYSRJGOTI-JSGCOSHPSA-N 1 2 346.406 3.555 50 0 EHAALO COc1ccccc1[C@@H](NC(=O)Nc1cc[nH+]cc1C)c1ccccn1 ZINC000122154330 222025726 /nfs/dbraw/zinc/02/57/26/222025726.db2.gz JTGPYDOUTXREAB-LJQANCHMSA-N 1 2 348.406 3.705 50 0 EHAALO CC(=O)c1cc(C[NH+]2CCC(c3nc(C(C)C)no3)CC2)cs1 ZINC000216390691 534817297 /nfs/dbraw/zinc/81/72/97/534817297.db2.gz SJPYFVXGTFSURQ-UHFFFAOYSA-N 1 2 333.457 3.837 50 0 EHAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cccc(Cl)c1F)C2 ZINC000154560879 528326355 /nfs/dbraw/zinc/32/63/55/528326355.db2.gz VLPMJHHPNDODFT-UHFFFAOYSA-N 1 2 335.810 3.535 50 0 EHAALO Cc1ccccc1N1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000000301111 563275652 /nfs/dbraw/zinc/27/56/52/563275652.db2.gz AHUGUSZDZVOXJT-UHFFFAOYSA-N 1 2 335.245 3.673 50 0 EHAALO Cc1[nH+]c2ccccc2n1CC1N=NC(=S)N1c1ccc(C)cc1 ZINC000005926577 563554243 /nfs/dbraw/zinc/55/42/43/563554243.db2.gz GYZGEIGDGZJXQD-UHFFFAOYSA-N 1 2 335.436 3.571 50 0 EHAALO FC(F)(F)Cn1cc[nH+]c1CN1CCS[C@@H](c2ccccc2)C1 ZINC000071910704 563576396 /nfs/dbraw/zinc/57/63/96/563576396.db2.gz QHMKQNLWUVZLQF-CQSZACIVSA-N 1 2 341.402 3.736 50 0 EHAALO C[N@@H+](Cc1ncc(-c2ccccc2)o1)C[C@H]1COc2ccccc2O1 ZINC000032654937 563676761 /nfs/dbraw/zinc/67/67/61/563676761.db2.gz GNCFTBZLTDRJKF-INIZCTEOSA-N 1 2 336.391 3.613 50 0 EHAALO C[N@H+](Cc1ncc(-c2ccccc2)o1)C[C@H]1COc2ccccc2O1 ZINC000032654937 563676765 /nfs/dbraw/zinc/67/67/65/563676765.db2.gz GNCFTBZLTDRJKF-INIZCTEOSA-N 1 2 336.391 3.613 50 0 EHAALO COc1ccc(C[N@H+](Cc2nnc(-c3ccccc3)o2)C2CC2)cc1 ZINC000032751491 563724378 /nfs/dbraw/zinc/72/43/78/563724378.db2.gz GTCVHCCWIHFVCF-UHFFFAOYSA-N 1 2 335.407 3.910 50 0 EHAALO COc1ccc(C[N@@H+](Cc2nnc(-c3ccccc3)o2)C2CC2)cc1 ZINC000032751491 563724379 /nfs/dbraw/zinc/72/43/79/563724379.db2.gz GTCVHCCWIHFVCF-UHFFFAOYSA-N 1 2 335.407 3.910 50 0 EHAALO CNc1snc(C)c1C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000032786906 563733585 /nfs/dbraw/zinc/73/35/85/563733585.db2.gz SLKDLMHZCILJLA-UHFFFAOYSA-N 1 2 343.456 3.919 50 0 EHAALO Cc1cccc(C)c1OC[C@H](O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000016903130 563825275 /nfs/dbraw/zinc/82/52/75/563825275.db2.gz RBTSXYDZWLLEMA-QGZVFWFLSA-N 1 2 336.435 3.970 50 0 EHAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)s1 ZINC000024747016 563874798 /nfs/dbraw/zinc/87/47/98/563874798.db2.gz FSEHPFYHSJVAQB-UHFFFAOYSA-N 1 2 331.828 3.576 50 0 EHAALO Cc1cc(C)nc(N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)n1 ZINC000043533560 563903730 /nfs/dbraw/zinc/90/37/30/563903730.db2.gz AQIUFZDUUKUBDG-HNNXBMFYSA-N 1 2 327.819 3.682 50 0 EHAALO CCc1nc(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cs1 ZINC000058217745 563940046 /nfs/dbraw/zinc/94/00/46/563940046.db2.gz CBKRKIDKIIWQOG-UHFFFAOYSA-N 1 2 329.469 3.734 50 0 EHAALO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1sccc1C1CC1 ZINC000058269061 563941352 /nfs/dbraw/zinc/94/13/52/563941352.db2.gz XWJNGPVSCXBDIO-UHFFFAOYSA-N 1 2 341.480 3.941 50 0 EHAALO Cc1cc(C(=O)Nc2ccc(-c3cn4cccc(C)c4[nH+]3)cc2)no1 ZINC000058423286 563945844 /nfs/dbraw/zinc/94/58/44/563945844.db2.gz VLVFEEYDSKZIBO-UHFFFAOYSA-N 1 2 332.363 3.858 50 0 EHAALO CC(C)=CCSc1ccccc1C(=O)NCCCn1cc[nH+]c1 ZINC000096420603 563951541 /nfs/dbraw/zinc/95/15/41/563951541.db2.gz XXSLDJVILBQJAQ-UHFFFAOYSA-N 1 2 329.469 3.762 50 0 EHAALO CC(=O)Nc1cccc(CN(C)Cc2[nH+]ccn2Cc2ccccc2)c1 ZINC000096441587 563953103 /nfs/dbraw/zinc/95/31/03/563953103.db2.gz FKQXJEHNKVMJMH-UHFFFAOYSA-N 1 2 348.450 3.522 50 0 EHAALO CC(=O)Nc1cccc(C[N@H+](C)Cc2nccn2Cc2ccccc2)c1 ZINC000096441587 563953104 /nfs/dbraw/zinc/95/31/04/563953104.db2.gz FKQXJEHNKVMJMH-UHFFFAOYSA-N 1 2 348.450 3.522 50 0 EHAALO CC(=O)Nc1cccc(C[N@@H+](C)Cc2nccn2Cc2ccccc2)c1 ZINC000096441587 563953105 /nfs/dbraw/zinc/95/31/05/563953105.db2.gz FKQXJEHNKVMJMH-UHFFFAOYSA-N 1 2 348.450 3.522 50 0 EHAALO Cc1[nH]cc(-c2c(-c3ccccc3)ncn2[C@@H](C)Cc2cnccn2)[nH+]1 ZINC000065384983 563959121 /nfs/dbraw/zinc/95/91/21/563959121.db2.gz WWVUESZUKRLZJD-AWEZNQCLSA-N 1 2 344.422 3.842 50 0 EHAALO CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1[C@@H](C)c1cnn(C)c1 ZINC000065403262 563959951 /nfs/dbraw/zinc/95/99/51/563959951.db2.gz FQRGNDBRZSMFLR-HNNXBMFYSA-N 1 2 346.438 3.776 50 0 EHAALO C[C@@H]([NH2+]Cc1csc([C@@H]2CCCO2)n1)c1ccc2c(c1)OCO2 ZINC000097033046 563971166 /nfs/dbraw/zinc/97/11/66/563971166.db2.gz AAGBUSFOFZHMMB-ABAIWWIYSA-N 1 2 332.425 3.574 50 0 EHAALO O=C(NCc1c[nH+]cn1C1CC1)Nc1cccc(OC2CCCC2)c1 ZINC000096141649 563979527 /nfs/dbraw/zinc/97/95/27/563979527.db2.gz WUBKUVORILTHEQ-UHFFFAOYSA-N 1 2 340.427 3.861 50 0 EHAALO CCO[C@H](C)c1ccc(-c2ccc(C[NH+]3CCN(C)CC3)cn2)cc1 ZINC000097099465 563981292 /nfs/dbraw/zinc/98/12/92/563981292.db2.gz HXHKPRVARAUILM-QGZVFWFLSA-N 1 2 339.483 3.594 50 0 EHAALO O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCCC[C@@H]1c1cccnc1 ZINC000097137320 563981377 /nfs/dbraw/zinc/98/13/77/563981377.db2.gz LGJICSZQPLJQDS-GOSISDBHSA-N 1 2 332.407 3.839 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000328586274 563983964 /nfs/dbraw/zinc/98/39/64/563983964.db2.gz NDZVITNYCDSMCI-ZIAGYGMSSA-N 1 2 325.403 3.782 50 0 EHAALO CCCn1c(C)nnc1C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000158673770 563991439 /nfs/dbraw/zinc/99/14/39/563991439.db2.gz SUYHIMQFEHASJQ-KRWDZBQOSA-N 1 2 330.501 3.595 50 0 EHAALO CCCn1c(C)nnc1C[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000158673770 563991440 /nfs/dbraw/zinc/99/14/40/563991440.db2.gz SUYHIMQFEHASJQ-KRWDZBQOSA-N 1 2 330.501 3.595 50 0 EHAALO Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000408522606 563993238 /nfs/dbraw/zinc/99/32/38/563993238.db2.gz KHHAHJOQVZRASO-ZWKOTPCHSA-N 1 2 339.483 4.000 50 0 EHAALO Cc1nc2sc3c(c2c(NCCCn2cc[nH+]c2)n1)CCCC3 ZINC000005265091 564001709 /nfs/dbraw/zinc/00/17/09/564001709.db2.gz XIQBAHREPHIBMR-UHFFFAOYSA-N 1 2 327.457 3.577 50 0 EHAALO CCCC(=O)Nc1ccc(Nc2nc(N3CCCC3)cc(C)[nH+]2)cc1 ZINC000017269556 564011520 /nfs/dbraw/zinc/01/15/20/564011520.db2.gz VPOZFFIMSZSDMR-UHFFFAOYSA-N 1 2 339.443 3.867 50 0 EHAALO C[C@H](Sc1ccccc1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000108976981 564028596 /nfs/dbraw/zinc/02/85/96/564028596.db2.gz OIFMVZZTGYBKFY-LPHOPBHVSA-N 1 2 340.492 3.683 50 0 EHAALO C[C@H](Sc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000108976981 564028597 /nfs/dbraw/zinc/02/85/97/564028597.db2.gz OIFMVZZTGYBKFY-LPHOPBHVSA-N 1 2 340.492 3.683 50 0 EHAALO O=C(C[C@H]1OCCc2ccccc21)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000115353019 564033119 /nfs/dbraw/zinc/03/31/19/564033119.db2.gz JBCYNVDHTKTFIV-GOSISDBHSA-N 1 2 333.391 3.719 50 0 EHAALO CSc1ccccc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000221188009 564036094 /nfs/dbraw/zinc/03/60/94/564036094.db2.gz JFCOVTADBDIYEI-QGZVFWFLSA-N 1 2 337.448 3.776 50 0 EHAALO Cc1ccc(O[C@@H](C)C(=O)N[C@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000012529372 564058207 /nfs/dbraw/zinc/05/82/07/564058207.db2.gz CMDBWKADAXLMMA-QFBILLFUSA-N 1 2 349.434 3.586 50 0 EHAALO O=C(Cc1ccccc1Cl)N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000012531452 564058314 /nfs/dbraw/zinc/05/83/14/564058314.db2.gz ZXGPCOZABBWBIN-QGZVFWFLSA-N 1 2 339.826 3.706 50 0 EHAALO CCCOc1ccc(C(=O)N[C@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000012547525 564059000 /nfs/dbraw/zinc/05/90/00/564059000.db2.gz BJZXJBHUELDXRQ-LJQANCHMSA-N 1 2 349.434 3.912 50 0 EHAALO Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000012550702 564059160 /nfs/dbraw/zinc/05/91/60/564059160.db2.gz UHYJVKWFMIDODE-KRWDZBQOSA-N 1 2 349.434 3.745 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccccc1F)c1ccc(F)cc1 ZINC000012559624 564059459 /nfs/dbraw/zinc/05/94/59/564059459.db2.gz PCXSPSUJAXMDGU-MRXNPFEDSA-N 1 2 342.349 3.609 50 0 EHAALO Cc1sc2nc(C[N@@H+](C)Cc3ccccc3C)nc(N)c2c1C ZINC000012606074 564060494 /nfs/dbraw/zinc/06/04/94/564060494.db2.gz LNLHIGYLTZTNBN-UHFFFAOYSA-N 1 2 326.469 3.831 50 0 EHAALO Cc1sc2nc(C[N@H+](C)Cc3ccccc3C)nc(N)c2c1C ZINC000012606074 564060495 /nfs/dbraw/zinc/06/04/95/564060495.db2.gz LNLHIGYLTZTNBN-UHFFFAOYSA-N 1 2 326.469 3.831 50 0 EHAALO COc1ccc(-c2nnc(COc3cccc(-n4cc[nH+]c4)c3)o2)cc1 ZINC000075147198 564080771 /nfs/dbraw/zinc/08/07/71/564080771.db2.gz RAUMTRPLRWFNLZ-UHFFFAOYSA-N 1 2 348.362 3.510 50 0 EHAALO O=C(Nc1ccccc1-c1ccccc1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000075163798 564080951 /nfs/dbraw/zinc/08/09/51/564080951.db2.gz OPYUMAPIPDXHBJ-UHFFFAOYSA-N 1 2 341.374 3.582 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2cc(F)ccc2F)C1 ZINC000575616857 564083500 /nfs/dbraw/zinc/08/35/00/564083500.db2.gz KLZWPZCRXHMQIJ-CQSZACIVSA-N 1 2 341.361 3.710 50 0 EHAALO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000190924505 564084410 /nfs/dbraw/zinc/08/44/10/564084410.db2.gz SCXPKXVXBRPRQZ-DOTOQJQBSA-N 1 2 340.423 3.766 50 0 EHAALO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000075605034 564089755 /nfs/dbraw/zinc/08/97/55/564089755.db2.gz RRNZBQJZBFTFIU-CYBMUJFWSA-N 1 2 330.819 3.860 50 0 EHAALO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000075605034 564089756 /nfs/dbraw/zinc/08/97/56/564089756.db2.gz RRNZBQJZBFTFIU-CYBMUJFWSA-N 1 2 330.819 3.860 50 0 EHAALO CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000267400802 564093309 /nfs/dbraw/zinc/09/33/09/564093309.db2.gz MWLDAEHPVTXUPM-ZWKOTPCHSA-N 1 2 343.496 3.726 50 0 EHAALO CC(C)c1[nH]c2ccc(NC(=O)NCCCc3ccccn3)cc2[nH+]1 ZINC000426574893 564094169 /nfs/dbraw/zinc/09/41/69/564094169.db2.gz KZYGYJZEPYRJQF-UHFFFAOYSA-N 1 2 337.427 3.836 50 0 EHAALO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCC(c3ccncc3)CC2)c1 ZINC000426727491 564094440 /nfs/dbraw/zinc/09/44/40/564094440.db2.gz NHTOZGDEYSERAU-UHFFFAOYSA-N 1 2 346.434 3.502 50 0 EHAALO CC(C)CN(Cc1[nH+]ccn1Cc1cccc(Cl)c1)C(=O)C1CC1 ZINC000006689465 564095826 /nfs/dbraw/zinc/09/58/26/564095826.db2.gz HRRZOVIJBCHAMV-UHFFFAOYSA-N 1 2 345.874 3.979 50 0 EHAALO Cc1oc2c(c1C(=O)N1CCCC1)C[N@@H+](Cc1cccc(F)c1)CC2 ZINC000065292005 564104698 /nfs/dbraw/zinc/10/46/98/564104698.db2.gz QMYCFTIMQWOLIF-UHFFFAOYSA-N 1 2 342.414 3.521 50 0 EHAALO Cc1oc2c(c1C(=O)N1CCCC1)C[N@H+](Cc1cccc(F)c1)CC2 ZINC000065292005 564104699 /nfs/dbraw/zinc/10/46/99/564104699.db2.gz QMYCFTIMQWOLIF-UHFFFAOYSA-N 1 2 342.414 3.521 50 0 EHAALO O=C(COc1ccccc1Cl)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC000065491837 564106490 /nfs/dbraw/zinc/10/64/90/564106490.db2.gz RPFPWDAIJXBKTP-UHFFFAOYSA-N 1 2 341.798 3.602 50 0 EHAALO C[C@H]1c2ccsc2CCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000065504434 564106653 /nfs/dbraw/zinc/10/66/53/564106653.db2.gz KQXPCPRPBAJJEM-GJZGRUSLSA-N 1 2 341.480 3.505 50 0 EHAALO CCCOc1cccc(C(=O)N(C)CCCc2[nH+]ccn2CCC)c1 ZINC000170613653 564109906 /nfs/dbraw/zinc/10/99/06/564109906.db2.gz FQVRYNWHDNWBFE-UHFFFAOYSA-N 1 2 343.471 3.787 50 0 EHAALO O=C(COc1ccccc1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000007725401 564122298 /nfs/dbraw/zinc/12/22/98/564122298.db2.gz YKOXOZXUNITRQM-UHFFFAOYSA-N 1 2 335.407 3.780 50 0 EHAALO Cc1cc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c(C)c[nH+]1 ZINC000253417197 564130832 /nfs/dbraw/zinc/13/08/32/564130832.db2.gz CRNYXVXPQUTRTI-MJGOQNOKSA-N 1 2 339.439 3.818 50 0 EHAALO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1ccccc1 ZINC000079923665 564138414 /nfs/dbraw/zinc/13/84/14/564138414.db2.gz CPEHGQVJWLSSKR-XOBRGWDASA-N 1 2 349.434 3.578 50 0 EHAALO CN(C)c1ncccc1C[NH2+]Cc1csc(-c2cccs2)n1 ZINC000096403964 564147199 /nfs/dbraw/zinc/14/71/99/564147199.db2.gz HVNPBYRIVUUOJF-UHFFFAOYSA-N 1 2 330.482 3.622 50 0 EHAALO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1cccc(Cl)c1Cl ZINC000096409992 564147573 /nfs/dbraw/zinc/14/75/73/564147573.db2.gz XTNBQDKLTISYHJ-NSHDSACASA-N 1 2 326.227 3.848 50 0 EHAALO Cn1ncc2c1nc[nH+]c2N1CCC[C@H]1c1cccc2ccccc21 ZINC000057148555 564153346 /nfs/dbraw/zinc/15/33/46/564153346.db2.gz VHOBJIDOKYRAHQ-SFHVURJKSA-N 1 2 329.407 3.858 50 0 EHAALO CCOc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000003491659 564158426 /nfs/dbraw/zinc/15/84/26/564158426.db2.gz ZGLGRSIFKBFVFT-UHFFFAOYSA-N 1 2 332.831 3.809 50 0 EHAALO CCOc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000003491659 564158427 /nfs/dbraw/zinc/15/84/27/564158427.db2.gz ZGLGRSIFKBFVFT-UHFFFAOYSA-N 1 2 332.831 3.809 50 0 EHAALO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000008320748 564164356 /nfs/dbraw/zinc/16/43/56/564164356.db2.gz WCCHTLKXIFDZDM-INIZCTEOSA-N 1 2 328.437 3.726 50 0 EHAALO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000008320748 564164357 /nfs/dbraw/zinc/16/43/57/564164357.db2.gz WCCHTLKXIFDZDM-INIZCTEOSA-N 1 2 328.437 3.726 50 0 EHAALO Cc1ccc(F)cc1NC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000069515250 564170020 /nfs/dbraw/zinc/17/00/20/564170020.db2.gz RAXGUKDAQQZKLH-UHFFFAOYSA-N 1 2 342.418 3.662 50 0 EHAALO O=C(CCn1cc[nH+]c1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000069629962 564171073 /nfs/dbraw/zinc/17/10/73/564171073.db2.gz WZJDFXPGUOOKPA-HNNXBMFYSA-N 1 2 338.238 3.944 50 0 EHAALO CC(C)(C)c1nc2cc(NC(=O)NCCCn3cc[nH+]c3)ccc2o1 ZINC000069739878 564171858 /nfs/dbraw/zinc/17/18/58/564171858.db2.gz RQBNHFUXDJPJMD-UHFFFAOYSA-N 1 2 341.415 3.534 50 0 EHAALO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2ccn[nH]2)c1 ZINC000070038006 564173467 /nfs/dbraw/zinc/17/34/67/564173467.db2.gz FOZGKCAEVSHNDP-UHFFFAOYSA-N 1 2 349.463 3.673 50 0 EHAALO Cc1ncccc1C[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000375157048 564177675 /nfs/dbraw/zinc/17/76/75/564177675.db2.gz DIBCWHDQJZULHW-SFHVURJKSA-N 1 2 326.831 3.656 50 0 EHAALO Cc1c[nH+]c([C@H]2CCN(C(=O)NCc3ccc(C)cc3)C2)n1C(C)C ZINC000169788010 1032653478 /nfs/dbraw/zinc/65/34/78/1032653478.db2.gz AVDKTDMETLUMLP-SFHVURJKSA-N 1 2 340.471 3.780 50 0 EHAALO O=C(NCCc1cc2ccccc2o1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343508460 1029175790 /nfs/dbraw/zinc/17/57/90/1029175790.db2.gz SKOGVFGCAKYBNW-UHFFFAOYSA-N 1 2 345.402 3.650 50 0 EHAALO c1ccc([C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)c2ccccn2)cc1 ZINC000181072045 1124502261 /nfs/dbraw/zinc/50/22/61/1124502261.db2.gz KZQJSCPNGFXHDK-OAQYLSRUSA-N 1 2 346.434 3.515 50 0 EHAALO Cc1c[nH+]c(-c2ccncc2)n1[C@@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000581808211 1132370795 /nfs/dbraw/zinc/37/07/95/1132370795.db2.gz ZKQHOQPRMZUYRM-LJQANCHMSA-N 1 2 346.434 3.649 50 0 EHAALO Cc1ccc(-c2cccc(C[NH+]3CCN(CC(F)(F)F)CC3)c2)o1 ZINC000952870141 1137482943 /nfs/dbraw/zinc/48/29/43/1137482943.db2.gz VZMGXCSYHCJLKN-UHFFFAOYSA-N 1 2 338.373 3.935 50 0 EHAALO Cc1cc(C)c(-n2cccn2)c(C[NH2+][C@@H](C)c2nc(C(C)C)no2)c1 ZINC000952987415 1137485579 /nfs/dbraw/zinc/48/55/79/1137485579.db2.gz HUNMGBOBKGRUDA-HNNXBMFYSA-N 1 2 339.443 3.846 50 0 EHAALO c1nn(-c2ccccc2)c2nc[nH+]c(N3CC[C@@H]3c3ccccc3)c12 ZINC000052450544 214130083 /nfs/dbraw/zinc/13/00/83/214130083.db2.gz TZOWTHBYZPTCGG-GOSISDBHSA-N 1 2 327.391 3.767 50 0 EHAALO NC(=O)c1ccc(Nc2cc[nH+]c3cc(Br)ccc23)cc1 ZINC000054202324 214223843 /nfs/dbraw/zinc/22/38/43/214223843.db2.gz NPJCLLWOFVZYQZ-UHFFFAOYSA-N 1 2 342.196 3.840 50 0 EHAALO Cc1nn(C)c(Cl)c1C[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055361032 214311881 /nfs/dbraw/zinc/31/18/81/214311881.db2.gz DHEGHAJUAPDQET-UHFFFAOYSA-N 1 2 347.825 3.543 50 0 EHAALO Cc1nn(C)c(Cl)c1C[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055361032 214311883 /nfs/dbraw/zinc/31/18/83/214311883.db2.gz DHEGHAJUAPDQET-UHFFFAOYSA-N 1 2 347.825 3.543 50 0 EHAALO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)CC(=O)[C@H]2C)cc1 ZINC000055433723 214322983 /nfs/dbraw/zinc/32/29/83/214322983.db2.gz LUPLWIXSMMGDLK-ORPRQENYSA-N 1 2 325.408 3.685 50 0 EHAALO Clc1ccccc1-c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000049546871 214016777 /nfs/dbraw/zinc/01/67/77/214016777.db2.gz XVRUIWAAAGJAJQ-UHFFFAOYSA-N 1 2 347.875 3.882 50 0 EHAALO Clc1ccc(Cn2ncc3c2nc[nH+]c3N2CCCC2)c(Cl)c1 ZINC000004279461 210159562 /nfs/dbraw/zinc/15/95/62/210159562.db2.gz NPHLKFSQUOKNDQ-UHFFFAOYSA-N 1 2 348.237 3.782 50 0 EHAALO Cc1ccc(NC(=O)C[NH+]2CCCCCC2)c(Br)c1 ZINC000004258222 210154291 /nfs/dbraw/zinc/15/42/91/210154291.db2.gz OYAFGFKQIQVEQH-UHFFFAOYSA-N 1 2 325.250 3.572 50 0 EHAALO CC[C@H]1CCCC[N@@H+]1Cn1nnn(-c2ccc(C)cc2C)c1=S ZINC000003334078 210010824 /nfs/dbraw/zinc/01/08/24/210010824.db2.gz LISRVPRWJDNVCU-HNNXBMFYSA-N 1 2 331.489 3.637 50 0 EHAALO CC[C@H]1CCCC[N@H+]1Cn1nnn(-c2ccc(C)cc2C)c1=S ZINC000003334078 210010829 /nfs/dbraw/zinc/01/08/29/210010829.db2.gz LISRVPRWJDNVCU-HNNXBMFYSA-N 1 2 331.489 3.637 50 0 EHAALO CN(Cc1ccccc1)c1[nH+]cccc1CNc1ncc(Cl)cn1 ZINC000067785731 215212859 /nfs/dbraw/zinc/21/28/59/215212859.db2.gz QBVJRSUPXCOKMJ-UHFFFAOYSA-N 1 2 339.830 3.774 50 0 EHAALO CC(C)c1csc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccoc2)n1 ZINC000067818066 215219129 /nfs/dbraw/zinc/21/91/29/215219129.db2.gz VRUPLEDZTJOMBW-QGZVFWFLSA-N 1 2 328.441 3.730 50 0 EHAALO CC(C)c1nccc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccsc2)n1 ZINC000067921907 215251268 /nfs/dbraw/zinc/25/12/68/215251268.db2.gz HYBGICZUGBHEBT-QGZVFWFLSA-N 1 2 339.468 3.532 50 0 EHAALO CN(C(=O)Nc1cccc2[nH]ccc21)C1CCN(c2cccc[nH+]2)CC1 ZINC000069383961 215395937 /nfs/dbraw/zinc/39/59/37/215395937.db2.gz BUENXDBPGMWDHT-UHFFFAOYSA-N 1 2 349.438 3.696 50 0 EHAALO CC1CC[NH+](Cc2csc(NC(=O)Cc3ccc(F)cc3)n2)CC1 ZINC000040160153 213276625 /nfs/dbraw/zinc/27/66/25/213276625.db2.gz DRSRMJZGVKMYKL-UHFFFAOYSA-N 1 2 347.459 3.695 50 0 EHAALO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1F ZINC000036102993 213066574 /nfs/dbraw/zinc/06/65/74/213066574.db2.gz ZCZRHHMCXHQCAD-MRXNPFEDSA-N 1 2 335.419 3.597 50 0 EHAALO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1F ZINC000036102993 213066581 /nfs/dbraw/zinc/06/65/81/213066581.db2.gz ZCZRHHMCXHQCAD-MRXNPFEDSA-N 1 2 335.419 3.597 50 0 EHAALO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@@H](c1ccccc1)n1cccn1 ZINC000071846967 215877723 /nfs/dbraw/zinc/87/77/23/215877723.db2.gz JUXYWPQFAWGYGJ-GOSISDBHSA-N 1 2 343.390 3.501 50 0 EHAALO COc1cccc(-n2cc(C[N@H+](C)Cc3cc(C)c(C)o3)cn2)c1 ZINC000072157639 216047398 /nfs/dbraw/zinc/04/73/98/216047398.db2.gz QVACFANDDHMIQE-UHFFFAOYSA-N 1 2 325.412 3.723 50 0 EHAALO COc1cccc(-n2cc(C[N@@H+](C)Cc3cc(C)c(C)o3)cn2)c1 ZINC000072157639 216047399 /nfs/dbraw/zinc/04/73/99/216047399.db2.gz QVACFANDDHMIQE-UHFFFAOYSA-N 1 2 325.412 3.723 50 0 EHAALO CSCCCN1CCc2[nH+]c[nH]c2[C@@H]1c1ccc(Cl)cc1F ZINC000072408300 216199140 /nfs/dbraw/zinc/19/91/40/216199140.db2.gz RUBVOILMIDTAFW-INIZCTEOSA-N 1 2 339.867 3.903 50 0 EHAALO Cc1ccc(-c2[nH+]ccn2CCNC(=O)c2ccccc2Cl)cc1 ZINC000072408621 216199934 /nfs/dbraw/zinc/19/99/34/216199934.db2.gz JAXRZONKNFCWSM-UHFFFAOYSA-N 1 2 339.826 3.942 50 0 EHAALO CCCn1ccnc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1sccc1C ZINC000072428549 216218970 /nfs/dbraw/zinc/21/89/70/216218970.db2.gz UWQFZQSWLLCDPU-QGZVFWFLSA-N 1 2 341.484 3.534 50 0 EHAALO O=C([C@H]1CCCc2c3ccccc3[nH]c21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072458096 216243946 /nfs/dbraw/zinc/24/39/46/216243946.db2.gz ZLFCFIGEKLHUEM-KRWDZBQOSA-N 1 2 348.450 3.717 50 0 EHAALO C[C@H](Oc1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289546 212288709 /nfs/dbraw/zinc/28/87/09/212288709.db2.gz HLETXIVBIHCAEQ-AWEZNQCLSA-N 1 2 345.468 3.535 50 0 EHAALO Cc1cc2oc(=O)cc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2cc1C(C)C ZINC000021821993 212254714 /nfs/dbraw/zinc/25/47/14/212254714.db2.gz FNOCGLYKNHNNJV-HUUCEWRRSA-N 1 2 329.440 3.834 50 0 EHAALO COc1cccc([C@@H]([NH2+][C@@H](C)c2nccnc2C)c2ccccn2)c1 ZINC000242302320 243018461 /nfs/dbraw/zinc/01/84/61/243018461.db2.gz YRKWUEYPRHLTBV-MGPUTAFESA-N 1 2 334.423 3.629 50 0 EHAALO Cc1c(F)cccc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000244584355 243042287 /nfs/dbraw/zinc/04/22/87/243042287.db2.gz CXRHDSJEXRXQRP-GOSISDBHSA-N 1 2 327.403 3.695 50 0 EHAALO Cc1c(F)cccc1NC(=O)C[N@H+]1CCCC[C@@H]1c1ccccn1 ZINC000244584355 243042291 /nfs/dbraw/zinc/04/22/91/243042291.db2.gz CXRHDSJEXRXQRP-GOSISDBHSA-N 1 2 327.403 3.695 50 0 EHAALO CSCc1noc(C[N@H+](Cc2ccccn2)C2CCCCC2)n1 ZINC000244723568 243070802 /nfs/dbraw/zinc/07/08/02/243070802.db2.gz MDVCRRWQXSZNLY-UHFFFAOYSA-N 1 2 332.473 3.663 50 0 EHAALO CSCc1noc(C[N@@H+](Cc2ccccn2)C2CCCCC2)n1 ZINC000244723568 243070805 /nfs/dbraw/zinc/07/08/05/243070805.db2.gz MDVCRRWQXSZNLY-UHFFFAOYSA-N 1 2 332.473 3.663 50 0 EHAALO Cc1cc2oc(=O)cc(C[N@H+](C)Cc3cnccn3)c2cc1C(C)C ZINC000080964914 217344794 /nfs/dbraw/zinc/34/47/94/217344794.db2.gz BMNMPMGBKVMGCJ-UHFFFAOYSA-N 1 2 337.423 3.647 50 0 EHAALO Cc1cc2oc(=O)cc(C[N@@H+](C)Cc3cnccn3)c2cc1C(C)C ZINC000080964914 217344797 /nfs/dbraw/zinc/34/47/97/217344797.db2.gz BMNMPMGBKVMGCJ-UHFFFAOYSA-N 1 2 337.423 3.647 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000091746758 218057854 /nfs/dbraw/zinc/05/78/54/218057854.db2.gz AIVQEYPGRSJGHD-MRXNPFEDSA-N 1 2 340.427 3.517 50 0 EHAALO CCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)N1CC(c2cccnc2)C1 ZINC000091942951 218092791 /nfs/dbraw/zinc/09/27/91/218092791.db2.gz BHDAZAUFLSVLSI-GOSISDBHSA-N 1 2 348.450 3.571 50 0 EHAALO O=C(NCc1[nH]cc[nH+]1)Nc1cccc(Cl)c1SCC(F)F ZINC000092050420 218110484 /nfs/dbraw/zinc/11/04/84/218110484.db2.gz DUPTYTDKFAJUFJ-UHFFFAOYSA-N 1 2 346.790 3.742 50 0 EHAALO Clc1ccccc1-n1ncc2c1nc[nH+]c2N1CCCCCC1 ZINC000009627336 211109160 /nfs/dbraw/zinc/10/91/60/211109160.db2.gz MFQJGMCTHVCKFA-UHFFFAOYSA-N 1 2 327.819 3.849 50 0 EHAALO C[S@@](=O)c1ccc(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000095428938 218372131 /nfs/dbraw/zinc/37/21/31/218372131.db2.gz BLFTXZADJDTWTC-QHCPKHFHSA-N 1 2 345.855 3.875 50 0 EHAALO Cn1c(=[NH2+])n(CC(=O)c2ccccc2)cc1-c1cccc(Cl)c1 ZINC000334157528 258004958 /nfs/dbraw/zinc/00/49/58/258004958.db2.gz GSEJDAXPFGNCAV-UHFFFAOYSA-N 1 2 325.799 3.509 50 0 EHAALO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2ccccc2)CC1 ZINC000052634694 132185058 /nfs/dbraw/zinc/18/50/58/132185058.db2.gz UZULXKSERJMLTA-INIZCTEOSA-N 1 2 334.423 3.620 50 0 EHAALO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCN(c4ccccc4)CC3)o2)cc1 ZINC000057293387 132199372 /nfs/dbraw/zinc/19/93/72/132199372.db2.gz XFEPWXRIHLBWET-QGZVFWFLSA-N 1 2 348.450 3.928 50 0 EHAALO C[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000035798772 132391191 /nfs/dbraw/zinc/39/11/91/132391191.db2.gz LUBFLVPZPQTENH-CQSZACIVSA-N 1 2 348.368 3.943 50 0 EHAALO C[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000035798772 132391192 /nfs/dbraw/zinc/39/11/92/132391192.db2.gz LUBFLVPZPQTENH-CQSZACIVSA-N 1 2 348.368 3.943 50 0 EHAALO CSCc1ccc(N2CCC[C@H](OCc3cccnc3)C2)[nH+]c1 ZINC000082107629 132818758 /nfs/dbraw/zinc/81/87/58/132818758.db2.gz AEXFJCRLPAVOAN-KRWDZBQOSA-N 1 2 329.469 3.525 50 0 EHAALO CC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2ccc3c(c2)OCCO3)cs1 ZINC000216139114 534818195 /nfs/dbraw/zinc/81/81/95/534818195.db2.gz HSZRRPMEHJBHLB-LBPRGKRZSA-N 1 2 331.437 3.915 50 0 EHAALO CC(=O)c1cc(C[N@H+](C)[C@@H](C)c2ccc3c(c2)OCCO3)cs1 ZINC000216139114 534818199 /nfs/dbraw/zinc/81/81/99/534818199.db2.gz HSZRRPMEHJBHLB-LBPRGKRZSA-N 1 2 331.437 3.915 50 0 EHAALO COc1cc(Br)c(Cc2[nH]c3ccccc3[nH+]2)cc1OC ZINC000000282382 563272238 /nfs/dbraw/zinc/27/22/38/563272238.db2.gz XXDITOMDDLOBHX-UHFFFAOYSA-N 1 2 347.212 3.933 50 0 EHAALO Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)[nH+]c2ccccc12 ZINC000003469070 563485344 /nfs/dbraw/zinc/48/53/44/563485344.db2.gz XMQWYPLXGFTKSP-UHFFFAOYSA-N 1 2 331.419 3.506 50 0 EHAALO Cc1c(=O)[nH]c(SCc2cn3ccccc3[nH+]2)nc1-c1ccccc1 ZINC000097377503 563607921 /nfs/dbraw/zinc/60/79/21/563607921.db2.gz FQXGQYJZQAGUSU-UHFFFAOYSA-N 1 2 348.431 3.685 50 0 EHAALO FC(F)(F)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000016695354 563820970 /nfs/dbraw/zinc/82/09/70/563820970.db2.gz YNNSKGNPGYHFOT-GFCCVEGCSA-N 1 2 335.753 3.981 50 0 EHAALO FC(F)(F)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000016695354 563820972 /nfs/dbraw/zinc/82/09/72/563820972.db2.gz YNNSKGNPGYHFOT-GFCCVEGCSA-N 1 2 335.753 3.981 50 0 EHAALO CC(C)OCCCNc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000017113523 563836757 /nfs/dbraw/zinc/83/67/57/563836757.db2.gz CVGBOGOOQQEFLM-UHFFFAOYSA-N 1 2 345.834 3.696 50 0 EHAALO Cn1c2ccccc2nc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000019859202 563856924 /nfs/dbraw/zinc/85/69/24/563856924.db2.gz YKMSTUDOGGAEJH-UHFFFAOYSA-N 1 2 340.858 3.549 50 0 EHAALO CC[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000247024569 563862174 /nfs/dbraw/zinc/86/21/74/563862174.db2.gz DJGOJVTYDJZUJA-PXAZEXFGSA-N 1 2 334.510 3.672 50 0 EHAALO CC[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000247024569 563862176 /nfs/dbraw/zinc/86/21/76/563862176.db2.gz DJGOJVTYDJZUJA-PXAZEXFGSA-N 1 2 334.510 3.672 50 0 EHAALO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccc(Cl)cn1 ZINC000026372444 563891164 /nfs/dbraw/zinc/89/11/64/563891164.db2.gz QIZQBUJVPLQKFO-JTQLQIEISA-N 1 2 332.816 3.502 50 0 EHAALO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000026895034 563893864 /nfs/dbraw/zinc/89/38/64/563893864.db2.gz ADEHFOWFGHHJGT-ZDUSSCGKSA-N 1 2 331.243 3.875 50 0 EHAALO CCSc1cncc(N[C@H](c2[nH+]ccn2C)c2ccccc2)n1 ZINC000072274375 563902561 /nfs/dbraw/zinc/90/25/61/563902561.db2.gz KUFKWADADOPXCV-INIZCTEOSA-N 1 2 325.441 3.524 50 0 EHAALO C[C@H](c1noc(-c2[nH]c3ccc(F)cc3c2Cl)n1)n1cc[nH+]c1 ZINC000072285635 563907204 /nfs/dbraw/zinc/90/72/04/563907204.db2.gz JCDRJHXJUDZTLR-MRVPVSSYSA-N 1 2 331.738 3.816 50 0 EHAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000058223369 563940328 /nfs/dbraw/zinc/94/03/28/563940328.db2.gz RYCZPVGXCAGKSI-GOSISDBHSA-N 1 2 349.434 3.668 50 0 EHAALO CN(Cc1csc2ccccc12)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058281116 563941548 /nfs/dbraw/zinc/94/15/48/563941548.db2.gz OBWRNFLAPVUSGO-UHFFFAOYSA-N 1 2 348.431 3.754 50 0 EHAALO C[C@@H](Sc1[nH+]cnc2c1cnn2C)c1ccc(OC(F)F)cc1 ZINC000058316423 563942371 /nfs/dbraw/zinc/94/23/71/563942371.db2.gz LFTSVIIGEZHYGD-SECBINFHSA-N 1 2 336.367 3.818 50 0 EHAALO Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058328053 563942712 /nfs/dbraw/zinc/94/27/12/563942712.db2.gz JCWNLXHYLRNWAY-SFHVURJKSA-N 1 2 332.407 3.553 50 0 EHAALO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2n1 ZINC000058417581 563945498 /nfs/dbraw/zinc/94/54/98/563945498.db2.gz SIMVYHHGKGMSKU-UHFFFAOYSA-N 1 2 342.402 3.659 50 0 EHAALO CCc1ccccc1NC(=O)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000033071697 563963362 /nfs/dbraw/zinc/96/33/62/563963362.db2.gz PCPLFAKYMHDISM-INIZCTEOSA-N 1 2 348.450 3.980 50 0 EHAALO Cc1ccc(-c2ccnc(NCc3cc(C(C)(C)C)n[nH]3)n2)c(C)[nH+]1 ZINC000071661416 563964704 /nfs/dbraw/zinc/96/47/04/563964704.db2.gz ASXLPWOITVRCTN-UHFFFAOYSA-N 1 2 336.443 3.788 50 0 EHAALO COc1cccc(OC)c1C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071749553 563965077 /nfs/dbraw/zinc/96/50/77/563965077.db2.gz LQQFMXZALBRLMM-IBGZPJMESA-N 1 2 347.842 3.931 50 0 EHAALO COc1cccc(OC)c1C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071749553 563965078 /nfs/dbraw/zinc/96/50/78/563965078.db2.gz LQQFMXZALBRLMM-IBGZPJMESA-N 1 2 347.842 3.931 50 0 EHAALO c1cnn(Cc2cccc(-c3[nH+]ccn3-c3ccc4c[nH]nc4c3)c2)c1 ZINC000071759028 563965323 /nfs/dbraw/zinc/96/53/23/563965323.db2.gz BOIAHWPHOGIFKE-UHFFFAOYSA-N 1 2 340.390 3.660 50 0 EHAALO COc1cc(-c2[nH+]ccn2Cc2cccc3[nH]ccc32)cc2c1OCO2 ZINC000071776673 563965765 /nfs/dbraw/zinc/96/57/65/563965765.db2.gz IJNHUKBQUKYQBD-UHFFFAOYSA-N 1 2 347.374 3.817 50 0 EHAALO CCn1c(C)nnc1C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000097112167 563968011 /nfs/dbraw/zinc/96/80/11/563968011.db2.gz TYWMYIGXJJHJPW-GFCCVEGCSA-N 1 2 327.457 3.581 50 0 EHAALO CC(C)c1noc([C@H]2CCC[N@@H+]2CCCC(=O)c2ccccc2)n1 ZINC000077353406 563969126 /nfs/dbraw/zinc/96/91/26/563969126.db2.gz HNDYHNJBBDOPAA-MRXNPFEDSA-N 1 2 327.428 3.993 50 0 EHAALO CC(C)c1noc([C@H]2CCC[N@H+]2CCCC(=O)c2ccccc2)n1 ZINC000077353406 563969127 /nfs/dbraw/zinc/96/91/27/563969127.db2.gz HNDYHNJBBDOPAA-MRXNPFEDSA-N 1 2 327.428 3.993 50 0 EHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000095521001 563977411 /nfs/dbraw/zinc/97/74/11/563977411.db2.gz MQNUCHCRZROUMY-UHFFFAOYSA-N 1 2 333.382 3.762 50 0 EHAALO Cn1cnc(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)c1 ZINC000340141475 563991572 /nfs/dbraw/zinc/99/15/72/563991572.db2.gz VZSBNHQGUHLENP-UHFFFAOYSA-N 1 2 328.759 3.513 50 0 EHAALO Cc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000248175866 563995520 /nfs/dbraw/zinc/99/55/20/563995520.db2.gz ZBWYZPZJBDUTPK-LSDHHAIUSA-N 1 2 328.481 3.853 50 0 EHAALO Cc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000248175866 563995521 /nfs/dbraw/zinc/99/55/21/563995521.db2.gz ZBWYZPZJBDUTPK-LSDHHAIUSA-N 1 2 328.481 3.853 50 0 EHAALO CCc1nc([C@H]2CCC[N@@H+]2CCCc2nc3ccccc3o2)no1 ZINC000075573267 564000503 /nfs/dbraw/zinc/00/05/03/564000503.db2.gz SOQMKLKGZPCDOS-CQSZACIVSA-N 1 2 326.400 3.543 50 0 EHAALO CCc1nc([C@H]2CCC[N@H+]2CCCc2nc3ccccc3o2)no1 ZINC000075573267 564000504 /nfs/dbraw/zinc/00/05/04/564000504.db2.gz SOQMKLKGZPCDOS-CQSZACIVSA-N 1 2 326.400 3.543 50 0 EHAALO C[C@H]1CCC[N@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000006381998 564013651 /nfs/dbraw/zinc/01/36/51/564013651.db2.gz KDELKZTYFSYDKU-ZDUSSCGKSA-N 1 2 339.464 3.884 50 0 EHAALO C[C@H]1CCC[N@@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000006381998 564013652 /nfs/dbraw/zinc/01/36/52/564013652.db2.gz KDELKZTYFSYDKU-ZDUSSCGKSA-N 1 2 339.464 3.884 50 0 EHAALO C[C@H](c1cccs1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045490571 564028481 /nfs/dbraw/zinc/02/84/81/564028481.db2.gz GWDCCGAQOIZNLK-CQSZACIVSA-N 1 2 344.484 3.646 50 0 EHAALO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc(-c2ccccc2F)o1 ZINC000048341978 564031227 /nfs/dbraw/zinc/03/12/27/564031227.db2.gz HGOCFDHYBNXAHF-UHFFFAOYSA-N 1 2 349.365 3.706 50 0 EHAALO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(Cl)s1 ZINC000018936125 564052732 /nfs/dbraw/zinc/05/27/32/564052732.db2.gz WSDLSABALICHIU-UHFFFAOYSA-N 1 2 338.860 3.871 50 0 EHAALO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(Cl)s1 ZINC000018936125 564052733 /nfs/dbraw/zinc/05/27/33/564052733.db2.gz WSDLSABALICHIU-UHFFFAOYSA-N 1 2 338.860 3.871 50 0 EHAALO Cc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccn2)c2ccccc2)cc1 ZINC000005934538 564057092 /nfs/dbraw/zinc/05/70/92/564057092.db2.gz WBVIBVAHXRJCQU-FQEVSTJZSA-N 1 2 331.419 3.860 50 0 EHAALO Cc1ccsc1/C=C/C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000044890754 564060584 /nfs/dbraw/zinc/06/05/84/564060584.db2.gz PZUNAGHPSWPJNR-GFOMBABLSA-N 1 2 337.448 3.709 50 0 EHAALO Cn1ncc2c1nc[nH+]c2N1CCCC[C@@H]1CCCc1ccccc1 ZINC000084310720 564067751 /nfs/dbraw/zinc/06/77/51/564067751.db2.gz ATTLJEDWGSORQP-QGZVFWFLSA-N 1 2 335.455 3.745 50 0 EHAALO c1c[nH+]c([C@@H]2CCCCN2c2ncnc3sc4c(c32)CCC4)[nH]1 ZINC000084613369 564069117 /nfs/dbraw/zinc/06/91/17/564069117.db2.gz BSWPVUCHGJRCOP-LBPRGKRZSA-N 1 2 325.441 3.635 50 0 EHAALO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014924198 564069868 /nfs/dbraw/zinc/06/98/68/564069868.db2.gz VKHZHNLKVSCUPT-QWHCGFSZSA-N 1 2 344.377 3.605 50 0 EHAALO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014924198 564069869 /nfs/dbraw/zinc/06/98/69/564069869.db2.gz VKHZHNLKVSCUPT-QWHCGFSZSA-N 1 2 344.377 3.605 50 0 EHAALO C[N@@H+](Cc1cccc(Cl)c1Cl)Cn1c(=O)oc2ccccc21 ZINC000012861674 564075805 /nfs/dbraw/zinc/07/58/05/564075805.db2.gz OVZPXVIWXMBNJC-UHFFFAOYSA-N 1 2 337.206 3.991 50 0 EHAALO C[N@H+](Cc1cccc(Cl)c1Cl)Cn1c(=O)oc2ccccc21 ZINC000012861674 564075806 /nfs/dbraw/zinc/07/58/06/564075806.db2.gz OVZPXVIWXMBNJC-UHFFFAOYSA-N 1 2 337.206 3.991 50 0 EHAALO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccsc1 ZINC000012904390 564077797 /nfs/dbraw/zinc/07/77/97/564077797.db2.gz DCHHFQMFOSDCNF-UHFFFAOYSA-N 1 2 328.359 3.837 50 0 EHAALO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccsc1 ZINC000012904390 564077798 /nfs/dbraw/zinc/07/77/98/564077798.db2.gz DCHHFQMFOSDCNF-UHFFFAOYSA-N 1 2 328.359 3.837 50 0 EHAALO CS[C@@H]1CC[C@H](N(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000078966708 564080806 /nfs/dbraw/zinc/08/08/06/564080806.db2.gz ACBKZMPPSNCWCP-LSDHHAIUSA-N 1 2 329.469 3.537 50 0 EHAALO Cc1cncc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000248921144 564086815 /nfs/dbraw/zinc/08/68/15/564086815.db2.gz KWJDBGFQSGTBSH-IRXDYDNUSA-N 1 2 336.357 3.717 50 0 EHAALO Cc1cncc(C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000248921144 564086816 /nfs/dbraw/zinc/08/68/16/564086816.db2.gz KWJDBGFQSGTBSH-IRXDYDNUSA-N 1 2 336.357 3.717 50 0 EHAALO Cc1nc(NCC2(c3ccccc3)CCCC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426405846 564093623 /nfs/dbraw/zinc/09/36/23/564093623.db2.gz YAUCOZXDXFQGMQ-KRWDZBQOSA-N 1 2 337.467 3.635 50 0 EHAALO Cc1cccnc1[C@H](NC(=O)c1ccc(-c2[nH+]ccn2C)cc1)C1CC1 ZINC000426510547 564093952 /nfs/dbraw/zinc/09/39/52/564093952.db2.gz ALUFQKUTRYKPMU-LJQANCHMSA-N 1 2 346.434 3.672 50 0 EHAALO O=C(CCc1cc[nH+]c(N2CCCC2)c1)NCc1cccc(Cl)c1 ZINC000065269704 564103784 /nfs/dbraw/zinc/10/37/84/564103784.db2.gz JKPYGTFWBLNMCQ-UHFFFAOYSA-N 1 2 343.858 3.584 50 0 EHAALO CCN(CC)c1cc(CCC(=O)NCc2cccc(Cl)c2)cc[nH+]1 ZINC000065270070 564103839 /nfs/dbraw/zinc/10/38/39/564103839.db2.gz LARXKLLXRHWYCP-UHFFFAOYSA-N 1 2 345.874 3.830 50 0 EHAALO Cc1ccc([C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C2CC2)cc1 ZINC000065475718 564106240 /nfs/dbraw/zinc/10/62/40/564106240.db2.gz VMUWLANGCCSQRX-FQEVSTJZSA-N 1 2 333.435 3.761 50 0 EHAALO C[C@@H](CCc1ccccc1)CC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000065537396 564107200 /nfs/dbraw/zinc/10/72/00/564107200.db2.gz IDIHFWGMXQOXOD-KRWDZBQOSA-N 1 2 348.450 3.543 50 0 EHAALO Cc1cc(SC(C)(C)C)ccc1NC(=O)NCCn1cc[nH+]c1 ZINC000071854038 564111375 /nfs/dbraw/zinc/11/13/75/564111375.db2.gz GFYRYZYSMQXYLQ-UHFFFAOYSA-N 1 2 332.473 3.904 50 0 EHAALO COc1ccc(COCc2cccc(NCc3[nH+]ccn3C)c2)cc1 ZINC000089761460 564113555 /nfs/dbraw/zinc/11/35/55/564113555.db2.gz MDPWGQHQYLPTRB-UHFFFAOYSA-N 1 2 337.423 3.758 50 0 EHAALO Cn1ncc2c1nc[nH+]c2SCC(=O)c1csc2ccccc12 ZINC000194529954 564121563 /nfs/dbraw/zinc/12/15/63/564121563.db2.gz DHWZMYKIOHENNG-UHFFFAOYSA-N 1 2 340.433 3.553 50 0 EHAALO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000007689764 564121953 /nfs/dbraw/zinc/12/19/53/564121953.db2.gz OOXLYOJDHCKKBW-ZDUSSCGKSA-N 1 2 331.485 3.566 50 0 EHAALO C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000007689764 564121954 /nfs/dbraw/zinc/12/19/54/564121954.db2.gz OOXLYOJDHCKKBW-ZDUSSCGKSA-N 1 2 331.485 3.566 50 0 EHAALO Cc1cc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c(C)c[nH+]1 ZINC000253417196 564130802 /nfs/dbraw/zinc/13/08/02/564130802.db2.gz CRNYXVXPQUTRTI-IEBWSBKVSA-N 1 2 339.439 3.818 50 0 EHAALO C[C@@H](Cc1nc2ccccc2s1)[N@H+](C)Cc1nccn1C(F)F ZINC000079326386 564138114 /nfs/dbraw/zinc/13/81/14/564138114.db2.gz HJDASNWUSDLZPU-NSHDSACASA-N 1 2 336.411 3.951 50 0 EHAALO C[C@@H](Cc1nc2ccccc2s1)[N@@H+](C)Cc1nccn1C(F)F ZINC000079326386 564138115 /nfs/dbraw/zinc/13/81/15/564138115.db2.gz HJDASNWUSDLZPU-NSHDSACASA-N 1 2 336.411 3.951 50 0 EHAALO CCCCc1[nH]c2ccc(NC(=O)c3cn(C)nc3SC)cc2[nH+]1 ZINC000095458338 564140692 /nfs/dbraw/zinc/14/06/92/564140692.db2.gz MZYPRTYAWTXUIZ-UHFFFAOYSA-N 1 2 343.456 3.613 50 0 EHAALO CSc1ccccc1C[C@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000095940862 564141997 /nfs/dbraw/zinc/14/19/97/564141997.db2.gz ZXMLMVWPHIDOSR-KSSFIOAISA-N 1 2 338.480 3.837 50 0 EHAALO CC(C)(C)Oc1ccccc1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000096407019 564147358 /nfs/dbraw/zinc/14/73/58/564147358.db2.gz SVKGIZFTTNIFTJ-CQSZACIVSA-N 1 2 342.443 3.999 50 0 EHAALO CC(C)c1ccc(-c2ncc(C[N@H+](C)CC(=O)NC3CC3)s2)cc1 ZINC000096954376 564149066 /nfs/dbraw/zinc/14/90/66/564149066.db2.gz YHVZWGSNHZENBJ-UHFFFAOYSA-N 1 2 343.496 3.644 50 0 EHAALO CC(C)c1ccc(-c2ncc(C[N@@H+](C)CC(=O)NC3CC3)s2)cc1 ZINC000096954376 564149067 /nfs/dbraw/zinc/14/90/67/564149067.db2.gz YHVZWGSNHZENBJ-UHFFFAOYSA-N 1 2 343.496 3.644 50 0 EHAALO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000057568040 564154964 /nfs/dbraw/zinc/15/49/64/564154964.db2.gz ARVQIPNBNKWKBB-ADLMAVQZSA-N 1 2 348.368 3.774 50 0 EHAALO O=C(CCc1ccccn1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000355396644 564159423 /nfs/dbraw/zinc/15/94/23/564159423.db2.gz CHPUVEPCCUQAPG-UHFFFAOYSA-N 1 2 346.434 3.853 50 0 EHAALO Cc1ccc2cc(C(=O)N(C)C3CCN(c4cccc[nH+]4)CC3)[nH]c2c1 ZINC000069419453 564169374 /nfs/dbraw/zinc/16/93/74/564169374.db2.gz DMKXIJKTWBOHGH-UHFFFAOYSA-N 1 2 348.450 3.612 50 0 EHAALO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cc(-c3ccccc3)no1)C2 ZINC000069619896 564170964 /nfs/dbraw/zinc/17/09/64/564170964.db2.gz ULYGJAKFZLSEKS-UHFFFAOYSA-N 1 2 336.439 3.757 50 0 EHAALO O=C(NCc1cn2ccccc2[nH+]1)c1sccc1SC(F)F ZINC000069632536 564171129 /nfs/dbraw/zinc/17/11/29/564171129.db2.gz ILOYJVKSBSSONB-UHFFFAOYSA-N 1 2 339.392 3.641 50 0 EHAALO CC(C)c1[nH+]c2c(n1C)CCN(Cc1coc(-c3cccs3)n1)C2 ZINC000069740972 564171906 /nfs/dbraw/zinc/17/19/06/564171906.db2.gz WOCMGZPMUXIRBM-UHFFFAOYSA-N 1 2 342.468 3.818 50 0 EHAALO Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2c1 ZINC000069771543 564172075 /nfs/dbraw/zinc/17/20/75/564172075.db2.gz KTQQUCLLRCTCHT-QGZVFWFLSA-N 1 2 334.423 3.525 50 0 EHAALO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1cccs1)C1CCCC1 ZINC000041402818 564173831 /nfs/dbraw/zinc/17/38/31/564173831.db2.gz ZNMUTBGTUIAIHU-CJNGLKHVSA-N 1 2 332.473 3.564 50 0 EHAALO C[N@@H+]1CCO[C@@H](c2nnc(-c3sc4ccccc4c3Cl)o2)C1 ZINC000521393864 1030600145 /nfs/dbraw/zinc/60/01/45/1030600145.db2.gz MDCBVTKMSGTLQD-SNVBAGLBSA-N 1 2 335.816 3.608 50 0 EHAALO C[N@H+]1CCO[C@@H](c2nnc(-c3sc4ccccc4c3Cl)o2)C1 ZINC000521393864 1030600158 /nfs/dbraw/zinc/60/01/58/1030600158.db2.gz MDCBVTKMSGTLQD-SNVBAGLBSA-N 1 2 335.816 3.608 50 0 EHAALO COCc1ccc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)o1 ZINC000679582610 1127472000 /nfs/dbraw/zinc/47/20/00/1127472000.db2.gz HVCRXQWXTPUCPE-SFHVURJKSA-N 1 2 329.444 3.905 50 0 EHAALO COCCn1ccnc1C[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000824466620 1131207058 /nfs/dbraw/zinc/20/70/58/1131207058.db2.gz YHRXDXHZKDLPQM-UHFFFAOYSA-N 1 2 335.451 3.829 50 0 EHAALO COCCn1ccnc1C[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000824466620 1131207063 /nfs/dbraw/zinc/20/70/63/1131207063.db2.gz YHRXDXHZKDLPQM-UHFFFAOYSA-N 1 2 335.451 3.829 50 0 EHAALO CN(C(=O)NC[C@H](c1ccc(Cl)cc1)n1cc[nH+]c1)C1CCCC1 ZINC000585114969 1137004080 /nfs/dbraw/zinc/00/40/80/1137004080.db2.gz HJNVNNOPRVRUNP-QGZVFWFLSA-N 1 2 346.862 3.710 50 0 EHAALO O=C(NCc1csc2c1CCCC2)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097679702 219046893 /nfs/dbraw/zinc/04/68/93/219046893.db2.gz MJNGSJWWOGBDTB-UHFFFAOYSA-N 1 2 337.448 3.947 50 0 EHAALO Fc1ccc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)cc1 ZINC000053536549 214188145 /nfs/dbraw/zinc/18/81/45/214188145.db2.gz FDAJDIGYJZNBRG-KRWDZBQOSA-N 1 2 339.414 3.883 50 0 EHAALO Fc1ccc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)cc1 ZINC000053536549 214188147 /nfs/dbraw/zinc/18/81/47/214188147.db2.gz FDAJDIGYJZNBRG-KRWDZBQOSA-N 1 2 339.414 3.883 50 0 EHAALO COc1ccc(CN2CCc3[nH+]c[nH]c3C2)cc1OCc1ccccc1 ZINC000097713580 219050874 /nfs/dbraw/zinc/05/08/74/219050874.db2.gz ACEYVFDUOZKAFX-UHFFFAOYSA-N 1 2 349.434 3.556 50 0 EHAALO COc1cccc(C[N@H+](C)Cc2nc3ccccc3s2)c1OC ZINC000056688336 214383538 /nfs/dbraw/zinc/38/35/38/214383538.db2.gz MLNRVXRLSWKTPH-UHFFFAOYSA-N 1 2 328.437 3.946 50 0 EHAALO COc1cccc(C[N@@H+](C)Cc2nc3ccccc3s2)c1OC ZINC000056688336 214383541 /nfs/dbraw/zinc/38/35/41/214383541.db2.gz MLNRVXRLSWKTPH-UHFFFAOYSA-N 1 2 328.437 3.946 50 0 EHAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccccc1Cl ZINC000004094502 210119152 /nfs/dbraw/zinc/11/91/52/210119152.db2.gz MJJYZLGVACSALK-CYBMUJFWSA-N 1 2 330.815 3.692 50 0 EHAALO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067723260 215195207 /nfs/dbraw/zinc/19/52/07/215195207.db2.gz OBYKEEUVLPTXBT-LBPRGKRZSA-N 1 2 333.819 3.587 50 0 EHAALO COc1ccccc1CCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000069067851 215357557 /nfs/dbraw/zinc/35/75/57/215357557.db2.gz LGXXYAGPUUIAKV-INIZCTEOSA-N 1 2 349.434 3.691 50 0 EHAALO COc1ccc(Cl)cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038849420 213227721 /nfs/dbraw/zinc/22/77/21/213227721.db2.gz HTFJFFCWIJCOMN-UHFFFAOYSA-N 1 2 341.798 3.846 50 0 EHAALO Cc1ccccc1OC[C@H](O)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000036103210 213066654 /nfs/dbraw/zinc/06/66/54/213066654.db2.gz IQFOQXUOHHVMJE-QGZVFWFLSA-N 1 2 341.407 3.623 50 0 EHAALO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccc3)no2)cn1 ZINC000072134443 216023897 /nfs/dbraw/zinc/02/38/97/216023897.db2.gz MVWATRITSRXOFG-QGZVFWFLSA-N 1 2 349.438 3.535 50 0 EHAALO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3)no2)cn1 ZINC000072134443 216023901 /nfs/dbraw/zinc/02/39/01/216023901.db2.gz MVWATRITSRXOFG-QGZVFWFLSA-N 1 2 349.438 3.535 50 0 EHAALO Cc1ccc(-c2nc3sccn3c2CN2CCn3c[nH+]cc3C2)cc1 ZINC000072157494 216046531 /nfs/dbraw/zinc/04/65/31/216046531.db2.gz LLQPXYOTAXRVCG-UHFFFAOYSA-N 1 2 349.463 3.584 50 0 EHAALO Oc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c(Cl)c1 ZINC000072173862 216065359 /nfs/dbraw/zinc/06/53/59/216065359.db2.gz OUTFXXZCNQJZSL-UHFFFAOYSA-N 1 2 334.822 3.503 50 0 EHAALO Cc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000023735185 212393400 /nfs/dbraw/zinc/39/34/00/212393400.db2.gz IADUDPZEXXUSQR-UHFFFAOYSA-N 1 2 340.448 3.761 50 0 EHAALO Cc1ccccc1C(NC(=O)CCc1c[nH+]cn1C)c1ccccc1C ZINC000193817678 240320550 /nfs/dbraw/zinc/32/05/50/240320550.db2.gz UNAZCLNAPLSURW-UHFFFAOYSA-N 1 2 347.462 3.875 50 0 EHAALO c1c(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)onc1-c1ccccc1 ZINC000215110483 241105138 /nfs/dbraw/zinc/10/51/38/241105138.db2.gz DHYCVJUDJVGLDJ-IBGZPJMESA-N 1 2 349.434 3.918 50 0 EHAALO c1c(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)onc1-c1ccccc1 ZINC000215110483 241105141 /nfs/dbraw/zinc/10/51/41/241105141.db2.gz DHYCVJUDJVGLDJ-IBGZPJMESA-N 1 2 349.434 3.918 50 0 EHAALO CCc1noc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000215315182 241117919 /nfs/dbraw/zinc/11/79/19/241117919.db2.gz BLASZWWEVNCWHY-HNNXBMFYSA-N 1 2 327.428 3.683 50 0 EHAALO CCc1noc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000215315182 241117921 /nfs/dbraw/zinc/11/79/21/241117921.db2.gz BLASZWWEVNCWHY-HNNXBMFYSA-N 1 2 327.428 3.683 50 0 EHAALO Cc1nn(C(C)C)c(C)c1C[N@H+](C)Cc1cnc(N2CCCC2)s1 ZINC000215541764 241131927 /nfs/dbraw/zinc/13/19/27/241131927.db2.gz ASYGFRBMZNYYNM-UHFFFAOYSA-N 1 2 347.532 3.770 50 0 EHAALO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)Cc1cnc(N2CCCC2)s1 ZINC000215541764 241131933 /nfs/dbraw/zinc/13/19/33/241131933.db2.gz ASYGFRBMZNYYNM-UHFFFAOYSA-N 1 2 347.532 3.770 50 0 EHAALO O=c1[nH]c(C[N@@H+]2CCC[C@@H]2c2cccs2)nc2cc(Cl)ccc12 ZINC000021866155 212255299 /nfs/dbraw/zinc/25/52/99/212255299.db2.gz JRBNZMOGHIVMDJ-CQSZACIVSA-N 1 2 345.855 3.975 50 0 EHAALO O=c1[nH]c(C[N@H+]2CCC[C@@H]2c2cccs2)nc2cc(Cl)ccc12 ZINC000021866155 212255302 /nfs/dbraw/zinc/25/53/02/212255302.db2.gz JRBNZMOGHIVMDJ-CQSZACIVSA-N 1 2 345.855 3.975 50 0 EHAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1coc(-c2ccccc2)n1 ZINC000021196842 212215157 /nfs/dbraw/zinc/21/51/57/212215157.db2.gz CGXRFVZJBHEBSD-CQSZACIVSA-N 1 2 348.406 3.532 50 0 EHAALO Cc1ccc(C)c(-n2cc(C[NH+]3CCOCC3)c(-c3ccccc3)n2)c1 ZINC000020167012 212108312 /nfs/dbraw/zinc/10/83/12/212108312.db2.gz HDGMVLKIVCMIIV-UHFFFAOYSA-N 1 2 347.462 3.988 50 0 EHAALO CCC(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000019928724 212085211 /nfs/dbraw/zinc/08/52/11/212085211.db2.gz JPBYWCJFNGYABA-UHFFFAOYSA-N 1 2 344.405 3.608 50 0 EHAALO COC(=O)[C@@H]1C[C@@H](Oc2ccc(Cl)cc2C2CCCCC2)C[NH2+]1 ZINC000019735852 212058911 /nfs/dbraw/zinc/05/89/11/212058911.db2.gz XGXYLMFBFOYIMB-ZBFHGGJFSA-N 1 2 337.847 3.670 50 0 EHAALO CC(C)(C)c1cc(C(=O)CC[NH+]2CCOCC2)cc(C(C)(C)C)c1O ZINC000019681989 212054126 /nfs/dbraw/zinc/05/41/26/212054126.db2.gz YKSDUVOHAYRVMV-UHFFFAOYSA-N 1 2 347.499 3.892 50 0 EHAALO COc1cccc(CN2CC[NH+](Cc3ccc(SC)cc3)CC2)c1 ZINC000019363312 212021269 /nfs/dbraw/zinc/02/12/69/212021269.db2.gz WWTNCOWVNRUMTB-UHFFFAOYSA-N 1 2 342.508 3.735 50 0 EHAALO CSc1nnc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000078776788 217120067 /nfs/dbraw/zinc/12/00/67/217120067.db2.gz ISDIMQYDHWWICO-NSHDSACASA-N 1 2 345.497 3.516 50 0 EHAALO CSc1nnc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000078776788 217120069 /nfs/dbraw/zinc/12/00/69/217120069.db2.gz ISDIMQYDHWWICO-NSHDSACASA-N 1 2 345.497 3.516 50 0 EHAALO Cn1cc[nH+]c1CN1CCCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000079014162 217174738 /nfs/dbraw/zinc/17/47/38/217174738.db2.gz MXQPXKSHSWZHBW-UHFFFAOYSA-N 1 2 342.443 3.572 50 0 EHAALO O=C(CCn1cc[nH+]c1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000080947324 217344645 /nfs/dbraw/zinc/34/46/45/217344645.db2.gz FPEHONAHGPDYPH-UHFFFAOYSA-N 1 2 342.786 3.753 50 0 EHAALO COc1c(C)c[nH+]c(CSc2nc3ccccc3c(=O)[nH]2)c1C ZINC000012463236 211389700 /nfs/dbraw/zinc/38/97/00/211389700.db2.gz VNVBLZCHPUPMDK-UHFFFAOYSA-N 1 2 327.409 3.648 50 0 biogenic,in-vitro EHAALO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000012317246 211344098 /nfs/dbraw/zinc/34/40/98/211344098.db2.gz AYRPWESYQGABES-MRXNPFEDSA-N 1 2 325.456 3.802 50 0 EHAALO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)cc1 ZINC000012317246 211344104 /nfs/dbraw/zinc/34/41/04/211344104.db2.gz AYRPWESYQGABES-MRXNPFEDSA-N 1 2 325.456 3.802 50 0 EHAALO CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(Cc3[nH]cc[nH+]3)C2)cc1 ZINC000012317246 211344110 /nfs/dbraw/zinc/34/41/10/211344110.db2.gz AYRPWESYQGABES-MRXNPFEDSA-N 1 2 325.456 3.802 50 0 EHAALO Cc1ccc(-c2n[nH]cc2C[N@@H+](Cc2nccn2C)C(C)C)cc1C ZINC000012303053 211339347 /nfs/dbraw/zinc/33/93/47/211339347.db2.gz JWCMYUXFLZRZTH-UHFFFAOYSA-N 1 2 337.471 3.838 50 0 EHAALO Cc1ccc(-c2n[nH]cc2C[N@H+](Cc2nccn2C)C(C)C)cc1C ZINC000012303053 211339351 /nfs/dbraw/zinc/33/93/51/211339351.db2.gz JWCMYUXFLZRZTH-UHFFFAOYSA-N 1 2 337.471 3.838 50 0 EHAALO O=C(C[C@H]1CCc2ccccc21)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000091586830 218025680 /nfs/dbraw/zinc/02/56/80/218025680.db2.gz VPAIRXWOXBDCHG-QGZVFWFLSA-N 1 2 335.451 3.605 50 0 EHAALO Cc1cc(NCc2c[nH+]cn2CC(C)C)nc(-c2ccccc2O)n1 ZINC000091915352 218088045 /nfs/dbraw/zinc/08/80/45/218088045.db2.gz OWZKHQGWYZXTLI-UHFFFAOYSA-N 1 2 337.427 3.622 50 0 EHAALO Cc1sc2[nH]c(Cn3cc[nH+]c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000010809619 211189405 /nfs/dbraw/zinc/18/94/05/211189405.db2.gz VNAMMLFQUQCMKZ-UHFFFAOYSA-N 1 2 336.420 3.513 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1F ZINC000010260910 211159004 /nfs/dbraw/zinc/15/90/04/211159004.db2.gz QYJYUTBIJYYSEC-MRXNPFEDSA-N 1 2 342.349 3.609 50 0 EHAALO CCC(=O)Nc1ccc(Nc2nc(N(CC)CC)cc(C)[nH+]2)cc1 ZINC000009573374 211102867 /nfs/dbraw/zinc/10/28/67/211102867.db2.gz CPPCSLVGFUXEHR-UHFFFAOYSA-N 1 2 327.432 3.723 50 0 EHAALO Cc1c(C)n(-c2nccs2)c2nc[nH+]c(NCc3cccnc3)c12 ZINC000009420320 211081244 /nfs/dbraw/zinc/08/12/44/211081244.db2.gz HQNXTKXARGHWDA-UHFFFAOYSA-N 1 2 336.424 3.501 50 0 EHAALO O=C(Cc1ccsc1)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095366020 218299647 /nfs/dbraw/zinc/29/96/47/218299647.db2.gz KPDSJJZXBHYDFS-QGZVFWFLSA-N 1 2 343.496 3.693 50 0 EHAALO Cc1c(C)n(-c2nccs2)c2nc[nH+]c(NCc3ccccn3)c12 ZINC000008990664 211027800 /nfs/dbraw/zinc/02/78/00/211027800.db2.gz IJRSWPAPEOTJFT-UHFFFAOYSA-N 1 2 336.424 3.501 50 0 EHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(C(C)C)on2)C1 ZINC000095381249 218314003 /nfs/dbraw/zinc/31/40/03/218314003.db2.gz UQTHNLUCLLFVSN-OAHLLOKOSA-N 1 2 344.459 3.814 50 0 EHAALO OCc1ccc(C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)o1 ZINC000095415613 218354194 /nfs/dbraw/zinc/35/41/94/218354194.db2.gz KNVSGAHSLRANTC-GOSISDBHSA-N 1 2 328.799 3.700 50 0 EHAALO COc1cc2c(cc1NC(=O)NCc1[nH]cc[nH+]1)oc1ccccc12 ZINC000095439436 218383186 /nfs/dbraw/zinc/38/31/86/218383186.db2.gz XMDSCXVVPSPEKK-UHFFFAOYSA-N 1 2 336.351 3.639 50 0 EHAALO Cc1ccc(C)c(Cn2cc[nH+]c2CN(C(=O)C2CC2)C(C)C)c1 ZINC000006690229 210681425 /nfs/dbraw/zinc/68/14/25/210681425.db2.gz KIJSCTCISWISND-UHFFFAOYSA-N 1 2 325.456 3.695 50 0 EHAALO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(c2ccccc2)CC1 ZINC000035945928 132390831 /nfs/dbraw/zinc/39/08/31/132390831.db2.gz CXGRWMLULHGNDS-INIZCTEOSA-N 1 2 333.435 3.561 50 0 EHAALO Cc1ccc(Cl)cc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000123383874 222267655 /nfs/dbraw/zinc/26/76/55/222267655.db2.gz WORCNIYZYZENBV-UHFFFAOYSA-N 1 2 331.847 3.704 50 0 EHAALO CC(=O)O[C@@H](COc1cccc(C)c1)Cn1c(C)[nH+]c2ccccc21 ZINC000000385964 563302568 /nfs/dbraw/zinc/30/25/68/563302568.db2.gz CRVUTLWCUHWTGB-GOSISDBHSA-N 1 2 338.407 3.664 50 0 EHAALO CC(C)N(C[C@@H]1CCC[N@H+](Cc2ccon2)C1)C(=O)OC(C)(C)C ZINC000071913990 563601593 /nfs/dbraw/zinc/60/15/93/563601593.db2.gz PCTPRUDZMQQVMT-OAHLLOKOSA-N 1 2 337.464 3.532 50 0 EHAALO CC(C)N(C[C@@H]1CCC[N@@H+](Cc2ccon2)C1)C(=O)OC(C)(C)C ZINC000071913990 563601594 /nfs/dbraw/zinc/60/15/94/563601594.db2.gz PCTPRUDZMQQVMT-OAHLLOKOSA-N 1 2 337.464 3.532 50 0 EHAALO COc1cccc([C@@H](C)[N@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000012582416 563663913 /nfs/dbraw/zinc/66/39/13/563663913.db2.gz IEKUPYYGMOPRGP-GFCCVEGCSA-N 1 2 329.425 4.000 50 0 EHAALO COc1cccc([C@@H](C)[N@@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000012582416 563663915 /nfs/dbraw/zinc/66/39/15/563663915.db2.gz IEKUPYYGMOPRGP-GFCCVEGCSA-N 1 2 329.425 4.000 50 0 EHAALO C[C@@H](C(=O)Nc1ccc(F)cc1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000012938768 563677711 /nfs/dbraw/zinc/67/77/11/563677711.db2.gz KEAWDAYPEAUKGT-LBPRGKRZSA-N 1 2 343.427 3.894 50 0 EHAALO C[C@@H](C(=O)Nc1ccc(F)cc1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000012938768 563677714 /nfs/dbraw/zinc/67/77/14/563677714.db2.gz KEAWDAYPEAUKGT-LBPRGKRZSA-N 1 2 343.427 3.894 50 0 EHAALO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1C ZINC000013040780 563686457 /nfs/dbraw/zinc/68/64/57/563686457.db2.gz POYFAMGEJGNSMC-UHFFFAOYSA-N 1 2 342.870 3.915 50 0 EHAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000015860727 563797130 /nfs/dbraw/zinc/79/71/30/563797130.db2.gz ARRLWXAGSSBRAK-CQSZACIVSA-N 1 2 330.815 3.746 50 0 EHAALO CCc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000016602625 563815729 /nfs/dbraw/zinc/81/57/29/563815729.db2.gz IHKKZBXZGFXWDR-RMKNXTFCSA-N 1 2 334.463 3.720 50 0 EHAALO Cc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CC2)cc1C ZINC000016903134 563825293 /nfs/dbraw/zinc/82/52/93/563825293.db2.gz YVIIIHSXLGCNRY-QGZVFWFLSA-N 1 2 336.435 3.970 50 0 EHAALO C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000032936640 563844999 /nfs/dbraw/zinc/84/49/99/563844999.db2.gz BELBJBQMAABHDK-ZDUSSCGKSA-N 1 2 341.798 3.932 50 0 EHAALO O=C(Cc1ccccc1Cl)N1CCc2[nH]c[nH+]c2C12CCCCC2 ZINC000065293154 563853558 /nfs/dbraw/zinc/85/35/58/563853558.db2.gz VQXJFFAWNYTUDX-UHFFFAOYSA-N 1 2 343.858 3.850 50 0 EHAALO O=C(Nc1ccccc1N1CCCCC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000024545537 563872555 /nfs/dbraw/zinc/87/25/55/563872555.db2.gz BZFDLXGDHKHYNR-UHFFFAOYSA-N 1 2 347.422 3.510 50 0 EHAALO Cc1ccccc1[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026303443 563890853 /nfs/dbraw/zinc/89/08/53/563890853.db2.gz SYYVGFQXJLSFKD-MRXNPFEDSA-N 1 2 338.455 3.551 50 0 EHAALO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(OC2CCCC2)cc1 ZINC000028875601 563904431 /nfs/dbraw/zinc/90/44/31/563904431.db2.gz UYACETXHRCQWBW-UHFFFAOYSA-N 1 2 335.407 3.586 50 0 EHAALO O=C(NCc1ccc(Cl)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000032912957 563914472 /nfs/dbraw/zinc/91/44/72/563914472.db2.gz UXLSZSUIQRILRW-UHFFFAOYSA-N 1 2 325.799 3.515 50 0 EHAALO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1cc2ccccc2o1 ZINC000058295664 563941986 /nfs/dbraw/zinc/94/19/86/563941986.db2.gz BBXCLWVCJIKUCI-CYBMUJFWSA-N 1 2 332.363 3.505 50 0 EHAALO COc1c(C[NH2+]Cc2coc(-c3cccs3)n2)c(C(C)C)nn1C ZINC000058426867 563946159 /nfs/dbraw/zinc/94/61/59/563946159.db2.gz YLASBUDMVBNCDL-UHFFFAOYSA-N 1 2 346.456 3.558 50 0 EHAALO CC(C)Cn1c[nH+]cc1CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071764115 563965503 /nfs/dbraw/zinc/96/55/03/563965503.db2.gz VCCXHFVYOYNSBZ-SFHVURJKSA-N 1 2 333.863 3.766 50 0 EHAALO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2Cl)C1 ZINC000090635900 563974958 /nfs/dbraw/zinc/97/49/58/563974958.db2.gz UQFCGECXOICQHY-LBPRGKRZSA-N 1 2 331.243 3.875 50 0 EHAALO C[C@@H](c1cccs1)[N@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000014137761 563983305 /nfs/dbraw/zinc/98/33/05/563983305.db2.gz GPOYPPJRNAWBEV-JTQLQIEISA-N 1 2 333.844 3.831 50 0 EHAALO C[C@@H](c1cccs1)[N@@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000014137761 563983306 /nfs/dbraw/zinc/98/33/06/563983306.db2.gz GPOYPPJRNAWBEV-JTQLQIEISA-N 1 2 333.844 3.831 50 0 EHAALO Cc1ccc2oc(-c3ccccc3)c/c(=N\CC[NH+]3CCOCC3)c2c1 ZINC000000148576 563987311 /nfs/dbraw/zinc/98/73/11/563987311.db2.gz HCAQUVWJPZYAIW-BSYVCWPDSA-N 1 2 348.446 3.641 50 0 EHAALO Cc1cc2[nH+]cn(C[C@H](O)COc3ccccc3Cl)c2cc1C ZINC000000446403 563997470 /nfs/dbraw/zinc/99/74/70/563997470.db2.gz XITJYSOCRYCLGA-AWEZNQCLSA-N 1 2 330.815 3.746 50 0 EHAALO CC(=O)c1cnn(-c2cc(N[C@@H](C)c3ccccc3)[nH+]c(C)n2)c1C ZINC000005389316 564003483 /nfs/dbraw/zinc/00/34/83/564003483.db2.gz TYKWCAWHDIIHLZ-LBPRGKRZSA-N 1 2 335.411 3.655 50 0 EHAALO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000017367368 564011755 /nfs/dbraw/zinc/01/17/55/564011755.db2.gz AFYHRJYMTOXWND-LBPRGKRZSA-N 1 2 343.377 3.754 50 0 EHAALO Cc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000103956856 564023449 /nfs/dbraw/zinc/02/34/49/564023449.db2.gz ZBWYZPZJBDUTPK-HUUCEWRRSA-N 1 2 328.481 3.853 50 0 EHAALO Cc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000103956856 564023450 /nfs/dbraw/zinc/02/34/50/564023450.db2.gz ZBWYZPZJBDUTPK-HUUCEWRRSA-N 1 2 328.481 3.853 50 0 EHAALO O=C(N[C@@H]1CCSc2ccccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044911187 564027681 /nfs/dbraw/zinc/02/76/81/564027681.db2.gz FDQZECGVAPQMHO-GOSISDBHSA-N 1 2 349.459 3.898 50 0 EHAALO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cccs1 ZINC000044966597 564027940 /nfs/dbraw/zinc/02/79/40/564027940.db2.gz FRXLTVAPVFOBAA-CQSZACIVSA-N 1 2 344.484 3.694 50 0 EHAALO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc([S@@](C)=O)cc1 ZINC000128907008 564053243 /nfs/dbraw/zinc/05/32/43/564053243.db2.gz KJMVCULGRFMMDT-QHCPKHFHSA-N 1 2 331.416 3.545 50 0 EHAALO CC(C)[C@H](NC(=O)N(C)Cc1ccccc1Cl)c1[nH+]ccn1C ZINC000534584811 564061152 /nfs/dbraw/zinc/06/11/52/564061152.db2.gz SRCIVZIJBIUWAV-HNNXBMFYSA-N 1 2 334.851 3.612 50 0 EHAALO Cn1c(-c2cccs2)nn(C[N@H+](C)Cc2ccccc2)c1=S ZINC000012813552 564073033 /nfs/dbraw/zinc/07/30/33/564073033.db2.gz FHPGMUNYUXSMDG-UHFFFAOYSA-N 1 2 330.482 3.769 50 0 EHAALO Cn1c(-c2cccs2)nn(C[N@@H+](C)Cc2ccccc2)c1=S ZINC000012813552 564073034 /nfs/dbraw/zinc/07/30/34/564073034.db2.gz FHPGMUNYUXSMDG-UHFFFAOYSA-N 1 2 330.482 3.769 50 0 EHAALO O=C(Nc1cc(-c2ccccc2)ns1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000075142149 564080691 /nfs/dbraw/zinc/08/06/91/564080691.db2.gz DPGFEEARDHZLPR-UHFFFAOYSA-N 1 2 347.403 3.643 50 0 EHAALO CS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000078966701 564080798 /nfs/dbraw/zinc/08/07/98/564080798.db2.gz ACBKZMPPSNCWCP-HUUCEWRRSA-N 1 2 329.469 3.537 50 0 EHAALO C[C@@H](c1nc2ccccc2o1)[N@@H+](Cc1cccnc1)C[C@H]1CCCO1 ZINC000241693999 564088411 /nfs/dbraw/zinc/08/84/11/564088411.db2.gz QJOSPSPCOTWACS-DOTOQJQBSA-N 1 2 337.423 3.965 50 0 EHAALO C[C@@H](c1nc2ccccc2o1)[N@H+](Cc1cccnc1)C[C@H]1CCCO1 ZINC000241693999 564088412 /nfs/dbraw/zinc/08/84/12/564088412.db2.gz QJOSPSPCOTWACS-DOTOQJQBSA-N 1 2 337.423 3.965 50 0 EHAALO Cc1nc(Cl)ccc1C[N@H+](C)Cc1nc(C)c2ccccc2n1 ZINC000089536924 564092749 /nfs/dbraw/zinc/09/27/49/564092749.db2.gz WPYMNQJFRXYENR-UHFFFAOYSA-N 1 2 326.831 3.927 50 0 EHAALO Cc1nc(Cl)ccc1C[N@@H+](C)Cc1nc(C)c2ccccc2n1 ZINC000089536924 564092750 /nfs/dbraw/zinc/09/27/50/564092750.db2.gz WPYMNQJFRXYENR-UHFFFAOYSA-N 1 2 326.831 3.927 50 0 EHAALO Cc1[nH+]cccc1-n1cccc1C(=O)NCc1ccccc1Cl ZINC000064658857 564094749 /nfs/dbraw/zinc/09/47/49/564094749.db2.gz QGEZZKGOEMAJSB-UHFFFAOYSA-N 1 2 325.799 3.764 50 0 EHAALO C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[NH+]1CCCC1 ZINC000006648063 564095280 /nfs/dbraw/zinc/09/52/80/564095280.db2.gz JVXPVILPLSWRKG-GFCCVEGCSA-N 1 2 325.437 3.808 50 0 EHAALO O=C(NCCCn1cc[nH+]c1)c1sc2cccc(F)c2c1Cl ZINC000006974399 564102605 /nfs/dbraw/zinc/10/26/05/564102605.db2.gz WFGSMGOBPKPFHM-UHFFFAOYSA-N 1 2 337.807 3.710 50 0 EHAALO Cc1c(-c2cc(COc3cc(C)[nH+]c4ccccc43)on2)cnn1C ZINC000170090608 564105441 /nfs/dbraw/zinc/10/54/41/564105441.db2.gz XEGGKLCQZKQPKD-UHFFFAOYSA-N 1 2 334.379 3.819 50 0 EHAALO CCc1c(C(=O)COc2ccc(C)[nH+]c2CC)[nH]c(C)c1C(C)=O ZINC000170608225 564109712 /nfs/dbraw/zinc/10/97/12/564109712.db2.gz OFQLZWASIBIQDE-UHFFFAOYSA-N 1 2 328.412 3.616 50 0 EHAALO CCO[C@H](C)c1nc(C[N@H+](C)Cc2cccc(N(C)C)c2)cs1 ZINC000075888216 564113283 /nfs/dbraw/zinc/11/32/83/564113283.db2.gz GDMJLCAPPQCHRA-CQSZACIVSA-N 1 2 333.501 3.939 50 0 EHAALO CCO[C@H](C)c1nc(C[N@@H+](C)Cc2cccc(N(C)C)c2)cs1 ZINC000075888216 564113284 /nfs/dbraw/zinc/11/32/84/564113284.db2.gz GDMJLCAPPQCHRA-CQSZACIVSA-N 1 2 333.501 3.939 50 0 EHAALO Cc1cc(Cl)ccc1N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1=O ZINC000037519706 564122268 /nfs/dbraw/zinc/12/22/68/564122268.db2.gz KNESXCSAECSUER-HNNXBMFYSA-N 1 2 328.843 3.886 50 0 EHAALO Cc1cc(Cl)ccc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1=O ZINC000037519706 564122269 /nfs/dbraw/zinc/12/22/69/564122269.db2.gz KNESXCSAECSUER-HNNXBMFYSA-N 1 2 328.843 3.886 50 0 EHAALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1cccc(Cl)c1 ZINC000007878934 564124307 /nfs/dbraw/zinc/12/43/07/564124307.db2.gz FYQKCMAZPVAYPY-GFCCVEGCSA-N 1 2 334.872 3.637 50 0 EHAALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1cccc(Cl)c1 ZINC000007878934 564124308 /nfs/dbraw/zinc/12/43/08/564124308.db2.gz FYQKCMAZPVAYPY-GFCCVEGCSA-N 1 2 334.872 3.637 50 0 EHAALO CCn1c(=S)n(C[NH+]2CCCCCC2)nc1-c1cccc(OC)c1 ZINC000013073566 564135997 /nfs/dbraw/zinc/13/59/97/564135997.db2.gz VQGCJXLUQOTTCB-UHFFFAOYSA-N 1 2 346.500 3.943 50 0 EHAALO CC(C)n1c(C(=O)NCCc2c[nH+]c[nH]2)cc2cc(Cl)ccc21 ZINC000095472498 564141266 /nfs/dbraw/zinc/14/12/66/564141266.db2.gz AVKPPORYEHFDBD-UHFFFAOYSA-N 1 2 330.819 3.571 50 0 EHAALO CC(C)n1c(C(=O)NCCc2c[nH]c[nH+]2)cc2cc(Cl)ccc21 ZINC000095472498 564141267 /nfs/dbraw/zinc/14/12/67/564141267.db2.gz AVKPPORYEHFDBD-UHFFFAOYSA-N 1 2 330.819 3.571 50 0 EHAALO O=C(NCc1[nH]cc[nH+]1)Nc1cccc(-c2c(F)cccc2F)c1 ZINC000095982795 564143721 /nfs/dbraw/zinc/14/37/21/564143721.db2.gz PZGFCMDAWGOMCT-UHFFFAOYSA-N 1 2 328.322 3.677 50 0 EHAALO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1nnc(-c2ccc(F)cc2)o1 ZINC000095984483 564143862 /nfs/dbraw/zinc/14/38/62/564143862.db2.gz BHJBDSRMMACIBS-NSHDSACASA-N 1 2 345.349 3.874 50 0 EHAALO Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000031939729 564160261 /nfs/dbraw/zinc/16/02/61/564160261.db2.gz IMQOMQIHXNRGIA-SFHVURJKSA-N 1 2 332.407 3.553 50 0 EHAALO C[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007986184 564161837 /nfs/dbraw/zinc/16/18/37/564161837.db2.gz MDTBNFMMMOEYOO-ZDUSSCGKSA-N 1 2 337.448 3.914 50 0 EHAALO Cc1cc(C)n2c(nc(=S)n2C[N@@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000008114055 564162733 /nfs/dbraw/zinc/16/27/33/564162733.db2.gz ZEIJLSVSOCWWHP-CYBMUJFWSA-N 1 2 345.497 3.733 50 0 EHAALO Cc1cc(C)n2c(nc(=S)n2C[N@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000008114055 564162734 /nfs/dbraw/zinc/16/27/34/564162734.db2.gz ZEIJLSVSOCWWHP-CYBMUJFWSA-N 1 2 345.497 3.733 50 0 EHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(C3CC3)n(C)c2=S)cc1 ZINC000008734108 564167056 /nfs/dbraw/zinc/16/70/56/564167056.db2.gz ANYBFOMYYDGDJS-INIZCTEOSA-N 1 2 344.484 3.632 50 0 EHAALO COc1ccc([C@@H]2CCC[N@H+]2Cn2nc(C3CC3)n(C)c2=S)cc1 ZINC000008734108 564167057 /nfs/dbraw/zinc/16/70/57/564167057.db2.gz ANYBFOMYYDGDJS-INIZCTEOSA-N 1 2 344.484 3.632 50 0 EHAALO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(F)cccc2F)c1 ZINC000008749467 564167246 /nfs/dbraw/zinc/16/72/46/564167246.db2.gz OJXBORGPIMAIRG-QGZVFWFLSA-N 1 2 346.377 3.749 50 0 EHAALO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(F)cccc2F)c1 ZINC000008749467 564167247 /nfs/dbraw/zinc/16/72/47/564167247.db2.gz OJXBORGPIMAIRG-QGZVFWFLSA-N 1 2 346.377 3.749 50 0 EHAALO O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069631933 564171115 /nfs/dbraw/zinc/17/11/15/564171115.db2.gz XRHVSDPXBTWNDI-SFHVURJKSA-N 1 2 349.434 3.939 50 0 EHAALO Cc1ccc2nc(C)cc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000069657064 564171213 /nfs/dbraw/zinc/17/12/13/564171213.db2.gz MYMAKMXMBJRQMA-MRXNPFEDSA-N 1 2 334.423 3.525 50 0 EHAALO O=C(c1csc(-c2cccs2)n1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069900961 564172756 /nfs/dbraw/zinc/17/27/56/564172756.db2.gz DDAFLQVUCWNFMS-LBPRGKRZSA-N 1 2 344.465 3.545 50 0 EHAALO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069917436 564172801 /nfs/dbraw/zinc/17/28/01/564172801.db2.gz PCTVQHAOJLBZGA-QGZVFWFLSA-N 1 2 336.439 3.551 50 0 EHAALO O=C(C[N@H+]1CCCC[C@@H]1c1cccc(F)c1)NCc1cccs1 ZINC000252502181 568419075 /nfs/dbraw/zinc/41/90/75/568419075.db2.gz UNDMMNFSKXXZQY-QGZVFWFLSA-N 1 2 332.444 3.731 50 0 EHAALO O=C(C[N@@H+]1CCCC[C@@H]1c1cccc(F)c1)NCc1cccs1 ZINC000252502181 568419077 /nfs/dbraw/zinc/41/90/77/568419077.db2.gz UNDMMNFSKXXZQY-QGZVFWFLSA-N 1 2 332.444 3.731 50 0 EHAALO Cc1csc(C[N@@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000093791685 1029668638 /nfs/dbraw/zinc/66/86/38/1029668638.db2.gz DQXKVVFOTCJZPU-QGZVFWFLSA-N 1 2 332.469 3.641 50 0 EHAALO Cc1csc(C[N@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000093791685 1029668643 /nfs/dbraw/zinc/66/86/43/1029668643.db2.gz DQXKVVFOTCJZPU-QGZVFWFLSA-N 1 2 332.469 3.641 50 0 EHAALO Cc1ccncc1CCC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000368039026 1127512434 /nfs/dbraw/zinc/51/24/34/1127512434.db2.gz DWYJEFYNLUOPPB-IBGZPJMESA-N 1 2 332.394 3.674 50 0 EHAALO Cc1ccncc1CCC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000368039026 1127512437 /nfs/dbraw/zinc/51/24/37/1127512437.db2.gz DWYJEFYNLUOPPB-IBGZPJMESA-N 1 2 332.394 3.674 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000581807727 1132370918 /nfs/dbraw/zinc/37/09/18/1132370918.db2.gz MVCVEVABXTWELS-FQEVSTJZSA-N 1 2 345.446 3.875 50 0 EHAALO Cc1cc(C[NH+]2CCOCC2)cc(C)c1OCc1ncc(C2CC2)o1 ZINC000585123063 1137011802 /nfs/dbraw/zinc/01/18/02/1137011802.db2.gz SQWBKMWNYGPLCS-UHFFFAOYSA-N 1 2 342.439 3.580 50 0 EHAALO COc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)CC(C)(C)C2CC2)CC1 ZINC000952845300 1137482480 /nfs/dbraw/zinc/48/24/80/1137482480.db2.gz QNZYFWWJGIELFD-MRXNPFEDSA-N 1 2 344.499 3.727 50 0 EHAALO O=C(CC[C@H]1CCCO1)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000053547441 214187439 /nfs/dbraw/zinc/18/74/39/214187439.db2.gz PEBXOJXRDRFFOE-QGZVFWFLSA-N 1 2 339.439 3.784 50 0 EHAALO Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000055441191 214323323 /nfs/dbraw/zinc/32/33/23/214323323.db2.gz BSASZYICAZIMBK-QGZVFWFLSA-N 1 2 341.846 3.584 50 0 EHAALO COC(=O)Nc1ccc(CNc2cc(C)[nH+]c(-c3ccncc3)n2)cc1 ZINC000057827230 214455375 /nfs/dbraw/zinc/45/53/75/214455375.db2.gz OQARLSQKHSMFFI-UHFFFAOYSA-N 1 2 349.394 3.637 50 0 EHAALO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H](c2ccccc2)CC1 ZINC000066763936 215077583 /nfs/dbraw/zinc/07/75/83/215077583.db2.gz GTJNCAXDRRUVFP-SFHVURJKSA-N 1 2 346.434 3.677 50 0 EHAALO c1cn(CCCn2cc[nH+]c2)c(-c2cnc(-c3ccccc3)s2)n1 ZINC000067908016 215247676 /nfs/dbraw/zinc/24/76/76/215247676.db2.gz OAOPRPRAFVDNLI-UHFFFAOYSA-N 1 2 335.436 3.960 50 0 EHAALO CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1nnc2ccccn21 ZINC000069172762 215367528 /nfs/dbraw/zinc/36/75/28/215367528.db2.gz FNWQXIUQZFSHQZ-QGZVFWFLSA-N 1 2 336.439 3.854 50 0 EHAALO CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]1c1nnc2ccccn21 ZINC000069172762 215367531 /nfs/dbraw/zinc/36/75/31/215367531.db2.gz FNWQXIUQZFSHQZ-QGZVFWFLSA-N 1 2 336.439 3.854 50 0 EHAALO Cc1cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)nc(C2CC2)[nH+]1 ZINC000183968074 235274321 /nfs/dbraw/zinc/27/43/21/235274321.db2.gz YHQZVBOSMJQSAE-MRXNPFEDSA-N 1 2 329.831 3.894 50 0 EHAALO Cc1ccc(-c2csc3[nH]c(C[NH+]4CCCC4)nc(=O)c23)cc1 ZINC000036203779 213076516 /nfs/dbraw/zinc/07/65/16/213076516.db2.gz SCBOOVZVFSAGNT-UHFFFAOYSA-N 1 2 325.437 3.556 50 0 EHAALO Cc1cc(CNc2nc(C3CCCC3)nc3c2cnn3C)c[nH+]c1C ZINC000072132898 216021803 /nfs/dbraw/zinc/02/18/03/216021803.db2.gz DPRNZMONDGRVOH-UHFFFAOYSA-N 1 2 336.443 3.645 50 0 EHAALO CC(=O)c1cccc(-n2cc[nH+]c2-c2ccc(Cn3cccn3)cc2)c1 ZINC000072150862 216039809 /nfs/dbraw/zinc/03/98/09/216039809.db2.gz DIHQMRGYCVBVHT-UHFFFAOYSA-N 1 2 342.402 3.987 50 0 EHAALO Cc1cc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)ccc1Cl ZINC000129775220 223091360 /nfs/dbraw/zinc/09/13/60/223091360.db2.gz QCRSKZUDKSMTKE-UHFFFAOYSA-N 1 2 331.847 3.704 50 0 EHAALO C[C@@H](CC(=O)N1CCc2[nH]c3c(cccc3Cl)c2C1)n1cc[nH+]c1 ZINC000072456705 216242003 /nfs/dbraw/zinc/24/20/03/216242003.db2.gz UGJOOXWRUYGTLE-LBPRGKRZSA-N 1 2 342.830 3.554 50 0 EHAALO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-c2ccsc2)cc1 ZINC000206826215 241051892 /nfs/dbraw/zinc/05/18/92/241051892.db2.gz ZAMPAHMQSPQOIF-GOSISDBHSA-N 1 2 349.459 3.819 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(F)cc1)[NH+]1CCCCC1)S2 ZINC000020216020 212112567 /nfs/dbraw/zinc/11/25/67/212112567.db2.gz MITBRDWKVSIAEP-CQSZACIVSA-N 1 2 346.431 3.519 50 0 EHAALO COCC(=O)Nc1ccc(Cl)c(-n2cc[nH+]c2[C@H]2CC=CCC2)c1 ZINC000077356654 216881729 /nfs/dbraw/zinc/88/17/29/216881729.db2.gz NNNGRBOZOKHRRL-ZDUSSCGKSA-N 1 2 345.830 3.934 50 0 EHAALO Cc1[nH]c([C@H]2CC(=O)N(C(C)(C)C)C2)[nH+]c1-c1ccc(F)cc1F ZINC000019956810 212089749 /nfs/dbraw/zinc/08/97/49/212089749.db2.gz RLWSXKFYPIQZKX-NSHDSACASA-N 1 2 333.382 3.778 50 0 EHAALO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc2ccccc2n1 ZINC000079255733 217203475 /nfs/dbraw/zinc/20/34/75/217203475.db2.gz RDUUHJMJNLZWOA-UHFFFAOYSA-N 1 2 346.434 3.550 50 0 EHAALO Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012549667 211406436 /nfs/dbraw/zinc/40/64/36/211406436.db2.gz OAIQDKKTWACLJG-DLBZAZTESA-N 1 2 349.434 3.825 50 0 EHAALO Cc1cc(C(=O)OCc2cn3cccc(C)c3[nH+]2)c2ccccc2n1 ZINC000012520019 211396066 /nfs/dbraw/zinc/39/60/66/211396066.db2.gz GDLXXFISBMJGMJ-UHFFFAOYSA-N 1 2 331.375 3.856 50 0 EHAALO Cc1ccccc1/C=C/C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000012506972 211395409 /nfs/dbraw/zinc/39/54/09/211395409.db2.gz NGEXGXORUKVJBT-SJFMBGHLSA-N 1 2 331.419 3.648 50 0 EHAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1oc2cc(OC)ccc2c1C ZINC000091603300 218030401 /nfs/dbraw/zinc/03/04/01/218030401.db2.gz HRZZNLLITSDEFT-UHFFFAOYSA-N 1 2 341.411 3.536 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000091679035 218047094 /nfs/dbraw/zinc/04/70/94/218047094.db2.gz PVWQQHNWQYGWCR-SFHVURJKSA-N 1 2 348.450 3.714 50 0 EHAALO CCn1cc[nH+]c1CN(C)c1nncc(-c2ccc3ccccc3c2)n1 ZINC000011663542 211230458 /nfs/dbraw/zinc/23/04/58/211230458.db2.gz ZYELNCSGUPVINM-UHFFFAOYSA-N 1 2 344.422 3.545 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 ZINC000091997951 218101677 /nfs/dbraw/zinc/10/16/77/218101677.db2.gz CPPWSSKSLIDNNC-ZDUSSCGKSA-N 1 2 347.846 3.585 50 0 EHAALO CC(C)Nc1nnc(SCc2cn3cc(Cl)ccc3[nH+]2)s1 ZINC000011021918 211200731 /nfs/dbraw/zinc/20/07/31/211200731.db2.gz LPMVYJVFJYJHKV-UHFFFAOYSA-N 1 2 339.877 3.952 50 0 EHAALO O=C(N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1ccc(Cl)cc1 ZINC000010644023 211183685 /nfs/dbraw/zinc/18/36/85/211183685.db2.gz MNIARBXCTFSPNC-INIZCTEOSA-N 1 2 325.799 3.777 50 0 EHAALO Cc1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000010260913 211158642 /nfs/dbraw/zinc/15/86/42/211158642.db2.gz LRCPKUGVGDXFKJ-QGZVFWFLSA-N 1 2 338.386 3.779 50 0 EHAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1F)[N@@H+]1CCc2sccc2C1 ZINC000010341975 211167009 /nfs/dbraw/zinc/16/70/09/211167009.db2.gz KDRALVUQZBDSCF-JTQLQIEISA-N 1 2 338.835 3.926 50 0 EHAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1F)[N@H+]1CCc2sccc2C1 ZINC000010341975 211167013 /nfs/dbraw/zinc/16/70/13/211167013.db2.gz KDRALVUQZBDSCF-JTQLQIEISA-N 1 2 338.835 3.926 50 0 EHAALO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cscn2)CC1 ZINC000093022070 218187840 /nfs/dbraw/zinc/18/78/40/218187840.db2.gz PCNTWDNJAZYPHL-UHFFFAOYSA-N 1 2 340.452 3.533 50 0 EHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(Cc2nc(C(C)C)no2)C1 ZINC000095388685 218320775 /nfs/dbraw/zinc/32/07/75/218320775.db2.gz PLALPZYRLCWTGM-HNNXBMFYSA-N 1 2 331.464 3.569 50 0 EHAALO CCCCn1ccnc1[C@H]1CCC[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000095388685 218320778 /nfs/dbraw/zinc/32/07/78/218320778.db2.gz PLALPZYRLCWTGM-HNNXBMFYSA-N 1 2 331.464 3.569 50 0 EHAALO CCCCn1ccnc1[C@H]1CCC[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000095388685 218320780 /nfs/dbraw/zinc/32/07/80/218320780.db2.gz PLALPZYRLCWTGM-HNNXBMFYSA-N 1 2 331.464 3.569 50 0 EHAALO Cc1ccc(C[N@H+](Cc2ccco2)Cc2cc(=O)c(O)co2)s1 ZINC000095398972 218331391 /nfs/dbraw/zinc/33/13/91/218331391.db2.gz DXVZBRMICLWFTP-UHFFFAOYSA-N 1 2 331.393 3.511 50 0 EHAALO Cc1ccc(C[N@@H+](Cc2ccco2)Cc2cc(=O)c(O)co2)s1 ZINC000095398972 218331393 /nfs/dbraw/zinc/33/13/93/218331393.db2.gz DXVZBRMICLWFTP-UHFFFAOYSA-N 1 2 331.393 3.511 50 0 EHAALO CCCCn1cc[nH+]c1-c1cccc(NC(=O)C2CCOCC2)c1 ZINC000095418714 218358585 /nfs/dbraw/zinc/35/85/85/218358585.db2.gz ZKFHTBVCVSWULC-UHFFFAOYSA-N 1 2 327.428 3.715 50 0 EHAALO C[C@H]1CCN(C(=O)Nc2cccc3cccnc32)C[C@@H]1n1cc[nH+]c1 ZINC000095412943 218350907 /nfs/dbraw/zinc/35/09/07/218350907.db2.gz MZSJXBWJPHOZQV-YOEHRIQHSA-N 1 2 335.411 3.546 50 0 EHAALO Cc1cc2[nH]c(CCC(=O)N(C)CCC[C@@H]3CCCO3)[nH+]c2cc1C ZINC000299791089 258097084 /nfs/dbraw/zinc/09/70/84/258097084.db2.gz DBQPESBVDRCREZ-MRXNPFEDSA-N 1 2 343.471 3.530 50 0 EHAALO Cc1cc(NC(=O)N(C)CCCc2[nH+]ccn2C)c(Cl)cc1F ZINC000299802046 258104598 /nfs/dbraw/zinc/10/45/98/258104598.db2.gz WCHAYXXLUUPEBC-UHFFFAOYSA-N 1 2 338.814 3.618 50 0 EHAALO O=C(Nc1ccc(F)c(Cl)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020137728 258057289 /nfs/dbraw/zinc/05/72/89/258057289.db2.gz XSXLIYAHYLSWBQ-UHFFFAOYSA-N 1 2 348.805 3.564 50 0 EHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cccc(F)c1 ZINC000040122085 258059679 /nfs/dbraw/zinc/05/96/79/258059679.db2.gz LRLNVADBFNRPJY-UHFFFAOYSA-N 1 2 327.403 3.531 50 0 EHAALO OC1(c2ccccc2)CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000191501287 534342930 /nfs/dbraw/zinc/34/29/30/534342930.db2.gz MYCWFSPCGJSIPO-UHFFFAOYSA-N 1 2 336.229 3.526 50 0 EHAALO CC(C)[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1F ZINC000184002913 529106115 /nfs/dbraw/zinc/10/61/15/529106115.db2.gz KAELZGKMATYBOS-SJCJKPOMSA-N 1 2 349.837 3.752 50 0 EHAALO COc1ccccc1OC1C[NH+](Cc2ccc([C@H]3CCCO3)s2)C1 ZINC000216467755 537087823 /nfs/dbraw/zinc/08/78/23/537087823.db2.gz USWTYPXKYBGQKG-GOSISDBHSA-N 1 2 345.464 3.871 50 0 EHAALO COc1ccccc1OC1C[NH+](Cc2ccc([C@@H]3CCCO3)s2)C1 ZINC000216467717 537088037 /nfs/dbraw/zinc/08/80/37/537088037.db2.gz USWTYPXKYBGQKG-SFHVURJKSA-N 1 2 345.464 3.871 50 0 EHAALO Cc1cc(N)nc(SCc2ccc(F)c(Br)c2)[nH+]1 ZINC000048374641 564031663 /nfs/dbraw/zinc/03/16/63/564031663.db2.gz CXVFJUSYJYEIRQ-UHFFFAOYSA-N 1 2 328.210 3.561 50 0 EHAALO Clc1ccc(Cn2ncc3c2nc[nH+]c3N2CCCCC2)cc1 ZINC000000352622 563290136 /nfs/dbraw/zinc/29/01/36/563290136.db2.gz UKCZSEHKOUXPBJ-UHFFFAOYSA-N 1 2 327.819 3.518 50 0 EHAALO O=C(CNc1ccccc1Oc1cc[nH+]cc1)NCc1cccs1 ZINC000071896927 563492953 /nfs/dbraw/zinc/49/29/53/563492953.db2.gz RLCRIWSLDZCWSC-UHFFFAOYSA-N 1 2 339.420 3.664 50 0 EHAALO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)o1 ZINC000097373667 563599248 /nfs/dbraw/zinc/59/92/48/563599248.db2.gz IRDHNKDHYZVJMY-VXGBXAGGSA-N 1 2 343.406 3.677 50 0 EHAALO CC1CCN(c2[nH+]cnc3c2cnn3Cc2ccccc2Cl)CC1 ZINC000010490892 563648438 /nfs/dbraw/zinc/64/84/38/563648438.db2.gz YDNMEOPRBRYCEV-UHFFFAOYSA-N 1 2 341.846 3.764 50 0 EHAALO C[C@H](c1ccc(Cl)cc1Cl)N(C)c1[nH+]cnc2c1cnn2C ZINC000012971771 563679243 /nfs/dbraw/zinc/67/92/43/563679243.db2.gz XJJKQWDPBZYQDX-SECBINFHSA-N 1 2 336.226 3.868 50 0 EHAALO O=C(NCCCn1cc[nH+]c1)c1sc2cc(F)ccc2c1Cl ZINC000013745288 563720224 /nfs/dbraw/zinc/72/02/24/563720224.db2.gz DWKTWQLIHBJLDY-UHFFFAOYSA-N 1 2 337.807 3.710 50 0 EHAALO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(C)cc3)no2)cc1F ZINC000014109064 563741288 /nfs/dbraw/zinc/74/12/88/563741288.db2.gz PMLMZASJJAOXPX-UHFFFAOYSA-N 1 2 341.386 3.825 50 0 EHAALO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(C)cc3)no2)cc1F ZINC000014109064 563741291 /nfs/dbraw/zinc/74/12/91/563741291.db2.gz PMLMZASJJAOXPX-UHFFFAOYSA-N 1 2 341.386 3.825 50 0 EHAALO COc1ccc(-c2nn(C[N@H+](C)C3CCCC3)c(=S)o2)c(OC)c1 ZINC000014244934 563754835 /nfs/dbraw/zinc/75/48/35/563754835.db2.gz BCHYWWLDFKUKJE-UHFFFAOYSA-N 1 2 349.456 3.722 50 0 EHAALO COc1ccc(-c2nn(C[N@@H+](C)C3CCCC3)c(=S)o2)c(OC)c1 ZINC000014244934 563754836 /nfs/dbraw/zinc/75/48/36/563754836.db2.gz BCHYWWLDFKUKJE-UHFFFAOYSA-N 1 2 349.456 3.722 50 0 EHAALO C[C@H](c1ccccc1)[N@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000016694726 563821042 /nfs/dbraw/zinc/82/10/42/563821042.db2.gz NSOKPAUOVKYQQI-GFCCVEGCSA-N 1 2 327.815 3.770 50 0 EHAALO C[C@H](c1ccccc1)[N@@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000016694726 563821044 /nfs/dbraw/zinc/82/10/44/563821044.db2.gz NSOKPAUOVKYQQI-GFCCVEGCSA-N 1 2 327.815 3.770 50 0 EHAALO C[C@@H](C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)n1cc[nH+]c1 ZINC000032928385 563836488 /nfs/dbraw/zinc/83/64/88/563836488.db2.gz PXXLBCADKYDNFV-LBPRGKRZSA-N 1 2 329.787 3.674 50 0 EHAALO C[C@H](c1ccccc1)[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000024685846 563874138 /nfs/dbraw/zinc/87/41/38/563874138.db2.gz ONNAVXOPBHSVNB-CYBMUJFWSA-N 1 2 333.391 3.862 50 0 EHAALO C[C@H](c1ccccc1)[N@@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000024685846 563874143 /nfs/dbraw/zinc/87/41/43/563874143.db2.gz ONNAVXOPBHSVNB-CYBMUJFWSA-N 1 2 333.391 3.862 50 0 EHAALO C[C@@H](CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000024747078 563874719 /nfs/dbraw/zinc/87/47/19/563874719.db2.gz SHMKJIUSOWLXBF-KRWDZBQOSA-N 1 2 333.435 3.741 50 0 EHAALO CCC(C)(C)C1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000024982708 563878944 /nfs/dbraw/zinc/87/89/44/563878944.db2.gz FLGYNCBINCPKTL-UHFFFAOYSA-N 1 2 340.471 3.992 50 0 EHAALO O=C(CSc1[nH+]cc2ccccn21)N[C@@H]1CCCc2ccccc21 ZINC000025037800 563880014 /nfs/dbraw/zinc/88/00/14/563880014.db2.gz DSLWANPOVHOEJW-QGZVFWFLSA-N 1 2 337.448 3.620 50 0 EHAALO O=C(NCc1cn2ccccc2[nH+]1)N1CCCCC[C@H]1c1ccncc1 ZINC000043477443 563881546 /nfs/dbraw/zinc/88/15/46/563881546.db2.gz NZOTXXKJGFHNSU-SFHVURJKSA-N 1 2 349.438 3.556 50 0 EHAALO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)sc1C ZINC000029080702 563904919 /nfs/dbraw/zinc/90/49/19/563904919.db2.gz DQQCRLIGAGJBQA-INIZCTEOSA-N 1 2 343.427 3.757 50 0 EHAALO CCn1c(SCc2[nH+]ccn2C)nnc1-c1cccc(Cl)c1 ZINC000132998876 563909794 /nfs/dbraw/zinc/90/97/94/563909794.db2.gz DFTBDAKYICUQOU-UHFFFAOYSA-N 1 2 333.848 3.644 50 0 EHAALO Cn1cccc1C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000030965560 563912038 /nfs/dbraw/zinc/91/20/38/563912038.db2.gz ILPGBRFKBCTKGE-HNNXBMFYSA-N 1 2 325.437 3.655 50 0 EHAALO Cn1cccc1C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000030965560 563912039 /nfs/dbraw/zinc/91/20/39/563912039.db2.gz ILPGBRFKBCTKGE-HNNXBMFYSA-N 1 2 325.437 3.655 50 0 EHAALO c1csc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)co2)c1 ZINC000058169859 563938901 /nfs/dbraw/zinc/93/89/01/563938901.db2.gz KOCRAFWXHUHBGF-UHFFFAOYSA-N 1 2 325.437 3.725 50 0 EHAALO O=C(CCc1c[nH]c2ccccc12)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000058214802 563939971 /nfs/dbraw/zinc/93/99/71/563939971.db2.gz JBRYAJJTVXZTCO-UHFFFAOYSA-N 1 2 344.418 3.603 50 0 EHAALO Cn1cc[nH+]c1[C@H](Nc1ccc(Br)cn1)c1ccccc1 ZINC000096417279 563951259 /nfs/dbraw/zinc/95/12/59/563951259.db2.gz FFQRBQBYILJWNE-OAHLLOKOSA-N 1 2 343.228 3.779 50 0 EHAALO O=c1c(C[N@@H+]2CCc3nc[nH]c3C23CCCCC3)coc2ccccc21 ZINC000065383664 563959142 /nfs/dbraw/zinc/95/91/42/563959142.db2.gz XXIJPXUBVMBNCC-UHFFFAOYSA-N 1 2 349.434 3.734 50 0 EHAALO O=c1c(C[N@H+]2CCc3nc[nH]c3C23CCCCC3)coc2ccccc21 ZINC000065383664 563959143 /nfs/dbraw/zinc/95/91/43/563959143.db2.gz XXIJPXUBVMBNCC-UHFFFAOYSA-N 1 2 349.434 3.734 50 0 EHAALO COc1ccc(-n2cc[nH+]c2-c2ccc(O)c(Cl)c2)cc1OC ZINC000071315352 563964148 /nfs/dbraw/zinc/96/41/48/563964148.db2.gz MFIBJBZIEIWGRV-UHFFFAOYSA-N 1 2 330.771 3.916 50 0 EHAALO Cc1nc([C@@H](C)[N@H+](C)Cc2cc(C(N)=O)oc2C(C)(C)C)c(C)s1 ZINC000077302397 563968890 /nfs/dbraw/zinc/96/88/90/563968890.db2.gz AIEOPUWVOSDIEX-SNVBAGLBSA-N 1 2 349.500 3.942 50 0 EHAALO Cc1nc([C@@H](C)[N@@H+](C)Cc2cc(C(N)=O)oc2C(C)(C)C)c(C)s1 ZINC000077302397 563968891 /nfs/dbraw/zinc/96/88/91/563968891.db2.gz AIEOPUWVOSDIEX-SNVBAGLBSA-N 1 2 349.500 3.942 50 0 EHAALO Cc1cccc(C)c1OC1CN(C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)C1 ZINC000082087420 563972050 /nfs/dbraw/zinc/97/20/50/563972050.db2.gz CDACZDYBLPAUFA-UHFFFAOYSA-N 1 2 347.418 3.597 50 0 EHAALO CCc1[nH+]c(C)ccc1OCC(=O)N(C)[C@@H](C)c1nc(C)sc1C ZINC000082120332 563972417 /nfs/dbraw/zinc/97/24/17/563972417.db2.gz UTPGYPWJCNDFQQ-LBPRGKRZSA-N 1 2 347.484 3.624 50 0 EHAALO Cc1cccc(CC(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)c1 ZINC000095525273 563977480 /nfs/dbraw/zinc/97/74/80/563977480.db2.gz DJOLBKOUNAKJAS-SFHVURJKSA-N 1 2 325.456 3.721 50 0 EHAALO C[C@H](NC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1=CCCCC1 ZINC000096137645 563979446 /nfs/dbraw/zinc/97/94/46/563979446.db2.gz HCMSCURGZCRWNU-INIZCTEOSA-N 1 2 343.471 3.529 50 0 EHAALO O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCCC[C@H]1c1cccnc1 ZINC000097137324 563981319 /nfs/dbraw/zinc/98/13/19/563981319.db2.gz LGJICSZQPLJQDS-SFHVURJKSA-N 1 2 332.407 3.839 50 0 EHAALO O=C(NCc1c[nH+]c2ccccn12)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000426503157 563996220 /nfs/dbraw/zinc/99/62/20/563996220.db2.gz JTFCAZFKHJVHEQ-QFIPXVFZSA-N 1 2 345.446 3.853 50 0 EHAALO Clc1cccc([C@H]([NH2+]Cc2cn3cccnc3n2)c2ccccn2)c1 ZINC000133755239 563996502 /nfs/dbraw/zinc/99/65/02/563996502.db2.gz WPBCBUMVZWKTSI-SFHVURJKSA-N 1 2 349.825 3.657 50 0 EHAALO COc1ccc(Cl)cc1NC(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000000420276 563998260 /nfs/dbraw/zinc/99/82/60/563998260.db2.gz RTTAQHUABVVTJU-UHFFFAOYSA-N 1 2 343.814 3.954 50 0 EHAALO c1csc(-c2nc(CNCc3cn4c([nH+]3)CCCC4)cs2)c1 ZINC000075127329 564000265 /nfs/dbraw/zinc/00/02/65/564000265.db2.gz DDZFSYZWCPGCMP-UHFFFAOYSA-N 1 2 330.482 3.694 50 0 EHAALO C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047249359 564025969 /nfs/dbraw/zinc/02/59/69/564025969.db2.gz JYGDCBPFINDLSK-OAHLLOKOSA-N 1 2 337.398 3.904 50 0 EHAALO Cc1ccc(CCC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000044891552 564027524 /nfs/dbraw/zinc/02/75/24/564027524.db2.gz AAUJRVCVGAYOIC-FQEVSTJZSA-N 1 2 333.435 3.567 50 0 EHAALO COc1ccc(-c2nnc(C[N@H+](Cc3cccs3)C3CC3)o2)cc1 ZINC000045007219 564028011 /nfs/dbraw/zinc/02/80/11/564028011.db2.gz LAPXURDALCPNTN-UHFFFAOYSA-N 1 2 341.436 3.971 50 0 EHAALO COc1ccc(-c2nnc(C[N@@H+](Cc3cccs3)C3CC3)o2)cc1 ZINC000045007219 564028012 /nfs/dbraw/zinc/02/80/12/564028012.db2.gz LAPXURDALCPNTN-UHFFFAOYSA-N 1 2 341.436 3.971 50 0 EHAALO COc1ccc(Cl)cc1C[NH2+][C@H](c1nccn1C)c1ccccc1 ZINC000048710486 564032118 /nfs/dbraw/zinc/03/21/18/564032118.db2.gz OBSWVHSDILDLAM-SFHVURJKSA-N 1 2 341.842 3.961 50 0 EHAALO CC(=O)N1CCN(c2cc(-c3ccccc3)c3ccccc3[nH+]2)CC1 ZINC000006905273 564033809 /nfs/dbraw/zinc/03/38/09/564033809.db2.gz TZVOFADWZPRDCU-UHFFFAOYSA-N 1 2 331.419 3.570 50 0 EHAALO Cc1csc(C2([NH2+]Cc3nnc(-c4ccco4)o3)CCCC2)n1 ZINC000081596239 564034039 /nfs/dbraw/zinc/03/40/39/564034039.db2.gz DSDGWMJLEQZLRD-UHFFFAOYSA-N 1 2 330.413 3.654 50 0 EHAALO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1ccc2cc[nH]c2c1 ZINC000081931159 564053216 /nfs/dbraw/zinc/05/32/16/564053216.db2.gz LLJQPIDRKLDTBL-UHFFFAOYSA-N 1 2 344.418 3.537 50 0 EHAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COCc1ccccc1Cl ZINC000005827541 564056575 /nfs/dbraw/zinc/05/65/75/564056575.db2.gz DIDJCHWOZQYTEK-OAHLLOKOSA-N 1 2 330.815 3.576 50 0 EHAALO Cc1cc(NS(=O)(=O)c2ccc(C)c(C)c2)c2ccccc2[nH+]1 ZINC000005843049 564056610 /nfs/dbraw/zinc/05/66/10/564056610.db2.gz CTKNRTHIAMPKGH-UHFFFAOYSA-N 1 2 326.421 3.961 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000012540483 564058636 /nfs/dbraw/zinc/05/86/36/564058636.db2.gz JUHFXBVBZQKGFP-MRXNPFEDSA-N 1 2 342.349 3.609 50 0 EHAALO CCC[C@H](NC(=O)N(C)Cc1cccc(SC)c1)c1[nH+]ccn1C ZINC000534659602 564061480 /nfs/dbraw/zinc/06/14/80/564061480.db2.gz GBTKDHRKEITXOF-INIZCTEOSA-N 1 2 346.500 3.825 50 0 EHAALO C[C@@H](c1cccc(-c2c(C(=O)[O-])[nH+]c3ccccn32)c1)[NH+]1CCCC1 ZINC000534670076 564061546 /nfs/dbraw/zinc/06/15/46/564061546.db2.gz PWAHQQXNWCOOFF-AWEZNQCLSA-N 1 2 335.407 3.856 50 0 EHAALO O=C(NC[C@H](c1ccccc1)C1CCCC1)C1(Cn2cc[nH+]c2)CC1 ZINC000534675368 564061632 /nfs/dbraw/zinc/06/16/32/564061632.db2.gz SXRCPLKGFSFEJZ-LJQANCHMSA-N 1 2 337.467 3.754 50 0 EHAALO O=C(NC[C@@H](c1ccccc1)C1CCCC1)C1(Cn2cc[nH+]c2)CC1 ZINC000534675367 564061642 /nfs/dbraw/zinc/06/16/42/564061642.db2.gz SXRCPLKGFSFEJZ-IBGZPJMESA-N 1 2 337.467 3.754 50 0 EHAALO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000083854156 564063790 /nfs/dbraw/zinc/06/37/90/564063790.db2.gz SRJQMOBINXXTKV-QWHCGFSZSA-N 1 2 349.356 3.909 50 0 EHAALO O=C(/C=C/c1ccccc1)NCCCn1cc[nH+]c1-c1ccccc1 ZINC000085555008 564073893 /nfs/dbraw/zinc/07/38/93/564073893.db2.gz CGHAZBKYALAUIT-OUKQBFOZSA-N 1 2 331.419 3.770 50 0 EHAALO O=C(c1c(F)cccc1Cl)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575605510 564082378 /nfs/dbraw/zinc/08/23/78/564082378.db2.gz KLFMWUZDFSFCAR-CYBMUJFWSA-N 1 2 334.778 3.558 50 0 EHAALO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCSCC1 ZINC000089573986 564092924 /nfs/dbraw/zinc/09/29/24/564092924.db2.gz SLINNQOKYAHNNU-MRXNPFEDSA-N 1 2 340.492 3.653 50 0 EHAALO Cc1c[nH]c(CN(C)C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)[nH+]1 ZINC000426548499 564094106 /nfs/dbraw/zinc/09/41/06/564094106.db2.gz KQVRWBXPHUBEJN-NSHDSACASA-N 1 2 340.349 3.640 50 0 EHAALO Fc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000065286111 564104377 /nfs/dbraw/zinc/10/43/77/564104377.db2.gz YZMXKKNTUQTIFT-QGZVFWFLSA-N 1 2 338.386 3.998 50 0 EHAALO Fc1ccccc1C[N@H+]1CCCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000065286111 564104378 /nfs/dbraw/zinc/10/43/78/564104378.db2.gz YZMXKKNTUQTIFT-QGZVFWFLSA-N 1 2 338.386 3.998 50 0 EHAALO COc1ccc2oc([C@@H](C)[NH2+]Cc3nnc(C)n3C3CC3)c(C)c2c1 ZINC000170077500 564105285 /nfs/dbraw/zinc/10/52/85/564105285.db2.gz VUYLBONSNSNHHT-GFCCVEGCSA-N 1 2 340.427 3.835 50 0 EHAALO Cc1cc(N2CCN(c3ncccn3)CC2)[nH+]c2c1cccc2C(C)C ZINC000065529364 564106917 /nfs/dbraw/zinc/10/69/17/564106917.db2.gz PYSKDTAXEBFEOL-UHFFFAOYSA-N 1 2 347.466 3.783 50 0 EHAALO CCOc1ccc(NC(=O)CC[NH2+]c2ccc(OCC)cc2)cc1 ZINC000007499982 564109269 /nfs/dbraw/zinc/10/92/69/564109269.db2.gz DHFJTWLVKGGNQF-UHFFFAOYSA-N 1 2 328.412 3.925 50 0 EHAALO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1nc(-c3ccco3)no1)CCC2 ZINC000152467969 564112183 /nfs/dbraw/zinc/11/21/83/564112183.db2.gz AVBGPWCOTDRUPZ-LBPRGKRZSA-N 1 2 344.440 3.858 50 0 EHAALO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1nc(-c3ccco3)no1)CCC2 ZINC000152467969 564112184 /nfs/dbraw/zinc/11/21/84/564112184.db2.gz AVBGPWCOTDRUPZ-LBPRGKRZSA-N 1 2 344.440 3.858 50 0 EHAALO COc1ccc2[nH]cc(CC(=O)Nc3cccc(-c4[nH]cc[nH+]4)c3)c2c1 ZINC000076017947 564114470 /nfs/dbraw/zinc/11/44/70/564114470.db2.gz ZGCDMOQRBHRBND-UHFFFAOYSA-N 1 2 346.390 3.748 50 0 EHAALO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000007689882 564121967 /nfs/dbraw/zinc/12/19/67/564121967.db2.gz GKWMWWCSZSFELZ-ZDUSSCGKSA-N 1 2 325.437 3.755 50 0 EHAALO C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000007689882 564121968 /nfs/dbraw/zinc/12/19/68/564121968.db2.gz GKWMWWCSZSFELZ-ZDUSSCGKSA-N 1 2 325.437 3.755 50 0 EHAALO Cc1nnc(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)s1 ZINC000253418438 564130865 /nfs/dbraw/zinc/13/08/65/564130865.db2.gz MYNRLBMIIMKNLG-CYBMUJFWSA-N 1 2 337.876 3.791 50 0 EHAALO Cc1nnc(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)s1 ZINC000253418438 564130866 /nfs/dbraw/zinc/13/08/66/564130866.db2.gz MYNRLBMIIMKNLG-CYBMUJFWSA-N 1 2 337.876 3.791 50 0 EHAALO CN(Cc1ccc(N)[nH+]c1)c1ncnc2sc(-c3ccccc3)cc21 ZINC000095945032 564142182 /nfs/dbraw/zinc/14/21/82/564142182.db2.gz ORYAIWQRJBGTKW-UHFFFAOYSA-N 1 2 347.447 3.972 50 0 EHAALO Cc1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OC(C)C ZINC000095962299 564142773 /nfs/dbraw/zinc/14/27/73/564142773.db2.gz VVZCOQLAZTZFPO-OAHLLOKOSA-N 1 2 342.443 3.917 50 0 EHAALO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccc2c(c1)NC(=O)CO2 ZINC000095984467 564143833 /nfs/dbraw/zinc/14/38/33/564143833.db2.gz ZORKCDVAGVQZMM-CYBMUJFWSA-N 1 2 349.390 3.523 50 0 EHAALO CN(C)c1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000096415954 564147779 /nfs/dbraw/zinc/14/77/79/564147779.db2.gz VCWPPGMYJPERCG-GFCCVEGCSA-N 1 2 347.850 3.541 50 0 EHAALO CC[C@H](C)[C@H]([NH2+]Cc1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C ZINC000097049510 564149315 /nfs/dbraw/zinc/14/93/15/564149315.db2.gz KUIRBYVFXWTQIC-GUYCJALGSA-N 1 2 337.460 3.550 50 0 EHAALO c1nn(-c2ccccc2)c2nc[nH+]c(N3CCC[C@@H]3c3ccccn3)c12 ZINC000057140354 564153302 /nfs/dbraw/zinc/15/33/02/564153302.db2.gz VKZGMYMMNFXUOD-GOSISDBHSA-N 1 2 342.406 3.552 50 0 EHAALO O=C(Cn1c2ccccc2[nH+]c1NCc1ccccc1)N1CCCCC1 ZINC000007985739 564161832 /nfs/dbraw/zinc/16/18/32/564161832.db2.gz VAIMPHSYHVIIQN-UHFFFAOYSA-N 1 2 348.450 3.661 50 0 EHAALO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000008320348 564164305 /nfs/dbraw/zinc/16/43/05/564164305.db2.gz JDKHPOKVIIREBL-MRXNPFEDSA-N 1 2 328.437 3.726 50 0 EHAALO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000008320348 564164306 /nfs/dbraw/zinc/16/43/06/564164306.db2.gz JDKHPOKVIIREBL-MRXNPFEDSA-N 1 2 328.437 3.726 50 0 EHAALO C[C@H](C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000069512058 564170013 /nfs/dbraw/zinc/17/00/13/564170013.db2.gz PGTOOXIAVYPKAI-GFCCVEGCSA-N 1 2 339.361 3.557 50 0 EHAALO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCOc2ccccc21 ZINC000076796784 564176534 /nfs/dbraw/zinc/17/65/34/564176534.db2.gz MKIPXULBBBOVBR-OAHLLOKOSA-N 1 2 337.354 3.516 50 0 EHAALO CN(Cc1ccccc1F)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077444861 564176748 /nfs/dbraw/zinc/17/67/48/564176748.db2.gz CJVNBJGGKQMQCE-UHFFFAOYSA-N 1 2 338.386 3.890 50 0 EHAALO CCCc1nc(N2CCc3[nH]nc(Cc4ccccc4)c3C2)cc(C)[nH+]1 ZINC000023380067 1035255240 /nfs/dbraw/zinc/25/52/40/1035255240.db2.gz WMCIZKNQGOACDV-UHFFFAOYSA-N 1 2 347.466 3.614 50 0 EHAALO CCCc1nc(N2CCc3n[nH]c(Cc4ccccc4)c3C2)cc(C)[nH+]1 ZINC000023380067 1035255244 /nfs/dbraw/zinc/25/52/44/1035255244.db2.gz WMCIZKNQGOACDV-UHFFFAOYSA-N 1 2 347.466 3.614 50 0 EHAALO Clc1cccc([C@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CCO2)c1 ZINC000185643704 1126968014 /nfs/dbraw/zinc/96/80/14/1126968014.db2.gz CRUFYDQCBSHJDH-GOSISDBHSA-N 1 2 327.815 3.790 50 0 EHAALO Clc1cccc([C@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CCO2)c1 ZINC000185643704 1126968016 /nfs/dbraw/zinc/96/80/16/1126968016.db2.gz CRUFYDQCBSHJDH-GOSISDBHSA-N 1 2 327.815 3.790 50 0 EHAALO CC(C)C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)n1cc[nH+]c1 ZINC000585132515 1137021653 /nfs/dbraw/zinc/02/16/53/1137021653.db2.gz YRMFFFGDGSHZKQ-SFHVURJKSA-N 1 2 326.444 3.709 50 0 EHAALO O[C@H](c1cccs1)C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000952966736 1137484722 /nfs/dbraw/zinc/48/47/22/1137484722.db2.gz JPHUQKAFLZDBIN-SFHVURJKSA-N 1 2 327.453 3.570 50 0 EHAALO CCCn1cnnc1C[NH2+]Cc1ccc(O[C@@H](C)CC)c(Cl)c1 ZINC000055211230 214288754 /nfs/dbraw/zinc/28/87/54/214288754.db2.gz WFVXABRVFTYXCL-ZDUSSCGKSA-N 1 2 336.867 3.809 50 0 EHAALO Cc1ccsc1C[N@H+](Cc1ccc(CO)o1)Cc1ccccn1 ZINC000055243664 214294114 /nfs/dbraw/zinc/29/41/14/214294114.db2.gz OYVULMRBIWCLQB-UHFFFAOYSA-N 1 2 328.437 3.739 50 0 EHAALO Cc1ccsc1C[N@@H+](Cc1ccc(CO)o1)Cc1ccccn1 ZINC000055243664 214294116 /nfs/dbraw/zinc/29/41/16/214294116.db2.gz OYVULMRBIWCLQB-UHFFFAOYSA-N 1 2 328.437 3.739 50 0 EHAALO Cc1[nH]cc(CN(Cc2ccc(C)cc2)Cc2ccc3c(c2)OCO3)[nH+]1 ZINC000055341585 214308884 /nfs/dbraw/zinc/30/88/84/214308884.db2.gz BETQXQCOGAOKNK-UHFFFAOYSA-N 1 2 349.434 3.958 50 0 EHAALO COc1cccc(F)c1[C@@H](C)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000176018656 231555132 /nfs/dbraw/zinc/55/51/32/231555132.db2.gz DTFRBFYSRJGOTI-TZMCWYRMSA-N 1 2 346.406 3.555 50 0 EHAALO COc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccc(C)cc1 ZINC000004355062 210178405 /nfs/dbraw/zinc/17/84/05/210178405.db2.gz JZTNWQKCWGQHRP-UHFFFAOYSA-N 1 2 345.406 3.745 50 0 EHAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccco1 ZINC000003550984 210053849 /nfs/dbraw/zinc/05/38/49/210053849.db2.gz ZJYJBDQWVQFGPC-UHFFFAOYSA-N 1 2 339.420 3.547 50 0 EHAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccco1 ZINC000003550984 210053853 /nfs/dbraw/zinc/05/38/53/210053853.db2.gz ZJYJBDQWVQFGPC-UHFFFAOYSA-N 1 2 339.420 3.547 50 0 EHAALO CC1CC[NH+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC000003308178 210003622 /nfs/dbraw/zinc/00/36/22/210003622.db2.gz GDPMQEDKYQPNPY-UHFFFAOYSA-N 1 2 339.464 3.884 50 0 EHAALO c1cn(Cc2cccnc2)c(-c2cccc(OCc3ccccn3)c2)[nH+]1 ZINC000067459276 215148400 /nfs/dbraw/zinc/14/84/00/215148400.db2.gz VYTGVYUZEWIXBH-UHFFFAOYSA-N 1 2 342.402 3.967 50 0 EHAALO CSc1ccc([C@@H]2c3[nH]c[nH+]c3CCN2Cc2ccccn2)cc1 ZINC000067754583 215203054 /nfs/dbraw/zinc/20/30/54/215203054.db2.gz KAVNZGXWUAVHCL-LJQANCHMSA-N 1 2 336.464 3.674 50 0 EHAALO Clc1ccc([C@@H]2c3[nH]c[nH+]c3CCN2Cc2cccnc2)s1 ZINC000067847661 215229584 /nfs/dbraw/zinc/22/95/84/215229584.db2.gz JRHNOYLZKMRCSN-MRXNPFEDSA-N 1 2 330.844 3.667 50 0 EHAALO Clc1ccc([C@H]2c3[nH]c[nH+]c3CCN2Cc2cccnc2)s1 ZINC000067847660 215230028 /nfs/dbraw/zinc/23/00/28/215230028.db2.gz JRHNOYLZKMRCSN-INIZCTEOSA-N 1 2 330.844 3.667 50 0 EHAALO Cn1cc[nH+]c1CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000040549424 213346503 /nfs/dbraw/zinc/34/65/03/213346503.db2.gz HROZQWCMZKABHR-UHFFFAOYSA-N 1 2 339.226 3.923 50 0 EHAALO O=C(NCc1ccc(Cl)cc1F)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000187874156 236324202 /nfs/dbraw/zinc/32/42/02/236324202.db2.gz AQKQSWYBHYLKPU-AWEZNQCLSA-N 1 2 336.798 3.639 50 0 EHAALO CCn1c(C[N@H+](C)Cc2cc(-c3ccncc3)no2)nc2ccccc21 ZINC000072145597 216032984 /nfs/dbraw/zinc/03/29/84/216032984.db2.gz UIZUZGOYXFSFPI-UHFFFAOYSA-N 1 2 347.422 3.738 50 0 EHAALO CCn1c(C[N@@H+](C)Cc2cc(-c3ccncc3)no2)nc2ccccc21 ZINC000072145597 216032986 /nfs/dbraw/zinc/03/29/86/216032986.db2.gz UIZUZGOYXFSFPI-UHFFFAOYSA-N 1 2 347.422 3.738 50 0 EHAALO O=S(=O)(Nc1cc[nH+]cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000000367696 209554482 /nfs/dbraw/zinc/55/44/82/209554482.db2.gz OJJDBZBPNHRSRN-UHFFFAOYSA-N 1 2 337.615 3.843 50 0 EHAALO c1ccc2[nH+]c(CCNc3ccc(-c4nc(C5CC5)no4)cn3)[nH]c2c1 ZINC000072418230 216206930 /nfs/dbraw/zinc/20/69/30/216206930.db2.gz AHJGFMMECFKQNH-UHFFFAOYSA-N 1 2 346.394 3.540 50 0 EHAALO CCn1nc(C)c(CCn2cc[nH+]c2-c2cccc(C(C)=O)c2)c1C ZINC000072428398 216218514 /nfs/dbraw/zinc/21/85/14/216218514.db2.gz LEDFYBBXWPVHAJ-UHFFFAOYSA-N 1 2 336.439 3.829 50 0 EHAALO O=C([C@@H]1CCCc2c3ccccc3[nH]c21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072458095 216244443 /nfs/dbraw/zinc/24/44/43/216244443.db2.gz ZLFCFIGEKLHUEM-QGZVFWFLSA-N 1 2 348.450 3.717 50 0 EHAALO C[N@@H+](Cc1cccs1)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000023761650 212394945 /nfs/dbraw/zinc/39/49/45/212394945.db2.gz IYOHSJXTVHTMQL-UHFFFAOYSA-N 1 2 344.509 3.846 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1Cl)c1cccc(F)c1 ZINC000023778489 212395114 /nfs/dbraw/zinc/39/51/14/212395114.db2.gz ALTKAXFQJJIXJL-MRXNPFEDSA-N 1 2 343.789 3.732 50 0 EHAALO C[N@H+](Cc1cccs1)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000023761650 212394942 /nfs/dbraw/zinc/39/49/42/212394942.db2.gz IYOHSJXTVHTMQL-UHFFFAOYSA-N 1 2 344.509 3.846 50 0 EHAALO C[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023112876 212348659 /nfs/dbraw/zinc/34/86/59/212348659.db2.gz BCEHJHPHQRNKTA-HNNXBMFYSA-N 1 2 349.409 3.920 50 0 EHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C)cc1)[NH+]1CCCC1)S2 ZINC000022852972 212328874 /nfs/dbraw/zinc/32/88/74/212328874.db2.gz RXTIHNNMGOPZAL-OAHLLOKOSA-N 1 2 342.468 3.552 50 0 EHAALO CC[C@@H](C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccc(OC)cc1 ZINC000195154468 240849880 /nfs/dbraw/zinc/84/98/80/240849880.db2.gz MPZNDLGIVXDJMK-SJORKVTESA-N 1 2 327.428 3.666 50 0 EHAALO Cc1cccc(C[N@@H+]2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)n1 ZINC000215501898 241129192 /nfs/dbraw/zinc/12/91/92/241129192.db2.gz IDJVQDUEUWMSEV-UHFFFAOYSA-N 1 2 338.842 3.992 50 0 EHAALO Cc1cccc(C[N@H+]2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)n1 ZINC000215501898 241129195 /nfs/dbraw/zinc/12/91/95/241129195.db2.gz IDJVQDUEUWMSEV-UHFFFAOYSA-N 1 2 338.842 3.992 50 0 EHAALO CC[N@H+](CCCNC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 ZINC000021407648 212223365 /nfs/dbraw/zinc/22/33/65/212223365.db2.gz XOMLZADCCYOPBY-LJQANCHMSA-N 1 2 340.492 3.736 50 0 EHAALO CC[N@@H+](CCCNC(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 ZINC000021407648 212223370 /nfs/dbraw/zinc/22/33/70/212223370.db2.gz XOMLZADCCYOPBY-LJQANCHMSA-N 1 2 340.492 3.736 50 0 EHAALO Cc1cccc(C)c1OC1C[NH+](Cc2cc(-c3ccncc3)no2)C1 ZINC000244633180 243046123 /nfs/dbraw/zinc/04/61/23/243046123.db2.gz FYLTYAPFFYHIBF-UHFFFAOYSA-N 1 2 335.407 3.617 50 0 EHAALO COc1cc(Cl)c(C)cc1NC(=O)N(Cc1[nH+]ccn1C)C1CC1 ZINC000244690873 243058470 /nfs/dbraw/zinc/05/84/70/243058470.db2.gz IYLAOWVVNOFAHH-UHFFFAOYSA-N 1 2 348.834 3.587 50 0 EHAALO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000020367781 212123912 /nfs/dbraw/zinc/12/39/12/212123912.db2.gz HWDMGHXQQRXJRG-UHFFFAOYSA-N 1 2 343.858 3.998 50 0 EHAALO Cc1c2ccccc2oc(=O)c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000078689484 217102478 /nfs/dbraw/zinc/10/24/78/217102478.db2.gz KLDNHTPAFGINST-UHFFFAOYSA-N 1 2 345.358 3.539 50 0 EHAALO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000078656058 217096805 /nfs/dbraw/zinc/09/68/05/217096805.db2.gz NLPVEAYVZLXVGJ-ARFHVFGLSA-N 1 2 329.831 3.920 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000012506913 211394466 /nfs/dbraw/zinc/39/44/66/211394466.db2.gz VYYLEMKTUIEHSI-INIZCTEOSA-N 1 2 325.799 3.593 50 0 EHAALO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000012386069 211364558 /nfs/dbraw/zinc/36/45/58/211364558.db2.gz JMNSPQJZMLMLCZ-CYBMUJFWSA-N 1 2 338.329 3.788 50 0 EHAALO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000012386069 211364561 /nfs/dbraw/zinc/36/45/61/211364561.db2.gz JMNSPQJZMLMLCZ-CYBMUJFWSA-N 1 2 338.329 3.788 50 0 EHAALO CCCOc1ccccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC)C1 ZINC000091595594 218029412 /nfs/dbraw/zinc/02/94/12/218029412.db2.gz PYJGGJBFJWNLCV-MRXNPFEDSA-N 1 2 341.455 3.712 50 0 EHAALO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)CCCc1[nH+]ccn1C ZINC000091707521 218052327 /nfs/dbraw/zinc/05/23/27/218052327.db2.gz QCWJJORWALVTAU-UHFFFAOYSA-N 1 2 338.455 3.531 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccc(SC)cc2)C1 ZINC000091678367 218045558 /nfs/dbraw/zinc/04/55/58/218045558.db2.gz UKTVUNRLUYXXGU-INIZCTEOSA-N 1 2 343.496 3.574 50 0 EHAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000091746054 218058027 /nfs/dbraw/zinc/05/80/27/218058027.db2.gz JMSLBETVTXIUSZ-UHFFFAOYSA-N 1 2 329.444 3.913 50 0 EHAALO c1c[nH]c([C@H]2CCCC[N@H+]2Cc2ccc(Oc3cnccn3)cc2)n1 ZINC000092729856 218162775 /nfs/dbraw/zinc/16/27/75/218162775.db2.gz SXVBBIGFWWWADW-QGZVFWFLSA-N 1 2 335.411 3.719 50 0 EHAALO c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2ccc(Oc3cnccn3)cc2)n1 ZINC000092729856 218162778 /nfs/dbraw/zinc/16/27/78/218162778.db2.gz SXVBBIGFWWWADW-QGZVFWFLSA-N 1 2 335.411 3.719 50 0 EHAALO Cc1[nH]c2ccc(NC(=O)c3ccccc3Br)cc2[nH+]1 ZINC000009115861 211042993 /nfs/dbraw/zinc/04/29/93/211042993.db2.gz FHPSOXREVGVGSQ-UHFFFAOYSA-N 1 2 330.185 3.886 50 0 EHAALO Cc1[nH]c2cc(NC(=O)c3ccccc3Br)ccc2[nH+]1 ZINC000009115861 211042997 /nfs/dbraw/zinc/04/29/97/211042997.db2.gz FHPSOXREVGVGSQ-UHFFFAOYSA-N 1 2 330.185 3.886 50 0 EHAALO Cc1csc([C@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C2CC2)n1 ZINC000095405368 218341606 /nfs/dbraw/zinc/34/16/06/218341606.db2.gz VRKJLMSHGSNHBM-ZIAGYGMSSA-N 1 2 345.472 3.563 50 0 EHAALO CCCNc1ccc(Cl)cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000097233841 219000939 /nfs/dbraw/zinc/00/09/39/219000939.db2.gz COGGZXFNYODBSC-LBPRGKRZSA-N 1 2 332.835 3.560 50 0 EHAALO Cc1ccnc([C@H](NC(=O)c2ccccc2-c2[nH]cc[nH+]2)C2CC2)c1 ZINC000097505528 219031496 /nfs/dbraw/zinc/03/14/96/219031496.db2.gz FTZZTVWKLIFGHX-GOSISDBHSA-N 1 2 332.407 3.661 50 0 EHAALO COc1cccc(Cl)c1C[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000328589574 258044754 /nfs/dbraw/zinc/04/47/54/258044754.db2.gz VIPZARYZERNSLO-OPAMFIHVSA-N 1 2 337.872 3.558 50 0 EHAALO CCCOc1ccc(NC(=O)N(C)Cc2[nH]cc(C)[nH+]2)cc1Cl ZINC000299775985 258086498 /nfs/dbraw/zinc/08/64/98/258086498.db2.gz MISONEVBMNLXSE-UHFFFAOYSA-N 1 2 336.823 3.824 50 0 EHAALO Cc1cc(Cl)cc(C)c1NC(=O)N(C)CCCc1[nH+]ccn1C ZINC000299783291 258091156 /nfs/dbraw/zinc/09/11/56/258091156.db2.gz YHVPKXZANULTTN-UHFFFAOYSA-N 1 2 334.851 3.787 50 0 EHAALO CCSc1ccccc1NC(=O)NCc1c[nH+]cn1CC(C)C ZINC000299765956 258080932 /nfs/dbraw/zinc/08/09/32/258080932.db2.gz YHVMDKMWVKOFCB-UHFFFAOYSA-N 1 2 332.473 3.973 50 0 EHAALO Fc1ccc(N2CC[NH+](Cc3ccccc3Br)CC2)cc1 ZINC000053206496 132186457 /nfs/dbraw/zinc/18/64/57/132186457.db2.gz XTFFKQIKCKVFGY-UHFFFAOYSA-N 1 2 349.247 3.910 50 0 EHAALO CC(C)c1ccc(NC(=S)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000007518025 135680700 /nfs/dbraw/zinc/68/07/00/135680700.db2.gz SNYXVVYDYBOFRL-UHFFFAOYSA-N 1 2 340.496 3.724 50 0 EHAALO C[N@@H+](CCOC1CCCCCC1)Cc1nccn1CC(F)(F)F ZINC000069973432 563892776 /nfs/dbraw/zinc/89/27/76/563892776.db2.gz REUZFYCVMDJKMD-UHFFFAOYSA-N 1 2 333.398 3.617 50 0 EHAALO CCCCS[C@H](C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000058161791 563938382 /nfs/dbraw/zinc/93/83/82/563938382.db2.gz GVILNLXSZWLYSI-LLVKDONJSA-N 1 2 325.865 3.526 50 0 EHAALO CC1CC[NH+](CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000000470933 563331393 /nfs/dbraw/zinc/33/13/93/563331393.db2.gz JKSCRHRMMRGINN-UHFFFAOYSA-N 1 2 336.435 3.588 50 0 EHAALO CC[C@H](NC(=O)Cc1ccc2[nH]c(C)[nH+]c2c1)c1nc(C)c(C)s1 ZINC000584892892 563564211 /nfs/dbraw/zinc/56/42/11/563564211.db2.gz DANRZPLPCGSBQM-AWEZNQCLSA-N 1 2 342.468 3.755 50 0 EHAALO CC[C@H](NC(=O)Cc1ccc2[nH+]c(C)[nH]c2c1)c1nc(C)c(C)s1 ZINC000584892892 563564214 /nfs/dbraw/zinc/56/42/14/563564214.db2.gz DANRZPLPCGSBQM-AWEZNQCLSA-N 1 2 342.468 3.755 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC000012629319 563666122 /nfs/dbraw/zinc/66/61/22/563666122.db2.gz WZMBWYAORYUJQY-MRXNPFEDSA-N 1 2 331.847 3.859 50 0 EHAALO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(O)c(OC)c2)no1 ZINC000015866895 563797810 /nfs/dbraw/zinc/79/78/10/563797810.db2.gz FMVNYAPCVKBOPU-INIZCTEOSA-N 1 2 346.427 3.687 50 0 EHAALO CCCc1cc([C@@H]2CCC[N@H+]2Cc2cc(OC)c(O)c(OC)c2)no1 ZINC000015866895 563797813 /nfs/dbraw/zinc/79/78/13/563797813.db2.gz FMVNYAPCVKBOPU-INIZCTEOSA-N 1 2 346.427 3.687 50 0 EHAALO Cc1scc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000016603820 563816569 /nfs/dbraw/zinc/81/65/69/563816569.db2.gz RDKITYZPVDPJTA-RMKNXTFCSA-N 1 2 340.492 3.836 50 0 EHAALO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cs1 ZINC000016603775 563816576 /nfs/dbraw/zinc/81/65/76/563816576.db2.gz FHBYRBLNRDVKFR-UHFFFAOYSA-N 1 2 334.872 3.668 50 0 EHAALO COc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000024050419 563868774 /nfs/dbraw/zinc/86/87/74/563868774.db2.gz YYKBSDPJMFYLKL-CYBMUJFWSA-N 1 2 339.370 3.511 50 0 EHAALO Fc1ccccc1N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000024747784 563874684 /nfs/dbraw/zinc/87/46/84/563874684.db2.gz BDZAVFPBUGZUIW-UHFFFAOYSA-N 1 2 337.398 3.803 50 0 EHAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1c(F)cccc1Cl ZINC000024752326 563875111 /nfs/dbraw/zinc/87/51/11/563875111.db2.gz DJJPGBLTKZHUMA-UHFFFAOYSA-N 1 2 343.789 3.654 50 0 EHAALO Cc1ccccc1[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026303447 563890807 /nfs/dbraw/zinc/89/08/07/563890807.db2.gz SYYVGFQXJLSFKD-INIZCTEOSA-N 1 2 338.455 3.551 50 0 EHAALO C[N@H+](CCOC1CCCCCC1)Cc1nccn1CC(F)(F)F ZINC000069973432 563892772 /nfs/dbraw/zinc/89/27/72/563892772.db2.gz REUZFYCVMDJKMD-UHFFFAOYSA-N 1 2 333.398 3.617 50 0 EHAALO CC(C)c1noc([C@H](C)[NH+]2CCC(C(=O)c3ccccc3)CC2)n1 ZINC000027822405 563899917 /nfs/dbraw/zinc/89/99/17/563899917.db2.gz QPRHEVMDTWZSFA-AWEZNQCLSA-N 1 2 327.428 3.849 50 0 EHAALO COc1cccc(CNC(=O)c2ccc(Oc3cc[nH+]cc3)cc2)c1 ZINC000072284620 563906247 /nfs/dbraw/zinc/90/62/47/563906247.db2.gz FMGYGVLKOAWCOA-UHFFFAOYSA-N 1 2 334.375 3.813 50 0 EHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cnn(C)c3)cs2)o1 ZINC000070019448 563920052 /nfs/dbraw/zinc/92/00/52/563920052.db2.gz NITHQSZJYRNCKB-OAHLLOKOSA-N 1 2 328.441 3.782 50 0 EHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cnn(C)c3)cs2)o1 ZINC000070019448 563920053 /nfs/dbraw/zinc/92/00/53/563920053.db2.gz NITHQSZJYRNCKB-OAHLLOKOSA-N 1 2 328.441 3.782 50 0 EHAALO Cc1[nH]c2c(cccc2C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000058412240 563945265 /nfs/dbraw/zinc/94/52/65/563945265.db2.gz DWJFIGWUISXQSE-UHFFFAOYSA-N 1 2 344.418 3.900 50 0 EHAALO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2c(C)cccc2C)c1C ZINC000058606078 563946940 /nfs/dbraw/zinc/94/69/40/563946940.db2.gz RLVMSZBWDILNGV-UHFFFAOYSA-N 1 2 327.428 3.988 50 0 EHAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc2ccccc21 ZINC000060129969 563949667 /nfs/dbraw/zinc/94/96/67/563949667.db2.gz WPBDOKIAARXOCX-UHFFFAOYSA-N 1 2 327.387 3.956 50 0 EHAALO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)Cc2ccc(Cl)nc2)c1 ZINC000096436001 563952490 /nfs/dbraw/zinc/95/24/90/563952490.db2.gz LUEQOXOPZZCGBW-UHFFFAOYSA-N 1 2 340.814 3.501 50 0 EHAALO CC(=O)Nc1ccc(-c2nccn2Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000071575280 563964541 /nfs/dbraw/zinc/96/45/41/563964541.db2.gz DGSDYTQYRQKPQG-UHFFFAOYSA-N 1 2 345.406 3.513 50 0 EHAALO C[C@H](Cn1cc[nH+]c1-c1ccnc2ccccc21)Oc1cccnc1 ZINC000071775681 563965749 /nfs/dbraw/zinc/96/57/49/563965749.db2.gz WINOWRXYVKRUSM-OAHLLOKOSA-N 1 2 330.391 3.961 50 0 EHAALO Cn1ccnc1C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000097081251 563967234 /nfs/dbraw/zinc/96/72/34/563967234.db2.gz GOGRZWLHNZGQHE-UHFFFAOYSA-N 1 2 335.329 3.989 50 0 EHAALO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2CCC(F)(F)CC2)CC1 ZINC000097143203 563968237 /nfs/dbraw/zinc/96/82/37/563968237.db2.gz PDRBNRSEEMVEPQ-CYBMUJFWSA-N 1 2 342.455 3.779 50 0 EHAALO Cc1cc(C)c2nc(C)cc(C(=O)NCC[C@H](C)n3cc[nH+]c3)c2c1 ZINC000077298526 563968772 /nfs/dbraw/zinc/96/87/72/563968772.db2.gz BPPZEDIYLNROAA-INIZCTEOSA-N 1 2 336.439 3.738 50 0 EHAALO COCC(=O)Nc1ccc(Cl)c(-n2cc[nH+]c2[C@@H]2CC=CCC2)c1 ZINC000077356657 563969186 /nfs/dbraw/zinc/96/91/86/563969186.db2.gz NNNGRBOZOKHRRL-CYBMUJFWSA-N 1 2 345.830 3.934 50 0 EHAALO COc1ccc([C@@H](NC(=O)c2ccc3[nH+]c(C)cn3c2)C2CC2)cc1 ZINC000082109293 563972373 /nfs/dbraw/zinc/97/23/73/563972373.db2.gz SOEONQYITNXYKR-IBGZPJMESA-N 1 2 335.407 3.532 50 0 EHAALO CC(C)c1nc(CN(C)c2ccc(Cn3cc[nH+]c3)cn2)cs1 ZINC000082157432 563972792 /nfs/dbraw/zinc/97/27/92/563972792.db2.gz ACSXZZVOUXMIKS-UHFFFAOYSA-N 1 2 327.457 3.543 50 0 EHAALO C[C@H](O)c1cccc(N2CCc3[nH]c4c(cccc4Cl)c3C2)[nH+]1 ZINC000095501037 563977085 /nfs/dbraw/zinc/97/70/85/563977085.db2.gz XYPUXUFMCMGINP-NSHDSACASA-N 1 2 327.815 3.832 50 0 EHAALO Cc1ccc2nc(C)c(C)c(C(=O)NCC[C@@H](C)n3cc[nH+]c3)c2c1 ZINC000095524315 563977465 /nfs/dbraw/zinc/97/74/65/563977465.db2.gz KSLJUNNJPCLDRS-CQSZACIVSA-N 1 2 336.439 3.738 50 0 EHAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1nc(-c2ccccc2)cs1 ZINC000096006143 563977861 /nfs/dbraw/zinc/97/78/61/563977861.db2.gz BZDDOFWJFWRMJA-UHFFFAOYSA-N 1 2 349.459 3.807 50 0 EHAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1nc(-c2ccccc2)cs1 ZINC000096006143 563977862 /nfs/dbraw/zinc/97/78/62/563977862.db2.gz BZDDOFWJFWRMJA-UHFFFAOYSA-N 1 2 349.459 3.807 50 0 EHAALO O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1C[NH+]1CCCCC1 ZINC000033392120 563983481 /nfs/dbraw/zinc/98/34/81/563983481.db2.gz JLZITXVGZHHAJS-UVTDQMKNSA-N 1 2 336.844 3.820 50 0 EHAALO CC[N@H+](Cc1ccc(Cl)s1)Cc1nc(-c2ccccn2)no1 ZINC000069529163 563999810 /nfs/dbraw/zinc/99/98/10/563999810.db2.gz JRQDGQMOSMXIAJ-UHFFFAOYSA-N 1 2 334.832 3.869 50 0 EHAALO CC[N@@H+](Cc1ccc(Cl)s1)Cc1nc(-c2ccccn2)no1 ZINC000069529163 563999811 /nfs/dbraw/zinc/99/98/11/563999811.db2.gz JRQDGQMOSMXIAJ-UHFFFAOYSA-N 1 2 334.832 3.869 50 0 EHAALO CC(=O)c1cnn(-c2cc(N[C@H](C)c3ccccc3)[nH+]c(C)n2)c1C ZINC000005389319 564003489 /nfs/dbraw/zinc/00/34/89/564003489.db2.gz TYKWCAWHDIIHLZ-GFCCVEGCSA-N 1 2 335.411 3.655 50 0 EHAALO Cc1nc(-c2cc(C(=O)Nc3ccc(C)[nH+]c3N(C)C)co2)cs1 ZINC000152642981 564005959 /nfs/dbraw/zinc/00/59/59/564005959.db2.gz RXACAYNTICYTBM-UHFFFAOYSA-N 1 2 342.424 3.733 50 0 EHAALO Cc1n[nH]c(C)c1NC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000272503224 564007392 /nfs/dbraw/zinc/00/73/92/564007392.db2.gz GVGLIXPPQQQLTE-LBPRGKRZSA-N 1 2 342.447 3.753 50 0 EHAALO O=C(c1ccccc1)C1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000014729227 564014499 /nfs/dbraw/zinc/01/44/99/564014499.db2.gz WLDMZSXZKGXLEE-UHFFFAOYSA-N 1 2 347.418 3.832 50 0 EHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000000552485 564023013 /nfs/dbraw/zinc/02/30/13/564023013.db2.gz SZNJIQLXMKLFCU-GJZGRUSLSA-N 1 2 335.455 3.915 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000044889242 564027652 /nfs/dbraw/zinc/02/76/52/564027652.db2.gz WJERMKJLJOJMPO-INIZCTEOSA-N 1 2 325.799 3.593 50 0 EHAALO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@@H]1c1ccsc1 ZINC000047833352 564029698 /nfs/dbraw/zinc/02/96/98/564029698.db2.gz DSEKTAKOZHZRTG-NVXWUHKLSA-N 1 2 341.480 3.723 50 0 EHAALO COc1ccc([C@H]2CCCCCN2C(=O)[C@H](C)n2cc[nH+]c2)cc1 ZINC000047918486 564029779 /nfs/dbraw/zinc/02/97/79/564029779.db2.gz NZFFSVFCQVKEIZ-MAUKXSAKSA-N 1 2 327.428 3.597 50 0 EHAALO O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075553256 564031997 /nfs/dbraw/zinc/03/19/97/564031997.db2.gz AQNDCASSDOSHLO-CQSZACIVSA-N 1 2 338.436 3.553 50 0 EHAALO COc1ccccc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000048776411 564032148 /nfs/dbraw/zinc/03/21/48/564032148.db2.gz VGUXOFOXPJUNSG-UHFFFAOYSA-N 1 2 333.435 3.659 50 0 EHAALO Cc1ccc2[nH]c(CCCNC(=O)CCC(F)(F)F)[nH+]c2c1C ZINC000223476723 564040205 /nfs/dbraw/zinc/04/02/05/564040205.db2.gz BTNOHJNEUVZTGC-UHFFFAOYSA-N 1 2 327.350 3.571 50 0 EHAALO O=C(NC[C@@H](c1ccsc1)[NH+]1CCC1)c1ccc(Cl)s1 ZINC000225593527 564050989 /nfs/dbraw/zinc/05/09/89/564050989.db2.gz DJYLQMZHTVIIBI-NSHDSACASA-N 1 2 326.874 3.640 50 0 EHAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1ccc(-n2cccc2)cc1 ZINC000025174835 564053738 /nfs/dbraw/zinc/05/37/38/564053738.db2.gz BSEYHBGFGUHABV-UHFFFAOYSA-N 1 2 342.402 3.974 50 0 EHAALO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1C ZINC000012574928 564059953 /nfs/dbraw/zinc/05/99/53/564059953.db2.gz NIZNNKCKMVLGMQ-SFHVURJKSA-N 1 2 337.398 3.695 50 0 EHAALO S=C(NCc1ccccc1)NNc1cc[nH+]c2cc(Cl)ccc12 ZINC000012579036 564060000 /nfs/dbraw/zinc/06/00/00/564060000.db2.gz SYWPLOZOWWKOKT-UHFFFAOYSA-N 1 2 342.855 3.879 50 0 EHAALO Cc1cccn2cc(COC(=O)c3cc(O)c4ccccc4c3O)[nH+]c12 ZINC000084247929 564067561 /nfs/dbraw/zinc/06/75/61/564067561.db2.gz AXQCHXLCEWHGOO-UHFFFAOYSA-N 1 2 348.358 3.564 50 0 EHAALO COc1ccc(N(C(=O)c2ccc3[nH+]ccn3c2)C(C)C)cc1F ZINC000084597286 564068918 /nfs/dbraw/zinc/06/89/18/564068918.db2.gz IPDFTEOFBVFLMM-UHFFFAOYSA-N 1 2 327.359 3.537 50 0 EHAALO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014924195 564069893 /nfs/dbraw/zinc/06/98/93/564069893.db2.gz VKHZHNLKVSCUPT-CHWSQXEVSA-N 1 2 344.377 3.605 50 0 EHAALO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000014924195 564069894 /nfs/dbraw/zinc/06/98/94/564069894.db2.gz VKHZHNLKVSCUPT-CHWSQXEVSA-N 1 2 344.377 3.605 50 0 EHAALO CCOc1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc(Cl)c1O ZINC000186719348 564079673 /nfs/dbraw/zinc/07/96/73/564079673.db2.gz QPSOCSZMXCYNMK-ZDUSSCGKSA-N 1 2 349.818 3.535 50 0 EHAALO COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000190924467 564084436 /nfs/dbraw/zinc/08/44/36/564084436.db2.gz SCXPKXVXBRPRQZ-NVXWUHKLSA-N 1 2 340.423 3.766 50 0 EHAALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cnoc1-c1cccc(C)c1 ZINC000065288920 564104750 /nfs/dbraw/zinc/10/47/50/564104750.db2.gz OSHIMVLCRNGOLC-QGZVFWFLSA-N 1 2 328.412 3.568 50 0 EHAALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cnoc1-c1cccc(C)c1 ZINC000065288920 564104751 /nfs/dbraw/zinc/10/47/51/564104751.db2.gz OSHIMVLCRNGOLC-QGZVFWFLSA-N 1 2 328.412 3.568 50 0 EHAALO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cn1c(=O)oc2ccccc21 ZINC000007141521 564105513 /nfs/dbraw/zinc/10/55/13/564105513.db2.gz OKSVJERKVCKLHV-UHFFFAOYSA-N 1 2 337.206 3.991 50 0 EHAALO C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cn1c(=O)oc2ccccc21 ZINC000007141521 564105514 /nfs/dbraw/zinc/10/55/14/564105514.db2.gz OKSVJERKVCKLHV-UHFFFAOYSA-N 1 2 337.206 3.991 50 0 EHAALO Clc1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc2c1OCO2 ZINC000065533773 564107157 /nfs/dbraw/zinc/10/71/57/564107157.db2.gz PRFYHDWKRDASOH-KRWDZBQOSA-N 1 2 331.799 3.642 50 0 EHAALO Clc1cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc2c1OCO2 ZINC000065533773 564107158 /nfs/dbraw/zinc/10/71/58/564107158.db2.gz PRFYHDWKRDASOH-KRWDZBQOSA-N 1 2 331.799 3.642 50 0 EHAALO CSc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C)o3)CC2)c1 ZINC000013320033 564111428 /nfs/dbraw/zinc/11/14/28/564111428.db2.gz QHCGOFGVONTUIR-UHFFFAOYSA-N 1 2 345.468 3.660 50 0 EHAALO Cc1[nH+]cc(CNc2cccc(N3CCOCC3)c2)n1-c1ccccc1 ZINC000089730057 564113463 /nfs/dbraw/zinc/11/34/63/564113463.db2.gz VDBXYAQOFCRVBO-UHFFFAOYSA-N 1 2 348.450 3.629 50 0 EHAALO c1sc(Nc2ccccc2)nc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000089845723 564114240 /nfs/dbraw/zinc/11/42/40/564114240.db2.gz ARCCHWHPUYVERD-JKSUJKDBSA-N 1 2 347.509 3.593 50 0 EHAALO c1sc(Nc2ccccc2)nc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000089845723 564114241 /nfs/dbraw/zinc/11/42/41/564114241.db2.gz ARCCHWHPUYVERD-JKSUJKDBSA-N 1 2 347.509 3.593 50 0 EHAALO O=C(NCCCCc1ccc(Cl)s1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000367644060 564117834 /nfs/dbraw/zinc/11/78/34/564117834.db2.gz QVCACMVRJDBRGA-LBPRGKRZSA-N 1 2 337.876 3.684 50 0 EHAALO O=C(NCCCCc1ccc(Cl)s1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000367644060 564117835 /nfs/dbraw/zinc/11/78/35/564117835.db2.gz QVCACMVRJDBRGA-LBPRGKRZSA-N 1 2 337.876 3.684 50 0 EHAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1F ZINC000007927291 564125582 /nfs/dbraw/zinc/12/55/82/564125582.db2.gz LYSSYIYETMNEDW-AWEZNQCLSA-N 1 2 348.443 3.507 50 0 EHAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1F ZINC000007927291 564125583 /nfs/dbraw/zinc/12/55/83/564125583.db2.gz LYSSYIYETMNEDW-AWEZNQCLSA-N 1 2 348.443 3.507 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)/C=C/c2cccs2)C1 ZINC000390828916 564138604 /nfs/dbraw/zinc/13/86/04/564138604.db2.gz CFDIFYPKDXDELD-HVHJFMEUSA-N 1 2 337.448 3.893 50 0 EHAALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)nc2ccccc12 ZINC000095945704 564142184 /nfs/dbraw/zinc/14/21/84/564142184.db2.gz SMIOJILCVNCYFZ-MRXNPFEDSA-N 1 2 332.831 3.806 50 0 EHAALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)nc2ccccc12 ZINC000095945704 564142185 /nfs/dbraw/zinc/14/21/85/564142185.db2.gz SMIOJILCVNCYFZ-MRXNPFEDSA-N 1 2 332.831 3.806 50 0 EHAALO c1sc2ccccc2c1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000095958440 564142644 /nfs/dbraw/zinc/14/26/44/564142644.db2.gz QAAXSNBOGRJHMG-UHFFFAOYSA-N 1 2 325.437 3.745 50 0 EHAALO C[C@H]([NH2+]Cc1csc([C@@H]2CCCO2)n1)c1ccc2c(c1)OCCO2 ZINC000095984273 564143840 /nfs/dbraw/zinc/14/38/40/564143840.db2.gz BUNDBLXGKLNYFN-LRDDRELGSA-N 1 2 346.452 3.617 50 0 EHAALO CC[C@@H](CO)[N@H+](Cc1csc([C@H](C)OC)n1)Cc1ccccc1 ZINC000096012861 564144768 /nfs/dbraw/zinc/14/47/68/564144768.db2.gz CFBZNWYCGZQAIU-YOEHRIQHSA-N 1 2 334.485 3.624 50 0 EHAALO CC[C@@H](CO)[N@@H+](Cc1csc([C@H](C)OC)n1)Cc1ccccc1 ZINC000096012861 564144769 /nfs/dbraw/zinc/14/47/69/564144769.db2.gz CFBZNWYCGZQAIU-YOEHRIQHSA-N 1 2 334.485 3.624 50 0 EHAALO CCn1nc(C)c(C[NH2+]Cc2csc(-c3cccs3)n2)c1C ZINC000096403975 564147225 /nfs/dbraw/zinc/14/72/25/564147225.db2.gz MSAWOUIIRJTFNZ-UHFFFAOYSA-N 1 2 332.498 3.995 50 0 EHAALO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1nnc3n1CCCCC3)CCCO2 ZINC000096476377 564148444 /nfs/dbraw/zinc/14/84/44/564148444.db2.gz NKBLFPZNNVJOSH-QGZVFWFLSA-N 1 2 340.471 3.625 50 0 EHAALO O=C(c1cc(Cl)c2ccccc2n1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000283065379 564148847 /nfs/dbraw/zinc/14/88/47/564148847.db2.gz PDZMEJIRAXPGFV-MRXNPFEDSA-N 1 2 340.814 3.979 50 0 EHAALO CCCC(=O)Nc1ccc2c(c1)nc1n2CC[N@@H+](C2CCCCC2)C1 ZINC000057218387 564153415 /nfs/dbraw/zinc/15/34/15/564153415.db2.gz SDGXCWVWRXLJOO-UHFFFAOYSA-N 1 2 340.471 3.923 50 0 EHAALO CCCC(=O)Nc1ccc2c(c1)nc1n2CC[N@H+](C2CCCCC2)C1 ZINC000057218387 564153416 /nfs/dbraw/zinc/15/34/16/564153416.db2.gz SDGXCWVWRXLJOO-UHFFFAOYSA-N 1 2 340.471 3.923 50 0 EHAALO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000057568035 564154968 /nfs/dbraw/zinc/15/49/68/564154968.db2.gz ARVQIPNBNKWKBB-BBATYDOGSA-N 1 2 348.368 3.774 50 0 EHAALO COc1ccccc1-c1nc(CSc2nc(N)cc(C)[nH+]2)cs1 ZINC000057648964 564155295 /nfs/dbraw/zinc/15/52/95/564155295.db2.gz GTTWYCJKCBKOIR-UHFFFAOYSA-N 1 2 344.465 3.792 50 0 EHAALO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)c3cnccn3)cc12 ZINC000003626298 564159231 /nfs/dbraw/zinc/15/92/31/564159231.db2.gz CVEJBQCQFWDJOU-UHFFFAOYSA-N 1 2 347.422 3.576 50 0 EHAALO COc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008128344 564162966 /nfs/dbraw/zinc/16/29/66/564162966.db2.gz BAQZDONNHMFIIC-LLVKDONJSA-N 1 2 338.860 3.869 50 0 EHAALO COc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008128344 564162967 /nfs/dbraw/zinc/16/29/67/564162967.db2.gz BAQZDONNHMFIIC-LLVKDONJSA-N 1 2 338.860 3.869 50 0 EHAALO Cc1sc2[nH]c(C[NH+]3CCCC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000008344741 564164642 /nfs/dbraw/zinc/16/46/42/564164642.db2.gz NPCVDBOWNHDHEW-UHFFFAOYSA-N 1 2 339.464 3.864 50 0 EHAALO c1sc(-c2ccccc2)nc1CN1CCc2c([nH+]cn2C2CC2)C1 ZINC000069437905 564169488 /nfs/dbraw/zinc/16/94/88/564169488.db2.gz JNUMWAOXAIFFNJ-UHFFFAOYSA-N 1 2 336.464 3.900 50 0 EHAALO Cc1cccn2cc(CC(=O)N3CCCCC[C@@H]3c3ccncc3)[nH+]c12 ZINC000069527789 564170191 /nfs/dbraw/zinc/17/01/91/564170191.db2.gz VGTVWZGOZDUQEI-LJQANCHMSA-N 1 2 348.450 3.724 50 0 EHAALO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CCOc2ccccc21 ZINC000069775737 564172156 /nfs/dbraw/zinc/17/21/56/564172156.db2.gz QCGMFTOFNXLODR-SFHVURJKSA-N 1 2 348.406 3.577 50 0 EHAALO O=C(NCCc1[nH+]ccn1C(F)F)N(CC1CC1)C1CCCCC1 ZINC000069827271 564172371 /nfs/dbraw/zinc/17/23/71/564172371.db2.gz QXTOJBRHKPZKEY-UHFFFAOYSA-N 1 2 340.418 3.575 50 0 EHAALO C[C@@H]1CCc2c(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)csc2C1 ZINC000069976283 564173061 /nfs/dbraw/zinc/17/30/61/564173061.db2.gz OBMJYJXVUFZKJP-KGLIPLIRSA-N 1 2 329.469 3.547 50 0 EHAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2ncc(-c3ccc(F)cc3)o2)cn1 ZINC000071797266 564175395 /nfs/dbraw/zinc/17/53/95/564175395.db2.gz OTKHXJVSMCEMMG-MRXNPFEDSA-N 1 2 326.375 3.551 50 0 EHAALO Cn1cc([C@H]2CCC[N@H+]2Cc2ncc(-c3ccc(F)cc3)o2)cn1 ZINC000071797266 564175396 /nfs/dbraw/zinc/17/53/96/564175396.db2.gz OTKHXJVSMCEMMG-MRXNPFEDSA-N 1 2 326.375 3.551 50 0 EHAALO Cn1cc([C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc(F)c(F)c3)n2)cn1 ZINC000071799283 564175449 /nfs/dbraw/zinc/17/54/49/564175449.db2.gz MOMMCOOLCQASHQ-KRWDZBQOSA-N 1 2 344.365 3.690 50 0 EHAALO Cn1cc([C@@H]2CCC[N@H+]2Cc2coc(-c3ccc(F)c(F)c3)n2)cn1 ZINC000071799283 564175450 /nfs/dbraw/zinc/17/54/50/564175450.db2.gz MOMMCOOLCQASHQ-KRWDZBQOSA-N 1 2 344.365 3.690 50 0 EHAALO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1ccco1)CCO2 ZINC000014989998 1015201079 /nfs/dbraw/zinc/20/10/79/1015201079.db2.gz NCWWYZXPKWCEKA-NRFANRHFSA-N 1 2 349.430 3.950 50 0 EHAALO O[C@@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1ccco1)CCO2 ZINC000014989998 1015201087 /nfs/dbraw/zinc/20/10/87/1015201087.db2.gz NCWWYZXPKWCEKA-NRFANRHFSA-N 1 2 349.430 3.950 50 0 EHAALO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000338169959 1018721102 /nfs/dbraw/zinc/72/11/02/1018721102.db2.gz IGHWMTCPEMKSIH-HXUWFJFHSA-N 1 2 331.419 3.561 50 0 EHAALO Cc1noc(C[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000329833492 1040773546 /nfs/dbraw/zinc/77/35/46/1040773546.db2.gz KSMABAMDXHYPOF-LBPRGKRZSA-N 1 2 342.226 3.728 50 0 EHAALO Cc1noc(C[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000329833492 1040773555 /nfs/dbraw/zinc/77/35/55/1040773555.db2.gz KSMABAMDXHYPOF-LBPRGKRZSA-N 1 2 342.226 3.728 50 0 EHAALO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4cc[nH]n4)C3)ccc2c1 ZINC000011817350 1129001572 /nfs/dbraw/zinc/00/15/72/1129001572.db2.gz ZNLXRAUIEXRFJQ-GOSISDBHSA-N 1 2 349.434 3.666 50 0 EHAALO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4cc[nH]n4)C3)ccc2c1 ZINC000011817350 1129001578 /nfs/dbraw/zinc/00/15/78/1129001578.db2.gz ZNLXRAUIEXRFJQ-GOSISDBHSA-N 1 2 349.434 3.666 50 0 EHAALO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378071473 1131159328 /nfs/dbraw/zinc/15/93/28/1131159328.db2.gz FRFKIZLWRNYWID-UHFFFAOYSA-N 1 2 348.450 3.790 50 0 EHAALO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378071473 1131159332 /nfs/dbraw/zinc/15/93/32/1131159332.db2.gz FRFKIZLWRNYWID-UHFFFAOYSA-N 1 2 348.450 3.790 50 0 EHAALO CC(C)(C)n1cc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)nn1 ZINC000191561793 1136760967 /nfs/dbraw/zinc/76/09/67/1136760967.db2.gz OQHDCOZMMSSBLS-OAHLLOKOSA-N 1 2 334.851 3.690 50 0 EHAALO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccccc1-c1ncc[nH]1 ZINC000952881046 1137483526 /nfs/dbraw/zinc/48/35/26/1137483526.db2.gz DRHMGSWEHBGWOG-UHFFFAOYSA-N 1 2 347.426 3.584 50 0 EHAALO Cc1ccc(NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000055087916 214271310 /nfs/dbraw/zinc/27/13/10/214271310.db2.gz PPLZYUFXKXIMSK-VMPITWQZSA-N 1 2 335.451 3.858 50 0 EHAALO CC(=O)Oc1c(C)cc(C[N@@H+]2CCCC[C@H]2c2nc(C)no2)cc1C ZINC000055360957 214311716 /nfs/dbraw/zinc/31/17/16/214311716.db2.gz KVCFGEKZVUZXOF-KRWDZBQOSA-N 1 2 343.427 3.647 50 0 EHAALO CC(=O)Oc1c(C)cc(C[N@H+]2CCCC[C@H]2c2nc(C)no2)cc1C ZINC000055360957 214311719 /nfs/dbraw/zinc/31/17/19/214311719.db2.gz KVCFGEKZVUZXOF-KRWDZBQOSA-N 1 2 343.427 3.647 50 0 EHAALO Cc1oc(-c2ccccc2Cl)cc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000055393237 214317503 /nfs/dbraw/zinc/31/75/03/214317503.db2.gz AHCMUPISFHAMEN-UHFFFAOYSA-N 1 2 329.787 3.604 50 0 EHAALO Cc1oc(-c2ccccc2Cl)cc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000055393237 214317506 /nfs/dbraw/zinc/31/75/06/214317506.db2.gz AHCMUPISFHAMEN-UHFFFAOYSA-N 1 2 329.787 3.604 50 0 EHAALO Cn1cc[nH+]c1CNc1ccc(Br)c(C(F)(F)F)c1 ZINC000049801870 214032909 /nfs/dbraw/zinc/03/29/09/214032909.db2.gz RIYHYXRIKQPPQP-UHFFFAOYSA-N 1 2 334.139 3.814 50 0 EHAALO O=C(COc1ccc(Cl)cc1)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC000004625781 210233851 /nfs/dbraw/zinc/23/38/51/210233851.db2.gz MWVVQLHTVKSMFF-UHFFFAOYSA-N 1 2 341.798 3.602 50 0 EHAALO COc1cc(F)ccc1NC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000065621731 214983506 /nfs/dbraw/zinc/98/35/06/214983506.db2.gz ZSSODXJBOCTGAH-UHFFFAOYSA-N 1 2 339.370 3.700 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000102850288 219235733 /nfs/dbraw/zinc/23/57/33/219235733.db2.gz PHZLPHZRJXZEJO-IUODEOHRSA-N 1 2 342.468 3.626 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000102850288 219235735 /nfs/dbraw/zinc/23/57/35/219235735.db2.gz PHZLPHZRJXZEJO-IUODEOHRSA-N 1 2 342.468 3.626 50 0 EHAALO Cc1[nH]c2c(c1CC(=O)Nc1c[nH+]c3n1CCCC3)c(C)ccc2C ZINC000067540208 215158792 /nfs/dbraw/zinc/15/87/92/215158792.db2.gz DSYNTZUXKCMHHZ-UHFFFAOYSA-N 1 2 336.439 3.807 50 0 EHAALO CCc1[nH]c(C)c(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)[nH+]1 ZINC000067841713 215226674 /nfs/dbraw/zinc/22/66/74/215226674.db2.gz FMSRECQABHNPQH-MRXNPFEDSA-N 1 2 336.439 3.990 50 0 EHAALO O=C(Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)c1cc(C2CC2)[nH]n1 ZINC000040156352 213274875 /nfs/dbraw/zinc/27/48/75/213274875.db2.gz PCUVUTJBHILYPJ-UHFFFAOYSA-N 1 2 347.422 3.739 50 0 EHAALO CC(=O)Nc1cccc(-n2cc[nH+]c2-c2cccc(-n3cccn3)c2)c1 ZINC000072140136 216025910 /nfs/dbraw/zinc/02/59/10/216025910.db2.gz FQGQAWFITNRLJR-UHFFFAOYSA-N 1 2 343.390 3.683 50 0 EHAALO C[C@H](Sc1[nH+]cc2ccccn21)c1ccc(S(C)(=O)=O)cc1 ZINC000189805151 237268365 /nfs/dbraw/zinc/26/83/65/237268365.db2.gz WJSFBFNBUGHALN-LBPRGKRZSA-N 1 2 332.450 3.591 50 0 EHAALO Cc1cccc(CN2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c1 ZINC000072147486 216035172 /nfs/dbraw/zinc/03/51/72/216035172.db2.gz OPYBJBJFANHNSK-UHFFFAOYSA-N 1 2 346.478 3.703 50 0 EHAALO CCc1ccc(NC(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2)cc1 ZINC000072165603 216054380 /nfs/dbraw/zinc/05/43/80/216054380.db2.gz CRPYBYXSQZUIQC-GOSISDBHSA-N 1 2 326.444 3.922 50 0 EHAALO CCCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OC)cc2OC)no1 ZINC000021720243 212244737 /nfs/dbraw/zinc/24/47/37/212244737.db2.gz DXJOKQNOLLYTCM-GOSISDBHSA-N 1 2 330.428 3.981 50 0 EHAALO CCCc1cc([C@H]2CCC[N@H+]2Cc2ccc(OC)cc2OC)no1 ZINC000021720243 212244740 /nfs/dbraw/zinc/24/47/40/212244740.db2.gz DXJOKQNOLLYTCM-GOSISDBHSA-N 1 2 330.428 3.981 50 0 EHAALO CSc1cnc(NCc2[nH+]ccn2CCCc2ccccc2)nc1 ZINC000225822027 242053754 /nfs/dbraw/zinc/05/37/54/242053754.db2.gz QMKGEUFNOIFGPQ-UHFFFAOYSA-N 1 2 339.468 3.640 50 0 EHAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(CC)cc1 ZINC000021659892 212237927 /nfs/dbraw/zinc/23/79/27/212237927.db2.gz KXRQCNXBIRQWPV-KRWDZBQOSA-N 1 2 338.451 3.991 50 0 EHAALO CCCCCCSc1nc2sc3c(c2c(N)n1)CC[N@H+](C)C3 ZINC000020391490 212124263 /nfs/dbraw/zinc/12/42/63/212124263.db2.gz YBHGRXMVLSIKHC-UHFFFAOYSA-N 1 2 336.530 3.934 50 0 EHAALO CCCCCCSc1nc2sc3c(c2c(N)n1)CC[N@@H+](C)C3 ZINC000020391490 212124264 /nfs/dbraw/zinc/12/42/64/212124264.db2.gz YBHGRXMVLSIKHC-UHFFFAOYSA-N 1 2 336.530 3.934 50 0 EHAALO COc1cccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000019781720 212065880 /nfs/dbraw/zinc/06/58/80/212065880.db2.gz ZPMXIHNFVHAIJS-UHFFFAOYSA-N 1 2 330.859 3.666 50 0 EHAALO C[NH+]1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000019774635 212063867 /nfs/dbraw/zinc/06/38/67/212063867.db2.gz LKEMJHAHYXGXNL-UHFFFAOYSA-N 1 2 329.252 3.596 50 0 EHAALO O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1C[NH+]1CCCCC1 ZINC000019202223 212003934 /nfs/dbraw/zinc/00/39/34/212003934.db2.gz LKVBVFWPOJMITA-GXDHUFHOSA-N 1 2 336.844 3.820 50 0 EHAALO O=c1ccc(-c2cccc3ccccc32)nn1C[NH+]1CCCCCC1 ZINC000079478034 217230211 /nfs/dbraw/zinc/23/02/11/217230211.db2.gz SSYSNDPVROEECT-UHFFFAOYSA-N 1 2 333.435 3.897 50 0 EHAALO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc1F ZINC000012507481 211394685 /nfs/dbraw/zinc/39/46/85/211394685.db2.gz ROYNSSQTPFWEPN-KRWDZBQOSA-N 1 2 341.361 3.526 50 0 EHAALO CN(Cc1ccccc1)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000011816433 211249748 /nfs/dbraw/zinc/24/97/48/211249748.db2.gz MTPJENQWFACSFO-UHFFFAOYSA-N 1 2 349.434 3.579 50 0 EHAALO CN(Cc1ccccc1)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000011816433 211249751 /nfs/dbraw/zinc/24/97/51/211249751.db2.gz MTPJENQWFACSFO-UHFFFAOYSA-N 1 2 349.434 3.579 50 0 EHAALO O=C(N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1ccc(Cl)cc1 ZINC000010644022 211183829 /nfs/dbraw/zinc/18/38/29/211183829.db2.gz MNIARBXCTFSPNC-MRXNPFEDSA-N 1 2 325.799 3.777 50 0 EHAALO Cc1cc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc[nH+]1 ZINC000009454728 211086123 /nfs/dbraw/zinc/08/61/23/211086123.db2.gz XSFJGWWVADKTNG-UHFFFAOYSA-N 1 2 337.404 3.956 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000009157090 211047098 /nfs/dbraw/zinc/04/70/98/211047098.db2.gz IBWBJZDEJQMLGO-SFHVURJKSA-N 1 2 339.826 3.522 50 0 EHAALO O=C1CC2(CN1CCCc1ccccc1)CCN(c1cccc[nH+]1)CC2 ZINC000095357119 218290427 /nfs/dbraw/zinc/29/04/27/218290427.db2.gz SENQWEJBSZZPNB-UHFFFAOYSA-N 1 2 349.478 3.533 50 0 EHAALO CC(C)c1noc(CN2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)n1 ZINC000095366386 218299358 /nfs/dbraw/zinc/29/93/58/218299358.db2.gz FLVMADNEUVFVDV-MRXNPFEDSA-N 1 2 343.475 3.569 50 0 EHAALO CC(C)c1noc(C[N@@H+]2CCC[C@@H](c3nccn3CC3CCC3)C2)n1 ZINC000095366386 218299359 /nfs/dbraw/zinc/29/93/59/218299359.db2.gz FLVMADNEUVFVDV-MRXNPFEDSA-N 1 2 343.475 3.569 50 0 EHAALO CC(C)c1noc(C[N@H+]2CCC[C@@H](c3nccn3CC3CCC3)C2)n1 ZINC000095366386 218299361 /nfs/dbraw/zinc/29/93/61/218299361.db2.gz FLVMADNEUVFVDV-MRXNPFEDSA-N 1 2 343.475 3.569 50 0 EHAALO CC(=O)c1c(C)cc(C)c(CN2CCc3c([nH+]cn3C3CC3)C2)c1C ZINC000095394563 218326688 /nfs/dbraw/zinc/32/66/88/218326688.db2.gz XBHSRIATNQBJTN-UHFFFAOYSA-N 1 2 337.467 3.904 50 0 EHAALO c1cn(Cc2ccccc2)c(CNc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000095428534 218371255 /nfs/dbraw/zinc/37/12/55/218371255.db2.gz STVLVJLANPWPQE-UHFFFAOYSA-N 1 2 329.407 3.729 50 0 EHAALO Cc1cccc2[nH+]c(C[S@@](=O)[C@H]3CCc4c3cccc4F)cn21 ZINC000095440966 218385185 /nfs/dbraw/zinc/38/51/85/218385185.db2.gz HIGJEWZLDGVQPP-SBUREZEXSA-N 1 2 328.412 3.718 50 0 EHAALO Cc1[nH+]c2cc(NC(=O)c3cccnc3C(F)(F)F)ccc2n1C ZINC000097230399 219000117 /nfs/dbraw/zinc/00/01/17/219000117.db2.gz LYVFNUJHWWCCMQ-UHFFFAOYSA-N 1 2 334.301 3.548 50 0 EHAALO Fc1ccccc1N1CC[NH+](Cc2ccccc2Br)CC1 ZINC000055542893 132195205 /nfs/dbraw/zinc/19/52/05/132195205.db2.gz JKXAGLFDEWGOHH-UHFFFAOYSA-N 1 2 349.247 3.910 50 0 EHAALO O=C(OCc1c(F)cccc1Cl)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000040151857 132398943 /nfs/dbraw/zinc/39/89/43/132398943.db2.gz IQAQRMXBZFEFJB-ZDUSSCGKSA-N 1 2 348.805 3.834 50 0 EHAALO O=C(CCCc1cccs1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000029027163 526462085 /nfs/dbraw/zinc/46/20/85/526462085.db2.gz OVIASVHSFGGBPI-UHFFFAOYSA-N 1 2 339.464 3.632 50 0 EHAALO FC(F)(Cl)[C@H](CCc1ccccc1)[NH2+]CCCn1cccn1 ZINC000095996867 564144270 /nfs/dbraw/zinc/14/42/70/564144270.db2.gz SSMDFBIKWIGYDE-HNNXBMFYSA-N 1 2 327.806 3.696 50 0 EHAALO COc1ccc(CNc2[nH+]cnc3c2cnn3-c2cccc(C)c2)cc1 ZINC000000426471 563310025 /nfs/dbraw/zinc/31/00/25/563310025.db2.gz KSESLOVJGZDCDV-UHFFFAOYSA-N 1 2 345.406 3.745 50 0 EHAALO Cc1cc(-c2nnc(NCc3ccc(-n4cc[nH+]c4)cc3)o2)c(C)o1 ZINC000097375467 563602428 /nfs/dbraw/zinc/60/24/28/563602428.db2.gz RTRCEMYTDZIABH-UHFFFAOYSA-N 1 2 335.367 3.744 50 0 EHAALO CCc1noc(C)c1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000097378552 563610114 /nfs/dbraw/zinc/61/01/14/563610114.db2.gz SJTHFSBPMYGNBF-LBPRGKRZSA-N 1 2 348.472 3.518 50 0 EHAALO Cc1[nH]c2ccccc2c1C(=O)C[N@H+](C)CCOc1ccccc1F ZINC000012813173 563674810 /nfs/dbraw/zinc/67/48/10/563674810.db2.gz BUNHNGRFWYNBLO-UHFFFAOYSA-N 1 2 340.398 3.809 50 0 EHAALO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)CCOc1ccccc1F ZINC000012813173 563674812 /nfs/dbraw/zinc/67/48/12/563674812.db2.gz BUNHNGRFWYNBLO-UHFFFAOYSA-N 1 2 340.398 3.809 50 0 EHAALO CC(C)(CNC(=O)c1ccc(C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000012993127 563682748 /nfs/dbraw/zinc/68/27/48/563682748.db2.gz SDRLTVWZMCKFPY-UHFFFAOYSA-N 1 2 344.499 3.575 50 0 EHAALO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000016604272 563816629 /nfs/dbraw/zinc/81/66/29/563816629.db2.gz YQQYDZQHUVZHRU-UHFFFAOYSA-N 1 2 334.872 3.668 50 0 EHAALO CCOc1c(Cl)cccc1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000069846684 563860030 /nfs/dbraw/zinc/86/00/30/563860030.db2.gz GOEVXBHBLWTGAR-UHFFFAOYSA-N 1 2 348.834 3.593 50 0 EHAALO C[C@H](NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000025416513 563884605 /nfs/dbraw/zinc/88/46/05/563884605.db2.gz KSXVGKMQYIHBDE-JTSKRJEESA-N 1 2 345.446 3.638 50 0 EHAALO O=C(NCCNc1cccc[nH+]1)C1c2ccccc2Oc2ccccc21 ZINC000070017705 563901204 /nfs/dbraw/zinc/90/12/04/563901204.db2.gz CWKSENSHRPNDTL-UHFFFAOYSA-N 1 2 345.402 3.548 50 0 EHAALO COc1ccc2sc(C(=O)NCCCCn3cc[nH+]c3)c(C)c2c1 ZINC000072297187 563912570 /nfs/dbraw/zinc/91/25/70/563912570.db2.gz ANILWKHCUIEDPW-UHFFFAOYSA-N 1 2 343.452 3.625 50 0 EHAALO CCCc1nc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cs1 ZINC000072299940 563912725 /nfs/dbraw/zinc/91/27/25/563912725.db2.gz OASGLMWKCFQUQO-CYBMUJFWSA-N 1 2 332.473 3.736 50 0 EHAALO CCCc1nc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cs1 ZINC000072299940 563912726 /nfs/dbraw/zinc/91/27/26/563912726.db2.gz OASGLMWKCFQUQO-CYBMUJFWSA-N 1 2 332.473 3.736 50 0 EHAALO CC1CC[NH+](Cc2csc(NC(=O)Cc3cccs3)n2)CC1 ZINC000032988446 563920866 /nfs/dbraw/zinc/92/08/66/563920866.db2.gz KGNZUPYTLYPVOQ-UHFFFAOYSA-N 1 2 335.498 3.618 50 0 EHAALO Cc1ccccc1NC(=S)N1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000013543553 563929844 /nfs/dbraw/zinc/92/98/44/563929844.db2.gz PCFYVQPMXRBNFB-UHFFFAOYSA-N 1 2 343.471 3.996 50 0 EHAALO Cc1ccccc1NC(=S)N1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000013543553 563929845 /nfs/dbraw/zinc/92/98/45/563929845.db2.gz PCFYVQPMXRBNFB-UHFFFAOYSA-N 1 2 343.471 3.996 50 0 EHAALO Cc1cc(N2CCCC2)[nH+]c2ccc(NC(=S)NC(C)C)cc12 ZINC000013574190 563930374 /nfs/dbraw/zinc/93/03/74/563930374.db2.gz LZLWVJTYIZYIIG-UHFFFAOYSA-N 1 2 328.485 3.838 50 0 EHAALO CCN(Cc1ccccc1Cl)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058091631 563937455 /nfs/dbraw/zinc/93/74/55/563937455.db2.gz YHQCDLTZWKCMMV-UHFFFAOYSA-N 1 2 340.814 3.583 50 0 EHAALO C[C@H](NC(=O)CCOCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000058153627 563937874 /nfs/dbraw/zinc/93/78/74/563937874.db2.gz VJVQMOZPDZVMNZ-KRWDZBQOSA-N 1 2 349.434 3.656 50 0 EHAALO CC(C)(C)n1ccn(C[NH+]2CCN(c3ccccc3)CC2)c1=S ZINC000058177626 563939108 /nfs/dbraw/zinc/93/91/08/563939108.db2.gz XZOCWNZFYZHSLA-UHFFFAOYSA-N 1 2 330.501 3.554 50 0 EHAALO Fc1ccc(-c2ccc(C[NH2+]Cc3nnc4n3CCCCC4)o2)cc1 ZINC000058264051 563940970 /nfs/dbraw/zinc/94/09/70/563940970.db2.gz ZXHNLEAFKUVVQJ-UHFFFAOYSA-N 1 2 340.402 3.693 50 0 EHAALO O=C(c1cc(Cl)cc2cccnc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000058327792 563942600 /nfs/dbraw/zinc/94/26/00/563942600.db2.gz WMJAMDCDSQGYPN-UHFFFAOYSA-N 1 2 340.814 3.562 50 0 EHAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCOc1ccccc1-c1ccccc1 ZINC000058406654 563945055 /nfs/dbraw/zinc/94/50/55/563945055.db2.gz IMKLBULQZIGDJA-KRWDZBQOSA-N 1 2 349.434 3.524 50 0 EHAALO Cc1cc(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)cc[nH+]1 ZINC000096426486 563952092 /nfs/dbraw/zinc/95/20/92/563952092.db2.gz NWXNREKDUYUGPM-UHFFFAOYSA-N 1 2 329.375 3.766 50 0 EHAALO Cc1c(CSC(C)C)cccc1NC(=O)NCc1[nH+]ccn1C ZINC000096435337 563952470 /nfs/dbraw/zinc/95/24/70/563952470.db2.gz XPRXNKRXOHXIML-UHFFFAOYSA-N 1 2 332.473 3.692 50 0 EHAALO Cc1ccccc1-c1noc(C[NH2+]Cc2ccccc2-n2cccn2)n1 ZINC000065409324 563960403 /nfs/dbraw/zinc/96/04/03/563960403.db2.gz UPWPOGGJJZJZNR-UHFFFAOYSA-N 1 2 345.406 3.521 50 0 EHAALO O[C@H](COc1ccc(-c2[nH+]cc3n2CCCC3)cc1)CC(F)(F)F ZINC000284024727 563962890 /nfs/dbraw/zinc/96/28/90/563962890.db2.gz QTQDSRJAGPILLT-AWEZNQCLSA-N 1 2 340.345 3.579 50 0 EHAALO O=c1c2cc(Cl)ccc2[nH]c2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000033129293 563963645 /nfs/dbraw/zinc/96/36/45/563963645.db2.gz XRBXGUYEIVKOQE-UHFFFAOYSA-N 1 2 342.801 3.879 50 0 EHAALO O=c1c2cc(Cl)ccc2[nH]c2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000033129293 563963646 /nfs/dbraw/zinc/96/36/46/563963646.db2.gz XRBXGUYEIVKOQE-UHFFFAOYSA-N 1 2 342.801 3.879 50 0 EHAALO CC(C)c1[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[nH+]1 ZINC000071375836 563964221 /nfs/dbraw/zinc/96/42/21/563964221.db2.gz PQKDWIGUXGMHPU-UHFFFAOYSA-N 1 2 333.388 3.626 50 0 EHAALO COc1ccc(-c2nc(C[N@H+](C)Cc3cccnc3)c(C)o2)c(F)c1 ZINC000071747035 563965006 /nfs/dbraw/zinc/96/50/06/563965006.db2.gz SOAHYMPVYMDWTB-UHFFFAOYSA-N 1 2 341.386 3.825 50 0 EHAALO COc1ccc(-c2nc(C[N@@H+](C)Cc3cccnc3)c(C)o2)c(F)c1 ZINC000071747035 563965007 /nfs/dbraw/zinc/96/50/07/563965007.db2.gz SOAHYMPVYMDWTB-UHFFFAOYSA-N 1 2 341.386 3.825 50 0 EHAALO Cc1ccc2[nH+]cc(CNc3ccc(C(=O)NC(C)C)c(C)c3)n2c1 ZINC000097235449 563970847 /nfs/dbraw/zinc/97/08/47/563970847.db2.gz NGSUPYPCHNXAHC-UHFFFAOYSA-N 1 2 336.439 3.701 50 0 EHAALO O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000127526989 563971175 /nfs/dbraw/zinc/97/11/75/563971175.db2.gz QYSQJALRYYERAG-OLZOCXBDSA-N 1 2 344.381 3.767 50 0 EHAALO C[C@H]([NH2+]Cc1csc([C@@H]2CCCO2)n1)c1ccc2c(c1)OCO2 ZINC000097033045 563971199 /nfs/dbraw/zinc/97/11/99/563971199.db2.gz AAGBUSFOFZHMMB-NHYWBVRUSA-N 1 2 332.425 3.574 50 0 EHAALO O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082157331 563972777 /nfs/dbraw/zinc/97/27/77/563972777.db2.gz AYIBINOQXHGKHE-KRWDZBQOSA-N 1 2 348.450 3.794 50 0 EHAALO Cc1nc2ccccn2c1CN(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000095509206 563977228 /nfs/dbraw/zinc/97/72/28/563977228.db2.gz VTODOTUJRUSDJS-UHFFFAOYSA-N 1 2 337.427 3.627 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2cccn2C)c1C ZINC000248157389 563995399 /nfs/dbraw/zinc/99/53/99/563995399.db2.gz WCFKXMADLVLUML-PBHICJAKSA-N 1 2 341.455 3.581 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2cccn2C)c1C ZINC000248157389 563995400 /nfs/dbraw/zinc/99/54/00/563995400.db2.gz WCFKXMADLVLUML-PBHICJAKSA-N 1 2 341.455 3.581 50 0 EHAALO CCCc1noc([C@@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000045914038 564028879 /nfs/dbraw/zinc/02/88/79/564028879.db2.gz DCTXTLBSHSXOOT-KDOFPFPSSA-N 1 2 329.444 3.529 50 0 EHAALO Cc1oc(-c2ccccc2)nc1CNC[C@H](c1ccco1)[NH+](C)C ZINC000048261124 564030300 /nfs/dbraw/zinc/03/03/00/564030300.db2.gz LFSWGJDVPQMKPD-QGZVFWFLSA-N 1 2 325.412 3.636 50 0 EHAALO Cc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000220117877 564035832 /nfs/dbraw/zinc/03/58/32/564035832.db2.gz LRFGVXHVPGGSAO-CQSZACIVSA-N 1 2 337.345 3.628 50 0 EHAALO Cc1cc(C)cc(OCC(=O)N[C@@H](Cc2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000012539244 564058469 /nfs/dbraw/zinc/05/84/69/564058469.db2.gz XLFDXEQISYOVAG-IBGZPJMESA-N 1 2 349.434 3.506 50 0 EHAALO Cc1cc(C)cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c1 ZINC000012551308 564059170 /nfs/dbraw/zinc/05/91/70/564059170.db2.gz RWAFAABVHNGTRG-GOSISDBHSA-N 1 2 337.398 3.695 50 0 EHAALO O=C(CN1c2ccccc2C2=[NH+]CCN21)c1cccc2ccccc21 ZINC000085421511 564072998 /nfs/dbraw/zinc/07/29/98/564072998.db2.gz QCNFKISMFYGQFW-UHFFFAOYSA-N 1 2 327.387 3.520 50 0 EHAALO O=C(Nc1cccc(-c2c[nH+]c3n2CCC3)c1)c1ccc2[nH]cnc2c1 ZINC000085556814 564073956 /nfs/dbraw/zinc/07/39/56/564073956.db2.gz IZTAGYVDSJGOCM-UHFFFAOYSA-N 1 2 343.390 3.625 50 0 EHAALO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000186164695 564076774 /nfs/dbraw/zinc/07/67/74/564076774.db2.gz OJNMSXBALFXLHZ-UHFFFAOYSA-N 1 2 345.752 3.718 50 0 EHAALO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000012915110 564078014 /nfs/dbraw/zinc/07/80/14/564078014.db2.gz WJIKDAXYDGORCT-INIZCTEOSA-N 1 2 326.375 3.551 50 0 EHAALO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000012915110 564078015 /nfs/dbraw/zinc/07/80/15/564078015.db2.gz WJIKDAXYDGORCT-INIZCTEOSA-N 1 2 326.375 3.551 50 0 EHAALO Cc1nnc(CCC[N@@H+]2C[C@@H](c3ccccc3Cl)OCC2(C)C)o1 ZINC000092796693 564089022 /nfs/dbraw/zinc/08/90/22/564089022.db2.gz SDCAPRHPNRSQBA-INIZCTEOSA-N 1 2 349.862 3.816 50 0 EHAALO Cc1nnc(CCC[N@H+]2C[C@@H](c3ccccc3Cl)OCC2(C)C)o1 ZINC000092796693 564089023 /nfs/dbraw/zinc/08/90/23/564089023.db2.gz SDCAPRHPNRSQBA-INIZCTEOSA-N 1 2 349.862 3.816 50 0 EHAALO CC(C)c1noc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192077247 564090008 /nfs/dbraw/zinc/09/00/08/564090008.db2.gz HPGPYDITURIIHT-DZGCQCFKSA-N 1 2 339.798 3.605 50 0 EHAALO CC(=O)N(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000006689286 564095859 /nfs/dbraw/zinc/09/58/59/564095859.db2.gz PTXIFAZXLGPQCW-UHFFFAOYSA-N 1 2 340.254 3.995 50 0 EHAALO O=C(CSc1ccc(O)cc1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000156281403 564099083 /nfs/dbraw/zinc/09/90/83/564099083.db2.gz BYEWRSBOORUKBJ-UHFFFAOYSA-N 1 2 325.393 3.513 50 0 EHAALO c1c(CSc2nnc(-c3ccncc3)n2C2CC2)[nH+]c2ccccn12 ZINC000006934663 564101845 /nfs/dbraw/zinc/10/18/45/564101845.db2.gz AAJVYHBPNKNBPD-UHFFFAOYSA-N 1 2 348.435 3.615 50 0 EHAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1Cl ZINC000065201673 564102677 /nfs/dbraw/zinc/10/26/77/564102677.db2.gz AQMGQGKNKOTZMT-UHFFFAOYSA-N 1 2 329.762 3.595 50 0 EHAALO Cn1c(CNc2cc[nH+]c(C3CCCC3)n2)nc2ccc(F)cc21 ZINC000170598715 564109217 /nfs/dbraw/zinc/10/92/17/564109217.db2.gz AVQIJABMHFCHKX-UHFFFAOYSA-N 1 2 325.391 3.772 50 0 EHAALO CCOc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C)CC2 ZINC000170599691 564109245 /nfs/dbraw/zinc/10/92/45/564109245.db2.gz ZGQBSWBLSUUESJ-RZQQEMMASA-N 1 2 344.499 3.527 50 0 EHAALO CCOc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C)CC2 ZINC000170599691 564109246 /nfs/dbraw/zinc/10/92/46/564109246.db2.gz ZGQBSWBLSUUESJ-RZQQEMMASA-N 1 2 344.499 3.527 50 0 EHAALO Cc1ccc(C[N@H+](CCS(C)(=O)=O)[C@@H]2CCc3ccccc32)cc1 ZINC000071812720 564111172 /nfs/dbraw/zinc/11/11/72/564111172.db2.gz FXRUUUAGFJYOGJ-HXUWFJFHSA-N 1 2 343.492 3.529 50 0 EHAALO Cc1ccc(C[N@@H+](CCS(C)(=O)=O)[C@@H]2CCc3ccccc32)cc1 ZINC000071812720 564111173 /nfs/dbraw/zinc/11/11/73/564111173.db2.gz FXRUUUAGFJYOGJ-HXUWFJFHSA-N 1 2 343.492 3.529 50 0 EHAALO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cccc3cccnc32)CC1 ZINC000071819434 564111208 /nfs/dbraw/zinc/11/12/08/564111208.db2.gz VYLQBLPVNJVJBE-KRWDZBQOSA-N 1 2 332.451 3.509 50 0 EHAALO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@@H]1c1cccs1 ZINC000071820821 564111253 /nfs/dbraw/zinc/11/12/53/564111253.db2.gz WNLHWHLRKZEYBW-JKSUJKDBSA-N 1 2 341.480 3.723 50 0 EHAALO CO[C@H](C)CCOC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000089895597 564114907 /nfs/dbraw/zinc/11/49/07/564114907.db2.gz VATLEGMZYHLOGO-GOSISDBHSA-N 1 2 341.451 3.657 50 0 EHAALO COCCc1noc(Cn2c3ccccc3[nH+]c2C2CCCCC2)n1 ZINC000090093739 564116265 /nfs/dbraw/zinc/11/62/65/564116265.db2.gz FNHLSWCSAOCKHL-UHFFFAOYSA-N 1 2 340.427 3.704 50 0 EHAALO O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccc2[nH+]ccn2c1 ZINC000170651829 564120526 /nfs/dbraw/zinc/12/05/26/564120526.db2.gz HQHDIRNBUIWSBF-UHFFFAOYSA-N 1 2 325.343 3.657 50 0 EHAALO CCCCc1nc(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)c[nH]1 ZINC000584887969 564131520 /nfs/dbraw/zinc/13/15/20/564131520.db2.gz PEAQYYVJIGLPCO-UHFFFAOYSA-N 1 2 347.890 3.889 50 0 EHAALO CCCCc1ncc(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)[nH]1 ZINC000584887969 564131521 /nfs/dbraw/zinc/13/15/21/564131521.db2.gz PEAQYYVJIGLPCO-UHFFFAOYSA-N 1 2 347.890 3.889 50 0 EHAALO Cc1[nH+]c2ccccc2c(NC(=O)CCCn2ccnn2)c1C(C)C ZINC000225405799 564134496 /nfs/dbraw/zinc/13/44/96/564134496.db2.gz HUDUYATYUJGRCZ-UHFFFAOYSA-N 1 2 337.427 3.677 50 0 EHAALO CC(C)c1[nH+]c2ccccc2n1C[C@H](O)COC[C@H]1CC=CCC1 ZINC000013228322 564136155 /nfs/dbraw/zinc/13/61/55/564136155.db2.gz FQWFPOQPUQWOHA-IRXDYDNUSA-N 1 2 328.456 3.894 50 0 EHAALO Cc1nc(C[NH+]2CCC(c3nnc(-c4ccsc4)o3)CC2)cs1 ZINC000096024401 564144867 /nfs/dbraw/zinc/14/48/67/564144867.db2.gz YKMFOSNXEYZNRI-UHFFFAOYSA-N 1 2 346.481 3.943 50 0 EHAALO Clc1cccc(-n2ncc3c2nc[nH+]c3N2CCCCCC2)c1 ZINC000008583066 564165812 /nfs/dbraw/zinc/16/58/12/564165812.db2.gz YYGNSGGDBXJGMG-UHFFFAOYSA-N 1 2 327.819 3.849 50 0 EHAALO COc1cc[nH+]cc1NC(=O)c1ccc(-c2ccsc2)nc1C ZINC000069518684 564170112 /nfs/dbraw/zinc/17/01/12/564170112.db2.gz BMHYYXRYIZQSKR-UHFFFAOYSA-N 1 2 325.393 3.774 50 0 EHAALO Cc1ccc2nc(C)cc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000069657062 564171248 /nfs/dbraw/zinc/17/12/48/564171248.db2.gz MYMAKMXMBJRQMA-INIZCTEOSA-N 1 2 334.423 3.525 50 0 EHAALO O=C(c1cc(F)c(Cl)cc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069660369 564171307 /nfs/dbraw/zinc/17/13/07/564171307.db2.gz JZENVJLDLMUOHM-JTQLQIEISA-N 1 2 342.201 3.806 50 0 EHAALO C[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2C1 ZINC000069661904 564171332 /nfs/dbraw/zinc/17/13/32/564171332.db2.gz QAOYJRWAZPQTAM-UKRRQHHQSA-N 1 2 329.469 3.547 50 0 EHAALO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069917433 564172798 /nfs/dbraw/zinc/17/27/98/564172798.db2.gz PCTVQHAOJLBZGA-KRWDZBQOSA-N 1 2 336.439 3.551 50 0 EHAALO O=C(c1ccccc1Oc1cccnc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069919576 564172816 /nfs/dbraw/zinc/17/28/16/564172816.db2.gz YGCQEJPNWYANTE-MRXNPFEDSA-N 1 2 348.406 3.548 50 0 EHAALO Cc1[nH+]cc(NC(=O)C2CC2)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000041124326 564173382 /nfs/dbraw/zinc/17/33/82/564173382.db2.gz YURNTFABHNFMLA-UHFFFAOYSA-N 1 2 342.399 3.792 50 0 EHAALO Clc1cc2cccnc2c(CN2CCc3c([nH+]cn3C3CC3)C2)c1 ZINC000071878890 564176306 /nfs/dbraw/zinc/17/63/06/564176306.db2.gz STMQDUBRCYTPOX-UHFFFAOYSA-N 1 2 338.842 3.978 50 0 EHAALO CCN(CC)c1cc(CNC(=O)Nc2ccc(F)cc2F)cc[nH+]1 ZINC000033280273 564177480 /nfs/dbraw/zinc/17/74/80/564177480.db2.gz AQICHKVRRBQNIQ-UHFFFAOYSA-N 1 2 334.370 3.528 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1C1CN(C(=O)Cc2cccc(F)c2)C1 ZINC000581807681 1132370490 /nfs/dbraw/zinc/37/04/90/1132370490.db2.gz LZHDMYRBSVBQIN-UHFFFAOYSA-N 1 2 349.409 3.624 50 0 EHAALO Cc1c[nH+]c(-c2ccncc2)n1[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000581807690 1132371108 /nfs/dbraw/zinc/37/11/08/1132371108.db2.gz QKEBNQGAQCAKGB-SFHVURJKSA-N 1 2 338.455 3.607 50 0 EHAALO COCOc1ccc(OC)cc1C[NH2+]Cc1nsc2ccccc12 ZINC000585117038 1137006645 /nfs/dbraw/zinc/00/66/45/1137006645.db2.gz PMXBFUWVRRHMOK-UHFFFAOYSA-N 1 2 344.436 3.577 50 0 EHAALO O=c1oc2ccccc2n1Cc1[nH]c2cc(Cl)c(Cl)cc2[nH+]1 ZINC000055225037 214291297 /nfs/dbraw/zinc/29/12/97/214291297.db2.gz MYJSWMXDKJUVOB-UHFFFAOYSA-N 1 2 334.162 3.826 50 0 EHAALO C[C@H](C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)n1cc[nH+]c1 ZINC000056482974 214376886 /nfs/dbraw/zinc/37/68/86/214376886.db2.gz JDQAMWXDJNCRGX-LLVKDONJSA-N 1 2 348.378 3.569 50 0 EHAALO Cc1ccccc1-c1nn2c(C[N@@H+](C)Cc3ccccc3)nnc2s1 ZINC000067239835 215126575 /nfs/dbraw/zinc/12/65/75/215126575.db2.gz PDRKCQQAHFZKFE-UHFFFAOYSA-N 1 2 349.463 3.793 50 0 EHAALO Cc1ccccc1-c1nn2c(C[N@H+](C)Cc3ccccc3)nnc2s1 ZINC000067239835 215126578 /nfs/dbraw/zinc/12/65/78/215126578.db2.gz PDRKCQQAHFZKFE-UHFFFAOYSA-N 1 2 349.463 3.793 50 0 EHAALO C[C@H](c1ccc(O)c(F)c1)n1cc[nH+]c1-c1ccc2c(c1)OCO2 ZINC000067604927 215167238 /nfs/dbraw/zinc/16/72/38/215167238.db2.gz VDEFAYVSMGBJEY-LLVKDONJSA-N 1 2 326.327 3.733 50 0 EHAALO c1cn(Cc2ccccn2)c(-c2ccc(Oc3ncccn3)cc2)[nH+]1 ZINC000067649706 215173534 /nfs/dbraw/zinc/17/35/34/215173534.db2.gz SZPJNVKXIYTRTL-UHFFFAOYSA-N 1 2 329.363 3.576 50 0 EHAALO Cn1c(C(=O)Nc2c[nH+]c3n2CCCC3)cc2cccc(Cl)c21 ZINC000067674366 215178814 /nfs/dbraw/zinc/17/88/14/215178814.db2.gz ZOGIIZARRVGLFB-UHFFFAOYSA-N 1 2 328.803 3.617 50 0 EHAALO Cc1ccc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccccn2)c(C)c1F ZINC000067713245 215190345 /nfs/dbraw/zinc/19/03/45/215190345.db2.gz ZRROFSAETFYHKN-FQEVSTJZSA-N 1 2 336.414 3.708 50 0 EHAALO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(SC)s2)cc1 ZINC000067715866 215193136 /nfs/dbraw/zinc/19/31/36/215193136.db2.gz ICARAUJZAABQPQ-CQSZACIVSA-N 1 2 335.498 3.996 50 0 EHAALO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nnc(SC)s2)cc1 ZINC000067715866 215193140 /nfs/dbraw/zinc/19/31/40/215193140.db2.gz ICARAUJZAABQPQ-CQSZACIVSA-N 1 2 335.498 3.996 50 0 EHAALO O=C(c1cc2sccc2[nH]1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000067920372 215249353 /nfs/dbraw/zinc/24/93/53/215249353.db2.gz SNQQCVJLHYVJKX-CYBMUJFWSA-N 1 2 328.441 3.511 50 0 EHAALO Cc1cc2[nH+]cn(C[C@@H](O)CSc3ccc(O)cc3)c2cc1C ZINC000069271438 215374617 /nfs/dbraw/zinc/37/46/17/215374617.db2.gz YYQFNVLZWBTMMU-OAHLLOKOSA-N 1 2 328.437 3.512 50 0 EHAALO C[C@@H](c1ccccc1F)[N@H+](Cc1nc(-c2cccnc2)no1)C1CC1 ZINC000069351552 215386485 /nfs/dbraw/zinc/38/64/85/215386485.db2.gz GCIJFIZUSNBIPW-ZDUSSCGKSA-N 1 2 338.386 3.996 50 0 EHAALO C[C@@H](c1ccccc1F)[N@@H+](Cc1nc(-c2cccnc2)no1)C1CC1 ZINC000069351552 215386488 /nfs/dbraw/zinc/38/64/88/215386488.db2.gz GCIJFIZUSNBIPW-ZDUSSCGKSA-N 1 2 338.386 3.996 50 0 EHAALO COc1cc(Oc2cc[nH+]c3cc(OC)c(OC)cc32)ccc1O ZINC000040449994 213305475 /nfs/dbraw/zinc/30/54/75/213305475.db2.gz FOEUYTSPWSGRJP-UHFFFAOYSA-N 1 2 327.336 3.759 50 0 EHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1OC(F)(F)F ZINC000040115036 213268749 /nfs/dbraw/zinc/26/87/49/213268749.db2.gz DBWFEUMZYNVXOP-UHFFFAOYSA-N 1 2 349.312 3.882 50 0 EHAALO C[C@H](NC(=O)N(C)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040024105 213251611 /nfs/dbraw/zinc/25/16/11/213251611.db2.gz MGAFNBPISQBQBA-INIZCTEOSA-N 1 2 334.423 3.775 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000036879953 213125117 /nfs/dbraw/zinc/12/51/17/213125117.db2.gz SIZZJUNVQSAUPJ-CQSZACIVSA-N 1 2 331.828 3.654 50 0 EHAALO O=S1(=O)C=C[C@@H](n2cc[nH+]c2-c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000072124041 216015994 /nfs/dbraw/zinc/01/59/94/216015994.db2.gz VPGJAAZDBNBKMV-QGZVFWFLSA-N 1 2 348.427 3.605 50 0 EHAALO Oc1ccc(CC[C@H]2CCCC[N@@H+]2Cc2noc(C3CC3)n2)cc1 ZINC000072154024 216044522 /nfs/dbraw/zinc/04/45/22/216044522.db2.gz XMEDGPSKJBRUCB-MRXNPFEDSA-N 1 2 327.428 3.640 50 0 EHAALO Oc1ccc(CC[C@H]2CCCC[N@H+]2Cc2noc(C3CC3)n2)cc1 ZINC000072154024 216044526 /nfs/dbraw/zinc/04/45/26/216044526.db2.gz XMEDGPSKJBRUCB-MRXNPFEDSA-N 1 2 327.428 3.640 50 0 EHAALO Cn1nc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c2c1cccc2Cl ZINC000072154881 216044615 /nfs/dbraw/zinc/04/46/15/216044615.db2.gz HVLLLQASJPSXPO-MRXNPFEDSA-N 1 2 326.831 3.959 50 0 EHAALO Cn1nc(C[N@H+]2CCC[C@@H]2c2ccccn2)c2c1cccc2Cl ZINC000072154881 216044618 /nfs/dbraw/zinc/04/46/18/216044618.db2.gz HVLLLQASJPSXPO-MRXNPFEDSA-N 1 2 326.831 3.959 50 0 EHAALO Cc1cc(-c2cc(NCc3ccncc3)nc3[nH]ccc32)c[nH+]c1N ZINC000072426618 216217816 /nfs/dbraw/zinc/21/78/16/216217816.db2.gz RQHPCMONIWIGOK-UHFFFAOYSA-N 1 2 330.395 3.523 50 0 EHAALO COc1ccc(-c2[nH+]c([C@@H]3CC(=O)N(C4CCCC4)C3)[nH]c2C)cc1 ZINC000023337429 212368940 /nfs/dbraw/zinc/36/89/40/212368940.db2.gz XLXHUASUHDZAQT-OAHLLOKOSA-N 1 2 339.439 3.652 50 0 EHAALO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)c2ccc(F)c(F)c2n1 ZINC000195580483 241029110 /nfs/dbraw/zinc/02/91/10/241029110.db2.gz HTYNPVOOOJXYGY-UHFFFAOYSA-N 1 2 328.366 3.859 50 0 EHAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000230144309 242240250 /nfs/dbraw/zinc/24/02/50/242240250.db2.gz WNQQEKHMNIPKKP-MSOLQXFVSA-N 1 2 345.874 3.978 50 0 EHAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000230144309 242240255 /nfs/dbraw/zinc/24/02/55/242240255.db2.gz WNQQEKHMNIPKKP-MSOLQXFVSA-N 1 2 345.874 3.978 50 0 EHAALO Cc1ccnn1CC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000244708250 243062845 /nfs/dbraw/zinc/06/28/45/243062845.db2.gz KQBOYAUEGYUTJZ-MRXNPFEDSA-N 1 2 340.254 3.572 50 0 EHAALO Cc1ccnn1CC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000244708250 243062851 /nfs/dbraw/zinc/06/28/51/243062851.db2.gz KQBOYAUEGYUTJZ-MRXNPFEDSA-N 1 2 340.254 3.572 50 0 EHAALO C[N@H+](Cc1nnc(-c2cccnc2)o1)Cc1ccccc1C(F)(F)F ZINC000244574995 243041923 /nfs/dbraw/zinc/04/19/23/243041923.db2.gz CUVYXUGFVRUJIC-UHFFFAOYSA-N 1 2 348.328 3.782 50 0 EHAALO C[N@@H+](Cc1nnc(-c2cccnc2)o1)Cc1ccccc1C(F)(F)F ZINC000244574995 243041929 /nfs/dbraw/zinc/04/19/29/243041929.db2.gz CUVYXUGFVRUJIC-UHFFFAOYSA-N 1 2 348.328 3.782 50 0 EHAALO Cc1cc([C@@H]2CCCCN2Cc2c[nH+]cn2Cc2ccccc2)no1 ZINC000244874760 243093881 /nfs/dbraw/zinc/09/38/81/243093881.db2.gz XGWMTZIKBZRRMF-FQEVSTJZSA-N 1 2 336.439 3.955 50 0 EHAALO O=C(c1ccc(Cl)s1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020472574 212135547 /nfs/dbraw/zinc/13/55/47/212135547.db2.gz RWGBEUHVDZKUJP-QPJJXVBHSA-N 1 2 346.883 3.873 50 0 EHAALO Cc1scc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000020343415 212121623 /nfs/dbraw/zinc/12/16/23/212121623.db2.gz FWZBYAMRGUQIKZ-UHFFFAOYSA-N 1 2 348.899 3.976 50 0 EHAALO O=C(c1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019827543 212072967 /nfs/dbraw/zinc/07/29/67/212072967.db2.gz UGKMYUJQGDQJGQ-UHFFFAOYSA-N 1 2 349.261 3.951 50 0 EHAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000012506059 211395333 /nfs/dbraw/zinc/39/53/33/211395333.db2.gz VYUXIFOMGSYHAD-UHFFFAOYSA-N 1 2 345.446 3.915 50 0 EHAALO Cc1cccn2c(CC(=O)N3CCCCC[C@H]3c3ccco3)c[nH+]c12 ZINC000091625347 218034481 /nfs/dbraw/zinc/03/44/81/218034481.db2.gz NXRNUZGNFVDTBD-KRWDZBQOSA-N 1 2 337.423 3.922 50 0 EHAALO Fc1ccc(Cn2ncnc2[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000091664386 218043578 /nfs/dbraw/zinc/04/35/78/218043578.db2.gz XQTDOWSVFZZCLV-IBGZPJMESA-N 1 2 336.414 3.803 50 0 EHAALO Fc1ccc(Cn2ncnc2[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000091664386 218043580 /nfs/dbraw/zinc/04/35/80/218043580.db2.gz XQTDOWSVFZZCLV-IBGZPJMESA-N 1 2 336.414 3.803 50 0 EHAALO COc1cc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)c(SC)cc1OC ZINC000092728479 218161747 /nfs/dbraw/zinc/16/17/47/218161747.db2.gz RXRUTPBWYTXPEO-CQSZACIVSA-N 1 2 347.484 3.876 50 0 EHAALO COc1cc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c(SC)cc1OC ZINC000092728479 218161750 /nfs/dbraw/zinc/16/17/50/218161750.db2.gz RXRUTPBWYTXPEO-CQSZACIVSA-N 1 2 347.484 3.876 50 0 EHAALO COc1cc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c(SC)cc1OC ZINC000092728479 218161753 /nfs/dbraw/zinc/16/17/53/218161753.db2.gz RXRUTPBWYTXPEO-CQSZACIVSA-N 1 2 347.484 3.876 50 0 EHAALO Cc1cccnc1C[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000093169514 218199811 /nfs/dbraw/zinc/19/98/11/218199811.db2.gz XVGBJHAJBMYFIO-OAHLLOKOSA-N 1 2 331.485 3.718 50 0 EHAALO Cc1cccnc1C[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000093169514 218199813 /nfs/dbraw/zinc/19/98/13/218199813.db2.gz XVGBJHAJBMYFIO-OAHLLOKOSA-N 1 2 331.485 3.718 50 0 EHAALO C[C@H](NC(=O)c1ccc2ccccc2n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009219994 211054819 /nfs/dbraw/zinc/05/48/19/211054819.db2.gz GSODXSXBEYGPJM-HNNXBMFYSA-N 1 2 342.402 3.912 50 0 EHAALO OC1(c2cccc(C(F)(F)F)c2)CCN(c2cc[nH+]cc2F)CC1 ZINC000095375204 218307579 /nfs/dbraw/zinc/30/75/79/218307579.db2.gz HNTGQKMYSIANAP-UHFFFAOYSA-N 1 2 340.320 3.728 50 0 EHAALO COc1ccc(C[C@H](C)N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000095398249 218331174 /nfs/dbraw/zinc/33/11/74/218331174.db2.gz GKRRPLCKYNTXIM-INIZCTEOSA-N 1 2 349.434 3.584 50 0 EHAALO CC(C)n1cc[nH+]c1CNc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000095411958 218348804 /nfs/dbraw/zinc/34/88/04/218348804.db2.gz LHTPUNNYUXBDRC-UHFFFAOYSA-N 1 2 347.484 3.792 50 0 EHAALO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1csc(N(C)C)n1 ZINC000095423560 218366040 /nfs/dbraw/zinc/36/60/40/218366040.db2.gz UXATYZFVZMEDTP-JTQLQIEISA-N 1 2 325.865 3.722 50 0 EHAALO COc1ccc(F)cc1C[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000008152895 210902909 /nfs/dbraw/zinc/90/29/09/210902909.db2.gz HEEAQPWXLIXTDZ-UHFFFAOYSA-N 1 2 330.403 3.522 50 0 EHAALO COc1ccc(F)cc1C[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000008152895 210902914 /nfs/dbraw/zinc/90/29/14/210902914.db2.gz HEEAQPWXLIXTDZ-UHFFFAOYSA-N 1 2 330.403 3.522 50 0 EHAALO FC(F)n1ccnc1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000096424352 218793180 /nfs/dbraw/zinc/79/31/80/218793180.db2.gz TVQPDAVGVKIWIM-UHFFFAOYSA-N 1 2 331.370 3.534 50 0 EHAALO C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)N1CCC(C)CC1 ZINC000097112292 218961037 /nfs/dbraw/zinc/96/10/37/218961037.db2.gz QJXGVMGULVHUCI-HZPDHXFCSA-N 1 2 341.455 3.639 50 0 EHAALO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccc([C@@H]2CCOC2)c1 ZINC000341661270 257931753 /nfs/dbraw/zinc/93/17/53/257931753.db2.gz MOTRWMPDKQGVHZ-QGZVFWFLSA-N 1 2 333.391 3.629 50 0 EHAALO COCc1noc([C@H](C)[N@H+]2CC=C(c3cccc(Cl)c3)CC2)n1 ZINC000280280855 258014244 /nfs/dbraw/zinc/01/42/44/258014244.db2.gz SHYCWACJTWELST-LBPRGKRZSA-N 1 2 333.819 3.720 50 0 EHAALO COCc1noc([C@H](C)[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)n1 ZINC000280280855 258014246 /nfs/dbraw/zinc/01/42/46/258014246.db2.gz SHYCWACJTWELST-LBPRGKRZSA-N 1 2 333.819 3.720 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)C1(c2ccccc2)CCCCC1)C1CC1 ZINC000299761669 258078481 /nfs/dbraw/zinc/07/84/81/258078481.db2.gz YMQVPZILAMJORD-SFHVURJKSA-N 1 2 337.467 3.890 50 0 EHAALO Cn1ncc(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)c1C(F)F ZINC000071899774 563498012 /nfs/dbraw/zinc/49/80/12/563498012.db2.gz IOOIGJCDVZIJDX-UHFFFAOYSA-N 1 2 344.321 3.797 50 0 EHAALO CCCc1nc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cs1 ZINC000071908253 563568865 /nfs/dbraw/zinc/56/88/65/563568865.db2.gz LISIBBMIRPWQJO-UHFFFAOYSA-N 1 2 339.505 3.585 50 0 EHAALO COc1ccc2c(Cl)c(C(=O)NCCCn3cc[nH+]c3)sc2c1 ZINC000006673770 563577969 /nfs/dbraw/zinc/57/79/69/563577969.db2.gz HJZXFDOXRVTRRC-UHFFFAOYSA-N 1 2 349.843 3.580 50 0 EHAALO COc1ccc2[nH]c(SCc3[nH+]cc(C)c(OC)c3C)nc2c1 ZINC000013603907 563703658 /nfs/dbraw/zinc/70/36/58/563703658.db2.gz XURCIPRUUASYLR-UHFFFAOYSA-N 1 2 329.425 3.884 50 0 in-man EHAALO COc1ccc2nc(SCc3[nH+]cc(C)c(OC)c3C)[nH]c2c1 ZINC000013603907 563703661 /nfs/dbraw/zinc/70/36/61/563703661.db2.gz XURCIPRUUASYLR-UHFFFAOYSA-N 1 2 329.425 3.884 50 0 in-man EHAALO Cc1ccccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000014164845 563746361 /nfs/dbraw/zinc/74/63/61/563746361.db2.gz FEYARXPQHLQORP-CYBMUJFWSA-N 1 2 329.469 3.936 50 0 EHAALO Cc1ccccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000014164845 563746365 /nfs/dbraw/zinc/74/63/65/563746365.db2.gz FEYARXPQHLQORP-CYBMUJFWSA-N 1 2 329.469 3.936 50 0 EHAALO Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)s1 ZINC000014167539 563746407 /nfs/dbraw/zinc/74/64/07/563746407.db2.gz QSSGHOODUIEGNA-NSHDSACASA-N 1 2 335.498 3.997 50 0 EHAALO Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)s1 ZINC000014167539 563746409 /nfs/dbraw/zinc/74/64/09/563746409.db2.gz QSSGHOODUIEGNA-NSHDSACASA-N 1 2 335.498 3.997 50 0 EHAALO C[C@H](c1nnc(COc2ccccc2F)o1)[N@H+](C)Cc1ccccc1 ZINC000521393815 563813583 /nfs/dbraw/zinc/81/35/83/563813583.db2.gz PNDMGPOYAXVOCT-CQSZACIVSA-N 1 2 341.386 3.981 50 0 EHAALO C[C@H](c1nnc(COc2ccccc2F)o1)[N@@H+](C)Cc1ccccc1 ZINC000521393815 563813585 /nfs/dbraw/zinc/81/35/85/563813585.db2.gz PNDMGPOYAXVOCT-CQSZACIVSA-N 1 2 341.386 3.981 50 0 EHAALO Cc1cc2[nH+]cn(CC(=O)NCc3ccccc3Cl)c2cc1C ZINC000022742279 563864009 /nfs/dbraw/zinc/86/40/09/563864009.db2.gz ZORQDPMCVZKEEQ-UHFFFAOYSA-N 1 2 327.815 3.623 50 0 EHAALO O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050712 563868780 /nfs/dbraw/zinc/86/87/80/563868780.db2.gz OBAJTYZKZZVHEG-UHFFFAOYSA-N 1 2 347.403 3.643 50 0 EHAALO CC(C)N(C(=O)CSc1[nH+]cc2ccccn21)c1ccccc1 ZINC000024963291 563878131 /nfs/dbraw/zinc/87/81/31/563878131.db2.gz DHSPNXKPPCIGEK-UHFFFAOYSA-N 1 2 325.437 3.868 50 0 EHAALO C[C@@H](NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000025416509 563884628 /nfs/dbraw/zinc/88/46/28/563884628.db2.gz KSXVGKMQYIHBDE-VGSWGCGISA-N 1 2 345.446 3.638 50 0 EHAALO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000029655621 563907886 /nfs/dbraw/zinc/90/78/86/563907886.db2.gz BIKHQVROWBVBSZ-JKSUJKDBSA-N 1 2 334.423 3.994 50 0 EHAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1F ZINC000030656256 563910218 /nfs/dbraw/zinc/91/02/18/563910218.db2.gz OVSTZRWCDKOBLB-UHFFFAOYSA-N 1 2 343.789 3.654 50 0 EHAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(Cl)c1 ZINC000043210852 563925249 /nfs/dbraw/zinc/92/52/49/563925249.db2.gz FQXNPXSLSXLOIB-UHFFFAOYSA-N 1 2 333.790 3.542 50 0 EHAALO COc1ccc([C@H]2CCN(c3cc(C)[nH+]c(-c4ccncc4)n3)C2)cc1 ZINC000060338975 563931580 /nfs/dbraw/zinc/93/15/80/563931580.db2.gz CQLRPIMYJDEQKY-SFHVURJKSA-N 1 2 346.434 3.850 50 0 EHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000058157326 563937939 /nfs/dbraw/zinc/93/79/39/563937939.db2.gz GHWJIUPQBJOLCV-HNNXBMFYSA-N 1 2 345.443 3.721 50 0 EHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000058157326 563937941 /nfs/dbraw/zinc/93/79/41/563937941.db2.gz GHWJIUPQBJOLCV-HNNXBMFYSA-N 1 2 345.443 3.721 50 0 EHAALO CC[N@@H+](Cc1ccccc1)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000058267583 563941282 /nfs/dbraw/zinc/94/12/82/563941282.db2.gz NLDXZXAFJCUCNO-UHFFFAOYSA-N 1 2 337.398 3.529 50 0 EHAALO CC[N@H+](Cc1ccccc1)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000058267583 563941283 /nfs/dbraw/zinc/94/12/83/563941283.db2.gz NLDXZXAFJCUCNO-UHFFFAOYSA-N 1 2 337.398 3.529 50 0 EHAALO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCOc2ccc(C)cc2)o1 ZINC000058430137 563946214 /nfs/dbraw/zinc/94/62/14/563946214.db2.gz SYMWCBYKPQCVBK-HXUWFJFHSA-N 1 2 349.434 3.865 50 0 EHAALO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCOc2ccc(C)cc2)o1 ZINC000058430137 563946215 /nfs/dbraw/zinc/94/62/15/563946215.db2.gz SYMWCBYKPQCVBK-HXUWFJFHSA-N 1 2 349.434 3.865 50 0 EHAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCOc2ccc(C)cc2)o1 ZINC000058430139 563946232 /nfs/dbraw/zinc/94/62/32/563946232.db2.gz SYMWCBYKPQCVBK-FQEVSTJZSA-N 1 2 349.434 3.865 50 0 EHAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCOc2ccc(C)cc2)o1 ZINC000058430139 563946233 /nfs/dbraw/zinc/94/62/33/563946233.db2.gz SYMWCBYKPQCVBK-FQEVSTJZSA-N 1 2 349.434 3.865 50 0 EHAALO Cc1ncsc1C[N@@H+]1CCCC[C@H]1c1nncn1-c1ccccc1 ZINC000097941594 563950983 /nfs/dbraw/zinc/95/09/83/563950983.db2.gz NYJLBLYSDOXLBG-INIZCTEOSA-N 1 2 339.468 3.759 50 0 EHAALO Cc1ncsc1C[N@H+]1CCCC[C@H]1c1nncn1-c1ccccc1 ZINC000097941594 563950985 /nfs/dbraw/zinc/95/09/85/563950985.db2.gz NYJLBLYSDOXLBG-INIZCTEOSA-N 1 2 339.468 3.759 50 0 EHAALO CO[C@@H](C)c1cccc(NC(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000096434564 563953113 /nfs/dbraw/zinc/95/31/13/563953113.db2.gz JXXUZGYOPQIDQJ-AWEZNQCLSA-N 1 2 330.432 3.568 50 0 EHAALO CCOCCn1c[nH+]c(-c2ccccc2)c1CCn1nc(C)cc1C ZINC000065425615 563960660 /nfs/dbraw/zinc/96/06/60/563960660.db2.gz VSYGTXCXPNXFJM-UHFFFAOYSA-N 1 2 338.455 3.643 50 0 EHAALO Fc1cccnc1NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000067742451 563962681 /nfs/dbraw/zinc/96/26/81/563962681.db2.gz GIXNTOXMBYXWDW-UHFFFAOYSA-N 1 2 334.398 3.791 50 0 EHAALO Cc1ccc(C2=NN(C[NH+]3CCCCC3)C(=O)[C@@H]3CCCC[C@H]23)cc1 ZINC000071782587 563965789 /nfs/dbraw/zinc/96/57/89/563965789.db2.gz AZBSOQZPYUMIOP-RBUKOAKNSA-N 1 2 339.483 3.791 50 0 EHAALO Cc1cc(C)c(NC(=O)N(C)CC[C@H](O)c2ccccc2)c(C)[nH+]1 ZINC000095519128 563977368 /nfs/dbraw/zinc/97/73/68/563977368.db2.gz WXSMZTFSTRQRGZ-KRWDZBQOSA-N 1 2 327.428 3.594 50 0 EHAALO CCCc1ccc(N2CC[NH+](Cc3nc4ccccc4n3C)CC2)cc1 ZINC000096318742 563980743 /nfs/dbraw/zinc/98/07/43/563980743.db2.gz OVFXLVHPQKSVIG-UHFFFAOYSA-N 1 2 348.494 3.848 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCC(=O)Nc1cnc2ccccc2c1 ZINC000005209089 564000649 /nfs/dbraw/zinc/00/06/49/564000649.db2.gz BOMVYVNEDYWKPV-UHFFFAOYSA-N 1 2 330.391 3.922 50 0 EHAALO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC000076474078 564000723 /nfs/dbraw/zinc/00/07/23/564000723.db2.gz AYBBUNMIPJBUOQ-QGZVFWFLSA-N 1 2 339.464 3.743 50 0 EHAALO C[C@@H](CCn1cccn1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000272561485 564007396 /nfs/dbraw/zinc/00/73/96/564007396.db2.gz SEYIWKVRRPSROQ-INIZCTEOSA-N 1 2 333.439 3.689 50 0 EHAALO CCn1c2ccccc2nc1C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000017194272 564011421 /nfs/dbraw/zinc/01/14/21/564011421.db2.gz AEDDZQXVTPHFCC-UHFFFAOYSA-N 1 2 334.467 3.687 50 0 EHAALO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000017367369 564011779 /nfs/dbraw/zinc/01/17/79/564011779.db2.gz AFYHRJYMTOXWND-GFCCVEGCSA-N 1 2 343.377 3.754 50 0 EHAALO Cc1cncc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000189970164 564016869 /nfs/dbraw/zinc/01/68/69/564016869.db2.gz KWJDBGFQSGTBSH-IAGOWNOFSA-N 1 2 336.357 3.717 50 0 EHAALO Cc1cncc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000189970164 564016870 /nfs/dbraw/zinc/01/68/70/564016870.db2.gz KWJDBGFQSGTBSH-IAGOWNOFSA-N 1 2 336.357 3.717 50 0 EHAALO CCCC12CN3CC(CCC)(C[NH+](C1)C3(C)Cc1ccccc1)C2=O ZINC000024541447 564023226 /nfs/dbraw/zinc/02/32/26/564023226.db2.gz NMZPAOGZEKCWBS-UHFFFAOYSA-N 1 2 340.511 3.732 50 0 EHAALO CC[C@@H]([NH3+])CNc1nc(-c2cc(Cl)ccc2O)nc2ccccc21 ZINC000165803084 564025717 /nfs/dbraw/zinc/02/57/17/564025717.db2.gz KTDRFFCAMFPUFZ-GFCCVEGCSA-N 1 2 342.830 3.805 50 0 EHAALO c1sc(Nc2ccccc2)nc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000107591421 564027041 /nfs/dbraw/zinc/02/70/41/564027041.db2.gz ARCCHWHPUYVERD-CVEARBPZSA-N 1 2 347.509 3.593 50 0 EHAALO c1sc(Nc2ccccc2)nc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000107591421 564027042 /nfs/dbraw/zinc/02/70/42/564027042.db2.gz ARCCHWHPUYVERD-CVEARBPZSA-N 1 2 347.509 3.593 50 0 EHAALO Cc1cc([C@H]2CCC[N@H+]2Cc2nc3cc(Cl)ccc3n2C)on1 ZINC000044977660 564028037 /nfs/dbraw/zinc/02/80/37/564028037.db2.gz AESHBFIJGKGREY-OAHLLOKOSA-N 1 2 330.819 3.860 50 0 EHAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2nc3cc(Cl)ccc3n2C)on1 ZINC000044977660 564028038 /nfs/dbraw/zinc/02/80/38/564028038.db2.gz AESHBFIJGKGREY-OAHLLOKOSA-N 1 2 330.819 3.860 50 0 EHAALO CCc1ccccc1NC(=O)NCc1cc[nH+]c(N(CC)CC)c1 ZINC000033280260 564036637 /nfs/dbraw/zinc/03/66/37/564036637.db2.gz YWYUSWVYUGRHDX-UHFFFAOYSA-N 1 2 326.444 3.812 50 0 EHAALO Cc1ccc(-c2ccc(CCC(=O)N(C)CCn3cc[nH+]c3)o2)cc1 ZINC000223579340 564040384 /nfs/dbraw/zinc/04/03/84/564040384.db2.gz STOROIBELIWQIU-UHFFFAOYSA-N 1 2 337.423 3.543 50 0 EHAALO Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@@H]3c3ccc(Cl)cc3)nc12 ZINC000225438234 564046730 /nfs/dbraw/zinc/04/67/30/564046730.db2.gz RPXJKQRGROYXTK-QGZVFWFLSA-N 1 2 339.826 3.603 50 0 EHAALO Cc1cccn2c(=O)cc(C[N@H+]3CC[C@@H]3c3ccc(Cl)cc3)nc12 ZINC000225438234 564046731 /nfs/dbraw/zinc/04/67/31/564046731.db2.gz RPXJKQRGROYXTK-QGZVFWFLSA-N 1 2 339.826 3.603 50 0 EHAALO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccc(Br)s1 ZINC000018939789 564052714 /nfs/dbraw/zinc/05/27/14/564052714.db2.gz XPFZOZLFLSKMRO-UHFFFAOYSA-N 1 2 339.258 3.581 50 0 EHAALO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc(Br)s1 ZINC000018939789 564052715 /nfs/dbraw/zinc/05/27/15/564052715.db2.gz XPFZOZLFLSKMRO-UHFFFAOYSA-N 1 2 339.258 3.581 50 0 EHAALO C[C@H](CCNC(=O)c1ccc(N2CCCC2)c(Cl)c1)n1cc[nH+]c1 ZINC000252508648 564053554 /nfs/dbraw/zinc/05/35/54/564053554.db2.gz XQGJOYOMUZMTAO-CQSZACIVSA-N 1 2 346.862 3.518 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)CCC1CCCC1)c1ccc(F)cc1 ZINC000012530074 564058213 /nfs/dbraw/zinc/05/82/13/564058213.db2.gz DILHHGLUSKQHNJ-GOSISDBHSA-N 1 2 329.419 3.735 50 0 EHAALO Cc1cc(C)cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1 ZINC000012577528 564059993 /nfs/dbraw/zinc/05/99/93/564059993.db2.gz IZEMTEXLPALXQJ-GOSISDBHSA-N 1 2 337.398 3.695 50 0 EHAALO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCCc2cc(Cl)ccc21 ZINC000075122130 564080378 /nfs/dbraw/zinc/08/03/78/564080378.db2.gz FQUYXELVHMKMFO-UHFFFAOYSA-N 1 2 338.798 3.514 50 0 EHAALO Cc1nc(C)c(C(=O)N2CC[C@H](n3c(C)[nH+]c4ccccc43)C2)s1 ZINC000575616169 564083467 /nfs/dbraw/zinc/08/34/67/564083467.db2.gz HSXRKQGEWRDJOT-AWEZNQCLSA-N 1 2 340.452 3.505 50 0 EHAALO CCS[C@@H](C)c1noc(C[NH+]2CCC(c3ccc(O)cc3)CC2)n1 ZINC000089274822 564087975 /nfs/dbraw/zinc/08/79/75/564087975.db2.gz GYDPVGSGHWRRDW-ZDUSSCGKSA-N 1 2 347.484 3.969 50 0 EHAALO Cc1cc(NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc[nH+]1 ZINC000192418739 564090142 /nfs/dbraw/zinc/09/01/42/564090142.db2.gz ZXGYVNKABACSDX-UHFFFAOYSA-N 1 2 345.830 3.559 50 0 EHAALO CC(C)C(=O)N(Cc1[nH+]ccn1Cc1cccc(Cl)c1)C(C)C ZINC000006689069 564095870 /nfs/dbraw/zinc/09/58/70/564095870.db2.gz DGLOSUXNYDJRJI-UHFFFAOYSA-N 1 2 333.863 3.978 50 0 EHAALO CC[N@H+](CCCNC(=O)c1noc2c1CCCCC2)c1ccccc1 ZINC000006901804 564101118 /nfs/dbraw/zinc/10/11/18/564101118.db2.gz JMSZLPOIQHBKIZ-UHFFFAOYSA-N 1 2 341.455 3.590 50 0 EHAALO CC[N@@H+](CCCNC(=O)c1noc2c1CCCCC2)c1ccccc1 ZINC000006901804 564101119 /nfs/dbraw/zinc/10/11/19/564101119.db2.gz JMSZLPOIQHBKIZ-UHFFFAOYSA-N 1 2 341.455 3.590 50 0 EHAALO Cc1ccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1F ZINC000065172891 564102313 /nfs/dbraw/zinc/10/23/13/564102313.db2.gz KPTZBFDTYWQWRM-UHFFFAOYSA-N 1 2 341.430 3.840 50 0 EHAALO Cc1oncc1C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000238868976 564105531 /nfs/dbraw/zinc/10/55/31/564105531.db2.gz MKYLCAVQJJPYEO-UHFFFAOYSA-N 1 2 326.227 3.612 50 0 EHAALO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000065588030 564107826 /nfs/dbraw/zinc/10/78/26/564107826.db2.gz KOWCZHGTORXSCV-KBPBESRZSA-N 1 2 344.434 3.526 50 0 EHAALO CCc1ccccc1NC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000013325001 564111507 /nfs/dbraw/zinc/11/15/07/564111507.db2.gz UHMRXXJPRPYUOJ-UHFFFAOYSA-N 1 2 339.439 3.725 50 0 EHAALO CC(=O)c1ccc(NC(=O)C[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000007651280 564121509 /nfs/dbraw/zinc/12/15/09/564121509.db2.gz MKMDJRMZOXVFNJ-UHFFFAOYSA-N 1 2 334.419 3.617 50 0 EHAALO CC(=O)c1ccc(NC(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000007651280 564121510 /nfs/dbraw/zinc/12/15/10/564121510.db2.gz MKMDJRMZOXVFNJ-UHFFFAOYSA-N 1 2 334.419 3.617 50 0 EHAALO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nc(=O)ccn1C(C)C ZINC000194537362 564121624 /nfs/dbraw/zinc/12/16/24/564121624.db2.gz QZBZZVPVVOYZSM-UHFFFAOYSA-N 1 2 340.452 3.611 50 0 EHAALO O=C(Nc1cccc(F)c1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000253427473 564131185 /nfs/dbraw/zinc/13/11/85/564131185.db2.gz FSKMYFQMRZTKMQ-SHTZXODSSA-N 1 2 328.391 3.766 50 0 EHAALO Fc1ccc([C@@H]([NH2+][C@@H]2CCOc3ccccc32)c2cnccn2)cc1 ZINC000253431966 564131781 /nfs/dbraw/zinc/13/17/81/564131781.db2.gz YZAVOAXGJWWUBA-YLJYHZDGSA-N 1 2 335.382 3.819 50 0 EHAALO CCCc1ccc(C(=O)N2CC([N@@H+]3CCc4sccc4C3)C2)cc1 ZINC000390827218 564138537 /nfs/dbraw/zinc/13/85/37/564138537.db2.gz FRSHKIVVVFDTOE-UHFFFAOYSA-N 1 2 340.492 3.583 50 0 EHAALO CCCc1ccc(C(=O)N2CC([N@H+]3CCc4sccc4C3)C2)cc1 ZINC000390827218 564138538 /nfs/dbraw/zinc/13/85/38/564138538.db2.gz FRSHKIVVVFDTOE-UHFFFAOYSA-N 1 2 340.492 3.583 50 0 EHAALO O=C(N[C@@H](c1ccccc1)C1CCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000096404205 564147264 /nfs/dbraw/zinc/14/72/64/564147264.db2.gz MZICHPBSUDFHSF-ROUUACIJSA-N 1 2 338.455 3.840 50 0 EHAALO COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+][C@@H](C)c1ccncc1 ZINC000097038400 564149268 /nfs/dbraw/zinc/14/92/68/564149268.db2.gz ZSLGFWVNWONMOQ-HNNXBMFYSA-N 1 2 341.455 3.879 50 0 EHAALO Cc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000003221554 564156202 /nfs/dbraw/zinc/15/62/02/564156202.db2.gz SPCMBHSHPURQNF-UHFFFAOYSA-N 1 2 330.453 3.786 50 0 EHAALO Cc1cccc(NC(=S)N2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000058096256 564157539 /nfs/dbraw/zinc/15/75/39/564157539.db2.gz UGXHNXGYWWTPDG-UHFFFAOYSA-N 1 2 343.471 3.996 50 0 EHAALO Cc1cccc(NC(=S)N2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000058096256 564157540 /nfs/dbraw/zinc/15/75/40/564157540.db2.gz UGXHNXGYWWTPDG-UHFFFAOYSA-N 1 2 343.471 3.996 50 0 EHAALO Fc1ccc(-c2nc(C[NH+]3CCC(c4ccn[nH]4)CC3)co2)cc1 ZINC000058267385 564158303 /nfs/dbraw/zinc/15/83/03/564158303.db2.gz FHPVKYUOFSQOEM-UHFFFAOYSA-N 1 2 326.375 3.583 50 0 EHAALO Cc1[nH]c2ccc(CC(=O)NC[C@@]3(c4ccccc4)CC3(C)C)cc2[nH+]1 ZINC000670458578 564160750 /nfs/dbraw/zinc/16/07/50/564160750.db2.gz AWBVAIMWXNHSJR-JOCHJYFZSA-N 1 2 347.462 3.898 50 0 EHAALO Cc1[nH]c2cc(CC(=O)NC[C@@]3(c4ccccc4)CC3(C)C)ccc2[nH+]1 ZINC000670458578 564160751 /nfs/dbraw/zinc/16/07/51/564160751.db2.gz AWBVAIMWXNHSJR-JOCHJYFZSA-N 1 2 347.462 3.898 50 0 EHAALO Cc1[nH+]c2ccccn2c1C1N=NC(=S)N1c1ccc(Cl)cc1 ZINC000039931252 564167692 /nfs/dbraw/zinc/16/76/92/564167692.db2.gz REDHVGOKZBYMJB-UHFFFAOYSA-N 1 2 341.827 3.833 50 0 EHAALO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc2ccccc2c1 ZINC000069436130 564169479 /nfs/dbraw/zinc/16/94/79/564169479.db2.gz RUCRNKAJVQSEBY-UHFFFAOYSA-N 1 2 347.340 3.871 50 0 EHAALO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cc(F)cc3cccnc31)C2 ZINC000069493362 564169959 /nfs/dbraw/zinc/16/99/59/564169959.db2.gz FQCZQXOIEQNGIZ-UHFFFAOYSA-N 1 2 338.430 3.789 50 0 EHAALO Cc1c2ccccc2oc1C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000069519477 564170094 /nfs/dbraw/zinc/17/00/94/564170094.db2.gz SVEQKFKMBWDESR-UHFFFAOYSA-N 1 2 349.434 3.877 50 0 EHAALO O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000069530350 564170210 /nfs/dbraw/zinc/17/02/10/564170210.db2.gz CHOCWLKOGOELTJ-UHFFFAOYSA-N 1 2 331.419 3.625 50 0 EHAALO C[C@@H]1CCc2sc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2C1 ZINC000069661897 564171320 /nfs/dbraw/zinc/17/13/20/564171320.db2.gz QAOYJRWAZPQTAM-HIFRSBDPSA-N 1 2 329.469 3.547 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H](C)c1ccccc1 ZINC000042846866 564175440 /nfs/dbraw/zinc/17/54/40/564175440.db2.gz LTQQPYPGZAKKFP-HNNXBMFYSA-N 1 2 336.439 3.795 50 0 EHAALO COc1ccccc1C(C)(C)[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC000071803068 564175509 /nfs/dbraw/zinc/17/55/09/564175509.db2.gz OEJAWZYWEUURQH-UHFFFAOYSA-N 1 2 337.423 3.694 50 0 EHAALO Cc1c[nH+]c(-c2ccncc2)n1CCNC(=O)Nc1ccc(C)cc1C ZINC000257196169 1033221227 /nfs/dbraw/zinc/22/12/27/1033221227.db2.gz XSPBQLGAZCXFKO-UHFFFAOYSA-N 1 2 349.438 3.692 50 0 EHAALO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1c1ccncc1 ZINC000084383614 1031481416 /nfs/dbraw/zinc/48/14/16/1031481416.db2.gz SNEPNWNOCZRGJE-MUPIXQSSSA-N 1 2 344.418 3.644 50 0 EHAALO Cc1ccc2c(CCNC(=O)c3cccc(-n4cc[nH+]c4)c3)c[nH]c2c1 ZINC000344470936 1032009103 /nfs/dbraw/zinc/00/91/03/1032009103.db2.gz AYZLSDBXBZBQPF-UHFFFAOYSA-N 1 2 344.418 3.635 50 0 EHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000581808152 1035617729 /nfs/dbraw/zinc/61/77/29/1035617729.db2.gz QNAGNSPORCNCPM-GOSISDBHSA-N 1 2 338.455 3.607 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000581805945 1132368449 /nfs/dbraw/zinc/36/84/49/1132368449.db2.gz IOMQYHGGSVIHHX-KRWDZBQOSA-N 1 2 335.407 3.929 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1C1CCN(C(=O)c2ccncc2)CC1 ZINC000581808915 1132371449 /nfs/dbraw/zinc/37/14/49/1132371449.db2.gz ZLZUHEKBEZEUQY-UHFFFAOYSA-N 1 2 346.434 3.731 50 0 EHAALO C[C@H](C[N@@H+]1CCc2ccccc2C1)NCc1cccc(O)c1Cl ZINC000952982977 1137485345 /nfs/dbraw/zinc/48/53/45/1137485345.db2.gz NHZMNGWEHWAMMG-CQSZACIVSA-N 1 2 330.859 3.582 50 0 EHAALO C[C@H](C[N@H+]1CCc2ccccc2C1)NCc1cccc(O)c1Cl ZINC000952982977 1137485347 /nfs/dbraw/zinc/48/53/47/1137485347.db2.gz NHZMNGWEHWAMMG-CQSZACIVSA-N 1 2 330.859 3.582 50 0 EHAALO C/C(=C\C(=O)N[C@@H](C)Cn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000222168541 1138246113 /nfs/dbraw/zinc/24/61/13/1138246113.db2.gz TXDYKDUCEKGTEU-SIAZSYRFSA-N 1 2 327.472 3.551 50 0 EHAALO Cc1noc(C2CC[NH+](Cc3csc(Br)c3)CC2)n1 ZINC000053639251 214191027 /nfs/dbraw/zinc/19/10/27/214191027.db2.gz PVEZEWGTQKHMFT-UHFFFAOYSA-N 1 2 342.262 3.582 50 0 EHAALO Cc1ccn2cc(CNC(=O)CC34CC5CC(CC(C5)C3)C4)[nH+]c2c1 ZINC000055183029 214283995 /nfs/dbraw/zinc/28/39/95/214283995.db2.gz ZGBVDJBVYCMXOY-UHFFFAOYSA-N 1 2 337.467 3.865 50 0 EHAALO CCn1cc[nH+]c1-c1cccc(NC(=O)c2ccccc2COC)c1 ZINC000157200415 529549956 /nfs/dbraw/zinc/54/99/56/529549956.db2.gz YRZMSYKEXRRXCT-UHFFFAOYSA-N 1 2 335.407 3.969 50 0 EHAALO CCc1c[nH+]c(C)nc1NCc1cccnc1Oc1ccc(C)nc1 ZINC000067689190 215185815 /nfs/dbraw/zinc/18/58/15/215185815.db2.gz FCCDLROGHPYTHP-UHFFFAOYSA-N 1 2 335.411 3.850 50 0 EHAALO Cc1cc2n(n1)CCC[N@H+](Cc1nc(-c3sccc3C)oc1C)C2 ZINC000067817706 215219069 /nfs/dbraw/zinc/21/90/69/215219069.db2.gz GOFKRMPVNIKDCU-UHFFFAOYSA-N 1 2 342.468 3.931 50 0 EHAALO Cc1cc2n(n1)CCC[N@@H+](Cc1nc(-c3sccc3C)oc1C)C2 ZINC000067817706 215219073 /nfs/dbraw/zinc/21/90/73/215219073.db2.gz GOFKRMPVNIKDCU-UHFFFAOYSA-N 1 2 342.468 3.931 50 0 EHAALO CCc1[nH]c(C)c(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCO2)[nH+]1 ZINC000067841710 215227141 /nfs/dbraw/zinc/22/71/41/215227141.db2.gz FMSRECQABHNPQH-INIZCTEOSA-N 1 2 336.439 3.990 50 0 EHAALO COc1ccc(C[N@H+](C)[C@H](C)c2nc(C(C)(C)C)no2)cc1OC ZINC000040490448 213320306 /nfs/dbraw/zinc/32/03/06/213320306.db2.gz WWQCEKRCPVYKQH-GFCCVEGCSA-N 1 2 333.432 3.577 50 0 EHAALO COc1ccc(C[N@@H+](C)[C@H](C)c2nc(C(C)(C)C)no2)cc1OC ZINC000040490448 213320307 /nfs/dbraw/zinc/32/03/07/213320307.db2.gz WWQCEKRCPVYKQH-GFCCVEGCSA-N 1 2 333.432 3.577 50 0 EHAALO O=C(Nc1nc(C[NH+]2CCCC2)cs1)c1ccc2ncsc2c1 ZINC000040460768 213306406 /nfs/dbraw/zinc/30/64/06/213306406.db2.gz MOKKIFRADJGXBI-UHFFFAOYSA-N 1 2 344.465 3.601 50 0 EHAALO Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3c3ccccn3)o2)n1C ZINC000072120941 216013293 /nfs/dbraw/zinc/01/32/93/216013293.db2.gz WFWHTVBAIZWXIP-INIZCTEOSA-N 1 2 337.427 3.506 50 0 EHAALO Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3c3ccccn3)o2)n1C ZINC000072120941 216013294 /nfs/dbraw/zinc/01/32/94/216013294.db2.gz WFWHTVBAIZWXIP-INIZCTEOSA-N 1 2 337.427 3.506 50 0 EHAALO CCCn1ncc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1C ZINC000072170494 216061806 /nfs/dbraw/zinc/06/18/06/216061806.db2.gz LZTBLRQWCHIDOD-UHFFFAOYSA-N 1 2 346.906 3.573 50 0 EHAALO CCCn1ncc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000072170494 216061809 /nfs/dbraw/zinc/06/18/09/216061809.db2.gz LZTBLRQWCHIDOD-UHFFFAOYSA-N 1 2 346.906 3.573 50 0 EHAALO COc1c([C@H]2CCC[N@@H+]2Cc2csc(C(C)C)n2)c(C)nn1C ZINC000072253762 216084273 /nfs/dbraw/zinc/08/42/73/216084273.db2.gz KFVWWUHHDFCURF-CQSZACIVSA-N 1 2 334.489 3.654 50 0 EHAALO COc1c([C@H]2CCC[N@H+]2Cc2csc(C(C)C)n2)c(C)nn1C ZINC000072253762 216084275 /nfs/dbraw/zinc/08/42/75/216084275.db2.gz KFVWWUHHDFCURF-CQSZACIVSA-N 1 2 334.489 3.654 50 0 EHAALO C[C@@H]1c2cccn2CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000072281465 216110214 /nfs/dbraw/zinc/11/02/14/216110214.db2.gz ICAAZXWQJFMBLZ-OAHLLOKOSA-N 1 2 333.391 3.892 50 0 EHAALO COc1ccc(Cc2[nH+]ccc3cc(OC)c(OC)cc32)cc1OC ZINC000000056555 209393181 /nfs/dbraw/zinc/39/31/81/209393181.db2.gz XQYZDYMELSJDRZ-UHFFFAOYSA-N 1 2 339.391 3.860 50 0 biogenic,world EHAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(C)c1)[NH+]1CCCCC1)S2 ZINC000022626016 212313072 /nfs/dbraw/zinc/31/30/72/212313072.db2.gz ODBDIKFRGZJOAH-HNNXBMFYSA-N 1 2 342.468 3.689 50 0 EHAALO COc1cc(Oc2ccccc2)ccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000193628874 240242481 /nfs/dbraw/zinc/24/24/81/240242481.db2.gz OZFTZMHVVZICQK-UHFFFAOYSA-N 1 2 337.379 3.782 50 0 EHAALO COc1cc(Oc2ccccc2)ccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000193628874 240242488 /nfs/dbraw/zinc/24/24/88/240242488.db2.gz OZFTZMHVVZICQK-UHFFFAOYSA-N 1 2 337.379 3.782 50 0 EHAALO CCC12CN3CC(CC)(C[NH+](C1)C3c1ccc(C(C)C)cc1)C2O ZINC000021785730 212250771 /nfs/dbraw/zinc/25/07/71/212250771.db2.gz GZNYYUATNKYLAL-UHFFFAOYSA-N 1 2 328.500 3.607 50 0 EHAALO Cc1cc2[nH+]cn(C[C@@H](O)COCc3ccccc3Cl)c2cc1C ZINC000021559647 212231162 /nfs/dbraw/zinc/23/11/62/212231162.db2.gz XCBIVSFEBFZHAS-MRXNPFEDSA-N 1 2 344.842 3.884 50 0 EHAALO Cc1ccccc1NC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020418839 212126727 /nfs/dbraw/zinc/12/67/27/212126727.db2.gz VXZWZSIHLUJSJB-UHFFFAOYSA-N 1 2 343.858 3.998 50 0 EHAALO O=C(CCC1CCCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019691117 212055826 /nfs/dbraw/zinc/05/58/26/212055826.db2.gz ZDWCTLDWFIRQQW-IZZDOVSWSA-N 1 2 326.484 3.814 50 0 EHAALO COc1cccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000019370602 212023425 /nfs/dbraw/zinc/02/34/25/212023425.db2.gz VZUGKQQMFKSHKB-UHFFFAOYSA-N 1 2 330.859 3.666 50 0 EHAALO c1cc(C23CC4CC(CC(C4)C2)C3)ccc1OCC[NH+]1CCOCC1 ZINC000019228017 212006946 /nfs/dbraw/zinc/00/69/46/212006946.db2.gz WBFJDRGYARMPRS-UHFFFAOYSA-N 1 2 341.495 3.865 50 0 EHAALO C[C@H](C(=O)NCc1cc(F)ccc1F)n1cc[nH+]c1-c1ccccc1 ZINC000151179982 223790204 /nfs/dbraw/zinc/79/02/04/223790204.db2.gz KKAOBCKZBFFVST-CYBMUJFWSA-N 1 2 341.361 3.706 50 0 EHAALO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc1F ZINC000012507483 211395590 /nfs/dbraw/zinc/39/55/90/211395590.db2.gz ROYNSSQTPFWEPN-QGZVFWFLSA-N 1 2 341.361 3.526 50 0 EHAALO CCc1ccc(C[N@H+](C)Cc2nc(-c3cccc(Cl)c3)no2)nc1 ZINC000012448305 211387516 /nfs/dbraw/zinc/38/75/16/211387516.db2.gz JDUNCCGLDDENLF-UHFFFAOYSA-N 1 2 342.830 3.979 50 0 EHAALO CCc1ccc(C[N@@H+](C)Cc2nc(-c3cccc(Cl)c3)no2)nc1 ZINC000012448305 211387520 /nfs/dbraw/zinc/38/75/20/211387520.db2.gz JDUNCCGLDDENLF-UHFFFAOYSA-N 1 2 342.830 3.979 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000091690879 218047668 /nfs/dbraw/zinc/04/76/68/218047668.db2.gz IGFRLYGEIAOWOF-LBPRGKRZSA-N 1 2 335.810 3.715 50 0 EHAALO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1(c2ccc(F)cc2)CC1 ZINC000091908275 218087379 /nfs/dbraw/zinc/08/73/79/218087379.db2.gz BFMPLDDHVHULLD-LJQANCHMSA-N 1 2 349.409 3.612 50 0 EHAALO CN(Cc1ccccc1)c1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000011025560 211200938 /nfs/dbraw/zinc/20/09/38/211200938.db2.gz BFMNDNAQWZGQMH-UHFFFAOYSA-N 1 2 333.370 3.591 50 0 EHAALO CN(C(=O)c1ccc(Cn2cc[nH+]c2)o1)[C@@H]1CCCc2ccccc21 ZINC000091951915 218093939 /nfs/dbraw/zinc/09/39/39/218093939.db2.gz KGQSNTQUKBJYJR-GOSISDBHSA-N 1 2 335.407 3.674 50 0 EHAALO C[C@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccccc1Cl ZINC000010093501 211146720 /nfs/dbraw/zinc/14/67/20/211146720.db2.gz VVFLMKCYBKTRMB-LBPRGKRZSA-N 1 2 334.872 3.637 50 0 EHAALO C[C@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccccc1Cl ZINC000010093501 211146722 /nfs/dbraw/zinc/14/67/22/211146722.db2.gz VVFLMKCYBKTRMB-LBPRGKRZSA-N 1 2 334.872 3.637 50 0 EHAALO CN(C)c1nc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)ns1 ZINC000095412778 218350713 /nfs/dbraw/zinc/35/07/13/218350713.db2.gz WVWPWHYAMOTFRI-QGZVFWFLSA-N 1 2 338.480 3.678 50 0 EHAALO c1cnn(Cc2cccc(NCc3[nH+]ccn3Cc3ccccc3)c2)c1 ZINC000095428554 218371144 /nfs/dbraw/zinc/37/11/44/218371144.db2.gz GBXZKIWIFGBFHV-UHFFFAOYSA-N 1 2 343.434 3.788 50 0 EHAALO Cc1cccc2[nH+]c(C[S@](=O)[C@H]3CCc4c3cccc4F)cn21 ZINC000095440967 218385436 /nfs/dbraw/zinc/38/54/36/218385436.db2.gz HIGJEWZLDGVQPP-GAJHUEQPSA-N 1 2 328.412 3.718 50 0 EHAALO COc1ccc(C[N@H+](Cc2ccncc2)C2CC2)c(Cl)c1OC ZINC000097468573 219027260 /nfs/dbraw/zinc/02/72/60/219027260.db2.gz RIOQLMKJPGFPRO-UHFFFAOYSA-N 1 2 332.831 3.917 50 0 EHAALO COc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)c(Cl)c1OC ZINC000097468573 219027263 /nfs/dbraw/zinc/02/72/63/219027263.db2.gz RIOQLMKJPGFPRO-UHFFFAOYSA-N 1 2 332.831 3.917 50 0 EHAALO Cc1ccc2c(cc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)n2C)c1 ZINC000097553410 219035263 /nfs/dbraw/zinc/03/52/63/219035263.db2.gz PWQQJYMXGHDYPC-SFHVURJKSA-N 1 2 338.455 3.528 50 0 EHAALO CCn1c(C)csc1=[NH+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000334157449 258004475 /nfs/dbraw/zinc/00/44/75/258004475.db2.gz KTLNWZQHGPTYBE-GASCZTMLSA-N 1 2 331.485 3.724 50 0 EHAALO CCCn1cc[nH+]c1CNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000299769204 258083203 /nfs/dbraw/zinc/08/32/03/258083203.db2.gz LVNUBNFVTBRSJW-UHFFFAOYSA-N 1 2 326.322 3.634 50 0 EHAALO COc1ccccc1[C@H]1C[N@H+](Cc2cc[nH]n2)Cc2ccccc2O1 ZINC000299787811 258094293 /nfs/dbraw/zinc/09/42/93/258094293.db2.gz QSTZHMHWPSSVFV-HXUWFJFHSA-N 1 2 335.407 3.554 50 0 EHAALO COc1ccccc1[C@H]1C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2O1 ZINC000299787811 258094294 /nfs/dbraw/zinc/09/42/94/258094294.db2.gz QSTZHMHWPSSVFV-HXUWFJFHSA-N 1 2 335.407 3.554 50 0 EHAALO Cc1ccsc1C[N@H+](C)Cn1nc(-c2ccccc2)[nH]c1=S ZINC000012880708 258055645 /nfs/dbraw/zinc/05/56/45/258055645.db2.gz GCPROQDWPCFQLM-UHFFFAOYSA-N 1 2 330.482 3.693 50 0 EHAALO Cc1ccsc1C[N@@H+](C)Cn1nc(-c2ccccc2)[nH]c1=S ZINC000012880708 258055646 /nfs/dbraw/zinc/05/56/46/258055646.db2.gz GCPROQDWPCFQLM-UHFFFAOYSA-N 1 2 330.482 3.693 50 0 EHAALO O=C(CCc1ccsc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000040122070 258059774 /nfs/dbraw/zinc/05/97/74/258059774.db2.gz OOFWIONYISJFEY-UHFFFAOYSA-N 1 2 343.496 3.773 50 0 EHAALO Cc1ccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)s1 ZINC000040122071 258059786 /nfs/dbraw/zinc/05/97/86/258059786.db2.gz QFLQILUQZKJNLT-UHFFFAOYSA-N 1 2 329.469 3.762 50 0 EHAALO CN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000092734580 258066490 /nfs/dbraw/zinc/06/64/90/258066490.db2.gz FIQBYJQQCHFQNB-UHFFFAOYSA-N 1 2 336.395 3.876 50 0 EHAALO Cc1nc2sccn2c1C[N@@H+]1Cc2cc(C)ccc2O[C@H](C)C1 ZINC000299766063 258080598 /nfs/dbraw/zinc/08/05/98/258080598.db2.gz BIIJLRIZUKSXSN-CYBMUJFWSA-N 1 2 327.453 3.796 50 0 EHAALO Cc1nc2sccn2c1C[N@H+]1Cc2cc(C)ccc2O[C@H](C)C1 ZINC000299766063 258080599 /nfs/dbraw/zinc/08/05/99/258080599.db2.gz BIIJLRIZUKSXSN-CYBMUJFWSA-N 1 2 327.453 3.796 50 0 EHAALO Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCN(c4ccccc4)CC3)o2)c1 ZINC000057323194 132199634 /nfs/dbraw/zinc/19/96/34/132199634.db2.gz ALOKSDKMCDEUEF-QGZVFWFLSA-N 1 2 348.450 3.928 50 0 EHAALO O=S(=O)(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1ccccc1 ZINC000176582244 518202794 /nfs/dbraw/zinc/20/27/94/518202794.db2.gz JZOKLZGVRONABT-UHFFFAOYSA-N 1 2 327.409 3.631 50 0 EHAALO Ic1ccc(NCc2cn3ccccc3[nH+]2)cc1 ZINC000000077745 563217546 /nfs/dbraw/zinc/21/75/46/563217546.db2.gz ZVJLWOFGHJXALY-UHFFFAOYSA-N 1 2 349.175 3.551 50 0 EHAALO CC(C)(C)c1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000000153388 563247048 /nfs/dbraw/zinc/24/70/48/563247048.db2.gz NROMKWATUIKZDX-UHFFFAOYSA-N 1 2 338.455 3.733 50 0 EHAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COC[C@H]1CC=CCC1 ZINC000000243010 563265331 /nfs/dbraw/zinc/26/53/31/563265331.db2.gz UFMCELMQZANVGK-DLBZAZTESA-N 1 2 328.456 3.723 50 0 EHAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COC[C@@H]1CC=CCC1 ZINC000000242999 563265431 /nfs/dbraw/zinc/26/54/31/563265431.db2.gz UFMCELMQZANVGK-IAGOWNOFSA-N 1 2 328.456 3.723 50 0 EHAALO COc1ccc(Nc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1 ZINC000001295913 563382799 /nfs/dbraw/zinc/38/27/99/563382799.db2.gz MMRNSEFJHIVRBF-UHFFFAOYSA-N 1 2 331.379 3.627 50 0 EHAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000006350146 563565673 /nfs/dbraw/zinc/56/56/73/563565673.db2.gz GJCVQXMMBVRJAZ-UHFFFAOYSA-N 1 2 340.395 3.612 50 0 EHAALO C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1[nH+]cnc2c1cnn2C ZINC000012971772 563679233 /nfs/dbraw/zinc/67/92/33/563679233.db2.gz XJJKQWDPBZYQDX-VIFPVBQESA-N 1 2 336.226 3.868 50 0 EHAALO Cc1c(C)n(-c2cccc(C)n2)c2nc[nH+]c(NCc3ccco3)c12 ZINC000013732236 563719420 /nfs/dbraw/zinc/71/94/20/563719420.db2.gz UJYXAFLOLCFOBX-UHFFFAOYSA-N 1 2 333.395 3.946 50 0 EHAALO Cc1ccc(-c2cc(NC(=O)C[N@@H+](C)Cc3cccs3)on2)cc1 ZINC000014165230 563746383 /nfs/dbraw/zinc/74/63/83/563746383.db2.gz LQULEUGQKNOHIH-UHFFFAOYSA-N 1 2 341.436 3.782 50 0 EHAALO Cc1ccc(-c2cc(NC(=O)C[N@H+](C)Cc3cccs3)on2)cc1 ZINC000014165230 563746388 /nfs/dbraw/zinc/74/63/88/563746388.db2.gz LQULEUGQKNOHIH-UHFFFAOYSA-N 1 2 341.436 3.782 50 0 EHAALO COc1ccc(-c2nc(C[NH+]3CCSCC3)c(C)o2)c(OC)c1C ZINC000015074751 563776273 /nfs/dbraw/zinc/77/62/73/563776273.db2.gz WFGLFBCCNXKOCM-UHFFFAOYSA-N 1 2 348.468 3.524 50 0 EHAALO COc1ccc(C[N@H+](Cc2nnc(-c3ccco3)o2)C2CC2)cc1 ZINC000015309514 563781822 /nfs/dbraw/zinc/78/18/22/563781822.db2.gz NYQCYNUTMXUHTF-UHFFFAOYSA-N 1 2 325.368 3.503 50 0 EHAALO COc1ccc(C[N@@H+](Cc2nnc(-c3ccco3)o2)C2CC2)cc1 ZINC000015309514 563781824 /nfs/dbraw/zinc/78/18/24/563781824.db2.gz NYQCYNUTMXUHTF-UHFFFAOYSA-N 1 2 325.368 3.503 50 0 EHAALO COc1cccc(-c2noc(C[N@H+](C)[C@H](C)c3cccs3)n2)c1 ZINC000016434900 563811388 /nfs/dbraw/zinc/81/13/88/563811388.db2.gz KWXVRDIURPWAME-GFCCVEGCSA-N 1 2 329.425 4.000 50 0 EHAALO COc1cccc(-c2noc(C[N@@H+](C)[C@H](C)c3cccs3)n2)c1 ZINC000016434900 563811390 /nfs/dbraw/zinc/81/13/90/563811390.db2.gz KWXVRDIURPWAME-GFCCVEGCSA-N 1 2 329.425 4.000 50 0 EHAALO CC1=NN(c2ccc(Cl)cc2)C(=O)C1=C[NH2+]Nc1ccccc1C ZINC000000206831 563829504 /nfs/dbraw/zinc/82/95/04/563829504.db2.gz VJJGKDOPZAREAK-LFIBNONCSA-N 1 2 340.814 3.872 50 0 EHAALO CCC[C@H](C)c1n[nH]c2c1C[N@H+](Cc1c3ccccc3nn1C)CC2 ZINC000019111508 563853658 /nfs/dbraw/zinc/85/36/58/563853658.db2.gz SIOOWPMUABJFAU-AWEZNQCLSA-N 1 2 337.471 3.758 50 0 EHAALO CCC[C@H](C)c1n[nH]c2c1C[N@@H+](Cc1c3ccccc3nn1C)CC2 ZINC000019111508 563853661 /nfs/dbraw/zinc/85/36/61/563853661.db2.gz SIOOWPMUABJFAU-AWEZNQCLSA-N 1 2 337.471 3.758 50 0 EHAALO CCC[C@H](C)c1[nH]nc2c1C[N@H+](Cc1c3ccccc3nn1C)CC2 ZINC000019111508 563853664 /nfs/dbraw/zinc/85/36/64/563853664.db2.gz SIOOWPMUABJFAU-AWEZNQCLSA-N 1 2 337.471 3.758 50 0 EHAALO CCC[C@H](C)c1[nH]nc2c1C[N@@H+](Cc1c3ccccc3nn1C)CC2 ZINC000019111508 563853668 /nfs/dbraw/zinc/85/36/68/563853668.db2.gz SIOOWPMUABJFAU-AWEZNQCLSA-N 1 2 337.471 3.758 50 0 EHAALO O=C(NCc1cn2ccccc2[nH+]1)N1CCCCC[C@@H]1c1ccncc1 ZINC000043477441 563881596 /nfs/dbraw/zinc/88/15/96/563881596.db2.gz NZOTXXKJGFHNSU-GOSISDBHSA-N 1 2 349.438 3.556 50 0 EHAALO CCOc1ccc2c(c1)sc(=S)n2C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000025158432 563881941 /nfs/dbraw/zinc/88/19/41/563881941.db2.gz DJRPKESWGJCLQS-VXGBXAGGSA-N 1 2 338.498 3.898 50 0 EHAALO Cc1ccc(C[N@@H+](Cn2ncc3ccccc3c2=O)C(C)C)s1 ZINC000058175308 563939123 /nfs/dbraw/zinc/93/91/23/563939123.db2.gz XUSGSQGSNXKKRB-UHFFFAOYSA-N 1 2 327.453 3.635 50 0 EHAALO Cc1ccc(C[N@H+](Cn2ncc3ccccc3c2=O)C(C)C)s1 ZINC000058175308 563939124 /nfs/dbraw/zinc/93/91/24/563939124.db2.gz XUSGSQGSNXKKRB-UHFFFAOYSA-N 1 2 327.453 3.635 50 0 EHAALO c1sc(C23CC4CC(CC(C4)C2)C3)nc1C[N@@H+]1CCCOCC1 ZINC000065418732 563960586 /nfs/dbraw/zinc/96/05/86/563960586.db2.gz HWTYXSHTJFNDGW-UHFFFAOYSA-N 1 2 332.513 3.833 50 0 EHAALO c1sc(C23CC4CC(CC(C4)C2)C3)nc1C[N@H+]1CCCOCC1 ZINC000065418732 563960587 /nfs/dbraw/zinc/96/05/87/563960587.db2.gz HWTYXSHTJFNDGW-UHFFFAOYSA-N 1 2 332.513 3.833 50 0 EHAALO CC(C)c1nnsc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071404187 563964296 /nfs/dbraw/zinc/96/42/96/563964296.db2.gz GCWCEMFGYMGSCS-CQSZACIVSA-N 1 2 337.876 3.888 50 0 EHAALO CC(C)c1nnsc1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071404187 563964297 /nfs/dbraw/zinc/96/42/97/563964297.db2.gz GCWCEMFGYMGSCS-CQSZACIVSA-N 1 2 337.876 3.888 50 0 EHAALO CO[C@H](Cn1cc[nH+]c1-c1ccc(NC(C)=O)cc1)c1cccs1 ZINC000071576019 563964536 /nfs/dbraw/zinc/96/45/36/563964536.db2.gz CHFAGBVEAWDVOE-MRXNPFEDSA-N 1 2 341.436 3.958 50 0 EHAALO COc1ccccc1-c1ccc(NCc2cn3cc(C)ccc3[nH+]2)nn1 ZINC000071746792 563964948 /nfs/dbraw/zinc/96/49/48/563964948.db2.gz WZXRMBZGHUWDOE-UHFFFAOYSA-N 1 2 345.406 3.720 50 0 EHAALO CCc1onc(C)c1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000097142587 563968208 /nfs/dbraw/zinc/96/82/08/563968208.db2.gz VZZPGNCSZVKXNM-ZDUSSCGKSA-N 1 2 348.472 3.518 50 0 EHAALO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3Cc3cnn(C)c3C3CC3)nc2c1 ZINC000077406642 563969418 /nfs/dbraw/zinc/96/94/18/563969418.db2.gz WCFVIOTZZZWCAW-SFHVURJKSA-N 1 2 335.455 3.819 50 0 EHAALO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3Cc3cnn(C)c3C3CC3)nc2c1 ZINC000077406642 563969419 /nfs/dbraw/zinc/96/94/19/563969419.db2.gz WCFVIOTZZZWCAW-SFHVURJKSA-N 1 2 335.455 3.819 50 0 EHAALO Cc1ccc2nc([C@@H]3CCC[N@H+]3Cc3cnn(C)c3C3CC3)[nH]c2c1 ZINC000077406642 563969420 /nfs/dbraw/zinc/96/94/20/563969420.db2.gz WCFVIOTZZZWCAW-SFHVURJKSA-N 1 2 335.455 3.819 50 0 EHAALO Cc1ccc2nc([C@@H]3CCC[N@@H+]3Cc3cnn(C)c3C3CC3)[nH]c2c1 ZINC000077406642 563969421 /nfs/dbraw/zinc/96/94/21/563969421.db2.gz WCFVIOTZZZWCAW-SFHVURJKSA-N 1 2 335.455 3.819 50 0 EHAALO C[C@H](CC(=O)N1CCC(Oc2ccc(Cl)cc2)CC1)n1cc[nH+]c1 ZINC000077407012 563969496 /nfs/dbraw/zinc/96/94/96/563969496.db2.gz DYZVMFGDZSMHML-CQSZACIVSA-N 1 2 347.846 3.558 50 0 EHAALO CCc1ccc(-c2[nH+]ccn2[C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000077407480 563969500 /nfs/dbraw/zinc/96/95/00/563969500.db2.gz SEGNXNCGOOKKCO-SFHVURJKSA-N 1 2 333.439 3.744 50 0 EHAALO O=C(CCc1cccs1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082092256 563972084 /nfs/dbraw/zinc/97/20/84/563972084.db2.gz MKFJWMQIOCGLAW-INIZCTEOSA-N 1 2 343.496 3.693 50 0 EHAALO C[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000131366762 563974327 /nfs/dbraw/zinc/97/43/27/563974327.db2.gz IGGQLUIBYPMCMN-MRXNPFEDSA-N 1 2 336.439 3.829 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000091320180 563975257 /nfs/dbraw/zinc/97/52/57/563975257.db2.gz RAHQUTXOLRERNE-LBPRGKRZSA-N 1 2 334.370 3.593 50 0 EHAALO CCSc1ccc(C(=O)N2CCC(c3[nH+]ccn3C)CC2)s1 ZINC000095505539 563977122 /nfs/dbraw/zinc/97/71/22/563977122.db2.gz DIWUVEBKXOOSLE-UHFFFAOYSA-N 1 2 335.498 3.613 50 0 EHAALO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCOc2cccc(C)c2)o1 ZINC000065521887 563998311 /nfs/dbraw/zinc/99/83/11/563998311.db2.gz WIXZEAUKJGYQCE-HXUWFJFHSA-N 1 2 349.434 3.865 50 0 EHAALO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCOc2cccc(C)c2)o1 ZINC000065521887 563998312 /nfs/dbraw/zinc/99/83/12/563998312.db2.gz WIXZEAUKJGYQCE-HXUWFJFHSA-N 1 2 349.434 3.865 50 0 EHAALO O=C(NCCC1=CSC2=[NH+]CCN12)c1ccc(-c2ccccc2)cc1 ZINC000005452207 564004220 /nfs/dbraw/zinc/00/42/20/564004220.db2.gz PCSAWBCRROBLHJ-UHFFFAOYSA-N 1 2 349.459 3.733 50 0 EHAALO Cc1cccc(N2CC[NH+](Cc3ccc(Br)o3)CC2)c1C ZINC000000294133 564012341 /nfs/dbraw/zinc/01/23/41/564012341.db2.gz CHYIFIPQVQXJOU-UHFFFAOYSA-N 1 2 349.272 3.981 50 0 EHAALO O=C(C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccco2)no1)c1cccs1 ZINC000177397760 564013891 /nfs/dbraw/zinc/01/38/91/564013891.db2.gz NRWUZFFLAHRHFF-LBPRGKRZSA-N 1 2 343.408 3.629 50 0 EHAALO O=C(C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccco2)no1)c1cccs1 ZINC000177397760 564013892 /nfs/dbraw/zinc/01/38/92/564013892.db2.gz NRWUZFFLAHRHFF-LBPRGKRZSA-N 1 2 343.408 3.629 50 0 EHAALO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@H]1c1ccsc1 ZINC000106825771 564026646 /nfs/dbraw/zinc/02/66/46/564026646.db2.gz DSEKTAKOZHZRTG-WBVHZDCISA-N 1 2 341.480 3.723 50 0 EHAALO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc([C@H](C)OCC)no2)C1(C)C ZINC000106923514 564026760 /nfs/dbraw/zinc/02/67/60/564026760.db2.gz FIGJLMWLZLGTCW-RRFJBIMHSA-N 1 2 339.480 3.583 50 0 EHAALO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc([C@H](C)OCC)no2)C1(C)C ZINC000106923514 564026761 /nfs/dbraw/zinc/02/67/61/564026761.db2.gz FIGJLMWLZLGTCW-RRFJBIMHSA-N 1 2 339.480 3.583 50 0 EHAALO CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cs1 ZINC000048275556 564030614 /nfs/dbraw/zinc/03/06/14/564030614.db2.gz DBQPHRRRSKCVJY-KRWDZBQOSA-N 1 2 347.459 3.992 50 0 EHAALO CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cs1 ZINC000048275556 564030615 /nfs/dbraw/zinc/03/06/15/564030615.db2.gz DBQPHRRRSKCVJY-KRWDZBQOSA-N 1 2 347.459 3.992 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)CCn1ccc2ccccc21 ZINC000008135437 564034792 /nfs/dbraw/zinc/03/47/92/564034792.db2.gz HUKHMQYYTLTIAP-UHFFFAOYSA-N 1 2 346.434 3.506 50 0 EHAALO COc1cc([C@@H](C)[NH2+]Cc2cn[nH]c2C)ccc1SC(F)F ZINC000225545353 564047698 /nfs/dbraw/zinc/04/76/98/564047698.db2.gz AYHNOOSRNJMENE-SECBINFHSA-N 1 2 327.400 3.892 50 0 EHAALO Cc1nc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cs1 ZINC000182847681 564056382 /nfs/dbraw/zinc/05/63/82/564056382.db2.gz QMWVFNCLACMEHT-GFCCVEGCSA-N 1 2 330.379 3.504 50 0 EHAALO Cc1nc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cs1 ZINC000182847681 564056383 /nfs/dbraw/zinc/05/63/83/564056383.db2.gz QMWVFNCLACMEHT-GFCCVEGCSA-N 1 2 330.379 3.504 50 0 EHAALO Cn1cc[nH+]c1[C@@H](Nc1ncnc2sccc21)c1ccccc1F ZINC000012539467 564058555 /nfs/dbraw/zinc/05/85/55/564058555.db2.gz LZAUMTRICGTLTH-AWEZNQCLSA-N 1 2 339.399 3.765 50 0 EHAALO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000083854153 564063795 /nfs/dbraw/zinc/06/37/95/564063795.db2.gz SRJQMOBINXXTKV-CHWSQXEVSA-N 1 2 349.356 3.909 50 0 EHAALO O=C(Nc1ccc2c(c1)C(=O)CCC2)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000084489888 564068228 /nfs/dbraw/zinc/06/82/28/564068228.db2.gz SYTBDZXHFGEFKF-INIZCTEOSA-N 1 2 338.411 3.688 50 0 EHAALO O=C(Nc1cccc(OCCn2cc[nH+]c2)c1)c1coc2ccccc12 ZINC000084593111 564068895 /nfs/dbraw/zinc/06/88/95/564068895.db2.gz BQFZBVHXEVCJPD-UHFFFAOYSA-N 1 2 347.374 3.961 50 0 EHAALO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000096179499 564076267 /nfs/dbraw/zinc/07/62/67/564076267.db2.gz QUBNTZOVUQHMTF-HNNXBMFYSA-N 1 2 341.455 3.676 50 0 EHAALO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc2ccccc2c1 ZINC000096179499 564076268 /nfs/dbraw/zinc/07/62/68/564076268.db2.gz QUBNTZOVUQHMTF-HNNXBMFYSA-N 1 2 341.455 3.676 50 0 EHAALO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000121927234 564084834 /nfs/dbraw/zinc/08/48/34/564084834.db2.gz KXUCCXFQWJDVFX-INIZCTEOSA-N 1 2 339.395 3.530 50 0 EHAALO CCOC(=O)c1c(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)oc2ccccc21 ZINC000064557901 564092182 /nfs/dbraw/zinc/09/21/82/564092182.db2.gz IASAEEYNPIUAJF-RDJZCZTQSA-N 1 2 343.423 3.753 50 0 EHAALO CCOC(=O)c1c(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)oc2ccccc21 ZINC000064557901 564092183 /nfs/dbraw/zinc/09/21/83/564092183.db2.gz IASAEEYNPIUAJF-RDJZCZTQSA-N 1 2 343.423 3.753 50 0 EHAALO Cc1ccc2[nH]c(CCCNC(=O)c3cccn3C3CC3)[nH+]c2c1C ZINC000426548528 564094102 /nfs/dbraw/zinc/09/41/02/564094102.db2.gz NTLPQJQAYWXHOA-UHFFFAOYSA-N 1 2 336.439 3.679 50 0 EHAALO Cc1ccc(C)c(Cn2cc[nH+]c2CN(C(=O)NC(C)C)C(C)C)c1 ZINC000006690189 564095810 /nfs/dbraw/zinc/09/58/10/564095810.db2.gz YASFJCYEEXUDHK-UHFFFAOYSA-N 1 2 342.487 3.877 50 0 EHAALO Cc1cccc(C2(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CC2)c1 ZINC000071822611 564111330 /nfs/dbraw/zinc/11/13/30/564111330.db2.gz KBZCTMLTSSLJJA-UHFFFAOYSA-N 1 2 345.446 3.588 50 0 EHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)Nc1cccc(Cl)c1 ZINC000013324811 564111477 /nfs/dbraw/zinc/11/14/77/564111477.db2.gz VRRKGPPUGWYGLV-UHFFFAOYSA-N 1 2 345.830 3.816 50 0 EHAALO CCOC(=O)N(C)c1ccc(NCc2c[nH+]c3cc(C)ccn23)cc1 ZINC000089984721 564116006 /nfs/dbraw/zinc/11/60/06/564116006.db2.gz JBJOJDYAWXCBOA-UHFFFAOYSA-N 1 2 338.411 3.848 50 0 EHAALO O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000252482484 564119204 /nfs/dbraw/zinc/11/92/04/564119204.db2.gz DGRYJRSEINHSOG-IEBWSBKVSA-N 1 2 349.409 3.875 50 0 EHAALO O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000252482484 564119205 /nfs/dbraw/zinc/11/92/05/564119205.db2.gz DGRYJRSEINHSOG-IEBWSBKVSA-N 1 2 349.409 3.875 50 0 EHAALO Nc1cccc(CSc2nnc(CCCc3ccccc3)o2)[nH+]1 ZINC000194540332 564121611 /nfs/dbraw/zinc/12/16/11/564121611.db2.gz NJMQNKNDKNMHEA-UHFFFAOYSA-N 1 2 326.425 3.514 50 0 EHAALO O=C(NCCc1ccc(Cl)s1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045818224 564128521 /nfs/dbraw/zinc/12/85/21/564128521.db2.gz YGLUYNAYPHZQII-UHFFFAOYSA-N 1 2 345.855 3.619 50 0 EHAALO Cc1cccc(N2CC[N@@H+](CC(=O)c3ccc4cc[nH]c4c3)C[C@H]2C)c1 ZINC000013366797 564136290 /nfs/dbraw/zinc/13/62/90/564136290.db2.gz SJAYJEVCVRCIDZ-QGZVFWFLSA-N 1 2 347.462 3.870 50 0 EHAALO Cc1cccc(N2CC[N@H+](CC(=O)c3ccc4cc[nH]c4c3)C[C@H]2C)c1 ZINC000013366797 564136291 /nfs/dbraw/zinc/13/62/91/564136291.db2.gz SJAYJEVCVRCIDZ-QGZVFWFLSA-N 1 2 347.462 3.870 50 0 EHAALO O=C(CCCOc1ccccc1Cl)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000095458556 564140728 /nfs/dbraw/zinc/14/07/28/564140728.db2.gz NFZPEGDNSXBCRQ-AWEZNQCLSA-N 1 2 333.819 3.586 50 0 EHAALO COc1ccccc1NC(=O)N(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000096025050 564144916 /nfs/dbraw/zinc/14/49/16/564144916.db2.gz KSOHAGZPRPXFCO-UHFFFAOYSA-N 1 2 336.395 3.539 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)c1C ZINC000057852003 564156182 /nfs/dbraw/zinc/15/61/82/564156182.db2.gz ZWMVGOYCRMELKW-UHFFFAOYSA-N 1 2 332.831 3.802 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)Cc2ccc(Cl)cc2)c1C ZINC000057852003 564156183 /nfs/dbraw/zinc/15/61/83/564156183.db2.gz ZWMVGOYCRMELKW-UHFFFAOYSA-N 1 2 332.831 3.802 50 0 EHAALO C[NH+](C)[C@H](Cc1cc(Cl)cc2c1OCOC2)C(=O)c1ccccc1 ZINC000003282733 564156930 /nfs/dbraw/zinc/15/69/30/564156930.db2.gz OZVLLKXMOMFXHX-QGZVFWFLSA-N 1 2 345.826 3.562 50 0 EHAALO CC(C)CNC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000058073167 564157475 /nfs/dbraw/zinc/15/74/75/564157475.db2.gz QXSBJUSZIVLHDJ-QGZVFWFLSA-N 1 2 334.510 3.529 50 0 EHAALO CC(C)CNC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000058073167 564157476 /nfs/dbraw/zinc/15/74/76/564157476.db2.gz QXSBJUSZIVLHDJ-QGZVFWFLSA-N 1 2 334.510 3.529 50 0 EHAALO Cc1ccc(-c2cccc(C[N@@H+]3CCN(C4CCCC4)C(=O)C3)c2)o1 ZINC000670450067 564159387 /nfs/dbraw/zinc/15/93/87/564159387.db2.gz SEQOCCTXZYLCON-UHFFFAOYSA-N 1 2 338.451 3.842 50 0 EHAALO Cc1ccc(-c2cccc(C[N@H+]3CCN(C4CCCC4)C(=O)C3)c2)o1 ZINC000670450067 564159388 /nfs/dbraw/zinc/15/93/88/564159388.db2.gz SEQOCCTXZYLCON-UHFFFAOYSA-N 1 2 338.451 3.842 50 0 EHAALO Cn1c(C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)nnc1C1CC1 ZINC000069844488 564172485 /nfs/dbraw/zinc/17/24/85/564172485.db2.gz ZPQGDKMDRMNUEJ-GOSISDBHSA-N 1 2 335.455 3.901 50 0 EHAALO Cn1c(C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)nnc1C1CC1 ZINC000069844488 564172486 /nfs/dbraw/zinc/17/24/86/564172486.db2.gz ZPQGDKMDRMNUEJ-GOSISDBHSA-N 1 2 335.455 3.901 50 0 EHAALO COc1cc(Cl)c(C)cc1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000041284692 564173671 /nfs/dbraw/zinc/17/36/71/564173671.db2.gz IGGTWRKHTHOBBP-UHFFFAOYSA-N 1 2 343.814 3.954 50 0 EHAALO COc1ccc([C@H](NC(=O)C[N@H+](C)Cc2ccsc2)C(C)C)cc1 ZINC000010131063 564175083 /nfs/dbraw/zinc/17/50/83/564175083.db2.gz DZNCADMTLRAPMU-LJQANCHMSA-N 1 2 346.496 3.702 50 0 EHAALO COc1ccc([C@H](NC(=O)C[N@@H+](C)Cc2ccsc2)C(C)C)cc1 ZINC000010131063 564175084 /nfs/dbraw/zinc/17/50/84/564175084.db2.gz DZNCADMTLRAPMU-LJQANCHMSA-N 1 2 346.496 3.702 50 0 EHAALO CCOC(=O)c1c(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)oc2ccccc21 ZINC000071846823 564175933 /nfs/dbraw/zinc/17/59/33/564175933.db2.gz IASAEEYNPIUAJF-DOTOQJQBSA-N 1 2 343.423 3.753 50 0 EHAALO CCOC(=O)c1c(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)oc2ccccc21 ZINC000071846823 564175934 /nfs/dbraw/zinc/17/59/34/564175934.db2.gz IASAEEYNPIUAJF-DOTOQJQBSA-N 1 2 343.423 3.753 50 0 EHAALO O=C(Nc1ccccc1F)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096551516 1034443200 /nfs/dbraw/zinc/44/32/00/1034443200.db2.gz VNLLFUMHKHKSGH-TWGQIWQCSA-N 1 2 339.414 3.689 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCCN(C(=O)c2cccn2C)C1 ZINC000257196412 1038560353 /nfs/dbraw/zinc/56/03/53/1038560353.db2.gz YEPMQZRSYGRRCE-SFHVURJKSA-N 1 2 348.450 3.674 50 0 EHAALO Clc1cccc(Cl)c1Cc1nnc(C2(Cn3cc[nH+]c3)CC2)[nH]1 ZINC000825591394 1131279342 /nfs/dbraw/zinc/27/93/42/1131279342.db2.gz BJDZODWYQLPYPA-UHFFFAOYSA-N 1 2 348.237 3.631 50 0 EHAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2cnc(SC(F)(F)F)n2C)on1 ZINC000585117261 1137008600 /nfs/dbraw/zinc/00/86/00/1137008600.db2.gz WSPLAZHREYOTNZ-NSHDSACASA-N 1 2 346.378 3.666 50 0 EHAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cnc(SC(F)(F)F)n2C)on1 ZINC000585117261 1137008602 /nfs/dbraw/zinc/00/86/02/1137008602.db2.gz WSPLAZHREYOTNZ-NSHDSACASA-N 1 2 346.378 3.666 50 0 EHAALO CC[N@H+](C)[C@@H](C)c1nc(COc2cccc(OC)c2)nn1C(C)(C)C ZINC000952860102 1137482688 /nfs/dbraw/zinc/48/26/88/1137482688.db2.gz DUJKGWCRZOAMHD-AWEZNQCLSA-N 1 2 346.475 3.633 50 0 EHAALO CC[N@@H+](C)[C@@H](C)c1nc(COc2cccc(OC)c2)nn1C(C)(C)C ZINC000952860102 1137482689 /nfs/dbraw/zinc/48/26/89/1137482689.db2.gz DUJKGWCRZOAMHD-AWEZNQCLSA-N 1 2 346.475 3.633 50 0 EHAALO c1csc(-c2ncc(C[N@@H+]3CCO[C@H](c4ccccc4)C3)cn2)c1 ZINC000952978975 1137484824 /nfs/dbraw/zinc/48/48/24/1137484824.db2.gz MKPWOSAEEAWZLL-KRWDZBQOSA-N 1 2 337.448 3.779 50 0 EHAALO c1csc(-c2ncc(C[N@H+]3CCO[C@H](c4ccccc4)C3)cn2)c1 ZINC000952978975 1137484825 /nfs/dbraw/zinc/48/48/25/1137484825.db2.gz MKPWOSAEEAWZLL-KRWDZBQOSA-N 1 2 337.448 3.779 50 0 EHAALO OCc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(F)cc2)o1 ZINC000055133426 214277765 /nfs/dbraw/zinc/27/77/65/214277765.db2.gz RTCIRJBZACRENM-UHFFFAOYSA-N 1 2 326.371 3.508 50 0 EHAALO OCc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(F)cc2)o1 ZINC000055133426 214277769 /nfs/dbraw/zinc/27/77/69/214277769.db2.gz RTCIRJBZACRENM-UHFFFAOYSA-N 1 2 326.371 3.508 50 0 EHAALO CCN(Cc1ccc(C(C)C)cc1)C(=O)c1csc(C[NH+](C)C)n1 ZINC000055327950 214307562 /nfs/dbraw/zinc/30/75/62/214307562.db2.gz GPFJOMOJLAFJHP-UHFFFAOYSA-N 1 2 345.512 3.990 50 0 EHAALO CN(CCCn1cc[nH+]c1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000132279727 529898644 /nfs/dbraw/zinc/89/86/44/529898644.db2.gz MCAUSMDAMHBGNU-UHFFFAOYSA-N 1 2 345.752 3.718 50 0 EHAALO CCN(Cc1ccccc1)c1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000004354631 210178655 /nfs/dbraw/zinc/17/86/55/210178655.db2.gz LFJNAXAWFFUDES-UHFFFAOYSA-N 1 2 347.397 3.981 50 0 EHAALO Cc1ccc(C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000067206102 215124011 /nfs/dbraw/zinc/12/40/11/215124011.db2.gz AESCLVUXRPUIJF-UHFFFAOYSA-N 1 2 328.843 3.653 50 0 EHAALO CC(C)n1cc(-c2c(-c3ccccc3)ncn2CCc2c[nH]c[nH+]2)cn1 ZINC000067459708 215149041 /nfs/dbraw/zinc/14/90/41/215149041.db2.gz IANPDJMXRGTPLU-UHFFFAOYSA-N 1 2 346.438 3.960 50 0 EHAALO CC(C)n1cc(-c2c(-c3ccccc3)ncn2CCc2c[nH+]c[nH]2)cn1 ZINC000067459708 215149044 /nfs/dbraw/zinc/14/90/44/215149044.db2.gz IANPDJMXRGTPLU-UHFFFAOYSA-N 1 2 346.438 3.960 50 0 EHAALO CCn1nc(C[NH2+]Cc2nc3c(ccc(C)c3C)[nH]2)c2ccccc21 ZINC000067850877 215229647 /nfs/dbraw/zinc/22/96/47/215229647.db2.gz KLKLGRLQTMZERK-UHFFFAOYSA-N 1 2 333.439 3.839 50 0 EHAALO CC(C)c1nccc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccsc2)n1 ZINC000067921906 215252009 /nfs/dbraw/zinc/25/20/09/215252009.db2.gz HYBGICZUGBHEBT-KRWDZBQOSA-N 1 2 339.468 3.532 50 0 EHAALO S=c1oc2ccccc2n1C[NH+]1CCN(c2ccccc2)CC1 ZINC000069004587 215351367 /nfs/dbraw/zinc/35/13/67/215351367.db2.gz ICTMIPIZRSKVEA-UHFFFAOYSA-N 1 2 325.437 3.743 50 0 EHAALO C[N@H+](Cc1csc(-c2ccccn2)n1)Cc1ccc2c(c1)OCO2 ZINC000040487737 213316745 /nfs/dbraw/zinc/31/67/45/213316745.db2.gz IOWBMRAMRUDRQG-UHFFFAOYSA-N 1 2 339.420 3.566 50 0 EHAALO C[N@@H+](Cc1csc(-c2ccccn2)n1)Cc1ccc2c(c1)OCO2 ZINC000040487737 213316747 /nfs/dbraw/zinc/31/67/47/213316747.db2.gz IOWBMRAMRUDRQG-UHFFFAOYSA-N 1 2 339.420 3.566 50 0 EHAALO COc1cccc(C[N@H+](C)Cc2ncc(-c3ccccc3)o2)c1OC ZINC000040161520 213277437 /nfs/dbraw/zinc/27/74/37/213277437.db2.gz XCIQVXZNLRSUBF-UHFFFAOYSA-N 1 2 338.407 3.991 50 0 EHAALO COc1cccc(C[N@@H+](C)Cc2ncc(-c3ccccc3)o2)c1OC ZINC000040161520 213277439 /nfs/dbraw/zinc/27/74/39/213277439.db2.gz XCIQVXZNLRSUBF-UHFFFAOYSA-N 1 2 338.407 3.991 50 0 EHAALO C[C@@H](NC(=O)N(C)Cc1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040024108 213252355 /nfs/dbraw/zinc/25/23/55/213252355.db2.gz JKYDOGJAWQSRRP-CQSZACIVSA-N 1 2 340.452 3.836 50 0 EHAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1cccc(Cl)c1 ZINC000040024064 213251059 /nfs/dbraw/zinc/25/10/59/213251059.db2.gz PPPSDVBRWZWZBL-UHFFFAOYSA-N 1 2 340.814 3.907 50 0 EHAALO Cc1cc2[nH+]cn(CC3CCN(C(=O)c4cccnc4)CC3)c2cc1C ZINC000038534696 213213362 /nfs/dbraw/zinc/21/33/62/213213362.db2.gz COBAGZNFYIZENA-UHFFFAOYSA-N 1 2 348.450 3.601 50 0 EHAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCCc2ccccc21 ZINC000036396298 213096855 /nfs/dbraw/zinc/09/68/55/213096855.db2.gz MJESZSDQUACTKE-NRFANRHFSA-N 1 2 345.446 3.668 50 0 EHAALO C[C@H](NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C)c1ccc(F)cc1 ZINC000035277787 213017460 /nfs/dbraw/zinc/01/74/60/213017460.db2.gz PCBJWMVJTGKHJO-QWHCGFSZSA-N 1 2 332.444 3.684 50 0 EHAALO C[C@H](NC(=O)C[N@H+]1CCc2sccc2[C@H]1C)c1ccc(F)cc1 ZINC000035277787 213017462 /nfs/dbraw/zinc/01/74/62/213017462.db2.gz PCBJWMVJTGKHJO-QWHCGFSZSA-N 1 2 332.444 3.684 50 0 EHAALO O=C(Nc1ccc(F)cc1F)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000072155939 216045386 /nfs/dbraw/zinc/04/53/86/216045386.db2.gz VHTFOFWELWIGDV-CQSZACIVSA-N 1 2 334.370 3.638 50 0 EHAALO Cc1cc2nc(-c3ccccc3)cc(NCC[C@H](C)n3cc[nH+]c3)n2n1 ZINC000072412259 216205579 /nfs/dbraw/zinc/20/55/79/216205579.db2.gz OXKZWOAMQYWJKZ-INIZCTEOSA-N 1 2 346.438 3.964 50 0 EHAALO CCC[C@H](Nc1cc(C(C)C)nc2cc(C)nn21)c1[nH+]ccn1C ZINC000072428761 216220684 /nfs/dbraw/zinc/22/06/84/216220684.db2.gz JYDJGCJHQDHISG-AWEZNQCLSA-N 1 2 326.448 3.848 50 0 EHAALO O=C(c1coc2ccccc12)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072454548 216243137 /nfs/dbraw/zinc/24/31/37/216243137.db2.gz ABYZSLKCKLYKKU-UHFFFAOYSA-N 1 2 338.382 3.530 50 0 EHAALO Nc1cc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc[nH+]1 ZINC000191474091 239133166 /nfs/dbraw/zinc/13/31/66/239133166.db2.gz ZMVFBVWTHWNZMN-OAHLLOKOSA-N 1 2 338.238 3.544 50 0 EHAALO Cc1cccc(NC(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)c1 ZINC000023846479 212395797 /nfs/dbraw/zinc/39/57/97/212395797.db2.gz CHFHGLWLZIXHHD-UHFFFAOYSA-N 1 2 331.419 3.783 50 0 EHAALO Cc1cccc(NC(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)c1 ZINC000023846479 212395799 /nfs/dbraw/zinc/39/57/99/212395799.db2.gz CHFHGLWLZIXHHD-UHFFFAOYSA-N 1 2 331.419 3.783 50 0 EHAALO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000023718554 212391412 /nfs/dbraw/zinc/39/14/12/212391412.db2.gz SKYJIPULMIDUBN-IBGZPJMESA-N 1 2 349.434 3.659 50 0 EHAALO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000023718554 212391416 /nfs/dbraw/zinc/39/14/16/212391416.db2.gz SKYJIPULMIDUBN-IBGZPJMESA-N 1 2 349.434 3.659 50 0 EHAALO CC[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1[nH]cc(C)[nH+]1 ZINC000215686457 241139206 /nfs/dbraw/zinc/13/92/06/241139206.db2.gz GDFJKBPKCITNPY-CYBMUJFWSA-N 1 2 325.334 3.547 50 0 EHAALO Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000225748906 242015998 /nfs/dbraw/zinc/01/59/98/242015998.db2.gz SOGJNIXPSLSWNF-UHFFFAOYSA-N 1 2 338.386 3.892 50 0 EHAALO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000021579279 212233212 /nfs/dbraw/zinc/23/32/12/212233212.db2.gz ALWRAZKZZINLKL-VIFPVBQESA-N 1 2 344.267 3.909 50 0 EHAALO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000021579279 212233214 /nfs/dbraw/zinc/23/32/14/212233214.db2.gz ALWRAZKZZINLKL-VIFPVBQESA-N 1 2 344.267 3.909 50 0 EHAALO Cc1cc(C[N@H+]2CCc3n[nH]c(Cc4cccs4)c3C2)oc1C ZINC000020908728 212185969 /nfs/dbraw/zinc/18/59/69/212185969.db2.gz QZGAKWSYPHSPPC-UHFFFAOYSA-N 1 2 327.453 3.830 50 0 EHAALO Cc1cc(C[N@@H+]2CCc3[nH]nc(Cc4cccs4)c3C2)oc1C ZINC000020908728 212185956 /nfs/dbraw/zinc/18/59/56/212185956.db2.gz QZGAKWSYPHSPPC-UHFFFAOYSA-N 1 2 327.453 3.830 50 0 EHAALO Cc1cc(C[N@H+]2CCc3[nH]nc(Cc4cccs4)c3C2)oc1C ZINC000020908728 212185961 /nfs/dbraw/zinc/18/59/61/212185961.db2.gz QZGAKWSYPHSPPC-UHFFFAOYSA-N 1 2 327.453 3.830 50 0 EHAALO Cc1cc(C[N@@H+]2CCc3n[nH]c(Cc4cccs4)c3C2)oc1C ZINC000020908728 212185965 /nfs/dbraw/zinc/18/59/65/212185965.db2.gz QZGAKWSYPHSPPC-UHFFFAOYSA-N 1 2 327.453 3.830 50 0 EHAALO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020457794 212133055 /nfs/dbraw/zinc/13/30/55/212133055.db2.gz GAHMEXRSUCJKFM-UHFFFAOYSA-N 1 2 347.821 3.829 50 0 EHAALO C[C@@H]1C[NH+](CCOc2ccc(Cl)cc2Br)C[C@@H](C)O1 ZINC000020168371 212108684 /nfs/dbraw/zinc/10/86/84/212108684.db2.gz XVICSHBDGZJXDI-GHMZBOCLSA-N 1 2 348.668 3.591 50 0 EHAALO COC(=O)c1c(/C=C/[NH+](C)C)onc1-c1c(Cl)cccc1Cl ZINC000049952277 214037718 /nfs/dbraw/zinc/03/77/18/214037718.db2.gz VNGMJYMAXYGYOP-BQYQJAHWSA-N 1 2 341.194 3.967 50 0 EHAALO O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1C[NH+]1CCCCC1 ZINC000019201886 212004616 /nfs/dbraw/zinc/00/46/16/212004616.db2.gz ZKQRMZQCCLFEET-RWZRJOGJSA-N 1 2 328.437 3.723 50 0 EHAALO CCOCC1CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)cc2)CC1 ZINC000079312976 217207534 /nfs/dbraw/zinc/20/75/34/217207534.db2.gz MHLBITJPCRCAHT-UHFFFAOYSA-N 1 2 340.423 3.763 50 0 EHAALO Cc1cccn2c(CC(=O)N3CCCCC[C@@H]3c3ccco3)c[nH+]c12 ZINC000091625346 218034617 /nfs/dbraw/zinc/03/46/17/218034617.db2.gz NXRNUZGNFVDTBD-QGZVFWFLSA-N 1 2 337.423 3.922 50 0 EHAALO C[C@@H](NC(=O)N1CCC(c2[nH+]ccn2C)CC1)c1ccc(Cl)cc1 ZINC000091665602 218044217 /nfs/dbraw/zinc/04/42/17/218044217.db2.gz FSMHHJHHWYWGGB-CYBMUJFWSA-N 1 2 346.862 3.724 50 0 EHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)Cc2ccc(F)cc2F)CC1 ZINC000091793977 218067660 /nfs/dbraw/zinc/06/76/60/218067660.db2.gz CZGNIWJSNFHJAY-UHFFFAOYSA-N 1 2 347.409 3.691 50 0 EHAALO Cc1ccc(C[N@@H+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)o1 ZINC000011217491 211208335 /nfs/dbraw/zinc/20/83/35/211208335.db2.gz NJDIYGMCJAOXOZ-LJQANCHMSA-N 1 2 332.419 3.672 50 0 EHAALO Cc1ccc(C[N@H+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)o1 ZINC000011217491 211208340 /nfs/dbraw/zinc/20/83/40/211208340.db2.gz NJDIYGMCJAOXOZ-LJQANCHMSA-N 1 2 332.419 3.672 50 0 EHAALO O=C1CCC(c2ccccc2)(c2ccccc2)CN1Cc1[nH]cc[nH+]1 ZINC000091952311 218094783 /nfs/dbraw/zinc/09/47/83/218094783.db2.gz BMJODSQIKMENCD-UHFFFAOYSA-N 1 2 331.419 3.518 50 0 EHAALO CCn1c[nH+]cc1CNC(=O)c1sc2cccc(F)c2c1Cl ZINC000092098858 218119887 /nfs/dbraw/zinc/11/98/87/218119887.db2.gz MHSSDIPXOKWABS-UHFFFAOYSA-N 1 2 337.807 3.840 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(F)cc1)c1cccc(F)c1 ZINC000009317618 211065712 /nfs/dbraw/zinc/06/57/12/211065712.db2.gz IBHRKKXMRUHJCG-MRXNPFEDSA-N 1 2 342.349 3.609 50 0 EHAALO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)ccc1F ZINC000095369625 218302145 /nfs/dbraw/zinc/30/21/45/218302145.db2.gz HGXILKPUONXTER-MRXNPFEDSA-N 1 2 329.419 3.931 50 0 EHAALO CCOC(=O)N(C)C1CC[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000095406245 218342337 /nfs/dbraw/zinc/34/23/37/218342337.db2.gz INQZANGEJBWMKM-CYBMUJFWSA-N 1 2 337.464 3.586 50 0 EHAALO CN(C)c1nc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)ns1 ZINC000095412777 218350733 /nfs/dbraw/zinc/35/07/33/218350733.db2.gz WVWPWHYAMOTFRI-KRWDZBQOSA-N 1 2 338.480 3.678 50 0 EHAALO Cc1[nH+]cc(CNc2cccc(C[S@@](C)=O)c2)n1-c1ccccc1 ZINC000095429145 218371937 /nfs/dbraw/zinc/37/19/37/218371937.db2.gz GXSVNVVLRBRBMQ-DEOSSOPVSA-N 1 2 339.464 3.671 50 0 EHAALO C[NH+]1CCN(C(=O)c2ccnc(-c3ccc(C4CCCC4)cc3)c2)CC1 ZINC000097514187 219031445 /nfs/dbraw/zinc/03/14/45/219031445.db2.gz WLONPTCQBNDMDY-UHFFFAOYSA-N 1 2 349.478 3.794 50 0 EHAALO CCn1c2ccccc2[nH+]c1CCNc1nccc(-c2cccnc2)n1 ZINC000097594973 219037098 /nfs/dbraw/zinc/03/70/98/219037098.db2.gz TVOHEPOXCONXRV-UHFFFAOYSA-N 1 2 344.422 3.563 50 0 EHAALO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3s2)nn1 ZINC000330032758 258002507 /nfs/dbraw/zinc/00/25/07/258002507.db2.gz RMODAFGBTBWIIW-OAHLLOKOSA-N 1 2 340.452 3.822 50 0 EHAALO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3s2)nn1 ZINC000330032758 258002508 /nfs/dbraw/zinc/00/25/08/258002508.db2.gz RMODAFGBTBWIIW-OAHLLOKOSA-N 1 2 340.452 3.822 50 0 EHAALO Cc1ccc(-c2cn(CC(=O)c3ccc(F)cc3)c(=[NH2+])n2C)cc1C ZINC000334157598 258004752 /nfs/dbraw/zinc/00/47/52/258004752.db2.gz QUVVEBLRWMIYEV-UHFFFAOYSA-N 1 2 337.398 3.612 50 0 EHAALO Cc1nc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cc[nH+]1 ZINC000291634779 258011630 /nfs/dbraw/zinc/01/16/30/258011630.db2.gz ASBIKGMNHLFGPJ-IAQYHMDHSA-N 1 2 337.345 3.770 50 0 EHAALO CC(C)Cn1c[nH+]cc1CNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000299762312 258079687 /nfs/dbraw/zinc/07/96/87/258079687.db2.gz UAWKIYFUHFTDHM-UHFFFAOYSA-N 1 2 340.349 3.880 50 0 EHAALO Cc1cccc(C[N@@H+]2CCN(c3cccc(Cl)c3)C(=O)[C@H]2C)c1 ZINC000037519612 132393717 /nfs/dbraw/zinc/39/37/17/132393717.db2.gz GNNPTRPJISASRZ-OAHLLOKOSA-N 1 2 328.843 3.886 50 0 EHAALO Cc1cccc(C[N@H+]2CCN(c3cccc(Cl)c3)C(=O)[C@H]2C)c1 ZINC000037519612 132393719 /nfs/dbraw/zinc/39/37/19/132393719.db2.gz GNNPTRPJISASRZ-OAHLLOKOSA-N 1 2 328.843 3.886 50 0 EHAALO COc1cccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c1 ZINC000024601359 537124021 /nfs/dbraw/zinc/12/40/21/537124021.db2.gz ICWGCNOGNQXSRM-UHFFFAOYSA-N 1 2 339.464 3.627 50 0 EHAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1cc(C)ccc1Cl ZINC000000243123 563265443 /nfs/dbraw/zinc/26/54/43/563265443.db2.gz INPRQQRGDIPOLY-CQSZACIVSA-N 1 2 330.815 3.746 50 0 EHAALO C[C@H](Nc1nc(N2CCOCC2)[nH+]c2ccccc21)c1ccccc1 ZINC000000568537 563348350 /nfs/dbraw/zinc/34/83/50/563348350.db2.gz XHYVKNDONGWIHK-HNNXBMFYSA-N 1 2 334.423 3.640 50 0 EHAALO Clc1cncc(Cl)c1CN1CCC(Oc2cc[nH+]cc2)CC1 ZINC000584901965 563417230 /nfs/dbraw/zinc/41/72/30/563417230.db2.gz SRMGOTHXFHOKBX-UHFFFAOYSA-N 1 2 338.238 3.827 50 0 EHAALO CCc1noc(C)c1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000097378553 563610219 /nfs/dbraw/zinc/61/02/19/563610219.db2.gz SJTHFSBPMYGNBF-GFCCVEGCSA-N 1 2 348.472 3.518 50 0 EHAALO CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)cs1 ZINC000229923415 563665725 /nfs/dbraw/zinc/66/57/25/563665725.db2.gz LPWLJCWMMXIMCA-ZIAGYGMSSA-N 1 2 334.489 3.652 50 0 EHAALO CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)cs1 ZINC000229923415 563665730 /nfs/dbraw/zinc/66/57/30/563665730.db2.gz LPWLJCWMMXIMCA-ZIAGYGMSSA-N 1 2 334.489 3.652 50 0 EHAALO CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H](c3cc(C)[nH]n3)C2)cs1 ZINC000229923415 563665735 /nfs/dbraw/zinc/66/57/35/563665735.db2.gz LPWLJCWMMXIMCA-ZIAGYGMSSA-N 1 2 334.489 3.652 50 0 EHAALO CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](c3cc(C)[nH]n3)C2)cs1 ZINC000229923415 563665739 /nfs/dbraw/zinc/66/57/39/563665739.db2.gz LPWLJCWMMXIMCA-ZIAGYGMSSA-N 1 2 334.489 3.652 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)C1CCCCC1)c1ccc(Cl)cc1 ZINC000012629317 563666133 /nfs/dbraw/zinc/66/61/33/563666133.db2.gz WZMBWYAORYUJQY-INIZCTEOSA-N 1 2 331.847 3.859 50 0 EHAALO CC(C)(C)n1nc(Cc2cccc3ccccc32)c2c1nc[nH+]c2N ZINC000013132888 563690594 /nfs/dbraw/zinc/69/05/94/563690594.db2.gz GDQXJQSQYMMKRA-UHFFFAOYSA-N 1 2 331.423 3.908 50 0 in-vivo EHAALO c1csc([C@@H]([NH2+]Cc2nnnn2-c2ccccc2)c2ccccc2)c1 ZINC000014169566 563746567 /nfs/dbraw/zinc/74/65/67/563746567.db2.gz FBOVOKSICFNKQV-IBGZPJMESA-N 1 2 347.447 3.603 50 0 EHAALO COc1cccc(-c2noc(C[N@H+](C)[C@@H](C)c3cccs3)n2)c1 ZINC000016434899 563811217 /nfs/dbraw/zinc/81/12/17/563811217.db2.gz KWXVRDIURPWAME-LBPRGKRZSA-N 1 2 329.425 4.000 50 0 EHAALO COc1cccc(-c2noc(C[N@@H+](C)[C@@H](C)c3cccs3)n2)c1 ZINC000016434899 563811219 /nfs/dbraw/zinc/81/12/19/563811219.db2.gz KWXVRDIURPWAME-LBPRGKRZSA-N 1 2 329.425 4.000 50 0 EHAALO Cc1ccc(C)c(OC[C@@H](O)Cn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000016903747 563825600 /nfs/dbraw/zinc/82/56/00/563825600.db2.gz JHMHATQCCXPKAJ-KRWDZBQOSA-N 1 2 336.435 3.970 50 0 EHAALO Fc1ccccc1N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000023750769 563867543 /nfs/dbraw/zinc/86/75/43/563867543.db2.gz BLDVGJBEXZPJOL-UHFFFAOYSA-N 1 2 327.428 3.758 50 0 EHAALO CN(C)C(=O)[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000026879385 563893854 /nfs/dbraw/zinc/89/38/54/563893854.db2.gz ZQOVKQVIMOACEB-RTWAWAEBSA-N 1 2 345.446 3.590 50 0 EHAALO O=C(c1ccccc1C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028210669 563901735 /nfs/dbraw/zinc/90/17/35/563901735.db2.gz UOJHYVAKORDOHD-UHFFFAOYSA-N 1 2 348.368 3.663 50 0 EHAALO Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CC[NH+](C)CC2)cc1 ZINC000030830516 563910823 /nfs/dbraw/zinc/91/08/23/563910823.db2.gz SGPKXIRQBOICMO-UHFFFAOYSA-N 1 2 343.858 3.653 50 0 EHAALO CC(C)(C)Cc1cc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)on1 ZINC000058244836 563940661 /nfs/dbraw/zinc/94/06/61/563940661.db2.gz NKRBFSONJOTLJE-CQSZACIVSA-N 1 2 347.463 3.696 50 0 EHAALO CCc1noc([C@@H](C)[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)n1 ZINC000058292578 563941862 /nfs/dbraw/zinc/94/18/62/563941862.db2.gz SMUPYPVSBGLKJF-LLVKDONJSA-N 1 2 349.381 3.566 50 0 EHAALO Cc1cccc(C)c1OCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000058933614 563947367 /nfs/dbraw/zinc/94/73/67/563947367.db2.gz WXUOUFVVKIVENI-IBGZPJMESA-N 1 2 329.415 3.895 50 0 EHAALO Cc1cccc(C)c1OCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000058933614 563947369 /nfs/dbraw/zinc/94/73/69/563947369.db2.gz WXUOUFVVKIVENI-IBGZPJMESA-N 1 2 329.415 3.895 50 0 EHAALO CCCn1cc[nH+]c1-c1cccc(NC(=O)Nc2c(C)n[nH]c2C)c1 ZINC000096485505 563955473 /nfs/dbraw/zinc/95/54/73/563955473.db2.gz ISSDCPPXUABZCN-UHFFFAOYSA-N 1 2 338.415 3.944 50 0 EHAALO Clc1ccc(-n2nc(C3CC3)nc2C2(Cn3cc[nH+]c3)CC2)cc1 ZINC000065398164 563959810 /nfs/dbraw/zinc/95/98/10/563959810.db2.gz IDOATNMLZGXHRJ-UHFFFAOYSA-N 1 2 339.830 3.726 50 0 EHAALO Cc1[nH+]cnc(N2CCC(CO)(Cc3ccccc3Cl)CC2)c1C ZINC000067817238 563962806 /nfs/dbraw/zinc/96/28/06/563962806.db2.gz ODDSMAKSYJGPJV-UHFFFAOYSA-N 1 2 345.874 3.568 50 0 EHAALO Cc1ccn2cc(CNC(=O)CCCc3ccc(Cl)cc3)[nH+]c2c1 ZINC000071435591 563964407 /nfs/dbraw/zinc/96/44/07/563964407.db2.gz UWFUVDDYUGPAHF-UHFFFAOYSA-N 1 2 341.842 3.935 50 0 EHAALO Cc1cc(C)n(C[C@H](C)n2cc[nH+]c2-c2ccc3nsnc3c2)n1 ZINC000071524058 563964514 /nfs/dbraw/zinc/96/45/14/563964514.db2.gz MAJNUGMRQUOKLH-ZDUSSCGKSA-N 1 2 338.440 3.629 50 0 EHAALO COc1ccc2cc([C@H]3CN(c4cc[nH+]cc4F)CCO3)ccc2c1 ZINC000071575902 563964543 /nfs/dbraw/zinc/96/45/43/563964543.db2.gz VHCILXNQZYZVJW-HXUWFJFHSA-N 1 2 338.382 3.960 50 0 EHAALO c1cn(C[C@@H]2CCCCO2)c(-c2cnc(NCc3ccccc3)nc2)[nH+]1 ZINC000071662615 563964734 /nfs/dbraw/zinc/96/47/34/563964734.db2.gz CPFWOIUBLXUVDL-SFHVURJKSA-N 1 2 349.438 3.521 50 0 EHAALO Cc1cccc(-c2nc(Cn3cc[nH+]c3[C@H]3CCOC3)cs2)c1 ZINC000077469834 563969808 /nfs/dbraw/zinc/96/98/08/563969808.db2.gz KXXDZEGVSQUAMN-HNNXBMFYSA-N 1 2 325.437 3.867 50 0 EHAALO CC(C)n1c[nH+]cc1Cn1ccc(-c2cccc(-c3cnccn3)c2)n1 ZINC000082039487 563971950 /nfs/dbraw/zinc/97/19/50/563971950.db2.gz GNKRQBGJXKYBMS-UHFFFAOYSA-N 1 2 344.422 3.833 50 0 EHAALO Cn1cnnc1CCn1cc[nH+]c1-c1cccc(Oc2ccccc2)c1 ZINC000082097072 563972164 /nfs/dbraw/zinc/97/21/64/563972164.db2.gz OAQPMNSHLWWSTQ-UHFFFAOYSA-N 1 2 345.406 3.714 50 0 EHAALO CCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)N1CC(c2ccccn2)C1 ZINC000091269918 563975148 /nfs/dbraw/zinc/97/51/48/563975148.db2.gz RDWRXOZLAVLCIS-GOSISDBHSA-N 1 2 348.450 3.571 50 0 EHAALO COc1ccc2c(c1)OC[C@@H](Cc1ccc(Cn3cc[nH+]c3)cc1)C2 ZINC000095522588 563977419 /nfs/dbraw/zinc/97/74/19/563977419.db2.gz OAULZINKFKFQPL-SFHVURJKSA-N 1 2 334.419 3.734 50 0 EHAALO CCc1ccc(C[N@@H+]2CCc3nc(-c4cccc(OC)c4)[nH]c3C2)nc1 ZINC000096153199 563979717 /nfs/dbraw/zinc/97/97/17/563979717.db2.gz AJVUCHKINAWJBI-UHFFFAOYSA-N 1 2 348.450 3.601 50 0 EHAALO CCc1ccc(C[N@H+]2CCc3nc(-c4cccc(OC)c4)[nH]c3C2)nc1 ZINC000096153199 563979718 /nfs/dbraw/zinc/97/97/18/563979718.db2.gz AJVUCHKINAWJBI-UHFFFAOYSA-N 1 2 348.450 3.601 50 0 EHAALO CCn1ccc2cc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)ccc21 ZINC000097642248 563981746 /nfs/dbraw/zinc/98/17/46/563981746.db2.gz QHWNOGZBKPZCNW-SFHVURJKSA-N 1 2 338.455 3.702 50 0 EHAALO c1ccc(OC2CCCC2)c(C[N@@H+]2CCO[C@H](c3cccnc3)C2)c1 ZINC000097813708 563981940 /nfs/dbraw/zinc/98/19/40/563981940.db2.gz GWRCZVYKGGUGJI-NRFANRHFSA-N 1 2 338.451 3.977 50 0 EHAALO c1ccc(OC2CCCC2)c(C[N@H+]2CCO[C@H](c3cccnc3)C2)c1 ZINC000097813708 563981941 /nfs/dbraw/zinc/98/19/41/563981941.db2.gz GWRCZVYKGGUGJI-NRFANRHFSA-N 1 2 338.451 3.977 50 0 EHAALO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@H]1c1cccs1 ZINC000106829016 564026656 /nfs/dbraw/zinc/02/66/56/564026656.db2.gz WNLHWHLRKZEYBW-CVEARBPZSA-N 1 2 341.480 3.723 50 0 EHAALO CC[C@H](C(=O)N1CC([N@@H+]2CCc3sccc3C2)C1)c1ccccc1 ZINC000390828018 564034782 /nfs/dbraw/zinc/03/47/82/564034782.db2.gz NLYAFIBWODLQBF-SFHVURJKSA-N 1 2 340.492 3.511 50 0 EHAALO CC[C@H](C(=O)N1CC([N@H+]2CCc3sccc3C2)C1)c1ccccc1 ZINC000390828018 564034783 /nfs/dbraw/zinc/03/47/83/564034783.db2.gz NLYAFIBWODLQBF-SFHVURJKSA-N 1 2 340.492 3.511 50 0 EHAALO CCC(C)(C)NC(=O)CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2 ZINC000032752926 564036177 /nfs/dbraw/zinc/03/61/77/564036177.db2.gz YYDUUKLOYORJLS-UHFFFAOYSA-N 1 2 346.431 3.647 50 0 EHAALO CCc1ccccc1NC(=O)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000033071695 564036446 /nfs/dbraw/zinc/03/64/46/564036446.db2.gz PCPLFAKYMHDISM-MRXNPFEDSA-N 1 2 348.450 3.980 50 0 EHAALO COc1ccccc1-c1ccc(C(=O)NC[C@@H](C)n2cc[nH+]c2)cc1 ZINC000223784398 564040841 /nfs/dbraw/zinc/04/08/41/564040841.db2.gz CCGVOPHLHVNNRT-OAHLLOKOSA-N 1 2 335.407 3.550 50 0 EHAALO Cc1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000012550035 564059082 /nfs/dbraw/zinc/05/90/82/564059082.db2.gz HHRIVPHGLQWKBE-QGZVFWFLSA-N 1 2 338.386 3.779 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(Cl)c1)c1cccc(F)c1 ZINC000012558970 564059424 /nfs/dbraw/zinc/05/94/24/564059424.db2.gz ISQPKEAZQUNSNE-INIZCTEOSA-N 1 2 343.789 3.732 50 0 EHAALO CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)cs1 ZINC000084800591 564070284 /nfs/dbraw/zinc/07/02/84/564070284.db2.gz LPWLJCWMMXIMCA-KGLIPLIRSA-N 1 2 334.489 3.652 50 0 EHAALO CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)cs1 ZINC000084800591 564070285 /nfs/dbraw/zinc/07/02/85/564070285.db2.gz LPWLJCWMMXIMCA-KGLIPLIRSA-N 1 2 334.489 3.652 50 0 EHAALO CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)cs1 ZINC000084800591 564070286 /nfs/dbraw/zinc/07/02/86/564070286.db2.gz LPWLJCWMMXIMCA-KGLIPLIRSA-N 1 2 334.489 3.652 50 0 EHAALO CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)cs1 ZINC000084800591 564070287 /nfs/dbraw/zinc/07/02/87/564070287.db2.gz LPWLJCWMMXIMCA-KGLIPLIRSA-N 1 2 334.489 3.652 50 0 EHAALO CCOc1ccccc1Nc1nnc(SCCn2cc[nH+]c2)s1 ZINC000084811026 564070349 /nfs/dbraw/zinc/07/03/49/564070349.db2.gz YGGCNJKQFPBQBJ-UHFFFAOYSA-N 1 2 347.469 3.669 50 0 EHAALO CN(Cc1ccsc1)c1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000012818772 564073254 /nfs/dbraw/zinc/07/32/54/564073254.db2.gz WKXDYJBWPOIPLM-UHFFFAOYSA-N 1 2 339.399 3.653 50 0 EHAALO O=C(Nc1ccc(-c2c[nH+]c3n2CCC3)cc1)c1ccc2[nH]cnc2c1 ZINC000085471582 564073474 /nfs/dbraw/zinc/07/34/74/564073474.db2.gz HXJVOYSNGFEYJQ-UHFFFAOYSA-N 1 2 343.390 3.625 50 0 EHAALO O=C(NCCCn1cc[nH+]c1-c1ccccc1)c1c(F)cccc1F ZINC000085555030 564073875 /nfs/dbraw/zinc/07/38/75/564073875.db2.gz FOFGLPICCHLWAK-UHFFFAOYSA-N 1 2 341.361 3.648 50 0 EHAALO O=C(NCCCn1cc[nH+]c1)Nc1ccccc1SC(F)(F)F ZINC000047863128 564075706 /nfs/dbraw/zinc/07/57/06/564075706.db2.gz JSWRVXKKVKLQAJ-UHFFFAOYSA-N 1 2 344.362 3.707 50 0 EHAALO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCSCC1 ZINC000089573983 564092911 /nfs/dbraw/zinc/09/29/11/564092911.db2.gz SLINNQOKYAHNNU-INIZCTEOSA-N 1 2 340.492 3.653 50 0 EHAALO S=c1n(C[NH+]2CCCCC2)nc(C2CC2)n1Cc1ccccc1 ZINC000006985649 564102634 /nfs/dbraw/zinc/10/26/34/564102634.db2.gz RLWUJSDFILTWQD-UHFFFAOYSA-N 1 2 328.485 3.783 50 0 EHAALO COc1cccc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)c1 ZINC000014196254 564112275 /nfs/dbraw/zinc/11/22/75/564112275.db2.gz ZEUQZQXQJJHRGK-UHFFFAOYSA-N 1 2 334.822 3.810 50 0 EHAALO Clc1cc2c(nc[nH+]c2N2CCC[C@H]2c2ccc3c(c2)OCO3)[nH]1 ZINC000089800411 564113966 /nfs/dbraw/zinc/11/39/66/564113966.db2.gz AJFVTNGYKCRZBF-LBPRGKRZSA-N 1 2 342.786 3.682 50 0 EHAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)C(C)(C)C)cc2)[nH+]1 ZINC000017012952 564116137 /nfs/dbraw/zinc/11/61/37/564116137.db2.gz QZZZYCUGHNQOCX-UHFFFAOYSA-N 1 2 327.432 3.579 50 0 EHAALO O=C(OCCc1cn2ccccc2[nH+]1)C1(c2ccc(Cl)cc2)CC1 ZINC000253425179 564131100 /nfs/dbraw/zinc/13/11/00/564131100.db2.gz QHGLNCKXZWNIKN-UHFFFAOYSA-N 1 2 340.810 3.805 50 0 EHAALO O=C(N[C@H](c1ccccc1)C1CCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000253431090 564131801 /nfs/dbraw/zinc/13/18/01/564131801.db2.gz GIYQIZXFARGEGW-LJQANCHMSA-N 1 2 338.455 3.840 50 0 EHAALO O=C(N[C@H](c1ccccc1)C1CCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000253431090 564131802 /nfs/dbraw/zinc/13/18/02/564131802.db2.gz GIYQIZXFARGEGW-LJQANCHMSA-N 1 2 338.455 3.840 50 0 EHAALO C[C@H](CC[C@H]1CCCO1)NC(=O)c1ccc(Oc2cc[nH+]cc2)cc1 ZINC000079310128 564138057 /nfs/dbraw/zinc/13/80/57/564138057.db2.gz AEJYSJOMHHMNSX-NVXWUHKLSA-N 1 2 340.423 3.951 50 0 EHAALO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3)c2C1 ZINC000095946520 564142216 /nfs/dbraw/zinc/14/22/16/564142216.db2.gz YJTCFVYTJIUQRB-UHFFFAOYSA-N 1 2 348.443 3.742 50 0 EHAALO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3)c2C1 ZINC000095946520 564142217 /nfs/dbraw/zinc/14/22/17/564142217.db2.gz YJTCFVYTJIUQRB-UHFFFAOYSA-N 1 2 348.443 3.742 50 0 EHAALO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1nnc(-c2ccc(F)cc2)o1 ZINC000095984484 564143837 /nfs/dbraw/zinc/14/38/37/564143837.db2.gz BHJBDSRMMACIBS-LLVKDONJSA-N 1 2 345.349 3.874 50 0 EHAALO CC[C@@H]([NH2+]Cc1nnc(C)s1)c1ccccc1Br ZINC000095985891 564143922 /nfs/dbraw/zinc/14/39/22/564143922.db2.gz USFMSMDCMVSUDL-GFCCVEGCSA-N 1 2 326.263 3.850 50 0 EHAALO O=C(NCCCCn1cc[nH+]c1)C1(c2cccs2)CCCCC1 ZINC000096414447 564147718 /nfs/dbraw/zinc/14/77/18/564147718.db2.gz AWZWDSZPFDJTCD-UHFFFAOYSA-N 1 2 331.485 3.743 50 0 EHAALO Cc1cc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c(C)o1 ZINC000096446434 564148252 /nfs/dbraw/zinc/14/82/52/564148252.db2.gz VJHKTHOQXQEIDA-RTBURBONSA-N 1 2 335.407 3.752 50 0 EHAALO COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000225608604 564149958 /nfs/dbraw/zinc/14/99/58/564149958.db2.gz AVRJOSOMJZWWHQ-ZWKOTPCHSA-N 1 2 347.418 3.505 50 0 EHAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1ccc2ccccc2n1 ZINC000031803337 564159861 /nfs/dbraw/zinc/15/98/61/564159861.db2.gz OOGJTVUFWIKGJW-UHFFFAOYSA-N 1 2 328.375 3.732 50 0 EHAALO CCCCc1nc(Cl)c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)[nH]1 ZINC000670462310 564161170 /nfs/dbraw/zinc/16/11/70/564161170.db2.gz YHYITAMSHNSRMJ-CYBMUJFWSA-N 1 2 333.867 3.575 50 0 EHAALO CCCCc1nc(Cl)c(C[N@H+]2CCC[C@@H](c3ccncn3)C2)[nH]1 ZINC000670462310 564161171 /nfs/dbraw/zinc/16/11/71/564161171.db2.gz YHYITAMSHNSRMJ-CYBMUJFWSA-N 1 2 333.867 3.575 50 0 EHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(C)cc(C)c2)cc1F ZINC000008183829 564163377 /nfs/dbraw/zinc/16/33/77/564163377.db2.gz UQFZWYRZMZEMFG-UHFFFAOYSA-N 1 2 330.403 3.522 50 0 EHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C)cc(C)c2)cc1F ZINC000008183829 564163378 /nfs/dbraw/zinc/16/33/78/564163378.db2.gz UQFZWYRZMZEMFG-UHFFFAOYSA-N 1 2 330.403 3.522 50 0 EHAALO O=C(c1ccc2[nH+]ccn2c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000068255243 564167559 /nfs/dbraw/zinc/16/75/59/564167559.db2.gz REEBZJWCCXKJLB-UHFFFAOYSA-N 1 2 344.418 3.835 50 0 EHAALO Cc1c[nH+]c([C@@H]2CCN(C(=O)NCc3ccc(C)cc3)C2)n1C(C)C ZINC000169788009 1032653447 /nfs/dbraw/zinc/65/34/47/1032653447.db2.gz AVDKTDMETLUMLP-GOSISDBHSA-N 1 2 340.471 3.780 50 0 EHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000581808580 1132370694 /nfs/dbraw/zinc/37/06/94/1132370694.db2.gz YHBURAXBLIJWFX-GOSISDBHSA-N 1 2 338.455 3.607 50 0 EHAALO COc1ccccc1[C@H](C)[NH+]1CCN(C(=O)c2csc(C)c2)CC1 ZINC000585081650 1136964878 /nfs/dbraw/zinc/96/48/78/1136964878.db2.gz ADSPMAAILDSBCH-HNNXBMFYSA-N 1 2 344.480 3.584 50 0 EHAALO Cn1cnc(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)c1 ZINC000585083838 1136970890 /nfs/dbraw/zinc/97/08/90/1136970890.db2.gz ZRFRWWCPDQWSHA-CYBMUJFWSA-N 1 2 326.227 3.730 50 0 EHAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCCC[C@@H]1c1cccnc1 ZINC000097632102 219042771 /nfs/dbraw/zinc/04/27/71/219042771.db2.gz OXHQASDAKGYBQD-LJQANCHMSA-N 1 2 332.407 3.635 50 0 EHAALO CC(=O)Oc1c(C)cc(C[N@@H+]2CCCC[C@@H]2c2nc(C)no2)cc1C ZINC000055360954 214312040 /nfs/dbraw/zinc/31/20/40/214312040.db2.gz KVCFGEKZVUZXOF-QGZVFWFLSA-N 1 2 343.427 3.647 50 0 EHAALO CC(=O)Oc1c(C)cc(C[N@H+]2CCCC[C@@H]2c2nc(C)no2)cc1C ZINC000055360954 214312041 /nfs/dbraw/zinc/31/20/41/214312041.db2.gz KVCFGEKZVUZXOF-QGZVFWFLSA-N 1 2 343.427 3.647 50 0 EHAALO O=C(NCCNc1cccc[nH+]1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000063705466 214766302 /nfs/dbraw/zinc/76/63/02/214766302.db2.gz IZOBTZHDUCDNLM-UHFFFAOYSA-N 1 2 330.391 3.558 50 0 EHAALO CCc1[nH]c([C@@H]2C[C@H](NC(C)=O)C[C@H](C3CCCCC3)O2)c(C)[nH+]1 ZINC000065394079 214886371 /nfs/dbraw/zinc/88/63/71/214886371.db2.gz QOMMBBKOHSMQKQ-ZACQAIPSSA-N 1 2 333.476 3.586 50 0 EHAALO CC(C)N(CC1CC1)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067675531 215181297 /nfs/dbraw/zinc/18/12/97/215181297.db2.gz LGSRUAKXFBYSPB-UHFFFAOYSA-N 1 2 341.455 3.567 50 0 EHAALO CC(C)N(CC1CC1)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067675531 215181300 /nfs/dbraw/zinc/18/13/00/215181300.db2.gz LGSRUAKXFBYSPB-UHFFFAOYSA-N 1 2 341.455 3.567 50 0 EHAALO Cc1ccc(-c2ccsc2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000042513348 213508741 /nfs/dbraw/zinc/50/87/41/213508741.db2.gz KEFVJFGFFAYFEV-AWEZNQCLSA-N 1 2 325.437 3.739 50 0 EHAALO Cc1cc(NCc2c[nH]nc2-c2cccs2)nc(-c2cccnc2)[nH+]1 ZINC000067920994 215251213 /nfs/dbraw/zinc/25/12/13/215251213.db2.gz YUKPLZOUGYYYHP-UHFFFAOYSA-N 1 2 348.435 3.911 50 0 EHAALO Cc1nc(C(C)C)sc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000040525060 213334773 /nfs/dbraw/zinc/33/47/73/213334773.db2.gz ORGAJDBDEZSVNG-UHFFFAOYSA-N 1 2 344.484 3.500 50 0 EHAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000040092433 213262913 /nfs/dbraw/zinc/26/29/13/213262913.db2.gz GHLNUQWGLWOQDL-IRXDYDNUSA-N 1 2 349.434 3.522 50 0 EHAALO Cc1sc(NC(=O)c2cccs2)c(C[NH+]2CCOCC2)c1C ZINC000038546092 213213984 /nfs/dbraw/zinc/21/39/84/213213984.db2.gz RYYFTYNCHZRJQQ-UHFFFAOYSA-N 1 2 336.482 3.511 50 0 EHAALO Cc1ccccc1Nc1c(C(=O)N2CCOCC2)c[nH+]c2ccccc21 ZINC000035478536 213031588 /nfs/dbraw/zinc/03/15/88/213031588.db2.gz KFPWKWOZKDYOQO-UHFFFAOYSA-N 1 2 347.418 3.759 50 0 EHAALO COc1cc(-c2[nH+]ccn2CCc2cccs2)cc2c1OCO2 ZINC000071751621 215809256 /nfs/dbraw/zinc/80/92/56/215809256.db2.gz XRZJBMMUQIKQQU-UHFFFAOYSA-N 1 2 328.393 3.592 50 0 EHAALO Cc1c[nH+]ccc1NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000071900252 215941990 /nfs/dbraw/zinc/94/19/90/215941990.db2.gz LOMHNIUKHSQWKJ-LLVKDONJSA-N 1 2 335.201 3.559 50 0 EHAALO O=S1(=O)C=C[C@H](n2cc[nH+]c2-c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000072124040 216016493 /nfs/dbraw/zinc/01/64/93/216016493.db2.gz VPGJAAZDBNBKMV-KRWDZBQOSA-N 1 2 348.427 3.605 50 0 EHAALO Cc1cc(Cn2cc[nH+]c2-c2cccc(OCc3ccccn3)c2)no1 ZINC000072155928 216045425 /nfs/dbraw/zinc/04/54/25/216045425.db2.gz VAFWHPGEXMJFCC-UHFFFAOYSA-N 1 2 346.390 3.869 50 0 EHAALO Cc1nc(C[N@@H+]2CCC[C@H](C(=O)CCc3ccccc3)C2)cs1 ZINC000072158101 216048133 /nfs/dbraw/zinc/04/81/33/216048133.db2.gz LEUMMZJLDNUCOY-KRWDZBQOSA-N 1 2 328.481 3.865 50 0 EHAALO Cc1nc(C[N@H+]2CCC[C@H](C(=O)CCc3ccccc3)C2)cs1 ZINC000072158101 216048136 /nfs/dbraw/zinc/04/81/36/216048136.db2.gz LEUMMZJLDNUCOY-KRWDZBQOSA-N 1 2 328.481 3.865 50 0 EHAALO C[C@@H](c1nncn1C)n1cc[nH+]c1C(c1ccccc1)c1ccccc1 ZINC000072163781 216052800 /nfs/dbraw/zinc/05/28/00/216052800.db2.gz NZUOWPBCQZVLKV-INIZCTEOSA-N 1 2 343.434 3.801 50 0 EHAALO CCc1nc2cc(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2o1 ZINC000072287665 216120076 /nfs/dbraw/zinc/12/00/76/216120076.db2.gz WWEKNHLHIFCJLC-GFCCVEGCSA-N 1 2 339.399 3.525 50 0 EHAALO Cc1cc(C[C@@H](C)n2cc[nH+]c2-c2cccc(-n3cccn3)c2)n[nH]1 ZINC000072420180 216209501 /nfs/dbraw/zinc/20/95/01/216209501.db2.gz PSXKVODNYMGZFC-OAHLLOKOSA-N 1 2 332.411 3.571 50 0 EHAALO Cc1cc(C[C@@H](C)n2cc[nH+]c2-c2cccc(-n3cccn3)c2)[nH]n1 ZINC000072420180 216209502 /nfs/dbraw/zinc/20/95/02/216209502.db2.gz PSXKVODNYMGZFC-OAHLLOKOSA-N 1 2 332.411 3.571 50 0 EHAALO O=C(c1cccs1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000023820150 212395696 /nfs/dbraw/zinc/39/56/96/212395696.db2.gz DCZKILBHBKTSMY-UHFFFAOYSA-N 1 2 342.489 3.921 50 0 EHAALO CC(=O)c1cccc(C[N@@H+]2CCc3[nH]nc(-c4cccc(F)c4)c3C2)c1 ZINC000023338056 212369090 /nfs/dbraw/zinc/36/90/90/212369090.db2.gz LQEOVCQWDQXINA-UHFFFAOYSA-N 1 2 349.409 3.977 50 0 EHAALO CC(=O)c1cccc(C[N@H+]2CCc3[nH]nc(-c4cccc(F)c4)c3C2)c1 ZINC000023338056 212369092 /nfs/dbraw/zinc/36/90/92/212369092.db2.gz LQEOVCQWDQXINA-UHFFFAOYSA-N 1 2 349.409 3.977 50 0 EHAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(CC(C)C)no2)c(OC)c1 ZINC000022845770 212327631 /nfs/dbraw/zinc/32/76/31/212327631.db2.gz YCZZOSSELBOGOA-MRXNPFEDSA-N 1 2 345.443 3.622 50 0 EHAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(CC(C)C)no2)c(OC)c1 ZINC000022845770 212327634 /nfs/dbraw/zinc/32/76/34/212327634.db2.gz YCZZOSSELBOGOA-MRXNPFEDSA-N 1 2 345.443 3.622 50 0 EHAALO Clc1ccc2c(c1)C[N@@H+](Cc1cnc(N3CCCC3)s1)CCO2 ZINC000215297846 241116607 /nfs/dbraw/zinc/11/66/07/241116607.db2.gz BSKZMEXZQKKRNN-UHFFFAOYSA-N 1 2 349.887 3.791 50 0 EHAALO Clc1ccc2c(c1)C[N@H+](Cc1cnc(N3CCCC3)s1)CCO2 ZINC000215297846 241116611 /nfs/dbraw/zinc/11/66/11/241116611.db2.gz BSKZMEXZQKKRNN-UHFFFAOYSA-N 1 2 349.887 3.791 50 0 EHAALO C[N@H+](Cc1cnc2ccccn12)Cc1cnc(C2CCCCC2)nc1 ZINC000215773813 241143189 /nfs/dbraw/zinc/14/31/89/241143189.db2.gz GENKPKLNRUGSOK-UHFFFAOYSA-N 1 2 335.455 3.804 50 0 EHAALO C[N@@H+](Cc1cnc2ccccn12)Cc1cnc(C2CCCCC2)nc1 ZINC000215773813 241143197 /nfs/dbraw/zinc/14/31/97/241143197.db2.gz GENKPKLNRUGSOK-UHFFFAOYSA-N 1 2 335.455 3.804 50 0 EHAALO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000022032407 212272009 /nfs/dbraw/zinc/27/20/09/212272009.db2.gz IGNXYLSQDZTEII-RMKNXTFCSA-N 1 2 331.463 3.999 50 0 EHAALO COc1cccc([C@H]([NH2+][C@H](C)c2nccnc2C)c2ccccn2)c1 ZINC000242302321 243016470 /nfs/dbraw/zinc/01/64/70/243016470.db2.gz YRKWUEYPRHLTBV-QRWLVFNGSA-N 1 2 334.423 3.629 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CSc1ccccc1 ZINC000242389553 243019259 /nfs/dbraw/zinc/01/92/59/243019259.db2.gz ZYGLZOJNMCMRHT-INIZCTEOSA-N 1 2 329.469 3.749 50 0 EHAALO COc1ccc(OCCn2c3ccccc3n(CC(C)C)c2=[NH2+])cc1 ZINC000019939833 212088366 /nfs/dbraw/zinc/08/83/66/212088366.db2.gz YECYEVPQFUQQKP-UHFFFAOYSA-N 1 2 339.439 3.666 50 0 EHAALO CCCOc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000077556257 216936761 /nfs/dbraw/zinc/93/67/61/216936761.db2.gz OFOMQQHTSUWEDF-AWEZNQCLSA-N 1 2 347.846 3.872 50 0 EHAALO CCCC12CN3CC(C)(C[N@H+](C1)C3c1cccc3ccccc31)C2=O ZINC000019320062 212015857 /nfs/dbraw/zinc/01/58/57/212015857.db2.gz LGMRMSWQUZKABP-UHFFFAOYSA-N 1 2 334.463 3.845 50 0 biogenic EHAALO CCCC12CN3CC(C)(C[N@@H+](C1)C3c1cccc3ccccc31)C2=O ZINC000019320062 212015858 /nfs/dbraw/zinc/01/58/58/212015858.db2.gz LGMRMSWQUZKABP-UHFFFAOYSA-N 1 2 334.463 3.845 50 0 biogenic EHAALO O=C(Nc1cccc(F)c1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000016551444 211912050 /nfs/dbraw/zinc/91/20/50/211912050.db2.gz BKKWQAUGCZBVQT-UHFFFAOYSA-N 1 2 347.821 3.829 50 0 EHAALO CCOc1ccccc1C[N@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000079099713 217192550 /nfs/dbraw/zinc/19/25/50/217192550.db2.gz HFQFREFUMVVLJH-CQSZACIVSA-N 1 2 338.411 3.723 50 0 EHAALO CCOc1ccccc1C[N@@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000079099713 217192555 /nfs/dbraw/zinc/19/25/55/217192555.db2.gz HFQFREFUMVVLJH-CQSZACIVSA-N 1 2 338.411 3.723 50 0 EHAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000012994691 211502681 /nfs/dbraw/zinc/50/26/81/211502681.db2.gz OONROUUJJCSHTP-LBPRGKRZSA-N 1 2 334.872 3.637 50 0 EHAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000012994691 211502683 /nfs/dbraw/zinc/50/26/83/211502683.db2.gz OONROUUJJCSHTP-LBPRGKRZSA-N 1 2 334.872 3.637 50 0 EHAALO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000012380664 211361606 /nfs/dbraw/zinc/36/16/06/211361606.db2.gz ZPBYZRAGZJDBON-QGZVFWFLSA-N 1 2 349.434 3.524 50 0 EHAALO CCC[N@@H+](Cc1nc(Cc2ccccc2Cl)no1)C[C@@H]1CCCO1 ZINC000012051681 211282809 /nfs/dbraw/zinc/28/28/09/211282809.db2.gz JFAYPLNKUJJVNL-HNNXBMFYSA-N 1 2 349.862 3.705 50 0 EHAALO CCC[N@H+](Cc1nc(Cc2ccccc2Cl)no1)C[C@@H]1CCCO1 ZINC000012051681 211282815 /nfs/dbraw/zinc/28/28/15/211282815.db2.gz JFAYPLNKUJJVNL-HNNXBMFYSA-N 1 2 349.862 3.705 50 0 EHAALO Cc1ccc2c(c1)C[N@@H+](Cc1coc3ccccc3c1=O)C[C@H](C)O2 ZINC000011782759 211248701 /nfs/dbraw/zinc/24/87/01/211248701.db2.gz RFACPQAUOOMDAH-HNNXBMFYSA-N 1 2 335.403 3.885 50 0 EHAALO Cc1ccc2c(c1)C[N@H+](Cc1coc3ccccc3c1=O)C[C@H](C)O2 ZINC000011782759 211248704 /nfs/dbraw/zinc/24/87/04/211248704.db2.gz RFACPQAUOOMDAH-HNNXBMFYSA-N 1 2 335.403 3.885 50 0 EHAALO CC(C)=C[C@H]1[C@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1(C)C ZINC000095348878 218282463 /nfs/dbraw/zinc/28/24/63/218282463.db2.gz JLHNZDRFFLLEAC-FUHWJXTLSA-N 1 2 327.472 3.536 50 0 EHAALO Cc1cc(C(=O)Nc2cc[nH+]cc2O)cc(C)c1OCc1cccnc1 ZINC000095394602 218326531 /nfs/dbraw/zinc/32/65/31/218326531.db2.gz TUFUIMJFTSTION-UHFFFAOYSA-N 1 2 349.390 3.630 50 0 EHAALO Cn1cc[nH+]c1CNc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000095412004 218348795 /nfs/dbraw/zinc/34/87/95/218348795.db2.gz FDIZNYATTCMJMT-SFHVURJKSA-N 1 2 327.815 3.767 50 0 EHAALO Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000097372620 219016779 /nfs/dbraw/zinc/01/67/79/219016779.db2.gz ULWSZUHPJNBKLO-SNVBAGLBSA-N 1 2 337.427 3.913 50 0 EHAALO COc1ccccc1N1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000057338402 132199737 /nfs/dbraw/zinc/19/97/37/132199737.db2.gz OOZMGAREHCRAKV-UHFFFAOYSA-N 1 2 349.434 3.672 50 0 EHAALO Cc1cccc(N2CC[N@@H+](CC(=O)c3c[nH]c4ccccc34)C[C@@H]2C)c1 ZINC000035945971 132390793 /nfs/dbraw/zinc/39/07/93/132390793.db2.gz QOFSQRKKCNYIFS-KRWDZBQOSA-N 1 2 347.462 3.870 50 0 EHAALO Cc1cccc(N2CC[N@H+](CC(=O)c3c[nH]c4ccccc34)C[C@@H]2C)c1 ZINC000035945971 132390795 /nfs/dbraw/zinc/39/07/95/132390795.db2.gz QOFSQRKKCNYIFS-KRWDZBQOSA-N 1 2 347.462 3.870 50 0 EHAALO Cc1cccc(C[N@@H+]2CCN(c3cc(C)ccc3F)C(=O)[C@H]2C)c1 ZINC000037519878 132394731 /nfs/dbraw/zinc/39/47/31/132394731.db2.gz DHWVUNFAUVYRAN-MRXNPFEDSA-N 1 2 326.415 3.680 50 0 EHAALO Cc1cccc(C[N@H+]2CCN(c3cc(C)ccc3F)C(=O)[C@H]2C)c1 ZINC000037519878 132394733 /nfs/dbraw/zinc/39/47/33/132394733.db2.gz DHWVUNFAUVYRAN-MRXNPFEDSA-N 1 2 326.415 3.680 50 0 EHAALO Cc1ccc(C)c(OCc2nnc(SCc3cccc(N)[nH+]3)o2)c1 ZINC000191544046 533701128 /nfs/dbraw/zinc/70/11/28/533701128.db2.gz ANVGTAQALPWBSD-UHFFFAOYSA-N 1 2 342.424 3.535 50 0 EHAALO CC(F)(F)c1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000187031263 528744406 /nfs/dbraw/zinc/74/44/06/528744406.db2.gz ZORJFOLPRAMHIB-OAHLLOKOSA-N 1 2 346.381 3.594 50 0 EHAALO Cc1ccc2[nH+]c(-c3ccc(I)cc3)cn2c1 ZINC000000281319 563271861 /nfs/dbraw/zinc/27/18/61/563271861.db2.gz SWTBQJKEEKKOKG-UHFFFAOYSA-N 1 2 334.160 3.914 50 0 EHAALO CC(=O)O[C@H](COc1cccc(C)c1)Cn1c(C)[nH+]c2ccccc21 ZINC000000385965 563302545 /nfs/dbraw/zinc/30/25/45/563302545.db2.gz CRVUTLWCUHWTGB-SFHVURJKSA-N 1 2 338.407 3.664 50 0 EHAALO Cc1noc(C)c1NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000071911382 563582747 /nfs/dbraw/zinc/58/27/47/563582747.db2.gz IJSNNOCVMLJSND-QGZVFWFLSA-N 1 2 327.428 3.593 50 0 EHAALO Cc1noc(C)c1NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000071911382 563582750 /nfs/dbraw/zinc/58/27/50/563582750.db2.gz IJSNNOCVMLJSND-QGZVFWFLSA-N 1 2 327.428 3.593 50 0 EHAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc(Cl)cc1Cl ZINC000006849167 563588939 /nfs/dbraw/zinc/58/89/39/563588939.db2.gz MYVZVQRJAYZOOD-UHFFFAOYSA-N 1 2 335.234 3.990 50 0 EHAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(Cl)cc1Cl ZINC000006849167 563588944 /nfs/dbraw/zinc/58/89/44/563588944.db2.gz MYVZVQRJAYZOOD-UHFFFAOYSA-N 1 2 335.234 3.990 50 0 EHAALO C[N@H+](Cc1cc(=O)n2ccccc2n1)Cc1cccc(Cl)c1Cl ZINC000015451428 563784604 /nfs/dbraw/zinc/78/46/04/563784604.db2.gz NUKNXMMLJUWKHQ-UHFFFAOYSA-N 1 2 348.233 3.633 50 0 EHAALO C[N@@H+](Cc1cc(=O)n2ccccc2n1)Cc1cccc(Cl)c1Cl ZINC000015451428 563784606 /nfs/dbraw/zinc/78/46/06/563784606.db2.gz NUKNXMMLJUWKHQ-UHFFFAOYSA-N 1 2 348.233 3.633 50 0 EHAALO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000016602667 563815826 /nfs/dbraw/zinc/81/58/26/563815826.db2.gz SBGVJNXIXPOWCL-UHFFFAOYSA-N 1 2 328.843 3.606 50 0 EHAALO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000032932775 563843457 /nfs/dbraw/zinc/84/34/57/563843457.db2.gz MFVNPESRJOAFBQ-MRXNPFEDSA-N 1 2 327.428 3.629 50 0 EHAALO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000032932775 563843461 /nfs/dbraw/zinc/84/34/61/563843461.db2.gz MFVNPESRJOAFBQ-MRXNPFEDSA-N 1 2 327.428 3.629 50 0 EHAALO O=C(NCc1ccccc1Cl)c1cccc(Cn2cc[nH+]c2)c1 ZINC000032932000 563843669 /nfs/dbraw/zinc/84/36/69/563843669.db2.gz ABMFTQAATZIOCD-UHFFFAOYSA-N 1 2 325.799 3.515 50 0 EHAALO CCSc1ccccc1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000024983787 563878912 /nfs/dbraw/zinc/87/89/12/563878912.db2.gz ZSINPUHWPRAQSS-UHFFFAOYSA-N 1 2 339.464 3.887 50 0 EHAALO Cc1ccccc1NCCC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025179808 563881917 /nfs/dbraw/zinc/88/19/17/563881917.db2.gz GXKVCJARMAXQQY-UHFFFAOYSA-N 1 2 334.423 3.681 50 0 EHAALO O=C(NCC1(c2ccccc2)CCCC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025750692 563887726 /nfs/dbraw/zinc/88/77/26/563887726.db2.gz USCNTMRIAGYRKG-UHFFFAOYSA-N 1 2 346.434 3.509 50 0 EHAALO C[C@H](NC(=O)NCCc1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000029655667 563907858 /nfs/dbraw/zinc/90/78/58/563907858.db2.gz LZBLPABNWIZNCT-AWEZNQCLSA-N 1 2 340.452 3.537 50 0 EHAALO O=S(=O)(Cc1cn2ccccc2[nH+]1)Cc1cccc2ccccc21 ZINC000058629499 563909480 /nfs/dbraw/zinc/90/94/80/563909480.db2.gz GIEWBUQFYYMRCZ-UHFFFAOYSA-N 1 2 336.416 3.603 50 0 EHAALO O=C(NCc1ccc(N2CCc3ccccc3C2)[nH+]c1)[C@@H]1CC=CCC1 ZINC000046315328 563929250 /nfs/dbraw/zinc/92/92/50/563929250.db2.gz AWLOJQYYLFPMOK-LJQANCHMSA-N 1 2 347.462 3.617 50 0 EHAALO COc1ccc2c(c1)CCC[N@@H+](Cc1nnc(-c3cccs3)o1)C2 ZINC000071910866 563932107 /nfs/dbraw/zinc/93/21/07/563932107.db2.gz SAJCMLNCOIXBNA-UHFFFAOYSA-N 1 2 341.436 3.755 50 0 EHAALO COc1ccc2c(c1)CCC[N@H+](Cc1nnc(-c3cccs3)o1)C2 ZINC000071910866 563932109 /nfs/dbraw/zinc/93/21/09/563932109.db2.gz SAJCMLNCOIXBNA-UHFFFAOYSA-N 1 2 341.436 3.755 50 0 EHAALO O=C(NCCCn1cc[nH+]c1)c1sccc1-c1ccc(F)cc1 ZINC000058281357 563941561 /nfs/dbraw/zinc/94/15/61/563941561.db2.gz PTBKXKLQQUXJMT-UHFFFAOYSA-N 1 2 329.400 3.571 50 0 EHAALO O=C(/C=C/c1ccsc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000058282784 563941705 /nfs/dbraw/zinc/94/17/05/563941705.db2.gz FZGVGLMJFXXFBP-AATRIKPKSA-N 1 2 339.420 3.676 50 0 EHAALO O=C(CCc1ccc2ccccc2c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000058327046 563942576 /nfs/dbraw/zinc/94/25/76/563942576.db2.gz CKLIUMRDAUNVIV-UHFFFAOYSA-N 1 2 333.435 3.833 50 0 EHAALO Cc1ccccc1[C@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058328055 563942722 /nfs/dbraw/zinc/94/27/22/563942722.db2.gz JCWNLXHYLRNWAY-GOSISDBHSA-N 1 2 332.407 3.553 50 0 EHAALO CCc1ccc(C(=O)CCC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000058416932 563945490 /nfs/dbraw/zinc/94/54/90/563945490.db2.gz OOALIZMSBDSBDX-UHFFFAOYSA-N 1 2 335.407 3.807 50 0 EHAALO C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432041 563952608 /nfs/dbraw/zinc/95/26/08/563952608.db2.gz LMPAFFGARIFQMO-MRXNPFEDSA-N 1 2 347.418 3.713 50 0 EHAALO COCc1ccccc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432102 563952718 /nfs/dbraw/zinc/95/27/18/563952718.db2.gz ZLZKKAXRNXBOAY-HNNXBMFYSA-N 1 2 335.407 3.510 50 0 EHAALO CC(C)c1cnc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)o1 ZINC000096491274 563955616 /nfs/dbraw/zinc/95/56/16/563955616.db2.gz IABHDNSRSCJMNQ-ZDUSSCGKSA-N 1 2 329.400 3.605 50 0 EHAALO CC[C@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccccc1Br ZINC000096492258 563955695 /nfs/dbraw/zinc/95/56/95/563955695.db2.gz KGHUIYIXTUXTAH-ZDUSSCGKSA-N 1 2 336.233 3.950 50 0 EHAALO CS[C@H](C)Cc1c(-c2ccccc2)[nH+]cn1Cc1cnc(C)cn1 ZINC000065426315 563960663 /nfs/dbraw/zinc/96/06/63/563960663.db2.gz ODKXMSDFIXVJOE-OAHLLOKOSA-N 1 2 338.480 3.991 50 0 EHAALO COc1ccc2ccccc2c1Cn1ccnc1-c1c[nH+]c(C)n1C ZINC000071738432 563964903 /nfs/dbraw/zinc/96/49/03/563964903.db2.gz IVQCFSKIWMGWLO-UHFFFAOYSA-N 1 2 332.407 3.802 50 0 EHAALO CSc1ccc(-c2nc(CN(C)Cc3[nH]cc[nH+]3)c(C)o2)cc1 ZINC000071775481 563965695 /nfs/dbraw/zinc/96/56/95/563965695.db2.gz PDWNNBMTIQVPMM-UHFFFAOYSA-N 1 2 328.441 3.727 50 0 EHAALO CCOc1cccc2cc([C@@H](C)[NH2+][C@H]3CCCn4nc(C)nc43)oc21 ZINC000097034726 563966943 /nfs/dbraw/zinc/96/69/43/563966943.db2.gz FHYZUUWAADSPOW-DOMZBBRYSA-N 1 2 340.427 3.917 50 0 EHAALO Brc1cnsc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000585136603 563971919 /nfs/dbraw/zinc/97/19/19/563971919.db2.gz MPTFHOZMHNZZGH-UHFFFAOYSA-N 1 2 345.306 3.829 50 0 EHAALO COc1cccc(-c2nccn2-c2cccc(-c3c[nH]c[nH+]3)c2)c1OC ZINC000082137699 563972663 /nfs/dbraw/zinc/97/26/63/563972663.db2.gz WFBBHFILUBLCDR-UHFFFAOYSA-N 1 2 346.390 3.947 50 0 EHAALO O=C(Cn1cc[nH+]c1)Nc1ccccc1NCc1ccc(Cl)cc1 ZINC000158230663 563974762 /nfs/dbraw/zinc/97/47/62/563974762.db2.gz MEMHGQKCYKIXMT-UHFFFAOYSA-N 1 2 340.814 3.787 50 0 EHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(O)c(C)c2)C1 ZINC000095520522 563977387 /nfs/dbraw/zinc/97/73/87/563977387.db2.gz QHQKUXKKSBQERZ-QGZVFWFLSA-N 1 2 341.455 3.717 50 0 EHAALO O=C(Oc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000000363106 563991678 /nfs/dbraw/zinc/99/16/78/563991678.db2.gz UEGDADLRPFCWHS-UHFFFAOYSA-N 1 2 343.180 3.854 50 0 EHAALO Cc1cccc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1Cl ZINC000179080717 563997488 /nfs/dbraw/zinc/99/74/88/563997488.db2.gz CHKZXYYUCFNPIL-UHFFFAOYSA-N 1 2 331.847 3.704 50 0 EHAALO O=C(N[C@@H](c1ccccc1)C1CCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000253431086 563999256 /nfs/dbraw/zinc/99/92/56/563999256.db2.gz GIYQIZXFARGEGW-IBGZPJMESA-N 1 2 338.455 3.840 50 0 EHAALO O=C(N[C@@H](c1ccccc1)C1CCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000253431086 563999257 /nfs/dbraw/zinc/99/92/57/563999257.db2.gz GIYQIZXFARGEGW-IBGZPJMESA-N 1 2 338.455 3.840 50 0 EHAALO C[C@@H]1C[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@H](C)O1 ZINC000107071899 564026798 /nfs/dbraw/zinc/02/67/98/564026798.db2.gz MEPTVDCFVQDTLD-JTDSTZFVSA-N 1 2 349.434 3.935 50 0 EHAALO C[C@@H]1C[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C[C@H](C)O1 ZINC000107071899 564026799 /nfs/dbraw/zinc/02/67/99/564026799.db2.gz MEPTVDCFVQDTLD-JTDSTZFVSA-N 1 2 349.434 3.935 50 0 EHAALO CC1=NN(c2ccc(Cl)cc2)C(=O)C1=C[NH2+]Nc1ccc(C)cc1 ZINC000095471467 564036028 /nfs/dbraw/zinc/03/60/28/564036028.db2.gz AFPPQXPFPYHXIM-BOPFTXTBSA-N 1 2 340.814 3.872 50 0 EHAALO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1F ZINC000063515925 564057740 /nfs/dbraw/zinc/05/77/40/564057740.db2.gz ZCZVFZQLSBQNOQ-CQSZACIVSA-N 1 2 340.414 3.844 50 0 EHAALO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1F ZINC000063515925 564057741 /nfs/dbraw/zinc/05/77/41/564057741.db2.gz ZCZVFZQLSBQNOQ-CQSZACIVSA-N 1 2 340.414 3.844 50 0 EHAALO Cc1sc2nc(C[N@H+](C)Cc3ccc(F)cc3)nc(N)c2c1C ZINC000012558255 564059404 /nfs/dbraw/zinc/05/94/04/564059404.db2.gz OKSNPLNBIOJGMU-UHFFFAOYSA-N 1 2 330.432 3.661 50 0 EHAALO Cc1sc2nc(C[N@@H+](C)Cc3ccc(F)cc3)nc(N)c2c1C ZINC000012558255 564059405 /nfs/dbraw/zinc/05/94/05/564059405.db2.gz OKSNPLNBIOJGMU-UHFFFAOYSA-N 1 2 330.432 3.661 50 0 EHAALO Cc1ccsc1/C=C/C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000044890752 564060571 /nfs/dbraw/zinc/06/05/71/564060571.db2.gz PZUNAGHPSWPJNR-BLGFXRMMSA-N 1 2 337.448 3.709 50 0 EHAALO Cc1ccc(N2CCOC2=O)cc1NCc1cn2c(cccc2C)[nH+]1 ZINC000083143431 564061610 /nfs/dbraw/zinc/06/16/10/564061610.db2.gz MCPLIPMEUMQLNS-UHFFFAOYSA-N 1 2 336.395 3.520 50 0 EHAALO CC(C)c1noc([C@H](C)[NH+]2CCC([C@H](O)c3ccccc3)CC2)n1 ZINC000045914053 564063848 /nfs/dbraw/zinc/06/38/48/564063848.db2.gz XFAGOEMCBZRUCN-WMLDXEAASA-N 1 2 329.444 3.700 50 0 EHAALO Cc1ncsc1-c1nc(C[NH2+][C@H](c2ncccc2C)C(C)C)no1 ZINC000084247952 564067545 /nfs/dbraw/zinc/06/75/45/564067545.db2.gz KDTHBYGSHHDJIY-AWEZNQCLSA-N 1 2 343.456 3.692 50 0 EHAALO FC1(F)Oc2ccc(NCc3cn4cc(Cl)ccc4[nH+]3)cc2O1 ZINC000084489989 564068226 /nfs/dbraw/zinc/06/82/26/564068226.db2.gz FFFFWTMANZPCGO-UHFFFAOYSA-N 1 2 337.713 3.921 50 0 EHAALO C[C@H](c1ccco1)N(C(=O)N[C@H]1CCC[C@@H]1n1cc[nH+]c1)C1CC1 ZINC000086428321 564075656 /nfs/dbraw/zinc/07/56/56/564075656.db2.gz RHFILCLBLAAYRO-KBMXLJTQSA-N 1 2 328.416 3.505 50 0 EHAALO Cc1ccc(C(=O)N2CC[C@H](n3c(C)[nH+]c4ccccc43)C2)s1 ZINC000575618200 564083632 /nfs/dbraw/zinc/08/36/32/564083632.db2.gz UDPYZKORUBEZIQ-AWEZNQCLSA-N 1 2 325.437 3.802 50 0 EHAALO Cc1nc2c(s1)[C@H]([N@H+](C)CN1C(=O)[C@@H]3CCCCCC[C@H]31)CCC2 ZINC000240551387 564088257 /nfs/dbraw/zinc/08/82/57/564088257.db2.gz GTIQTGGJLKAAGW-DJIMGWMZSA-N 1 2 347.528 3.899 50 0 EHAALO Cc1nc2c(s1)[C@H]([N@@H+](C)CN1C(=O)[C@@H]3CCCCCC[C@H]31)CCC2 ZINC000240551387 564088258 /nfs/dbraw/zinc/08/82/58/564088258.db2.gz GTIQTGGJLKAAGW-DJIMGWMZSA-N 1 2 347.528 3.899 50 0 EHAALO CCCCN(Cc1cccnc1)C(=O)c1cccc(-c2c[nH]c[nH+]2)c1 ZINC000426511589 564093963 /nfs/dbraw/zinc/09/39/63/564093963.db2.gz GRVZXTNNKFWVNI-UHFFFAOYSA-N 1 2 334.423 3.914 50 0 EHAALO CCCn1cc[nH+]c1CNC(=O)c1ccc(-c2ccnc(C)c2)cc1 ZINC000426669190 564094328 /nfs/dbraw/zinc/09/43/28/564094328.db2.gz ZYTRMANEQVQLCI-UHFFFAOYSA-N 1 2 334.423 3.594 50 0 EHAALO c1noc(-c2ccccc2)c1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000065288892 564104711 /nfs/dbraw/zinc/10/47/11/564104711.db2.gz UIPQZZOEOTZPTK-UHFFFAOYSA-N 1 2 333.435 3.659 50 0 EHAALO CC(C)c1nc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cs1 ZINC000065490076 564106380 /nfs/dbraw/zinc/10/63/80/564106380.db2.gz QOHFWODTQZHDHE-UHFFFAOYSA-N 1 2 344.415 3.773 50 0 EHAALO C[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccco1 ZINC000007523652 564109813 /nfs/dbraw/zinc/10/98/13/564109813.db2.gz QFAQFJIUJHDUOD-IBGZPJMESA-N 1 2 340.448 3.679 50 0 EHAALO C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccco1 ZINC000007523652 564109814 /nfs/dbraw/zinc/10/98/14/564109814.db2.gz QFAQFJIUJHDUOD-IBGZPJMESA-N 1 2 340.448 3.679 50 0 EHAALO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@H]1c1ccccc1 ZINC000071820851 564111267 /nfs/dbraw/zinc/11/12/67/564111267.db2.gz BVEALGIQQLBDJA-MOPGFXCFSA-N 1 2 335.451 3.662 50 0 EHAALO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccc(F)cc1F ZINC000007788307 564123328 /nfs/dbraw/zinc/12/33/28/564123328.db2.gz YKSCYWPIBWDGOP-UHFFFAOYSA-N 1 2 334.341 3.707 50 0 EHAALO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccc(F)cc1F ZINC000007788307 564123329 /nfs/dbraw/zinc/12/33/29/564123329.db2.gz YKSCYWPIBWDGOP-UHFFFAOYSA-N 1 2 334.341 3.707 50 0 EHAALO O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000253427450 564131176 /nfs/dbraw/zinc/13/11/76/564131176.db2.gz FPKNOUMQGSRPOF-KOMQPUFPSA-N 1 2 328.391 3.766 50 0 EHAALO CC(C)(C)C(=O)CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000002449675 564135424 /nfs/dbraw/zinc/13/54/24/564135424.db2.gz VIQHQHLLIXYAPB-UHFFFAOYSA-N 1 2 340.452 3.582 50 0 EHAALO COc1ccc([C@@H](C)[NH2+]Cc2nccn2Cc2ccccc2)c(F)c1 ZINC000095968680 564143246 /nfs/dbraw/zinc/14/32/46/564143246.db2.gz VNVKYCWJSVNKQK-OAHLLOKOSA-N 1 2 339.414 3.930 50 0 EHAALO C/C(=C\C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000096297983 564146620 /nfs/dbraw/zinc/14/66/20/564146620.db2.gz QGVROGBEFNWBIZ-RZSMDCFUSA-N 1 2 346.474 3.948 50 0 EHAALO C[C@H](C(=O)Nc1cc(F)ccc1SCC(F)F)n1cc[nH+]c1 ZINC000096414514 564147724 /nfs/dbraw/zinc/14/77/24/564147724.db2.gz VNPFHAPKOCWCKK-SECBINFHSA-N 1 2 329.347 3.579 50 0 EHAALO Clc1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c2c(c1)COCO2 ZINC000029533816 564153688 /nfs/dbraw/zinc/15/36/88/564153688.db2.gz KZFXUDCFMFTSAT-SFHVURJKSA-N 1 2 345.826 3.780 50 0 EHAALO Clc1cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c2c(c1)COCO2 ZINC000029533816 564153689 /nfs/dbraw/zinc/15/36/89/564153689.db2.gz KZFXUDCFMFTSAT-SFHVURJKSA-N 1 2 345.826 3.780 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1C ZINC000057903079 564156498 /nfs/dbraw/zinc/15/64/98/564156498.db2.gz FYMGKWKKIQEQHA-CQSZACIVSA-N 1 2 330.453 3.915 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c1C ZINC000057903079 564156499 /nfs/dbraw/zinc/15/64/99/564156499.db2.gz FYMGKWKKIQEQHA-CQSZACIVSA-N 1 2 330.453 3.915 50 0 EHAALO Cc1c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)sc2ccsc12 ZINC000069656499 564171217 /nfs/dbraw/zinc/17/12/17/564171217.db2.gz NFRAQEAMZQWCFA-LBPRGKRZSA-N 1 2 331.466 3.945 50 0 EHAALO Cn1c(C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)nnc1C1CC1 ZINC000069844490 564172470 /nfs/dbraw/zinc/17/24/70/564172470.db2.gz ZPQGDKMDRMNUEJ-SFHVURJKSA-N 1 2 335.455 3.901 50 0 EHAALO Cn1c(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)nnc1C1CC1 ZINC000069844490 564172471 /nfs/dbraw/zinc/17/24/71/564172471.db2.gz ZPQGDKMDRMNUEJ-SFHVURJKSA-N 1 2 335.455 3.901 50 0 EHAALO C[C@H]1CCc2c(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)csc2C1 ZINC000069976286 564173076 /nfs/dbraw/zinc/17/30/76/564173076.db2.gz OBMJYJXVUFZKJP-KBPBESRZSA-N 1 2 329.469 3.547 50 0 EHAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000041402805 564173820 /nfs/dbraw/zinc/17/38/20/564173820.db2.gz ZNMUTBGTUIAIHU-XJKSGUPXSA-N 1 2 332.473 3.564 50 0 EHAALO CCOc1ccc(NC(=O)c2cc3c(s2)C[N@@H+](C2CC2)C3)cc1 ZINC000065238866 568421262 /nfs/dbraw/zinc/42/12/62/568421262.db2.gz RHAQKZNFVFGXNC-UHFFFAOYSA-N 1 2 328.437 3.877 50 0 EHAALO CCOc1ccc(NC(=O)c2cc3c(s2)C[N@H+](C2CC2)C3)cc1 ZINC000065238866 568421263 /nfs/dbraw/zinc/42/12/63/568421263.db2.gz RHAQKZNFVFGXNC-UHFFFAOYSA-N 1 2 328.437 3.877 50 0 EHAALO Cc1c[nH+]c(-c2cccnc2)n1C1CCN(C(=O)C2CCCC2)CC1 ZINC000581808836 1035618503 /nfs/dbraw/zinc/61/85/03/1035618503.db2.gz ROTURZYWJOJUTF-UHFFFAOYSA-N 1 2 338.455 3.607 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000581806576 1132368001 /nfs/dbraw/zinc/36/80/01/1132368001.db2.gz SZUSEXMDKAVJJV-GOSISDBHSA-N 1 2 335.407 3.929 50 0 EHAALO CCS[C@H]1CCCCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000585131625 1137021060 /nfs/dbraw/zinc/02/10/60/1137021060.db2.gz BANBTLRGXZGWED-QWHCGFSZSA-N 1 2 349.422 3.511 50 0 EHAALO Cc1cc2ncn(CC(O)Cn3c[nH+]c4cc(C)c(C)cc43)c2cc1C ZINC000051261533 214084454 /nfs/dbraw/zinc/08/44/54/214084454.db2.gz AAVIFNMPPOCCEX-UHFFFAOYSA-N 1 2 348.450 3.681 50 0 EHAALO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)c3nc(C4CC4)no3)CC2)cc1 ZINC000054295109 214230152 /nfs/dbraw/zinc/23/01/52/214230152.db2.gz ZJVVRJZLYDVBIY-AWEZNQCLSA-N 1 2 339.439 3.911 50 0 EHAALO C[N@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1cnc2ccccn12 ZINC000097759417 219055451 /nfs/dbraw/zinc/05/54/51/219055451.db2.gz SWMLGDPIHDCMKC-KRWDZBQOSA-N 1 2 325.412 3.801 50 0 EHAALO C[N@@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1cnc2ccccn12 ZINC000097759417 219055454 /nfs/dbraw/zinc/05/54/54/219055454.db2.gz SWMLGDPIHDCMKC-KRWDZBQOSA-N 1 2 325.412 3.801 50 0 EHAALO Cc1cnn([C@H](C)C2CC2)c1NC(=O)Cc1ccc2[nH]c(C)[nH+]c2c1 ZINC000055370740 214313994 /nfs/dbraw/zinc/31/39/94/214313994.db2.gz UNAUKAPAQSCDKZ-GFCCVEGCSA-N 1 2 337.427 3.528 50 0 EHAALO Cc1cnn([C@H](C)C2CC2)c1NC(=O)Cc1ccc2[nH+]c(C)[nH]c2c1 ZINC000055370740 214313997 /nfs/dbraw/zinc/31/39/97/214313997.db2.gz UNAUKAPAQSCDKZ-GFCCVEGCSA-N 1 2 337.427 3.528 50 0 EHAALO COc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000004354945 210179303 /nfs/dbraw/zinc/17/93/03/210179303.db2.gz NJRSZGQSFNHLAO-UHFFFAOYSA-N 1 2 345.406 3.745 50 0 EHAALO CC[C@@H]1CCCC[N@@H+]1Cn1nnn(-c2ccc(C)cc2C)c1=S ZINC000003334080 210010238 /nfs/dbraw/zinc/01/02/38/210010238.db2.gz LISRVPRWJDNVCU-OAHLLOKOSA-N 1 2 331.489 3.637 50 0 EHAALO CC[C@@H]1CCCC[N@H+]1Cn1nnn(-c2ccc(C)cc2C)c1=S ZINC000003334080 210010241 /nfs/dbraw/zinc/01/02/41/210010241.db2.gz LISRVPRWJDNVCU-OAHLLOKOSA-N 1 2 331.489 3.637 50 0 EHAALO Cc1ccc(-c2nn3c(C[N@@H+](C)Cc4ccccc4)nnc3s2)cc1 ZINC000067239840 215126191 /nfs/dbraw/zinc/12/61/91/215126191.db2.gz KLCLZAVIZJPURU-UHFFFAOYSA-N 1 2 349.463 3.793 50 0 EHAALO Cc1ccc(-c2nn3c(C[N@H+](C)Cc4ccccc4)nnc3s2)cc1 ZINC000067239840 215126194 /nfs/dbraw/zinc/12/61/94/215126194.db2.gz KLCLZAVIZJPURU-UHFFFAOYSA-N 1 2 349.463 3.793 50 0 EHAALO Oc1ccc(C[N@@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)cc1 ZINC000067642538 215171883 /nfs/dbraw/zinc/17/18/83/215171883.db2.gz NHYFHNJGPZCQMR-UHFFFAOYSA-N 1 2 348.402 3.554 50 0 EHAALO Oc1ccc(C[N@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)cc1 ZINC000067642538 215171887 /nfs/dbraw/zinc/17/18/87/215171887.db2.gz NHYFHNJGPZCQMR-UHFFFAOYSA-N 1 2 348.402 3.554 50 0 EHAALO Fc1cccc([C@H]2c3[nH]c[nH+]c3CCN2Cc2ccc(F)c(F)c2)c1 ZINC000067742360 215200857 /nfs/dbraw/zinc/20/08/57/215200857.db2.gz MBYJGSURPDGSGU-IBGZPJMESA-N 1 2 343.352 3.975 50 0 EHAALO Cc1[nH+]c[nH]c1CN1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067840689 215226711 /nfs/dbraw/zinc/22/67/11/215226711.db2.gz JDDBEPJXMQTTBN-UHFFFAOYSA-N 1 2 349.434 3.794 50 0 EHAALO Cc1[nH]c(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)c[nH+]1 ZINC000067871856 215236609 /nfs/dbraw/zinc/23/66/09/215236609.db2.gz IYYIZTPNDPEOQZ-UHFFFAOYSA-N 1 2 328.803 3.585 50 0 EHAALO Cc1[nH]cc(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)[nH+]1 ZINC000067871856 215236610 /nfs/dbraw/zinc/23/66/10/215236610.db2.gz IYYIZTPNDPEOQZ-UHFFFAOYSA-N 1 2 328.803 3.585 50 0 EHAALO CO[C@H](C)c1ccc(Oc2ccccc2C[NH+]2CCN(C)CC2)cc1 ZINC000067921234 215251570 /nfs/dbraw/zinc/25/15/70/215251570.db2.gz CLJYMTGZCWMNTO-QGZVFWFLSA-N 1 2 340.467 3.934 50 0 EHAALO COc1ccc(C)cc1-c1csc(NC(=O)[C@H](C)n2cc[nH+]c2)n1 ZINC000040553429 213347997 /nfs/dbraw/zinc/34/79/97/213347997.db2.gz BHRLMLNRFLZUCM-LBPRGKRZSA-N 1 2 342.424 3.523 50 0 EHAALO CN(C)c1nc(C[NH2+]Cc2ccccc2)c(Cl)n1-c1ccccc1 ZINC000040088647 213261313 /nfs/dbraw/zinc/26/13/13/213261313.db2.gz FQRIEDAOTRUJND-UHFFFAOYSA-N 1 2 340.858 3.882 50 0 EHAALO O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000036709749 213112060 /nfs/dbraw/zinc/11/20/60/213112060.db2.gz AXUGPDWVNFLDEQ-FQEVSTJZSA-N 1 2 331.419 3.739 50 0 EHAALO Cn1c([C@H]2c3[nH]c[nH+]c3CCN2Cc2ccco2)cc2ccccc21 ZINC000072152385 216041535 /nfs/dbraw/zinc/04/15/35/216041535.db2.gz QFADXKIGBRMYKC-FQEVSTJZSA-N 1 2 332.407 3.642 50 0 EHAALO Cc1cccc(OC2C[NH+](Cc3cccc(Cn4cccn4)c3)C2)c1 ZINC000072157275 216046520 /nfs/dbraw/zinc/04/65/20/216046520.db2.gz IYWCFTOCCBTQNY-UHFFFAOYSA-N 1 2 333.435 3.503 50 0 EHAALO Oc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000072164705 216052975 /nfs/dbraw/zinc/05/29/75/216052975.db2.gz WPSQZTBQTTYMKL-UHFFFAOYSA-N 1 2 348.849 3.893 50 0 EHAALO Oc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000072164705 216052978 /nfs/dbraw/zinc/05/29/78/216052978.db2.gz WPSQZTBQTTYMKL-UHFFFAOYSA-N 1 2 348.849 3.893 50 0 EHAALO Cc1oc(-c2ccccc2Cl)nc1CN(C)Cc1[nH+]ccn1C ZINC000072474436 216251709 /nfs/dbraw/zinc/25/17/09/216251709.db2.gz LPIAOBJGTWPWJU-UHFFFAOYSA-N 1 2 330.819 3.669 50 0 EHAALO Clc1ccc2[nH+]c(CSc3nnc(-c4cccnc4)o3)cn2c1 ZINC000022225817 212282800 /nfs/dbraw/zinc/28/28/00/212282800.db2.gz QAFIVBLSSLGKRZ-UHFFFAOYSA-N 1 2 343.799 3.725 50 0 EHAALO CCn1ccnc1C[N@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000215098976 241105588 /nfs/dbraw/zinc/10/55/88/241105588.db2.gz SWKNTLAHTURCMO-UHFFFAOYSA-N 1 2 336.439 3.509 50 0 EHAALO CCn1ccnc1C[N@@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000215098976 241105593 /nfs/dbraw/zinc/10/55/93/241105593.db2.gz SWKNTLAHTURCMO-UHFFFAOYSA-N 1 2 336.439 3.509 50 0 EHAALO CN(C(=O)c1cccc(-c2[nH]cc[nH+]2)c1)[C@@H](c1ccccn1)C1CC1 ZINC000216527445 241197633 /nfs/dbraw/zinc/19/76/33/241197633.db2.gz ANGMOLYBMBMQSX-GOSISDBHSA-N 1 2 332.407 3.695 50 0 EHAALO Cc1cc2[nH+]cn(C[C@@H](O)COCc3ccc(Cl)cc3)c2cc1C ZINC000021559653 212232225 /nfs/dbraw/zinc/23/22/25/212232225.db2.gz BMVGCJSHPHVKNH-QGZVFWFLSA-N 1 2 344.842 3.884 50 0 EHAALO O=C(Nc1cccc(Cl)c1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020437494 212128652 /nfs/dbraw/zinc/12/86/52/212128652.db2.gz QLUFKIDBSDFFTF-UHFFFAOYSA-N 1 2 347.821 3.829 50 0 EHAALO Cc1cccc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1C ZINC000020417857 212126325 /nfs/dbraw/zinc/12/63/25/212126325.db2.gz VTBCPYMCWOXMHR-UHFFFAOYSA-N 1 2 341.430 3.792 50 0 EHAALO Fc1ccc(-c2noc3c2C[N@H+](Cc2ccncc2)CC3)cc1F ZINC000020208734 212112758 /nfs/dbraw/zinc/11/27/58/212112758.db2.gz BMTKVYOUYFSIAM-UHFFFAOYSA-N 1 2 327.334 3.573 50 0 EHAALO Fc1ccc(-c2noc3c2C[N@@H+](Cc2ccncc2)CC3)cc1F ZINC000020208734 212112759 /nfs/dbraw/zinc/11/27/59/212112759.db2.gz BMTKVYOUYFSIAM-UHFFFAOYSA-N 1 2 327.334 3.573 50 0 EHAALO Cn1cc[nH+]c1C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000081315922 217382094 /nfs/dbraw/zinc/38/20/94/217382094.db2.gz LZNRSCADABDLMZ-AABGKKOBSA-N 1 2 345.446 3.624 50 0 EHAALO COc1ccc([C@H](NC(=O)c2ccc3[nH+]c(C)cn3c2)C2CC2)cc1 ZINC000082109292 217468990 /nfs/dbraw/zinc/46/89/90/217468990.db2.gz SOEONQYITNXYKR-LJQANCHMSA-N 1 2 335.407 3.532 50 0 EHAALO CC(C)c1[nH+]c2ccccc2n1C[C@@H](O)COC[C@@H]1CC=CCC1 ZINC000013228328 211538035 /nfs/dbraw/zinc/53/80/35/211538035.db2.gz FQWFPOQPUQWOHA-IAGOWNOFSA-N 1 2 328.456 3.894 50 0 EHAALO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000012317247 211344798 /nfs/dbraw/zinc/34/47/98/211344798.db2.gz AYRPWESYQGABES-INIZCTEOSA-N 1 2 325.456 3.802 50 0 EHAALO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)cc1 ZINC000012317247 211344799 /nfs/dbraw/zinc/34/47/99/211344799.db2.gz AYRPWESYQGABES-INIZCTEOSA-N 1 2 325.456 3.802 50 0 EHAALO CC(C)(C)c1ccc(C(=O)[C@H]2CCCN(Cc3[nH]cc[nH+]3)C2)cc1 ZINC000012317247 211344802 /nfs/dbraw/zinc/34/48/02/211344802.db2.gz AYRPWESYQGABES-INIZCTEOSA-N 1 2 325.456 3.802 50 0 EHAALO O=C(NCc1[nH]cc[nH+]1)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000092070165 218114397 /nfs/dbraw/zinc/11/43/97/218114397.db2.gz LUKPCLXZSBXKFT-UHFFFAOYSA-N 1 2 346.312 3.816 50 0 EHAALO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000010093304 211147713 /nfs/dbraw/zinc/14/77/13/211147713.db2.gz ZHTJZYSLNRVJKD-GFCCVEGCSA-N 1 2 332.494 3.855 50 0 EHAALO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000010093304 211147717 /nfs/dbraw/zinc/14/77/17/211147717.db2.gz ZHTJZYSLNRVJKD-GFCCVEGCSA-N 1 2 332.494 3.855 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000009157089 211046624 /nfs/dbraw/zinc/04/66/24/211046624.db2.gz IBWBJZDEJQMLGO-GOSISDBHSA-N 1 2 339.826 3.522 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C ZINC000009155886 211045670 /nfs/dbraw/zinc/04/56/70/211045670.db2.gz RBTMCNBGWATXAB-KBPBESRZSA-N 1 2 349.434 3.659 50 0 EHAALO O=C(CCn1cc[nH+]c1)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000095413188 218350962 /nfs/dbraw/zinc/35/09/62/218350962.db2.gz BBSITCYARIKSOW-UHFFFAOYSA-N 1 2 343.333 3.982 50 0 EHAALO Cc1ccc(N2CCOC2=O)cc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000095429363 218371594 /nfs/dbraw/zinc/37/15/94/218371594.db2.gz ZZPRYBMDRKYRTR-UHFFFAOYSA-N 1 2 348.406 3.749 50 0 EHAALO CCn1c(SCc2cn3cccc(C)c3[nH+]2)nnc1-c1ccco1 ZINC000007943067 210867393 /nfs/dbraw/zinc/86/73/93/210867393.db2.gz DLZSNIPUEYBWQY-UHFFFAOYSA-N 1 2 339.424 3.806 50 0 EHAALO C[C@@H](NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C)c1ccc(F)cc1 ZINC000241588334 258000828 /nfs/dbraw/zinc/00/08/28/258000828.db2.gz PCBJWMVJTGKHJO-CHWSQXEVSA-N 1 2 332.444 3.684 50 0 EHAALO C[C@@H](NC(=O)C[N@H+]1CCc2sccc2[C@H]1C)c1ccc(F)cc1 ZINC000241588334 258000829 /nfs/dbraw/zinc/00/08/29/258000829.db2.gz PCBJWMVJTGKHJO-CHWSQXEVSA-N 1 2 332.444 3.684 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc2nc(C)ccc2o1 ZINC000281918407 258013580 /nfs/dbraw/zinc/01/35/80/258013580.db2.gz VKLDISFNRAPLRT-HNNXBMFYSA-N 1 2 338.411 3.720 50 0 EHAALO C[C@@H](CC(=O)NCC1(c2ccccc2F)CCCC1)n1cc[nH+]c1 ZINC000299770930 258083500 /nfs/dbraw/zinc/08/35/00/258083500.db2.gz OBTYOBPIEUFVIG-HNNXBMFYSA-N 1 2 329.419 3.602 50 0 EHAALO Cc1cc(C)cc(C2(C(=O)NC3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000053189082 132186834 /nfs/dbraw/zinc/18/68/34/132186834.db2.gz RYPYALHBZKLSDJ-UHFFFAOYSA-N 1 2 349.478 3.515 50 0 EHAALO C[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000035798774 132390726 /nfs/dbraw/zinc/39/07/26/132390726.db2.gz LUBFLVPZPQTENH-AWEZNQCLSA-N 1 2 348.368 3.943 50 0 EHAALO C[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000035798774 132390727 /nfs/dbraw/zinc/39/07/27/132390727.db2.gz LUBFLVPZPQTENH-AWEZNQCLSA-N 1 2 348.368 3.943 50 0 EHAALO COc1ccccc1[C@H](NC(=O)Nc1cc[nH+]cc1C)c1ccccn1 ZINC000122154142 222025288 /nfs/dbraw/zinc/02/52/88/222025288.db2.gz JTGPYDOUTXREAB-IBGZPJMESA-N 1 2 348.406 3.705 50 0 EHAALO c1coc(-c2nc(C[NH+](C[C@@H]3CCCO3)C[C@@H]3CCCO3)cs2)c1 ZINC000040120150 526560791 /nfs/dbraw/zinc/56/07/91/526560791.db2.gz NGDLDKBZQYELCM-HOTGVXAUSA-N 1 2 348.468 3.563 50 0 EHAALO CSc1ccsc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000071884552 563384628 /nfs/dbraw/zinc/38/46/28/563384628.db2.gz AYICWJRAXHJLBX-UHFFFAOYSA-N 1 2 347.509 3.785 50 0 EHAALO Cc1nc(Cn2cc[nH+]c2-c2cncc(Br)c2)sc1C ZINC000097371677 563595976 /nfs/dbraw/zinc/59/59/76/563595976.db2.gz BIOHIYBUZYUTGA-UHFFFAOYSA-N 1 2 349.257 3.829 50 0 EHAALO C[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)n1cc[nH+]c1 ZINC000071921778 563627197 /nfs/dbraw/zinc/62/71/97/563627197.db2.gz LVTVTMMREMPKGY-CABZTGNLSA-N 1 2 331.725 3.517 50 0 EHAALO Cc1cccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000012993952 563683051 /nfs/dbraw/zinc/68/30/51/563683051.db2.gz HEPVXWBSIJVWBM-KRWDZBQOSA-N 1 2 344.480 3.676 50 0 EHAALO Cc1cccc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000012993952 563683053 /nfs/dbraw/zinc/68/30/53/563683053.db2.gz HEPVXWBSIJVWBM-KRWDZBQOSA-N 1 2 344.480 3.676 50 0 EHAALO Cc1nc(C)c(-c2nnc(SCc3cn4ccccc4[nH+]3)o2)s1 ZINC000032752709 563724428 /nfs/dbraw/zinc/72/44/28/563724428.db2.gz QGGWHGXLFHQMLH-UHFFFAOYSA-N 1 2 343.437 3.750 50 0 EHAALO C[C@@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)[NH+]1CCCCC1 ZINC000014199283 563750073 /nfs/dbraw/zinc/75/00/73/563750073.db2.gz OMPAVDXCGUAYBX-NSHDSACASA-N 1 2 329.425 3.792 50 0 EHAALO CCCCNc1nnc(SCc2cn3cc(C)ccc3[nH+]2)s1 ZINC000032910549 563802364 /nfs/dbraw/zinc/80/23/64/563802364.db2.gz UKYOLIMMMXZTGC-UHFFFAOYSA-N 1 2 333.486 3.999 50 0 EHAALO CCc1c(C)scc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016604720 563817123 /nfs/dbraw/zinc/81/71/23/563817123.db2.gz HRQLMYRDGGKMQS-UHFFFAOYSA-N 1 2 328.481 3.577 50 0 EHAALO Cn1c2ccccc2nc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019923764 563857250 /nfs/dbraw/zinc/85/72/50/563857250.db2.gz DGGCMRLNBJCGGO-UHFFFAOYSA-N 1 2 340.858 3.549 50 0 EHAALO CCOc1ccc2c(c1)C[N@H+]([C@H](C)c1nnc(CC(C)C)o1)CC2 ZINC000069842936 563857603 /nfs/dbraw/zinc/85/76/03/563857603.db2.gz JEDPORHDQMMORU-CQSZACIVSA-N 1 2 329.444 3.786 50 0 EHAALO CCOc1ccc2c(c1)C[N@@H+]([C@H](C)c1nnc(CC(C)C)o1)CC2 ZINC000069842936 563857606 /nfs/dbraw/zinc/85/76/06/563857606.db2.gz JEDPORHDQMMORU-CQSZACIVSA-N 1 2 329.444 3.786 50 0 EHAALO CCCCc1cc(=O)oc2c1ccc1c2CN(c2cccc[nH+]2)CO1 ZINC000020647130 563859696 /nfs/dbraw/zinc/85/96/96/563859696.db2.gz GSJFXXCRYQTCMY-UHFFFAOYSA-N 1 2 336.391 3.887 50 0 EHAALO O=C(Cn1cc[nH+]c1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000010809738 563861881 /nfs/dbraw/zinc/86/18/81/563861881.db2.gz MHAKMDLMESCWGA-KRWDZBQOSA-N 1 2 335.432 3.763 50 0 EHAALO O=c1[nH]c(C[NH2+][C@@H](c2cccs2)c2ccccc2)nc2ccccc12 ZINC000024001863 563868162 /nfs/dbraw/zinc/86/81/62/563868162.db2.gz RYDJBFDFOCLXHA-LJQANCHMSA-N 1 2 347.443 3.864 50 0 EHAALO c1cc2ncnc(N3CCC(c4[nH]c5ccccc5[nH+]4)CC3)c2s1 ZINC000024902746 563877322 /nfs/dbraw/zinc/87/73/22/563877322.db2.gz AYFOGARVBOLIBN-UHFFFAOYSA-N 1 2 335.436 3.952 50 0 EHAALO c1ccc2[nH+]c([C@@H]3CCCN(c4ncnc5ccccc54)C3)[nH]c2c1 ZINC000025005761 563879729 /nfs/dbraw/zinc/87/97/29/563879729.db2.gz NQTMYOPKRXVETE-CQSZACIVSA-N 1 2 329.407 3.890 50 0 EHAALO O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000028788003 563904110 /nfs/dbraw/zinc/90/41/10/563904110.db2.gz GESDUJFBAIBEGD-GOSISDBHSA-N 1 2 329.403 3.990 50 0 EHAALO O=C1c2cccc3cccc(c23)N1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000028788003 563904112 /nfs/dbraw/zinc/90/41/12/563904112.db2.gz GESDUJFBAIBEGD-GOSISDBHSA-N 1 2 329.403 3.990 50 0 EHAALO COCCOc1cc[nH+]c(CSc2nc3ccccc3[nH]2)c1C ZINC000029477688 563906585 /nfs/dbraw/zinc/90/65/85/563906585.db2.gz OMCUCKUXYIWGMU-UHFFFAOYSA-N 1 2 329.425 3.584 50 0 EHAALO c1ccc([C@H](CNc2nc3ccccc3s2)[NH+]2CCOCC2)cc1 ZINC000029525985 563907229 /nfs/dbraw/zinc/90/72/29/563907229.db2.gz CFYFAVJFJJWRGC-KRWDZBQOSA-N 1 2 339.464 3.782 50 0 EHAALO Cc1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(C)n1C1CC1 ZINC000030218325 563909579 /nfs/dbraw/zinc/90/95/79/563909579.db2.gz CPRVTHIHAIRBPM-UHFFFAOYSA-N 1 2 348.450 3.615 50 0 EHAALO COc1ccc(CNc2nc(N3CCCC3)c3ccccc3[nH+]2)cc1 ZINC000041148403 563924365 /nfs/dbraw/zinc/92/43/65/563924365.db2.gz VLVJMRYHWIXRHC-UHFFFAOYSA-N 1 2 334.423 3.851 50 0 EHAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000043210856 563925429 /nfs/dbraw/zinc/92/54/29/563925429.db2.gz APRSRMBARBLUHV-UHFFFAOYSA-N 1 2 349.352 3.769 50 0 EHAALO Cc1cccc([C@H]2CCCN2C(=O)c2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000058401689 563944890 /nfs/dbraw/zinc/94/48/90/563944890.db2.gz ODGLGSXWGYLFOG-GOSISDBHSA-N 1 2 332.407 3.553 50 0 EHAALO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000059374725 563948794 /nfs/dbraw/zinc/94/87/94/563948794.db2.gz ZYTHVGGAHFZAFR-CYBMUJFWSA-N 1 2 325.412 3.603 50 0 EHAALO C[C@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccs1 ZINC000096432086 563952737 /nfs/dbraw/zinc/95/27/37/563952737.db2.gz MPGZRFMHFOILEY-KBPBESRZSA-N 1 2 325.437 3.915 50 0 EHAALO COc1c(Cl)cccc1NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000096434297 563953030 /nfs/dbraw/zinc/95/30/30/563953030.db2.gz YYFACTCKFLVRIY-UHFFFAOYSA-N 1 2 336.823 3.523 50 0 EHAALO O=C(c1ccc(-c2ccccc2Cl)o1)N1CC[C@H](n2cc[nH+]c2)C1 ZINC000065460662 563961103 /nfs/dbraw/zinc/96/11/03/563961103.db2.gz BUTZXIMHVWPNNY-ZDUSSCGKSA-N 1 2 341.798 3.884 50 0 EHAALO CC(C)(C)c1cc(C[NH+]2CCN(c3nccc4ccccc43)CC2)[nH]n1 ZINC000067847345 563962878 /nfs/dbraw/zinc/96/28/78/563962878.db2.gz KYIFZSPEQNMEEJ-UHFFFAOYSA-N 1 2 349.482 3.578 50 0 EHAALO Cc1cc(C)n(C[C@@H](C)n2cc[nH+]c2-c2ccc3nsnc3c2)n1 ZINC000071524056 563964527 /nfs/dbraw/zinc/96/45/27/563964527.db2.gz MAJNUGMRQUOKLH-CYBMUJFWSA-N 1 2 338.440 3.629 50 0 EHAALO Cc1nn(-c2ccc(F)cc2)c(C)c1Cn1cc[nH+]c1-c1cccnc1 ZINC000071765410 563965524 /nfs/dbraw/zinc/96/55/24/563965524.db2.gz ROUFCTLWUAWJBA-UHFFFAOYSA-N 1 2 347.397 3.935 50 0 EHAALO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c(Cl)c1Cl ZINC000071771810 563965660 /nfs/dbraw/zinc/96/56/60/563965660.db2.gz GTYCAGRMZARSJR-CQSZACIVSA-N 1 2 341.282 3.889 50 0 EHAALO Cc1ccc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c(Cl)c1Cl ZINC000071771810 563965661 /nfs/dbraw/zinc/96/56/61/563965661.db2.gz GTYCAGRMZARSJR-CQSZACIVSA-N 1 2 341.282 3.889 50 0 EHAALO O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCCCC[C@H]1c1ccco1 ZINC000076510451 563968059 /nfs/dbraw/zinc/96/80/59/563968059.db2.gz KNQTYCZKLULYQC-INIZCTEOSA-N 1 2 339.395 3.875 50 0 EHAALO Cc1ccc(-n2cnnc2)cc1-n1cc[nH+]c1[C@H](C)c1ccccc1 ZINC000077457901 563969822 /nfs/dbraw/zinc/96/98/22/563969822.db2.gz OKUDEVIXQVRRTG-MRXNPFEDSA-N 1 2 329.407 3.913 50 0 EHAALO O=C(Cc1cccc(Cl)c1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000082108766 563972366 /nfs/dbraw/zinc/97/23/66/563972366.db2.gz KGAZTZOLGFDPGV-QGZVFWFLSA-N 1 2 331.847 3.550 50 0 EHAALO CCN(CC)C(=O)N[C@@H](Cc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000585142207 563973429 /nfs/dbraw/zinc/97/34/29/563973429.db2.gz RMKNFENSOQAKFX-AWEZNQCLSA-N 1 2 336.386 3.613 50 0 EHAALO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2Cl)C1 ZINC000090635901 563974962 /nfs/dbraw/zinc/97/49/62/563974962.db2.gz UQFCGECXOICQHY-GFCCVEGCSA-N 1 2 331.243 3.875 50 0 EHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)CCc2ccccc2F)CC1 ZINC000091289256 563975203 /nfs/dbraw/zinc/97/52/03/563975203.db2.gz NRTANUPDBASJPO-UHFFFAOYSA-N 1 2 343.446 3.942 50 0 EHAALO Cc1[nH]ccc1C(=O)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095497835 563977040 /nfs/dbraw/zinc/97/70/40/563977040.db2.gz FXWSHRKJMCEFBE-UHFFFAOYSA-N 1 2 348.450 3.588 50 0 EHAALO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc(Cl)ccc1F ZINC000057755204 563987418 /nfs/dbraw/zinc/98/74/18/563987418.db2.gz GQLHMXYVTZHUJO-UHFFFAOYSA-N 1 2 349.715 3.510 50 0 EHAALO Cc1csc([C@H]2C[N@H+](Cc3ccc(F)c4cccnc34)CCO2)n1 ZINC000065463476 563998243 /nfs/dbraw/zinc/99/82/43/563998243.db2.gz DOHKOUWWMKRCDP-MRXNPFEDSA-N 1 2 343.427 3.712 50 0 EHAALO Cc1csc([C@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)CCO2)n1 ZINC000065463476 563998244 /nfs/dbraw/zinc/99/82/44/563998244.db2.gz DOHKOUWWMKRCDP-MRXNPFEDSA-N 1 2 343.427 3.712 50 0 EHAALO O=C(CCc1c[nH+]c[nH]1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000189053627 564014559 /nfs/dbraw/zinc/01/45/59/564014559.db2.gz DRFIUPFGXOZZAZ-IBGZPJMESA-N 1 2 339.826 3.902 50 0 EHAALO O=C(CCc1c[nH]c[nH+]1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000189053627 564014560 /nfs/dbraw/zinc/01/45/60/564014560.db2.gz DRFIUPFGXOZZAZ-IBGZPJMESA-N 1 2 339.826 3.902 50 0 EHAALO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cncnc1-c1ccccc1 ZINC000341149529 564020935 /nfs/dbraw/zinc/02/09/35/564020935.db2.gz TXOBTEMMCGCBOR-UHFFFAOYSA-N 1 2 341.374 3.582 50 0 EHAALO COc1ccc([C@H]2CCCCCN2C(=O)[C@@H](C)n2cc[nH+]c2)cc1 ZINC000047918487 564029770 /nfs/dbraw/zinc/02/97/70/564029770.db2.gz NZFFSVFCQVKEIZ-CRAIPNDOSA-N 1 2 327.428 3.597 50 0 EHAALO Cc1cc2[nH+]cn(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)c2cc1C ZINC000225507376 564047364 /nfs/dbraw/zinc/04/73/64/564047364.db2.gz YLBGPFDEBUKVPX-FUHWJXTLSA-N 1 2 325.456 3.834 50 0 EHAALO Cc1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000012550033 564059063 /nfs/dbraw/zinc/05/90/63/564059063.db2.gz HHRIVPHGLQWKBE-KRWDZBQOSA-N 1 2 338.386 3.779 50 0 EHAALO CCCc1[nH+]c2ccccc2n1CC(=O)N1CCc2ccccc2C1 ZINC000012624739 564061048 /nfs/dbraw/zinc/06/10/48/564061048.db2.gz FFVJASFBQIJFAA-UHFFFAOYSA-N 1 2 333.435 3.574 50 0 EHAALO Cc1cc([C@@H](C)NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc(C)c1F ZINC000084086122 564066287 /nfs/dbraw/zinc/06/62/87/564066287.db2.gz YMAPXNITSQEHQL-OAHLLOKOSA-N 1 2 344.434 3.747 50 0 EHAALO Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000084148731 564066993 /nfs/dbraw/zinc/06/69/93/564066993.db2.gz GBCITEVTVQYJNI-PKOBYXMFSA-N 1 2 340.471 3.764 50 0 EHAALO Cc1cccc(C)c1OCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000084225314 564067446 /nfs/dbraw/zinc/06/74/46/564067446.db2.gz JYCCVGBDXHRJTO-UHFFFAOYSA-N 1 2 335.407 3.721 50 0 EHAALO O=C(CC1CCCC1)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000084582011 564068809 /nfs/dbraw/zinc/06/88/09/564068809.db2.gz YIMUPZDDWVHAQT-UHFFFAOYSA-N 1 2 349.478 3.841 50 0 EHAALO Cc1[nH+]cc(NC(=O)C2CC2)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032508785 564072270 /nfs/dbraw/zinc/07/22/70/564072270.db2.gz IJTHQKASGAHYDG-UHFFFAOYSA-N 1 2 338.436 3.961 50 0 EHAALO O=C(NCc1cccs1)Nc1ccc(-c2c[nH+]c3n2CCC3)cc1 ZINC000085556862 564073954 /nfs/dbraw/zinc/07/39/54/564073954.db2.gz XLOQRXWZZQPAKJ-UHFFFAOYSA-N 1 2 338.436 3.880 50 0 EHAALO CC(C)c1ccc(S(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000075128261 564080489 /nfs/dbraw/zinc/08/04/89/564080489.db2.gz IUVDIIDHIKWDDX-UHFFFAOYSA-N 1 2 346.374 3.543 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000575616315 564083473 /nfs/dbraw/zinc/08/34/73/564083473.db2.gz ISSMIFBNNUYPCI-SFHVURJKSA-N 1 2 345.446 3.850 50 0 EHAALO Cc1ccc(C(=O)N2CC[C@@H](n3c(C)[nH+]c4ccccc43)C2)s1 ZINC000575618211 564083624 /nfs/dbraw/zinc/08/36/24/564083624.db2.gz UDPYZKORUBEZIQ-CQSZACIVSA-N 1 2 325.437 3.802 50 0 EHAALO CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCCn2cc[nH+]c2)o1 ZINC000089286598 564089198 /nfs/dbraw/zinc/08/91/98/564089198.db2.gz AEEKSRVODCIVEU-RDJZCZTQSA-N 1 2 329.444 3.819 50 0 EHAALO Clc1cc(C[NH+]2CCN(c3ccccc3)CC2)c2c(c1)COCO2 ZINC000054313246 564093001 /nfs/dbraw/zinc/09/30/01/564093001.db2.gz SWNPDAHTEKVXPD-UHFFFAOYSA-N 1 2 344.842 3.529 50 0 EHAALO O=C(Nc1ccccc1)C1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000267341274 564093109 /nfs/dbraw/zinc/09/31/09/564093109.db2.gz DOCHSIWBBXAPPE-UHFFFAOYSA-N 1 2 349.356 3.956 50 0 EHAALO Cc1c[nH]c(CN(C)C(=O)N[C@H](C)c2ccccc2C(F)(F)F)[nH+]1 ZINC000426548498 564094114 /nfs/dbraw/zinc/09/41/14/564094114.db2.gz KQVRWBXPHUBEJN-LLVKDONJSA-N 1 2 340.349 3.640 50 0 EHAALO C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[NH+]1CCCC1 ZINC000006648060 564095300 /nfs/dbraw/zinc/09/53/00/564095300.db2.gz JVXPVILPLSWRKG-LBPRGKRZSA-N 1 2 325.437 3.808 50 0 EHAALO CCN(CC)C(=O)c1c(C)oc2c1C[N@H+](Cc1cccc(F)c1)CC2 ZINC000065292006 564104680 /nfs/dbraw/zinc/10/46/80/564104680.db2.gz FNMSETCEYUVHMX-UHFFFAOYSA-N 1 2 344.430 3.767 50 0 EHAALO CCN(CC)C(=O)c1c(C)oc2c1C[N@@H+](Cc1cccc(F)c1)CC2 ZINC000065292006 564104681 /nfs/dbraw/zinc/10/46/81/564104681.db2.gz FNMSETCEYUVHMX-UHFFFAOYSA-N 1 2 344.430 3.767 50 0 EHAALO Cc1cccn2cc(CC(=O)N3CCC[C@@H]3c3cccs3)[nH+]c12 ZINC000065512930 564106732 /nfs/dbraw/zinc/10/67/32/564106732.db2.gz DWHFSIABQMYEFR-OAHLLOKOSA-N 1 2 325.437 3.610 50 0 EHAALO CC(C)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c(O)c1 ZINC000065737822 564110313 /nfs/dbraw/zinc/11/03/13/564110313.db2.gz IMPZSPYUSHEVIB-UHFFFAOYSA-N 1 2 335.407 3.631 50 0 EHAALO Cc1cnc([C@H]([NH2+]Cc2nccn2Cc2ccccc2)C2CC2)s1 ZINC000089702400 564113184 /nfs/dbraw/zinc/11/31/84/564113184.db2.gz VNPPHGPJPNDDAK-GOSISDBHSA-N 1 2 338.480 3.937 50 0 EHAALO CC[C@H](C)[C@H](NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000095987485 564143990 /nfs/dbraw/zinc/14/39/90/564143990.db2.gz SPPHWYFBTNEXLE-YJBOKZPZSA-N 1 2 343.471 3.718 50 0 EHAALO CCC[C@H]([NH2+]Cc1ccc(Br)o1)c1nnc2ccccn21 ZINC000225636211 564150042 /nfs/dbraw/zinc/15/00/42/564150042.db2.gz YDCCGZXCTJTRCB-LBPRGKRZSA-N 1 2 349.232 3.716 50 0 EHAALO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000008320349 564164295 /nfs/dbraw/zinc/16/42/95/564164295.db2.gz JDKHPOKVIIREBL-INIZCTEOSA-N 1 2 328.437 3.726 50 0 EHAALO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC000008320349 564164296 /nfs/dbraw/zinc/16/42/96/564164296.db2.gz JDKHPOKVIIREBL-INIZCTEOSA-N 1 2 328.437 3.726 50 0 EHAALO Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000069435416 564169452 /nfs/dbraw/zinc/16/94/52/564169452.db2.gz PIFUDKUCARVCDW-SNVBAGLBSA-N 1 2 344.802 3.873 50 0 EHAALO Cc1cccn2cc(CC(=O)N3CCCCC[C@H]3c3ccncc3)[nH+]c12 ZINC000069527791 564170174 /nfs/dbraw/zinc/17/01/74/564170174.db2.gz VGTVWZGOZDUQEI-IBGZPJMESA-N 1 2 348.450 3.724 50 0 EHAALO CCCc1noc([C@@H](C)[NH+]2CCC(C(=O)c3ccccc3)CC2)n1 ZINC000069586328 564170715 /nfs/dbraw/zinc/17/07/15/564170715.db2.gz XMBFHYIAFPRAHE-CQSZACIVSA-N 1 2 327.428 3.678 50 0 EHAALO Cn1c[nH+]c2c1CCN(c1ncnc3scc(-c4ccccc4)c31)C2 ZINC000069598073 564170866 /nfs/dbraw/zinc/17/08/66/564170866.db2.gz HCBGJUOELLYPMD-UHFFFAOYSA-N 1 2 347.447 3.655 50 0 EHAALO COc1ccccc1-c1nc(CCn2c[nH+]c3cc(C)c(C)cc32)no1 ZINC000041146253 564173480 /nfs/dbraw/zinc/17/34/80/564173480.db2.gz NYHPYOCAOOJRSM-UHFFFAOYSA-N 1 2 348.406 3.954 50 0 EHAALO Cc1ccc(N2CCC([NH2+]Cc3noc(C(C)C)n3)CC2)cc1Cl ZINC000822285035 1130981234 /nfs/dbraw/zinc/98/12/34/1130981234.db2.gz JHTAVLFICKTJHE-UHFFFAOYSA-N 1 2 348.878 3.913 50 0 EHAALO CCCn1c(C)c[nH+]c1C1CN(C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000581812643 1132365912 /nfs/dbraw/zinc/36/59/12/1132365912.db2.gz DXRXGRYWXCWRDL-UHFFFAOYSA-N 1 2 326.444 3.850 50 0 EHAALO O=C(/C=C\c1nc2ccccc2o1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047533771 1133895921 /nfs/dbraw/zinc/89/59/21/1133895921.db2.gz ARRXCHNTTAYWRX-HJWRWDBZSA-N 1 2 330.347 3.665 50 0 EHAALO CCOCc1ccccc1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051641805 214099261 /nfs/dbraw/zinc/09/92/61/214099261.db2.gz UGMLXXQAVBSOMP-UHFFFAOYSA-N 1 2 343.427 3.565 50 0 EHAALO CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)no1 ZINC000052611750 214136261 /nfs/dbraw/zinc/13/62/61/214136261.db2.gz PMRQMSPQNPYFMQ-CYBMUJFWSA-N 1 2 340.427 3.888 50 0 EHAALO CC(C)(C)c1nc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)no1 ZINC000052611750 214136264 /nfs/dbraw/zinc/13/62/64/214136264.db2.gz PMRQMSPQNPYFMQ-CYBMUJFWSA-N 1 2 340.427 3.888 50 0 EHAALO C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)CCc1cn2ccccc2[nH+]1 ZINC000097657145 219044842 /nfs/dbraw/zinc/04/48/42/219044842.db2.gz VSABLBILNYZNIW-HNNXBMFYSA-N 1 2 346.434 3.968 50 0 EHAALO Cc1ccc(CC(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)cn1 ZINC000053547702 214187660 /nfs/dbraw/zinc/18/76/60/214187660.db2.gz DVHHFEHLWHHMSL-UHFFFAOYSA-N 1 2 346.434 3.771 50 0 EHAALO O=c1c(C[NH+]2CCSCC2)coc2c(Cl)cc(Cl)cc12 ZINC000055292342 214302804 /nfs/dbraw/zinc/30/28/04/214302804.db2.gz BODCRTLDMYOOOC-UHFFFAOYSA-N 1 2 330.236 3.649 50 0 EHAALO COc1cc[nH+]cc1NC(=O)[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000098013899 219068960 /nfs/dbraw/zinc/06/89/60/219068960.db2.gz RXJOYOFOLXDJPT-YJBOKZPZSA-N 1 2 326.396 3.505 50 0 EHAALO Cc1ccc(CN(C(=O)NCc2cc[nH+]c(N(C)C)c2)C(C)C)s1 ZINC000065594833 214973761 /nfs/dbraw/zinc/97/37/61/214973761.db2.gz GDLPGXPPYACFNL-UHFFFAOYSA-N 1 2 346.500 3.638 50 0 EHAALO COc1ccc(-n2cc[nH+]c2-c2ccc(NC(C)=O)cc2)cc1OC ZINC000067654295 215175029 /nfs/dbraw/zinc/17/50/29/215175029.db2.gz YKTWGLSUCVKGDZ-UHFFFAOYSA-N 1 2 337.379 3.515 50 0 EHAALO CN(C)c1[nH+]cccc1CNc1nc(-c2ccccc2)nc2c1CCC2 ZINC000067655025 215175509 /nfs/dbraw/zinc/17/55/09/215175509.db2.gz NQNUJOLDGJAFFA-UHFFFAOYSA-N 1 2 345.450 3.705 50 0 EHAALO COc1cc(-c2[nH+]ccn2Cc2ccsc2)cc(OC)c1OC ZINC000067769892 215208195 /nfs/dbraw/zinc/20/81/95/215208195.db2.gz DONJGDFMHTVDIT-UHFFFAOYSA-N 1 2 330.409 3.686 50 0 EHAALO CCC1(CNC(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)CCC1 ZINC000067973828 215264174 /nfs/dbraw/zinc/26/41/74/215264174.db2.gz PYTWUEVCFKEKNO-UHFFFAOYSA-N 1 2 341.455 3.617 50 0 EHAALO CCC1(CNC(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)CCC1 ZINC000067973828 215264177 /nfs/dbraw/zinc/26/41/77/215264177.db2.gz PYTWUEVCFKEKNO-UHFFFAOYSA-N 1 2 341.455 3.617 50 0 EHAALO Cc1[nH]c2ccccc2c1C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000068913929 215345002 /nfs/dbraw/zinc/34/50/02/215345002.db2.gz YLHUIQFNUSESMV-UHFFFAOYSA-N 1 2 348.450 3.792 50 0 EHAALO COc1ccc(-c2nnc(C[NH2+][C@H](C)c3ccccc3F)o2)cc1 ZINC000040477281 213313001 /nfs/dbraw/zinc/31/30/01/213313001.db2.gz SQGUQFYONBPOBL-GFCCVEGCSA-N 1 2 327.359 3.735 50 0 EHAALO C[C@H](NC(=O)NC1CCC(C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040024089 213251631 /nfs/dbraw/zinc/25/16/31/213251631.db2.gz VKSASZMYAVBEOO-CKDBGZEDSA-N 1 2 326.444 3.811 50 0 EHAALO O=c1nc(C[NH+]2CCCC2)[nH]c2scc(-c3cccc(Cl)c3)c21 ZINC000036204053 213077216 /nfs/dbraw/zinc/07/72/16/213077216.db2.gz XFEOIQXYYHGGJZ-UHFFFAOYSA-N 1 2 345.855 3.901 50 0 EHAALO Cc1ccc2[nH+]c(CN3CCC[C@@H]3c3nc4cc(F)ccc4[nH]3)cn2c1 ZINC000072124249 216016685 /nfs/dbraw/zinc/01/66/85/216016685.db2.gz ZMRXSXNQJFQPRR-GOSISDBHSA-N 1 2 349.413 3.995 50 0 EHAALO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccccc3)no2)cn1 ZINC000072134444 216023215 /nfs/dbraw/zinc/02/32/15/216023215.db2.gz MVWATRITSRXOFG-KRWDZBQOSA-N 1 2 349.438 3.535 50 0 EHAALO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccccc3)no2)cn1 ZINC000072134444 216023219 /nfs/dbraw/zinc/02/32/19/216023219.db2.gz MVWATRITSRXOFG-KRWDZBQOSA-N 1 2 349.438 3.535 50 0 EHAALO Cc1ccccc1CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000028683677 212631197 /nfs/dbraw/zinc/63/11/97/212631197.db2.gz GXSKCWFCLQXQPH-CQSZACIVSA-N 1 2 343.496 3.865 50 0 EHAALO Cc1ccccc1CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000028683677 212631199 /nfs/dbraw/zinc/63/11/99/212631199.db2.gz GXSKCWFCLQXQPH-CQSZACIVSA-N 1 2 343.496 3.865 50 0 EHAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2Cc2ccc3c[nH]nc3c2)o1 ZINC000129926563 223104273 /nfs/dbraw/zinc/10/42/73/223104273.db2.gz VTESGMKWDUJDBQ-IBGZPJMESA-N 1 2 345.406 3.554 50 0 EHAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2Cc2ccc3c[nH]nc3c2)o1 ZINC000129926563 223104275 /nfs/dbraw/zinc/10/42/75/223104275.db2.gz VTESGMKWDUJDBQ-IBGZPJMESA-N 1 2 345.406 3.554 50 0 EHAALO Fc1ccc(-c2nnc(C[NH+]3CCC(C(F)(F)F)CC3)o2)cc1 ZINC000072802041 216308661 /nfs/dbraw/zinc/30/86/61/216308661.db2.gz AGQYMQLTQRNRJT-UHFFFAOYSA-N 1 2 329.297 3.650 50 0 EHAALO Cc1ccccc1NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000023846723 212395952 /nfs/dbraw/zinc/39/59/52/212395952.db2.gz WVLREJRDHCLPMQ-UHFFFAOYSA-N 1 2 331.419 3.783 50 0 EHAALO Cc1ccccc1NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000023846723 212395954 /nfs/dbraw/zinc/39/59/54/212395954.db2.gz WVLREJRDHCLPMQ-UHFFFAOYSA-N 1 2 331.419 3.783 50 0 EHAALO Cc1nn(C)c(C)c1C[N@@H+](Cc1nc(-c2cccs2)no1)C(C)C ZINC000023339794 212368762 /nfs/dbraw/zinc/36/87/62/212368762.db2.gz NPWFZNPFFJQPCJ-UHFFFAOYSA-N 1 2 345.472 3.559 50 0 EHAALO Cc1nn(C)c(C)c1C[N@H+](Cc1nc(-c2cccs2)no1)C(C)C ZINC000023339794 212368765 /nfs/dbraw/zinc/36/87/65/212368765.db2.gz NPWFZNPFFJQPCJ-UHFFFAOYSA-N 1 2 345.472 3.559 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@@H](c1cccc(C)c1)[NH+]1CCCCC1)S2 ZINC000022626011 212313571 /nfs/dbraw/zinc/31/35/71/212313571.db2.gz ODBDIKFRGZJOAH-OAHLLOKOSA-N 1 2 342.468 3.689 50 0 EHAALO Cc1nc(/C=C/C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000022194838 212281448 /nfs/dbraw/zinc/28/14/48/212281448.db2.gz HGFFOERBNACSEF-LJLILKBBSA-N 1 2 338.436 3.528 50 0 EHAALO COc1ccccc1N1CC[N@H+](Cc2csc(C(C)=O)c2)[C@H](C)C1 ZINC000215311081 241117520 /nfs/dbraw/zinc/11/75/20/241117520.db2.gz FPWORZSIZXCTGZ-CQSZACIVSA-N 1 2 344.480 3.670 50 0 EHAALO COc1ccccc1N1CC[N@@H+](Cc2csc(C(C)=O)c2)[C@H](C)C1 ZINC000215311081 241117523 /nfs/dbraw/zinc/11/75/23/241117523.db2.gz FPWORZSIZXCTGZ-CQSZACIVSA-N 1 2 344.480 3.670 50 0 EHAALO COc1ccccc1N1CC[N@H+](Cc2csc(C(C)=O)c2)[C@@H](C)C1 ZINC000215311129 241118209 /nfs/dbraw/zinc/11/82/09/241118209.db2.gz FPWORZSIZXCTGZ-AWEZNQCLSA-N 1 2 344.480 3.670 50 0 EHAALO COc1ccccc1N1CC[N@@H+](Cc2csc(C(C)=O)c2)[C@@H](C)C1 ZINC000215311129 241118212 /nfs/dbraw/zinc/11/82/12/241118212.db2.gz FPWORZSIZXCTGZ-AWEZNQCLSA-N 1 2 344.480 3.670 50 0 EHAALO COc1c(Cl)cc(Cl)cc1C[N@H+](Cc1cnn(C)c1)C1CC1 ZINC000216333681 241184580 /nfs/dbraw/zinc/18/45/80/241184580.db2.gz OPBSROQGKJSAST-UHFFFAOYSA-N 1 2 340.254 3.900 50 0 EHAALO COc1c(Cl)cc(Cl)cc1C[N@@H+](Cc1cnn(C)c1)C1CC1 ZINC000216333681 241184585 /nfs/dbraw/zinc/18/45/85/241184585.db2.gz OPBSROQGKJSAST-UHFFFAOYSA-N 1 2 340.254 3.900 50 0 EHAALO Clc1cccc2c1CC[N@H+](Cc1cnc(N3CCCC3)s1)C2 ZINC000215671222 241137660 /nfs/dbraw/zinc/13/76/60/241137660.db2.gz ZVZKYKMNIQEIEF-UHFFFAOYSA-N 1 2 333.888 3.955 50 0 EHAALO Clc1cccc2c1CC[N@@H+](Cc1cnc(N3CCCC3)s1)C2 ZINC000215671222 241137664 /nfs/dbraw/zinc/13/76/64/241137664.db2.gz ZVZKYKMNIQEIEF-UHFFFAOYSA-N 1 2 333.888 3.955 50 0 EHAALO COc1cc2c(cc1OC)C[N@H+](Cc1csc(C(C)=O)c1)CC2 ZINC000219405581 241384046 /nfs/dbraw/zinc/38/40/46/241384046.db2.gz NSDSUQMPKGGVHM-UHFFFAOYSA-N 1 2 331.437 3.526 50 0 EHAALO COc1cc2c(cc1OC)C[N@@H+](Cc1csc(C(C)=O)c1)CC2 ZINC000219405581 241384053 /nfs/dbraw/zinc/38/40/53/241384053.db2.gz NSDSUQMPKGGVHM-UHFFFAOYSA-N 1 2 331.437 3.526 50 0 EHAALO Cc1ccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000020725582 212165924 /nfs/dbraw/zinc/16/59/24/212165924.db2.gz WVAXTNSGIRGLRR-VMPITWQZSA-N 1 2 348.490 3.785 50 0 EHAALO O=C(Nc1ccccc1F)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020668127 212160874 /nfs/dbraw/zinc/16/08/74/212160874.db2.gz HLFBKXWILNLFCV-UHFFFAOYSA-N 1 2 347.821 3.829 50 0 EHAALO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1C ZINC000020394741 212124630 /nfs/dbraw/zinc/12/46/30/212124630.db2.gz IITAGYVIHVIDOR-UHFFFAOYSA-N 1 2 341.430 3.792 50 0 EHAALO CCc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020213652 212111828 /nfs/dbraw/zinc/11/18/28/212111828.db2.gz DOFKNHRYQBKUPM-UHFFFAOYSA-N 1 2 341.430 3.738 50 0 EHAALO CCn1c2ccccc2n(Cc2ccccc2Br)c1=[NH2+] ZINC000019899323 212080638 /nfs/dbraw/zinc/08/06/38/212080638.db2.gz BWOKQXLHNSUBPO-UHFFFAOYSA-N 1 2 330.229 3.753 50 0 EHAALO Cn1cc[nH+]c1C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC000081315920 217381541 /nfs/dbraw/zinc/38/15/41/217381541.db2.gz LZNRSCADABDLMZ-AQNXPRMDSA-N 1 2 345.446 3.624 50 0 EHAALO CSCc1ccc(N2CCCN(c3ccc(F)cc3)CC2)[nH+]c1 ZINC000082127428 217472975 /nfs/dbraw/zinc/47/29/75/217472975.db2.gz HWPHYINZPLSONV-UHFFFAOYSA-N 1 2 331.460 3.800 50 0 EHAALO Cc1ccccc1/C=C/C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000012506973 211395055 /nfs/dbraw/zinc/39/50/55/211395055.db2.gz NGEXGXORUKVJBT-DRUFCSCSSA-N 1 2 331.419 3.648 50 0 EHAALO Cc1c2cccc(F)c2oc1C(=O)N(Cc1[nH+]ccn1C)C(C)C ZINC000011936627 211271800 /nfs/dbraw/zinc/27/18/00/211271800.db2.gz IKDKGWYLTWEQTA-UHFFFAOYSA-N 1 2 329.375 3.665 50 0 EHAALO CN(Cc1csc(-c2ccccc2)n1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000092077449 218116508 /nfs/dbraw/zinc/11/65/08/218116508.db2.gz XLNWKAIDSVHFAV-UHFFFAOYSA-N 1 2 348.431 3.730 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000092107900 218120529 /nfs/dbraw/zinc/12/05/29/218120529.db2.gz NIIHSIPHEDFMAI-CYBMUJFWSA-N 1 2 349.837 3.644 50 0 EHAALO Cc1ccc2[nH+]c(CSc3nncn3-c3ccccc3C)cn2c1 ZINC000010243070 211156088 /nfs/dbraw/zinc/15/60/88/211156088.db2.gz RBNZYCRYKRKYOR-UHFFFAOYSA-N 1 2 335.436 3.824 50 0 EHAALO COc1ccc(C[C@@H](C)N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000095398250 218330898 /nfs/dbraw/zinc/33/08/98/218330898.db2.gz GKRRPLCKYNTXIM-MRXNPFEDSA-N 1 2 349.434 3.584 50 0 EHAALO CCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc(NCC)[nH+]1 ZINC000005255906 210426466 /nfs/dbraw/zinc/42/64/66/210426466.db2.gz MDWFGAOBVVGHSE-UHFFFAOYSA-N 1 2 327.219 3.786 50 0 EHAALO Cc1ccc(NC(=O)C[NH+]2CCCCC2)c(C(=O)c2ccccc2)c1 ZINC000004837397 210293665 /nfs/dbraw/zinc/29/36/65/210293665.db2.gz LJKYMKQRGOVUPY-UHFFFAOYSA-N 1 2 336.435 3.650 50 0 EHAALO Cc1nc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cc[nH+]1 ZINC000291634782 258012103 /nfs/dbraw/zinc/01/21/03/258012103.db2.gz ASBIKGMNHLFGPJ-NHYWBVRUSA-N 1 2 337.345 3.770 50 0 EHAALO CCCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000055060985 258061075 /nfs/dbraw/zinc/06/10/75/258061075.db2.gz YRNIPMHVLMQSPQ-UHFFFAOYSA-N 1 2 345.874 3.606 50 0 EHAALO CCCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000055060985 258061077 /nfs/dbraw/zinc/06/10/77/258061077.db2.gz YRNIPMHVLMQSPQ-UHFFFAOYSA-N 1 2 345.874 3.606 50 0 EHAALO Cc1cc2[nH]c(CCC(=O)NCCCOC3CCCC3)[nH+]c2cc1C ZINC000299759049 258076904 /nfs/dbraw/zinc/07/69/04/258076904.db2.gz GZHUOMINLQWLKA-UHFFFAOYSA-N 1 2 343.471 3.578 50 0 EHAALO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2cnc(-c3ccccn3)nc2)no1 ZINC000215215162 535370318 /nfs/dbraw/zinc/37/03/18/535370318.db2.gz ZTMYZDQEUMRWPT-GOSISDBHSA-N 1 2 349.438 3.987 50 0 EHAALO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2cnc(-c3ccccn3)nc2)no1 ZINC000215215162 535370320 /nfs/dbraw/zinc/37/03/20/535370320.db2.gz ZTMYZDQEUMRWPT-GOSISDBHSA-N 1 2 349.438 3.987 50 0 EHAALO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)COCc1cccs1 ZINC000002630959 564151456 /nfs/dbraw/zinc/15/14/56/564151456.db2.gz JDEFWHOCXYAMLL-LBPRGKRZSA-N 1 2 343.851 3.550 50 0 EHAALO CC(C)(C)c1cnc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)o1 ZINC000071886829 563387659 /nfs/dbraw/zinc/38/76/59/563387659.db2.gz GTNIRMQCMUFKAD-UHFFFAOYSA-N 1 2 332.419 3.907 50 0 EHAALO CCCn1c2ccccc2[nH+]c1N1CCC(C(=O)N[C@H](C)CC)CC1 ZINC000034906588 563481262 /nfs/dbraw/zinc/48/12/62/563481262.db2.gz MISQOZDEUHNNKP-OAHLLOKOSA-N 1 2 342.487 3.577 50 0 EHAALO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014110441 563741696 /nfs/dbraw/zinc/74/16/96/563741696.db2.gz VBTFAWOHOIVUQH-INIZCTEOSA-N 1 2 336.435 3.609 50 0 EHAALO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H]1COc2ccccc2O1 ZINC000015447073 563784733 /nfs/dbraw/zinc/78/47/33/563784733.db2.gz CDYRZUOGDWSMDX-CYBMUJFWSA-N 1 2 326.421 3.568 50 0 EHAALO C[N@H+](Cc1nc2ccccc2s1)C[C@@H]1COc2ccccc2O1 ZINC000015447073 563784734 /nfs/dbraw/zinc/78/47/34/563784734.db2.gz CDYRZUOGDWSMDX-CYBMUJFWSA-N 1 2 326.421 3.568 50 0 EHAALO O=C(NCCc1c[nH+]c[nH]1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000015919412 563799671 /nfs/dbraw/zinc/79/96/71/563799671.db2.gz XECSGZSYVINGGV-UHFFFAOYSA-N 1 2 342.402 3.597 50 0 EHAALO O=C(NCCc1c[nH]c[nH+]1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000015919412 563799674 /nfs/dbraw/zinc/79/96/74/563799674.db2.gz XECSGZSYVINGGV-UHFFFAOYSA-N 1 2 342.402 3.597 50 0 EHAALO CC[N@H+](Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016555055 563814794 /nfs/dbraw/zinc/81/47/94/563814794.db2.gz UMJPQWAIESZMKT-UHFFFAOYSA-N 1 2 327.815 3.599 50 0 EHAALO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016555055 563814796 /nfs/dbraw/zinc/81/47/96/563814796.db2.gz UMJPQWAIESZMKT-UHFFFAOYSA-N 1 2 327.815 3.599 50 0 EHAALO O=C(c1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000016605727 563817272 /nfs/dbraw/zinc/81/72/72/563817272.db2.gz FZCBHRKIZLLHFK-UHFFFAOYSA-N 1 2 339.222 3.544 50 0 EHAALO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccc(F)c(F)c1 ZINC000017046806 563830251 /nfs/dbraw/zinc/83/02/51/563830251.db2.gz BTBHITVSABFGGU-SNVBAGLBSA-N 1 2 333.363 3.732 50 0 EHAALO C[N@@H+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)[C@@H](c2ccccc2)C1 ZINC000022892714 563865293 /nfs/dbraw/zinc/86/52/93/563865293.db2.gz VMHZRVHIKXWPAA-HXUWFJFHSA-N 1 2 332.451 3.565 50 0 EHAALO C[N@H+]1CCN(Cc2cnc(-c3ccccc3)[nH]2)[C@@H](c2ccccc2)C1 ZINC000022892714 563865296 /nfs/dbraw/zinc/86/52/96/563865296.db2.gz VMHZRVHIKXWPAA-HXUWFJFHSA-N 1 2 332.451 3.565 50 0 EHAALO Cn1c(Cc2ccccc2)nn(C[N@H+](C2CC2)C2CCCC2)c1=S ZINC000024656488 563873861 /nfs/dbraw/zinc/87/38/61/563873861.db2.gz NBVKSONJLPFCPF-UHFFFAOYSA-N 1 2 342.512 3.906 50 0 EHAALO Cn1c(Cc2ccccc2)nn(C[N@@H+](C2CC2)C2CCCC2)c1=S ZINC000024656488 563873863 /nfs/dbraw/zinc/87/38/63/563873863.db2.gz NBVKSONJLPFCPF-UHFFFAOYSA-N 1 2 342.512 3.906 50 0 EHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cnc2ccccc2c1 ZINC000025156978 563881590 /nfs/dbraw/zinc/88/15/90/563881590.db2.gz JHCIEANHGKTYCR-UHFFFAOYSA-N 1 2 330.391 3.786 50 0 EHAALO CCOc1ccc2c(c1)sc(=S)n2C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000025158425 563881910 /nfs/dbraw/zinc/88/19/10/563881910.db2.gz DJRPKESWGJCLQS-RYUDHWBXSA-N 1 2 338.498 3.898 50 0 EHAALO COc1ccccc1-c1nc(CCn2c(C)[nH+]c3ccccc32)no1 ZINC000041146303 563924333 /nfs/dbraw/zinc/92/43/33/563924333.db2.gz YUWSMMMDKGTLJQ-UHFFFAOYSA-N 1 2 334.379 3.646 50 0 EHAALO Cc1ccccc1-c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000057524535 563935709 /nfs/dbraw/zinc/93/57/09/563935709.db2.gz AUYIAKVKOPYLEF-UHFFFAOYSA-N 1 2 327.457 3.537 50 0 EHAALO COc1ccc(C)cc1C[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000058430104 563946254 /nfs/dbraw/zinc/94/62/54/563946254.db2.gz CEWCFOOUWTZNME-LJQANCHMSA-N 1 2 349.434 3.995 50 0 EHAALO COc1ccc(C)cc1C[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000058430104 563946256 /nfs/dbraw/zinc/94/62/56/563946256.db2.gz CEWCFOOUWTZNME-LJQANCHMSA-N 1 2 349.434 3.995 50 0 EHAALO c1c(CCc2nc(C3CC3)nn2-c2ccccc2)[nH+]c2ccccn12 ZINC000065431172 563960841 /nfs/dbraw/zinc/96/08/41/563960841.db2.gz XNYZOPGLZOVRPR-UHFFFAOYSA-N 1 2 329.407 3.578 50 0 EHAALO CCOc1ncccc1Cn1c[nH+]c(-c2ccccc2)c1[C@@H]1CCOC1 ZINC000065495287 563961545 /nfs/dbraw/zinc/96/15/45/563961545.db2.gz DEEJMCLGJWHLRN-GOSISDBHSA-N 1 2 349.434 3.896 50 0 EHAALO Brc1ccccc1C1CC[NH+](Cc2cncnc2)CC1 ZINC000188621275 563964021 /nfs/dbraw/zinc/96/40/21/563964021.db2.gz GAVKAWWTGHOJHI-UHFFFAOYSA-N 1 2 332.245 3.619 50 0 EHAALO CCOc1cc(-c2[nH+]ccn2Cc2cn3ccccc3n2)ccc1OC ZINC000071738513 563964906 /nfs/dbraw/zinc/96/49/06/563964906.db2.gz KZIMHTLIKMNMPZ-UHFFFAOYSA-N 1 2 348.406 3.653 50 0 EHAALO Clc1ccc([C@@H]2C[N@H+](CCCn3cccn3)CCO2)cc1Cl ZINC000071751909 563965192 /nfs/dbraw/zinc/96/51/92/563965192.db2.gz PNAKIIJGAGLCNA-INIZCTEOSA-N 1 2 340.254 3.654 50 0 EHAALO Clc1ccc([C@@H]2C[N@@H+](CCCn3cccn3)CCO2)cc1Cl ZINC000071751909 563965193 /nfs/dbraw/zinc/96/51/93/563965193.db2.gz PNAKIIJGAGLCNA-INIZCTEOSA-N 1 2 340.254 3.654 50 0 EHAALO Cc1cc(C)n(-c2cccc(-c3[nH+]ccn3CCc3cccnc3)c2)n1 ZINC000071753293 563965257 /nfs/dbraw/zinc/96/52/57/563965257.db2.gz YPDDAGZENXDWPQ-UHFFFAOYSA-N 1 2 343.434 3.990 50 0 EHAALO COc1ccc([C@@H](NCc2cn3ccccc3[nH+]2)C(F)(F)F)cc1 ZINC000097056128 563967129 /nfs/dbraw/zinc/96/71/29/563967129.db2.gz ORSQXLWOWDQKCM-MRXNPFEDSA-N 1 2 335.329 3.736 50 0 EHAALO CCc1ccc(-c2[nH+]ccn2[C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000077407479 563969463 /nfs/dbraw/zinc/96/94/63/563969463.db2.gz SEGNXNCGOOKKCO-GOSISDBHSA-N 1 2 333.439 3.744 50 0 EHAALO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCCn4nc(C)nc43)oc21 ZINC000097034724 563971249 /nfs/dbraw/zinc/97/12/49/563971249.db2.gz FHYZUUWAADSPOW-IUODEOHRSA-N 1 2 340.427 3.917 50 0 EHAALO CCC[C@@H](C(=O)NC)n1cc[nH+]c1-c1ccccc1C(F)(F)F ZINC000082137436 563972634 /nfs/dbraw/zinc/97/26/34/563972634.db2.gz VDHOONXNWDHCOF-ZDUSSCGKSA-N 1 2 325.334 3.656 50 0 EHAALO COc1ccc(-c2nccn2Cc2ccc3c(c2)[nH+]c(C)n3C)cc1O ZINC000082171063 563972878 /nfs/dbraw/zinc/97/28/78/563972878.db2.gz JAWBKVQYPSMGPV-UHFFFAOYSA-N 1 2 348.406 3.508 50 0 EHAALO O=C(c1ccc2[nH+]ccn2c1)N(Cc1ccsc1)C1CCCC1 ZINC000091305137 563975247 /nfs/dbraw/zinc/97/52/47/563975247.db2.gz AZCJBFNHVYZQML-UHFFFAOYSA-N 1 2 325.437 3.981 50 0 EHAALO O=C1C[C@@H](Cc2ccccc2)CN1Cc1c[nH+]cn1C1CCCCC1 ZINC000095506454 563977149 /nfs/dbraw/zinc/97/71/49/563977149.db2.gz IZDBAHGFWDZTJH-GOSISDBHSA-N 1 2 337.467 3.980 50 0 EHAALO COc1ccc(C[N@H+](C)Cc2scnc2C)c(Cl)c1OC ZINC000179429774 564001995 /nfs/dbraw/zinc/00/19/95/564001995.db2.gz WBBYKUOLPBAJRC-UHFFFAOYSA-N 1 2 326.849 3.754 50 0 EHAALO COc1ccc(C[N@@H+](C)Cc2scnc2C)c(Cl)c1OC ZINC000179429774 564001996 /nfs/dbraw/zinc/00/19/96/564001996.db2.gz WBBYKUOLPBAJRC-UHFFFAOYSA-N 1 2 326.849 3.754 50 0 EHAALO FC(F)(F)c1ccc([C@@H]2C[N@H+](Cc3cncs3)CCO2)cc1 ZINC000180775746 564013538 /nfs/dbraw/zinc/01/35/38/564013538.db2.gz SIGKZSSILSSSCO-AWEZNQCLSA-N 1 2 328.359 3.735 50 0 EHAALO FC(F)(F)c1ccc([C@@H]2C[N@@H+](Cc3cncs3)CCO2)cc1 ZINC000180775746 564013539 /nfs/dbraw/zinc/01/35/39/564013539.db2.gz SIGKZSSILSSSCO-AWEZNQCLSA-N 1 2 328.359 3.735 50 0 EHAALO CC(C)c1noc([C@@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000045914054 564028875 /nfs/dbraw/zinc/02/88/75/564028875.db2.gz XFAGOEMCBZRUCN-PBHICJAKSA-N 1 2 329.444 3.700 50 0 EHAALO Cc1cc(C)c(CNC(=O)[C@@H]2CCCc3c4ccccc4[nH]c32)c[nH+]1 ZINC000220491643 564035880 /nfs/dbraw/zinc/03/58/80/564035880.db2.gz KJRRJUDGMVUXQP-GOSISDBHSA-N 1 2 333.435 3.916 50 0 EHAALO CC(=O)c1cc(C[NH+]2CCC([C@H](O)c3cccs3)CC2)cs1 ZINC000244734390 564052262 /nfs/dbraw/zinc/05/22/62/564052262.db2.gz NEQQFTSJGCYTKD-KRWDZBQOSA-N 1 2 335.494 3.958 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000012530358 564058197 /nfs/dbraw/zinc/05/81/97/564058197.db2.gz DEPBCGSHESJHMM-HOCLYGCPSA-N 1 2 329.831 3.635 50 0 EHAALO O=C(NCC1CCN(c2cccc[nH+]2)CC1)c1cccc2ccccc21 ZINC000043975741 564058941 /nfs/dbraw/zinc/05/89/41/564058941.db2.gz CFVUWMLFQPEDSB-UHFFFAOYSA-N 1 2 345.446 3.881 50 0 EHAALO CCCN(Cc1[nH+]ccn1C)C(=O)N[C@H](C)c1ccc(OCC)cc1 ZINC000534642942 564061287 /nfs/dbraw/zinc/06/12/87/564061287.db2.gz QVWRSWMQJICMPO-OAHLLOKOSA-N 1 2 344.459 3.502 50 0 EHAALO C[C@H](c1cccc(-c2c(C(=O)[O-])[nH+]c3ccccn32)c1)[NH+]1CCCC1 ZINC000534670077 564061570 /nfs/dbraw/zinc/06/15/70/564061570.db2.gz PWAHQQXNWCOOFF-CQSZACIVSA-N 1 2 335.407 3.856 50 0 EHAALO Cc1ccc(-c2cc(C(F)(F)F)n(-c3cc(C)[nH+]c(N)n3)n2)cc1 ZINC000001407790 564065277 /nfs/dbraw/zinc/06/52/77/564065277.db2.gz LFZJSTFDPZEAPM-UHFFFAOYSA-N 1 2 333.317 3.547 50 0 EHAALO c1c[nH+]c([C@H]2CCCCN2c2ncnc3sc4c(c32)CCC4)[nH]1 ZINC000084613370 564069107 /nfs/dbraw/zinc/06/91/07/564069107.db2.gz BSWPVUCHGJRCOP-GFCCVEGCSA-N 1 2 325.441 3.635 50 0 EHAALO C[C@@H](CCc1ccccc1)CC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000063575515 564073258 /nfs/dbraw/zinc/07/32/58/564073258.db2.gz FOPAWQZGTZAFCG-KRWDZBQOSA-N 1 2 348.450 3.543 50 0 EHAALO C[C@H](Oc1ccccc1)C(=O)Nc1cccc(-c2c[nH+]c3n2CCC3)c1 ZINC000085471560 564073428 /nfs/dbraw/zinc/07/34/28/564073428.db2.gz VUYXUJSPHHXQET-HNNXBMFYSA-N 1 2 347.418 3.902 50 0 EHAALO O=C(Cc1ccccc1)Nc1ccc(C2=CSC3=[NH+]CCCN23)cc1 ZINC000012853600 564075439 /nfs/dbraw/zinc/07/54/39/564075439.db2.gz UZHLMBZGMZTGBW-UHFFFAOYSA-N 1 2 349.459 3.975 50 0 EHAALO CC[N@H+](Cc1nnc(-c2ccc(OC)cc2)o1)Cc1cccc(F)c1 ZINC000012888555 564077508 /nfs/dbraw/zinc/07/75/08/564077508.db2.gz JQQNTMWICHVWLX-UHFFFAOYSA-N 1 2 341.386 3.906 50 0 EHAALO CC[N@@H+](Cc1nnc(-c2ccc(OC)cc2)o1)Cc1cccc(F)c1 ZINC000012888555 564077509 /nfs/dbraw/zinc/07/75/09/564077509.db2.gz JQQNTMWICHVWLX-UHFFFAOYSA-N 1 2 341.386 3.906 50 0 EHAALO O=C(CCc1cccc(Cl)c1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575612201 564082717 /nfs/dbraw/zinc/08/27/17/564082717.db2.gz JFHQIXZPUIXUMH-GOSISDBHSA-N 1 2 344.842 3.738 50 0 EHAALO O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575613198 564082744 /nfs/dbraw/zinc/08/27/44/564082744.db2.gz PPAKWKFKWPGJJV-MRXNPFEDSA-N 1 2 331.803 3.810 50 0 EHAALO CC(C)(C)c1ccc(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000064290799 564086159 /nfs/dbraw/zinc/08/61/59/564086159.db2.gz SPEPIMSAGHSCKO-UHFFFAOYSA-N 1 2 347.418 3.991 50 0 EHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nc2ccccc2s1 ZINC000240744100 564088276 /nfs/dbraw/zinc/08/82/76/564088276.db2.gz HUMCFTWFFZEXMI-CFVMTHIKSA-N 1 2 330.453 3.602 50 0 EHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nc2ccccc2s1 ZINC000240744100 564088277 /nfs/dbraw/zinc/08/82/77/564088277.db2.gz HUMCFTWFFZEXMI-CFVMTHIKSA-N 1 2 330.453 3.602 50 0 EHAALO CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCCn2cc[nH+]c2)o1 ZINC000089286596 564089203 /nfs/dbraw/zinc/08/92/03/564089203.db2.gz AEEKSRVODCIVEU-NVXWUHKLSA-N 1 2 329.444 3.819 50 0 EHAALO Cc1cc(-c2ccc(C(=O)N[C@@H](c3[nH+]ccn3C)C(C)C)cc2)ccn1 ZINC000426674020 564094330 /nfs/dbraw/zinc/09/43/30/564094330.db2.gz IRSVDVSYENQWLX-LJQANCHMSA-N 1 2 348.450 3.918 50 0 EHAALO CC1CCN(C2=[NH+]CCN2C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000064677713 564095311 /nfs/dbraw/zinc/09/53/11/564095311.db2.gz DODKIAURELJTIV-UHFFFAOYSA-N 1 2 327.472 3.528 50 0 EHAALO O=C(C1CC1)N(Cc1[nH+]ccn1Cc1ccccc1Cl)CC1CC1 ZINC000006689452 564095829 /nfs/dbraw/zinc/09/58/29/564095829.db2.gz OISQPHCFPKONBJ-UHFFFAOYSA-N 1 2 343.858 3.733 50 0 EHAALO Cc1ccc2[nH+]c(CSc3nnc(C4CC4)n3C3CC3)cn2c1 ZINC000007674232 564121779 /nfs/dbraw/zinc/12/17/79/564121779.db2.gz ICWFSDZCSAGDFL-UHFFFAOYSA-N 1 2 325.441 3.739 50 0 EHAALO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1F ZINC000007911352 564125120 /nfs/dbraw/zinc/12/51/20/564125120.db2.gz NJKXZYOSXLNMCA-UHFFFAOYSA-N 1 2 340.320 3.915 50 0 EHAALO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1F ZINC000007911352 564125121 /nfs/dbraw/zinc/12/51/21/564125121.db2.gz NJKXZYOSXLNMCA-UHFFFAOYSA-N 1 2 340.320 3.915 50 0 EHAALO Cc1c[nH+]c([C@H](C)n2cnc3sc(-c4ccccc4)cc3c2=O)[nH]1 ZINC000584885658 564131472 /nfs/dbraw/zinc/13/14/72/564131472.db2.gz PFHIHNYZJJTMJR-LBPRGKRZSA-N 1 2 336.420 3.766 50 0 EHAALO Cc1[nH]c(-c2cccc(C(=O)N(Cc3ccccn3)C3CC3)c2)c(C)[nH+]1 ZINC000584895346 564131650 /nfs/dbraw/zinc/13/16/50/564131650.db2.gz QXTHHABYIMCIGS-UHFFFAOYSA-N 1 2 346.434 3.893 50 0 EHAALO O=C(Nc1ccccc1-c1ccncc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000253433321 564131904 /nfs/dbraw/zinc/13/19/04/564131904.db2.gz VPQNAFZWHYGXSG-UHFFFAOYSA-N 1 2 347.422 3.883 50 0 EHAALO O=C(Nc1ccccc1-c1ccncc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000253433321 564131905 /nfs/dbraw/zinc/13/19/05/564131905.db2.gz VPQNAFZWHYGXSG-UHFFFAOYSA-N 1 2 347.422 3.883 50 0 EHAALO CC(C)c1ccc(C[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)cc1 ZINC000328586492 564136499 /nfs/dbraw/zinc/13/64/99/564136499.db2.gz LEKDUJWCXZGFCE-GOSISDBHSA-N 1 2 339.483 3.567 50 0 EHAALO O=C(c1ccc2[nH+]ccn2c1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000328586733 564136513 /nfs/dbraw/zinc/13/65/13/564136513.db2.gz PLHXPIKAHIFOLW-UHFFFAOYSA-N 1 2 341.361 3.632 50 0 EHAALO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000095969200 564143373 /nfs/dbraw/zinc/14/33/73/564143373.db2.gz RZEBTDOGRXEGLG-FZMZJTMJSA-N 1 2 327.457 3.636 50 0 EHAALO Fc1ccccc1C[NH2+][C@@H]1CCCc2cn(CC(F)(F)F)nc21 ZINC000096002750 564144412 /nfs/dbraw/zinc/14/44/12/564144412.db2.gz MYMGUFPJJVBTFZ-CQSZACIVSA-N 1 2 327.325 3.752 50 0 EHAALO O=C(/C=C\c1ccccc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000096372497 564146913 /nfs/dbraw/zinc/14/69/13/564146913.db2.gz KIWRNASBEWHGPJ-QBFSEMIESA-N 1 2 335.451 3.792 50 0 EHAALO O=C(N[C@H](c1ccccc1)C1CCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000096404210 564147253 /nfs/dbraw/zinc/14/72/53/564147253.db2.gz GMSUTWQEKPHMGH-LJQANCHMSA-N 1 2 338.455 3.771 50 0 EHAALO Cc1cc(NC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc[nH+]1 ZINC000096489200 564148711 /nfs/dbraw/zinc/14/87/11/564148711.db2.gz VCDXJULBQYDTGL-ZDUSSCGKSA-N 1 2 338.411 3.621 50 0 EHAALO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)COCc1cccs1 ZINC000002630959 564151455 /nfs/dbraw/zinc/15/14/55/564151455.db2.gz JDEFWHOCXYAMLL-LBPRGKRZSA-N 1 2 343.851 3.550 50 0 EHAALO Cc1cccc(CN2CC[NH+](Cc3nc4ccccc4nc3C)CC2)c1 ZINC000058392492 564158952 /nfs/dbraw/zinc/15/89/52/564158952.db2.gz MATLMVLEAZHGDY-UHFFFAOYSA-N 1 2 346.478 3.564 50 0 EHAALO CCn1cnn(C[N@H+](C)Cc2ccc3cc(OC)ccc3c2)c1=S ZINC000008184911 564163348 /nfs/dbraw/zinc/16/33/48/564163348.db2.gz BWTTYRRZOVADJC-UHFFFAOYSA-N 1 2 342.468 3.685 50 0 EHAALO CCn1cnn(C[N@@H+](C)Cc2ccc3cc(OC)ccc3c2)c1=S ZINC000008184911 564163349 /nfs/dbraw/zinc/16/33/49/564163349.db2.gz BWTTYRRZOVADJC-UHFFFAOYSA-N 1 2 342.468 3.685 50 0 EHAALO O=C(NCCc1[nH+]ccn1C(F)F)N[C@H](c1ccccc1)C1CCC1 ZINC000069583975 564170667 /nfs/dbraw/zinc/17/06/67/564170667.db2.gz NVCOKISHUJSGKV-MRXNPFEDSA-N 1 2 348.397 3.661 50 0 EHAALO O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069629231 564171055 /nfs/dbraw/zinc/17/10/55/564171055.db2.gz VZHSZLPDHRVMPR-QGZVFWFLSA-N 1 2 348.406 3.548 50 0 EHAALO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069917595 564172796 /nfs/dbraw/zinc/17/27/96/564172796.db2.gz BUTQCRVDEZXAJM-MRXNPFEDSA-N 1 2 339.370 3.760 50 0 EHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nc2ccccc2s1 ZINC000041624480 564174155 /nfs/dbraw/zinc/17/41/55/564174155.db2.gz HUMCFTWFFZEXMI-QEJZJMRPSA-N 1 2 330.453 3.602 50 0 EHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc2ccccc2s1 ZINC000041624480 564174156 /nfs/dbraw/zinc/17/41/56/564174156.db2.gz HUMCFTWFFZEXMI-QEJZJMRPSA-N 1 2 330.453 3.602 50 0 EHAALO Brc1ccc(CSc2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000070688620 564174276 /nfs/dbraw/zinc/17/42/76/564174276.db2.gz VYOMQBFUXFIVPG-UHFFFAOYSA-N 1 2 347.241 3.717 50 0 EHAALO O=C(NCC1(c2ccccc2)CCC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000071826993 564175695 /nfs/dbraw/zinc/17/56/95/564175695.db2.gz GVRJIMPOIKPPEQ-SFHVURJKSA-N 1 2 349.478 3.536 50 0 EHAALO Cn1cc(C[N@H+](C)Cc2cnc(Nc3cccc(Cl)c3)s2)cn1 ZINC000023431528 1035344629 /nfs/dbraw/zinc/34/46/29/1035344629.db2.gz BKMWFUVRHVQDRQ-UHFFFAOYSA-N 1 2 347.875 3.906 50 0 EHAALO Cn1cc(C[N@@H+](C)Cc2cnc(Nc3cccc(Cl)c3)s2)cn1 ZINC000023431528 1035344634 /nfs/dbraw/zinc/34/46/34/1035344634.db2.gz BKMWFUVRHVQDRQ-UHFFFAOYSA-N 1 2 347.875 3.906 50 0 EHAALO CCC(=O)N1CCC(Cc2ccc(COc3cc[nH+]cc3)cc2)CC1 ZINC000581810457 1132370631 /nfs/dbraw/zinc/37/06/31/1132370631.db2.gz UVRAZKRWIZKHKN-UHFFFAOYSA-N 1 2 338.451 3.852 50 0 EHAALO Cn1cnc(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)c1 ZINC000585083839 1136970806 /nfs/dbraw/zinc/97/08/06/1136970806.db2.gz ZRFRWWCPDQWSHA-ZDUSSCGKSA-N 1 2 326.227 3.730 50 0 EHAALO CCOC1(c2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CCCC1 ZINC000585120278 1137012221 /nfs/dbraw/zinc/01/22/21/1137012221.db2.gz DDRUNJPEBLICSN-UHFFFAOYSA-N 1 2 338.411 3.652 50 0 EHAALO c1ccn([C@@H](Cc2c[nH]c[nH+]2)c2nc(C3CC3)nn2-c2ccccc2)c1 ZINC000067868377 215234806 /nfs/dbraw/zinc/23/48/06/215234806.db2.gz STMIDLWCECAFLO-SFHVURJKSA-N 1 2 344.422 3.501 50 0 EHAALO C[C@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)n1cc[nH+]c1 ZINC000040145264 213272316 /nfs/dbraw/zinc/27/23/16/213272316.db2.gz GHZHAHIZMBFYBF-LLVKDONJSA-N 1 2 346.843 3.784 50 0 EHAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)c(OC)c1 ZINC000040066912 213256786 /nfs/dbraw/zinc/25/67/86/213256786.db2.gz JPONMFPKVVAXOW-OAHLLOKOSA-N 1 2 345.443 3.721 50 0 EHAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)c(OC)c1 ZINC000040066912 213256789 /nfs/dbraw/zinc/25/67/89/213256789.db2.gz JPONMFPKVVAXOW-OAHLLOKOSA-N 1 2 345.443 3.721 50 0 EHAALO CCn1cc(C[N@H+](CC)Cc2ccc(OC)c(OC)c2Cl)cn1 ZINC000215876208 241154114 /nfs/dbraw/zinc/15/41/14/241154114.db2.gz WWPBFSILKOIMRZ-UHFFFAOYSA-N 1 2 337.851 3.596 50 0 EHAALO CCn1cc(C[N@@H+](CC)Cc2ccc(OC)c(OC)c2Cl)cn1 ZINC000215876208 241154119 /nfs/dbraw/zinc/15/41/19/241154119.db2.gz WWPBFSILKOIMRZ-UHFFFAOYSA-N 1 2 337.851 3.596 50 0 EHAALO Cc1cc([C@H]2CCCCN2Cc2c[nH+]cn2Cc2ccccc2)no1 ZINC000244874761 243093293 /nfs/dbraw/zinc/09/32/93/243093293.db2.gz XGWMTZIKBZRRMF-HXUWFJFHSA-N 1 2 336.439 3.955 50 0 EHAALO O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020495056 212140709 /nfs/dbraw/zinc/14/07/09/212140709.db2.gz XTDSQGZTUNWGHR-UHFFFAOYSA-N 1 2 349.261 3.951 50 0 EHAALO O=C(Nc1cccc(F)c1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020437908 212129296 /nfs/dbraw/zinc/12/92/96/212129296.db2.gz ZZRAJRDCCYVXCN-UHFFFAOYSA-N 1 2 347.821 3.829 50 0 EHAALO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cccc(F)c1 ZINC000049563625 214018575 /nfs/dbraw/zinc/01/85/75/214018575.db2.gz JFOZLCVMPZRRGB-SNVBAGLBSA-N 1 2 331.778 3.566 50 0 EHAALO Cc1c[nH+]ccc1NC(=O)CCCCCNC(=O)NC1CCCCC1 ZINC000079361794 217216319 /nfs/dbraw/zinc/21/63/19/217216319.db2.gz UMUYKBOCOHKXDY-UHFFFAOYSA-N 1 2 346.475 3.521 50 0 EHAALO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080910421 217339806 /nfs/dbraw/zinc/33/98/06/217339806.db2.gz QNRCCXYIOPBDJA-AWEZNQCLSA-N 1 2 331.847 3.811 50 0 EHAALO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080910421 217339808 /nfs/dbraw/zinc/33/98/08/217339808.db2.gz QNRCCXYIOPBDJA-AWEZNQCLSA-N 1 2 331.847 3.811 50 0 EHAALO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@H]2CCCCO2)n1 ZINC000085904639 217687240 /nfs/dbraw/zinc/68/72/40/217687240.db2.gz JGHCPDVWHPAELH-HXUWFJFHSA-N 1 2 325.456 3.665 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000012506914 211394456 /nfs/dbraw/zinc/39/44/56/211394456.db2.gz VYYLEMKTUIEHSI-MRXNPFEDSA-N 1 2 325.799 3.593 50 0 EHAALO Cc1ccoc1C(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000012304388 211340182 /nfs/dbraw/zinc/34/01/82/211340182.db2.gz POMGMNXTWIBLQI-UHFFFAOYSA-N 1 2 335.407 3.549 50 0 EHAALO CCn1cc[nH+]c1C1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000091746978 218058186 /nfs/dbraw/zinc/05/81/86/218058186.db2.gz INLFDPVWHMVXDM-UHFFFAOYSA-N 1 2 331.847 3.505 50 0 EHAALO O=C([O-])[C@]1(CC2CC2)CCC[N@H+](Cc2c[nH+]c(CC3CCCC3)[nH]2)C1 ZINC000092077979 218116345 /nfs/dbraw/zinc/11/63/45/218116345.db2.gz KJIVGCFJCSWXNY-FQEVSTJZSA-N 1 2 345.487 3.609 50 0 EHAALO O=C([O-])[C@]1(CC2CC2)CCC[N@@H+](Cc2c[nH+]c(CC3CCCC3)[nH]2)C1 ZINC000092077979 218116347 /nfs/dbraw/zinc/11/63/47/218116347.db2.gz KJIVGCFJCSWXNY-FQEVSTJZSA-N 1 2 345.487 3.609 50 0 EHAALO Cn1ncc2c1nc[nH+]c2NCCC(c1ccccc1)c1ccccc1 ZINC000009532126 211100512 /nfs/dbraw/zinc/10/05/12/211100512.db2.gz CDJMQNUJDVKEPC-UHFFFAOYSA-N 1 2 343.434 3.997 50 0 EHAALO CC(C)(C)SCc1cccc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000095397937 218330787 /nfs/dbraw/zinc/33/07/87/218330787.db2.gz PGZGTUVYCHWLGG-UHFFFAOYSA-N 1 2 332.473 3.737 50 0 EHAALO Cc1cnc([C@@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C2CC2)s1 ZINC000095405375 218341444 /nfs/dbraw/zinc/34/14/44/218341444.db2.gz PFZLOTPYVKNBCB-KBPBESRZSA-N 1 2 345.472 3.563 50 0 EHAALO Cc1cccc2[nH+]c(C[S@@](=O)c3ncc(C(C)(C)C)s3)cn21 ZINC000095440988 218385288 /nfs/dbraw/zinc/38/52/88/218385288.db2.gz SUZBNNGFOYHHOR-QFIPXVFZSA-N 1 2 333.482 3.705 50 0 EHAALO O=C(c1cc(C2CC2)nc2ccccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000096402581 218750098 /nfs/dbraw/zinc/75/00/98/218750098.db2.gz ITIJVTFYPMZLNL-UHFFFAOYSA-N 1 2 346.434 3.786 50 0 EHAALO CCN(CC)c1ccc(CNC(=O)CCCc2ccccc2)c[nH+]1 ZINC000040121320 257854375 /nfs/dbraw/zinc/85/43/75/257854375.db2.gz HFILTCMDPOJZSX-UHFFFAOYSA-N 1 2 325.456 3.567 50 0 EHAALO Cc1nc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)cc[nH+]1 ZINC000291634775 258012088 /nfs/dbraw/zinc/01/20/88/258012088.db2.gz ASBIKGMNHLFGPJ-ABAIWWIYSA-N 1 2 337.345 3.770 50 0 EHAALO Cc1cc2c(N3CCC(n4c(C)[nH+]c5ccccc54)CC3)nccn2n1 ZINC000280297192 258014411 /nfs/dbraw/zinc/01/44/11/258014411.db2.gz RBJNODWIZZJPDM-UHFFFAOYSA-N 1 2 346.438 3.537 50 0 EHAALO c1ccc2oc(C3CCN(c4cc(N5CCCC5)[nH+]cn4)CC3)nc2c1 ZINC000302781097 258016731 /nfs/dbraw/zinc/01/67/31/258016731.db2.gz JAZGOGQJGROYKA-UHFFFAOYSA-N 1 2 349.438 3.602 50 0 EHAALO c1ccc2oc(C3CCN(c4cc(N5CCCC5)nc[nH+]4)CC3)nc2c1 ZINC000302781097 258016732 /nfs/dbraw/zinc/01/67/32/258016732.db2.gz JAZGOGQJGROYKA-UHFFFAOYSA-N 1 2 349.438 3.602 50 0 EHAALO CC(C)[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1[nH+]ccn1C ZINC000299791046 258096753 /nfs/dbraw/zinc/09/67/53/258096753.db2.gz BYVIQZCRKMIKTF-HNNXBMFYSA-N 1 2 340.254 3.783 50 0 EHAALO Cc1nc(C[NH+]2CCN(c3cc(C)c4ccccc4n3)CC2)cs1 ZINC000054867123 132192767 /nfs/dbraw/zinc/19/27/67/132192767.db2.gz LJDYENXQMIGAJM-UHFFFAOYSA-N 1 2 338.480 3.630 50 0 EHAALO Cc1c(C)n(C(=O)C[NH+]2CCN(c3ccccc3)CC2)c2ccccc12 ZINC000035564946 132390469 /nfs/dbraw/zinc/39/04/69/132390469.db2.gz BDBPAQPFHRABSZ-UHFFFAOYSA-N 1 2 347.462 3.721 50 0 EHAALO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1occc1-c1ccccc1 ZINC000060648370 132804807 /nfs/dbraw/zinc/80/48/07/132804807.db2.gz SMJOEUJVVVOFJT-UHFFFAOYSA-N 1 2 347.418 3.740 50 0 EHAALO FC(F)(F)Cn1cc[nH+]c1CN1CCS[C@H](c2ccccc2)C1 ZINC000071910703 563576379 /nfs/dbraw/zinc/57/63/79/563576379.db2.gz QHMKQNLWUVZLQF-AWEZNQCLSA-N 1 2 341.402 3.736 50 0 EHAALO Cc1occc1C(=O)NCc1ccc[nH+]c1N1CCCCCCC1 ZINC000012574829 563663356 /nfs/dbraw/zinc/66/33/56/563663356.db2.gz QTIJXAQPEPRETB-UHFFFAOYSA-N 1 2 327.428 3.684 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2F)c1C ZINC000012792358 563671992 /nfs/dbraw/zinc/67/19/92/563671992.db2.gz UNMZYVSHBSISAM-YPMHNXCESA-N 1 2 330.403 3.895 50 0 EHAALO Cc1nn(C)cc1C[N@H+](C)Cc1csc(-c2ccccc2C)n1 ZINC000014192071 563748916 /nfs/dbraw/zinc/74/89/16/563748916.db2.gz GOENENMIWDPRFJ-UHFFFAOYSA-N 1 2 326.469 3.792 50 0 EHAALO Cc1nn(C)cc1C[N@@H+](C)Cc1csc(-c2ccccc2C)n1 ZINC000014192071 563748920 /nfs/dbraw/zinc/74/89/20/563748920.db2.gz GOENENMIWDPRFJ-UHFFFAOYSA-N 1 2 326.469 3.792 50 0 EHAALO C[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000016045270 563802300 /nfs/dbraw/zinc/80/23/00/563802300.db2.gz WZYMLCVYIMWCAH-GFCCVEGCSA-N 1 2 327.334 3.642 50 0 EHAALO O=C(CCc1ccccc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000016604838 563817085 /nfs/dbraw/zinc/81/70/85/563817085.db2.gz BDPAFXZKPWMEAE-UHFFFAOYSA-N 1 2 342.870 3.617 50 0 EHAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(Cl)ccc1F ZINC000024749454 563874808 /nfs/dbraw/zinc/87/48/08/563874808.db2.gz UTRQQBHXHYZZNB-UHFFFAOYSA-N 1 2 343.789 3.654 50 0 EHAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1(c2ccccc2)CCC1 ZINC000024751780 563875138 /nfs/dbraw/zinc/87/51/38/563875138.db2.gz GCMXEWKUKUJNRO-UHFFFAOYSA-N 1 2 345.446 3.670 50 0 EHAALO CSc1cccc(NC(=O)NCCn2c(C)[nH+]c3ccccc32)c1 ZINC000032951087 563890838 /nfs/dbraw/zinc/89/08/38/563890838.db2.gz BDUNTHUCUZFTKF-UHFFFAOYSA-N 1 2 340.452 3.888 50 0 EHAALO C[C@H](NC(=O)[C@H](C)Sc1[nH+]cc2ccccn21)c1ccccc1 ZINC000026372354 563891158 /nfs/dbraw/zinc/89/11/58/563891158.db2.gz ZMNZZCZKESREKP-KBPBESRZSA-N 1 2 325.437 3.692 50 0 EHAALO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2ccoc2)c2ccccc2)c1 ZINC000072284595 563906213 /nfs/dbraw/zinc/90/62/13/563906213.db2.gz SAMKILFWKIXANN-OAQYLSRUSA-N 1 2 348.402 3.800 50 0 EHAALO C[C@H]1c2cccn2CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)cc1 ZINC000072284746 563906336 /nfs/dbraw/zinc/90/63/36/563906336.db2.gz WDDRSAKHCKKSRD-HNNXBMFYSA-N 1 2 333.391 3.892 50 0 EHAALO Cc1ccc(C[N@H+](CCS(C)(=O)=O)[C@H]2CCc3ccccc32)cc1 ZINC000071812721 563922661 /nfs/dbraw/zinc/92/26/61/563922661.db2.gz FXRUUUAGFJYOGJ-FQEVSTJZSA-N 1 2 343.492 3.529 50 0 EHAALO Cc1ccc(C[N@@H+](CCS(C)(=O)=O)[C@H]2CCc3ccccc32)cc1 ZINC000071812721 563922663 /nfs/dbraw/zinc/92/26/63/563922663.db2.gz FXRUUUAGFJYOGJ-FQEVSTJZSA-N 1 2 343.492 3.529 50 0 EHAALO Clc1ccc(-c2ccc(C[NH2+]Cc3nnc4ccccn43)o2)cc1 ZINC000058171305 563938876 /nfs/dbraw/zinc/93/88/76/563938876.db2.gz MOCUOQWXHCZBFL-UHFFFAOYSA-N 1 2 338.798 3.933 50 0 EHAALO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3csc(C(C)C)n3)cn2)n1 ZINC000058264191 563941069 /nfs/dbraw/zinc/94/10/69/563941069.db2.gz UPVBVWLHMQSSBW-UHFFFAOYSA-N 1 2 341.484 3.754 50 0 EHAALO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000058328219 563942700 /nfs/dbraw/zinc/94/27/00/563942700.db2.gz WIEOIHXIIFAZOC-LJQANCHMSA-N 1 2 346.434 3.505 50 0 EHAALO O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000096427191 563952201 /nfs/dbraw/zinc/95/22/01/563952201.db2.gz YRCYABFJFJPXQA-HNNXBMFYSA-N 1 2 337.345 3.656 50 0 EHAALO CCc1cnc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)o1 ZINC000096429919 563952556 /nfs/dbraw/zinc/95/25/56/563952556.db2.gz WZMOVODKVXBZMB-UHFFFAOYSA-N 1 2 337.408 3.658 50 0 EHAALO COCc1ccccc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432103 563952720 /nfs/dbraw/zinc/95/27/20/563952720.db2.gz ZLZKKAXRNXBOAY-OAHLLOKOSA-N 1 2 335.407 3.510 50 0 EHAALO Cn1cccc1CNC(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000096434310 563953034 /nfs/dbraw/zinc/95/30/34/563953034.db2.gz JABRJJPTQARJJH-UHFFFAOYSA-N 1 2 349.438 3.547 50 0 EHAALO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(C(C)C)o3)ccc2NC1=O ZINC000096492087 563955724 /nfs/dbraw/zinc/95/57/24/563955724.db2.gz PNELWFZHFHORQH-DOMZBBRYSA-N 1 2 343.427 3.758 50 0 EHAALO CC(C)c1nnc(C2CC[NH+](CC(=O)c3ccc(Cl)cc3)CC2)o1 ZINC000096817330 563962743 /nfs/dbraw/zinc/96/27/43/563962743.db2.gz QXLXVGQYBYNXFN-UHFFFAOYSA-N 1 2 347.846 3.909 50 0 EHAALO CO[C@H](Cn1cc[nH+]c1-c1ccc2c(c1)OCCO2)c1cccs1 ZINC000071682194 563964732 /nfs/dbraw/zinc/96/47/32/563964732.db2.gz GZHZDVTXFRNIJU-MRXNPFEDSA-N 1 2 342.420 3.771 50 0 EHAALO CCn1c(C)nnc1C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000097112166 563967999 /nfs/dbraw/zinc/96/79/99/563967999.db2.gz TYWMYIGXJJHJPW-LBPRGKRZSA-N 1 2 327.457 3.581 50 0 EHAALO COc1cccc(OC[C@H]2CCCN(c3nc(C)[nH+]c(C)c3C)C2)c1 ZINC000077356983 563969178 /nfs/dbraw/zinc/96/91/78/563969178.db2.gz VOLFKTAMAWPAAT-KRWDZBQOSA-N 1 2 341.455 3.706 50 0 EHAALO Cc1cccc2[nH+]c(C3CCN(c4cc(C5CC5)ncn4)CC3)[nH]c21 ZINC000077471119 563969895 /nfs/dbraw/zinc/96/98/95/563969895.db2.gz IYVOTWFJQDFCFK-UHFFFAOYSA-N 1 2 333.439 3.923 50 0 EHAALO Cc1ccc2[nH+]c(CN3CCC[C@@H]3c3nc4ccccc4n3C)cn2c1 ZINC000077505033 563970054 /nfs/dbraw/zinc/97/00/54/563970054.db2.gz CPJVFLRLSMJGQB-LJQANCHMSA-N 1 2 345.450 3.867 50 0 EHAALO Cc1ccc2nc(C[N@H+]3CCC[C@@H]3c3nc4ccccc4n3C)cn2c1 ZINC000077505033 563970055 /nfs/dbraw/zinc/97/00/55/563970055.db2.gz CPJVFLRLSMJGQB-LJQANCHMSA-N 1 2 345.450 3.867 50 0 EHAALO Cc1ccc2nc(C[N@@H+]3CCC[C@@H]3c3nc4ccccc4n3C)cn2c1 ZINC000077505033 563970056 /nfs/dbraw/zinc/97/00/56/563970056.db2.gz CPJVFLRLSMJGQB-LJQANCHMSA-N 1 2 345.450 3.867 50 0 EHAALO COc1cc2cc[nH+]cc2cc1OC(=O)c1cnn(C(C)C)c1C ZINC000097232859 563970784 /nfs/dbraw/zinc/97/07/84/563970784.db2.gz ZGPXIZNZTJGBKH-UHFFFAOYSA-N 1 2 325.368 3.548 50 0 EHAALO Cc1c(CNC(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)oc2ccccc12 ZINC000095498146 563977055 /nfs/dbraw/zinc/97/70/55/563977055.db2.gz ZUKMNJWSOYGNHF-HXUWFJFHSA-N 1 2 349.434 3.590 50 0 EHAALO O=C(CCSCc1ccc(F)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095519314 563977377 /nfs/dbraw/zinc/97/73/77/563977377.db2.gz ALMJQIDBINXLCO-HNNXBMFYSA-N 1 2 347.459 3.578 50 0 EHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000095527707 563977521 /nfs/dbraw/zinc/97/75/21/563977521.db2.gz ANTZZDWYGZUFHP-UHFFFAOYSA-N 1 2 340.471 3.550 50 0 EHAALO Cc1ccc([C@H]2CCCN2C(=O)c2ccnc(-n3cc[nH+]c3)c2)cc1C ZINC000126363854 563995738 /nfs/dbraw/zinc/99/57/38/563995738.db2.gz NQZDDWOWQWRDBK-LJQANCHMSA-N 1 2 346.434 3.861 50 0 EHAALO Cc1csc([C@@H]2C[N@H+](CCCc3nc4ccccc4o3)CCO2)n1 ZINC000065463439 563998221 /nfs/dbraw/zinc/99/82/21/563998221.db2.gz VEEZLNYSBUNBJJ-INIZCTEOSA-N 1 2 343.452 3.599 50 0 EHAALO Cc1csc([C@@H]2C[N@@H+](CCCc3nc4ccccc4o3)CCO2)n1 ZINC000065463439 563998222 /nfs/dbraw/zinc/99/82/22/563998222.db2.gz VEEZLNYSBUNBJJ-INIZCTEOSA-N 1 2 343.452 3.599 50 0 EHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000000421023 563998262 /nfs/dbraw/zinc/99/82/62/563998262.db2.gz YQJKPWAVMBHXAI-UHFFFAOYSA-N 1 2 346.415 3.791 50 0 EHAALO COc1ccc(-n2ncc3c2nc[nH+]c3N(C)C2CCCCC2)cc1 ZINC000000426414 563999049 /nfs/dbraw/zinc/99/90/49/563999049.db2.gz XRCKIQRUBBOFOL-UHFFFAOYSA-N 1 2 337.427 3.593 50 0 EHAALO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1C[C@@H]2CCC[C@H]2C1 ZINC000270376639 563999096 /nfs/dbraw/zinc/99/90/96/563999096.db2.gz VBZFRPYGJVMKLG-HOTGVXAUSA-N 1 2 348.450 3.866 50 0 EHAALO CC[NH+](CC)Cc1nnc2sc(/C=C\c3ccc(Cl)cc3)nn12 ZINC000103168832 564021593 /nfs/dbraw/zinc/02/15/93/564021593.db2.gz CCVVYQUWWBGONE-YFHOEESVSA-N 1 2 347.875 3.851 50 0 EHAALO C[C@@H]1C[C@@H](C)CN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)C1 ZINC000000551395 564022957 /nfs/dbraw/zinc/02/29/57/564022957.db2.gz WTNKZJVGLHPLRW-CHWSQXEVSA-N 1 2 341.846 3.951 50 0 EHAALO Cc1noc([C@@H](C)[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000047274079 564026078 /nfs/dbraw/zinc/02/60/78/564026078.db2.gz PIONKSPUIIWTEM-LLVKDONJSA-N 1 2 326.375 3.849 50 0 EHAALO Cc1noc([C@@H](C)[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)n1 ZINC000047274079 564026079 /nfs/dbraw/zinc/02/60/79/564026079.db2.gz PIONKSPUIIWTEM-LLVKDONJSA-N 1 2 326.375 3.849 50 0 EHAALO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2nc([C@H](C)OCC)no2)C1(C)C ZINC000106923511 564026736 /nfs/dbraw/zinc/02/67/36/564026736.db2.gz FIGJLMWLZLGTCW-SOUVJXGZSA-N 1 2 339.480 3.583 50 0 EHAALO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc([C@H](C)OCC)no2)C1(C)C ZINC000106923511 564026737 /nfs/dbraw/zinc/02/67/37/564026737.db2.gz FIGJLMWLZLGTCW-SOUVJXGZSA-N 1 2 339.480 3.583 50 0 EHAALO COc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000044871177 564027244 /nfs/dbraw/zinc/02/72/44/564027244.db2.gz XLILCYNYBNOPEU-NSHDSACASA-N 1 2 341.333 3.520 50 0 EHAALO COc1ccccc1-c1noc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000044871177 564027245 /nfs/dbraw/zinc/02/72/45/564027245.db2.gz XLILCYNYBNOPEU-NSHDSACASA-N 1 2 341.333 3.520 50 0 EHAALO COc1ccc(Cl)cc1C[NH2+][C@@H](c1nccn1C)c1ccccc1 ZINC000048710485 564032103 /nfs/dbraw/zinc/03/21/03/564032103.db2.gz OBSWVHSDILDLAM-GOSISDBHSA-N 1 2 341.842 3.961 50 0 EHAALO COc1ccc(F)cc1C[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000008203402 564034843 /nfs/dbraw/zinc/03/48/43/564034843.db2.gz ZRQFFTFDMYSKDQ-UHFFFAOYSA-N 1 2 344.430 3.830 50 0 EHAALO COc1ccc(F)cc1C[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000008203402 564034844 /nfs/dbraw/zinc/03/48/44/564034844.db2.gz ZRQFFTFDMYSKDQ-UHFFFAOYSA-N 1 2 344.430 3.830 50 0 EHAALO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000032747205 564036174 /nfs/dbraw/zinc/03/61/74/564036174.db2.gz HQTNYLCNHSSLHZ-CQSZACIVSA-N 1 2 341.842 3.851 50 0 EHAALO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000032747205 564036175 /nfs/dbraw/zinc/03/61/75/564036175.db2.gz HQTNYLCNHSSLHZ-CQSZACIVSA-N 1 2 341.842 3.851 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CCc1ccc(OC)cc1 ZINC000241126092 564051864 /nfs/dbraw/zinc/05/18/64/564051864.db2.gz JJMBTMLNZVANOJ-SFHVURJKSA-N 1 2 341.455 3.598 50 0 EHAALO COc1ccc([C@@H](NC(=O)CCC2CCCC2)c2[nH+]ccn2C)cc1 ZINC000012541260 564058703 /nfs/dbraw/zinc/05/87/03/564058703.db2.gz AOWQJNFXDZSCJO-LJQANCHMSA-N 1 2 341.455 3.605 50 0 EHAALO CCCc1[nH+]c2ccccc2n1CC(=O)N1CCCc2ccccc21 ZINC000012603303 564060483 /nfs/dbraw/zinc/06/04/83/564060483.db2.gz LPGODZAJMWRHBX-UHFFFAOYSA-N 1 2 333.435 3.968 50 0 EHAALO Cc1[nH]c2ccccc2c1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000012608861 564060544 /nfs/dbraw/zinc/06/05/44/564060544.db2.gz QTMSAACVXBMLDV-UHFFFAOYSA-N 1 2 332.407 3.564 50 0 EHAALO COc1cc(CNc2ccc[nH+]c2N2CCCC2)cc(Cl)c1OC ZINC000083921345 564064740 /nfs/dbraw/zinc/06/47/40/564064740.db2.gz USXIAHQXXPJEDC-UHFFFAOYSA-N 1 2 347.846 3.965 50 0 EHAALO CC[N@H+](CC(=O)O[C@H](C)c1ccccn1)Cc1ccc(Cl)cc1 ZINC000084777450 564070165 /nfs/dbraw/zinc/07/01/65/564070165.db2.gz ZAYKHTPCEZOWKP-CQSZACIVSA-N 1 2 332.831 3.861 50 0 EHAALO CC[N@@H+](CC(=O)O[C@H](C)c1ccccn1)Cc1ccc(Cl)cc1 ZINC000084777450 564070166 /nfs/dbraw/zinc/07/01/66/564070166.db2.gz ZAYKHTPCEZOWKP-CQSZACIVSA-N 1 2 332.831 3.861 50 0 EHAALO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(Cl)c(Cl)c1 ZINC000016379625 564084519 /nfs/dbraw/zinc/08/45/19/564084519.db2.gz UPUZTYAHZPDKEJ-UHFFFAOYSA-N 1 2 343.279 3.803 50 0 EHAALO Cc1ccsc1C(=O)N1CC[C@H](n2c(C)[nH+]c3ccccc32)C1 ZINC000575619012 564083701 /nfs/dbraw/zinc/08/37/01/564083701.db2.gz ZBYYHNWNPALHOC-AWEZNQCLSA-N 1 2 325.437 3.802 50 0 EHAALO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(Cl)c(Cl)c1 ZINC000016379625 564084518 /nfs/dbraw/zinc/08/45/18/564084518.db2.gz UPUZTYAHZPDKEJ-UHFFFAOYSA-N 1 2 343.279 3.803 50 0 EHAALO Cc1ccc(C)c(Cn2cc[nH+]c2CN(CC2CC2)C(=O)C2CC2)c1 ZINC000006689115 564095877 /nfs/dbraw/zinc/09/58/77/564095877.db2.gz HPPNNTLAHWJYPZ-UHFFFAOYSA-N 1 2 337.467 3.697 50 0 EHAALO CCOc1ccccc1CNC(=O)c1cccn1-c1ccc[nH+]c1C ZINC000064839258 564096708 /nfs/dbraw/zinc/09/67/08/564096708.db2.gz KCPVFXBCTREKSG-UHFFFAOYSA-N 1 2 335.407 3.509 50 0 EHAALO Cc1cn2cc(NC(=O)c3cc(-c4ccccc4F)on3)ccc2[nH+]1 ZINC000065567280 564107680 /nfs/dbraw/zinc/10/76/80/564107680.db2.gz BSNBHBXEWAGICB-UHFFFAOYSA-N 1 2 336.326 3.689 50 0 EHAALO C[C@H](c1ccccc1F)[NH+]1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000065588031 564107817 /nfs/dbraw/zinc/10/78/17/564107817.db2.gz KOWCZHGTORXSCV-KGLIPLIRSA-N 1 2 344.434 3.526 50 0 EHAALO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1nccc2ccccc21 ZINC000170604711 564109500 /nfs/dbraw/zinc/10/95/00/564109500.db2.gz DMHVAMFGMCSHLX-CQSZACIVSA-N 1 2 344.374 3.734 50 0 EHAALO CC(C)c1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000013324751 564111481 /nfs/dbraw/zinc/11/14/81/564111481.db2.gz BPPFGPKYDNUPAC-UHFFFAOYSA-N 1 2 338.455 3.555 50 0 EHAALO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C(C)(C)C)c1nc(C2CC2)no1 ZINC000076046810 564114870 /nfs/dbraw/zinc/11/48/70/564114870.db2.gz CRGCLHWCRBTHSF-SMDDNHRTSA-N 1 2 329.448 3.627 50 0 EHAALO O=C(CCCn1cc[nH+]c1)Nc1cccc(N2CCCCCC2)c1 ZINC000076372412 564116513 /nfs/dbraw/zinc/11/65/13/564116513.db2.gz SHHZDGMOSLZCBT-UHFFFAOYSA-N 1 2 326.444 3.682 50 0 EHAALO Cc1cc(C(=O)NCCCn2cc[nH+]c2)sc1-c1ccccc1 ZINC000002872614 564117077 /nfs/dbraw/zinc/11/70/77/564117077.db2.gz XMJAYOZOYVQYFU-UHFFFAOYSA-N 1 2 325.437 3.740 50 0 aggregator EHAALO COc1ccc(CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1 ZINC000007725404 564122302 /nfs/dbraw/zinc/12/23/02/564122302.db2.gz QJGXAWJCUNZKKF-UHFFFAOYSA-N 1 2 349.434 3.953 50 0 EHAALO CC[C@H](C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccc(OC)cc1 ZINC000195154456 564122881 /nfs/dbraw/zinc/12/28/81/564122881.db2.gz MPZNDLGIVXDJMK-IRXDYDNUSA-N 1 2 327.428 3.666 50 0 EHAALO CCN(C(=O)c1cccc(-n2cc[nH+]c2)n1)[C@H](C)c1ccc(F)cc1 ZINC000195558217 564123734 /nfs/dbraw/zinc/12/37/34/564123734.db2.gz BTWYKTKCJYRJDZ-CQSZACIVSA-N 1 2 338.386 3.630 50 0 EHAALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1ccccc1Cl ZINC000007878321 564124293 /nfs/dbraw/zinc/12/42/93/564124293.db2.gz PWRCMWDGFZNNCO-GFCCVEGCSA-N 1 2 334.872 3.637 50 0 EHAALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1ccccc1Cl ZINC000007878321 564124294 /nfs/dbraw/zinc/12/42/94/564124294.db2.gz PWRCMWDGFZNNCO-GFCCVEGCSA-N 1 2 334.872 3.637 50 0 EHAALO Cc1cc(Br)ccc1N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000390835377 564139006 /nfs/dbraw/zinc/13/90/06/564139006.db2.gz MBVACLYAHBLFPP-UHFFFAOYSA-N 1 2 344.212 3.682 50 0 EHAALO Cc1oc(-c2ccccc2)nc1CN1CCc2c([nH+]cn2C2CC2)C1 ZINC000095373406 564139360 /nfs/dbraw/zinc/13/93/60/564139360.db2.gz HARGBLMLXPJNLM-UHFFFAOYSA-N 1 2 334.423 3.740 50 0 EHAALO Cc1ccc2[nH]c([C@H]3CCCN(c4ccc5nccnc5n4)C3)[nH+]c2c1 ZINC000095469173 564141177 /nfs/dbraw/zinc/14/11/77/564141177.db2.gz NAXSGWLEXWYGMC-AWEZNQCLSA-N 1 2 344.422 3.594 50 0 EHAALO CC(C)n1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000095474415 564141366 /nfs/dbraw/zinc/14/13/66/564141366.db2.gz BNWJCKFFVPWUBU-UHFFFAOYSA-N 1 2 348.450 3.580 50 0 EHAALO CCCn1cc[nH+]c1-c1cccc(NC(=O)CCc2ccccn2)c1 ZINC000095966638 564142958 /nfs/dbraw/zinc/14/29/58/564142958.db2.gz UIPRQEYTYXVEON-UHFFFAOYSA-N 1 2 334.423 3.926 50 0 EHAALO CC(C)(C)Oc1ccccc1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000096407018 564147374 /nfs/dbraw/zinc/14/73/74/564147374.db2.gz SVKGIZFTTNIFTJ-AWEZNQCLSA-N 1 2 342.443 3.999 50 0 EHAALO CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)[nH]1 ZINC000096489761 564148715 /nfs/dbraw/zinc/14/87/15/564148715.db2.gz PHSWWEHLYQMFCV-KRWDZBQOSA-N 1 2 331.847 3.707 50 0 EHAALO CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)[nH]1 ZINC000096489761 564148716 /nfs/dbraw/zinc/14/87/16/564148716.db2.gz PHSWWEHLYQMFCV-KRWDZBQOSA-N 1 2 331.847 3.707 50 0 EHAALO Cc1[nH+]c2n(c1C)CCN(Cc1csc(-c3ccsc3)n1)C2 ZINC000097201167 564149567 /nfs/dbraw/zinc/14/95/67/564149567.db2.gz IXTAODBERIWOCK-UHFFFAOYSA-N 1 2 330.482 3.701 50 0 EHAALO CCC[C@@H]([NH2+]Cc1ccc(Br)o1)c1nnc2ccccn21 ZINC000225636239 564150067 /nfs/dbraw/zinc/15/00/67/564150067.db2.gz YDCCGZXCTJTRCB-GFCCVEGCSA-N 1 2 349.232 3.716 50 0 EHAALO COc1ccc(/C=C2/c3ccc(Cl)cc3N(C[NH+](C)C)C2=O)cc1 ZINC000057405837 564153976 /nfs/dbraw/zinc/15/39/76/564153976.db2.gz BDMIFMLZLFBOKC-YVLHZVERSA-N 1 2 342.826 3.755 50 0 EHAALO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc(F)cc1Cl ZINC000057756060 564155671 /nfs/dbraw/zinc/15/56/71/564155671.db2.gz LDLGPTHFAFAGJW-UHFFFAOYSA-N 1 2 349.715 3.510 50 0 EHAALO O=C(c1cc2cc(Cl)ccc2o1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069662363 564171360 /nfs/dbraw/zinc/17/13/60/564171360.db2.gz SPLDXCMQPYDVCO-CQSZACIVSA-N 1 2 329.787 3.760 50 0 EHAALO Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069902334 564172747 /nfs/dbraw/zinc/17/27/47/564172747.db2.gz LGWBJOBBCQZRJU-AWEZNQCLSA-N 1 2 327.359 3.554 50 0 EHAALO Cc1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c(C)n1C1CC1 ZINC000071881432 564176379 /nfs/dbraw/zinc/17/63/79/564176379.db2.gz ZXZVDCDNGKNJSW-UHFFFAOYSA-N 1 2 348.450 3.615 50 0 EHAALO CCC[N@@H+](Cc1c[nH]nc1C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000162279573 1016400702 /nfs/dbraw/zinc/40/07/02/1016400702.db2.gz QWVQMFIICMFPHW-UHFFFAOYSA-N 1 2 345.834 3.834 50 0 EHAALO CCC[N@H+](Cc1c[nH]nc1C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000162279573 1016400705 /nfs/dbraw/zinc/40/07/05/1016400705.db2.gz QWVQMFIICMFPHW-UHFFFAOYSA-N 1 2 345.834 3.834 50 0 EHAALO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccccc1C ZINC000174896495 1036128247 /nfs/dbraw/zinc/12/82/47/1036128247.db2.gz OVERDHLHVAEVFQ-UHFFFAOYSA-N 1 2 337.467 3.769 50 0 EHAALO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n(-c2cccc(C)n2)n1 ZINC000825230889 1131258729 /nfs/dbraw/zinc/25/87/29/1131258729.db2.gz DHXJJJRWJXQCLO-SFHVURJKSA-N 1 2 333.439 3.616 50 0 EHAALO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccccc2)n(-c2cccc(C)n2)n1 ZINC000825230889 1131258733 /nfs/dbraw/zinc/25/87/33/1131258733.db2.gz DHXJJJRWJXQCLO-SFHVURJKSA-N 1 2 333.439 3.616 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000581805947 1132367737 /nfs/dbraw/zinc/36/77/37/1132367737.db2.gz IOMQYHGGSVIHHX-QGZVFWFLSA-N 1 2 335.407 3.929 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000581806108 1132368784 /nfs/dbraw/zinc/36/87/84/1132368784.db2.gz LHDZTGVHUZSSBD-GOSISDBHSA-N 1 2 346.434 3.731 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1C1CCN(C(=O)c2ccccn2)CC1 ZINC000581808552 1132371167 /nfs/dbraw/zinc/37/11/67/1132371167.db2.gz BRLMVKKUECTSQP-UHFFFAOYSA-N 1 2 346.434 3.731 50 0 EHAALO Cc1c[nH+]c(-c2ccncc2)n1[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000581808197 1132371316 /nfs/dbraw/zinc/37/13/16/1132371316.db2.gz YCVKCDHVWMCHJM-SFHVURJKSA-N 1 2 338.455 3.607 50 0 EHAALO CC(C)(C)n1cc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)nn1 ZINC000191561806 1136761230 /nfs/dbraw/zinc/76/12/30/1136761230.db2.gz OQHDCOZMMSSBLS-HNNXBMFYSA-N 1 2 334.851 3.690 50 0 EHAALO CC(C)C[C@@H](C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)n1cc[nH+]c1 ZINC000585131943 1137020964 /nfs/dbraw/zinc/02/09/64/1137020964.db2.gz KHRYTPHXBYCRFD-AWEZNQCLSA-N 1 2 347.369 3.923 50 0 EHAALO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[C@@H]2c2ccsc2)no1 ZINC000052531356 214132619 /nfs/dbraw/zinc/13/26/19/214132619.db2.gz YCLOZOSKXOUBFE-IAGOWNOFSA-N 1 2 345.468 3.545 50 0 EHAALO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N2CCC[C@@H]2c2ccsc2)no1 ZINC000052531356 214132624 /nfs/dbraw/zinc/13/26/24/214132624.db2.gz YCLOZOSKXOUBFE-IAGOWNOFSA-N 1 2 345.468 3.545 50 0 EHAALO O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000054992131 214263475 /nfs/dbraw/zinc/26/34/75/214263475.db2.gz JGAHBGGKYYVNOU-UHFFFAOYSA-N 1 2 346.430 3.905 50 0 EHAALO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(F)c(F)c1 ZINC000049580954 214019922 /nfs/dbraw/zinc/01/99/22/214019922.db2.gz IREBIZXNLBFQTF-MNOVXSKESA-N 1 2 329.350 3.613 50 0 EHAALO COc1c2c(cc3c1[C@@H](Nc1ccccc1Cl)[N@H+](C)CC3)OCO2 ZINC000004090249 210117514 /nfs/dbraw/zinc/11/75/14/210117514.db2.gz FJELQGAADOHOAC-SFHVURJKSA-N 1 2 346.814 3.676 50 0 biogenic EHAALO COc1c2c(cc3c1[C@@H](Nc1ccccc1Cl)[N@@H+](C)CC3)OCO2 ZINC000004090249 210117518 /nfs/dbraw/zinc/11/75/18/210117518.db2.gz FJELQGAADOHOAC-SFHVURJKSA-N 1 2 346.814 3.676 50 0 biogenic EHAALO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cn1nc(C(C)(C)C)ccc1=O ZINC000066792878 215079408 /nfs/dbraw/zinc/07/94/08/215079408.db2.gz DUVMCTOSKHSVMO-KRWDZBQOSA-N 1 2 325.456 3.644 50 0 EHAALO Cc1ccccc1[C@@H]1CCC[N@H+]1Cn1nc(C(C)(C)C)ccc1=O ZINC000066792878 215079410 /nfs/dbraw/zinc/07/94/10/215079410.db2.gz DUVMCTOSKHSVMO-KRWDZBQOSA-N 1 2 325.456 3.644 50 0 EHAALO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cn2c(n1)nc(C)cc2C ZINC000067446210 215147028 /nfs/dbraw/zinc/14/70/28/215147028.db2.gz GMJIJYPXYDEXGE-MRXNPFEDSA-N 1 2 326.469 3.917 50 0 EHAALO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cn2c(n1)nc(C)cc2C ZINC000067446210 215147030 /nfs/dbraw/zinc/14/70/30/215147030.db2.gz GMJIJYPXYDEXGE-MRXNPFEDSA-N 1 2 326.469 3.917 50 0 EHAALO O=C(Nc1c[nH+]c2n1CCCC2)c1csc(-c2cccs2)n1 ZINC000067740165 215199420 /nfs/dbraw/zinc/19/94/20/215199420.db2.gz BRZJBEZFZRFCGD-UHFFFAOYSA-N 1 2 330.438 3.657 50 0 EHAALO CN(Cc1ccccc1)c1[nH+]cccc1CNc1cc(C2CC2)ncn1 ZINC000067982073 215267022 /nfs/dbraw/zinc/26/70/22/215267022.db2.gz WJULRHBTLGAQRO-UHFFFAOYSA-N 1 2 345.450 3.998 50 0 EHAALO COc1ccc(Br)cc1C[N@H+](C)Cc1cnc(C)s1 ZINC000040153648 213274519 /nfs/dbraw/zinc/27/45/19/213274519.db2.gz GYARZNJRJVSQQD-UHFFFAOYSA-N 1 2 341.274 3.855 50 0 EHAALO COc1ccc(Br)cc1C[N@@H+](C)Cc1cnc(C)s1 ZINC000040153648 213274522 /nfs/dbraw/zinc/27/45/22/213274522.db2.gz GYARZNJRJVSQQD-UHFFFAOYSA-N 1 2 341.274 3.855 50 0 EHAALO Cc1ccc(-c2csc3[nH]c(C[NH+]4CCCCC4)nc(=O)c23)cc1 ZINC000036203783 213076580 /nfs/dbraw/zinc/07/65/80/213076580.db2.gz JRYINMHFXXUSOL-UHFFFAOYSA-N 1 2 339.464 3.946 50 0 EHAALO C[C@@H](c1nncn1C)n1cc[nH+]c1-c1ccccc1-c1ccccc1 ZINC000072146705 216033970 /nfs/dbraw/zinc/03/39/70/216033970.db2.gz KPGZXLLGPBRZFE-HNNXBMFYSA-N 1 2 329.407 3.955 50 0 EHAALO C[C@H]1c2cccn2CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000072281466 216109802 /nfs/dbraw/zinc/10/98/02/216109802.db2.gz ICAAZXWQJFMBLZ-HNNXBMFYSA-N 1 2 333.391 3.892 50 0 EHAALO CSc1ccc(OCC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000072304859 216142896 /nfs/dbraw/zinc/14/28/96/216142896.db2.gz XWPZTIYBBMKGNB-IBGZPJMESA-N 1 2 347.455 4.000 50 0 EHAALO CSc1ccc(OCC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000072304859 216142899 /nfs/dbraw/zinc/14/28/99/216142899.db2.gz XWPZTIYBBMKGNB-IBGZPJMESA-N 1 2 347.455 4.000 50 0 EHAALO Cc1sc2ncnc(NCCc3[nH]c4ccc(F)cc4[nH+]3)c2c1C ZINC000072313852 216149412 /nfs/dbraw/zinc/14/94/12/216149412.db2.gz ABKVNYHQMVXPNH-UHFFFAOYSA-N 1 2 341.415 3.978 50 0 EHAALO Cc1cc2nc(-c3ccccc3)cc(NCC[C@@H](C)n3cc[nH+]c3)n2n1 ZINC000072412258 216204970 /nfs/dbraw/zinc/20/49/70/216204970.db2.gz OXKZWOAMQYWJKZ-MRXNPFEDSA-N 1 2 346.438 3.964 50 0 EHAALO C[C@@H](c1cccc(-c2[nH+]ccn2Cc2cccc(C(=O)[O-])c2)c1)[NH+](C)C ZINC000072454389 216241577 /nfs/dbraw/zinc/24/15/77/216241577.db2.gz FWWFITMSIFAOMA-HNNXBMFYSA-N 1 2 349.434 3.919 50 0 EHAALO C[C@H](c1ccco1)[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000072583550 216278047 /nfs/dbraw/zinc/27/80/47/216278047.db2.gz AMRJKCUVTLZARM-GFCCVEGCSA-N 1 2 329.425 3.545 50 0 EHAALO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000072583550 216278051 /nfs/dbraw/zinc/27/80/51/216278051.db2.gz AMRJKCUVTLZARM-GFCCVEGCSA-N 1 2 329.425 3.545 50 0 EHAALO Cc1cc(NC(=O)c2ccc(C(=O)Nc3cc[nH+]c(C)c3)cc2)ccn1 ZINC000073557421 216396027 /nfs/dbraw/zinc/39/60/27/216396027.db2.gz YDUFSBIYCVZHHM-UHFFFAOYSA-N 1 2 346.390 3.598 50 0 EHAALO Cc1ncc(CN(C)C(=O)c2ccc(Oc3cc[nH+]cc3)cc2)s1 ZINC000074503621 216491736 /nfs/dbraw/zinc/49/17/36/216491736.db2.gz LOBACAKZTPBBGS-UHFFFAOYSA-N 1 2 339.420 3.911 50 0 EHAALO Cc1cc([C@H]2CCC[N@H+]2Cc2nn(C)c3cccc(Cl)c23)on1 ZINC000214974775 241099053 /nfs/dbraw/zinc/09/90/53/241099053.db2.gz FQUQDNDDPMDRAV-CQSZACIVSA-N 1 2 330.819 3.860 50 0 EHAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2nn(C)c3cccc(Cl)c23)on1 ZINC000214974775 241099059 /nfs/dbraw/zinc/09/90/59/241099059.db2.gz FQUQDNDDPMDRAV-CQSZACIVSA-N 1 2 330.819 3.860 50 0 EHAALO Cc1ccc(C[N@@H+](C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000021919496 212262610 /nfs/dbraw/zinc/26/26/10/212262610.db2.gz GHZDNAIUQLQLFO-UHFFFAOYSA-N 1 2 327.815 3.517 50 0 EHAALO Cc1ccc(C[N@H+](C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000021919496 212262612 /nfs/dbraw/zinc/26/26/12/212262612.db2.gz GHZDNAIUQLQLFO-UHFFFAOYSA-N 1 2 327.815 3.517 50 0 EHAALO Fc1cccc([C@@]2(CNc3ccc(-n4cc[nH+]c4)cc3)CCOC2)c1 ZINC000020877859 212182279 /nfs/dbraw/zinc/18/22/79/212182279.db2.gz ILKGMVXGZUMMOQ-HXUWFJFHSA-N 1 2 337.398 3.782 50 0 EHAALO O=C(NCCc1ccc(Cl)cc1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000019853386 212076102 /nfs/dbraw/zinc/07/61/02/212076102.db2.gz REYQGGRQHNSAGR-UHFFFAOYSA-N 1 2 325.799 3.703 50 0 EHAALO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019848292 212075756 /nfs/dbraw/zinc/07/57/56/212075756.db2.gz UIACFKRDXOXWCL-UHFFFAOYSA-N 1 2 349.261 3.951 50 0 EHAALO CC[N@H+](Cc1cccs1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000019537912 212041445 /nfs/dbraw/zinc/04/14/45/212041445.db2.gz VUKYHWPNJZAVBK-UHFFFAOYSA-N 1 2 333.844 3.660 50 0 EHAALO CC[N@@H+](Cc1cccs1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000019537912 212041447 /nfs/dbraw/zinc/04/14/47/212041447.db2.gz VUKYHWPNJZAVBK-UHFFFAOYSA-N 1 2 333.844 3.660 50 0 EHAALO c1sc(Cc2cn3ccccc3[nH+]2)nc1-c1ccc2c(c1)CCO2 ZINC000012525438 211398973 /nfs/dbraw/zinc/39/89/73/211398973.db2.gz NUNYUHCHXYRLNQ-UHFFFAOYSA-N 1 2 333.416 3.984 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000012506858 211394905 /nfs/dbraw/zinc/39/49/05/211394905.db2.gz SYSWTDKIERQZPC-INIZCTEOSA-N 1 2 325.799 3.593 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 ZINC000091997950 218101613 /nfs/dbraw/zinc/10/16/13/218101613.db2.gz CPPWSSKSLIDNNC-CYBMUJFWSA-N 1 2 347.846 3.585 50 0 EHAALO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCc3sccc3C2)cc1C ZINC000010093633 211147303 /nfs/dbraw/zinc/14/73/03/211147303.db2.gz AETUOIBSQJVFDJ-OAHLLOKOSA-N 1 2 328.481 3.600 50 0 EHAALO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCc3sccc3C2)cc1C ZINC000010093633 211147306 /nfs/dbraw/zinc/14/73/06/211147306.db2.gz AETUOIBSQJVFDJ-OAHLLOKOSA-N 1 2 328.481 3.600 50 0 EHAALO Cc1cccc2[nH+]c([C@@H]3CCCN(c4nnc(C5CCC5)o4)C3)[nH]c21 ZINC000095353792 218287700 /nfs/dbraw/zinc/28/77/00/218287700.db2.gz ZVTWZDCPXSJOKH-CQSZACIVSA-N 1 2 337.427 3.906 50 0 EHAALO Cc1cccc2[nH]c([C@@H]3CCCN(c4nnc(C5CCC5)o4)C3)[nH+]c21 ZINC000095353792 218287703 /nfs/dbraw/zinc/28/77/03/218287703.db2.gz ZVTWZDCPXSJOKH-CQSZACIVSA-N 1 2 337.427 3.906 50 0 EHAALO CC(C)n1cc([C@@H](C)[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)cn1 ZINC000095419873 218359993 /nfs/dbraw/zinc/35/99/93/218359993.db2.gz SXTBMXZGAXWQFX-RDTXWAMCSA-N 1 2 341.434 3.777 50 0 EHAALO Cc1[nH+]cc(CNc2ccc(N3CCOC3=O)cc2)n1-c1ccccc1 ZINC000095428582 218371325 /nfs/dbraw/zinc/37/13/25/218371325.db2.gz YQBUHZGJDQSWAQ-UHFFFAOYSA-N 1 2 348.406 3.749 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CC1CCCC1)c1ccc(Cl)cc1 ZINC000008118057 210896749 /nfs/dbraw/zinc/89/67/49/210896749.db2.gz JWQOEQZIIADUAM-KRWDZBQOSA-N 1 2 331.847 3.859 50 0 EHAALO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1ncc(-c2ccccc2)o1 ZINC000097112295 218960990 /nfs/dbraw/zinc/96/09/90/218960990.db2.gz QJXGVMGULVHUCI-CVEARBPZSA-N 1 2 341.455 3.639 50 0 EHAALO Cc1ccc(CC[C@@H](C)NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)o1 ZINC000377892234 258001866 /nfs/dbraw/zinc/00/18/66/258001866.db2.gz BMFYHDBLLAFLLY-CJNGLKHVSA-N 1 2 330.432 3.569 50 0 EHAALO CCc1ccccc1NC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000299768788 258082639 /nfs/dbraw/zinc/08/26/39/258082639.db2.gz ZDFXGBFUNBZBDI-UHFFFAOYSA-N 1 2 325.412 3.719 50 0 EHAALO Clc1ccc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1 ZINC000057380580 132200337 /nfs/dbraw/zinc/20/03/37/132200337.db2.gz NBJFXXARZFMARP-UHFFFAOYSA-N 1 2 344.871 3.667 50 0 EHAALO CC(=O)N(c1nc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)cs1)C1CC1 ZINC000071908251 563568903 /nfs/dbraw/zinc/56/89/03/563568903.db2.gz QZFURPNZIPGSFL-LBPRGKRZSA-N 1 2 347.459 3.991 50 0 EHAALO CC(=O)N(c1nc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)cs1)C1CC1 ZINC000071908251 563568905 /nfs/dbraw/zinc/56/89/05/563568905.db2.gz QZFURPNZIPGSFL-LBPRGKRZSA-N 1 2 347.459 3.991 50 0 EHAALO Cc1cccc(N2CC[N@@H+](CC(=O)c3c[nH]c4ccccc34)C[C@H]2C)c1 ZINC000013801723 563724037 /nfs/dbraw/zinc/72/40/37/563724037.db2.gz QOFSQRKKCNYIFS-QGZVFWFLSA-N 1 2 347.462 3.870 50 0 EHAALO Cc1cccc(N2CC[N@H+](CC(=O)c3c[nH]c4ccccc34)C[C@H]2C)c1 ZINC000013801723 563724041 /nfs/dbraw/zinc/72/40/41/563724041.db2.gz QOFSQRKKCNYIFS-QGZVFWFLSA-N 1 2 347.462 3.870 50 0 EHAALO c1c[nH+]c(CN2CCO[C@@H](CC(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000015063191 563774222 /nfs/dbraw/zinc/77/42/22/563774222.db2.gz XZUGBJKSPPHOPO-FQEVSTJZSA-N 1 2 347.462 3.833 50 0 EHAALO O=C(c1ccc2ccccc2c1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000016604336 563816659 /nfs/dbraw/zinc/81/66/59/563816659.db2.gz TVQUVOVYVOXDEW-UHFFFAOYSA-N 1 2 348.421 3.937 50 0 EHAALO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000016603818 563816684 /nfs/dbraw/zinc/81/66/84/563816684.db2.gz DMOCEBPUFAUPTL-UHFFFAOYSA-N 1 2 334.872 3.668 50 0 EHAALO O=C(NCCNc1cccc[nH+]1)Nc1ccc(Cl)c(Cl)c1 ZINC000024691017 563874095 /nfs/dbraw/zinc/87/40/95/563874095.db2.gz HCSBYGYEWQQSET-UHFFFAOYSA-N 1 2 325.199 3.622 50 0 EHAALO O=C(CSc1[nH+]cc2ccccn21)N[C@H]1CCCc2ccccc21 ZINC000025037805 563879963 /nfs/dbraw/zinc/87/99/63/563879963.db2.gz DSLWANPOVHOEJW-KRWDZBQOSA-N 1 2 337.448 3.620 50 0 EHAALO O=C(Cc1ccc2c(c1)CCC2)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025172599 563881959 /nfs/dbraw/zinc/88/19/59/563881959.db2.gz YFIFCSMAIYBNPR-UHFFFAOYSA-N 1 2 331.419 3.601 50 0 EHAALO C[C@@H](C(=O)NC1CCCCCC1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000027541584 563896606 /nfs/dbraw/zinc/89/66/06/563896606.db2.gz GDGWNKDBMZSWOQ-AWEZNQCLSA-N 1 2 345.512 3.956 50 0 EHAALO C[C@@H](C(=O)NC1CCCCCC1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000027541584 563896607 /nfs/dbraw/zinc/89/66/07/563896607.db2.gz GDGWNKDBMZSWOQ-AWEZNQCLSA-N 1 2 345.512 3.956 50 0 EHAALO CC[C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000029669486 563907873 /nfs/dbraw/zinc/90/78/73/563907873.db2.gz WEKJAHOHLWSHDI-FQEVSTJZSA-N 1 2 333.435 3.741 50 0 EHAALO CCCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029723183 563908185 /nfs/dbraw/zinc/90/81/85/563908185.db2.gz PCAJNRKIXXQNNS-OAHLLOKOSA-N 1 2 334.851 3.652 50 0 EHAALO CCc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)sc1C ZINC000030029579 563909380 /nfs/dbraw/zinc/90/93/80/563909380.db2.gz QNJJLOHJCHIKOK-KRWDZBQOSA-N 1 2 328.481 3.748 50 0 EHAALO CCc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)sc1C ZINC000030029579 563909381 /nfs/dbraw/zinc/90/93/81/563909381.db2.gz QNJJLOHJCHIKOK-KRWDZBQOSA-N 1 2 328.481 3.748 50 0 EHAALO CC(C)c1cc(=O)oc2cc(Oc3cc(-n4cc[nH+]c4)ncn3)ccc21 ZINC000072293755 563910716 /nfs/dbraw/zinc/91/07/16/563910716.db2.gz JVJDOQORSZRLNZ-UHFFFAOYSA-N 1 2 348.362 3.684 50 0 EHAALO CC(C)c1csc([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)n1 ZINC000072297209 563912620 /nfs/dbraw/zinc/91/26/20/563912620.db2.gz VVEOKBWPTYDIBJ-OAHLLOKOSA-N 1 2 346.500 3.649 50 0 EHAALO Cc1cnn(C2CCCC2)c1NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000048428388 563930383 /nfs/dbraw/zinc/93/03/83/563930383.db2.gz SRVXDZGFSOREPY-UHFFFAOYSA-N 1 2 337.427 3.603 50 0 EHAALO CCn1cc(C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)cn1 ZINC000096473232 563954714 /nfs/dbraw/zinc/95/47/14/563954714.db2.gz PVOJMAJPMMYBLJ-GOSISDBHSA-N 1 2 326.831 3.831 50 0 EHAALO C[C@H]([NH2+]Cc1nc2ccccc2o1)c1cccc(N2CCCC2=O)c1 ZINC000096491320 563955597 /nfs/dbraw/zinc/95/55/97/563955597.db2.gz XDQVUZMSZJNAAI-AWEZNQCLSA-N 1 2 335.407 3.805 50 0 EHAALO C[C@@H](c1[nH+]ccn1Cc1nc(-c2cccnc2)no1)c1ccccc1 ZINC000071551624 563964569 /nfs/dbraw/zinc/96/45/69/563964569.db2.gz BTMBFXZSOPWNEA-CQSZACIVSA-N 1 2 331.379 3.528 50 0 EHAALO Clc1ccc([C@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)CCO2)cc1 ZINC000071614476 563964659 /nfs/dbraw/zinc/96/46/59/563964659.db2.gz OWDPXCJYAAUJIO-GOSISDBHSA-N 1 2 343.814 3.897 50 0 EHAALO Clc1ccc([C@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CCO2)cc1 ZINC000071614476 563964660 /nfs/dbraw/zinc/96/46/60/563964660.db2.gz OWDPXCJYAAUJIO-GOSISDBHSA-N 1 2 343.814 3.897 50 0 EHAALO COc1cccc(OC)c1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071749554 563965050 /nfs/dbraw/zinc/96/50/50/563965050.db2.gz LQQFMXZALBRLMM-LJQANCHMSA-N 1 2 347.842 3.931 50 0 EHAALO COc1cccc(OC)c1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071749554 563965051 /nfs/dbraw/zinc/96/50/51/563965051.db2.gz LQQFMXZALBRLMM-LJQANCHMSA-N 1 2 347.842 3.931 50 0 EHAALO C[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1ncc(-c2ccccc2)o1 ZINC000097112316 563968037 /nfs/dbraw/zinc/96/80/37/563968037.db2.gz MDDUKBFKAGDJTC-CYBMUJFWSA-N 1 2 339.370 3.770 50 0 EHAALO COc1ccccc1OC1CN(c2cc(C)c3ccc(F)cc3[nH+]2)C1 ZINC000077323567 563969006 /nfs/dbraw/zinc/96/90/06/563969006.db2.gz LGYFVYCMRCALCY-UHFFFAOYSA-N 1 2 338.382 3.959 50 0 EHAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CC[C@@H](c2ccccc2F)C1 ZINC000077377174 563969268 /nfs/dbraw/zinc/96/92/68/563969268.db2.gz RRQCLHJYBMUKDW-CQSZACIVSA-N 1 2 335.382 3.846 50 0 EHAALO C[C@@H](CC(=O)N1CCC(Oc2ccc(Cl)cc2)CC1)n1cc[nH+]c1 ZINC000077407011 563969473 /nfs/dbraw/zinc/96/94/73/563969473.db2.gz DYZVMFGDZSMHML-AWEZNQCLSA-N 1 2 347.846 3.558 50 0 EHAALO Cc1cc(C(=O)NCC2(Cn3cc[nH+]c3)CC2)c2ccc(C)c(C)c2n1 ZINC000077438783 563969659 /nfs/dbraw/zinc/96/96/59/563969659.db2.gz JUGKOOQYNXBCBD-UHFFFAOYSA-N 1 2 348.450 3.567 50 0 EHAALO CCCOc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000077556261 563970322 /nfs/dbraw/zinc/97/03/22/563970322.db2.gz OFOMQQHTSUWEDF-CQSZACIVSA-N 1 2 347.846 3.872 50 0 EHAALO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000287065857 563971143 /nfs/dbraw/zinc/97/11/43/563971143.db2.gz NVGIFRKBGLAAMA-SNVBAGLBSA-N 1 2 347.875 3.751 50 0 EHAALO O=C1C[C@@H](n2cc[nH+]c2-c2cccnc2)CN1c1ccccc1Cl ZINC000082096505 563972162 /nfs/dbraw/zinc/97/21/62/563972162.db2.gz AXRPDGYIFVARJU-CQSZACIVSA-N 1 2 338.798 3.577 50 0 EHAALO Cc1cc(C)nc(SCc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000000081061 563974856 /nfs/dbraw/zinc/97/48/56/563974856.db2.gz UJDGHZWTARUICY-UHFFFAOYSA-N 1 2 349.257 3.796 50 0 EHAALO CC(C)(C)OC(=O)NCCC[C@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000289697737 563994671 /nfs/dbraw/zinc/99/46/71/563994671.db2.gz BQCZSCGLGBWIHH-KRWDZBQOSA-N 1 2 345.443 3.810 50 0 EHAALO Cc1noc(C)c1C[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000065487576 563998171 /nfs/dbraw/zinc/99/81/71/563998171.db2.gz GKCVCBWGOPBXMI-CQSZACIVSA-N 1 2 335.473 3.619 50 0 EHAALO Cc1noc(C)c1C[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000065487576 563998172 /nfs/dbraw/zinc/99/81/72/563998172.db2.gz GKCVCBWGOPBXMI-CQSZACIVSA-N 1 2 335.473 3.619 50 0 EHAALO Cc1cc(N2CCCCC2)nc(SCC(=O)c2ccccc2)[nH+]1 ZINC000000422137 563998513 /nfs/dbraw/zinc/99/85/13/563998513.db2.gz FRSAVKSSBUBMDE-UHFFFAOYSA-N 1 2 327.453 3.750 50 0 EHAALO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c(C)s1 ZINC000044889254 564027635 /nfs/dbraw/zinc/02/76/35/564027635.db2.gz DUROXGVVGODNDH-MRXNPFEDSA-N 1 2 325.437 3.618 50 0 EHAALO C[C@H](NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1)c1cccs1 ZINC000044950442 564027851 /nfs/dbraw/zinc/02/78/51/564027851.db2.gz DOUXDXVWKGJTDL-AWEZNQCLSA-N 1 2 344.484 3.694 50 0 EHAALO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000045914040 564028871 /nfs/dbraw/zinc/02/88/71/564028871.db2.gz YFOSJYQKTMFDIJ-WMLDXEAASA-N 1 2 343.471 3.874 50 0 EHAALO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000048364601 564031584 /nfs/dbraw/zinc/03/15/84/564031584.db2.gz HKCZOJOKADMXGD-LBPRGKRZSA-N 1 2 327.815 3.770 50 0 EHAALO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000048364601 564031585 /nfs/dbraw/zinc/03/15/85/564031585.db2.gz HKCZOJOKADMXGD-LBPRGKRZSA-N 1 2 327.815 3.770 50 0 EHAALO COc1ccc(F)c(F)c1C[N@@H+](Cc1ccncc1)C[C@H]1CCCO1 ZINC000215937095 564033686 /nfs/dbraw/zinc/03/36/86/564033686.db2.gz TUHRCIPSQVIGJV-OAHLLOKOSA-N 1 2 348.393 3.550 50 0 EHAALO COc1ccc(F)c(F)c1C[N@H+](Cc1ccncc1)C[C@H]1CCCO1 ZINC000215937095 564033687 /nfs/dbraw/zinc/03/36/87/564033687.db2.gz TUHRCIPSQVIGJV-OAHLLOKOSA-N 1 2 348.393 3.550 50 0 EHAALO Cc1nc2c(s1)[C@H]([N@H+](C)CN1C(=O)[C@H]3CCCCCC[C@@H]31)CCC2 ZINC000225413102 564046522 /nfs/dbraw/zinc/04/65/22/564046522.db2.gz GTIQTGGJLKAAGW-BHYGNILZSA-N 1 2 347.528 3.899 50 0 EHAALO Cc1nc2c(s1)[C@H]([N@@H+](C)CN1C(=O)[C@H]3CCCCCC[C@@H]31)CCC2 ZINC000225413102 564046523 /nfs/dbraw/zinc/04/65/23/564046523.db2.gz GTIQTGGJLKAAGW-BHYGNILZSA-N 1 2 347.528 3.899 50 0 EHAALO O=C(CCCn1cc[nH+]c1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000240128305 564051701 /nfs/dbraw/zinc/05/17/01/564051701.db2.gz IPMWBKDLUOBFDQ-UHFFFAOYSA-N 1 2 343.814 3.893 50 0 EHAALO OC[C@@H]([NH2+]Cc1ccc(Br)o1)c1ccc(Cl)c(F)c1 ZINC000241587949 564052043 /nfs/dbraw/zinc/05/20/43/564052043.db2.gz OYJLJOPDHVGZJA-GFCCVEGCSA-N 1 2 348.599 3.658 50 0 EHAALO COCc1noc(C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)n1 ZINC000182361473 564056350 /nfs/dbraw/zinc/05/63/50/564056350.db2.gz SIPGBAUZJUSVLS-SFHVURJKSA-N 1 2 335.407 3.516 50 0 EHAALO COCc1noc(C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)n1 ZINC000182361473 564056351 /nfs/dbraw/zinc/05/63/51/564056351.db2.gz SIPGBAUZJUSVLS-SFHVURJKSA-N 1 2 335.407 3.516 50 0 EHAALO Cc1ccc(NC(=O)[C@H]([NH2+]Cc2ccccn2)c2ccccc2)cc1 ZINC000005934532 564057087 /nfs/dbraw/zinc/05/70/87/564057087.db2.gz WBVIBVAHXRJCQU-HXUWFJFHSA-N 1 2 331.419 3.860 50 0 EHAALO Clc1ccc2[nH+]c(CSc3nnc(-c4ccco4)o3)cn2c1 ZINC000006025554 564057667 /nfs/dbraw/zinc/05/76/67/564057667.db2.gz LAEORRHHJIHNCQ-UHFFFAOYSA-N 1 2 332.772 3.923 50 0 EHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc2ncccc21 ZINC000012547760 564058963 /nfs/dbraw/zinc/05/89/63/564058963.db2.gz UUNJNXXQJRFMRU-UHFFFAOYSA-N 1 2 330.391 3.786 50 0 EHAALO c1cc2c(ncnc2N2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)s1 ZINC000012559483 564059452 /nfs/dbraw/zinc/05/94/52/564059452.db2.gz QRAHFRNAZZDXIF-LBPRGKRZSA-N 1 2 335.436 3.952 50 0 EHAALO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC(=O)Nc1nccs1 ZINC000120950661 564060611 /nfs/dbraw/zinc/06/06/11/564060611.db2.gz DIGOPXDLDJDXRK-LLVKDONJSA-N 1 2 338.502 3.663 50 0 EHAALO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC(=O)Nc1nccs1 ZINC000120950661 564060612 /nfs/dbraw/zinc/06/06/12/564060612.db2.gz DIGOPXDLDJDXRK-LLVKDONJSA-N 1 2 338.502 3.663 50 0 EHAALO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012620612 564060914 /nfs/dbraw/zinc/06/09/14/564060914.db2.gz XFHZKPZIRWGAGR-FUHIMQAGSA-N 1 2 338.451 3.784 50 0 EHAALO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000012620612 564060915 /nfs/dbraw/zinc/06/09/15/564060915.db2.gz XFHZKPZIRWGAGR-FUHIMQAGSA-N 1 2 338.451 3.784 50 0 EHAALO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc2ccccc2o1 ZINC000084594954 564068889 /nfs/dbraw/zinc/06/88/89/564068889.db2.gz KXDALEXRKOVOFO-UHFFFAOYSA-N 1 2 336.391 3.517 50 0 EHAALO COC(=O)c1ccc([C@@H](C)[N@H+](C)Cc2ccc(Br)o2)o1 ZINC000084651699 564069409 /nfs/dbraw/zinc/06/94/09/564069409.db2.gz MWAWMMQRBQFDQW-SECBINFHSA-N 1 2 342.189 3.615 50 0 EHAALO COC(=O)c1ccc([C@@H](C)[N@@H+](C)Cc2ccc(Br)o2)o1 ZINC000084651699 564069410 /nfs/dbraw/zinc/06/94/10/564069410.db2.gz MWAWMMQRBQFDQW-SECBINFHSA-N 1 2 342.189 3.615 50 0 EHAALO CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)cs1 ZINC000084800589 564070269 /nfs/dbraw/zinc/07/02/69/564070269.db2.gz LPWLJCWMMXIMCA-KBPBESRZSA-N 1 2 334.489 3.652 50 0 EHAALO CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)cs1 ZINC000084800589 564070270 /nfs/dbraw/zinc/07/02/70/564070270.db2.gz LPWLJCWMMXIMCA-KBPBESRZSA-N 1 2 334.489 3.652 50 0 EHAALO CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)cs1 ZINC000084800589 564070271 /nfs/dbraw/zinc/07/02/71/564070271.db2.gz LPWLJCWMMXIMCA-KBPBESRZSA-N 1 2 334.489 3.652 50 0 EHAALO CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)cs1 ZINC000084800589 564070272 /nfs/dbraw/zinc/07/02/72/564070272.db2.gz LPWLJCWMMXIMCA-KBPBESRZSA-N 1 2 334.489 3.652 50 0 EHAALO C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2c[nH+]c3n2CCC3)cc1 ZINC000085471584 564073470 /nfs/dbraw/zinc/07/34/70/564073470.db2.gz XZBBJGJCYGQVAU-HNNXBMFYSA-N 1 2 347.418 3.902 50 0 EHAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1ccncc1 ZINC000015863621 564077081 /nfs/dbraw/zinc/07/70/81/564077081.db2.gz PGJSABJPWYMZSL-UHFFFAOYSA-N 1 2 342.402 3.995 50 0 EHAALO Cc1ccc(NC(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000575611199 564082649 /nfs/dbraw/zinc/08/26/49/564082649.db2.gz CDDFINPAGKYNBO-GOSISDBHSA-N 1 2 325.412 3.774 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)c2cc(F)ccc2F)C1 ZINC000575616843 564083498 /nfs/dbraw/zinc/08/34/98/564083498.db2.gz KLZWPZCRXHMQIJ-AWEZNQCLSA-N 1 2 341.361 3.710 50 0 EHAALO CCOc1ccc(C(=O)N2CC[C@@H](n3c(C)[nH+]c4ccccc43)C2)cc1 ZINC000575619089 564083721 /nfs/dbraw/zinc/08/37/21/564083721.db2.gz ZSWDQDBVNIJQJA-QGZVFWFLSA-N 1 2 349.434 3.831 50 0 EHAALO Cc1nc(C(=O)Nc2ccccc2-c2cn3c([nH+]2)CCCC3)cs1 ZINC000575621561 564083886 /nfs/dbraw/zinc/08/38/86/564083886.db2.gz YOFRVLXIGYCBFJ-UHFFFAOYSA-N 1 2 338.436 3.904 50 0 EHAALO Cn1ncc2c1nc[nH+]c2N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000013013333 564086834 /nfs/dbraw/zinc/08/68/34/564086834.db2.gz DCJPQNQPFMHOOK-HNNXBMFYSA-N 1 2 339.399 3.765 50 0 EHAALO CC(C)c1noc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192077241 564089994 /nfs/dbraw/zinc/08/99/94/564089994.db2.gz HPGPYDITURIIHT-UKRRQHHQSA-N 1 2 339.798 3.605 50 0 EHAALO Cc1nnc(C[NH2+][C@@](C)(c2ccc(Br)cc2)C(C)C)o1 ZINC000192373003 564090093 /nfs/dbraw/zinc/09/00/93/564090093.db2.gz JOCWORCYFMRERH-OAHLLOKOSA-N 1 2 338.249 3.802 50 0 EHAALO Cc1cc(NC(=O)NCC(F)(F)F)ccc1Oc1cc[nH+]cc1 ZINC000192580161 564091825 /nfs/dbraw/zinc/09/18/25/564091825.db2.gz DVKJROOAXSAGCW-UHFFFAOYSA-N 1 2 325.290 3.866 50 0 EHAALO Cc1cc(NC(=O)[C@H]2CCCc3n[nH]cc32)ccc1Oc1cc[nH+]cc1 ZINC000192588205 564092104 /nfs/dbraw/zinc/09/21/04/564092104.db2.gz QRNMNHPNKLHQFZ-INIZCTEOSA-N 1 2 348.406 3.964 50 0 EHAALO CCc1cc(Cl)ccc1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000426674373 564094352 /nfs/dbraw/zinc/09/43/52/564094352.db2.gz YOYDBAHLUQBWBT-OAHLLOKOSA-N 1 2 332.835 3.909 50 0 EHAALO O=C1c2ccccc2N[C@H](c2ccc(-n3cc[nH+]c3)cc2)N1C1CC1 ZINC000007128549 564105204 /nfs/dbraw/zinc/10/52/04/564105204.db2.gz XOHYVBTYOFAHIH-IBGZPJMESA-N 1 2 330.391 3.601 50 0 EHAALO C[C@H](c1nc(C2CC2)no1)N1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000065588037 564107850 /nfs/dbraw/zinc/10/78/50/564107850.db2.gz KOWCZHGTORXSCV-ZIAGYGMSSA-N 1 2 344.434 3.526 50 0 EHAALO CCCCn1c(SCc2ccccn2)nnc1[C@H](CC)[NH+](C)C ZINC000065605433 564108149 /nfs/dbraw/zinc/10/81/49/564108149.db2.gz UMTPYZQPPIJOSW-HNNXBMFYSA-N 1 2 333.505 3.778 50 0 EHAALO C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccco1 ZINC000007523657 564109830 /nfs/dbraw/zinc/10/98/30/564109830.db2.gz QFAQFJIUJHDUOD-LJQANCHMSA-N 1 2 340.448 3.679 50 0 EHAALO C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccco1 ZINC000007523657 564109831 /nfs/dbraw/zinc/10/98/31/564109831.db2.gz QFAQFJIUJHDUOD-LJQANCHMSA-N 1 2 340.448 3.679 50 0 EHAALO Cc1ccc(-c2ccsc2C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000042513351 564111005 /nfs/dbraw/zinc/11/10/05/564111005.db2.gz KEFVJFGFFAYFEV-CQSZACIVSA-N 1 2 325.437 3.739 50 0 EHAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc(C)n3)c2C1 ZINC000071794386 564111159 /nfs/dbraw/zinc/11/11/59/564111159.db2.gz OXLQGESUNHLUAX-UHFFFAOYSA-N 1 2 346.434 3.569 50 0 EHAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc(C)n3)c2C1 ZINC000071794386 564111160 /nfs/dbraw/zinc/11/11/60/564111160.db2.gz OXLQGESUNHLUAX-UHFFFAOYSA-N 1 2 346.434 3.569 50 0 EHAALO Cc1cc(C)cc(-n2ncc3c2nc[nH+]c3N2C[C@H](C)C[C@H](C)C2)c1 ZINC000016837783 564113671 /nfs/dbraw/zinc/11/36/71/564113671.db2.gz RWWCTOJKSVZEJL-IYBDPMFKSA-N 1 2 335.455 3.915 50 0 EHAALO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1(c2ccccc2)CCC1 ZINC000089827723 564114089 /nfs/dbraw/zinc/11/40/89/564114089.db2.gz LIYBNKGOGBWARE-UHFFFAOYSA-N 1 2 349.478 3.810 50 0 EHAALO Cc1csc([C@H](NC(=O)Nc2ccc3[nH+]c(C)cn3c2)C2CC2)n1 ZINC000076069845 564115378 /nfs/dbraw/zinc/11/53/78/564115378.db2.gz UCKLCYLXZMFWAH-OAHLLOKOSA-N 1 2 341.440 3.680 50 0 EHAALO Nc1cc(CSc2nnc(NCCc3cccs3)s2)cc[nH+]1 ZINC000195500556 564123472 /nfs/dbraw/zinc/12/34/72/564123472.db2.gz SCUNVQCYGDWXGA-UHFFFAOYSA-N 1 2 349.510 3.524 50 0 EHAALO S=C(NCCCn1cc[nH+]c1)Nc1ccc(Cl)cc1Cl ZINC000008310845 564124761 /nfs/dbraw/zinc/12/47/61/564124761.db2.gz DYWLYXOJMZXNBK-UHFFFAOYSA-N 1 2 329.256 3.567 50 0 EHAALO CCc1nc(N2CCC[C@@H]2c2cc(OC)ccc2OC)cc(C)[nH+]1 ZINC000253419303 564130941 /nfs/dbraw/zinc/13/09/41/564130941.db2.gz LDPLZPMQXSAKRK-MRXNPFEDSA-N 1 2 327.428 3.706 50 0 EHAALO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccc2OC)sc1C ZINC000253427752 564131195 /nfs/dbraw/zinc/13/11/95/564131195.db2.gz DRAOWWFRRMUSCS-AWEZNQCLSA-N 1 2 346.452 3.584 50 0 EHAALO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccccc2OC)sc1C ZINC000253427752 564131196 /nfs/dbraw/zinc/13/11/96/564131196.db2.gz DRAOWWFRRMUSCS-AWEZNQCLSA-N 1 2 346.452 3.584 50 0 EHAALO COc1ccc(-c2nnc(SCc3cn4ccccc4[nH+]3)o2)cc1 ZINC000007942369 564135344 /nfs/dbraw/zinc/13/53/44/564135344.db2.gz FBLQSZLDAQQNCD-UHFFFAOYSA-N 1 2 338.392 3.685 50 0 EHAALO CCc1cc(NCc2cc[nH+]c(NC3CC3)c2)nc(-c2ccncc2)n1 ZINC000095467565 564141093 /nfs/dbraw/zinc/14/10/93/564141093.db2.gz ROWIIESZHAIBSK-UHFFFAOYSA-N 1 2 346.438 3.682 50 0 EHAALO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)nc2ccccc12 ZINC000095945703 564142202 /nfs/dbraw/zinc/14/22/02/564142202.db2.gz SMIOJILCVNCYFZ-INIZCTEOSA-N 1 2 332.831 3.806 50 0 EHAALO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)nc2ccccc12 ZINC000095945703 564142203 /nfs/dbraw/zinc/14/22/03/564142203.db2.gz SMIOJILCVNCYFZ-INIZCTEOSA-N 1 2 332.831 3.806 50 0 EHAALO CCc1nc([C@@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)no1 ZINC000095953664 564142459 /nfs/dbraw/zinc/14/24/59/564142459.db2.gz YTLYPPWDEXGXSH-GFCCVEGCSA-N 1 2 344.440 3.728 50 0 EHAALO CCc1nc([C@@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)no1 ZINC000095953664 564142460 /nfs/dbraw/zinc/14/24/60/564142460.db2.gz YTLYPPWDEXGXSH-GFCCVEGCSA-N 1 2 344.440 3.728 50 0 EHAALO O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000095957340 564142590 /nfs/dbraw/zinc/14/25/90/564142590.db2.gz HKHKGNOVDCVAFQ-KRWDZBQOSA-N 1 2 347.821 3.867 50 0 EHAALO O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000095957340 564142591 /nfs/dbraw/zinc/14/25/91/564142591.db2.gz HKHKGNOVDCVAFQ-KRWDZBQOSA-N 1 2 347.821 3.867 50 0 EHAALO CC(C)n1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)n1 ZINC000095958954 564142652 /nfs/dbraw/zinc/14/26/52/564142652.db2.gz UWODDUASBWMKTM-UHFFFAOYSA-N 1 2 329.791 3.555 50 0 EHAALO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccnc2ccccc12 ZINC000095980569 564143704 /nfs/dbraw/zinc/14/37/04/564143704.db2.gz UZSXPNSATLXIJH-UHFFFAOYSA-N 1 2 332.411 3.742 50 0 EHAALO CCCCNC(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000007985741 564161825 /nfs/dbraw/zinc/16/18/25/564161825.db2.gz UAAKLCREGONSLO-UHFFFAOYSA-N 1 2 336.439 3.565 50 0 EHAALO C[C@H](NC(=O)c1cccc2cccnc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008012732 564162139 /nfs/dbraw/zinc/16/21/39/564162139.db2.gz KQSFKUNUNUDOBR-HNNXBMFYSA-N 1 2 342.402 3.912 50 0 EHAALO Cc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(C(C)(C)C)ccc2=O)cc1 ZINC000066792354 564164099 /nfs/dbraw/zinc/16/40/99/564164099.db2.gz DRNINDXJNISGAS-KRWDZBQOSA-N 1 2 325.456 3.644 50 0 EHAALO Cc1ccc([C@@H]2CCC[N@H+]2Cn2nc(C(C)(C)C)ccc2=O)cc1 ZINC000066792354 564164100 /nfs/dbraw/zinc/16/41/00/564164100.db2.gz DRNINDXJNISGAS-KRWDZBQOSA-N 1 2 325.456 3.644 50 0 EHAALO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000008320574 564164389 /nfs/dbraw/zinc/16/43/89/564164389.db2.gz WKWMPVHESFASKG-INIZCTEOSA-N 1 2 328.437 3.726 50 0 EHAALO CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000008320574 564164390 /nfs/dbraw/zinc/16/43/90/564164390.db2.gz WKWMPVHESFASKG-INIZCTEOSA-N 1 2 328.437 3.726 50 0 EHAALO C[C@H]1C[C@H](C)CN(c2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)C1 ZINC000009518710 564173995 /nfs/dbraw/zinc/17/39/95/564173995.db2.gz YXHWPDWRDNSDTP-STQMWFEESA-N 1 2 341.846 3.951 50 0 EHAALO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccn(-c3ccccc3)n1)CCO2 ZINC000178068438 1035639515 /nfs/dbraw/zinc/63/95/15/1035639515.db2.gz YUYXPVPYZRAXET-FQEVSTJZSA-N 1 2 349.434 3.884 50 0 EHAALO CCOc1ccc2c(c1)[C@@H](Nc1cc(C)[nH+]c(C3CC3)n1)CCO2 ZINC000185939998 1127205415 /nfs/dbraw/zinc/20/54/15/1127205415.db2.gz RFNLFKZTAPZGKB-INIZCTEOSA-N 1 2 325.412 3.997 50 0 EHAALO COc1cc(C)c(-c2nc(C[NH+]3CCSCC3)c(C)o2)cc1C ZINC000012073289 1129323904 /nfs/dbraw/zinc/32/39/04/1129323904.db2.gz IACMGDGJYBZNRS-UHFFFAOYSA-N 1 2 332.469 3.824 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000581806110 1132368797 /nfs/dbraw/zinc/36/87/97/1132368797.db2.gz LHDZTGVHUZSSBD-SFHVURJKSA-N 1 2 346.434 3.731 50 0 EHAALO Cc1c[nH+]c(-c2cccnc2)n1C[C@H]1CCCN(C(=O)CC(C)C)C1 ZINC000581807187 1132369387 /nfs/dbraw/zinc/36/93/87/1132369387.db2.gz KHVNGCMJUJVKEK-KRWDZBQOSA-N 1 2 340.471 3.538 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCN(C(=O)c2cccnc2C)C1 ZINC000581807191 1132369971 /nfs/dbraw/zinc/36/99/71/1132369971.db2.gz FVBANDLAGZDRKA-GOSISDBHSA-N 1 2 346.434 3.649 50 0 EHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000581808153 1132371625 /nfs/dbraw/zinc/37/16/25/1132371625.db2.gz QNAGNSPORCNCPM-SFHVURJKSA-N 1 2 338.455 3.607 50 0 EHAALO Cc1c[nH+]c([C@@H]2CCN(C(=O)NCCc3ccccc3)C2)n1C(C)C ZINC000581816322 1132372400 /nfs/dbraw/zinc/37/24/00/1132372400.db2.gz SPOKPWYZKYJTAJ-GOSISDBHSA-N 1 2 340.471 3.514 50 0 EHAALO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000065497881 1137217711 /nfs/dbraw/zinc/21/77/11/1137217711.db2.gz QTONDIGWCRCYOZ-IBGZPJMESA-N 1 2 334.423 3.613 50 0 EHAALO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000065497881 1137217713 /nfs/dbraw/zinc/21/77/13/1137217713.db2.gz QTONDIGWCRCYOZ-IBGZPJMESA-N 1 2 334.423 3.613 50 0 EHAALO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC[C@@H]2c2ccsc2)on1 ZINC000052822290 214148654 /nfs/dbraw/zinc/14/86/54/214148654.db2.gz RUJXDPGOGMYVNL-CVEARBPZSA-N 1 2 345.468 3.545 50 0 EHAALO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N2CCC[C@@H]2c2ccsc2)on1 ZINC000052822290 214148657 /nfs/dbraw/zinc/14/86/57/214148657.db2.gz RUJXDPGOGMYVNL-CVEARBPZSA-N 1 2 345.468 3.545 50 0 EHAALO CCC[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1[nH+]ccn1C ZINC000055108792 214274703 /nfs/dbraw/zinc/27/47/03/214274703.db2.gz JNECHQWBKOPBTD-VQBCORBOSA-N 1 2 329.488 3.984 50 0 EHAALO Cc1cccc(-c2noc(C[N@H+](C)Cc3ccc(-c4cc[nH]n4)o3)n2)c1 ZINC000055343397 214309553 /nfs/dbraw/zinc/30/95/53/214309553.db2.gz ZHQLIDQWJWWDOO-UHFFFAOYSA-N 1 2 349.394 3.660 50 0 EHAALO Cc1cccc(-c2noc(C[N@@H+](C)Cc3ccc(-c4cc[nH]n4)o3)n2)c1 ZINC000055343397 214309557 /nfs/dbraw/zinc/30/95/57/214309557.db2.gz ZHQLIDQWJWWDOO-UHFFFAOYSA-N 1 2 349.394 3.660 50 0 EHAALO CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1(C)C ZINC000055816524 214343147 /nfs/dbraw/zinc/34/31/47/214343147.db2.gz UFBOUXHVXVKIOS-IEBWSBKVSA-N 1 2 342.483 3.696 50 0 EHAALO CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1(C)C ZINC000055816525 214343377 /nfs/dbraw/zinc/34/33/77/214343377.db2.gz UFBOUXHVXVKIOS-PKOBYXMFSA-N 1 2 342.483 3.696 50 0 EHAALO CC(C)=CCC[C@@]1(C)CCC(=O)N(CC2=CSC3=[NH+]CCN23)C1 ZINC000101760551 219161789 /nfs/dbraw/zinc/16/17/89/219161789.db2.gz BGJMTBZJCGKGQS-SFHVURJKSA-N 1 2 333.501 3.621 50 0 EHAALO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@H](C)C(=O)[C@H]2C)cc1 ZINC000003894946 210086872 /nfs/dbraw/zinc/08/68/72/210086872.db2.gz RVYZVGKIODSCSZ-WZBLMQSHSA-N 1 2 339.435 3.931 50 0 EHAALO CSc1ccc(C[N@H+](C)CC(=O)Nc2c(F)cccc2F)cc1 ZINC000003335533 210010970 /nfs/dbraw/zinc/01/09/70/210010970.db2.gz ZUWQYCNUFZVFOZ-UHFFFAOYSA-N 1 2 336.407 3.757 50 0 EHAALO CSc1ccc(C[N@@H+](C)CC(=O)Nc2c(F)cccc2F)cc1 ZINC000003335533 210010972 /nfs/dbraw/zinc/01/09/72/210010972.db2.gz ZUWQYCNUFZVFOZ-UHFFFAOYSA-N 1 2 336.407 3.757 50 0 EHAALO Cc1ccccc1-c1ncc(C[N@@H+](C)Cc2[nH]nc3c2CCC3)s1 ZINC000067515147 215157867 /nfs/dbraw/zinc/15/78/67/215157867.db2.gz WYBVDYWYLAEESH-UHFFFAOYSA-N 1 2 338.480 3.962 50 0 EHAALO Cc1ccccc1-c1ncc(C[N@H+](C)Cc2[nH]nc3c2CCC3)s1 ZINC000067515147 215157869 /nfs/dbraw/zinc/15/78/69/215157869.db2.gz WYBVDYWYLAEESH-UHFFFAOYSA-N 1 2 338.480 3.962 50 0 EHAALO O=C(Nc1c[nH+]c2n1CCCC2)c1csc(Cc2ccccc2)n1 ZINC000067773616 215208778 /nfs/dbraw/zinc/20/87/78/215208778.db2.gz VEBYKWTYSMKVJX-UHFFFAOYSA-N 1 2 338.436 3.519 50 0 EHAALO Cc1ccc(NC(=O)N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1C ZINC000038554660 213215340 /nfs/dbraw/zinc/21/53/40/213215340.db2.gz MFAXUCARTFCGSZ-UHFFFAOYSA-N 1 2 349.438 3.534 50 0 EHAALO CS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000072166527 216056340 /nfs/dbraw/zinc/05/63/40/216056340.db2.gz MZIZHIHMQRAMCT-LJQANCHMSA-N 1 2 347.455 3.956 50 0 EHAALO CS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000072166527 216056343 /nfs/dbraw/zinc/05/63/43/216056343.db2.gz MZIZHIHMQRAMCT-LJQANCHMSA-N 1 2 347.455 3.956 50 0 EHAALO Cc1cc(NC(=O)CCCn2cc[nH+]c2)ccc1Oc1cccnc1 ZINC000072278402 216104315 /nfs/dbraw/zinc/10/43/15/216104315.db2.gz OBELAVNPIYCIHP-UHFFFAOYSA-N 1 2 336.395 3.798 50 0 EHAALO Cc1ccc2cccc(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2n1 ZINC000072285077 216116187 /nfs/dbraw/zinc/11/61/87/216116187.db2.gz QBXUVGJHEYDTFL-HNNXBMFYSA-N 1 2 335.411 3.678 50 0 EHAALO COc1ccc([C@H]2c3[nH]c[nH+]c3CCN2CC(C)(C)C)c(F)c1F ZINC000072420535 216209343 /nfs/dbraw/zinc/20/93/43/216209343.db2.gz WLUXNGYAGNHTIP-KRWDZBQOSA-N 1 2 335.398 3.690 50 0 EHAALO O=[S@@](Cc1[nH+]ccn1Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000072910034 216327119 /nfs/dbraw/zinc/32/71/19/216327119.db2.gz ZLEDQPJSIOVGBQ-DEOSSOPVSA-N 1 2 346.402 3.659 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(C)cc1)[NH+]1CCCCC1)S2 ZINC000023156838 212356635 /nfs/dbraw/zinc/35/66/35/212356635.db2.gz UOINFQRIAUZIPL-OAHLLOKOSA-N 1 2 342.468 3.689 50 0 EHAALO O=Cc1c(C[NH+]2CCOCC2)c(-c2ccccc2)[nH]c1-c1ccccc1 ZINC000022521210 212305029 /nfs/dbraw/zinc/30/50/29/212305029.db2.gz YXBQNOPMHKFGHE-UHFFFAOYSA-N 1 2 346.430 3.993 50 0 EHAALO Cc1nnc([C@H]2CCC[N@@H+]2Cc2cnc(-c3ccccc3C)s2)[nH]1 ZINC000215743546 241142409 /nfs/dbraw/zinc/14/24/09/241142409.db2.gz OISTYOXZSXONMU-MRXNPFEDSA-N 1 2 339.468 3.882 50 0 EHAALO Cc1nnc([C@H]2CCC[N@H+]2Cc2cnc(-c3ccccc3C)s2)[nH]1 ZINC000215743546 241142413 /nfs/dbraw/zinc/14/24/13/241142413.db2.gz OISTYOXZSXONMU-MRXNPFEDSA-N 1 2 339.468 3.882 50 0 EHAALO CCCCN1c2ccccc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000020064262 212098908 /nfs/dbraw/zinc/09/89/08/212098908.db2.gz IRGKAQAPZJMEGP-JOCHJYFZSA-N 1 2 345.446 3.704 50 0 EHAALO CSc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000019841892 212074932 /nfs/dbraw/zinc/07/49/32/212074932.db2.gz YYOPYTVYCPQLAZ-UHFFFAOYSA-N 1 2 344.455 3.506 50 0 EHAALO O=C(c1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019790143 212066379 /nfs/dbraw/zinc/06/63/79/212066379.db2.gz RKWPRPCRMKIWQQ-UHFFFAOYSA-N 1 2 349.261 3.951 50 0 EHAALO Cc1ccc(Cn2c3ccccc3n(C[C@H](O)c3ccco3)c2=[NH2+])cc1 ZINC000019708584 212055944 /nfs/dbraw/zinc/05/59/44/212055944.db2.gz MJOZOYUYIBMKAO-IBGZPJMESA-N 1 2 347.418 3.606 50 0 EHAALO O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019620057 212051194 /nfs/dbraw/zinc/05/11/94/212051194.db2.gz KSQYRIQHSOTFIS-UHFFFAOYSA-N 1 2 349.261 3.951 50 0 EHAALO O=C(/C=C/c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019594713 212049958 /nfs/dbraw/zinc/04/99/58/212049958.db2.gz FSYSSVWBDAYUEO-MZXMXVKLSA-N 1 2 332.447 3.557 50 0 EHAALO CCCC12CN3CC(CCC)(C[NH+](C1)C3c1ccc(C)cc1)C2=O ZINC000019323260 212015202 /nfs/dbraw/zinc/01/52/02/212015202.db2.gz RRQGXTVLJKQUQL-UHFFFAOYSA-N 1 2 326.484 3.781 50 0 biogenic EHAALO Cc1c(C)n(-c2cccc(C)n2)c2nc[nH+]c(NCc3ccncc3)c12 ZINC000012324527 211347938 /nfs/dbraw/zinc/34/79/38/211347938.db2.gz LDZNIVIADJWYQA-UHFFFAOYSA-N 1 2 344.422 3.748 50 0 EHAALO Cc1[nH+]c[nH]c1CSCCNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000091452239 218009318 /nfs/dbraw/zinc/00/93/18/218009318.db2.gz CRCSANJXLALGDE-UHFFFAOYSA-N 1 2 347.528 3.674 50 0 EHAALO O=C(C[C@@H]1CCc2ccccc21)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000091586831 218025822 /nfs/dbraw/zinc/02/58/22/218025822.db2.gz VPAIRXWOXBDCHG-KRWDZBQOSA-N 1 2 335.451 3.605 50 0 EHAALO O=C(C[C@@H]1CCc2ccccc21)NCc1ccccc1-n1cc[nH+]c1 ZINC000091594454 218028156 /nfs/dbraw/zinc/02/81/56/218028156.db2.gz HVTQMANDSLLSCS-KRWDZBQOSA-N 1 2 331.419 3.609 50 0 EHAALO CC(C)c1nsc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000092693633 218158768 /nfs/dbraw/zinc/15/87/68/218158768.db2.gz PSXMOKLBUKNIKG-UONOGXRCSA-N 1 2 338.427 3.797 50 0 EHAALO CC(C)c1nsc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000092693633 218158771 /nfs/dbraw/zinc/15/87/71/218158771.db2.gz PSXMOKLBUKNIKG-UONOGXRCSA-N 1 2 338.427 3.797 50 0 EHAALO Cc1ccc([C@H]2C[N@H+](Cc3cnc(-c4cccnc4)s3)CCO2)o1 ZINC000093864704 218253888 /nfs/dbraw/zinc/25/38/88/218253888.db2.gz QPFHZRPUWJPVMI-QGZVFWFLSA-N 1 2 341.436 3.680 50 0 EHAALO Cc1ccc([C@H]2C[N@@H+](Cc3cnc(-c4cccnc4)s3)CCO2)o1 ZINC000093864704 218253890 /nfs/dbraw/zinc/25/38/90/218253890.db2.gz QPFHZRPUWJPVMI-QGZVFWFLSA-N 1 2 341.436 3.680 50 0 EHAALO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000009114559 211042067 /nfs/dbraw/zinc/04/20/67/211042067.db2.gz WYXZMDCSHGHIJK-UHFFFAOYSA-N 1 2 348.450 3.560 50 0 EHAALO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000009114559 211042073 /nfs/dbraw/zinc/04/20/73/211042073.db2.gz WYXZMDCSHGHIJK-UHFFFAOYSA-N 1 2 348.450 3.560 50 0 EHAALO CSc1ncccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C(C)C)C1 ZINC000095375539 218308207 /nfs/dbraw/zinc/30/82/07/218308207.db2.gz DYPCDGJGFSVBSL-CQSZACIVSA-N 1 2 344.484 3.601 50 0 EHAALO FC(F)(F)Cn1cc[nH+]c1CSCc1cccc2c1OCCO2 ZINC000095403754 218338957 /nfs/dbraw/zinc/33/89/57/218338957.db2.gz ZJHSTPMIQBORIO-UHFFFAOYSA-N 1 2 344.358 3.650 50 0 EHAALO Cc1cc2ccccc2[nH+]c1NC1CCN(C(=O)c2ccco2)CC1 ZINC000095426072 218368510 /nfs/dbraw/zinc/36/85/10/218368510.db2.gz MEHVSEZAORVTAK-UHFFFAOYSA-N 1 2 335.407 3.853 50 0 EHAALO CCCn1cc[nH+]c1-c1cccc(NCc2cc(C(N)=O)cs2)c1 ZINC000095429358 218371674 /nfs/dbraw/zinc/37/16/74/218371674.db2.gz FXTFVVPTWKESFK-UHFFFAOYSA-N 1 2 340.452 3.733 50 0 EHAALO CC(=O)N1CCCc2cc(NCc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC000095428966 218371826 /nfs/dbraw/zinc/37/18/26/218371826.db2.gz IMEZTVVXNDYKSZ-UHFFFAOYSA-N 1 2 346.434 3.784 50 0 EHAALO Cc1[nH+]c2cc(NC(=O)c3ccc(-c4cnccn4)cc3)ccc2n1C ZINC000095433880 218376955 /nfs/dbraw/zinc/37/69/55/218376955.db2.gz LBBVNVMKYJTDEU-UHFFFAOYSA-N 1 2 343.390 3.591 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)CC1CCCC1)c1ccc(Cl)cc1 ZINC000008118056 210896712 /nfs/dbraw/zinc/89/67/12/210896712.db2.gz JWQOEQZIIADUAM-QGZVFWFLSA-N 1 2 331.847 3.859 50 0 EHAALO CN(C(=O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000097473562 219027589 /nfs/dbraw/zinc/02/75/89/219027589.db2.gz WIJNTDPWDACGCA-UHFFFAOYSA-N 1 2 344.267 3.545 50 0 EHAALO CN(C(=O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000097473562 219027594 /nfs/dbraw/zinc/02/75/94/219027594.db2.gz WIJNTDPWDACGCA-UHFFFAOYSA-N 1 2 344.267 3.545 50 0 EHAALO COc1cccc([C@H]2CCN2C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000097506036 219031584 /nfs/dbraw/zinc/03/15/84/219031584.db2.gz HXXRKSQPGIYFFT-GOSISDBHSA-N 1 2 333.391 3.673 50 0 EHAALO Cc1ccc(CC[C@@H](C)NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)o1 ZINC000377892235 258001888 /nfs/dbraw/zinc/00/18/88/258001888.db2.gz BMFYHDBLLAFLLY-CZUORRHYSA-N 1 2 330.432 3.569 50 0 EHAALO Cc1ccc(-c2cn(CC(=O)c3cccc(Cl)c3)c(=[NH2+])n2C)cc1 ZINC000334157509 258004796 /nfs/dbraw/zinc/00/47/96/258004796.db2.gz DQWSGVMOZDHEIK-UHFFFAOYSA-N 1 2 339.826 3.818 50 0 EHAALO Cc1noc(C)c1-c1cccc(C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000299779584 258088687 /nfs/dbraw/zinc/08/86/87/258088687.db2.gz WEGXNDIZHJJRJJ-UHFFFAOYSA-N 1 2 335.407 3.900 50 0 EHAALO O=C(CCc1ccccc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000040122072 258059736 /nfs/dbraw/zinc/05/97/36/258059736.db2.gz SROLWXFOFFCBLK-UHFFFAOYSA-N 1 2 337.467 3.711 50 0 EHAALO Cc1cccc(-n2cc(C[N@H+](C)Cc3cc(C(C)(C)C)n[nH]3)cn2)c1 ZINC000215975830 258072314 /nfs/dbraw/zinc/07/23/14/258072314.db2.gz OLIJZXARFBHTHM-UHFFFAOYSA-N 1 2 337.471 3.833 50 0 EHAALO Cc1cccc(-n2cc(C[N@@H+](C)Cc3cc(C(C)(C)C)n[nH]3)cn2)c1 ZINC000215975830 258072315 /nfs/dbraw/zinc/07/23/15/258072315.db2.gz OLIJZXARFBHTHM-UHFFFAOYSA-N 1 2 337.471 3.833 50 0 EHAALO Cc1cc(C)c(NC(=O)N(Cc2cccc(O)c2)C2CC2)c(C)[nH+]1 ZINC000299768680 258082625 /nfs/dbraw/zinc/08/26/25/258082625.db2.gz LTIGPBCLARVSTQ-UHFFFAOYSA-N 1 2 325.412 3.909 50 0 EHAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000055301261 132194885 /nfs/dbraw/zinc/19/48/85/132194885.db2.gz YPDRJNMYADWLBC-UHFFFAOYSA-N 1 2 345.446 3.601 50 0 EHAALO C[C@@H]1C[C@H](C)CN(c2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)C1 ZINC000017245004 135711769 /nfs/dbraw/zinc/71/17/69/135711769.db2.gz YXHWPDWRDNSDTP-BETUJISGSA-N 1 2 341.846 3.951 50 0 EHAALO Cc1cccc(-n2ncc3c2nc[nH+]c3NCc2ccc(F)cc2)c1 ZINC000000426475 563310113 /nfs/dbraw/zinc/31/01/13/563310113.db2.gz XWLTVLWNCCPMKG-UHFFFAOYSA-N 1 2 333.370 3.875 50 0 EHAALO COc1ccc(-n2ncc3c2nc[nH+]c3NC2CCCCCC2)cc1 ZINC000000426502 563310598 /nfs/dbraw/zinc/31/05/98/563310598.db2.gz PJLFCYBFYWLIIY-UHFFFAOYSA-N 1 2 337.427 3.959 50 0 EHAALO O[C@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000071889672 563416811 /nfs/dbraw/zinc/41/68/11/563416811.db2.gz MVRMZGVCHHYLKN-QGZVFWFLSA-N 1 2 347.846 3.546 50 0 EHAALO COc1cccc(NC2CC[NH+]([C@@H](C)c3nc(C4CC4)no3)CC2)c1 ZINC000071893676 563487464 /nfs/dbraw/zinc/48/74/64/563487464.db2.gz PASUXRNVYAJIJU-ZDUSSCGKSA-N 1 2 342.443 3.593 50 0 EHAALO Cc1cnc([C@@H]([NH2+]Cc2nnc(-c3cccs3)o2)C2CC2)s1 ZINC000097374410 563599771 /nfs/dbraw/zinc/59/97/71/563599771.db2.gz JEIQFOJGUDCCAR-ZDUSSCGKSA-N 1 2 332.454 3.804 50 0 EHAALO Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000024979122 563878812 /nfs/dbraw/zinc/87/88/12/563878812.db2.gz YFXABPWJQQGPAV-AWEZNQCLSA-N 1 2 329.469 3.936 50 0 EHAALO Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000024979122 563878815 /nfs/dbraw/zinc/87/88/15/563878815.db2.gz YFXABPWJQQGPAV-AWEZNQCLSA-N 1 2 329.469 3.936 50 0 EHAALO Cc1noc([C@H](C)[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)n1 ZINC000026646604 563892535 /nfs/dbraw/zinc/89/25/35/563892535.db2.gz DDWBTVKSOHHTTR-AWEZNQCLSA-N 1 2 327.428 3.651 50 0 EHAALO Cc1noc([C@@H](C)[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)n1 ZINC000026646600 563892600 /nfs/dbraw/zinc/89/26/00/563892600.db2.gz DDWBTVKSOHHTTR-CQSZACIVSA-N 1 2 327.428 3.651 50 0 EHAALO C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2F)[C@H](c2ccccc2)C1 ZINC000030030123 563909416 /nfs/dbraw/zinc/90/94/16/563909416.db2.gz SRUHWXZUPWPKRG-KRWDZBQOSA-N 1 2 332.806 3.608 50 0 EHAALO C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2F)[C@H](c2ccccc2)C1 ZINC000030030123 563909417 /nfs/dbraw/zinc/90/94/17/563909417.db2.gz SRUHWXZUPWPKRG-KRWDZBQOSA-N 1 2 332.806 3.608 50 0 EHAALO Cc1ccc2[nH]c(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cc2c1 ZINC000030216957 563909598 /nfs/dbraw/zinc/90/95/98/563909598.db2.gz FODVBDNGNKHNPR-UHFFFAOYSA-N 1 2 344.418 3.651 50 0 EHAALO Cc1ncc([C@H](C)[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)s1 ZINC000096485583 563955475 /nfs/dbraw/zinc/95/54/75/563955475.db2.gz QQQSWVGUSLEKAY-KSSFIOAISA-N 1 2 343.496 3.856 50 0 EHAALO C/C(=C\c1ccccc1)[C@H]1CC(=O)NCc2[nH+]c3c(C)cccn3c21 ZINC000065375877 563958909 /nfs/dbraw/zinc/95/89/09/563958909.db2.gz JMGNZBPBXLMLFM-GSPCDJLXSA-N 1 2 331.419 3.850 50 0 EHAALO Cc1cc(NCc2ccccc2-n2cc[nH+]c2)nc(-c2cccnc2)n1 ZINC000065393580 563959421 /nfs/dbraw/zinc/95/94/21/563959421.db2.gz XNXABIWYQPAKJI-UHFFFAOYSA-N 1 2 342.406 3.645 50 0 EHAALO Cc1ccccc1NC(=O)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000033071713 563963386 /nfs/dbraw/zinc/96/33/86/563963386.db2.gz CJXXZAIEJOLZGL-HNNXBMFYSA-N 1 2 334.423 3.726 50 0 EHAALO Cc1cc(C)c(-c2[nH+]ccn2Cc2ccncc2)c(-n2cccn2)c1 ZINC000071746724 563964946 /nfs/dbraw/zinc/96/49/46/563964946.db2.gz HSLQMVMCLLPULW-UHFFFAOYSA-N 1 2 329.407 3.796 50 0 EHAALO O=C(c1csc(-c2cccs2)n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075553084 563967346 /nfs/dbraw/zinc/96/73/46/563967346.db2.gz XMSXNYXFYSOKBL-NSHDSACASA-N 1 2 344.465 3.615 50 0 EHAALO CC(C)(C)C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)C(F)(F)F ZINC000097136417 563968131 /nfs/dbraw/zinc/96/81/31/563968131.db2.gz OBQRVNPPCMBTDX-ZDUSSCGKSA-N 1 2 346.397 3.597 50 0 EHAALO Clc1cc2cccnc2c(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000097199891 563973268 /nfs/dbraw/zinc/97/32/68/563973268.db2.gz JIHNRTZKSNAUJN-HNNXBMFYSA-N 1 2 345.855 3.918 50 0 EHAALO Clc1cc2cccnc2c(C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000097199891 563973269 /nfs/dbraw/zinc/97/32/69/563973269.db2.gz JIHNRTZKSNAUJN-HNNXBMFYSA-N 1 2 345.855 3.918 50 0 EHAALO COc1cccc2c1OC[C@H](Cc1ccc(Cn3cc[nH+]c3)cc1)C2 ZINC000095504464 563977081 /nfs/dbraw/zinc/97/70/81/563977081.db2.gz SRKLFMDTKPQGPR-GOSISDBHSA-N 1 2 334.419 3.734 50 0 EHAALO COc1ccc(C(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)cc1C ZINC000095520013 563977360 /nfs/dbraw/zinc/97/73/60/563977360.db2.gz LJGQLWBZWFUKJX-UHFFFAOYSA-N 1 2 341.455 3.801 50 0 EHAALO Cc1cc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000060861612 563983329 /nfs/dbraw/zinc/98/33/29/563983329.db2.gz WRKBAPXHMQVCAY-QFBILLFUSA-N 1 2 346.434 3.813 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C)C1)S2 ZINC000033848671 563994624 /nfs/dbraw/zinc/99/46/24/563994624.db2.gz PHZLPHZRJXZEJO-SWLSCSKDSA-N 1 2 342.468 3.626 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[N@H+]1CCC[C@H](C)C1)S2 ZINC000033848671 563994625 /nfs/dbraw/zinc/99/46/25/563994625.db2.gz PHZLPHZRJXZEJO-SWLSCSKDSA-N 1 2 342.468 3.626 50 0 EHAALO O=C(CCc1c[nH+]c[nH]1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000189053652 564014536 /nfs/dbraw/zinc/01/45/36/564014536.db2.gz DRFIUPFGXOZZAZ-LJQANCHMSA-N 1 2 339.826 3.902 50 0 EHAALO O=C(CCc1c[nH]c[nH+]1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000189053652 564014537 /nfs/dbraw/zinc/01/45/37/564014537.db2.gz DRFIUPFGXOZZAZ-LJQANCHMSA-N 1 2 339.826 3.902 50 0 EHAALO CC(C)(C)c1nnc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)o1 ZINC000044914534 564027729 /nfs/dbraw/zinc/02/77/29/564027729.db2.gz QHXXWYRDITYEEX-CYBMUJFWSA-N 1 2 335.473 3.610 50 0 EHAALO CC(C)(C)c1nnc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)o1 ZINC000044914534 564027730 /nfs/dbraw/zinc/02/77/30/564027730.db2.gz QHXXWYRDITYEEX-CYBMUJFWSA-N 1 2 335.473 3.610 50 0 EHAALO Cc1ccc(-n2nnnc2C2([NH2+]Cc3ccco3)CCCCC2)cc1 ZINC000046078303 564029512 /nfs/dbraw/zinc/02/95/12/564029512.db2.gz CKQBUDALSBPRML-UHFFFAOYSA-N 1 2 337.427 3.513 50 0 EHAALO CCOc1cccc(C[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)c1 ZINC000048710538 564032083 /nfs/dbraw/zinc/03/20/83/564032083.db2.gz YQYWUGPHQQCZTF-LJQANCHMSA-N 1 2 339.414 3.837 50 0 EHAALO Cn1cc[nH+]c1CN(C(=O)c1cccc(-c2ccccc2)c1)C1CC1 ZINC000220741657 564036012 /nfs/dbraw/zinc/03/60/12/564036012.db2.gz UJDMVRSNESUESQ-UHFFFAOYSA-N 1 2 331.419 3.892 50 0 EHAALO Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@H]3c3ccc(Cl)cc3)nc12 ZINC000225438195 564046751 /nfs/dbraw/zinc/04/67/51/564046751.db2.gz RPXJKQRGROYXTK-KRWDZBQOSA-N 1 2 339.826 3.603 50 0 EHAALO Cc1cccn2c(=O)cc(C[N@H+]3CC[C@H]3c3ccc(Cl)cc3)nc12 ZINC000225438195 564046752 /nfs/dbraw/zinc/04/67/52/564046752.db2.gz RPXJKQRGROYXTK-KRWDZBQOSA-N 1 2 339.826 3.603 50 0 EHAALO O=C(NC[C@H](c1ccsc1)[NH+]1CCC1)c1ccc(Cl)s1 ZINC000225593547 564050996 /nfs/dbraw/zinc/05/09/96/564050996.db2.gz DJYLQMZHTVIIBI-LLVKDONJSA-N 1 2 326.874 3.640 50 0 EHAALO C[N@@H+]1CCc2c(sc3[nH]c(=S)n(C4CCCCC4)c(=O)c23)C1 ZINC000019074599 564053273 /nfs/dbraw/zinc/05/32/73/564053273.db2.gz URZQTONFVHKNSO-UHFFFAOYSA-N 1 2 335.498 3.614 50 0 EHAALO C[N@H+]1CCc2c(sc3[nH]c(=S)n(C4CCCCC4)c(=O)c23)C1 ZINC000019074599 564053274 /nfs/dbraw/zinc/05/32/74/564053274.db2.gz URZQTONFVHKNSO-UHFFFAOYSA-N 1 2 335.498 3.614 50 0 EHAALO O=C(N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1cc(Cl)ccc1F ZINC000012532070 564058296 /nfs/dbraw/zinc/05/82/96/564058296.db2.gz OJYAMJPTAKCJPY-INIZCTEOSA-N 1 2 343.789 3.916 50 0 EHAALO CCCN(Cc1[nH+]ccn1C)C(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000534642941 564061302 /nfs/dbraw/zinc/06/13/02/564061302.db2.gz QVWRSWMQJICMPO-HNNXBMFYSA-N 1 2 344.459 3.502 50 0 EHAALO Cc1c[nH+]ccc1NC(=O)N1CCC(COc2ccccc2)CC1 ZINC000121077310 564063399 /nfs/dbraw/zinc/06/33/99/564063399.db2.gz FWCDRDLIOTYFDA-UHFFFAOYSA-N 1 2 325.412 3.713 50 0 EHAALO Cc1occc1C(=O)N1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000084041804 564065891 /nfs/dbraw/zinc/06/58/91/564065891.db2.gz DFUIXNRVFSXAAD-GOSISDBHSA-N 1 2 344.842 3.687 50 0 EHAALO CC(C)(C)SCC(=O)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000084240940 564067478 /nfs/dbraw/zinc/06/74/78/564067478.db2.gz BHWAKVLVNMQZOS-OAHLLOKOSA-N 1 2 329.469 3.545 50 0 EHAALO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000012785064 564070242 /nfs/dbraw/zinc/07/02/42/564070242.db2.gz SJHNVOVXDVJUNX-KGLIPLIRSA-N 1 2 344.480 3.553 50 0 EHAALO COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000012785064 564070243 /nfs/dbraw/zinc/07/02/43/564070243.db2.gz SJHNVOVXDVJUNX-KGLIPLIRSA-N 1 2 344.480 3.553 50 0 EHAALO O=C(NCCCn1cc[nH+]c1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000085555037 564073879 /nfs/dbraw/zinc/07/38/79/564073879.db2.gz RKBXLILFTAPTBG-UHFFFAOYSA-N 1 2 341.361 3.648 50 0 EHAALO O=C(Nc1ccc(-c2c[nH+]c3n2CCC3)cc1)c1cc(C2CC2)on1 ZINC000085556851 564073983 /nfs/dbraw/zinc/07/39/83/564073983.db2.gz MOPKDLIIRXTZRK-UHFFFAOYSA-N 1 2 334.379 3.614 50 0 EHAALO CCn1cc[nH+]c1CNc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000089310027 564089649 /nfs/dbraw/zinc/08/96/49/564089649.db2.gz XSVHDYDHHGRLGD-UHFFFAOYSA-N 1 2 330.432 3.540 50 0 EHAALO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000075605030 564089765 /nfs/dbraw/zinc/08/97/65/564089765.db2.gz RRNZBQJZBFTFIU-ZDUSSCGKSA-N 1 2 330.819 3.860 50 0 EHAALO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000075605030 564089766 /nfs/dbraw/zinc/08/97/66/564089766.db2.gz RRNZBQJZBFTFIU-ZDUSSCGKSA-N 1 2 330.819 3.860 50 0 EHAALO Cc1ccccc1Cn1cc[nH+]c1CN(CC1CC1)C(=O)NC(C)C ZINC000035979847 564093227 /nfs/dbraw/zinc/09/32/27/564093227.db2.gz FDHGHLYYQHEALN-UHFFFAOYSA-N 1 2 340.471 3.570 50 0 EHAALO Cc1cc(C[C@H](C)NC(=O)c2ccc(-c3cc(C)[nH+]c(C)c3)cc2)[nH]n1 ZINC000426359628 564093467 /nfs/dbraw/zinc/09/34/67/564093467.db2.gz NBMOAIFXADOIRA-HNNXBMFYSA-N 1 2 348.450 3.758 50 0 EHAALO CCCn1c2ccccc2[nH+]c1NCc1cc(OC)c(O)c(OC)c1 ZINC000006752536 564097183 /nfs/dbraw/zinc/09/71/83/564097183.db2.gz BXNHIEFYBDEXEC-UHFFFAOYSA-N 1 2 341.411 3.781 50 0 EHAALO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccccc1F ZINC000006912821 564101270 /nfs/dbraw/zinc/10/12/70/564101270.db2.gz VOSGUNQLJCPMGS-UHFFFAOYSA-N 1 2 336.794 3.558 50 0 EHAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000006912821 564101271 /nfs/dbraw/zinc/10/12/71/564101271.db2.gz VOSGUNQLJCPMGS-UHFFFAOYSA-N 1 2 336.794 3.558 50 0 EHAALO Cc1ccc([C@H](C)[NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)o1 ZINC000170077272 564105295 /nfs/dbraw/zinc/10/52/95/564105295.db2.gz WWQDGCLAONUPKD-LBPRGKRZSA-N 1 2 341.436 3.661 50 0 EHAALO Cc1cncc(C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000372511503 564105779 /nfs/dbraw/zinc/10/57/79/564105779.db2.gz GZUCNEMZIDSGIY-KRWDZBQOSA-N 1 2 334.366 3.565 50 0 EHAALO Cc1cncc(C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1 ZINC000372511503 564105780 /nfs/dbraw/zinc/10/57/80/564105780.db2.gz GZUCNEMZIDSGIY-KRWDZBQOSA-N 1 2 334.366 3.565 50 0 EHAALO O=C(NCCCn1cc[nH+]c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000065523667 564106898 /nfs/dbraw/zinc/10/68/98/564106898.db2.gz RMRLKPDWEFMLLT-UHFFFAOYSA-N 1 2 348.450 3.685 50 0 EHAALO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)on1 ZINC000007363067 564107526 /nfs/dbraw/zinc/10/75/26/564107526.db2.gz LEDLLBLDXQGLIY-GFCCVEGCSA-N 1 2 333.457 3.809 50 0 EHAALO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)on1 ZINC000007363067 564107527 /nfs/dbraw/zinc/10/75/27/564107527.db2.gz LEDLLBLDXQGLIY-GFCCVEGCSA-N 1 2 333.457 3.809 50 0 EHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)Nc1ccccc1Cl ZINC000013324809 564111489 /nfs/dbraw/zinc/11/14/89/564111489.db2.gz HQOULLVTLCFJES-UHFFFAOYSA-N 1 2 345.830 3.816 50 0 EHAALO O=C(Nc1cccc2ccccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000013325059 564111527 /nfs/dbraw/zinc/11/15/27/564111527.db2.gz KREODEHJBXXQGI-UHFFFAOYSA-N 1 2 346.434 3.585 50 0 EHAALO Cc1ccc(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000013325019 564111541 /nfs/dbraw/zinc/11/15/41/564111541.db2.gz VJEAECANPRMXJN-UHFFFAOYSA-N 1 2 339.439 3.780 50 0 EHAALO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC[C@H]2c2ccsc2)no1 ZINC000252498258 564119732 /nfs/dbraw/zinc/11/97/32/564119732.db2.gz YCLOZOSKXOUBFE-IRXDYDNUSA-N 1 2 345.468 3.545 50 0 EHAALO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N2CCC[C@H]2c2ccsc2)no1 ZINC000252498258 564119733 /nfs/dbraw/zinc/11/97/33/564119733.db2.gz YCLOZOSKXOUBFE-IRXDYDNUSA-N 1 2 345.468 3.545 50 0 EHAALO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCCCCC1 ZINC000007779696 564123128 /nfs/dbraw/zinc/12/31/28/564123128.db2.gz LKIUHSDLVJGXOE-INIZCTEOSA-N 1 2 343.496 3.836 50 0 EHAALO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCCCCC1 ZINC000007779696 564123129 /nfs/dbraw/zinc/12/31/29/564123129.db2.gz LKIUHSDLVJGXOE-INIZCTEOSA-N 1 2 343.496 3.836 50 0 EHAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1cccc(Cl)c1 ZINC000007878937 564124318 /nfs/dbraw/zinc/12/43/18/564124318.db2.gz FYQKCMAZPVAYPY-LBPRGKRZSA-N 1 2 334.872 3.637 50 0 EHAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1cccc(Cl)c1 ZINC000007878937 564124319 /nfs/dbraw/zinc/12/43/19/564124319.db2.gz FYQKCMAZPVAYPY-LBPRGKRZSA-N 1 2 334.872 3.637 50 0 EHAALO Cn1c[nH+]cc1CCC(=O)N(Cc1ccccc1F)C1CCCCC1 ZINC000280592618 564141851 /nfs/dbraw/zinc/14/18/51/564141851.db2.gz TWRPWTMVBKTATG-UHFFFAOYSA-N 1 2 343.446 3.853 50 0 EHAALO C[C@@H](C(=O)Nc1ccccc1C(C)(C)C)[N@@H+]1CCOC2(CCC2)C1 ZINC000095980472 564143671 /nfs/dbraw/zinc/14/36/71/564143671.db2.gz UWKVMZAWMMKYDM-HNNXBMFYSA-N 1 2 330.472 3.566 50 0 EHAALO C[C@@H](C(=O)Nc1ccccc1C(C)(C)C)[N@H+]1CCOC2(CCC2)C1 ZINC000095980472 564143672 /nfs/dbraw/zinc/14/36/72/564143672.db2.gz UWKVMZAWMMKYDM-HNNXBMFYSA-N 1 2 330.472 3.566 50 0 EHAALO CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000057713576 564155556 /nfs/dbraw/zinc/15/55/56/564155556.db2.gz CZPYOIBFTBPPKG-SWLSCSKDSA-N 1 2 348.434 3.836 50 0 EHAALO CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000057713576 564155557 /nfs/dbraw/zinc/15/55/57/564155557.db2.gz CZPYOIBFTBPPKG-SWLSCSKDSA-N 1 2 348.434 3.836 50 0 EHAALO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008473820 564165376 /nfs/dbraw/zinc/16/53/76/564165376.db2.gz OAGFPWHFJYCLMV-LLVKDONJSA-N 1 2 340.851 3.677 50 0 EHAALO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008473820 564165377 /nfs/dbraw/zinc/16/53/77/564165377.db2.gz OAGFPWHFJYCLMV-LLVKDONJSA-N 1 2 340.851 3.677 50 0 EHAALO Cc1oc(-c2ccsc2)nc1CN1CCc2c([nH+]cn2C2CC2)C1 ZINC000069486148 564169842 /nfs/dbraw/zinc/16/98/42/564169842.db2.gz PHIREXABJZYWCT-UHFFFAOYSA-N 1 2 340.452 3.801 50 0 EHAALO O=C(CCn1cc[nH+]c1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000069560733 564170453 /nfs/dbraw/zinc/17/04/53/564170453.db2.gz CBZLNEAKIKXDDH-UHFFFAOYSA-N 1 2 349.394 3.556 50 0 EHAALO O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069659945 564171262 /nfs/dbraw/zinc/17/12/62/564171262.db2.gz KNOHVPCNBDZRHG-GFCCVEGCSA-N 1 2 341.308 3.518 50 0 EHAALO O=C(c1cccnc1Oc1ccccc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069662083 564171330 /nfs/dbraw/zinc/17/13/30/564171330.db2.gz VDDVVMRPCIEYIQ-INIZCTEOSA-N 1 2 348.406 3.548 50 0 EHAALO O=C(c1ccccc1Oc1cccnc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069919573 564172831 /nfs/dbraw/zinc/17/28/31/564172831.db2.gz YGCQEJPNWYANTE-INIZCTEOSA-N 1 2 348.406 3.548 50 0 EHAALO Cc1ccc([C@@H](c2sc3nc(C)nn3c2O)[NH+]2CCCCCC2)o1 ZINC000041637142 564174210 /nfs/dbraw/zinc/17/42/10/564174210.db2.gz VXPMXAJUPSOCOU-AWEZNQCLSA-N 1 2 346.456 3.672 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[NH+]1CCCCCC1)S2 ZINC000041637254 564174212 /nfs/dbraw/zinc/17/42/12/564174212.db2.gz UAZKEBZRLXTTJK-HNNXBMFYSA-N 1 2 342.468 3.770 50 0 EHAALO C(C[N@@H+]1CCC[C@@H]1c1nnc2n1CCCCC2)OC1CCCCCC1 ZINC000077248217 564176640 /nfs/dbraw/zinc/17/66/40/564176640.db2.gz ZFMOSMXOEWZYED-GOSISDBHSA-N 1 2 346.519 3.881 50 0 EHAALO C(C[N@H+]1CCC[C@@H]1c1nnc2n1CCCCC2)OC1CCCCCC1 ZINC000077248217 564176641 /nfs/dbraw/zinc/17/66/41/564176641.db2.gz ZFMOSMXOEWZYED-GOSISDBHSA-N 1 2 346.519 3.881 50 0 EHAALO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ncnn1C(C)(C)C ZINC000338235129 1018778858 /nfs/dbraw/zinc/77/88/58/1018778858.db2.gz OLJLDHHYKXKNPF-KRWDZBQOSA-N 1 2 328.460 3.551 50 0 EHAALO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1ncnn1C(C)(C)C ZINC000338235129 1018778868 /nfs/dbraw/zinc/77/88/68/1018778868.db2.gz OLJLDHHYKXKNPF-KRWDZBQOSA-N 1 2 328.460 3.551 50 0 EHAALO CC[C@H](c1ccc(OC)cc1)N(CC)C(=O)C1(Cn2cc[nH+]c2)CC1 ZINC000065383613 1132105846 /nfs/dbraw/zinc/10/58/46/1132105846.db2.gz OQRXDCJFTRNVQS-GOSISDBHSA-N 1 2 341.455 3.672 50 0 EHAALO COc1ccccc1[C@H](C)[NH+]1CCN(C(=O)CC(C)(C)C2CC2)CC1 ZINC000952845297 1137482253 /nfs/dbraw/zinc/48/22/53/1137482253.db2.gz QNZYFWWJGIELFD-INIZCTEOSA-N 1 2 344.499 3.727 50 0 EHAALO O=C(CC[C@@H]1CCCO1)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000053547439 214186915 /nfs/dbraw/zinc/18/69/15/214186915.db2.gz PEBXOJXRDRFFOE-KRWDZBQOSA-N 1 2 339.439 3.784 50 0 EHAALO CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1(C)C ZINC000055816527 214342992 /nfs/dbraw/zinc/34/29/92/214342992.db2.gz UFBOUXHVXVKIOS-HKUYNNGSSA-N 1 2 342.483 3.696 50 0 EHAALO CCN(CC)c1cc(CCC(=O)Nc2cccc(OC)c2)cc[nH+]1 ZINC000065270022 214858246 /nfs/dbraw/zinc/85/82/46/214858246.db2.gz WGBCMFWXTAYILV-UHFFFAOYSA-N 1 2 327.428 3.508 50 0 EHAALO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000003390890 210024795 /nfs/dbraw/zinc/02/47/95/210024795.db2.gz FXJMWGCHBISOMO-HNNXBMFYSA-N 1 2 338.451 3.911 50 0 EHAALO CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000003390890 210024798 /nfs/dbraw/zinc/02/47/98/210024798.db2.gz FXJMWGCHBISOMO-HNNXBMFYSA-N 1 2 338.451 3.911 50 0 EHAALO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000069370524 215391335 /nfs/dbraw/zinc/39/13/35/215391335.db2.gz FWHLTXNAXMNDJD-KBPBESRZSA-N 1 2 344.434 3.526 50 0 EHAALO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000040468309 213310647 /nfs/dbraw/zinc/31/06/47/213310647.db2.gz VKHZHNLKVSCUPT-OLZOCXBDSA-N 1 2 344.377 3.605 50 0 EHAALO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000040468309 213310651 /nfs/dbraw/zinc/31/06/51/213310651.db2.gz VKHZHNLKVSCUPT-OLZOCXBDSA-N 1 2 344.377 3.605 50 0 EHAALO COc1ccc(C(=O)Nc2ccc3[nH]c(C(C)C)[nH+]c3c2)cc1OC ZINC000040288503 213290048 /nfs/dbraw/zinc/29/00/48/213290048.db2.gz SILBVVSYSLLJGS-UHFFFAOYSA-N 1 2 339.395 3.956 50 0 EHAALO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000040092427 213261948 /nfs/dbraw/zinc/26/19/48/213261948.db2.gz GHLNUQWGLWOQDL-DLBZAZTESA-N 1 2 349.434 3.522 50 0 EHAALO Cc1[nH+]c2cc(NC(=O)N3CC[C@H](c4ccccc4)C3)ccc2n1C ZINC000000469760 209621244 /nfs/dbraw/zinc/62/12/44/209621244.db2.gz XDPIHARPNJRZOJ-INIZCTEOSA-N 1 2 334.423 3.903 50 0 EHAALO Cc1cc(C(=O)C[N@@H+]2CCc3ccccc3C2)c(C)n1Cc1ccco1 ZINC000035300806 213018646 /nfs/dbraw/zinc/01/86/46/213018646.db2.gz VWDREFXHKWVGCY-UHFFFAOYSA-N 1 2 348.446 3.987 50 0 EHAALO Cc1cc(C(=O)C[N@H+]2CCc3ccccc3C2)c(C)n1Cc1ccco1 ZINC000035300806 213018648 /nfs/dbraw/zinc/01/86/48/213018648.db2.gz VWDREFXHKWVGCY-UHFFFAOYSA-N 1 2 348.446 3.987 50 0 EHAALO c1ncn2c1C[N@H+](Cc1c(-c3ccccc3)nc3ccccn31)CCC2 ZINC000072130900 216021220 /nfs/dbraw/zinc/02/12/20/216021220.db2.gz NMXPLISFXXUGFJ-UHFFFAOYSA-N 1 2 343.434 3.604 50 0 EHAALO c1ncn2c1C[N@@H+](Cc1c(-c3ccccc3)nc3ccccn31)CCC2 ZINC000072130900 216021224 /nfs/dbraw/zinc/02/12/24/216021224.db2.gz NMXPLISFXXUGFJ-UHFFFAOYSA-N 1 2 343.434 3.604 50 0 EHAALO CCCn1cc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c(C)n1 ZINC000072156390 216045475 /nfs/dbraw/zinc/04/54/75/216045475.db2.gz AAHMKYQZVKFEAH-UHFFFAOYSA-N 1 2 346.906 3.573 50 0 EHAALO CCCn1cc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c(C)n1 ZINC000072156390 216045478 /nfs/dbraw/zinc/04/54/78/216045478.db2.gz AAHMKYQZVKFEAH-UHFFFAOYSA-N 1 2 346.906 3.573 50 0 EHAALO CCn1ccc2ccc(C[N@H+](C)Cc3nc4ccccc4c(=O)[nH]3)cc21 ZINC000072157365 216047465 /nfs/dbraw/zinc/04/74/65/216047465.db2.gz RQZVQNOZWLTJQY-UHFFFAOYSA-N 1 2 346.434 3.530 50 0 EHAALO CCn1ccc2ccc(C[N@@H+](C)Cc3nc4ccccc4c(=O)[nH]3)cc21 ZINC000072157365 216047466 /nfs/dbraw/zinc/04/74/66/216047466.db2.gz RQZVQNOZWLTJQY-UHFFFAOYSA-N 1 2 346.434 3.530 50 0 EHAALO C[N@H+](Cc1cnc(CC2CCCC2)[nH]1)Cc1cccc(-n2cccn2)c1 ZINC000072422641 216211418 /nfs/dbraw/zinc/21/14/18/216211418.db2.gz PPOJFJDMTIFANS-UHFFFAOYSA-N 1 2 349.482 3.960 50 0 EHAALO C[N@@H+](Cc1cnc(CC2CCCC2)[nH]1)Cc1cccc(-n2cccn2)c1 ZINC000072422641 216211422 /nfs/dbraw/zinc/21/14/22/216211422.db2.gz PPOJFJDMTIFANS-UHFFFAOYSA-N 1 2 349.482 3.960 50 0 EHAALO CC(=O)N1CC[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000023281628 212366287 /nfs/dbraw/zinc/36/62/87/212366287.db2.gz CZIMMFQNHFJQJG-UHFFFAOYSA-N 1 2 344.842 3.796 50 0 EHAALO CN1CC[NH+](Cc2ccc(-c3ccccc3C(F)(F)F)nc2)CC1 ZINC000215123790 241109474 /nfs/dbraw/zinc/10/94/74/241109474.db2.gz ZEQHQASIDVBGFJ-UHFFFAOYSA-N 1 2 335.373 3.515 50 0 EHAALO COc1ccc(C[N@H+](C)Cc2coc(C(C)C)n2)c2cccnc12 ZINC000215292576 241117752 /nfs/dbraw/zinc/11/77/52/241117752.db2.gz FBUUXLJTUSOZIY-UHFFFAOYSA-N 1 2 325.412 3.987 50 0 EHAALO COc1ccc(C[N@@H+](C)Cc2coc(C(C)C)n2)c2cccnc12 ZINC000215292576 241117754 /nfs/dbraw/zinc/11/77/54/241117754.db2.gz FBUUXLJTUSOZIY-UHFFFAOYSA-N 1 2 325.412 3.987 50 0 EHAALO COc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)c(OC)c1OC ZINC000215753443 241144770 /nfs/dbraw/zinc/14/47/70/241144770.db2.gz IOYSPNMEAXFTHN-ZDUSSCGKSA-N 1 2 334.441 3.506 50 0 EHAALO COc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)c(OC)c1OC ZINC000215753443 241144775 /nfs/dbraw/zinc/14/47/75/241144775.db2.gz IOYSPNMEAXFTHN-ZDUSSCGKSA-N 1 2 334.441 3.506 50 0 EHAALO O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N(Cc1cccc(O)c1)C1CC1 ZINC000216108972 241164570 /nfs/dbraw/zinc/16/45/70/241164570.db2.gz CQVMTHPJRJAJRS-UHFFFAOYSA-N 1 2 333.391 3.587 50 0 EHAALO CC(C)COCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000225719672 242003347 /nfs/dbraw/zinc/00/33/47/242003347.db2.gz JOLWKKQRRBNECY-UHFFFAOYSA-N 1 2 333.259 3.536 50 0 EHAALO CC(C)COCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000225719672 242003352 /nfs/dbraw/zinc/00/33/52/242003352.db2.gz JOLWKKQRRBNECY-UHFFFAOYSA-N 1 2 333.259 3.536 50 0 EHAALO Cc1nc(N2CCC3(C=Cc4ccccc43)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244716239 243066559 /nfs/dbraw/zinc/06/65/59/243066559.db2.gz LLLMSMNBINVVOX-HDICACEKSA-N 1 2 347.462 3.588 50 0 EHAALO Cc1cccc(-n2cc(C[N@@H+](C)Cc3[nH]cc(C)c(=O)c3C)cn2)c1 ZINC000253537191 244015914 /nfs/dbraw/zinc/01/59/14/244015914.db2.gz AWRFMILUZVMGCL-UHFFFAOYSA-N 1 2 336.439 3.530 50 0 EHAALO Cc1cccc(-n2cc(C[N@H+](C)Cc3[nH]cc(C)c(=O)c3C)cn2)c1 ZINC000253537191 244015919 /nfs/dbraw/zinc/01/59/19/244015919.db2.gz AWRFMILUZVMGCL-UHFFFAOYSA-N 1 2 336.439 3.530 50 0 EHAALO Cc1cc(C)c(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000020271733 212115913 /nfs/dbraw/zinc/11/59/13/212115913.db2.gz KYPGNJHVODOPQQ-UHFFFAOYSA-N 1 2 338.451 3.696 50 0 EHAALO CCCCn1c2ccccc2n(CCOc2ccccc2OC)c1=[NH2+] ZINC000020069512 212099599 /nfs/dbraw/zinc/09/95/99/212099599.db2.gz SKEYWFVHTUBBHY-UHFFFAOYSA-N 1 2 339.439 3.810 50 0 EHAALO CC(C)CN1c2ccccc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000020064194 212099046 /nfs/dbraw/zinc/09/90/46/212099046.db2.gz WRGXJPCXSIZTML-QFIPXVFZSA-N 1 2 345.446 3.560 50 0 biogenic EHAALO Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)cc2c1C ZINC000077485579 216916583 /nfs/dbraw/zinc/91/65/83/216916583.db2.gz VKNFXLRWSJHKDB-INIZCTEOSA-N 1 2 336.439 3.534 50 0 EHAALO CCCCc1ccc2[nH]c(C)c(C[NH+]3CCN(CC)CC3)c(=O)c2c1 ZINC000019793312 212068752 /nfs/dbraw/zinc/06/87/52/212068752.db2.gz IFVHPSFEPKBOOL-UHFFFAOYSA-N 1 2 341.499 3.729 50 0 EHAALO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1cccc(F)c1 ZINC000049563624 214018891 /nfs/dbraw/zinc/01/88/91/214018891.db2.gz JFOZLCVMPZRRGB-JTQLQIEISA-N 1 2 331.778 3.566 50 0 EHAALO COc1cc[nH+]cc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000078501940 217064869 /nfs/dbraw/zinc/06/48/69/217064869.db2.gz UPBAGBXIGBOHMP-UHFFFAOYSA-N 1 2 343.770 3.580 50 0 EHAALO Cc1nn2c(nc(C)cc2NCCCn2cc[nH+]c2)c1-c1ccccc1 ZINC000012374423 211358377 /nfs/dbraw/zinc/35/83/77/211358377.db2.gz OPHPPJIOVUMFOZ-UHFFFAOYSA-N 1 2 346.438 3.712 50 0 EHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)NCc2ccccc2)CC1 ZINC000091468932 218010912 /nfs/dbraw/zinc/01/09/12/218010912.db2.gz IUVOWKXLICOWTJ-UHFFFAOYSA-N 1 2 326.444 3.553 50 0 EHAALO C[C@@H](CC(=O)N1CCC(CCc2ccccc2)CC1)n1cc[nH+]c1 ZINC000091713906 218053795 /nfs/dbraw/zinc/05/37/95/218053795.db2.gz HGJYQTKOVUBSPH-KRWDZBQOSA-N 1 2 325.456 3.706 50 0 EHAALO Cc1cccn2cc(COC(=O)c3cc4ccccc4cc3O)[nH+]c12 ZINC000011298265 211211603 /nfs/dbraw/zinc/21/16/03/211211603.db2.gz OHTCCZYFAWKTSY-UHFFFAOYSA-N 1 2 332.359 3.859 50 0 EHAALO C[N@H+](Cc1cnc[nH]1)[C@H]1CCSc2ccc(Br)cc21 ZINC000093085501 218191850 /nfs/dbraw/zinc/19/18/50/218191850.db2.gz ZHPLDRYSRQHWLB-ZDUSSCGKSA-N 1 2 338.274 3.841 50 0 EHAALO C[N@@H+](Cc1cnc[nH]1)[C@H]1CCSc2ccc(Br)cc21 ZINC000093085501 218191853 /nfs/dbraw/zinc/19/18/53/218191853.db2.gz ZHPLDRYSRQHWLB-ZDUSSCGKSA-N 1 2 338.274 3.841 50 0 EHAALO C[N@H+](Cc1c[nH]cn1)[C@H]1CCSc2ccc(Br)cc21 ZINC000093085501 218191855 /nfs/dbraw/zinc/19/18/55/218191855.db2.gz ZHPLDRYSRQHWLB-ZDUSSCGKSA-N 1 2 338.274 3.841 50 0 EHAALO C[N@@H+](Cc1c[nH]cn1)[C@H]1CCSc2ccc(Br)cc21 ZINC000093085501 218191858 /nfs/dbraw/zinc/19/18/58/218191858.db2.gz ZHPLDRYSRQHWLB-ZDUSSCGKSA-N 1 2 338.274 3.841 50 0 EHAALO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000095406239 218342611 /nfs/dbraw/zinc/34/26/11/218342611.db2.gz ZCTORUFJTOPNKK-CYBMUJFWSA-N 1 2 345.443 3.521 50 0 EHAALO CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008346278 210941085 /nfs/dbraw/zinc/94/10/85/210941085.db2.gz UOZBAMRLXPCNDN-OXQOHEQNSA-N 1 2 349.434 3.907 50 0 EHAALO C[C@@H](c1nc2ccccc2o1)[N@@H+](Cc1cccnc1)C[C@@H]1CCCO1 ZINC000097232398 219000954 /nfs/dbraw/zinc/00/09/54/219000954.db2.gz QJOSPSPCOTWACS-RDJZCZTQSA-N 1 2 337.423 3.965 50 0 EHAALO C[C@@H](c1nc2ccccc2o1)[N@H+](Cc1cccnc1)C[C@@H]1CCCO1 ZINC000097232398 219000956 /nfs/dbraw/zinc/00/09/56/219000956.db2.gz QJOSPSPCOTWACS-RDJZCZTQSA-N 1 2 337.423 3.965 50 0 EHAALO O=C(NCc1c[nH+]c2ccccn12)[C@]1(c2ccccc2)CC12CCCC2 ZINC000426503149 257966134 /nfs/dbraw/zinc/96/61/34/257966134.db2.gz JTFCAZFKHJVHEQ-JOCHJYFZSA-N 1 2 345.446 3.853 50 0 EHAALO Cn1c(C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)nnc1C1CC1 ZINC000280330597 258014115 /nfs/dbraw/zinc/01/41/15/258014115.db2.gz ZNPWZXLGAWRDHI-UHFFFAOYSA-N 1 2 328.847 3.635 50 0 EHAALO Cn1c(C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)nnc1C1CC1 ZINC000280330597 258014116 /nfs/dbraw/zinc/01/41/16/258014116.db2.gz ZNPWZXLGAWRDHI-UHFFFAOYSA-N 1 2 328.847 3.635 50 0 EHAALO Cc1cc2cccc(NC(=O)NCc3c[nH+]cn3CC(C)C)c2o1 ZINC000299771744 258084216 /nfs/dbraw/zinc/08/42/16/258084216.db2.gz WESSBOVDPWKZNF-UHFFFAOYSA-N 1 2 326.400 3.915 50 0 EHAALO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000053033334 132186134 /nfs/dbraw/zinc/18/61/34/132186134.db2.gz WFZBLVSHCPDWHR-UHFFFAOYSA-N 1 2 328.843 3.865 50 0 EHAALO Cc1ccccc1C[N@@H+]1CCN(c2ccc3c(c2)CCC3)C(=O)[C@@H]1C ZINC000037519565 132394278 /nfs/dbraw/zinc/39/42/78/132394278.db2.gz CLOPWRFRZGIOJT-KRWDZBQOSA-N 1 2 334.463 3.721 50 0 EHAALO Cc1ccccc1C[N@H+]1CCN(c2ccc3c(c2)CCC3)C(=O)[C@@H]1C ZINC000037519565 132394279 /nfs/dbraw/zinc/39/42/79/132394279.db2.gz CLOPWRFRZGIOJT-KRWDZBQOSA-N 1 2 334.463 3.721 50 0 EHAALO COc1ccc(C[N@@H+]2CCN(c3cccc(C)c3C)C(=O)[C@H]2C)cc1 ZINC000037520417 132395117 /nfs/dbraw/zinc/39/51/17/132395117.db2.gz KADXBRYZHDKRKP-QGZVFWFLSA-N 1 2 338.451 3.549 50 0 EHAALO COc1ccc(C[N@H+]2CCN(c3cccc(C)c3C)C(=O)[C@H]2C)cc1 ZINC000037520417 132395119 /nfs/dbraw/zinc/39/51/19/132395119.db2.gz KADXBRYZHDKRKP-QGZVFWFLSA-N 1 2 338.451 3.549 50 0 EHAALO c1ccc(Nc2nc(N3CCCCC3)[nH+]c(N3CCCCC3)n2)cc1 ZINC000000185439 135646585 /nfs/dbraw/zinc/64/65/85/135646585.db2.gz UMVZIYQNOLOHNI-UHFFFAOYSA-N 1 2 338.459 3.596 50 0 EHAALO CC(=O)c1cc(CN(C)Cc2[nH+]ccn2Cc2ccccc2)cs1 ZINC000215755135 534816911 /nfs/dbraw/zinc/81/69/11/534816911.db2.gz ZHTBIPLSLOQMMR-UHFFFAOYSA-N 1 2 339.464 3.828 50 0 EHAALO CC(=O)c1cc(C[N@@H+](C)[C@H](C)c2ccc3c(c2)OCCO3)cs1 ZINC000216139157 534818454 /nfs/dbraw/zinc/81/84/54/534818454.db2.gz HSZRRPMEHJBHLB-GFCCVEGCSA-N 1 2 331.437 3.915 50 0 EHAALO CC(=O)c1cc(C[N@H+](C)[C@H](C)c2ccc3c(c2)OCCO3)cs1 ZINC000216139157 534818458 /nfs/dbraw/zinc/81/84/58/534818458.db2.gz HSZRRPMEHJBHLB-GFCCVEGCSA-N 1 2 331.437 3.915 50 0 EHAALO CCOC(=O)C1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000000154140 563247130 /nfs/dbraw/zinc/24/71/30/563247130.db2.gz CMOYLLGMIOZGPU-UHFFFAOYSA-N 1 2 336.482 3.647 50 0 EHAALO S=C(NCCCn1cc[nH+]c1)Nc1cc(Cl)ccc1Cl ZINC000003046821 563470312 /nfs/dbraw/zinc/47/03/12/563470312.db2.gz XMJNRTDSBPHWBY-UHFFFAOYSA-N 1 2 329.256 3.567 50 0 EHAALO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccc2c(c1)OCCO2 ZINC000032679648 563681626 /nfs/dbraw/zinc/68/16/26/563681626.db2.gz SXFBZGAFWCDSGW-CQSZACIVSA-N 1 2 336.391 3.964 50 0 EHAALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000012994693 563683080 /nfs/dbraw/zinc/68/30/80/563683080.db2.gz OONROUUJJCSHTP-GFCCVEGCSA-N 1 2 334.872 3.637 50 0 EHAALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000012994693 563683083 /nfs/dbraw/zinc/68/30/83/563683083.db2.gz OONROUUJJCSHTP-GFCCVEGCSA-N 1 2 334.872 3.637 50 0 EHAALO CCOc1ccc(/C=C2\SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000013573938 563702488 /nfs/dbraw/zinc/70/24/88/563702488.db2.gz SHQHFJSTDDYLKB-VBKFSLOCSA-N 1 2 346.452 3.565 50 0 EHAALO COC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCc2ccccc2C1 ZINC000032753191 563727268 /nfs/dbraw/zinc/72/72/68/563727268.db2.gz FWABPGFKQQBWNB-UHFFFAOYSA-N 1 2 346.430 3.888 50 0 EHAALO COC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCc2ccccc2C1 ZINC000032753191 563727271 /nfs/dbraw/zinc/72/72/71/563727271.db2.gz FWABPGFKQQBWNB-UHFFFAOYSA-N 1 2 346.430 3.888 50 0 EHAALO C[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1N1CCCC1 ZINC000015573751 563787287 /nfs/dbraw/zinc/78/72/87/563787287.db2.gz JUMOUTTZMYNCFC-UHFFFAOYSA-N 1 2 338.411 3.562 50 0 EHAALO C[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccccc1N1CCCC1 ZINC000015573751 563787289 /nfs/dbraw/zinc/78/72/89/563787289.db2.gz JUMOUTTZMYNCFC-UHFFFAOYSA-N 1 2 338.411 3.562 50 0 EHAALO CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)s1 ZINC000016603070 563816309 /nfs/dbraw/zinc/81/63/09/563816309.db2.gz IAJVOBYKHDXQAR-UHFFFAOYSA-N 1 2 328.481 3.577 50 0 EHAALO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000016604617 563816969 /nfs/dbraw/zinc/81/69/69/563816969.db2.gz VDHGZVQKFODMJU-UHFFFAOYSA-N 1 2 339.222 3.544 50 0 EHAALO CC(C)c1ccc(N2C(=O)C[C@H]([N@@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000018285653 563852351 /nfs/dbraw/zinc/85/23/51/563852351.db2.gz NHNGXDDPWYDQES-FQEVSTJZSA-N 1 2 348.446 3.500 50 0 EHAALO CC(C)c1ccc(N2C(=O)C[C@H]([N@H+]3CCc4ccccc4C3)C2=O)cc1 ZINC000018285653 563852352 /nfs/dbraw/zinc/85/23/52/563852352.db2.gz NHNGXDDPWYDQES-FQEVSTJZSA-N 1 2 348.446 3.500 50 0 EHAALO C[C@@H](c1ccccc1)[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000024685850 563874033 /nfs/dbraw/zinc/87/40/33/563874033.db2.gz ONNAVXOPBHSVNB-ZDUSSCGKSA-N 1 2 333.391 3.862 50 0 EHAALO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000024685850 563874038 /nfs/dbraw/zinc/87/40/38/563874038.db2.gz ONNAVXOPBHSVNB-ZDUSSCGKSA-N 1 2 333.391 3.862 50 0 EHAALO COc1ccc([C@H]([NH2+]Cc2ccc(C)s2)c2nccn2C)cc1 ZINC000030651188 563910215 /nfs/dbraw/zinc/91/02/15/563910215.db2.gz RPNYBZQSBKYTFR-KRWDZBQOSA-N 1 2 327.453 3.678 50 0 EHAALO CCOC(=O)C[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000033732082 563916422 /nfs/dbraw/zinc/91/64/22/563916422.db2.gz HRWUEUOAAKJSEV-LVCYWYKZSA-N 1 2 337.419 3.601 50 0 EHAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1ccncc1 ZINC000032960626 563916671 /nfs/dbraw/zinc/91/66/71/563916671.db2.gz HDABXCLAASUJHQ-UHFFFAOYSA-N 1 2 342.402 3.995 50 0 EHAALO Cc1ccc(C2=CCN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000058327682 563942580 /nfs/dbraw/zinc/94/25/80/563942580.db2.gz AEJHGONRHHLPTQ-UHFFFAOYSA-N 1 2 344.418 3.505 50 0 EHAALO Cc1[nH]c2ccc(C)cc2c1CC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000058394128 563944748 /nfs/dbraw/zinc/94/47/48/563944748.db2.gz JJTZFPNHKLIPDV-UHFFFAOYSA-N 1 2 346.434 3.600 50 0 EHAALO CC(C)Oc1c(Cl)cccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000096411516 563950679 /nfs/dbraw/zinc/95/06/79/563950679.db2.gz WRQCOSCIYOUSNC-UHFFFAOYSA-N 1 2 336.823 3.536 50 0 EHAALO Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000096415009 563951116 /nfs/dbraw/zinc/95/11/16/563951116.db2.gz QPTKPFUNRZSHSE-AWEZNQCLSA-N 1 2 333.457 3.625 50 0 EHAALO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000096415009 563951117 /nfs/dbraw/zinc/95/11/17/563951117.db2.gz QPTKPFUNRZSHSE-AWEZNQCLSA-N 1 2 333.457 3.625 50 0 EHAALO Cc1nc(C2CCCC2)sc1C(=O)N[C@@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000096431137 563952649 /nfs/dbraw/zinc/95/26/49/563952649.db2.gz LORRTLXZYJPMER-HUUCEWRRSA-N 1 2 344.484 3.829 50 0 EHAALO C[C@@H](NC(=O)[C@H]1CCOc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432069 563952663 /nfs/dbraw/zinc/95/26/63/563952663.db2.gz VORURECXXYFGHZ-BEFAXECRSA-N 1 2 347.418 3.616 50 0 EHAALO COc1ccc(C[NH2+]C(C)(C)c2nccs2)c(Br)c1 ZINC000286602013 563962216 /nfs/dbraw/zinc/96/22/16/563962216.db2.gz RDJUADBSXKZQTD-UHFFFAOYSA-N 1 2 341.274 3.939 50 0 EHAALO CC(C)c1ncc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC000071416181 563964327 /nfs/dbraw/zinc/96/43/27/563964327.db2.gz KZKFUKWDEFKUPA-QGZVFWFLSA-N 1 2 331.847 3.827 50 0 EHAALO CC(C)c1ncc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC000071416181 563964328 /nfs/dbraw/zinc/96/43/28/563964328.db2.gz KZKFUKWDEFKUPA-QGZVFWFLSA-N 1 2 331.847 3.827 50 0 EHAALO CC(C)c1ncc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000071416180 563964347 /nfs/dbraw/zinc/96/43/47/563964347.db2.gz KZKFUKWDEFKUPA-KRWDZBQOSA-N 1 2 331.847 3.827 50 0 EHAALO CC(C)c1ncc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000071416180 563964348 /nfs/dbraw/zinc/96/43/48/563964348.db2.gz KZKFUKWDEFKUPA-KRWDZBQOSA-N 1 2 331.847 3.827 50 0 EHAALO COc1ccc2cc([C@@H]3C[N@H+](Cc4cccnc4)CCO3)ccc2c1 ZINC000071749368 563965040 /nfs/dbraw/zinc/96/50/40/563965040.db2.gz WXQHVVPGEHELER-NRFANRHFSA-N 1 2 334.419 3.817 50 0 EHAALO COc1ccc2cc([C@@H]3C[N@@H+](Cc4cccnc4)CCO3)ccc2c1 ZINC000071749368 563965041 /nfs/dbraw/zinc/96/50/41/563965041.db2.gz WXQHVVPGEHELER-NRFANRHFSA-N 1 2 334.419 3.817 50 0 EHAALO Clc1ccc([C@H]2CN(CCCn3cc[nH+]c3)CCO2)cc1Cl ZINC000071774574 563965701 /nfs/dbraw/zinc/96/57/01/563965701.db2.gz MTFISSZFZCEBIA-MRXNPFEDSA-N 1 2 340.254 3.654 50 0 EHAALO c1ccc(-c2noc(N3CCC[C@@H](c4[nH]c5ccccc5[nH+]4)C3)n2)cc1 ZINC000077301122 563968821 /nfs/dbraw/zinc/96/88/21/563968821.db2.gz YMEVQTKEFDCNRB-OAHLLOKOSA-N 1 2 345.406 3.997 50 0 EHAALO O=C(c1ccc2cc[nH]c2c1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082135038 563972636 /nfs/dbraw/zinc/97/26/36/563972636.db2.gz BZCQASRXNBIZIP-UHFFFAOYSA-N 1 2 348.450 3.794 50 0 EHAALO Cc1cc(C)c(NC(=O)NCCCc2nc3ccccc3[nH]2)c(C)[nH+]1 ZINC000095507976 563977173 /nfs/dbraw/zinc/97/71/73/563977173.db2.gz GHYVKIDMJFROQP-UHFFFAOYSA-N 1 2 337.427 3.637 50 0 EHAALO Cc1cc(C)n(C2C[NH+](Cc3ccc([C@H]4CCCCO4)s3)C2)n1 ZINC000097137554 563981379 /nfs/dbraw/zinc/98/13/79/563981379.db2.gz FCPBAFWAMGHDCK-QGZVFWFLSA-N 1 2 331.485 3.860 50 0 EHAALO Fc1ccc(NC(=S)N2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000000216677 563988708 /nfs/dbraw/zinc/98/87/08/563988708.db2.gz ZTOMGOLFAUJOCW-UHFFFAOYSA-N 1 2 349.862 3.951 50 0 EHAALO Fc1ccc(NC(=S)N2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000000216677 563988709 /nfs/dbraw/zinc/98/87/09/563988709.db2.gz ZTOMGOLFAUJOCW-UHFFFAOYSA-N 1 2 349.862 3.951 50 0 EHAALO S=C(Nc1cccc(Cl)c1)N1CC[N@H+](Cc2ccccc2)C1 ZINC000000221244 563988854 /nfs/dbraw/zinc/98/88/54/563988854.db2.gz PPTCZOKSLNLGTA-UHFFFAOYSA-N 1 2 331.872 3.812 50 0 EHAALO S=C(Nc1cccc(Cl)c1)N1CC[N@@H+](Cc2ccccc2)C1 ZINC000000221244 563988855 /nfs/dbraw/zinc/98/88/55/563988855.db2.gz PPTCZOKSLNLGTA-UHFFFAOYSA-N 1 2 331.872 3.812 50 0 EHAALO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc(Cl)cc3)c2cc1C ZINC000000307175 563990890 /nfs/dbraw/zinc/99/08/90/563990890.db2.gz MKUHOIBHSQCKPR-HNNXBMFYSA-N 1 2 330.815 3.746 50 0 EHAALO CC(C)CN(Cc1cccnc1)C(=O)c1ccc(-c2c[nH+]cn2C)cc1 ZINC000426490450 563995803 /nfs/dbraw/zinc/99/58/03/563995803.db2.gz NXAAVNDTAZUYDS-UHFFFAOYSA-N 1 2 348.450 3.781 50 0 EHAALO C[C@H]1CN(C)c2ccccc2N(Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000252508410 563997896 /nfs/dbraw/zinc/99/78/96/563997896.db2.gz XNATWFAMOBEULD-KRWDZBQOSA-N 1 2 336.483 3.774 50 0 EHAALO C(=C/[C@@H]1CCC[N@H+]1Cc1noc(C2CCOCC2)n1)\c1ccccc1 ZINC000253425710 563999210 /nfs/dbraw/zinc/99/92/10/563999210.db2.gz LPMUQOBVCPOJPJ-BLGFXRMMSA-N 1 2 339.439 3.641 50 0 EHAALO C(=C/[C@@H]1CCC[N@@H+]1Cc1noc(C2CCOCC2)n1)\c1ccccc1 ZINC000253425710 563999211 /nfs/dbraw/zinc/99/92/11/563999211.db2.gz LPMUQOBVCPOJPJ-BLGFXRMMSA-N 1 2 339.439 3.641 50 0 EHAALO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)c1nnc2n1CCC2 ZINC000062640079 564007056 /nfs/dbraw/zinc/00/70/56/564007056.db2.gz ITQPSALRIUMVFZ-GFCCVEGCSA-N 1 2 342.830 3.989 50 0 EHAALO FC(F)(F)c1ccc([C@H]2C[N@H+](Cc3cncs3)CCO2)cc1 ZINC000180775764 564013551 /nfs/dbraw/zinc/01/35/51/564013551.db2.gz SIGKZSSILSSSCO-CQSZACIVSA-N 1 2 328.359 3.735 50 0 EHAALO FC(F)(F)c1ccc([C@H]2C[N@@H+](Cc3cncs3)CCO2)cc1 ZINC000180775764 564013552 /nfs/dbraw/zinc/01/35/52/564013552.db2.gz SIGKZSSILSSSCO-CQSZACIVSA-N 1 2 328.359 3.735 50 0 EHAALO CC[NH+](CC)Cc1nnc2sc(/C=C\c3ccccc3Cl)nn12 ZINC000103168825 564021623 /nfs/dbraw/zinc/02/16/23/564021623.db2.gz NANCRPBHYHQFRA-KTKRTIGZSA-N 1 2 347.875 3.851 50 0 EHAALO CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cnc(C)s2)c1 ZINC000048314067 564031025 /nfs/dbraw/zinc/03/10/25/564031025.db2.gz TWEHRNXLNXINSH-LLVKDONJSA-N 1 2 335.498 3.632 50 0 EHAALO CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cnc(C)s2)c1 ZINC000048314067 564031026 /nfs/dbraw/zinc/03/10/26/564031026.db2.gz TWEHRNXLNXINSH-LLVKDONJSA-N 1 2 335.498 3.632 50 0 EHAALO C(=[NH+]Nc1ccc2ccccc2n1)c1ccc(N2CCOCC2)cc1 ZINC000245266119 564033555 /nfs/dbraw/zinc/03/35/55/564033555.db2.gz INLAJRZOFCYWSX-UHFFFAOYSA-N 1 2 332.407 3.517 50 0 EHAALO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000032747206 564036142 /nfs/dbraw/zinc/03/61/42/564036142.db2.gz HQTNYLCNHSSLHZ-AWEZNQCLSA-N 1 2 341.842 3.851 50 0 EHAALO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000032747206 564036143 /nfs/dbraw/zinc/03/61/43/564036143.db2.gz HQTNYLCNHSSLHZ-AWEZNQCLSA-N 1 2 341.842 3.851 50 0 EHAALO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000032932776 564036309 /nfs/dbraw/zinc/03/63/09/564036309.db2.gz MFVNPESRJOAFBQ-INIZCTEOSA-N 1 2 327.428 3.629 50 0 EHAALO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000032932776 564036310 /nfs/dbraw/zinc/03/63/10/564036310.db2.gz MFVNPESRJOAFBQ-INIZCTEOSA-N 1 2 327.428 3.629 50 0 EHAALO CC[N@@H+](Cc1c(F)cccc1Cl)C[C@H]1Cc2c(nc(C)nc2C)O1 ZINC000252488693 564053398 /nfs/dbraw/zinc/05/33/98/564053398.db2.gz IXCPEPZLMDGLRX-CYBMUJFWSA-N 1 2 349.837 3.712 50 0 EHAALO CC[N@H+](Cc1c(F)cccc1Cl)C[C@H]1Cc2c(nc(C)nc2C)O1 ZINC000252488693 564053399 /nfs/dbraw/zinc/05/33/99/564053399.db2.gz IXCPEPZLMDGLRX-CYBMUJFWSA-N 1 2 349.837 3.712 50 0 EHAALO O=c1nc(C[NH+]2CCCC2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000003286389 564059038 /nfs/dbraw/zinc/05/90/38/564059038.db2.gz BEEQZRBMIBMBLV-UHFFFAOYSA-N 1 2 345.855 3.901 50 0 EHAALO Cc1ccc(-c2nc(CSc3nc(N)cc(C)[nH+]3)co2)c(C)c1 ZINC000044115199 564059572 /nfs/dbraw/zinc/05/95/72/564059572.db2.gz BTRPHHPJTIAFHP-UHFFFAOYSA-N 1 2 326.425 3.931 50 0 EHAALO Cc1cc(C)cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1 ZINC000012577519 564059991 /nfs/dbraw/zinc/05/99/91/564059991.db2.gz IZEMTEXLPALXQJ-SFHVURJKSA-N 1 2 337.398 3.695 50 0 EHAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000012602548 564060457 /nfs/dbraw/zinc/06/04/57/564060457.db2.gz ZSNSOJLLOMMCIE-MRXNPFEDSA-N 1 2 344.842 3.830 50 0 EHAALO CCCc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C)ccc1OC ZINC000012604308 564060470 /nfs/dbraw/zinc/06/04/70/564060470.db2.gz IITQBTGFIMYVGR-UHFFFAOYSA-N 1 2 337.423 3.945 50 0 EHAALO Cn1c2c([nH+]c1C1CC1)CN(Cc1coc(-c3ccccc3)n1)CC2 ZINC000084310917 564067729 /nfs/dbraw/zinc/06/77/29/564067729.db2.gz OWZUYKRMSFKOEV-UHFFFAOYSA-N 1 2 334.423 3.511 50 0 EHAALO CCc1ccccc1NC(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000012779976 564069774 /nfs/dbraw/zinc/06/97/74/564069774.db2.gz RMFYAPUVPIFLJH-UHFFFAOYSA-N 1 2 326.415 3.991 50 0 EHAALO CCc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000012779976 564069775 /nfs/dbraw/zinc/06/97/75/564069775.db2.gz RMFYAPUVPIFLJH-UHFFFAOYSA-N 1 2 326.415 3.991 50 0 EHAALO CC(C)(C)NC(=O)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000085436363 564073230 /nfs/dbraw/zinc/07/32/30/564073230.db2.gz KQRDULKWGYGSIB-UHFFFAOYSA-N 1 2 340.471 3.770 50 0 EHAALO CC[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1c1ccccc1 ZINC000074265480 564073575 /nfs/dbraw/zinc/07/35/75/564073575.db2.gz QYMAHQVWZVRHIC-PKOBYXMFSA-N 1 2 325.456 3.706 50 0 EHAALO O=C(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1ccccn1 ZINC000015863622 564077085 /nfs/dbraw/zinc/07/70/85/564077085.db2.gz OKLINIWQBUYNDR-UHFFFAOYSA-N 1 2 342.402 3.995 50 0 EHAALO Cc1nc2ccc(NC(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)cc2o1 ZINC000088350909 564078988 /nfs/dbraw/zinc/07/89/88/564078988.db2.gz FUQAXOSKGJGBJX-CQSZACIVSA-N 1 2 325.372 3.618 50 0 EHAALO C[N@@H+](Cc1ccc(Cl)cc1)CN1C(=O)OC[C@@H]1c1ccccc1 ZINC000075148695 564080820 /nfs/dbraw/zinc/08/08/20/564080820.db2.gz GUGXBYPXNJANRZ-QGZVFWFLSA-N 1 2 330.815 3.923 50 0 EHAALO C[N@H+](Cc1ccc(Cl)cc1)CN1C(=O)OC[C@@H]1c1ccccc1 ZINC000075148695 564080821 /nfs/dbraw/zinc/08/08/21/564080821.db2.gz GUGXBYPXNJANRZ-QGZVFWFLSA-N 1 2 330.815 3.923 50 0 EHAALO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000013001817 564086295 /nfs/dbraw/zinc/08/62/95/564086295.db2.gz YOGNDSNQUGBLHH-GOSISDBHSA-N 1 2 342.414 3.918 50 0 EHAALO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000013001817 564086296 /nfs/dbraw/zinc/08/62/96/564086296.db2.gz YOGNDSNQUGBLHH-GOSISDBHSA-N 1 2 342.414 3.918 50 0 EHAALO Cn1ncc2c1nc[nH+]c2N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000013013335 564086826 /nfs/dbraw/zinc/08/68/26/564086826.db2.gz DCJPQNQPFMHOOK-OAHLLOKOSA-N 1 2 339.399 3.765 50 0 EHAALO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000089562782 564092862 /nfs/dbraw/zinc/09/28/62/564092862.db2.gz YEZQTCMPODNPBG-CQSZACIVSA-N 1 2 340.452 3.535 50 0 EHAALO Cc1cccn2cc(CC(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)[nH+]c12 ZINC000170610997 564109749 /nfs/dbraw/zinc/10/97/49/564109749.db2.gz XHIBGWYZMLQPJQ-PBHICJAKSA-N 1 2 337.423 3.560 50 0 EHAALO Cc1ccc([C@@H]2CCCCCN2C(=O)NCCCn2cc[nH+]c2)o1 ZINC000076018675 564114496 /nfs/dbraw/zinc/11/44/96/564114496.db2.gz YFARQHWVFREBGZ-INIZCTEOSA-N 1 2 330.432 3.502 50 0 EHAALO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C(C)(C)C)c1nc(C2CC2)no1 ZINC000076046817 564114915 /nfs/dbraw/zinc/11/49/15/564114915.db2.gz CRGCLHWCRBTHSF-RISCZKNCSA-N 1 2 329.448 3.627 50 0 EHAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)C(C)C)cc2)[nH+]1 ZINC000017012968 564116146 /nfs/dbraw/zinc/11/61/46/564116146.db2.gz CFYYSDYYLWEYCX-UHFFFAOYSA-N 1 2 339.443 3.723 50 0 EHAALO Cc1nnc(SCc2cn3cccc(C)c3[nH+]2)n1Cc1ccccc1 ZINC000007738733 564122518 /nfs/dbraw/zinc/12/25/18/564122518.db2.gz MGWCENSZSGHXRV-UHFFFAOYSA-N 1 2 349.463 3.883 50 0 EHAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1ccccc1Cl ZINC000007878323 564124322 /nfs/dbraw/zinc/12/43/22/564124322.db2.gz PWRCMWDGFZNNCO-LBPRGKRZSA-N 1 2 334.872 3.637 50 0 EHAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1ccccc1Cl ZINC000007878323 564124323 /nfs/dbraw/zinc/12/43/23/564124323.db2.gz PWRCMWDGFZNNCO-LBPRGKRZSA-N 1 2 334.872 3.637 50 0 EHAALO Cc1nnc(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)s1 ZINC000253418443 564130858 /nfs/dbraw/zinc/13/08/58/564130858.db2.gz MYNRLBMIIMKNLG-ZDUSSCGKSA-N 1 2 337.876 3.791 50 0 EHAALO Cc1nnc(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)s1 ZINC000253418443 564130859 /nfs/dbraw/zinc/13/08/59/564130859.db2.gz MYNRLBMIIMKNLG-ZDUSSCGKSA-N 1 2 337.876 3.791 50 0 EHAALO CCc1nc(-c2cccc(C(=O)NCc3c[nH+]cn3CC)c2)ccc1C ZINC000584896409 564131645 /nfs/dbraw/zinc/13/16/45/564131645.db2.gz IFMPSIFNFNLLGJ-UHFFFAOYSA-N 1 2 348.450 3.766 50 0 EHAALO C[C@H](CC[C@@H]1CCCO1)NC(=O)c1ccc(Oc2cc[nH+]cc2)cc1 ZINC000079310125 564138088 /nfs/dbraw/zinc/13/80/88/564138088.db2.gz AEJYSJOMHHMNSX-WBVHZDCISA-N 1 2 340.423 3.951 50 0 EHAALO Cc1noc(C)c1CC(=O)Nc1ccc2[nH]c(CC(C)C)[nH+]c2c1 ZINC000096117948 564145458 /nfs/dbraw/zinc/14/54/58/564145458.db2.gz BFDYLNUXPIVKTO-UHFFFAOYSA-N 1 2 326.400 3.547 50 0 EHAALO Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCCCC3)CCCO2 ZINC000096476385 564148427 /nfs/dbraw/zinc/14/84/27/564148427.db2.gz JBEPFXNFBRSVAF-KRWDZBQOSA-N 1 2 340.471 3.625 50 0 EHAALO CN(C)C(=O)c1ccc(C[N@H+]2CC=C(c3ccccc3Cl)CC2)[nH]1 ZINC000097057779 564149327 /nfs/dbraw/zinc/14/93/27/564149327.db2.gz WSGDWSNYTXUZAG-UHFFFAOYSA-N 1 2 343.858 3.659 50 0 EHAALO CN(C)C(=O)c1ccc(C[N@@H+]2CC=C(c3ccccc3Cl)CC2)[nH]1 ZINC000097057779 564149328 /nfs/dbraw/zinc/14/93/28/564149328.db2.gz WSGDWSNYTXUZAG-UHFFFAOYSA-N 1 2 343.858 3.659 50 0 EHAALO Cc1cc(N)nc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)[nH+]1 ZINC000031745609 564159758 /nfs/dbraw/zinc/15/97/58/564159758.db2.gz PWUDDRMHFWVXIR-UHFFFAOYSA-N 1 2 347.443 3.913 50 0 EHAALO O=C(Cc1cn2ccccc2[nH+]1)N[C@H](c1cccs1)C1CCCC1 ZINC000032397723 564161328 /nfs/dbraw/zinc/16/13/28/564161328.db2.gz DRNDCAQLUAFECT-IBGZPJMESA-N 1 2 339.464 3.986 50 0 EHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2C)cc1F ZINC000008130867 564162986 /nfs/dbraw/zinc/16/29/86/564162986.db2.gz JCNVDOBTVIFYLP-UHFFFAOYSA-N 1 2 330.403 3.522 50 0 EHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2C)cc1F ZINC000008130867 564162987 /nfs/dbraw/zinc/16/29/87/564162987.db2.gz JCNVDOBTVIFYLP-UHFFFAOYSA-N 1 2 330.403 3.522 50 0 EHAALO C[NH+](C)Cc1nc(C(=O)N[C@@H](CC(C)(C)C)c2cccnc2)cs1 ZINC000670470292 564164419 /nfs/dbraw/zinc/16/44/19/564164419.db2.gz XKAIHHCXCGADAC-AWEZNQCLSA-N 1 2 346.500 3.507 50 0 EHAALO CCc1nnc([C@@H](C)N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)o1 ZINC000069664338 564171343 /nfs/dbraw/zinc/17/13/43/564171343.db2.gz PMIAIBNJZQABER-UONOGXRCSA-N 1 2 348.878 3.725 50 0 EHAALO O=C(Cc1csc2ccccc12)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069952227 564172897 /nfs/dbraw/zinc/17/28/97/564172897.db2.gz DXBWYXYCJUTPRI-OAHLLOKOSA-N 1 2 325.437 3.504 50 0 EHAALO Cc1ccc(-c2nc(CN3CCc4c([nH+]cn4C4CC4)C3)co2)cc1 ZINC000069952200 564172908 /nfs/dbraw/zinc/17/29/08/564172908.db2.gz JNKCXZULTVAODI-UHFFFAOYSA-N 1 2 334.423 3.740 50 0 EHAALO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1cccs1)C1CCCC1 ZINC000041402809 564173812 /nfs/dbraw/zinc/17/38/12/564173812.db2.gz ZNMUTBGTUIAIHU-CZUORRHYSA-N 1 2 332.473 3.564 50 0 EHAALO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCOc2ccccc21 ZINC000076796788 564176522 /nfs/dbraw/zinc/17/65/22/564176522.db2.gz MKIPXULBBBOVBR-HNNXBMFYSA-N 1 2 337.354 3.516 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000581806578 1132368370 /nfs/dbraw/zinc/36/83/70/1132368370.db2.gz SZUSEXMDKAVJJV-SFHVURJKSA-N 1 2 335.407 3.929 50 0 EHAALO [NH3+]Cc1nc(C(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)co1 ZINC000952975078 1137484615 /nfs/dbraw/zinc/48/46/15/1137484615.db2.gz DEMKTMSBHYBZQS-UHFFFAOYSA-N 1 2 327.771 3.706 50 0 EHAALO Fc1ccc2c(C3=CC[N@H+](Cc4nc(C5CC5)no4)CC3)c[nH]c2c1 ZINC000052823830 214148455 /nfs/dbraw/zinc/14/84/55/214148455.db2.gz HMCXDVPEVWKAKB-UHFFFAOYSA-N 1 2 338.386 3.857 50 0 EHAALO Fc1ccc2c(C3=CC[N@@H+](Cc4nc(C5CC5)no4)CC3)c[nH]c2c1 ZINC000052823830 214148459 /nfs/dbraw/zinc/14/84/59/214148459.db2.gz HMCXDVPEVWKAKB-UHFFFAOYSA-N 1 2 338.386 3.857 50 0 EHAALO CCCCN(Cc1ccsc1)C(=O)Cc1c[nH+]c2ccccn12 ZINC000055088016 214270730 /nfs/dbraw/zinc/27/07/30/214270730.db2.gz WPELVBIJKHZEQM-UHFFFAOYSA-N 1 2 327.453 3.767 50 0 EHAALO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(F)c(F)c1 ZINC000049580953 214020058 /nfs/dbraw/zinc/02/00/58/214020058.db2.gz IREBIZXNLBFQTF-QWRGUYRKSA-N 1 2 329.350 3.613 50 0 EHAALO CC[NH+](CC)Cc1nnc2sc(-c3ccc(C(C)(C)C)cc3)nn12 ZINC000065362217 214875395 /nfs/dbraw/zinc/87/53/95/214875395.db2.gz TWUXGRXAVNZABX-UHFFFAOYSA-N 1 2 343.500 3.992 50 0 EHAALO CC1=[NH+]C[C@@H]2CN=C(c3ccccc3F)c3cc(Cl)ccc3N12 ZINC000066331803 215034684 /nfs/dbraw/zinc/03/46/84/215034684.db2.gz UUGUSEWJNOCDEF-CYBMUJFWSA-N 1 2 327.790 3.937 50 0 EHAALO CCn1cc[nH+]c1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066850975 215087411 /nfs/dbraw/zinc/08/74/11/215087411.db2.gz BAFWYWOGVDDYGC-OAHLLOKOSA-N 1 2 340.254 3.783 50 0 EHAALO COc1ccccc1C[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000003429388 210037555 /nfs/dbraw/zinc/03/75/55/210037555.db2.gz XDXPCXCXSNMAHX-UHFFFAOYSA-N 1 2 334.419 3.919 50 0 EHAALO COc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000003429388 210037558 /nfs/dbraw/zinc/03/75/58/210037558.db2.gz XDXPCXCXSNMAHX-UHFFFAOYSA-N 1 2 334.419 3.919 50 0 EHAALO Cc1cc(C)c(C(=O)C[NH+]2CCN(c3ccccc3C)CC2)c(C)c1 ZINC000067206468 215123619 /nfs/dbraw/zinc/12/36/19/215123619.db2.gz NBCTVAIBFZBVOC-UHFFFAOYSA-N 1 2 336.479 3.925 50 0 EHAALO CCc1nc(C[NH2+]Cc2cccc(C(=O)N[C@@H](C)CC)c2)cs1 ZINC000067212792 215125721 /nfs/dbraw/zinc/12/57/21/215125721.db2.gz NOZFGFOWOHDTBY-ZDUSSCGKSA-N 1 2 331.485 3.524 50 0 EHAALO Cc1nn(C)c(C)c1C[N@@H+](Cc1nc2c(ccc(C)c2C)[nH]1)C(C)C ZINC000067820474 215221309 /nfs/dbraw/zinc/22/13/09/215221309.db2.gz XPBXTQNFYUBICV-UHFFFAOYSA-N 1 2 339.487 3.941 50 0 EHAALO Cc1nn(C)c(C)c1C[N@H+](Cc1nc2c(ccc(C)c2C)[nH]1)C(C)C ZINC000067820474 215221312 /nfs/dbraw/zinc/22/13/12/215221312.db2.gz XPBXTQNFYUBICV-UHFFFAOYSA-N 1 2 339.487 3.941 50 0 EHAALO Cc1nn(C)c(C)c1C[N@@H+](Cc1nc2ccc(C)c(C)c2[nH]1)C(C)C ZINC000067820474 215221316 /nfs/dbraw/zinc/22/13/16/215221316.db2.gz XPBXTQNFYUBICV-UHFFFAOYSA-N 1 2 339.487 3.941 50 0 EHAALO Cc1nn(C)c(C)c1C[N@H+](Cc1nc2ccc(C)c(C)c2[nH]1)C(C)C ZINC000067820474 215221318 /nfs/dbraw/zinc/22/13/18/215221318.db2.gz XPBXTQNFYUBICV-UHFFFAOYSA-N 1 2 339.487 3.941 50 0 EHAALO O=c1c2ccccc2cnn1C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000068877549 215341993 /nfs/dbraw/zinc/34/19/93/215341993.db2.gz HFDAODBBKQNUHU-UHFFFAOYSA-N 1 2 339.826 3.676 50 0 EHAALO CCC[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000040501130 213324742 /nfs/dbraw/zinc/32/47/42/213324742.db2.gz JNMNAKJKOBEOAV-GOSISDBHSA-N 1 2 349.438 3.608 50 0 EHAALO CC(C)(C)c1noc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)n1 ZINC000040051163 213255015 /nfs/dbraw/zinc/25/50/15/213255015.db2.gz HSDXQOBLIKWCHL-CYBMUJFWSA-N 1 2 335.473 3.610 50 0 EHAALO CC(C)(C)c1noc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)n1 ZINC000040051163 213255017 /nfs/dbraw/zinc/25/50/17/213255017.db2.gz HSDXQOBLIKWCHL-CYBMUJFWSA-N 1 2 335.473 3.610 50 0 EHAALO Cn1cc[nH+]c1CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000183350091 235021177 /nfs/dbraw/zinc/02/11/77/235021177.db2.gz MNQWTFMSXQWUPH-GFCCVEGCSA-N 1 2 337.267 3.832 50 0 EHAALO CCc1[nH]c2cc(CCC(=O)NCCCc3ccccc3)ccc2[nH+]1 ZINC000035527757 213036881 /nfs/dbraw/zinc/03/68/81/213036881.db2.gz XBOMWERUSOHFRR-UHFFFAOYSA-N 1 2 335.451 3.807 50 0 biogenic EHAALO CCc1[nH]c2ccc(CCC(=O)NCCCc3ccccc3)cc2[nH+]1 ZINC000035527757 213036884 /nfs/dbraw/zinc/03/68/84/213036884.db2.gz XBOMWERUSOHFRR-UHFFFAOYSA-N 1 2 335.451 3.807 50 0 biogenic EHAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCc3ccccc3C2)no1 ZINC000035267958 213016375 /nfs/dbraw/zinc/01/63/75/213016375.db2.gz ABZDRVPYWPSBOH-HXUWFJFHSA-N 1 2 347.418 3.721 50 0 EHAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCc3ccccc3C2)no1 ZINC000035267958 213016378 /nfs/dbraw/zinc/01/63/78/213016378.db2.gz ABZDRVPYWPSBOH-HXUWFJFHSA-N 1 2 347.418 3.721 50 0 EHAALO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@@H]1c1ccccc1 ZINC000071820852 215849690 /nfs/dbraw/zinc/84/96/90/215849690.db2.gz BVEALGIQQLBDJA-RTBURBONSA-N 1 2 335.451 3.662 50 0 EHAALO CC(C)c1nccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000072140208 216025863 /nfs/dbraw/zinc/02/58/63/216025863.db2.gz DQFSOXKCDNYHPG-UHFFFAOYSA-N 1 2 344.890 3.571 50 0 EHAALO CC(C)c1nccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000072140208 216025866 /nfs/dbraw/zinc/02/58/66/216025866.db2.gz DQFSOXKCDNYHPG-UHFFFAOYSA-N 1 2 344.890 3.571 50 0 EHAALO COc1ccc(-c2[nH+]ccn2-c2cccc(NC(C)=O)c2)cc1OC ZINC000072163019 216052265 /nfs/dbraw/zinc/05/22/65/216052265.db2.gz BXFOYQGVGLPDRE-UHFFFAOYSA-N 1 2 337.379 3.515 50 0 EHAALO C[C@@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023112875 212347929 /nfs/dbraw/zinc/34/79/29/212347929.db2.gz BCEHJHPHQRNKTA-OAHLLOKOSA-N 1 2 349.409 3.920 50 0 EHAALO CCc1nc2n(n1)C(=O)C([C@H](c1cccc(C)c1)[NH+]1CCCC1)S2 ZINC000022852966 212329469 /nfs/dbraw/zinc/32/94/69/212329469.db2.gz OXRXORARAJCLCV-HNNXBMFYSA-N 1 2 342.468 3.552 50 0 EHAALO Cn1c[nH+]cc1CCC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000193379353 240137570 /nfs/dbraw/zinc/13/75/70/240137570.db2.gz VZSXGBTVLAQBHK-NRFANRHFSA-N 1 2 345.446 3.679 50 0 EHAALO COc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc(Cl)c1OC ZINC000216144127 241165929 /nfs/dbraw/zinc/16/59/29/241165929.db2.gz OXYAWDUTOHPYHT-HUUCEWRRSA-N 1 2 325.836 3.501 50 0 EHAALO COc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc(Cl)c1OC ZINC000216144127 241165936 /nfs/dbraw/zinc/16/59/36/241165936.db2.gz OXYAWDUTOHPYHT-HUUCEWRRSA-N 1 2 325.836 3.501 50 0 EHAALO CCOC(=O)c1c(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)oc2ccccc21 ZINC000230186278 242245306 /nfs/dbraw/zinc/24/53/06/242245306.db2.gz IASAEEYNPIUAJF-NVXWUHKLSA-N 1 2 343.423 3.753 50 0 EHAALO CCOC(=O)c1c(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)oc2ccccc21 ZINC000230186278 242245310 /nfs/dbraw/zinc/24/53/10/242245310.db2.gz IASAEEYNPIUAJF-NVXWUHKLSA-N 1 2 343.423 3.753 50 0 EHAALO Cc1ccc(-c2nc(C[NH+]3CCC(c4ccnc(C)n4)CC3)no2)cc1 ZINC000244787758 243082370 /nfs/dbraw/zinc/08/23/70/243082370.db2.gz QDDHLBXXIQCJGA-UHFFFAOYSA-N 1 2 349.438 3.523 50 0 EHAALO Cc1ccsc1C[N@@H+](Cc1noc([C@@H]2CCCO2)n1)CC(C)C ZINC000244734737 243069729 /nfs/dbraw/zinc/06/97/29/243069729.db2.gz NKZTXUYJRWTPHR-AWEZNQCLSA-N 1 2 335.473 3.949 50 0 EHAALO Cc1ccsc1C[N@H+](Cc1noc([C@@H]2CCCO2)n1)CC(C)C ZINC000244734737 243069747 /nfs/dbraw/zinc/06/97/47/243069747.db2.gz NKZTXUYJRWTPHR-AWEZNQCLSA-N 1 2 335.473 3.949 50 0 EHAALO Cc1cccc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000020407966 212127306 /nfs/dbraw/zinc/12/73/06/212127306.db2.gz RJXCAIRDYICICD-UHFFFAOYSA-N 1 2 328.843 3.606 50 0 EHAALO Fc1ccccc1-c1n[nH]c2c1C[N@H+](Cc1nc3ccccc3[nH]1)CC2 ZINC000020166078 212108642 /nfs/dbraw/zinc/10/86/42/212108642.db2.gz RZUMKHFVZASITQ-UHFFFAOYSA-N 1 2 347.397 3.650 50 0 EHAALO Fc1ccccc1-c1n[nH]c2c1C[N@@H+](Cc1nc3ccccc3[nH]1)CC2 ZINC000020166078 212108644 /nfs/dbraw/zinc/10/86/44/212108644.db2.gz RZUMKHFVZASITQ-UHFFFAOYSA-N 1 2 347.397 3.650 50 0 EHAALO Cc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019928318 212085245 /nfs/dbraw/zinc/08/52/45/212085245.db2.gz MYNTTZVZSLKWQT-UHFFFAOYSA-N 1 2 334.419 3.699 50 0 EHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc2ccccc21 ZINC000019922525 212084810 /nfs/dbraw/zinc/08/48/10/212084810.db2.gz SPUJLFQDPYTEGW-UHFFFAOYSA-N 1 2 346.430 3.924 50 0 EHAALO O=C1S/C(=C/c2ccccc2Cl)C(=O)N1C[NH+]1CCCCC1 ZINC000019287112 212009702 /nfs/dbraw/zinc/00/97/02/212009702.db2.gz WBTOBXWCPOEQED-GXDHUFHOSA-N 1 2 336.844 3.820 50 0 EHAALO O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCc1[nH]cc[nH+]1 ZINC000012439330 211382358 /nfs/dbraw/zinc/38/23/58/211382358.db2.gz VUWCSDJDQSPIIW-KRWDZBQOSA-N 1 2 339.826 3.902 50 0 EHAALO CCn1ccnc1C[N@@H+]1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012314274 211341199 /nfs/dbraw/zinc/34/11/99/211341199.db2.gz ITSDFZMVAJLIHR-OAHLLOKOSA-N 1 2 331.847 3.651 50 0 EHAALO CCn1ccnc1C[N@H+]1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012314274 211341200 /nfs/dbraw/zinc/34/12/00/211341200.db2.gz ITSDFZMVAJLIHR-OAHLLOKOSA-N 1 2 331.847 3.651 50 0 EHAALO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCc3sccc3C2)cc1 ZINC000010093611 211146933 /nfs/dbraw/zinc/14/69/33/211146933.db2.gz UMKZRBUJIZEJBS-CQSZACIVSA-N 1 2 328.481 3.546 50 0 EHAALO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCc3sccc3C2)cc1 ZINC000010093611 211146938 /nfs/dbraw/zinc/14/69/38/211146938.db2.gz UMKZRBUJIZEJBS-CQSZACIVSA-N 1 2 328.481 3.546 50 0 EHAALO C[N@H+](Cc1cnc[nH]1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000093085499 218192032 /nfs/dbraw/zinc/19/20/32/218192032.db2.gz ZHPLDRYSRQHWLB-CYBMUJFWSA-N 1 2 338.274 3.841 50 0 EHAALO C[N@@H+](Cc1cnc[nH]1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000093085499 218192035 /nfs/dbraw/zinc/19/20/35/218192035.db2.gz ZHPLDRYSRQHWLB-CYBMUJFWSA-N 1 2 338.274 3.841 50 0 EHAALO C[N@H+](Cc1c[nH]cn1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000093085499 218192037 /nfs/dbraw/zinc/19/20/37/218192037.db2.gz ZHPLDRYSRQHWLB-CYBMUJFWSA-N 1 2 338.274 3.841 50 0 EHAALO C[N@@H+](Cc1c[nH]cn1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000093085499 218192039 /nfs/dbraw/zinc/19/20/39/218192039.db2.gz ZHPLDRYSRQHWLB-CYBMUJFWSA-N 1 2 338.274 3.841 50 0 EHAALO CN(C)c1[nH+]cccc1NC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000095350705 218285056 /nfs/dbraw/zinc/28/50/56/218285056.db2.gz LROWGAHTJXXTRW-UHFFFAOYSA-N 1 2 329.403 3.971 50 0 EHAALO CC(C)(C)c1ccc(C(=O)CCC[N@@H+]2CCc3nc[nH]c3C2)cc1 ZINC000095369807 218302863 /nfs/dbraw/zinc/30/28/63/218302863.db2.gz NGQDZDRRRWYYAK-UHFFFAOYSA-N 1 2 325.456 3.728 50 0 EHAALO CC(C)(C)c1ccc(C(=O)CCC[N@H+]2CCc3nc[nH]c3C2)cc1 ZINC000095369807 218302866 /nfs/dbraw/zinc/30/28/66/218302866.db2.gz NGQDZDRRRWYYAK-UHFFFAOYSA-N 1 2 325.456 3.728 50 0 EHAALO c1csc(-c2nnc(C[NH+]3CCC(Nc4ccccc4)CC3)o2)c1 ZINC000095431819 218373744 /nfs/dbraw/zinc/37/37/44/218373744.db2.gz KVYQAQPHUXLFRR-UHFFFAOYSA-N 1 2 340.452 3.875 50 0 EHAALO CCc1cccc(OC2CN(C(=O)c3ccccc3-c3[nH]cc[nH+]3)C2)c1 ZINC000097514447 219032489 /nfs/dbraw/zinc/03/24/89/219032489.db2.gz INWZJROOYSBXKY-UHFFFAOYSA-N 1 2 347.418 3.543 50 0 EHAALO Cc1cc2[nH]c(CCC(=O)N(C)CCC[C@H]3CCCO3)[nH+]c2cc1C ZINC000299791074 258096596 /nfs/dbraw/zinc/09/65/96/258096596.db2.gz DBQPESBVDRCREZ-INIZCTEOSA-N 1 2 343.471 3.530 50 0 EHAALO CC(C)n1cc[nH+]c1-c1cccc(C(=O)NCCCc2ccccn2)c1 ZINC000299756300 258074863 /nfs/dbraw/zinc/07/48/63/258074863.db2.gz LGYSPJBUEMOVNA-UHFFFAOYSA-N 1 2 348.450 3.889 50 0 EHAALO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCN(c4ccccc4)CC3)o2)cc1 ZINC000057293389 132199276 /nfs/dbraw/zinc/19/92/76/132199276.db2.gz XFEPWXRIHLBWET-KRWDZBQOSA-N 1 2 348.450 3.928 50 0 EHAALO C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(c2ccccc2)CC1 ZINC000035945932 132391115 /nfs/dbraw/zinc/39/11/15/132391115.db2.gz CXGRWMLULHGNDS-MRXNPFEDSA-N 1 2 333.435 3.561 50 0 EHAALO COc1cccc(C[N@@H+]2CCN(c3ccc(C)c(C)c3)C(=O)[C@@H]2C)c1 ZINC000037519870 132395020 /nfs/dbraw/zinc/39/50/20/132395020.db2.gz NUTOGNWADFRTIJ-KRWDZBQOSA-N 1 2 338.451 3.549 50 0 EHAALO COc1cccc(C[N@H+]2CCN(c3ccc(C)c(C)c3)C(=O)[C@@H]2C)c1 ZINC000037519870 132395022 /nfs/dbraw/zinc/39/50/22/132395022.db2.gz NUTOGNWADFRTIJ-KRWDZBQOSA-N 1 2 338.451 3.549 50 0 EHAALO CC(C)c1cc([C@H]2CCC[N@@H+]2CCn2c3ccccc3oc2=O)no1 ZINC000215362277 535370219 /nfs/dbraw/zinc/37/02/19/535370219.db2.gz VCOYBHYJODLHQS-OAHLLOKOSA-N 1 2 341.411 3.543 50 0 EHAALO CC(C)c1cc([C@H]2CCC[N@H+]2CCn2c3ccccc3oc2=O)no1 ZINC000215362277 535370220 /nfs/dbraw/zinc/37/02/20/535370220.db2.gz VCOYBHYJODLHQS-OAHLLOKOSA-N 1 2 341.411 3.543 50 0 EHAALO Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc(C(C)C)n1 ZINC000032717208 563699711 /nfs/dbraw/zinc/69/97/11/563699711.db2.gz ITDCSSYBBGVZFT-UHFFFAOYSA-N 1 2 344.890 3.884 50 0 EHAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1cc(-c2ccccc2)on1 ZINC000032764963 563729584 /nfs/dbraw/zinc/72/95/84/563729584.db2.gz LLNNGTKCURGKDS-CQSZACIVSA-N 1 2 348.406 3.532 50 0 EHAALO Cc1cccn2cc(COC(=O)CCc3c[nH]c4ccccc34)[nH+]c12 ZINC000014674720 563762720 /nfs/dbraw/zinc/76/27/20/563762720.db2.gz WRLNZRGPSKDNKC-UHFFFAOYSA-N 1 2 333.391 3.800 50 0 EHAALO NC(=O)[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000026220444 563890403 /nfs/dbraw/zinc/89/04/03/563890403.db2.gz YPNIZHFLOFVGLC-GOSISDBHSA-N 1 2 340.810 3.916 50 0 EHAALO O=C(NC1(c2ccccc2)CCCC1)c1ccc(Cn2cc[nH+]c2)o1 ZINC000070954152 563912194 /nfs/dbraw/zinc/91/21/94/563912194.db2.gz MPGSOIUYLWMENU-UHFFFAOYSA-N 1 2 335.407 3.724 50 0 EHAALO CCCNC(=O)c1cccc(C[NH2+]Cc2csc(C(C)C)n2)c1 ZINC000058179815 563939147 /nfs/dbraw/zinc/93/91/47/563939147.db2.gz XOOGLSUZMWOUCS-UHFFFAOYSA-N 1 2 331.485 3.696 50 0 EHAALO O=C(Cn1cc[nH+]c1)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000096427160 563952213 /nfs/dbraw/zinc/95/22/13/563952213.db2.gz MFJMGAMKEZGLIA-INIZCTEOSA-N 1 2 331.828 3.504 50 0 EHAALO Cc1csc(Sc2ccc(NC(=O)NCc3[nH]cc[nH+]3)cc2)n1 ZINC000096485757 563955479 /nfs/dbraw/zinc/95/54/79/563955479.db2.gz CJXPYJMJUKOLFI-UHFFFAOYSA-N 1 2 345.453 3.648 50 0 EHAALO CCCCc1[nH]c(CN(C)Cc2nc(-c3cccc(C)c3)no2)c[nH+]1 ZINC000063855354 563956162 /nfs/dbraw/zinc/95/61/62/563956162.db2.gz UGIHOLADTNWZKP-UHFFFAOYSA-N 1 2 339.443 3.743 50 0 EHAALO CCCCc1[nH]cc(CN(C)Cc2nc(-c3cccc(C)c3)no2)[nH+]1 ZINC000063855354 563956164 /nfs/dbraw/zinc/95/61/64/563956164.db2.gz UGIHOLADTNWZKP-UHFFFAOYSA-N 1 2 339.443 3.743 50 0 EHAALO FC(F)(F)c1cccc(C[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1 ZINC000065405810 563960119 /nfs/dbraw/zinc/96/01/19/563960119.db2.gz BEQFOGJUESVQGW-KRWDZBQOSA-N 1 2 336.357 3.544 50 0 EHAALO FC(F)(F)c1cccc(C[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1 ZINC000065405810 563960121 /nfs/dbraw/zinc/96/01/21/563960121.db2.gz BEQFOGJUESVQGW-KRWDZBQOSA-N 1 2 336.357 3.544 50 0 EHAALO Clc1ccccc1-n1nc(C2CC2)nc1C[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000065406434 563960212 /nfs/dbraw/zinc/96/02/12/563960212.db2.gz UKCSOFUDKHYOLO-OCCSQVGLSA-N 1 2 328.847 3.782 50 0 EHAALO Clc1ccccc1-n1nc(C2CC2)nc1C[N@H+]1C[C@@H]2CC[C@H]1C2 ZINC000065406434 563960213 /nfs/dbraw/zinc/96/02/13/563960213.db2.gz UKCSOFUDKHYOLO-OCCSQVGLSA-N 1 2 328.847 3.782 50 0 EHAALO Cc1cc(N[C@@H](C)c2cn3ccsc3n2)nc(-c2cccnc2)[nH+]1 ZINC000065494826 563961567 /nfs/dbraw/zinc/96/15/67/563961567.db2.gz PURREZRSZUQWJP-LBPRGKRZSA-N 1 2 336.424 3.729 50 0 EHAALO COc1ccc2cc([C@@H]3CN(c4cc[nH+]c(C)n4)CCO3)ccc2c1 ZINC000071405785 563964294 /nfs/dbraw/zinc/96/42/94/563964294.db2.gz QXMKURWYCUWTEA-IBGZPJMESA-N 1 2 335.407 3.525 50 0 EHAALO O=C(C1CC1)N1CCC[C@@H](Cn2cc[nH+]c2-c2ccc3occc3c2)C1 ZINC000071746460 563964959 /nfs/dbraw/zinc/96/49/59/563964959.db2.gz AFBXFXUQUFMMSS-HNNXBMFYSA-N 1 2 349.434 3.945 50 0 EHAALO CCOc1ccccc1-c1[nH+]ccn1CCc1nc2c(c(C)n1)CCC2 ZINC000071749154 563965075 /nfs/dbraw/zinc/96/50/75/563965075.db2.gz SGVZJABOTWSOSE-UHFFFAOYSA-N 1 2 348.450 3.779 50 0 EHAALO CCc1nc(Cn2cc[nH+]c2-c2c(C)cc(C)c(C(C)=O)c2C)no1 ZINC000071753705 563965219 /nfs/dbraw/zinc/96/52/19/563965219.db2.gz PVPTWBKWRJQPMK-UHFFFAOYSA-N 1 2 338.411 3.672 50 0 EHAALO CCC[C@@H](NC(=O)c1oc2c(cccc2F)c1C)c1[nH+]ccn1C ZINC000077406198 563969448 /nfs/dbraw/zinc/96/94/48/563969448.db2.gz UPLQBVZPWXAADA-CQSZACIVSA-N 1 2 329.375 3.885 50 0 EHAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000082106797 563972252 /nfs/dbraw/zinc/97/22/52/563972252.db2.gz WFUUDZNVYAIJIP-LJQANCHMSA-N 1 2 333.435 3.522 50 0 EHAALO CC(C)(C)C(=O)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000082162042 563972836 /nfs/dbraw/zinc/97/28/36/563972836.db2.gz XYMVTHRURZRZEV-UHFFFAOYSA-N 1 2 325.456 3.684 50 0 EHAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1sc3ccccc3c1Cl)C2 ZINC000097198889 563973271 /nfs/dbraw/zinc/97/32/71/563973271.db2.gz WZMOTRSENXSUJA-NSHDSACASA-N 1 2 345.855 3.804 50 0 EHAALO COc1ccc([C@@H](CC(=O)NCc2[nH]c[nH+]c2C)c2ccccc2)cc1 ZINC000095530368 563977562 /nfs/dbraw/zinc/97/75/62/563977562.db2.gz GENXODXYOXSRAY-IBGZPJMESA-N 1 2 349.434 3.565 50 0 EHAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000024050766 563991615 /nfs/dbraw/zinc/99/16/15/563991615.db2.gz HTVUEZXYNFCKDJ-UHFFFAOYSA-N 1 2 342.402 3.552 50 0 EHAALO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000103136805 564021462 /nfs/dbraw/zinc/02/14/62/564021462.db2.gz XFHZKPZIRWGAGR-ZWOKBUDYSA-N 1 2 338.451 3.784 50 0 EHAALO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000047297440 564026082 /nfs/dbraw/zinc/02/60/82/564026082.db2.gz AQERBHVYDVKCNW-NRFANRHFSA-N 1 2 345.446 3.779 50 0 EHAALO O=C1SCCN1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000044895387 564027567 /nfs/dbraw/zinc/02/75/67/564027567.db2.gz PUQNSKHCWYWAHB-UHFFFAOYSA-N 1 2 333.482 3.602 50 0 EHAALO Cc1oc(-c2ccccc2)nc1CNC[C@@H](c1ccco1)[NH+](C)C ZINC000048261122 564030304 /nfs/dbraw/zinc/03/03/04/564030304.db2.gz LFSWGJDVPQMKPD-KRWDZBQOSA-N 1 2 325.412 3.636 50 0 EHAALO Fc1ccccc1C[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000048313660 564031032 /nfs/dbraw/zinc/03/10/32/564031032.db2.gz VUFIJBCZNLWDNM-UHFFFAOYSA-N 1 2 334.192 3.526 50 0 EHAALO O=C(Cc1cccs1)Nc1cccc2ccc(-n3cc[nH+]c3)nc21 ZINC000049028058 564032449 /nfs/dbraw/zinc/03/24/49/564032449.db2.gz LZHYLEKRNMBGKF-UHFFFAOYSA-N 1 2 334.404 3.663 50 0 EHAALO CC[C@@H](Cn1cc[nH+]c1)NC(=O)C1c2ccccc2-c2ccccc21 ZINC000223751930 564040773 /nfs/dbraw/zinc/04/07/73/564040773.db2.gz YYSUFDHMORHXIW-HNNXBMFYSA-N 1 2 331.419 3.590 50 0 EHAALO COC(=O)c1cnoc1C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000241316853 564051973 /nfs/dbraw/zinc/05/19/73/564051973.db2.gz LVLUHIMBXZSOEI-MRVPVSSYSA-N 1 2 329.183 3.619 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000012550778 564059142 /nfs/dbraw/zinc/05/91/42/564059142.db2.gz HJBIZIVJRCCZCC-MRXNPFEDSA-N 1 2 325.799 3.593 50 0 EHAALO Cc1cccn2cc(CSc3nnc(Cc4ccccc4)n3C)[nH+]c12 ZINC000044177007 564059677 /nfs/dbraw/zinc/05/96/77/564059677.db2.gz FGOWHMGGIVWXEW-UHFFFAOYSA-N 1 2 349.463 3.654 50 0 EHAALO Cc1cccn2cc(C[S@@](=O)Cc3c(F)cccc3Cl)[nH+]c12 ZINC000083944207 564065056 /nfs/dbraw/zinc/06/50/56/564065056.db2.gz GJEQSOBFEAUFJO-QFIPXVFZSA-N 1 2 336.819 3.884 50 0 EHAALO Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000084148729 564067006 /nfs/dbraw/zinc/06/70/06/564067006.db2.gz GBCITEVTVQYJNI-IEBWSBKVSA-N 1 2 340.471 3.764 50 0 EHAALO Cn1c2c([nH+]c1C1CC1)CN(Cc1csc(-c3ccco3)n1)CC2 ZINC000084310924 564067740 /nfs/dbraw/zinc/06/77/40/564067740.db2.gz SCPZFPLOHSQJCM-UHFFFAOYSA-N 1 2 340.452 3.572 50 0 EHAALO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000084647616 564069366 /nfs/dbraw/zinc/06/93/66/564069366.db2.gz XWMBNGCTEOMRQT-OAHLLOKOSA-N 1 2 334.419 3.968 50 0 EHAALO Cc1cc(NC(=O)Cc2cn3ccccc3[nH+]2)ccc1Br ZINC000012814068 564073066 /nfs/dbraw/zinc/07/30/66/564073066.db2.gz LKCVTHJPIMXVFC-UHFFFAOYSA-N 1 2 344.212 3.586 50 0 EHAALO CC(C)[C@@H](C)Nc1ccc(Cl)c(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000075146560 564080751 /nfs/dbraw/zinc/08/07/51/564080751.db2.gz XKWUUENZPSBRMF-CQSZACIVSA-N 1 2 348.878 3.813 50 0 EHAALO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000089346137 564089736 /nfs/dbraw/zinc/08/97/36/564089736.db2.gz PVFSAPIZEHYGKA-UHFFFAOYSA-N 1 2 342.443 3.759 50 0 EHAALO Cc1nc(C)c(C(=O)OCCCn2c(C)[nH+]c3ccccc32)s1 ZINC000064688171 564095415 /nfs/dbraw/zinc/09/54/15/564095415.db2.gz ZOOAPMRCVOICEN-UHFFFAOYSA-N 1 2 329.425 3.665 50 0 EHAALO CCN(CC)c1cc(CCC(=O)NCc2ccccc2Cl)cc[nH+]1 ZINC000065270024 564103820 /nfs/dbraw/zinc/10/38/20/564103820.db2.gz AYLQFCFHOLKCRU-UHFFFAOYSA-N 1 2 345.874 3.830 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1oc2ccccc2c1C ZINC000007256507 564106083 /nfs/dbraw/zinc/10/60/83/564106083.db2.gz RDENWZOMDYOKQA-UHFFFAOYSA-N 1 2 333.391 3.829 50 0 EHAALO O=C(N[C@H](Cc1[nH+]ccn1C(F)F)c1ccccc1)c1ccccc1 ZINC000065523557 564106863 /nfs/dbraw/zinc/10/68/63/564106863.db2.gz WVUGPYSKTWQLAS-MRXNPFEDSA-N 1 2 341.361 3.992 50 0 EHAALO CO[C@@H](C)CCOC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000089895595 564114893 /nfs/dbraw/zinc/11/48/93/564114893.db2.gz VATLEGMZYHLOGO-SFHVURJKSA-N 1 2 341.451 3.657 50 0 EHAALO C[C@H](C[NH2+][C@@H](c1ncon1)c1ccc(F)c(F)c1)c1ccccc1 ZINC000194527028 564121581 /nfs/dbraw/zinc/12/15/81/564121581.db2.gz BHIHKRYHEGWECL-SJKOYZFVSA-N 1 2 329.350 3.831 50 0 EHAALO COC(C)(C)c1csc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000253392566 564130442 /nfs/dbraw/zinc/13/04/42/564130442.db2.gz NBUOSSWCUYZHMC-HNNXBMFYSA-N 1 2 332.469 3.598 50 0 EHAALO COC(C)(C)c1csc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000253392566 564130443 /nfs/dbraw/zinc/13/04/43/564130443.db2.gz NBUOSSWCUYZHMC-HNNXBMFYSA-N 1 2 332.469 3.598 50 0 EHAALO COC(=O)[C@H](C)[C@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1ccccc1 ZINC000079923655 564138395 /nfs/dbraw/zinc/13/83/95/564138395.db2.gz CPEHGQVJWLSSKR-VLIAUNLRSA-N 1 2 349.434 3.578 50 0 EHAALO OC1(c2ccc(-c3ccccc3)cc2)CC[NH+](Cc2cnc[nH]2)CC1 ZINC000280219843 564141767 /nfs/dbraw/zinc/14/17/67/564141767.db2.gz KZVYKNKOTAOZMP-UHFFFAOYSA-N 1 2 333.435 3.560 50 0 EHAALO CCc1nc([C@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)no1 ZINC000095953665 564142440 /nfs/dbraw/zinc/14/24/40/564142440.db2.gz YTLYPPWDEXGXSH-LBPRGKRZSA-N 1 2 344.440 3.728 50 0 EHAALO CCc1nc([C@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)no1 ZINC000095953665 564142441 /nfs/dbraw/zinc/14/24/41/564142441.db2.gz YTLYPPWDEXGXSH-LBPRGKRZSA-N 1 2 344.440 3.728 50 0 EHAALO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000095969202 564143392 /nfs/dbraw/zinc/14/33/92/564143392.db2.gz RZEBTDOGRXEGLG-RISCZKNCSA-N 1 2 327.457 3.636 50 0 EHAALO O=C(NCCc1cscn1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000095973939 564143497 /nfs/dbraw/zinc/14/34/97/564143497.db2.gz NTJSHKRUQVASCM-UHFFFAOYSA-N 1 2 340.408 3.695 50 0 EHAALO O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CCc2[nH+]ccn2C1 ZINC000097197383 564149577 /nfs/dbraw/zinc/14/95/77/564149577.db2.gz BYYIKEXGMVNQER-IBGZPJMESA-N 1 2 345.446 3.536 50 0 EHAALO Cc1cccn2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)[nH+]c12 ZINC000002960803 564153842 /nfs/dbraw/zinc/15/38/42/564153842.db2.gz WDKQXAIWQZHPGR-UHFFFAOYSA-N 1 2 333.313 3.592 50 0 EHAALO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cccc2ccccc21 ZINC000057756215 564155715 /nfs/dbraw/zinc/15/57/15/564155715.db2.gz TUNGUESZIGVXBR-UHFFFAOYSA-N 1 2 347.340 3.871 50 0 EHAALO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008226204 564163699 /nfs/dbraw/zinc/16/36/99/564163699.db2.gz XRTIYSFGFXZDOA-LBPRGKRZSA-N 1 2 334.872 3.811 50 0 EHAALO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008226204 564163700 /nfs/dbraw/zinc/16/37/00/564163700.db2.gz XRTIYSFGFXZDOA-LBPRGKRZSA-N 1 2 334.872 3.811 50 0 EHAALO C[NH+](C)Cc1nc(C(=O)N[C@H](CC(C)(C)C)c2cccnc2)cs1 ZINC000670470293 564164408 /nfs/dbraw/zinc/16/44/08/564164408.db2.gz XKAIHHCXCGADAC-CQSZACIVSA-N 1 2 346.500 3.507 50 0 EHAALO CC[C@@H](C)Sc1ccc(NC(=O)NCCn2cc[nH+]c2)c(C)c1 ZINC000069564209 564170477 /nfs/dbraw/zinc/17/04/77/564170477.db2.gz RIXKQKCDVBCEPB-CQSZACIVSA-N 1 2 332.473 3.904 50 0 EHAALO O=C(c1cc2c(s1)CCCCC2)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069662099 564171341 /nfs/dbraw/zinc/17/13/41/564171341.db2.gz UFORHWSQJTYRHV-HNNXBMFYSA-N 1 2 329.469 3.691 50 0 EHAALO Cc1cc(C)n(C2C[NH+](Cc3ccc(OCc4ccccn4)cc3)C2)n1 ZINC000071880757 564176370 /nfs/dbraw/zinc/17/63/70/564176370.db2.gz OISWHIUAUGNOQC-UHFFFAOYSA-N 1 2 348.450 3.531 50 0 EHAALO COc1ccccc1-c1ncc(C[N@H+](C)[C@@H](C)c2ccccn2)cn1 ZINC000430068544 1025916601 /nfs/dbraw/zinc/91/66/01/1025916601.db2.gz FZQCTYOSOANPGQ-HNNXBMFYSA-N 1 2 334.423 3.740 50 0 EHAALO COc1ccccc1-c1ncc(C[N@@H+](C)[C@@H](C)c2ccccn2)cn1 ZINC000430068544 1025916611 /nfs/dbraw/zinc/91/66/11/1025916611.db2.gz FZQCTYOSOANPGQ-HNNXBMFYSA-N 1 2 334.423 3.740 50 0 EHAALO CCc1nnc(C2CC[NH+](Cc3nc4cc(C)ccc4s3)CC2)[nH]1 ZINC000528477875 1127718853 /nfs/dbraw/zinc/71/88/53/1127718853.db2.gz QFUFMVUXKKDYBC-UHFFFAOYSA-N 1 2 341.484 3.665 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1C1CCN(C(=O)c2ccoc2)CC1 ZINC000581808919 1132370824 /nfs/dbraw/zinc/37/08/24/1132370824.db2.gz ZRQNPUFOTXWQHA-UHFFFAOYSA-N 1 2 335.407 3.929 50 0 EHAALO CCOc1cccc(C[N@H+](CCO)Cc2nc(C(C)C)cs2)c1 ZINC000055211916 214290183 /nfs/dbraw/zinc/29/01/83/214290183.db2.gz JNPSBFJSIOSCGE-UHFFFAOYSA-N 1 2 334.485 3.660 50 0 EHAALO CCOc1cccc(C[N@@H+](CCO)Cc2nc(C(C)C)cs2)c1 ZINC000055211916 214290184 /nfs/dbraw/zinc/29/01/84/214290184.db2.gz JNPSBFJSIOSCGE-UHFFFAOYSA-N 1 2 334.485 3.660 50 0 EHAALO Cc1nn(C)c(Cl)c1/C=C\C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000098053087 219074295 /nfs/dbraw/zinc/07/42/95/219074295.db2.gz AENHNQRAGYWDFE-SREVYHEPSA-N 1 2 348.834 3.606 50 0 EHAALO CCn1c(SCc2cn3ccccc3[nH+]2)nnc1-c1ccccc1 ZINC000004277931 210159487 /nfs/dbraw/zinc/15/94/87/210159487.db2.gz DAPYQZYIVCXBIC-UHFFFAOYSA-N 1 2 335.436 3.905 50 0 EHAALO CCc1nc(C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000067188674 215121844 /nfs/dbraw/zinc/12/18/44/215121844.db2.gz SDBNQEMNSAVZBS-LLVKDONJSA-N 1 2 336.457 3.582 50 0 EHAALO Cc1ccc(C(=O)C[NH+]2CCN(c3cc(C)ccc3C)CC2)c(C)c1 ZINC000067206250 215123883 /nfs/dbraw/zinc/12/38/83/215123883.db2.gz IWUZCJFNXNMODO-UHFFFAOYSA-N 1 2 336.479 3.925 50 0 EHAALO C[C@@H](c1ccc(O)c(F)c1)n1cc[nH+]c1-c1ccc2c(c1)OCO2 ZINC000067604925 215168152 /nfs/dbraw/zinc/16/81/52/215168152.db2.gz VDEFAYVSMGBJEY-NSHDSACASA-N 1 2 326.327 3.733 50 0 EHAALO CCc1[nH]c(C)c(-c2nccn2[C@H]2CCCc3sc(C)nc32)[nH+]1 ZINC000067674790 215178217 /nfs/dbraw/zinc/17/82/17/215178217.db2.gz GILZVQCVRBCQPR-LBPRGKRZSA-N 1 2 327.457 3.835 50 0 EHAALO CC(C)n1cc[nH+]c1-c1ccc(OCC(=O)N2CCC(C)CC2)cc1 ZINC000067818466 215219767 /nfs/dbraw/zinc/21/97/67/215219767.db2.gz QQPYBOYZRIQIES-UHFFFAOYSA-N 1 2 341.455 3.768 50 0 EHAALO Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)cc1 ZINC000067955705 215259245 /nfs/dbraw/zinc/25/92/45/215259245.db2.gz JTOUAOPFBAYXAD-KRWDZBQOSA-N 1 2 333.439 3.868 50 0 EHAALO Cc1cccc2[nH+]c(CNC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)cn21 ZINC000068570200 215319834 /nfs/dbraw/zinc/31/98/34/215319834.db2.gz ZTLITOMJLRBWAS-OLZOCXBDSA-N 1 2 339.361 3.628 50 0 EHAALO C[C@H](c1nc(C2CC2)no1)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000069370540 215391348 /nfs/dbraw/zinc/39/13/48/215391348.db2.gz FWHLTXNAXMNDJD-ZIAGYGMSSA-N 1 2 344.434 3.526 50 0 EHAALO Cc1cc2[nH+]cn(CC(=O)N[C@H](C)c3ccc(F)cc3F)c2cc1C ZINC000040047151 213253959 /nfs/dbraw/zinc/25/39/59/213253959.db2.gz YWZQXUOIRYTWFT-CYBMUJFWSA-N 1 2 343.377 3.809 50 0 EHAALO Cc1cc(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)no1 ZINC000038671677 213220903 /nfs/dbraw/zinc/22/09/03/213220903.db2.gz CGDWBPVPDVECJB-UHFFFAOYSA-N 1 2 338.411 3.563 50 0 EHAALO Cc1nn2c(nc(-c3ccccc3)cc2N[C@@H](C)c2[nH]cc[nH+]2)c1C ZINC000072476701 216254005 /nfs/dbraw/zinc/25/40/05/216254005.db2.gz ASNWYYOAKRAPQH-AWEZNQCLSA-N 1 2 332.411 3.909 50 0 EHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000023701919 212391437 /nfs/dbraw/zinc/39/14/37/212391437.db2.gz BSGUQIGDNKSJLT-GFCCVEGCSA-N 1 2 327.815 3.770 50 0 EHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000023701919 212391440 /nfs/dbraw/zinc/39/14/40/212391440.db2.gz BSGUQIGDNKSJLT-GFCCVEGCSA-N 1 2 327.815 3.770 50 0 EHAALO O=C(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022907005 212333473 /nfs/dbraw/zinc/33/34/73/212333473.db2.gz IDECLVKIMHUSSS-HXUWFJFHSA-N 1 2 346.430 3.809 50 0 EHAALO O=C(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022907005 212333476 /nfs/dbraw/zinc/33/34/76/212333476.db2.gz IDECLVKIMHUSSS-HXUWFJFHSA-N 1 2 346.430 3.809 50 0 EHAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2nn(C)c3cccc(Cl)c23)on1 ZINC000214974729 241099600 /nfs/dbraw/zinc/09/96/00/241099600.db2.gz FQUQDNDDPMDRAV-AWEZNQCLSA-N 1 2 330.819 3.860 50 0 EHAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nn(C)c3cccc(Cl)c23)on1 ZINC000214974729 241099604 /nfs/dbraw/zinc/09/96/04/241099604.db2.gz FQUQDNDDPMDRAV-AWEZNQCLSA-N 1 2 330.819 3.860 50 0 EHAALO Fc1ccccc1C[N@@H+]1CCc2nc(Nc3ccccc3)ncc2C1 ZINC000021639868 212236003 /nfs/dbraw/zinc/23/60/03/212236003.db2.gz WHICYDPFFCRBHB-UHFFFAOYSA-N 1 2 334.398 3.918 50 0 EHAALO Fc1ccccc1C[N@H+]1CCc2nc(Nc3ccccc3)ncc2C1 ZINC000021639868 212236006 /nfs/dbraw/zinc/23/60/06/212236006.db2.gz WHICYDPFFCRBHB-UHFFFAOYSA-N 1 2 334.398 3.918 50 0 EHAALO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2cc(C(N)=O)oc2C(C)(C)C)no1 ZINC000244673827 243054155 /nfs/dbraw/zinc/05/41/55/243054155.db2.gz HWILGHMQIZYPDN-HNNXBMFYSA-N 1 2 345.443 3.700 50 0 EHAALO Cc1cc([C@@H]2CCCC[N@H+]2Cc2cc(C(N)=O)oc2C(C)(C)C)no1 ZINC000244673827 243054160 /nfs/dbraw/zinc/05/41/60/243054160.db2.gz HWILGHMQIZYPDN-HNNXBMFYSA-N 1 2 345.443 3.700 50 0 EHAALO CCn1cc[nH+]c1Cn1ccc(-c2cccc(-c3nccnc3C)c2)n1 ZINC000020513157 212142515 /nfs/dbraw/zinc/14/25/15/212142515.db2.gz LAHNWTODTBZORG-UHFFFAOYSA-N 1 2 344.422 3.580 50 0 EHAALO Cc1cc(C)c(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Br)c1 ZINC000020168062 212108365 /nfs/dbraw/zinc/10/83/65/212108365.db2.gz OKXJVJAKOAJGBF-ZIAGYGMSSA-N 1 2 342.277 3.554 50 0 EHAALO Cc1ccc(Cl)cc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019800469 212069816 /nfs/dbraw/zinc/06/98/16/212069816.db2.gz XOSBSLIZTSRFJU-UHFFFAOYSA-N 1 2 344.842 3.733 50 0 EHAALO Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000019787679 212066263 /nfs/dbraw/zinc/06/62/63/212066263.db2.gz FUYPAKITEPMNNH-UHFFFAOYSA-N 1 2 328.843 3.606 50 0 EHAALO CSc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000019758287 212062567 /nfs/dbraw/zinc/06/25/67/212062567.db2.gz IKCUGBWEQJRURS-RVDMUPIBSA-N 1 2 348.493 3.888 50 0 EHAALO FC(F)(F)c1cccc(C[C@@H]2C[N@H+](Cc3cccnc3)CCO2)c1 ZINC000019642768 212053128 /nfs/dbraw/zinc/05/31/28/212053128.db2.gz CFSXIKGJOWNJPY-QGZVFWFLSA-N 1 2 336.357 3.544 50 0 EHAALO FC(F)(F)c1cccc(C[C@@H]2C[N@@H+](Cc3cccnc3)CCO2)c1 ZINC000019642768 212053130 /nfs/dbraw/zinc/05/31/30/212053130.db2.gz CFSXIKGJOWNJPY-QGZVFWFLSA-N 1 2 336.357 3.544 50 0 EHAALO O=C(c1cccc(Cl)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019597580 212049939 /nfs/dbraw/zinc/04/99/39/212049939.db2.gz GUMVUXYDSKHJOY-VMPITWQZSA-N 1 2 340.854 3.811 50 0 EHAALO CC(C)c1noc(-c2ccnc(NCCc3cn4ccccc4[nH+]3)c2)n1 ZINC000078903740 217145395 /nfs/dbraw/zinc/14/53/95/217145395.db2.gz QPKGUDOZBUOROV-UHFFFAOYSA-N 1 2 348.410 3.557 50 0 EHAALO Cc1ccc(F)cc1C(=O)N1CCC(c2[nH+]ccn2C(C)C)CC1 ZINC000091651085 218039745 /nfs/dbraw/zinc/03/97/45/218039745.db2.gz DMMROBUNMRATON-UHFFFAOYSA-N 1 2 329.419 3.931 50 0 EHAALO O=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccc2[nH+]ccn2c1 ZINC000091858536 218078115 /nfs/dbraw/zinc/07/81/15/218078115.db2.gz OSWGTYMMCJMPBS-UHFFFAOYSA-N 1 2 337.398 3.715 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000009685400 211113904 /nfs/dbraw/zinc/11/39/04/211113904.db2.gz CSWPGEBMEOFGPV-SFHVURJKSA-N 1 2 331.375 3.686 50 0 EHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(C(C)C)on2)C1 ZINC000095381250 218313946 /nfs/dbraw/zinc/31/39/46/218313946.db2.gz UQTHNLUCLLFVSN-HNNXBMFYSA-N 1 2 344.459 3.814 50 0 EHAALO CCN1CCc2ccc(NC(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)cc21 ZINC000095410254 218347507 /nfs/dbraw/zinc/34/75/07/218347507.db2.gz CAAJOBZWWBOFSE-MRXNPFEDSA-N 1 2 339.443 3.551 50 0 EHAALO C[C@H](c1nc2ccccc2o1)[N@@H+](Cc1cccnc1)C[C@@H]1CCCO1 ZINC000097232400 219001014 /nfs/dbraw/zinc/00/10/14/219001014.db2.gz QJOSPSPCOTWACS-WBVHZDCISA-N 1 2 337.423 3.965 50 0 EHAALO C[C@H](c1nc2ccccc2o1)[N@H+](Cc1cccnc1)C[C@@H]1CCCO1 ZINC000097232400 219001017 /nfs/dbraw/zinc/00/10/17/219001017.db2.gz QJOSPSPCOTWACS-WBVHZDCISA-N 1 2 337.423 3.965 50 0 EHAALO Cc1nnc(C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)n1C1CC1 ZINC000097374445 219017613 /nfs/dbraw/zinc/01/76/13/219017613.db2.gz WIAFCWHBQDSHJK-GFCCVEGCSA-N 1 2 339.468 3.896 50 0 EHAALO COc1cccc(Cl)c1C[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000328589573 258044843 /nfs/dbraw/zinc/04/48/43/258044843.db2.gz VIPZARYZERNSLO-KSFYIVLOSA-N 1 2 337.872 3.558 50 0 EHAALO COc1cccc([C@H]2CCN2C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000299786095 258093210 /nfs/dbraw/zinc/09/32/10/258093210.db2.gz PDJRSTXRPDEUJT-QGZVFWFLSA-N 1 2 325.412 3.994 50 0 EHAALO Fc1ccc(N2CC[NH+](Cc3cccc(Br)c3)CC2)cc1 ZINC000055543740 132195887 /nfs/dbraw/zinc/19/58/87/132195887.db2.gz YYKZWDOVFIIHSY-UHFFFAOYSA-N 1 2 349.247 3.910 50 0 EHAALO C[C@@H](Sc1[nH+]cc2ccccn21)c1ccc(S(C)(=O)=O)cc1 ZINC000189805173 534021674 /nfs/dbraw/zinc/02/16/74/534021674.db2.gz WJSFBFNBUGHALN-GFCCVEGCSA-N 1 2 332.450 3.591 50 0 EHAALO CCOc1cc(C)ccc1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000129053097 528241410 /nfs/dbraw/zinc/24/14/10/528241410.db2.gz VBVNJJWXLUAIFQ-INIZCTEOSA-N 1 2 342.443 3.554 50 0 EHAALO c1cn(CCCNc2ncnc3sc4c(c32)CCCCC4)c[nH+]1 ZINC000002994853 563468913 /nfs/dbraw/zinc/46/89/13/563468913.db2.gz DTVVYXHKICYNDP-UHFFFAOYSA-N 1 2 327.457 3.659 50 0 EHAALO Cc1ccc(-c2cnn3c2nc(C)cc3NCCCn2cc[nH+]c2)cc1 ZINC000005207269 563522914 /nfs/dbraw/zinc/52/29/14/563522914.db2.gz ZWBWGAABWANNFX-UHFFFAOYSA-N 1 2 346.438 3.712 50 0 EHAALO CC[C@@H](C)c1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000006742351 563584592 /nfs/dbraw/zinc/58/45/92/563584592.db2.gz KJSPPXHQSTZLJY-MRXNPFEDSA-N 1 2 338.455 3.949 50 0 EHAALO Cc1cnc([C@H]([NH2+]Cc2nnc(-c3cccs3)o2)C2CC2)s1 ZINC000097374409 563599716 /nfs/dbraw/zinc/59/97/16/563599716.db2.gz JEIQFOJGUDCCAR-CYBMUJFWSA-N 1 2 332.454 3.804 50 0 EHAALO O=C(CCc1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000016602732 563815787 /nfs/dbraw/zinc/81/57/87/563815787.db2.gz JAKSTRQXAVUUBC-UHFFFAOYSA-N 1 2 342.870 3.617 50 0 EHAALO O=C(Nc1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000017072316 563835628 /nfs/dbraw/zinc/83/56/28/563835628.db2.gz MREPZPPLWXQTPK-UHFFFAOYSA-N 1 2 347.821 3.829 50 0 EHAALO Nc1ccc(-c2nc3cc(-c4[nH]c5ccc(N)cc5[nH+]4)ccc3[nH]2)cc1 ZINC000018206988 563851025 /nfs/dbraw/zinc/85/10/25/563851025.db2.gz PAGZCEHLFCJSPV-UHFFFAOYSA-N 1 2 340.390 3.938 50 0 aggregator,in-vitro EHAALO Nc1ccc(-c2nc3ccc(-c4[nH]c5ccc(N)cc5[nH+]4)cc3[nH]2)cc1 ZINC000018206988 563851027 /nfs/dbraw/zinc/85/10/27/563851027.db2.gz PAGZCEHLFCJSPV-UHFFFAOYSA-N 1 2 340.390 3.938 50 0 aggregator,in-vitro EHAALO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000071953639 563854668 /nfs/dbraw/zinc/85/46/68/563854668.db2.gz WBBWITQGPMRCEW-HNNXBMFYSA-N 1 2 346.421 3.925 50 0 EHAALO Cc1ccccc1CN(C)C(=O)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000071953639 563854671 /nfs/dbraw/zinc/85/46/71/563854671.db2.gz WBBWITQGPMRCEW-HNNXBMFYSA-N 1 2 346.421 3.925 50 0 EHAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1Cl ZINC000024754246 563875143 /nfs/dbraw/zinc/87/51/43/563875143.db2.gz PMGOPRCZGMDKAH-UHFFFAOYSA-N 1 2 325.799 3.515 50 0 EHAALO O=C(CCOc1cccc2ccccc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000072254977 563889668 /nfs/dbraw/zinc/88/96/68/563889668.db2.gz HNQNAFSYJZDZJM-SFHVURJKSA-N 1 2 349.434 3.669 50 0 EHAALO CCOc1ccc(-c2nc(C[N@H+](C)Cc3cnn(C)c3)cs2)cc1 ZINC000026296958 563890761 /nfs/dbraw/zinc/89/07/61/563890761.db2.gz FZOZGPAKJCXRGN-UHFFFAOYSA-N 1 2 342.468 3.574 50 0 EHAALO CCOc1ccc(-c2nc(C[N@@H+](C)Cc3cnn(C)c3)cs2)cc1 ZINC000026296958 563890765 /nfs/dbraw/zinc/89/07/65/563890765.db2.gz FZOZGPAKJCXRGN-UHFFFAOYSA-N 1 2 342.468 3.574 50 0 EHAALO Cc1ccccc1NC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000058329851 563942687 /nfs/dbraw/zinc/94/26/87/563942687.db2.gz SRSMZKFHBYNFKV-AWEZNQCLSA-N 1 2 326.444 3.893 50 0 EHAALO O=C(Nc1ccccc1)Nc1cccc2c1CC[N@H+](Cc1ccon1)C2 ZINC000096419576 563951396 /nfs/dbraw/zinc/95/13/96/563951396.db2.gz JQKKWGRAQAPOOV-UHFFFAOYSA-N 1 2 348.406 3.877 50 0 EHAALO O=C(Nc1ccccc1)Nc1cccc2c1CC[N@@H+](Cc1ccon1)C2 ZINC000096419576 563951397 /nfs/dbraw/zinc/95/13/97/563951397.db2.gz JQKKWGRAQAPOOV-UHFFFAOYSA-N 1 2 348.406 3.877 50 0 EHAALO Cc1cnc([C@H]([NH2+][C@H](C)c2cn(-c3ccccc3)nn2)C2CC2)s1 ZINC000096478548 563955119 /nfs/dbraw/zinc/95/51/19/563955119.db2.gz MZCWPXBYIPTUGT-CXAGYDPISA-N 1 2 339.468 3.834 50 0 EHAALO Cc1ccc2nc(C)c(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)C)cc2c1 ZINC000063882225 563956329 /nfs/dbraw/zinc/95/63/29/563956329.db2.gz AQWJIUXEYGIAIV-IBGZPJMESA-N 1 2 336.439 3.503 50 0 EHAALO Cc1[nH]cc(-c2c(-c3ccccc3)ncn2[C@H](C)Cc2cnccn2)[nH+]1 ZINC000065384984 563959136 /nfs/dbraw/zinc/95/91/36/563959136.db2.gz WWVUESZUKRLZJD-CQSZACIVSA-N 1 2 344.422 3.842 50 0 EHAALO Cc1cc(NC2CCN(C(=O)C(C)C)CC2)nc(-c2ccccc2)[nH+]1 ZINC000065408751 563960341 /nfs/dbraw/zinc/96/03/41/563960341.db2.gz QHQLCRVOLHRQFB-UHFFFAOYSA-N 1 2 338.455 3.511 50 0 EHAALO CO[C@@H](Cn1cc[nH+]c1-c1ccc2c(c1)OCCO2)c1cccs1 ZINC000071682193 563964737 /nfs/dbraw/zinc/96/47/37/563964737.db2.gz GZHZDVTXFRNIJU-INIZCTEOSA-N 1 2 342.420 3.771 50 0 EHAALO C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)N1CCC(C)CC1 ZINC000097112290 563968001 /nfs/dbraw/zinc/96/80/01/563968001.db2.gz QJXGVMGULVHUCI-JKSUJKDBSA-N 1 2 341.455 3.639 50 0 EHAALO Cc1nc(N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)cc(C(C)C)[nH+]1 ZINC000077538587 563970285 /nfs/dbraw/zinc/97/02/85/563970285.db2.gz JOORQXBCWWOUCB-HXUWFJFHSA-N 1 2 344.503 3.526 50 0 EHAALO Cc1[nH+]c2n(c1C)CCN(Cc1cc(-c3ccc(Cl)cc3)no1)C2 ZINC000097201093 563970415 /nfs/dbraw/zinc/97/04/15/563970415.db2.gz YZCQVLWFNCNNEI-UHFFFAOYSA-N 1 2 342.830 3.824 50 0 EHAALO COc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000082092051 563972104 /nfs/dbraw/zinc/97/21/04/563972104.db2.gz LPCYPDDHWYDDAE-OAHLLOKOSA-N 1 2 347.846 3.630 50 0 EHAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000082096790 563972146 /nfs/dbraw/zinc/97/21/46/563972146.db2.gz AUZFGCZMJYTNOP-GFCCVEGCSA-N 1 2 338.238 3.747 50 0 EHAALO Cc1cn2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000082107250 563972289 /nfs/dbraw/zinc/97/22/89/563972289.db2.gz SBCNAISRBWBZDL-UHFFFAOYSA-N 1 2 333.313 3.592 50 0 EHAALO CCN(CC)c1cc(CNC(=O)Nc2ccc(C)cc2C)cc[nH+]1 ZINC000033280261 563972960 /nfs/dbraw/zinc/97/29/60/563972960.db2.gz USFDLYPKYHDHFR-UHFFFAOYSA-N 1 2 326.444 3.866 50 0 EHAALO Cc1cc(C)c(NC(=O)N(C)CC[C@@H](O)c2ccccc2)c(C)[nH+]1 ZINC000095519129 563977371 /nfs/dbraw/zinc/97/73/71/563977371.db2.gz WXSMZTFSTRQRGZ-QGZVFWFLSA-N 1 2 327.428 3.594 50 0 EHAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc2ccccc2c1 ZINC000000243053 563989192 /nfs/dbraw/zinc/98/91/92/563989192.db2.gz QJJJUAHBIDTTRD-SFHVURJKSA-N 1 2 332.403 3.938 50 0 EHAALO CC[NH+](CC)Cn1nc(-c2ccccc2Br)oc1=S ZINC000000342896 563991402 /nfs/dbraw/zinc/99/14/02/563991402.db2.gz SBICBJYLUVIXBV-UHFFFAOYSA-N 1 2 342.262 3.934 50 0 EHAALO Clc1ccc(CSC2=[NH+]CN(Cc3ccccc3)CN2)cc1 ZINC000000144800 564012103 /nfs/dbraw/zinc/01/21/03/564012103.db2.gz KLTHFVLDOAQTJF-UHFFFAOYSA-N 1 2 331.872 3.950 50 0 EHAALO C[C@@H](NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1)c1cccs1 ZINC000044950447 564027861 /nfs/dbraw/zinc/02/78/61/564027861.db2.gz DOUXDXVWKGJTDL-CQSZACIVSA-N 1 2 344.484 3.694 50 0 EHAALO C[C@H](c1cccs1)N(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045844857 564028751 /nfs/dbraw/zinc/02/87/51/564028751.db2.gz SJTFTRSJHXVWSA-CQSZACIVSA-N 1 2 344.484 3.646 50 0 EHAALO CC(=O)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000048234623 564030085 /nfs/dbraw/zinc/03/00/85/564030085.db2.gz GUFIDGHITBZHSS-CQSZACIVSA-N 1 2 346.452 3.501 50 0 EHAALO CC(C)Cn1c[nH+]cc1CNC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000222797842 564037851 /nfs/dbraw/zinc/03/78/51/564037851.db2.gz ARBRPWVQOHAYOK-UHFFFAOYSA-N 1 2 345.874 3.931 50 0 EHAALO COc1ccccc1-c1ccc(C(=O)NC[C@H](C)n2cc[nH+]c2)cc1 ZINC000223784456 564040853 /nfs/dbraw/zinc/04/08/53/564040853.db2.gz CCGVOPHLHVNNRT-HNNXBMFYSA-N 1 2 335.407 3.550 50 0 EHAALO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1Cl ZINC000244724307 564052250 /nfs/dbraw/zinc/05/22/50/564052250.db2.gz MRPYDOABSVTCHP-INIZCTEOSA-N 1 2 348.805 3.873 50 0 EHAALO COc1ccc(NC(=O)C[N@H+]2CC[C@H]2c2ccc(F)cc2)cc1Cl ZINC000244724307 564052251 /nfs/dbraw/zinc/05/22/51/564052251.db2.gz MRPYDOABSVTCHP-INIZCTEOSA-N 1 2 348.805 3.873 50 0 EHAALO CCCCNc1[nH+]c2ccccc2n1CC(=O)N1CCCCCC1 ZINC000012540762 564058694 /nfs/dbraw/zinc/05/86/94/564058694.db2.gz OJZFWZZNMZDCJB-UHFFFAOYSA-N 1 2 328.460 3.651 50 0 EHAALO Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1C ZINC000012916469 564078073 /nfs/dbraw/zinc/07/80/73/564078073.db2.gz BDCQNRGQVVMMHL-UHFFFAOYSA-N 1 2 329.469 3.998 50 0 EHAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(F)cccc2F)cc1 ZINC000012922987 564078409 /nfs/dbraw/zinc/07/84/09/564078409.db2.gz PXOKBHDAUQPGEI-KRWDZBQOSA-N 1 2 346.377 3.749 50 0 EHAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2c(F)cccc2F)cc1 ZINC000012922987 564078410 /nfs/dbraw/zinc/07/84/10/564078410.db2.gz PXOKBHDAUQPGEI-KRWDZBQOSA-N 1 2 346.377 3.749 50 0 EHAALO C[C@H]1c2ccsc2CC[N@H+]1Cn1c(=O)oc2cc(Cl)ccc21 ZINC000012926389 564078528 /nfs/dbraw/zinc/07/85/28/564078528.db2.gz USZIMZTVHVUBEE-JTQLQIEISA-N 1 2 334.828 3.886 50 0 EHAALO C[C@H]1c2ccsc2CC[N@@H+]1Cn1c(=O)oc2cc(Cl)ccc21 ZINC000012926389 564078529 /nfs/dbraw/zinc/07/85/29/564078529.db2.gz USZIMZTVHVUBEE-JTQLQIEISA-N 1 2 334.828 3.886 50 0 EHAALO O=C(N[C@H](c1ccccc1)c1cccc(F)c1)[C@@H]1CCCn2cc[nH+]c21 ZINC000088263208 564078748 /nfs/dbraw/zinc/07/87/48/564078748.db2.gz VHECNZWFPINOFR-RTBURBONSA-N 1 2 349.409 3.805 50 0 EHAALO C[N@@H+](Cc1ccc(Cl)cc1)CN1C(=O)OC[C@H]1c1ccccc1 ZINC000075148691 564080833 /nfs/dbraw/zinc/08/08/33/564080833.db2.gz GUGXBYPXNJANRZ-KRWDZBQOSA-N 1 2 330.815 3.923 50 0 EHAALO C[N@H+](Cc1ccc(Cl)cc1)CN1C(=O)OC[C@H]1c1ccccc1 ZINC000075148691 564080834 /nfs/dbraw/zinc/08/08/34/564080834.db2.gz GUGXBYPXNJANRZ-KRWDZBQOSA-N 1 2 330.815 3.923 50 0 EHAALO CCc1ccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000075495739 564087040 /nfs/dbraw/zinc/08/70/40/564087040.db2.gz UHEMVUXLFOPZAN-UHFFFAOYSA-N 1 2 337.467 3.954 50 0 EHAALO CC(C)c1noc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192077256 564090003 /nfs/dbraw/zinc/09/00/03/564090003.db2.gz HPGPYDITURIIHT-ZFWWWQNUSA-N 1 2 339.798 3.605 50 0 EHAALO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(F)c1 ZINC000006638991 564094859 /nfs/dbraw/zinc/09/48/59/564094859.db2.gz IKDZGGOENAYFDE-UHFFFAOYSA-N 1 2 340.320 3.915 50 0 EHAALO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(F)c1 ZINC000006638991 564094860 /nfs/dbraw/zinc/09/48/60/564094860.db2.gz IKDZGGOENAYFDE-UHFFFAOYSA-N 1 2 340.320 3.915 50 0 EHAALO C[N@@H+](CCC(F)(F)F)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000065235499 564103256 /nfs/dbraw/zinc/10/32/56/564103256.db2.gz GHEZFQKAJUBCNN-UHFFFAOYSA-N 1 2 341.352 3.884 50 0 EHAALO C[N@H+](CCC(F)(F)F)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000065235499 564103255 /nfs/dbraw/zinc/10/32/55/564103255.db2.gz GHEZFQKAJUBCNN-UHFFFAOYSA-N 1 2 341.352 3.884 50 0 EHAALO CCc1nc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cs1 ZINC000065492085 564106476 /nfs/dbraw/zinc/10/64/76/564106476.db2.gz AFLVDVSESFUXCY-CYBMUJFWSA-N 1 2 329.469 3.683 50 0 EHAALO O=C(Nc1ccc(Br)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000065562877 564106997 /nfs/dbraw/zinc/10/69/97/564106997.db2.gz APCQKCFWAJUNHL-UHFFFAOYSA-N 1 2 349.232 3.515 50 0 EHAALO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)on1 ZINC000007363073 564107515 /nfs/dbraw/zinc/10/75/15/564107515.db2.gz LEDLLBLDXQGLIY-LBPRGKRZSA-N 1 2 333.457 3.809 50 0 EHAALO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)on1 ZINC000007363073 564107516 /nfs/dbraw/zinc/10/75/16/564107516.db2.gz LEDLLBLDXQGLIY-LBPRGKRZSA-N 1 2 333.457 3.809 50 0 EHAALO Cn1cc[nH+]c1C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC000252486589 564119366 /nfs/dbraw/zinc/11/93/66/564119366.db2.gz LZNRSCADABDLMZ-UFYCRDLUSA-N 1 2 345.446 3.624 50 0 EHAALO C[C@H](Nc1cccc(C[N@H+](C)Cc2cscn2)c1)[C@@H]1CCOC1 ZINC000195099762 564122798 /nfs/dbraw/zinc/12/27/98/564122798.db2.gz SNMXFPKBTHFJIE-GOEBONIOSA-N 1 2 331.485 3.612 50 0 EHAALO C[C@H](Nc1cccc(C[N@@H+](C)Cc2cscn2)c1)[C@@H]1CCOC1 ZINC000195099762 564122799 /nfs/dbraw/zinc/12/27/99/564122799.db2.gz SNMXFPKBTHFJIE-GOEBONIOSA-N 1 2 331.485 3.612 50 0 EHAALO Cc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)nn1[C@H](C)C1CC1 ZINC000390833740 564138873 /nfs/dbraw/zinc/13/88/73/564138873.db2.gz MCRMIJNCJWMYRT-CQSZACIVSA-N 1 2 335.411 3.601 50 0 EHAALO CC(C)(C)CC(=O)N1CCC(Nc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000095430847 564140371 /nfs/dbraw/zinc/14/03/71/564140371.db2.gz GIAHXPXCZSZREL-UHFFFAOYSA-N 1 2 344.503 3.521 50 0 EHAALO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc(N)cc2)CC1 ZINC000096004863 564144499 /nfs/dbraw/zinc/14/44/99/564144499.db2.gz GPMVVEOGHOREFR-UHFFFAOYSA-N 1 2 348.450 3.658 50 0 EHAALO CN(C)c1c[nH+]ccc1NC(=O)c1csc(-c2cccs2)n1 ZINC000096013638 564144833 /nfs/dbraw/zinc/14/48/33/564144833.db2.gz XCGAOVKSMNKWMQ-UHFFFAOYSA-N 1 2 330.438 3.585 50 0 EHAALO CC[C@@H](C)[C@@H](C(=O)NCCc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000096408415 564147502 /nfs/dbraw/zinc/14/75/02/564147502.db2.gz QJGFMYVONKZVLJ-CZUORRHYSA-N 1 2 335.398 3.767 50 0 EHAALO COc1ccc(C)cc1NC(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000002650347 564151884 /nfs/dbraw/zinc/15/18/84/564151884.db2.gz DYFLVUPITVXQTL-UHFFFAOYSA-N 1 2 332.831 3.728 50 0 EHAALO COc1ccc(C)cc1NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000002650347 564151885 /nfs/dbraw/zinc/15/18/85/564151885.db2.gz DYFLVUPITVXQTL-UHFFFAOYSA-N 1 2 332.831 3.728 50 0 EHAALO CN(C(=O)Nc1cccc(Cl)c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000057879566 564156325 /nfs/dbraw/zinc/15/63/25/564156325.db2.gz DOTFTGSHHDMZRH-UHFFFAOYSA-N 1 2 344.846 3.868 50 0 EHAALO C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1cccc2ccccc21 ZINC000032084107 564160638 /nfs/dbraw/zinc/16/06/38/564160638.db2.gz IIOCAVFMDYCSDL-HNNXBMFYSA-N 1 2 329.403 3.907 50 0 EHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1F ZINC000008156351 564163192 /nfs/dbraw/zinc/16/31/92/564163192.db2.gz LLLIAQABKYCUPV-UHFFFAOYSA-N 1 2 344.430 3.830 50 0 EHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1F ZINC000008156351 564163193 /nfs/dbraw/zinc/16/31/93/564163193.db2.gz LLLIAQABKYCUPV-UHFFFAOYSA-N 1 2 344.430 3.830 50 0 EHAALO CCc1cc(C(=O)NCCn2c(C)[nH+]c3ccccc32)sc1C ZINC000008173617 564163298 /nfs/dbraw/zinc/16/32/98/564163298.db2.gz MEIRGONNZZZWIK-UHFFFAOYSA-N 1 2 327.453 3.707 50 0 EHAALO O=C(NCCSC1CCCC1)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000069416255 564169233 /nfs/dbraw/zinc/16/92/33/564169233.db2.gz NVLDPFZQSMPBHZ-UHFFFAOYSA-N 1 2 344.484 3.729 50 0 EHAALO O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000069629964 564171097 /nfs/dbraw/zinc/17/10/97/564171097.db2.gz WZJDFXPGUOOKPA-OAHLLOKOSA-N 1 2 338.238 3.944 50 0 EHAALO Cn1cc([C@@H]2CCC[N@@H+]2Cc2csc(-c3cccs3)n2)cn1 ZINC000069740397 564171864 /nfs/dbraw/zinc/17/18/64/564171864.db2.gz IBRSNOBWTPFLHD-AWEZNQCLSA-N 1 2 330.482 3.942 50 0 EHAALO Cn1cc([C@@H]2CCC[N@H+]2Cc2csc(-c3cccs3)n2)cn1 ZINC000069740397 564171865 /nfs/dbraw/zinc/17/18/65/564171865.db2.gz IBRSNOBWTPFLHD-AWEZNQCLSA-N 1 2 330.482 3.942 50 0 EHAALO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cc(F)ccc3F)n2)c1 ZINC000174656695 564174735 /nfs/dbraw/zinc/17/47/35/564174735.db2.gz ATZZHDHSRMAPFV-NSHDSACASA-N 1 2 345.349 3.874 50 0 EHAALO Cc1cccc(/C=C/C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000032860026 1122171961 /nfs/dbraw/zinc/17/19/61/1122171961.db2.gz QKNCSFUHBDUQIG-MDZDMXLPSA-N 1 2 331.419 3.569 50 0 EHAALO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccs1 ZINC000007846735 1123863711 /nfs/dbraw/zinc/86/37/11/1123863711.db2.gz TVCZLYHTEKCLSO-UHFFFAOYSA-N 1 2 328.359 3.837 50 0 EHAALO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccs1 ZINC000007846735 1123863716 /nfs/dbraw/zinc/86/37/16/1123863716.db2.gz TVCZLYHTEKCLSO-UHFFFAOYSA-N 1 2 328.359 3.837 50 0 EHAALO Cc1cc2cc(NC(=O)C3([NH+]4CCOCC4)CCCCC3)ccc2o1 ZINC000825302600 1131266837 /nfs/dbraw/zinc/26/68/37/1131266837.db2.gz BFWSVIWKEOKFCH-UHFFFAOYSA-N 1 2 342.439 3.715 50 0 EHAALO O=C(NCc1cccs1)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000827647332 1131391010 /nfs/dbraw/zinc/39/10/10/1131391010.db2.gz BHUNXYJEYGSJSR-QGZVFWFLSA-N 1 2 332.444 3.731 50 0 EHAALO CC1(C)C[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)c2ccccc21 ZINC000178709350 1130720621 /nfs/dbraw/zinc/72/06/21/1130720621.db2.gz OFHHIDJVCLTAEB-KRWDZBQOSA-N 1 2 334.423 3.556 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1CCNC(=O)[C@@H](C)c1ccccc1 ZINC000581813061 1132366311 /nfs/dbraw/zinc/36/63/11/1132366311.db2.gz QKWRJJIOILFDQP-KRWDZBQOSA-N 1 2 333.435 3.778 50 0 EHAALO CCCNC(=O)N1CCC[C@@H](n2c(C)c[nH+]c2-c2ccccc2)C1 ZINC000581806228 1132368482 /nfs/dbraw/zinc/36/84/82/1132368482.db2.gz NARXRQGQMXISKO-QGZVFWFLSA-N 1 2 326.444 3.615 50 0 EHAALO Cc1c[nH+]c([C@H]2CCN(C(=O)CCc3ccccc3)C2)n1C(C)C ZINC000581816373 1132372690 /nfs/dbraw/zinc/37/26/90/1132372690.db2.gz VYMVGCNCILDTDM-SFHVURJKSA-N 1 2 325.456 3.721 50 0 EHAALO Cn1cc(C2CC[NH+](Cc3nccc(Cl)c3Cl)CC2)cn1 ZINC000952883101 1137483521 /nfs/dbraw/zinc/48/35/21/1137483521.db2.gz WRXBAKYXSYBRPZ-UHFFFAOYSA-N 1 2 325.243 3.502 50 0 EHAALO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(O)c(F)c2F)cc1OC ZINC000952993057 1137485037 /nfs/dbraw/zinc/48/50/37/1137485037.db2.gz MJAFPMKLJHTCRN-VIFPVBQESA-N 1 2 341.329 3.678 50 0 EHAALO C[N@H+](Cc1csc(-c2ncccn2)n1)Cc1ccc(F)c(F)c1 ZINC000051710101 214102310 /nfs/dbraw/zinc/10/23/10/214102310.db2.gz SFFHMVZIIMTLLX-UHFFFAOYSA-N 1 2 332.379 3.510 50 0 EHAALO C[N@@H+](Cc1csc(-c2ncccn2)n1)Cc1ccc(F)c(F)c1 ZINC000051710101 214102313 /nfs/dbraw/zinc/10/23/13/214102313.db2.gz SFFHMVZIIMTLLX-UHFFFAOYSA-N 1 2 332.379 3.510 50 0 EHAALO O=C(C1CCCC1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000052750641 214142872 /nfs/dbraw/zinc/14/28/72/214142872.db2.gz JTBCQLFMITZWAN-UHFFFAOYSA-N 1 2 340.389 3.540 50 0 EHAALO Cc1noc(C)c1C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000054667150 214250481 /nfs/dbraw/zinc/25/04/81/214250481.db2.gz PFJMKUCFTKPSMI-UHFFFAOYSA-N 1 2 336.395 3.744 50 0 EHAALO O=C(NCc1[nH]cc[nH+]1)c1ccccc1Cc1ccc(Cl)cc1 ZINC000055042036 214266239 /nfs/dbraw/zinc/26/62/39/214266239.db2.gz OJMATSCKGAIENV-UHFFFAOYSA-N 1 2 325.799 3.584 50 0 EHAALO Cc1ccc2[nH+]c(COc3ccccc3C(=O)N3CCCCC3)cn2c1 ZINC000049889725 214035006 /nfs/dbraw/zinc/03/50/06/214035006.db2.gz JTBCAYMAYSZTPG-UHFFFAOYSA-N 1 2 349.434 3.848 50 0 EHAALO CN(C)c1[nH+]cccc1NC(=O)c1cc(-c2ccccc2Cl)on1 ZINC000049728014 214030249 /nfs/dbraw/zinc/03/02/49/214030249.db2.gz PCKSIULWFZZOJR-UHFFFAOYSA-N 1 2 342.786 3.708 50 0 EHAALO O=C(/C=C\c1ccnc(Cl)c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000098053018 219074231 /nfs/dbraw/zinc/07/42/31/219074231.db2.gz WJHAOAHLCFDQLN-RJRFIUFISA-N 1 2 342.761 3.712 50 0 EHAALO CC[C@@H](Nc1ccc(Cl)cc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067743469 215201942 /nfs/dbraw/zinc/20/19/42/215201942.db2.gz JUPASVJHWUEJST-CQSZACIVSA-N 1 2 332.835 3.702 50 0 EHAALO CCc1cnc(NCc2ccc[nH+]c2N(C)Cc2ccccc2)nc1 ZINC000067757369 215204269 /nfs/dbraw/zinc/20/42/69/215204269.db2.gz PDGJSKVTEMDGBL-UHFFFAOYSA-N 1 2 333.439 3.683 50 0 EHAALO CCc1noc(C[NH2+]C2(c3cccc(Br)c3)CCC2)n1 ZINC000069010064 215352534 /nfs/dbraw/zinc/35/25/34/215352534.db2.gz PHKZCQLBNLOCSW-UHFFFAOYSA-N 1 2 336.233 3.564 50 0 EHAALO COc1cc(-c2nc(C[N@H+](C)Cc3ccco3)cs2)ccc1O ZINC000069350181 215384412 /nfs/dbraw/zinc/38/44/12/215384412.db2.gz NXNILUGWDSZCKB-UHFFFAOYSA-N 1 2 330.409 3.749 50 0 EHAALO COc1cc(-c2nc(C[N@@H+](C)Cc3ccco3)cs2)ccc1O ZINC000069350181 215384414 /nfs/dbraw/zinc/38/44/14/215384414.db2.gz NXNILUGWDSZCKB-UHFFFAOYSA-N 1 2 330.409 3.749 50 0 EHAALO C[C@H](c1nc(C2CC2)no1)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000069386888 215397050 /nfs/dbraw/zinc/39/70/50/215397050.db2.gz MSNIKQNTMWUDEF-UONOGXRCSA-N 1 2 344.434 3.526 50 0 EHAALO O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)c1cccnc1 ZINC000038671667 213220696 /nfs/dbraw/zinc/22/06/96/213220696.db2.gz WMECADPKVXHSMP-UHFFFAOYSA-N 1 2 334.423 3.662 50 0 EHAALO CC[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000035325928 213022186 /nfs/dbraw/zinc/02/21/86/213022186.db2.gz DJGOJVTYDJZUJA-YVEFUNNKSA-N 1 2 334.510 3.672 50 0 EHAALO CC[C@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000035325928 213022188 /nfs/dbraw/zinc/02/21/88/213022188.db2.gz DJGOJVTYDJZUJA-YVEFUNNKSA-N 1 2 334.510 3.672 50 0 EHAALO Cc1ccc(C(=O)Nc2cccc(C[N@H+](C)Cc3cscn3)c2)o1 ZINC000071894375 215933277 /nfs/dbraw/zinc/93/32/77/215933277.db2.gz YZUDWXGFHFPZDZ-UHFFFAOYSA-N 1 2 341.436 3.929 50 0 EHAALO Cc1ccc(C(=O)Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)o1 ZINC000071894375 215933280 /nfs/dbraw/zinc/93/32/80/215933280.db2.gz YZUDWXGFHFPZDZ-UHFFFAOYSA-N 1 2 341.436 3.929 50 0 EHAALO COc1ccccc1N1CC[N@H+](Cc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000072121686 216014526 /nfs/dbraw/zinc/01/45/26/216014526.db2.gz WKSKKROZBSMPSO-INIZCTEOSA-N 1 2 338.451 3.609 50 0 EHAALO COc1ccccc1N1CC[N@@H+](Cc2cccc(C(C)=O)c2)[C@@H](C)C1 ZINC000072121686 216014529 /nfs/dbraw/zinc/01/45/29/216014529.db2.gz WKSKKROZBSMPSO-INIZCTEOSA-N 1 2 338.451 3.609 50 0 EHAALO C[C@H](c1nncn1C)n1cc[nH+]c1-c1ccccc1-c1ccccc1 ZINC000072146706 216033240 /nfs/dbraw/zinc/03/32/40/216033240.db2.gz KPGZXLLGPBRZFE-OAHLLOKOSA-N 1 2 329.407 3.955 50 0 EHAALO Cc1ccc(Cl)c(CN2CC[NH+](Cc3ncccc3C)CC2)c1F ZINC000072166668 216054964 /nfs/dbraw/zinc/05/49/64/216054964.db2.gz TVEMADLCBHSOEH-UHFFFAOYSA-N 1 2 347.865 3.809 50 0 EHAALO O=C(Nc1ccc2ccccc2c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000022185096 212280086 /nfs/dbraw/zinc/28/00/86/212280086.db2.gz TUCYTAJTNZLCEP-UHFFFAOYSA-N 1 2 346.430 3.924 50 0 EHAALO Cc1ccc(-n2cc(N[C@H](c3[nH]cc[nH+]3)c3cccnc3)cn2)c(C)c1 ZINC000195128060 240839331 /nfs/dbraw/zinc/83/93/31/240839331.db2.gz DXJMMRMQFHQHMM-IBGZPJMESA-N 1 2 344.422 3.809 50 0 EHAALO Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000021870231 212256853 /nfs/dbraw/zinc/25/68/53/212256853.db2.gz PNCNUIVJDNUGIN-RMKNXTFCSA-N 1 2 334.463 3.775 50 0 EHAALO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000244712761 243062910 /nfs/dbraw/zinc/06/29/10/243062910.db2.gz KWPFYMPAPPRTSG-ZDUSSCGKSA-N 1 2 347.484 3.860 50 0 EHAALO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000244712761 243062915 /nfs/dbraw/zinc/06/29/15/243062915.db2.gz KWPFYMPAPPRTSG-ZDUSSCGKSA-N 1 2 347.484 3.860 50 0 EHAALO CCCCN1c2ccccc2[N@@H+](CC(=O)c2ccc(OC)cc2)C1=N ZINC000020840599 212175102 /nfs/dbraw/zinc/17/51/02/212175102.db2.gz CVMVJWKVDKEFOF-UHFFFAOYSA-N 1 2 337.423 3.614 50 0 EHAALO CCCCN1c2ccccc2[N@H+](CC(=O)c2ccc(OC)cc2)C1=N ZINC000020840599 212175103 /nfs/dbraw/zinc/17/51/03/212175103.db2.gz CVMVJWKVDKEFOF-UHFFFAOYSA-N 1 2 337.423 3.614 50 0 EHAALO CCc1cc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cs1 ZINC000020191852 212109314 /nfs/dbraw/zinc/10/93/14/212109314.db2.gz GWMVFFRCQPOALE-UHFFFAOYSA-N 1 2 348.899 3.922 50 0 EHAALO CCOc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000019809350 212070842 /nfs/dbraw/zinc/07/08/42/212070842.db2.gz XZDGGTZAEXTJDD-UHFFFAOYSA-N 1 2 328.431 3.542 50 0 EHAALO CSc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000019782036 212067089 /nfs/dbraw/zinc/06/70/89/212067089.db2.gz RAQOHRXHTXANHI-UHFFFAOYSA-N 1 2 330.472 3.865 50 0 EHAALO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1nc(-c2ccc(F)cc2)no1 ZINC000078553446 217075085 /nfs/dbraw/zinc/07/50/85/217075085.db2.gz KXNREWHJOZAJNW-LBPRGKRZSA-N 1 2 343.406 3.678 50 0 EHAALO CCn1cc[nH+]c1-c1cccc(NC(=O)N[C@H](C)c2ccncc2)c1 ZINC000089310044 217785372 /nfs/dbraw/zinc/78/53/72/217785372.db2.gz JBMWSZLYXJYLFQ-CQSZACIVSA-N 1 2 335.411 3.848 50 0 EHAALO CCOc1ccc(C(=O)N[C@@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000012529380 211399783 /nfs/dbraw/zinc/39/97/83/211399783.db2.gz MXUSTBIMIBFAJQ-SFHVURJKSA-N 1 2 335.407 3.522 50 0 EHAALO CCCOc1ccc([NH2+]CCC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000012411345 211371722 /nfs/dbraw/zinc/37/17/22/211371722.db2.gz TXCLNDCLIMTSCP-UHFFFAOYSA-N 1 2 327.380 3.889 50 0 biogenic,in-vitro EHAALO CCn1cc[nH+]c1C1CCN(C(=O)c2ccc(Cl)c(C)c2)CC1 ZINC000091651283 218039818 /nfs/dbraw/zinc/03/98/18/218039818.db2.gz HMTPHQGHAOWFJC-UHFFFAOYSA-N 1 2 331.847 3.885 50 0 EHAALO Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000092061901 218112186 /nfs/dbraw/zinc/11/21/86/218112186.db2.gz ZTLFPDYITHVMOY-INIZCTEOSA-N 1 2 337.423 3.799 50 0 EHAALO CC[C@@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccc(C)cc1 ZINC000010093663 211147666 /nfs/dbraw/zinc/14/76/66/211147666.db2.gz FHOAJLACEGBOOI-QGZVFWFLSA-N 1 2 328.481 3.682 50 0 EHAALO CC[C@@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccc(C)cc1 ZINC000010093663 211147669 /nfs/dbraw/zinc/14/76/69/211147669.db2.gz FHOAJLACEGBOOI-QGZVFWFLSA-N 1 2 328.481 3.682 50 0 EHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000009466935 211087833 /nfs/dbraw/zinc/08/78/33/211087833.db2.gz VVLNHKRYABQIRS-UHFFFAOYSA-N 1 2 343.814 3.899 50 0 EHAALO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3ccsc3)C2)o1 ZINC000093768202 218247806 /nfs/dbraw/zinc/24/78/06/218247806.db2.gz BKUOWGFZFIAEOA-INIZCTEOSA-N 1 2 329.425 3.613 50 0 EHAALO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3ccsc3)C2)o1 ZINC000093768202 218247808 /nfs/dbraw/zinc/24/78/08/218247808.db2.gz BKUOWGFZFIAEOA-INIZCTEOSA-N 1 2 329.425 3.613 50 0 EHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000095357246 218290933 /nfs/dbraw/zinc/29/09/33/218290933.db2.gz SUUXBWGGPOEWJF-CQSZACIVSA-N 1 2 347.409 3.981 50 0 EHAALO CSc1ncccc1C(=O)N1CCC[C@H](c2[nH+]ccn2C(C)C)C1 ZINC000095375540 218307702 /nfs/dbraw/zinc/30/77/02/218307702.db2.gz DYPCDGJGFSVBSL-AWEZNQCLSA-N 1 2 344.484 3.601 50 0 EHAALO CCc1ncc(CNc2ccccc2OCCn2cc[nH+]c2)s1 ZINC000095428815 218371316 /nfs/dbraw/zinc/37/13/16/218371316.db2.gz ZEVOMHXHSUWFCY-UHFFFAOYSA-N 1 2 328.441 3.593 50 0 EHAALO CC(C)([NH2+]Cc1nnc(-c2cccs2)o1)c1ccc2c(c1)OCO2 ZINC000095431563 218373303 /nfs/dbraw/zinc/37/33/03/218373303.db2.gz ILSYLKSAXUWKNP-UHFFFAOYSA-N 1 2 343.408 3.552 50 0 EHAALO Cc1cccc2[nH+]c(C[S@@](=O)[C@H](C)c3ncc(C(C)(C)C)o3)cn21 ZINC000097370458 219015459 /nfs/dbraw/zinc/01/54/59/219015459.db2.gz OSTNKECIHBNATK-OZAJXLCCSA-N 1 2 345.468 3.938 50 0 EHAALO Cc1ccc([C@]2(C(=O)NCc3c[nH+]cn3CC(C)C)CC2(C)C)cc1 ZINC000299800487 258103794 /nfs/dbraw/zinc/10/37/94/258103794.db2.gz SRCYXZWQXQYTEO-NRFANRHFSA-N 1 2 339.483 3.832 50 0 EHAALO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2ccccc2)CC1 ZINC000052634696 132185289 /nfs/dbraw/zinc/18/52/89/132185289.db2.gz UZULXKSERJMLTA-MRXNPFEDSA-N 1 2 334.423 3.620 50 0 EHAALO Fc1ccc(N2CC[NH+](Cn3c4ccccc4oc3=S)CC2)cc1 ZINC000057375942 132199980 /nfs/dbraw/zinc/19/99/80/132199980.db2.gz UMHBWSMNXVJIFG-UHFFFAOYSA-N 1 2 343.427 3.883 50 0 EHAALO CC1CCN(c2[nH+]cnc3c2cnn3Cc2ccc(Cl)cc2)CC1 ZINC000000091892 135644473 /nfs/dbraw/zinc/64/44/73/135644473.db2.gz SBHWYXLDNBJAHX-UHFFFAOYSA-N 1 2 341.846 3.764 50 0 EHAALO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3C(C)(C)C)cc1 ZINC000000239206 563264965 /nfs/dbraw/zinc/26/49/65/563264965.db2.gz QRPOOLQLYZEDAA-UHFFFAOYSA-N 1 2 343.452 3.901 50 0 EHAALO OCCCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3[nH+]c21 ZINC000002945470 563464397 /nfs/dbraw/zinc/46/43/97/563464397.db2.gz ACTAIZGIOQXANL-UHFFFAOYSA-N 1 2 325.799 3.992 50 0 EHAALO CC[C@@H](NC(=O)Cc1ccc2[nH]c(C)[nH+]c2c1)c1nc(C)c(C)s1 ZINC000584892893 563564181 /nfs/dbraw/zinc/56/41/81/563564181.db2.gz DANRZPLPCGSBQM-CQSZACIVSA-N 1 2 342.468 3.755 50 0 EHAALO CC[C@@H](NC(=O)Cc1ccc2[nH+]c(C)[nH]c2c1)c1nc(C)c(C)s1 ZINC000584892893 563564186 /nfs/dbraw/zinc/56/41/86/563564186.db2.gz DANRZPLPCGSBQM-CQSZACIVSA-N 1 2 342.468 3.755 50 0 EHAALO CCn1cc(C(=O)Nc2cc[nH+]c(C)c2)c(=O)c2cc(Cl)ccc21 ZINC000097375206 563600857 /nfs/dbraw/zinc/60/08/57/563600857.db2.gz GGFUOCGIEKYSHP-UHFFFAOYSA-N 1 2 341.798 3.631 50 0 EHAALO Cn1ncc2c1nc[nH+]c2NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000012794796 563672283 /nfs/dbraw/zinc/67/22/83/563672283.db2.gz HYYWCEREFYXBLL-UHFFFAOYSA-N 1 2 339.786 3.889 50 0 EHAALO Cc1c(C)n(-c2cc(C)ccn2)c2nc[nH+]c(NCc3ccco3)c12 ZINC000013691186 563712286 /nfs/dbraw/zinc/71/22/86/563712286.db2.gz LXIPNAUCYIHYAA-UHFFFAOYSA-N 1 2 333.395 3.946 50 0 EHAALO C[N@@H+](Cc1ccc(Cl)nc1)CN1c2cccc3cccc(c23)C1=O ZINC000032770207 563730348 /nfs/dbraw/zinc/73/03/48/563730348.db2.gz YDMRBZIDWVPENH-UHFFFAOYSA-N 1 2 337.810 3.938 50 0 EHAALO C[N@H+](Cc1ccc(Cl)nc1)CN1c2cccc3cccc(c23)C1=O ZINC000032770207 563730351 /nfs/dbraw/zinc/73/03/51/563730351.db2.gz YDMRBZIDWVPENH-UHFFFAOYSA-N 1 2 337.810 3.938 50 0 EHAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc2ccccc2o1 ZINC000024746954 563874819 /nfs/dbraw/zinc/87/48/19/563874819.db2.gz SINFTSKXMGPENZ-UHFFFAOYSA-N 1 2 331.375 3.608 50 0 EHAALO Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000024979118 563878779 /nfs/dbraw/zinc/87/87/79/563878779.db2.gz YFXABPWJQQGPAV-CQSZACIVSA-N 1 2 329.469 3.936 50 0 EHAALO Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000024979118 563878783 /nfs/dbraw/zinc/87/87/83/563878783.db2.gz YFXABPWJQQGPAV-CQSZACIVSA-N 1 2 329.469 3.936 50 0 EHAALO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)N[C@@H](C)c1ccccc1 ZINC000026372350 563891208 /nfs/dbraw/zinc/89/12/08/563891208.db2.gz ZMNZZCZKESREKP-UONOGXRCSA-N 1 2 325.437 3.692 50 0 EHAALO Cc1cc(C)nc(N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)n1 ZINC000043533562 563903717 /nfs/dbraw/zinc/90/37/17/563903717.db2.gz AQIUFZDUUKUBDG-OAHLLOKOSA-N 1 2 327.819 3.682 50 0 EHAALO CC[C@@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000029669482 563907863 /nfs/dbraw/zinc/90/78/63/563907863.db2.gz WEKJAHOHLWSHDI-HXUWFJFHSA-N 1 2 333.435 3.741 50 0 EHAALO Cc1cc(N2CCN(C(=O)C(C)C)CC2)[nH+]c2c1cccc2C(C)C ZINC000046228821 563915981 /nfs/dbraw/zinc/91/59/81/563915981.db2.gz CQIDWXBFNJMLQM-UHFFFAOYSA-N 1 2 339.483 3.971 50 0 EHAALO CC[N@H+](Cc1noc(CC(C)C)n1)Cc1c(C)cc(C)c(CO)c1C ZINC000055054434 563933542 /nfs/dbraw/zinc/93/35/42/563933542.db2.gz KMCGJKBCVXCDFV-UHFFFAOYSA-N 1 2 345.487 3.708 50 0 EHAALO CC[N@@H+](Cc1noc(CC(C)C)n1)Cc1c(C)cc(C)c(CO)c1C ZINC000055054434 563933544 /nfs/dbraw/zinc/93/35/44/563933544.db2.gz KMCGJKBCVXCDFV-UHFFFAOYSA-N 1 2 345.487 3.708 50 0 EHAALO CC[C@@H]1CCCC[N@@H+]1CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000057945182 563936087 /nfs/dbraw/zinc/93/60/87/563936087.db2.gz AZRPVYXSCUNGCY-SNVBAGLBSA-N 1 2 341.238 3.811 50 0 EHAALO CC[C@@H]1CCCC[N@H+]1CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000057945182 563936088 /nfs/dbraw/zinc/93/60/88/563936088.db2.gz AZRPVYXSCUNGCY-SNVBAGLBSA-N 1 2 341.238 3.811 50 0 EHAALO Cc1cc(N)nc(SCc2csc(COc3ccccc3)n2)[nH+]1 ZINC000060427530 563963516 /nfs/dbraw/zinc/96/35/16/563963516.db2.gz RFHLYZBHQPIGLH-UHFFFAOYSA-N 1 2 344.465 3.695 50 0 EHAALO Cc1ccc(-c2ccnc(N[C@H](C)c3nc(C(C)C)no3)n2)c(C)[nH+]1 ZINC000071614083 563964609 /nfs/dbraw/zinc/96/46/09/563964609.db2.gz CNXYJRQMYANJNE-CYBMUJFWSA-N 1 2 338.415 3.835 50 0 EHAALO CCCc1ncc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC000071721363 563964835 /nfs/dbraw/zinc/96/48/35/563964835.db2.gz MPXRCXLGYHAWQU-QGZVFWFLSA-N 1 2 331.847 3.656 50 0 EHAALO CCCc1ncc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC000071721363 563964836 /nfs/dbraw/zinc/96/48/36/563964836.db2.gz MPXRCXLGYHAWQU-QGZVFWFLSA-N 1 2 331.847 3.656 50 0 EHAALO FC(F)(F)c1cccc2c(N3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)cc[nH+]c21 ZINC000071767599 563965567 /nfs/dbraw/zinc/96/55/67/563965567.db2.gz GIHJPUHLTPHYOV-CRJCFHLZSA-N 1 2 334.341 3.867 50 0 EHAALO Cc1c2cccc(F)c2oc1C(=O)NCc1c[nH+]cn1CC(C)C ZINC000077357796 563969163 /nfs/dbraw/zinc/96/91/63/563969163.db2.gz HBDFQTFGPJKMKP-UHFFFAOYSA-N 1 2 329.375 3.663 50 0 EHAALO CCn1cc[nH+]c1CNc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000097227462 563970565 /nfs/dbraw/zinc/97/05/65/563970565.db2.gz CDYZVSGOWVMXLC-UHFFFAOYSA-N 1 2 346.862 3.795 50 0 EHAALO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(c2ccccc2)C(C)C)on1 ZINC000047273984 564026072 /nfs/dbraw/zinc/02/60/72/564026072.db2.gz IFPPASSOACMYJE-KRWDZBQOSA-N 1 2 327.428 3.562 50 0 EHAALO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(c2ccccc2)C(C)C)on1 ZINC000047273984 564026073 /nfs/dbraw/zinc/02/60/73/564026073.db2.gz IFPPASSOACMYJE-KRWDZBQOSA-N 1 2 327.428 3.562 50 0 EHAALO COc1ccccc1[C@@H](NC(=O)CC1CCCCC1)c1[nH+]ccn1C ZINC000044890335 564027656 /nfs/dbraw/zinc/02/76/56/564027656.db2.gz AKSFTCYCEJAZJV-LJQANCHMSA-N 1 2 341.455 3.605 50 0 EHAALO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000044914054 564027725 /nfs/dbraw/zinc/02/77/25/564027725.db2.gz SDWXZAMRYOQFRS-AWEZNQCLSA-N 1 2 339.443 3.746 50 0 EHAALO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000044914054 564027726 /nfs/dbraw/zinc/02/77/26/564027726.db2.gz SDWXZAMRYOQFRS-AWEZNQCLSA-N 1 2 339.443 3.746 50 0 EHAALO CC(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000048234622 564030111 /nfs/dbraw/zinc/03/01/11/564030111.db2.gz GUFIDGHITBZHSS-AWEZNQCLSA-N 1 2 346.452 3.501 50 0 EHAALO CCCN(C[C@H]1CCCCO1)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112966525 564032400 /nfs/dbraw/zinc/03/24/00/564032400.db2.gz NGQSIWIVAIDJRH-QGZVFWFLSA-N 1 2 326.444 3.633 50 0 EHAALO CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000032419971 564036046 /nfs/dbraw/zinc/03/60/46/564036046.db2.gz FHRCXUZJKBSDNZ-JKSUJKDBSA-N 1 2 326.444 3.602 50 0 EHAALO C[C@@H]1CCC[C@@H](N2CNC(Nc3nc4ccccc4s3)=[NH+]C2)[C@H]1C ZINC000239038555 564051567 /nfs/dbraw/zinc/05/15/67/564051567.db2.gz DKVCDNJJRMBTJV-VNHYZAJKSA-N 1 2 343.500 3.709 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000012559866 564059440 /nfs/dbraw/zinc/05/94/40/564059440.db2.gz XVLVJHBHBKTWOF-MRXNPFEDSA-N 1 2 343.789 3.732 50 0 EHAALO CN(Cc1[nH+]ccn1C)c1nc2ccccc2c(-c2ccccc2)n1 ZINC000012582076 564060080 /nfs/dbraw/zinc/06/00/80/564060080.db2.gz FDYIDTLWZWLKDB-UHFFFAOYSA-N 1 2 329.407 3.667 50 0 EHAALO CC(C)CN(Cc1ccco1)C(=O)N[C@H](c1[nH+]ccn1C)C(C)C ZINC000534635306 564061317 /nfs/dbraw/zinc/06/13/17/564061317.db2.gz SECFKGLHSADQFA-INIZCTEOSA-N 1 2 332.448 3.578 50 0 EHAALO O=C(CCCn1cc[nH+]c1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084209103 564067461 /nfs/dbraw/zinc/06/74/61/564067461.db2.gz AZZLTJCRWGBVSZ-UHFFFAOYSA-N 1 2 338.238 3.555 50 0 EHAALO Cn1ncc2c1nc[nH+]c2N1CCCC[C@H]1CCCc1ccccc1 ZINC000084310725 564067731 /nfs/dbraw/zinc/06/77/31/564067731.db2.gz ATTLJEDWGSORQP-KRWDZBQOSA-N 1 2 335.455 3.745 50 0 EHAALO Fc1cccc(Cl)c1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000012768769 564068428 /nfs/dbraw/zinc/06/84/28/564068428.db2.gz AQDFJYYQYDBVMO-UHFFFAOYSA-N 1 2 345.805 3.943 50 0 EHAALO O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[C@H]1CCCn2cc[nH+]c21 ZINC000088263211 564078724 /nfs/dbraw/zinc/07/87/24/564078724.db2.gz VHECNZWFPINOFR-OALUTQOASA-N 1 2 349.409 3.805 50 0 EHAALO O=C(CCc1cccc(Cl)c1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575612202 564082709 /nfs/dbraw/zinc/08/27/09/564082709.db2.gz JFHQIXZPUIXUMH-SFHVURJKSA-N 1 2 344.842 3.738 50 0 EHAALO CCOc1ccc(C(=O)N2CC[C@H](n3c(C)[nH+]c4ccccc43)C2)cc1 ZINC000575619086 564083741 /nfs/dbraw/zinc/08/37/41/564083741.db2.gz ZSWDQDBVNIJQJA-KRWDZBQOSA-N 1 2 349.434 3.831 50 0 EHAALO C[C@@H]1CCC[N@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000006381914 564085395 /nfs/dbraw/zinc/08/53/95/564085395.db2.gz KDELKZTYFSYDKU-CYBMUJFWSA-N 1 2 339.464 3.884 50 0 EHAALO C[C@@H]1CCC[N@@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000006381914 564085396 /nfs/dbraw/zinc/08/53/96/564085396.db2.gz KDELKZTYFSYDKU-CYBMUJFWSA-N 1 2 339.464 3.884 50 0 EHAALO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cccn2C2CC2)CC1 ZINC000390832979 564087098 /nfs/dbraw/zinc/08/70/98/564087098.db2.gz ABDDLSMOSIGTHT-UHFFFAOYSA-N 1 2 348.450 3.958 50 0 EHAALO CCS[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000267400799 564093283 /nfs/dbraw/zinc/09/32/83/564093283.db2.gz MWLDAEHPVTXUPM-ROUUACIJSA-N 1 2 343.496 3.726 50 0 EHAALO COCCC[C@H]1CCCCN1C(=O)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000426387064 564093556 /nfs/dbraw/zinc/09/35/56/564093556.db2.gz IVSDYWPZNQWREZ-GOSISDBHSA-N 1 2 341.455 3.508 50 0 EHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cc(F)cc(F)c1 ZINC000065172888 564102296 /nfs/dbraw/zinc/10/22/96/564102296.db2.gz VVFDXRLAPRLSPU-UHFFFAOYSA-N 1 2 345.393 3.670 50 0 EHAALO O=C(Nc1ccccc1)N1CCC(CCOc2cc[nH+]cc2)CC1 ZINC000065181099 564102392 /nfs/dbraw/zinc/10/23/92/564102392.db2.gz QSRALCOUVVMHPR-UHFFFAOYSA-N 1 2 325.412 3.795 50 0 EHAALO O=C(N[C@@H]1CCCOc2ccccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000372551379 564105869 /nfs/dbraw/zinc/10/58/69/564105869.db2.gz TYTFBHRWSDZIRY-LJQANCHMSA-N 1 2 347.418 3.575 50 0 EHAALO CCc1cnc(CCNc2[nH+]ccc(C)c2Br)s1 ZINC000170616261 564110042 /nfs/dbraw/zinc/11/00/42/564110042.db2.gz QUNZCHDJEKUMJW-UHFFFAOYSA-N 1 2 326.263 3.826 50 0 EHAALO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cccc3cccnc32)CC1 ZINC000071819435 564111229 /nfs/dbraw/zinc/11/12/29/564111229.db2.gz VYLQBLPVNJVJBE-QGZVFWFLSA-N 1 2 332.451 3.509 50 0 EHAALO Cn1cc[nH+]c1-c1cccc(NCc2ccccc2N2CCOCC2)c1 ZINC000089761496 564113583 /nfs/dbraw/zinc/11/35/83/564113583.db2.gz CHIRDSYXHNBIOP-UHFFFAOYSA-N 1 2 348.450 3.536 50 0 EHAALO O[C@H](C[N@H+](Cc1cscn1)Cc1ccccc1)c1cccs1 ZINC000089832647 564114101 /nfs/dbraw/zinc/11/41/01/564114101.db2.gz QFDINMLQBYGEIZ-MRXNPFEDSA-N 1 2 330.478 3.940 50 0 EHAALO O[C@H](C[N@@H+](Cc1cscn1)Cc1ccccc1)c1cccs1 ZINC000089832647 564114102 /nfs/dbraw/zinc/11/41/02/564114102.db2.gz QFDINMLQBYGEIZ-MRXNPFEDSA-N 1 2 330.478 3.940 50 0 EHAALO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000089828080 564114112 /nfs/dbraw/zinc/11/41/12/564114112.db2.gz UFHORHFOYKEGFN-SFHVURJKSA-N 1 2 346.434 3.677 50 0 EHAALO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000246590520 564117801 /nfs/dbraw/zinc/11/78/01/564117801.db2.gz TWAMYWKSMZHBCE-JOYOIKCWSA-N 1 2 342.226 3.899 50 0 EHAALO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000246590520 564117802 /nfs/dbraw/zinc/11/78/02/564117802.db2.gz TWAMYWKSMZHBCE-JOYOIKCWSA-N 1 2 342.226 3.899 50 0 EHAALO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000007689883 564121970 /nfs/dbraw/zinc/12/19/70/564121970.db2.gz GKWMWWCSZSFELZ-CYBMUJFWSA-N 1 2 325.437 3.755 50 0 EHAALO C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000007689883 564121971 /nfs/dbraw/zinc/12/19/71/564121971.db2.gz GKWMWWCSZSFELZ-CYBMUJFWSA-N 1 2 325.437 3.755 50 0 EHAALO CSc1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1C ZINC000253420352 564131015 /nfs/dbraw/zinc/13/10/15/564131015.db2.gz RGCIAMKPFAOJDL-CQSZACIVSA-N 1 2 330.457 3.610 50 0 EHAALO Cc1[nH+]cc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=N[C@@H]2O ZINC000013282290 564134045 /nfs/dbraw/zinc/13/40/45/564134045.db2.gz ZYISITHKPKHPKG-GOSISDBHSA-N 1 2 341.773 3.815 50 0 world EHAALO CS[C@H]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000078966683 564137482 /nfs/dbraw/zinc/13/74/82/564137482.db2.gz ACBKZMPPSNCWCP-CABCVRRESA-N 1 2 329.469 3.537 50 0 EHAALO Cc1ccccc1-c1nnc(SCc2cc[nH+]c(N(C)C)c2)n1C ZINC000390833657 564138819 /nfs/dbraw/zinc/13/88/19/564138819.db2.gz KYRPJUJYIATSBL-UHFFFAOYSA-N 1 2 339.468 3.544 50 0 EHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCc3ccccc3C2)cc1 ZINC000020662174 564141717 /nfs/dbraw/zinc/14/17/17/564141717.db2.gz WOANQQKQQFTSOF-UHFFFAOYSA-N 1 2 341.418 3.687 50 0 EHAALO CC(C)=CCOc1cccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000095961531 564142758 /nfs/dbraw/zinc/14/27/58/564142758.db2.gz WAEFXCKEAABNAU-QGZVFWFLSA-N 1 2 339.439 3.775 50 0 EHAALO O=C(c1ccccc1Br)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000096403426 564147177 /nfs/dbraw/zinc/14/71/77/564147177.db2.gz UVHAJKIWBYZOAR-CYBMUJFWSA-N 1 2 334.217 3.540 50 0 EHAALO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCSc2ccccc21 ZINC000096437600 564148088 /nfs/dbraw/zinc/14/80/88/564148088.db2.gz PYFZJZIIDAZPHS-HNNXBMFYSA-N 1 2 344.484 3.575 50 0 EHAALO CCS(=O)(=O)c1ccc(CNc2ccc3ccccc3[nH+]2)cc1 ZINC000302065842 564149774 /nfs/dbraw/zinc/14/97/74/564149774.db2.gz UJHWZQWVPKJQAR-UHFFFAOYSA-N 1 2 326.421 3.641 50 0 EHAALO C[NH+](C)Cc1nc2ccccc2c(=O)n1Cc1cccc2ccccc21 ZINC000002623429 564151291 /nfs/dbraw/zinc/15/12/91/564151291.db2.gz BFRABXVNACKFEU-UHFFFAOYSA-N 1 2 343.430 3.660 50 0 EHAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2ccccc2)no1 ZINC000057378912 564153823 /nfs/dbraw/zinc/15/38/23/564153823.db2.gz GINYPPYPMACEKT-LJQANCHMSA-N 1 2 335.407 3.795 50 0 EHAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)no1 ZINC000057378912 564153824 /nfs/dbraw/zinc/15/38/24/564153824.db2.gz GINYPPYPMACEKT-LJQANCHMSA-N 1 2 335.407 3.795 50 0 EHAALO Cc1cccc(-c2nnc([C@H](C)[NH+]3CCC(c4ccn[nH]4)CC3)o2)c1 ZINC000058208460 564158067 /nfs/dbraw/zinc/15/80/67/564158067.db2.gz IDRCORAEQVFTET-AWEZNQCLSA-N 1 2 337.427 3.709 50 0 EHAALO CCc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCOc2ccccc2)o1 ZINC000059368211 564161178 /nfs/dbraw/zinc/16/11/78/564161178.db2.gz LRBGDSVFHJQPAA-LJQANCHMSA-N 1 2 349.434 3.810 50 0 EHAALO CCc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCOc2ccccc2)o1 ZINC000059368211 564161179 /nfs/dbraw/zinc/16/11/79/564161179.db2.gz LRBGDSVFHJQPAA-LJQANCHMSA-N 1 2 349.434 3.810 50 0 EHAALO COc1ccc([C@H]2CCC[N@@H+]2Cn2nc(C3CC3)n(C)c2=S)cc1 ZINC000008734107 564167080 /nfs/dbraw/zinc/16/70/80/564167080.db2.gz ANYBFOMYYDGDJS-MRXNPFEDSA-N 1 2 344.484 3.632 50 0 EHAALO COc1ccc([C@H]2CCC[N@H+]2Cn2nc(C3CC3)n(C)c2=S)cc1 ZINC000008734107 564167081 /nfs/dbraw/zinc/16/70/81/564167081.db2.gz ANYBFOMYYDGDJS-MRXNPFEDSA-N 1 2 344.484 3.632 50 0 EHAALO CCN(Cc1ccoc1)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000069451342 564169594 /nfs/dbraw/zinc/16/95/94/564169594.db2.gz QIIHVFDPTYJYMB-HNNXBMFYSA-N 1 2 338.411 3.758 50 0 EHAALO CC[C@H](C)Sc1ccc(NC(=O)NCCn2cc[nH+]c2)c(C)c1 ZINC000069564213 564170509 /nfs/dbraw/zinc/17/05/09/564170509.db2.gz RIXKQKCDVBCEPB-AWEZNQCLSA-N 1 2 332.473 3.904 50 0 EHAALO O=C(CCc1ccc2ccccc2c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069659479 564171290 /nfs/dbraw/zinc/17/12/90/564171290.db2.gz URFKAOGUKMYKFW-HXUWFJFHSA-N 1 2 333.435 3.833 50 0 EHAALO O=C(c1cnc(-c2cccs2)s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069808960 564172230 /nfs/dbraw/zinc/17/22/30/564172230.db2.gz XPPGRGPDZWZMLR-LBPRGKRZSA-N 1 2 344.465 3.545 50 0 EHAALO Cc1c[nH+]c(-c2ccncc2)n1[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000581808196 1035618719 /nfs/dbraw/zinc/61/87/19/1035618719.db2.gz YCVKCDHVWMCHJM-GOSISDBHSA-N 1 2 338.455 3.607 50 0 EHAALO Clc1cccc([C@@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CCO2)c1 ZINC000185643687 1126967148 /nfs/dbraw/zinc/96/71/48/1126967148.db2.gz CRUFYDQCBSHJDH-SFHVURJKSA-N 1 2 327.815 3.790 50 0 EHAALO Clc1cccc([C@@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CCO2)c1 ZINC000185643687 1126967149 /nfs/dbraw/zinc/96/71/49/1126967149.db2.gz CRUFYDQCBSHJDH-SFHVURJKSA-N 1 2 327.815 3.790 50 0 EHAALO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1)c1nccn1C ZINC000182489626 1127332878 /nfs/dbraw/zinc/33/28/78/1127332878.db2.gz DILUMTSKNWDRRS-CYBMUJFWSA-N 1 2 326.375 3.597 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1C[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000575547651 1131572547 /nfs/dbraw/zinc/57/25/47/1131572547.db2.gz OUNOWYSUAVQBAU-QGZVFWFLSA-N 1 2 325.456 3.753 50 0 EHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000581808581 1132370848 /nfs/dbraw/zinc/37/08/48/1132370848.db2.gz YHBURAXBLIJWFX-SFHVURJKSA-N 1 2 338.455 3.607 50 0 EHAALO O=C(/C=C/c1nc2ccccc2o1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047533772 1133895946 /nfs/dbraw/zinc/89/59/46/1133895946.db2.gz ARRXCHNTTAYWRX-CMDGGOBGSA-N 1 2 330.347 3.665 50 0 EHAALO Clc1ccc2c(c1)C[N@H+](C1CCN(Cc3ccco3)CC1)CCO2 ZINC000952966159 1137484090 /nfs/dbraw/zinc/48/40/90/1137484090.db2.gz GDGSRZXFDIBATM-UHFFFAOYSA-N 1 2 346.858 3.792 50 0 EHAALO Clc1ccc2c(c1)C[N@@H+](C1CCN(Cc3ccco3)CC1)CCO2 ZINC000952966159 1137484091 /nfs/dbraw/zinc/48/40/91/1137484091.db2.gz GDGSRZXFDIBATM-UHFFFAOYSA-N 1 2 346.858 3.792 50 0 EHAALO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000222165296 1138245914 /nfs/dbraw/zinc/24/59/14/1138245914.db2.gz PWCXWQRWRQAAPR-VAKHZTPDSA-N 1 2 347.462 3.923 50 0 EHAALO Cc1ccc([C@@H](CC(=O)NCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000055090505 214271986 /nfs/dbraw/zinc/27/19/86/214271986.db2.gz ADYPZJBFNSFNJQ-FQEVSTJZSA-N 1 2 333.435 3.530 50 0 EHAALO Cc1oc(-c2ccco2)nc1C[N@@H+](C)Cc1ccc2nsnc2c1 ZINC000055133601 214277681 /nfs/dbraw/zinc/27/76/81/214277681.db2.gz IKNRRKMQYBPFNE-UHFFFAOYSA-N 1 2 340.408 3.880 50 0 EHAALO Cc1oc(-c2ccco2)nc1C[N@H+](C)Cc1ccc2nsnc2c1 ZINC000055133601 214277685 /nfs/dbraw/zinc/27/76/85/214277685.db2.gz IKNRRKMQYBPFNE-UHFFFAOYSA-N 1 2 340.408 3.880 50 0 EHAALO S=C(NCCCn1cc[nH+]c1)Nc1ccc(Cl)c(Cl)c1 ZINC000004613422 210232668 /nfs/dbraw/zinc/23/26/68/210232668.db2.gz VRFUCBOHOQPWGG-UHFFFAOYSA-N 1 2 329.256 3.567 50 0 EHAALO CC(C)n1cc[nH+]c1CN1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067458708 215148163 /nfs/dbraw/zinc/14/81/63/215148163.db2.gz HMXYQEATBKIXJE-UHFFFAOYSA-N 1 2 340.402 3.816 50 0 EHAALO CC(C)CN(C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1)C1CC1 ZINC000067788826 215214190 /nfs/dbraw/zinc/21/41/90/215214190.db2.gz XWHUWOAIPSFVAZ-UHFFFAOYSA-N 1 2 341.455 3.567 50 0 EHAALO CC(C)CN(C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1)C1CC1 ZINC000067788826 215214194 /nfs/dbraw/zinc/21/41/94/215214194.db2.gz XWHUWOAIPSFVAZ-UHFFFAOYSA-N 1 2 341.455 3.567 50 0 EHAALO CCn1cc[nH+]c1Cn1cnc(-c2ccccc2)c1-c1c(C)n[nH]c1C ZINC000067920938 215250878 /nfs/dbraw/zinc/25/08/78/215250878.db2.gz VPCUNKAGWNDYSE-UHFFFAOYSA-N 1 2 346.438 3.822 50 0 EHAALO C[C@H](c1nc(C2CC2)no1)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000069386894 215397143 /nfs/dbraw/zinc/39/71/43/215397143.db2.gz MSNIKQNTMWUDEF-ZIAGYGMSSA-N 1 2 344.434 3.526 50 0 EHAALO CCN(CC)c1ccc(CNC(=O)c2ccc(F)cc2Cl)c[nH+]1 ZINC000040118594 213268377 /nfs/dbraw/zinc/26/83/77/213268377.db2.gz VTNBPWUFBCXNEG-UHFFFAOYSA-N 1 2 335.810 3.650 50 0 EHAALO COc1ccccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000036652233 213107458 /nfs/dbraw/zinc/10/74/58/213107458.db2.gz ZGBJHGOAKLYYOL-UHFFFAOYSA-N 1 2 345.468 3.636 50 0 EHAALO OC(c1ccccc1)(c1ccccc1)C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000072158628 216048174 /nfs/dbraw/zinc/04/81/74/216048174.db2.gz BFRXYIXEUJXGEB-UHFFFAOYSA-N 1 2 347.462 3.558 50 0 EHAALO O=C(c1ccc2occc2c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072425255 216214460 /nfs/dbraw/zinc/21/44/60/216214460.db2.gz UESNZSDGGMNAQQ-UHFFFAOYSA-N 1 2 338.382 3.530 50 0 EHAALO CCc1noc(CCn2cc[nH+]c2-c2ccccc2-c2ccco2)n1 ZINC000072454663 216243156 /nfs/dbraw/zinc/24/31/56/216243156.db2.gz ZUVHMTHNYWNCAM-UHFFFAOYSA-N 1 2 334.379 3.998 50 0 EHAALO C[N@H+](Cc1ccccc1)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000023718015 212391761 /nfs/dbraw/zinc/39/17/61/212391761.db2.gz SDJKAMPMQPHABY-UHFFFAOYSA-N 1 2 347.340 3.574 50 0 EHAALO C[N@@H+](Cc1ccccc1)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000023718015 212391765 /nfs/dbraw/zinc/39/17/65/212391765.db2.gz SDJKAMPMQPHABY-UHFFFAOYSA-N 1 2 347.340 3.574 50 0 EHAALO Cc1[nH]c([C@@H]2CC(=O)N(C3CCCC3)C2)[nH+]c1-c1ccccc1F ZINC000023311996 212367819 /nfs/dbraw/zinc/36/78/19/212367819.db2.gz MWRIEMLYXXUQRK-CYBMUJFWSA-N 1 2 327.403 3.783 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[NH+]1CCC(C)CC1)S2 ZINC000023156765 212356606 /nfs/dbraw/zinc/35/66/06/212356606.db2.gz MVQMVJJLPOHVSA-OAHLLOKOSA-N 1 2 342.468 3.626 50 0 EHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[NH+]1CCCCC1)S2 ZINC000022853023 212329301 /nfs/dbraw/zinc/32/93/01/212329301.db2.gz RVLVFVCBMOZGCB-HNNXBMFYSA-N 1 2 342.468 3.634 50 0 EHAALO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1nccs1)OCCCO2 ZINC000215995375 241157444 /nfs/dbraw/zinc/15/74/44/241157444.db2.gz GIUGIXMGZPZCGL-AWEZNQCLSA-N 1 2 346.452 3.650 50 0 EHAALO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1nccs1)OCCCO2 ZINC000215995375 241157449 /nfs/dbraw/zinc/15/74/49/241157449.db2.gz GIUGIXMGZPZCGL-AWEZNQCLSA-N 1 2 346.452 3.650 50 0 EHAALO CCCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(=O)OC)cc2)no1 ZINC000021719784 212243666 /nfs/dbraw/zinc/24/36/66/212243666.db2.gz WOSYUFJOROZAEW-GOSISDBHSA-N 1 2 328.412 3.751 50 0 EHAALO CCCc1cc([C@H]2CCC[N@H+]2Cc2ccc(C(=O)OC)cc2)no1 ZINC000021719784 212243670 /nfs/dbraw/zinc/24/36/70/212243670.db2.gz WOSYUFJOROZAEW-GOSISDBHSA-N 1 2 328.412 3.751 50 0 EHAALO Cc1ccc(-c2ccnc(CC[C@H]3COc4ccccc4O3)n2)c(C)[nH+]1 ZINC000244884357 243098649 /nfs/dbraw/zinc/09/86/49/243098649.db2.gz YLCASJRBVQWRCL-INIZCTEOSA-N 1 2 347.418 3.928 50 0 EHAALO c1ccc(-c2nc3c4ccccc4ccn3c2C[NH+]2CCOCC2)cc1 ZINC000020058831 212098661 /nfs/dbraw/zinc/09/86/61/212098661.db2.gz BCRUAFXSGYZNBE-UHFFFAOYSA-N 1 2 343.430 3.987 50 0 EHAALO O=C(c1cccc2ccccc21)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000019842093 212074989 /nfs/dbraw/zinc/07/49/89/212074989.db2.gz WFQQWXIFGRMRIK-UHFFFAOYSA-N 1 2 348.421 3.937 50 0 EHAALO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000019812893 212071214 /nfs/dbraw/zinc/07/12/14/212071214.db2.gz SKZFHZXKVMQAGR-UHFFFAOYSA-N 1 2 344.842 3.733 50 0 EHAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012620782 211425179 /nfs/dbraw/zinc/42/51/79/211425179.db2.gz UPSNPDIGMOVOSN-IXDOHACOSA-N 1 2 338.451 3.790 50 0 EHAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012620782 211425181 /nfs/dbraw/zinc/42/51/81/211425181.db2.gz UPSNPDIGMOVOSN-IXDOHACOSA-N 1 2 338.451 3.790 50 0 EHAALO Cc1cccc2[nH+]c(CNc3ccc(-c4nc(C5CC5)no4)cn3)cn21 ZINC000012317739 211343835 /nfs/dbraw/zinc/34/38/35/211343835.db2.gz GFVBOOXCWVCICL-UHFFFAOYSA-N 1 2 346.394 3.577 50 0 EHAALO Cc1cccc(C[NH+](Cc2cccc(C)n2)Cc2nc(C)ccc2O)n1 ZINC000091893977 218085101 /nfs/dbraw/zinc/08/51/01/218085101.db2.gz SSASBIQRNQQRME-UHFFFAOYSA-N 1 2 348.450 3.705 50 0 EHAALO Cc1cc(CC(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)ccc1F ZINC000095391308 218322171 /nfs/dbraw/zinc/32/21/71/218322171.db2.gz QERLDWIXMPQVEC-QGZVFWFLSA-N 1 2 343.446 3.860 50 0 EHAALO C[C@@H]1CCN(C(=O)Nc2cccc3cccnc32)C[C@H]1n1cc[nH+]c1 ZINC000095412944 218350407 /nfs/dbraw/zinc/35/04/07/218350407.db2.gz MZSJXBWJPHOZQV-RHSMWYFYSA-N 1 2 335.411 3.546 50 0 EHAALO Cc1cccc2[nH+]c(C[S@](=O)c3ncc(C(C)(C)C)s3)cn21 ZINC000095440989 218385544 /nfs/dbraw/zinc/38/55/44/218385544.db2.gz SUZBNNGFOYHHOR-JOCHJYFZSA-N 1 2 333.482 3.705 50 0 EHAALO Fc1cccc(N2CCCC2)c1NCc1[nH+]ccn1CC(F)(F)F ZINC000096427533 218799867 /nfs/dbraw/zinc/79/98/67/218799867.db2.gz REMOSRYHKZZWDO-UHFFFAOYSA-N 1 2 342.340 3.797 50 0 EHAALO C[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1ncc(-c2ccccc2)o1 ZINC000097112315 218961150 /nfs/dbraw/zinc/96/11/50/218961150.db2.gz MDDUKBFKAGDJTC-ZDUSSCGKSA-N 1 2 339.370 3.770 50 0 EHAALO O=C(NCc1c(F)cccc1Cl)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097551327 219034336 /nfs/dbraw/zinc/03/43/36/219034336.db2.gz SYYPNZPRTGMHBQ-UHFFFAOYSA-N 1 2 329.762 3.799 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cccc2oc(C)nc21 ZINC000281300448 258013430 /nfs/dbraw/zinc/01/34/30/258013430.db2.gz ARMOGQBLABGBGL-OAHLLOKOSA-N 1 2 338.411 3.720 50 0 EHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc(F)cc1F ZINC000040122093 258059712 /nfs/dbraw/zinc/05/97/12/258059712.db2.gz DQCNUJBWHAUYTM-UHFFFAOYSA-N 1 2 345.393 3.670 50 0 EHAALO FC(F)(F)c1cccc([C@H]([NH2+]Cc2cncnc2)c2cccnc2)c1 ZINC000122708888 222141904 /nfs/dbraw/zinc/14/19/04/222141904.db2.gz BMPMMGONYFHMSF-KRWDZBQOSA-N 1 2 344.340 3.770 50 0 EHAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1c(C)cc(C)cc1C ZINC000000106860 563228367 /nfs/dbraw/zinc/22/83/67/563228367.db2.gz GZZYTKJWRQEJEN-KRWDZBQOSA-N 1 2 338.451 3.964 50 0 EHAALO C[C@H](c1ccc(Cl)cc1)N(C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000071913567 563600542 /nfs/dbraw/zinc/60/05/42/563600542.db2.gz BRQLNMDCPIFPLD-CQSZACIVSA-N 1 2 346.862 3.862 50 0 EHAALO COc1cccc([C@H](C)[N@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000012582424 563663883 /nfs/dbraw/zinc/66/38/83/563663883.db2.gz IEKUPYYGMOPRGP-LBPRGKRZSA-N 1 2 329.425 4.000 50 0 EHAALO COc1cccc([C@H](C)[N@@H+](C)Cc2nc(-c3cccs3)no2)c1 ZINC000012582424 563663885 /nfs/dbraw/zinc/66/38/85/563663885.db2.gz IEKUPYYGMOPRGP-LBPRGKRZSA-N 1 2 329.425 4.000 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2F)c1C ZINC000012792346 563672046 /nfs/dbraw/zinc/67/20/46/563672046.db2.gz UNMZYVSHBSISAM-WCQYABFASA-N 1 2 330.403 3.895 50 0 EHAALO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000016602639 563815734 /nfs/dbraw/zinc/81/57/34/563815734.db2.gz AKAVIHSUSHHJSV-UHFFFAOYSA-N 1 2 339.222 3.544 50 0 EHAALO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cc2c(s1)CCC2 ZINC000058357012 563943583 /nfs/dbraw/zinc/94/35/83/563943583.db2.gz ZRKNVMUFRPNFEK-UHFFFAOYSA-N 1 2 341.480 3.552 50 0 EHAALO CN(C)c1[nH+]cccc1NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000058357404 563943615 /nfs/dbraw/zinc/94/36/15/563943615.db2.gz LDYTXDRHKOBAJI-UHFFFAOYSA-N 1 2 335.407 3.564 50 0 EHAALO CC[C@@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccccc1Br ZINC000096492259 563955697 /nfs/dbraw/zinc/95/56/97/563955697.db2.gz KGHUIYIXTUXTAH-CYBMUJFWSA-N 1 2 336.233 3.950 50 0 EHAALO CC(=O)NCCC1=CCC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000065429045 563960855 /nfs/dbraw/zinc/96/08/55/563960855.db2.gz VICPGCFRVSBFGU-UHFFFAOYSA-N 1 2 344.352 3.503 50 0 EHAALO CC(=O)NCCC1=CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000065429045 563960856 /nfs/dbraw/zinc/96/08/56/563960856.db2.gz VICPGCFRVSBFGU-UHFFFAOYSA-N 1 2 344.352 3.503 50 0 EHAALO c1cn(CCCn2cc[nH+]c2)c(-c2nc(-c3ccccc3)cs2)n1 ZINC000067724761 563962597 /nfs/dbraw/zinc/96/25/97/563962597.db2.gz HHKDEHOEMQUUPJ-UHFFFAOYSA-N 1 2 335.436 3.960 50 0 EHAALO Cc1ncnc(NCc2ccc[nH+]c2N2CCc3ccccc3C2)c1C ZINC000067784156 563962731 /nfs/dbraw/zinc/96/27/31/563962731.db2.gz UPFMLNNKCOXCJM-UHFFFAOYSA-N 1 2 345.450 3.663 50 0 EHAALO c1cn(C[C@H]2CCCCO2)c(-c2cnc(NCc3ccccc3)nc2)[nH+]1 ZINC000071662619 563964721 /nfs/dbraw/zinc/96/47/21/563964721.db2.gz CPFWOIUBLXUVDL-GOSISDBHSA-N 1 2 349.438 3.521 50 0 EHAALO C[C@H](c1[nH+]ccn1Cc1csc(-c2ncccn2)n1)c1ccccc1 ZINC000077355130 563969129 /nfs/dbraw/zinc/96/91/29/563969129.db2.gz FZAXRQJELHSASI-AWEZNQCLSA-N 1 2 347.447 3.997 50 0 EHAALO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000077488776 563969966 /nfs/dbraw/zinc/96/99/66/563969966.db2.gz PTSUCYXXDZFYLC-CQSZACIVSA-N 1 2 326.425 3.839 50 0 EHAALO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000077488776 563969967 /nfs/dbraw/zinc/96/99/67/563969967.db2.gz PTSUCYXXDZFYLC-CQSZACIVSA-N 1 2 326.425 3.839 50 0 EHAALO Cc1ccccc1SC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000082157762 563972803 /nfs/dbraw/zinc/97/28/03/563972803.db2.gz WJVOTXDZEXTWCU-MRXNPFEDSA-N 1 2 343.496 3.926 50 0 EHAALO O=C(c1cccc(Cl)c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033292901 563973138 /nfs/dbraw/zinc/97/31/38/563973138.db2.gz GUMVUXYDSKHJOY-YVMONPNESA-N 1 2 340.854 3.811 50 0 EHAALO CC(C)c1ccccc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000128400246 563996088 /nfs/dbraw/zinc/99/60/88/563996088.db2.gz JJSCVNLDODYIPL-UHFFFAOYSA-N 1 2 338.455 3.555 50 0 EHAALO OCCNc1[nH+]c2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000005184946 564000100 /nfs/dbraw/zinc/00/01/00/564000100.db2.gz GTDRVDFKASZSGX-UHFFFAOYSA-N 1 2 336.222 3.796 50 0 EHAALO O=C(Nc1ccccc1Cl)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000075140568 564000283 /nfs/dbraw/zinc/00/02/83/564000283.db2.gz DESHRCAHVSDMRZ-KRWDZBQOSA-N 1 2 329.831 3.728 50 0 EHAALO O=C(Nc1ccccc1Cl)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000075140568 564000284 /nfs/dbraw/zinc/00/02/84/564000284.db2.gz DESHRCAHVSDMRZ-KRWDZBQOSA-N 1 2 329.831 3.728 50 0 EHAALO CCOCCCNc1[nH+]cnc2c1cnn2-c1cc(Cl)ccc1C ZINC000017306894 564011568 /nfs/dbraw/zinc/01/15/68/564011568.db2.gz IBKGYMDXZPYIDO-UHFFFAOYSA-N 1 2 345.834 3.616 50 0 EHAALO O=C(Nc1ccccc1-c1ccncc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180478530 564013391 /nfs/dbraw/zinc/01/33/91/564013391.db2.gz PWHUJOANEDYSAU-QGZVFWFLSA-N 1 2 347.422 3.642 50 0 EHAALO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cc(Cl)ccc1F ZINC000047417527 564026264 /nfs/dbraw/zinc/02/62/64/564026264.db2.gz XWMWKXCKENVZJA-UHFFFAOYSA-N 1 2 347.821 3.794 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1c(C)oc(C)c1C ZINC000045828747 564028729 /nfs/dbraw/zinc/02/87/29/564028729.db2.gz JJHRIKJXPDZBJR-UHFFFAOYSA-N 1 2 325.412 3.683 50 0 EHAALO CCc1cccc(OCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000012560276 564059574 /nfs/dbraw/zinc/05/95/74/564059574.db2.gz QFZASGNPBGRFNJ-INIZCTEOSA-N 1 2 349.434 3.691 50 0 EHAALO CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000015416655 564062040 /nfs/dbraw/zinc/06/20/40/564062040.db2.gz SQISQWSEZNNEIW-AWEZNQCLSA-N 1 2 338.407 3.988 50 0 EHAALO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000015416655 564062041 /nfs/dbraw/zinc/06/20/41/564062041.db2.gz SQISQWSEZNNEIW-AWEZNQCLSA-N 1 2 338.407 3.988 50 0 EHAALO O=C(NCCc1cn2ccccc2[nH+]1)c1cc(Cl)sc1Cl ZINC000012667477 564062541 /nfs/dbraw/zinc/06/25/41/564062541.db2.gz OYFOMQIRFYQJPH-UHFFFAOYSA-N 1 2 340.235 3.675 50 0 EHAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000012915311 564078109 /nfs/dbraw/zinc/07/81/09/564078109.db2.gz HWIQQFUXYNKLAT-UHFFFAOYSA-N 1 2 338.860 3.789 50 0 EHAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000012915311 564078110 /nfs/dbraw/zinc/07/81/10/564078110.db2.gz HWIQQFUXYNKLAT-UHFFFAOYSA-N 1 2 338.860 3.789 50 0 EHAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000089459612 564090695 /nfs/dbraw/zinc/09/06/95/564090695.db2.gz ACIOULHPZJKTMA-INIZCTEOSA-N 1 2 345.830 3.519 50 0 EHAALO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000089459612 564090696 /nfs/dbraw/zinc/09/06/96/564090696.db2.gz ACIOULHPZJKTMA-INIZCTEOSA-N 1 2 345.830 3.519 50 0 EHAALO CC[C@@H](c1cccnc1)N(C)C(=O)c1cccc(-c2[nH+]ccn2C)c1 ZINC000426398000 564093597 /nfs/dbraw/zinc/09/35/97/564093597.db2.gz CMBBXXYFIGKJLG-SFHVURJKSA-N 1 2 334.423 3.705 50 0 EHAALO CCCNC(=O)N(Cc1[nH+]ccn1Cc1ccccc1F)CC(C)C ZINC000006690570 564095863 /nfs/dbraw/zinc/09/58/63/564095863.db2.gz BYWIGAIAONMRTO-UHFFFAOYSA-N 1 2 346.450 3.648 50 0 EHAALO S=C(NC1=[NH+]N(c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000064891732 564097527 /nfs/dbraw/zinc/09/75/27/564097527.db2.gz VPEYICZDRDTRPA-UHFFFAOYSA-N 1 2 336.464 3.686 50 0 EHAALO CN(Cc1[nH+]ccn1C)c1ncnc2sc(-c3ccccc3)cc21 ZINC000006909106 564101167 /nfs/dbraw/zinc/10/11/67/564101167.db2.gz KCUSYSMYUUYEOG-UHFFFAOYSA-N 1 2 335.436 3.728 50 0 EHAALO Cc1ccn2c(CNc3cccc(Oc4cnccn4)c3)c[nH+]c2c1 ZINC000089700839 564113238 /nfs/dbraw/zinc/11/32/38/564113238.db2.gz KTKOCPQLYLIUCB-UHFFFAOYSA-N 1 2 331.379 3.837 50 0 EHAALO c1ccc2oc(CCC[N@@H+]3CCC[C@@H]3c3noc(C4CC4)n3)nc2c1 ZINC000076047462 564114782 /nfs/dbraw/zinc/11/47/82/564114782.db2.gz KFKGOBWRUAYOTA-OAHLLOKOSA-N 1 2 338.411 3.858 50 0 EHAALO c1ccc2oc(CCC[N@H+]3CCC[C@@H]3c3noc(C4CC4)n3)nc2c1 ZINC000076047462 564114783 /nfs/dbraw/zinc/11/47/83/564114783.db2.gz KFKGOBWRUAYOTA-OAHLLOKOSA-N 1 2 338.411 3.858 50 0 EHAALO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C(C)(C)C)c1nc(C2CC2)no1 ZINC000076046814 564114920 /nfs/dbraw/zinc/11/49/20/564114920.db2.gz CRGCLHWCRBTHSF-FZMZJTMJSA-N 1 2 329.448 3.627 50 0 EHAALO Fc1cc([C@H]2CCC[N@@H+]2Cc2cncnc2)ccc1Br ZINC000253432742 564131929 /nfs/dbraw/zinc/13/19/29/564131929.db2.gz NINGISHZFFNFQR-OAHLLOKOSA-N 1 2 336.208 3.715 50 0 EHAALO Fc1cc([C@H]2CCC[N@H+]2Cc2cncnc2)ccc1Br ZINC000253432742 564131930 /nfs/dbraw/zinc/13/19/30/564131930.db2.gz NINGISHZFFNFQR-OAHLLOKOSA-N 1 2 336.208 3.715 50 0 EHAALO FC(F)(F)c1ccccc1OC1CC[NH+](Cc2ncccn2)CC1 ZINC000225400908 564134440 /nfs/dbraw/zinc/13/44/40/564134440.db2.gz DMAIAHMCAGTSEQ-UHFFFAOYSA-N 1 2 337.345 3.539 50 0 EHAALO Cc1nnc(SCc2ccc(-n3cc[nH+]c3)cc2C)n1C(C)C ZINC000225450132 564134814 /nfs/dbraw/zinc/13/48/14/564134814.db2.gz WKWQPNGSWQEFCQ-UHFFFAOYSA-N 1 2 327.457 3.954 50 0 EHAALO C[C@H]1CCCN(c2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)C1 ZINC000020662196 564141748 /nfs/dbraw/zinc/14/17/48/564141748.db2.gz JVPKVQJPHXIXRL-LBPRGKRZSA-N 1 2 327.819 3.705 50 0 EHAALO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(C3CCC3)n2C)cc1 ZINC000096008294 564144591 /nfs/dbraw/zinc/14/45/91/564144591.db2.gz GBCRFFQLSPEGMM-GOSISDBHSA-N 1 2 340.471 3.818 50 0 EHAALO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nnc(C3CCC3)n2C)cc1 ZINC000096008294 564144592 /nfs/dbraw/zinc/14/45/92/564144592.db2.gz GBCRFFQLSPEGMM-GOSISDBHSA-N 1 2 340.471 3.818 50 0 EHAALO CCOc1ccc(NC(=O)CCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000096102090 564145234 /nfs/dbraw/zinc/14/52/34/564145234.db2.gz FVEATWZPYCPDQW-UHFFFAOYSA-N 1 2 339.439 3.652 50 0 EHAALO c1ccc(OCc2noc(Cn3c4ccccc4[nH+]c3C3CC3)n2)cc1 ZINC000096405227 564147286 /nfs/dbraw/zinc/14/72/86/564147286.db2.gz ZVQDCHGOPDQXKL-UHFFFAOYSA-N 1 2 346.390 3.924 50 0 EHAALO COc1ccccc1-c1nnc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)o1 ZINC000096490741 564148708 /nfs/dbraw/zinc/14/87/08/564148708.db2.gz KXKLETBOJLIVOH-LLVKDONJSA-N 1 2 345.349 3.874 50 0 EHAALO CC(=O)c1cc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)n(C)c1 ZINC000670459519 564160969 /nfs/dbraw/zinc/16/09/69/564160969.db2.gz IGQFIMMCCISOIY-UHFFFAOYSA-N 1 2 346.858 3.925 50 0 EHAALO CCc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCOc2ccccc2)o1 ZINC000059368210 564161141 /nfs/dbraw/zinc/16/11/41/564161141.db2.gz LRBGDSVFHJQPAA-IBGZPJMESA-N 1 2 349.434 3.810 50 0 EHAALO CCc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCOc2ccccc2)o1 ZINC000059368210 564161142 /nfs/dbraw/zinc/16/11/42/564161142.db2.gz LRBGDSVFHJQPAA-IBGZPJMESA-N 1 2 349.434 3.810 50 0 EHAALO Cc1cc(C)n2c(nc(=S)n2C[N@@H+]2CCC[C@H]2c2cccs2)n1 ZINC000008114057 564162721 /nfs/dbraw/zinc/16/27/21/564162721.db2.gz ZEIJLSVSOCWWHP-ZDUSSCGKSA-N 1 2 345.497 3.733 50 0 EHAALO Cc1cc(C)n2c(nc(=S)n2C[N@H+]2CCC[C@H]2c2cccs2)n1 ZINC000008114057 564162722 /nfs/dbraw/zinc/16/27/22/564162722.db2.gz ZEIJLSVSOCWWHP-ZDUSSCGKSA-N 1 2 345.497 3.733 50 0 EHAALO Cc1cccn2cc(COC(=O)COc3ccc(Cl)c(C)c3)[nH+]c12 ZINC000008135156 564163112 /nfs/dbraw/zinc/16/31/12/564163112.db2.gz WGLKJCZRHZBTMZ-UHFFFAOYSA-N 1 2 344.798 3.727 50 0 EHAALO O=C(c1cc2cc(F)ccc2s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069919796 564172847 /nfs/dbraw/zinc/17/28/47/564172847.db2.gz TXQHGGBBEHHKHM-AWEZNQCLSA-N 1 2 329.400 3.714 50 0 EHAALO C[C@H]1CCc2c(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)csc2C1 ZINC000069976291 564173048 /nfs/dbraw/zinc/17/30/48/564173048.db2.gz OBMJYJXVUFZKJP-UONOGXRCSA-N 1 2 329.469 3.547 50 0 EHAALO O=C(C[N@H+]1CCCC[C@H]1c1cccc(F)c1)NCc1cccs1 ZINC000252502179 568419094 /nfs/dbraw/zinc/41/90/94/568419094.db2.gz UNDMMNFSKXXZQY-KRWDZBQOSA-N 1 2 332.444 3.731 50 0 EHAALO O=C(C[N@@H+]1CCCC[C@H]1c1cccc(F)c1)NCc1cccs1 ZINC000252502179 568419097 /nfs/dbraw/zinc/41/90/97/568419097.db2.gz UNDMMNFSKXXZQY-KRWDZBQOSA-N 1 2 332.444 3.731 50 0 EHAALO CCCOc1cccc2c(NCC3CCN(C(C)=O)CC3)cc[nH+]c12 ZINC000194713513 1032516499 /nfs/dbraw/zinc/51/64/99/1032516499.db2.gz UGHRQLOGIDPOBV-UHFFFAOYSA-N 1 2 341.455 3.694 50 0 EHAALO Cc1oc(-c2ccoc2)nc1C[N@@H+](C)Cc1ccc2nsnc2c1 ZINC000020599225 1018188608 /nfs/dbraw/zinc/18/86/08/1018188608.db2.gz JPEOJRNCUSVDTF-UHFFFAOYSA-N 1 2 340.408 3.880 50 0 EHAALO Cc1oc(-c2ccoc2)nc1C[N@H+](C)Cc1ccc2nsnc2c1 ZINC000020599225 1018188613 /nfs/dbraw/zinc/18/86/13/1018188613.db2.gz JPEOJRNCUSVDTF-UHFFFAOYSA-N 1 2 340.408 3.880 50 0 EHAALO Cc1cc(C)c(NC(=O)N2CCOc3cc(F)ccc3C2)c(C)[nH+]1 ZINC000626568469 1033147545 /nfs/dbraw/zinc/14/75/45/1033147545.db2.gz GIYVKAASBNPXPX-UHFFFAOYSA-N 1 2 329.375 3.572 50 0 EHAALO O=C(Nc1ccccc1)c1nnc(C[N@@H+]2CCC[C@@H]2C2CCC2)s1 ZINC000182433405 1125294913 /nfs/dbraw/zinc/29/49/13/1125294913.db2.gz CTMFCJOVQQNTDL-OAHLLOKOSA-N 1 2 342.468 3.555 50 0 EHAALO O=C(Nc1ccccc1)c1nnc(C[N@H+]2CCC[C@@H]2C2CCC2)s1 ZINC000182433405 1125294916 /nfs/dbraw/zinc/29/49/16/1125294916.db2.gz CTMFCJOVQQNTDL-OAHLLOKOSA-N 1 2 342.468 3.555 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1C1CCN(C(=O)c2cccn2C)CC1 ZINC000575551828 1131573295 /nfs/dbraw/zinc/57/32/95/1131573295.db2.gz ZQMPNRAPZOHYKT-UHFFFAOYSA-N 1 2 348.450 3.674 50 0 EHAALO Cc1oc(-c2ccoc2)nc1C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000055090830 214272423 /nfs/dbraw/zinc/27/24/23/214272423.db2.gz PSESVZOKJQGEBS-HNNXBMFYSA-N 1 2 340.379 3.515 50 0 EHAALO Cc1oc(-c2ccoc2)nc1C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000055090830 214272425 /nfs/dbraw/zinc/27/24/25/214272425.db2.gz PSESVZOKJQGEBS-HNNXBMFYSA-N 1 2 340.379 3.515 50 0 EHAALO C[N@H+](Cc1nc(-c2ccccn2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000055195450 214286695 /nfs/dbraw/zinc/28/66/95/214286695.db2.gz KWMHIUBGEIJLDQ-UHFFFAOYSA-N 1 2 348.328 3.782 50 0 EHAALO C[N@@H+](Cc1nc(-c2ccccn2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000055195450 214286699 /nfs/dbraw/zinc/28/66/99/214286699.db2.gz KWMHIUBGEIJLDQ-UHFFFAOYSA-N 1 2 348.328 3.782 50 0 EHAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1cc2cc(C)ccc2nc1C ZINC000055327469 214307374 /nfs/dbraw/zinc/30/73/74/214307374.db2.gz GKFSSXZVYRXMCE-UHFFFAOYSA-N 1 2 336.439 3.638 50 0 EHAALO COc1cc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000097775745 219056957 /nfs/dbraw/zinc/05/69/57/219056957.db2.gz BXCOCXDWDXYSEV-MRXNPFEDSA-N 1 2 331.387 3.799 50 0 EHAALO COc1cc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000097775745 219056959 /nfs/dbraw/zinc/05/69/59/219056959.db2.gz BXCOCXDWDXYSEV-MRXNPFEDSA-N 1 2 331.387 3.799 50 0 EHAALO Clc1ccc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1 ZINC000049546503 214016348 /nfs/dbraw/zinc/01/63/48/214016348.db2.gz QAGHURMCJVCBJM-UHFFFAOYSA-N 1 2 347.875 3.882 50 0 EHAALO C[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1F ZINC000003420042 210034826 /nfs/dbraw/zinc/03/48/26/210034826.db2.gz FWHLRFPBZMYYKK-UHFFFAOYSA-N 1 2 340.320 3.915 50 0 EHAALO C[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccccc1F ZINC000003420042 210034829 /nfs/dbraw/zinc/03/48/29/210034829.db2.gz FWHLRFPBZMYYKK-UHFFFAOYSA-N 1 2 340.320 3.915 50 0 EHAALO Cc1ccsc1-c1cccc(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000067354941 215136307 /nfs/dbraw/zinc/13/63/07/215136307.db2.gz IIJNZGFLHCSDHP-UHFFFAOYSA-N 1 2 326.425 3.742 50 0 EHAALO O=C(CCc1ccccc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000067621472 215169215 /nfs/dbraw/zinc/16/92/15/215169215.db2.gz FKGRSSCSUZGPGY-UHFFFAOYSA-N 1 2 339.826 3.775 50 0 EHAALO CC(C)c1csc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccoc2)n1 ZINC000067818064 215220442 /nfs/dbraw/zinc/22/04/42/215220442.db2.gz VRUPLEDZTJOMBW-KRWDZBQOSA-N 1 2 328.441 3.730 50 0 EHAALO Cc1c[nH+]c(C)nc1N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000067935111 215252409 /nfs/dbraw/zinc/25/24/09/215252409.db2.gz WVCRBFYQVLAFHZ-IBGZPJMESA-N 1 2 345.874 3.568 50 0 EHAALO Cc1[nH+]c(CN2CCC(c3cc(C(C)C)[nH]n3)CC2)c2ccccn12 ZINC000067966747 215261570 /nfs/dbraw/zinc/26/15/70/215261570.db2.gz YPORODIHHUXNKW-UHFFFAOYSA-N 1 2 337.471 3.869 50 0 EHAALO Fc1ccc([C@H]2c3[nH]c[nH+]c3CCN2Cc2ccco2)c(Cl)c1 ZINC000067965627 215261743 /nfs/dbraw/zinc/26/17/43/215261743.db2.gz ZGRCWNRKSHYECQ-KRWDZBQOSA-N 1 2 331.778 3.943 50 0 EHAALO c1nc(C[N@H+](Cc2cccnc2)C[C@@H]2CCCO2)oc1-c1ccccc1 ZINC000069173234 215367432 /nfs/dbraw/zinc/36/74/32/215367432.db2.gz CNSPHDHHJRYQGY-IBGZPJMESA-N 1 2 349.434 3.918 50 0 EHAALO c1nc(C[N@@H+](Cc2cccnc2)C[C@@H]2CCCO2)oc1-c1ccccc1 ZINC000069173234 215367434 /nfs/dbraw/zinc/36/74/34/215367434.db2.gz CNSPHDHHJRYQGY-IBGZPJMESA-N 1 2 349.434 3.918 50 0 EHAALO C[C@@H](CNc1ncnc2sc3c(c21)CCCCC3)Cn1cc[nH+]c1 ZINC000040139248 213271466 /nfs/dbraw/zinc/27/14/66/213271466.db2.gz QARXIPPLBKVUGF-ZDUSSCGKSA-N 1 2 341.484 3.905 50 0 EHAALO Cc1nn2c(nc(-c3ccccc3)cc2NCCCn2cc[nH+]c2)c1C ZINC000072424780 216214628 /nfs/dbraw/zinc/21/46/28/216214628.db2.gz MEYVRQIXASEPGZ-UHFFFAOYSA-N 1 2 346.438 3.712 50 0 EHAALO CC(C)[C@@H](Nc1cc(-c2ccccc2)nc2ccnn21)c1[nH+]ccn1C ZINC000072479011 216258265 /nfs/dbraw/zinc/25/82/65/216258265.db2.gz FAYWRVMRBOSLCX-LJQANCHMSA-N 1 2 346.438 3.939 50 0 EHAALO Nc1cc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc[nH+]1 ZINC000191474076 239133829 /nfs/dbraw/zinc/13/38/29/239133829.db2.gz ZMVFBVWTHWNZMN-HNNXBMFYSA-N 1 2 338.238 3.544 50 0 EHAALO CCCc1sc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1CC ZINC000023606777 212383935 /nfs/dbraw/zinc/38/39/35/212383935.db2.gz QILPEPWFEYVPTB-UHFFFAOYSA-N 1 2 349.525 3.960 50 0 EHAALO CCCc1sc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1CC ZINC000023606777 212383937 /nfs/dbraw/zinc/38/39/37/212383937.db2.gz QILPEPWFEYVPTB-UHFFFAOYSA-N 1 2 349.525 3.960 50 0 EHAALO CCCN1c2ccccc2[N@@H+](CC(=O)c2ccc(Cl)cc2)C1=N ZINC000023634066 212386690 /nfs/dbraw/zinc/38/66/90/212386690.db2.gz UJDWHTUENPHQKB-UHFFFAOYSA-N 1 2 327.815 3.869 50 0 EHAALO CCCN1c2ccccc2[N@H+](CC(=O)c2ccc(Cl)cc2)C1=N ZINC000023634066 212386693 /nfs/dbraw/zinc/38/66/93/212386693.db2.gz UJDWHTUENPHQKB-UHFFFAOYSA-N 1 2 327.815 3.869 50 0 EHAALO O=C(CCc1c[nH+]c[nH]1)NCc1ccc(Sc2ccccc2)cc1 ZINC000193626355 240242523 /nfs/dbraw/zinc/24/25/23/240242523.db2.gz CGPQQMYTQPMKND-UHFFFAOYSA-N 1 2 337.448 3.810 50 0 EHAALO O=C(CCc1c[nH]c[nH+]1)NCc1ccc(Sc2ccccc2)cc1 ZINC000193626355 240242530 /nfs/dbraw/zinc/24/25/30/240242530.db2.gz CGPQQMYTQPMKND-UHFFFAOYSA-N 1 2 337.448 3.810 50 0 EHAALO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022228012 212282953 /nfs/dbraw/zinc/28/29/53/212282953.db2.gz XFHZKPZIRWGAGR-QKLQHJQFSA-N 1 2 338.451 3.784 50 0 EHAALO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022228012 212282955 /nfs/dbraw/zinc/28/29/55/212282955.db2.gz XFHZKPZIRWGAGR-QKLQHJQFSA-N 1 2 338.451 3.784 50 0 EHAALO CCc1ncc(C[N@H+](Cc2ccc(OC)cc2)Cc2ccccn2)cn1 ZINC000215831362 241149728 /nfs/dbraw/zinc/14/97/28/241149728.db2.gz LGSMRKYSOOSTGZ-UHFFFAOYSA-N 1 2 348.450 3.645 50 0 EHAALO CCc1ncc(C[N@@H+](Cc2ccc(OC)cc2)Cc2ccccn2)cn1 ZINC000215831362 241149731 /nfs/dbraw/zinc/14/97/31/241149731.db2.gz LGSMRKYSOOSTGZ-UHFFFAOYSA-N 1 2 348.450 3.645 50 0 EHAALO Fc1cc(-c2ccc(C[NH+]3CCOCC3)cn2)cc(C(F)(F)F)c1 ZINC000215828536 241150955 /nfs/dbraw/zinc/15/09/55/241150955.db2.gz DWXQPLVDFQODAK-UHFFFAOYSA-N 1 2 340.320 3.739 50 0 EHAALO c1cc(C2CC[NH+](Cc3cnc(C4CCCCC4)nc3)CC2)[nH]n1 ZINC000215429349 241125711 /nfs/dbraw/zinc/12/57/11/241125711.db2.gz BLKZMVXLOPDCPN-UHFFFAOYSA-N 1 2 325.460 3.627 50 0 EHAALO CC[C@H](c1ccccn1)[N@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000244691032 243058224 /nfs/dbraw/zinc/05/82/24/243058224.db2.gz JBKBEHWMLDMTCE-MRXNPFEDSA-N 1 2 326.375 3.854 50 0 EHAALO CC[C@H](c1ccccn1)[N@@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000244691032 243058229 /nfs/dbraw/zinc/05/82/29/243058229.db2.gz JBKBEHWMLDMTCE-MRXNPFEDSA-N 1 2 326.375 3.854 50 0 EHAALO Cc1ccccc1-n1cc(CN(C)Cc2c[nH+]cn2CC(C)C)cn1 ZINC000244741997 243074133 /nfs/dbraw/zinc/07/41/33/243074133.db2.gz OAHLSLORAIVVJF-UHFFFAOYSA-N 1 2 337.471 3.665 50 0 EHAALO CCc1ccccc1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000020213663 212112493 /nfs/dbraw/zinc/11/24/93/212112493.db2.gz LZBULPNNBUDECK-UHFFFAOYSA-N 1 2 341.430 3.738 50 0 EHAALO O=C(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000019642016 212052796 /nfs/dbraw/zinc/05/27/96/212052796.db2.gz BQYJRVUFRKAHQR-SFHVURJKSA-N 1 2 329.827 3.639 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000091621212 218033604 /nfs/dbraw/zinc/03/36/04/218033604.db2.gz AYVSOPOILKVCPP-INIZCTEOSA-N 1 2 325.456 3.587 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000091713453 218053241 /nfs/dbraw/zinc/05/32/41/218053241.db2.gz LHHGOYPNXKIAEZ-GFCCVEGCSA-N 1 2 335.810 3.715 50 0 EHAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000095371248 218303987 /nfs/dbraw/zinc/30/39/87/218303987.db2.gz HFNKNIOBSILUNZ-AWEZNQCLSA-N 1 2 333.382 3.762 50 0 EHAALO CN(CCc1[nH]c2ccc(Cl)cc2[nH+]1)c1nnc(C2CCC2)o1 ZINC000095387708 218319337 /nfs/dbraw/zinc/31/93/37/218319337.db2.gz SYWNLBPGGOJPDT-UHFFFAOYSA-N 1 2 331.807 3.546 50 0 EHAALO C[C@@H]([NH2+][C@H](c1cccnc1)c1ccc(F)c(F)c1)c1cnn(C)c1 ZINC000095421796 218364148 /nfs/dbraw/zinc/36/41/48/218364148.db2.gz IBPQXGNYCPLDBI-XIKOKIGWSA-N 1 2 328.366 3.534 50 0 EHAALO Cc1[nH+]cc(CNc2ccc(C)c(C(=O)N(C)C)c2)n1-c1ccccc1 ZINC000095429323 218371956 /nfs/dbraw/zinc/37/19/56/218371956.db2.gz WOVTVFPFERIBRS-UHFFFAOYSA-N 1 2 348.450 3.803 50 0 EHAALO Cc1cccc2[nH+]c(C[S@](=O)[C@@H](C)c3ncc(C(C)(C)C)o3)cn21 ZINC000097370454 219015748 /nfs/dbraw/zinc/01/57/48/219015748.db2.gz OSTNKECIHBNATK-RKNYENMMSA-N 1 2 345.468 3.938 50 0 EHAALO C[C@H]1CCN(C(=O)Nc2nc(C3CCC3)cs2)C[C@H]1n1cc[nH+]c1 ZINC000283105981 258012695 /nfs/dbraw/zinc/01/26/95/258012695.db2.gz WXTWLVROSPRQKH-SWLSCSKDSA-N 1 2 345.472 3.722 50 0 EHAALO COc1cc(SC)c(OC)cc1C[N@H+](C)Cc1c(C)noc1C ZINC000216010395 258072399 /nfs/dbraw/zinc/07/23/99/258072399.db2.gz HWCURWVXEJYASQ-UHFFFAOYSA-N 1 2 336.457 3.663 50 0 EHAALO COc1cc(SC)c(OC)cc1C[N@@H+](C)Cc1c(C)noc1C ZINC000216010395 258072400 /nfs/dbraw/zinc/07/24/00/258072400.db2.gz HWCURWVXEJYASQ-UHFFFAOYSA-N 1 2 336.457 3.663 50 0 EHAALO CCOc1ccccc1N1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000055291828 132194442 /nfs/dbraw/zinc/19/44/42/132194442.db2.gz JGDNEHSYZFPDPK-UHFFFAOYSA-N 1 2 332.394 3.686 50 0 EHAALO CCCc1[nH+]c2ccccc2n1C[C@H](O)COC[C@H]1CC=CCC1 ZINC000000243003 563265422 /nfs/dbraw/zinc/26/54/22/563265422.db2.gz UFMCELMQZANVGK-IRXDYDNUSA-N 1 2 328.456 3.723 50 0 EHAALO Cc1c2ccccc2oc1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000071908170 563570827 /nfs/dbraw/zinc/57/08/27/563570827.db2.gz GFMVXMOPJFWULZ-MRXNPFEDSA-N 1 2 349.434 3.655 50 0 EHAALO C[C@@H](c1ccc(Cl)cc1)N(C(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000071913566 563600551 /nfs/dbraw/zinc/60/05/51/563600551.db2.gz BRQLNMDCPIFPLD-AWEZNQCLSA-N 1 2 346.862 3.862 50 0 EHAALO Cc1cccn2cc(CCNC(=O)c3cccc(C(F)(F)F)c3)[nH+]c12 ZINC000002960962 563622405 /nfs/dbraw/zinc/62/24/05/563622405.db2.gz OYMUDEBLEIWVCB-UHFFFAOYSA-N 1 2 347.340 3.634 50 0 EHAALO C[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccc(Cl)cc1 ZINC000015479403 563784994 /nfs/dbraw/zinc/78/49/94/563784994.db2.gz BNMMRSFNFFOIHG-UHFFFAOYSA-N 1 2 335.835 3.696 50 0 EHAALO C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccc(Cl)cc1 ZINC000015479403 563784997 /nfs/dbraw/zinc/78/49/97/563784997.db2.gz BNMMRSFNFFOIHG-UHFFFAOYSA-N 1 2 335.835 3.696 50 0 EHAALO O=C(Cc1cn2ccccc2[nH+]1)Nc1nc2ccc(Cl)cc2s1 ZINC000032903336 563789159 /nfs/dbraw/zinc/78/91/59/563789159.db2.gz IZOYVYHYMTVKGC-UHFFFAOYSA-N 1 2 342.811 3.779 50 0 EHAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2N1CCCCC1 ZINC000020662162 563859662 /nfs/dbraw/zinc/85/96/62/563859662.db2.gz UFDSYCCUBBVJRS-UHFFFAOYSA-N 1 2 327.819 3.768 50 0 EHAALO Cc1cc(C(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)c(C)n1C(C)C ZINC000027543311 563896691 /nfs/dbraw/zinc/89/66/91/563896691.db2.gz YHWVCIDYXIJKRX-UHFFFAOYSA-N 1 2 342.439 3.729 50 0 EHAALO Cc1cc(C(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c(C)n1C(C)C ZINC000027543311 563896692 /nfs/dbraw/zinc/89/66/92/563896692.db2.gz YHWVCIDYXIJKRX-UHFFFAOYSA-N 1 2 342.439 3.729 50 0 EHAALO O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000028788007 563904077 /nfs/dbraw/zinc/90/40/77/563904077.db2.gz GESDUJFBAIBEGD-SFHVURJKSA-N 1 2 329.403 3.990 50 0 EHAALO O=C1c2cccc3cccc(c23)N1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000028788007 563904079 /nfs/dbraw/zinc/90/40/79/563904079.db2.gz GESDUJFBAIBEGD-SFHVURJKSA-N 1 2 329.403 3.990 50 0 EHAALO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc(=O)c2sccc2[nH]1 ZINC000030005545 563909174 /nfs/dbraw/zinc/90/91/74/563909174.db2.gz XPBMANWMAUCSTO-NSHDSACASA-N 1 2 339.420 3.924 50 0 EHAALO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc(=O)c2sccc2[nH]1 ZINC000030005545 563909175 /nfs/dbraw/zinc/90/91/75/563909175.db2.gz XPBMANWMAUCSTO-NSHDSACASA-N 1 2 339.420 3.924 50 0 EHAALO O=S(=O)(Nc1cc[nH+]cc1)c1c(Cl)cccc1C(F)(F)F ZINC000072292631 563910254 /nfs/dbraw/zinc/91/02/54/563910254.db2.gz NXDWZDVBMZQEJM-UHFFFAOYSA-N 1 2 336.722 3.555 50 0 EHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc3ccccc3n2)c1C ZINC000058178446 563939187 /nfs/dbraw/zinc/93/91/87/563939187.db2.gz BJIWDTAVZQZFNR-UHFFFAOYSA-N 1 2 335.407 3.527 50 0 EHAALO Cc1ncsc1C[N@@H+]1CCCC[C@@H]1c1nncn1-c1ccccc1 ZINC000097941593 563951038 /nfs/dbraw/zinc/95/10/38/563951038.db2.gz NYJLBLYSDOXLBG-MRXNPFEDSA-N 1 2 339.468 3.759 50 0 EHAALO Cc1ncsc1C[N@H+]1CCCC[C@@H]1c1nncn1-c1ccccc1 ZINC000097941593 563951039 /nfs/dbraw/zinc/95/10/39/563951039.db2.gz NYJLBLYSDOXLBG-MRXNPFEDSA-N 1 2 339.468 3.759 50 0 EHAALO C[C@H](NC(=O)CCc1ccsc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432074 563952636 /nfs/dbraw/zinc/95/26/36/563952636.db2.gz CSFYUUCJJKJWOQ-AWEZNQCLSA-N 1 2 325.437 3.744 50 0 EHAALO CC(=O)Nc1ccc(-c2[nH+]ccn2Cc2cn3ccc(C)cc3n2)cc1 ZINC000065374433 563958713 /nfs/dbraw/zinc/95/87/13/563958713.db2.gz KSBCWXAIOSQJHP-UHFFFAOYSA-N 1 2 345.406 3.513 50 0 EHAALO Cc1cc(NCCCc2nnc(N)s2)[nH+]c2cc(Cl)ccc12 ZINC000065458679 563961172 /nfs/dbraw/zinc/96/11/72/563961172.db2.gz MPZDPJMSFXWTLR-UHFFFAOYSA-N 1 2 333.848 3.675 50 0 EHAALO Cc1c[nH+]c(C)nc1N1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000067561044 563962340 /nfs/dbraw/zinc/96/23/40/563962340.db2.gz CYBWVJMLBQWPFA-UHFFFAOYSA-N 1 2 340.814 3.965 50 0 EHAALO Cc1cc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)[nH+]c2ccccc12 ZINC000077377854 563969270 /nfs/dbraw/zinc/96/92/70/563969270.db2.gz WFFOHQMZNSNOBB-QFIPXVFZSA-N 1 2 349.478 3.915 50 0 EHAALO Cc1cc(C)c2nc(C)cc(C(=O)NCC3(Cn4cc[nH+]c4)CC3)c2c1 ZINC000077391435 563969377 /nfs/dbraw/zinc/96/93/77/563969377.db2.gz QDXDXNIEUJTRSZ-UHFFFAOYSA-N 1 2 348.450 3.567 50 0 EHAALO Cc1cccc(-c2nc(Cn3cc[nH+]c3[C@@H]3CCOC3)cs2)c1 ZINC000077469833 563969849 /nfs/dbraw/zinc/96/98/49/563969849.db2.gz KXXDZEGVSQUAMN-OAHLLOKOSA-N 1 2 325.437 3.867 50 0 EHAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2ncccc2c1 ZINC000095498963 563977050 /nfs/dbraw/zinc/97/70/50/563977050.db2.gz DWYPHHJYQRGVKC-QGZVFWFLSA-N 1 2 337.427 3.668 50 0 EHAALO Cc1ccc2nc(C)c(C)c(C(=O)NCC3(Cn4cc[nH+]c4)CC3)c2c1 ZINC000095522261 563977422 /nfs/dbraw/zinc/97/74/22/563977422.db2.gz SAYIIRYQHUQDJR-UHFFFAOYSA-N 1 2 348.450 3.567 50 0 EHAALO CSc1ccc(/C=C2\SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000033395109 563983558 /nfs/dbraw/zinc/98/35/58/563983558.db2.gz IKCUGBWEQJRURS-PTNGSMBKSA-N 1 2 348.493 3.888 50 0 EHAALO CC(=O)c1ccc(N2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000023675094 563988580 /nfs/dbraw/zinc/98/85/80/563988580.db2.gz AILWYSYIXBZHNO-OAHLLOKOSA-N 1 2 326.415 3.912 50 0 EHAALO Clc1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c2ncccc12 ZINC000065593862 563998656 /nfs/dbraw/zinc/99/86/56/563998656.db2.gz YILWOSXKGRJVFM-OAHLLOKOSA-N 1 2 345.855 3.918 50 0 EHAALO Clc1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c2ncccc12 ZINC000065593862 563998657 /nfs/dbraw/zinc/99/86/57/563998657.db2.gz YILWOSXKGRJVFM-OAHLLOKOSA-N 1 2 345.855 3.918 50 0 EHAALO COc1ncccc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000192494535 564002041 /nfs/dbraw/zinc/00/20/41/564002041.db2.gz JBGQINYJMCVKKH-UHFFFAOYSA-N 1 2 348.406 3.542 50 0 EHAALO O=C(C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccco2)no1)c1cccs1 ZINC000177397743 564013887 /nfs/dbraw/zinc/01/38/87/564013887.db2.gz NRWUZFFLAHRHFF-GFCCVEGCSA-N 1 2 343.408 3.629 50 0 EHAALO O=C(C[C@H]1CCC[N@H+]1Cc1nc(-c2ccco2)no1)c1cccs1 ZINC000177397743 564013888 /nfs/dbraw/zinc/01/38/88/564013888.db2.gz NRWUZFFLAHRHFF-GFCCVEGCSA-N 1 2 343.408 3.629 50 0 EHAALO CC(C)N(C)C(=O)N[C@@H](Cc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000583651683 564018344 /nfs/dbraw/zinc/01/83/44/564018344.db2.gz RBDDWIBJWRWEBA-AWEZNQCLSA-N 1 2 336.386 3.612 50 0 EHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccnc(C2CC2)c1 ZINC000341354696 564023106 /nfs/dbraw/zinc/02/31/06/564023106.db2.gz BIHYICZVULCGAX-UHFFFAOYSA-N 1 2 342.468 3.654 50 0 EHAALO O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1-n1cc[nH+]c1 ZINC000045860015 564028727 /nfs/dbraw/zinc/02/87/27/564028727.db2.gz REHKGILQFUVGDV-UHFFFAOYSA-N 1 2 330.391 3.925 50 0 EHAALO O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000115353020 564033100 /nfs/dbraw/zinc/03/31/00/564033100.db2.gz JBCYNVDHTKTFIV-SFHVURJKSA-N 1 2 333.391 3.719 50 0 EHAALO CC1=NN(c2ccc(Cl)cc2)C(=O)C1=C[NH2+]Nc1cccc(C)c1 ZINC000095471503 564036048 /nfs/dbraw/zinc/03/60/48/564036048.db2.gz CCBGPFUIRHMUMJ-BOPFTXTBSA-N 1 2 340.814 3.872 50 0 EHAALO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(-c2ccccc2Cl)on1 ZINC000239539265 564051662 /nfs/dbraw/zinc/05/16/62/564051662.db2.gz AVZWGMLXNOEBOB-UHFFFAOYSA-N 1 2 338.754 3.895 50 0 EHAALO Cc1cc2ccccc2n1CC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025173983 564053729 /nfs/dbraw/zinc/05/37/29/564053729.db2.gz CVIDDWGTTZRRBT-UHFFFAOYSA-N 1 2 344.418 3.833 50 0 EHAALO Cc1c[nH]c([C@H](C)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)[nH+]1 ZINC000534637004 564061360 /nfs/dbraw/zinc/06/13/60/564061360.db2.gz GKJQEFWVZJGBDW-HNNXBMFYSA-N 1 2 336.439 3.549 50 0 EHAALO C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)CC(F)(F)F)c1 ZINC000083864142 564063992 /nfs/dbraw/zinc/06/39/92/564063992.db2.gz JFQMQYSQBCKAHH-UHFFFAOYSA-N 1 2 343.374 3.666 50 0 EHAALO C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)CC(F)(F)F)c1 ZINC000083864142 564063991 /nfs/dbraw/zinc/06/39/91/564063991.db2.gz JFQMQYSQBCKAHH-UHFFFAOYSA-N 1 2 343.374 3.666 50 0 EHAALO C[C@@H](C1CC1)N(C(=O)NCc1ccc[nH+]c1N1CCCCC1)C1CC1 ZINC000073882663 564066049 /nfs/dbraw/zinc/06/60/49/564066049.db2.gz ICAAATBOXKOECF-HNNXBMFYSA-N 1 2 342.487 3.544 50 0 EHAALO CCS[C@H](C)c1noc(C[N@H+](CC)Cc2ccc3c(c2)OCO3)n1 ZINC000084777504 564070171 /nfs/dbraw/zinc/07/01/71/564070171.db2.gz GBAZOSAOIHAHCY-GFCCVEGCSA-N 1 2 349.456 3.635 50 0 EHAALO CCS[C@H](C)c1noc(C[N@@H+](CC)Cc2ccc3c(c2)OCO3)n1 ZINC000084777504 564070172 /nfs/dbraw/zinc/07/01/72/564070172.db2.gz GBAZOSAOIHAHCY-GFCCVEGCSA-N 1 2 349.456 3.635 50 0 EHAALO O=C(NC1(Cc2ccccc2)CCCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000185844819 564074879 /nfs/dbraw/zinc/07/48/79/564074879.db2.gz VBJKWVRENOAHLD-GOSISDBHSA-N 1 2 337.467 3.507 50 0 EHAALO Cc1ncccc1NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000083575594 564086275 /nfs/dbraw/zinc/08/62/75/564086275.db2.gz OHCBMGGQYMQPFT-UHFFFAOYSA-N 1 2 349.438 3.541 50 0 EHAALO Cc1c(NC(=O)C[N@@H+]2CCc3sccc3C2)sc2c1CCCC2 ZINC000089568179 564092907 /nfs/dbraw/zinc/09/29/07/564092907.db2.gz VZLCLOWHWNIRSS-UHFFFAOYSA-N 1 2 346.521 3.994 50 0 EHAALO Cc1c(NC(=O)C[N@H+]2CCc3sccc3C2)sc2c1CCCC2 ZINC000089568179 564092908 /nfs/dbraw/zinc/09/29/08/564092908.db2.gz VZLCLOWHWNIRSS-UHFFFAOYSA-N 1 2 346.521 3.994 50 0 EHAALO Cn1cc[nH+]c1-c1ccc(C(=O)NCCCOC2CCCCC2)cc1 ZINC000426479637 564093855 /nfs/dbraw/zinc/09/38/55/564093855.db2.gz CXKFWXOVCOWGQS-UHFFFAOYSA-N 1 2 341.455 3.556 50 0 EHAALO CCC(C)(C)NC(=O)C[N@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000065491569 564106473 /nfs/dbraw/zinc/10/64/73/564106473.db2.gz JGDAYYXHIOOXHJ-LJQANCHMSA-N 1 2 343.446 3.547 50 0 EHAALO CCC(C)(C)NC(=O)C[N@@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000065491569 564106474 /nfs/dbraw/zinc/10/64/74/564106474.db2.gz JGDAYYXHIOOXHJ-LJQANCHMSA-N 1 2 343.446 3.547 50 0 EHAALO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)n2)cc1 ZINC000065592845 564108025 /nfs/dbraw/zinc/10/80/25/564108025.db2.gz LVZJWXWMPLLYMM-KRWDZBQOSA-N 1 2 338.411 3.801 50 0 EHAALO CCOc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)n2)cc1 ZINC000065592845 564108026 /nfs/dbraw/zinc/10/80/26/564108026.db2.gz LVZJWXWMPLLYMM-KRWDZBQOSA-N 1 2 338.411 3.801 50 0 EHAALO O=c1cc(C[NH2+]C(c2ccccc2)c2ccccc2)nc2sccn21 ZINC000007448125 564108607 /nfs/dbraw/zinc/10/86/07/564108607.db2.gz WEZYFVKFYSIMRN-UHFFFAOYSA-N 1 2 347.443 3.635 50 0 EHAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C1 ZINC000016916232 564114338 /nfs/dbraw/zinc/11/43/38/564114338.db2.gz DAHDVYVNRMCSQX-UHFFFAOYSA-N 1 2 342.251 3.690 50 0 EHAALO C[N@H+]1CCc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C1 ZINC000016916232 564114339 /nfs/dbraw/zinc/11/43/39/564114339.db2.gz DAHDVYVNRMCSQX-UHFFFAOYSA-N 1 2 342.251 3.690 50 0 EHAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)CC(C)C)cc2)[nH+]1 ZINC000017013008 564116152 /nfs/dbraw/zinc/11/61/52/564116152.db2.gz ZMLQJUWBHUBISG-UHFFFAOYSA-N 1 2 327.432 3.579 50 0 EHAALO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1nc2ccccc2o1 ZINC000007696446 564121997 /nfs/dbraw/zinc/12/19/97/564121997.db2.gz MRYBAMISCWRRNY-UHFFFAOYSA-N 1 2 337.423 3.987 50 0 EHAALO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1nc2ccccc2o1 ZINC000007696446 564121998 /nfs/dbraw/zinc/12/19/98/564121998.db2.gz MRYBAMISCWRRNY-UHFFFAOYSA-N 1 2 337.423 3.987 50 0 EHAALO CC(C)CC(=O)Nc1ccc(N[C@H](c2[nH]cc[nH+]2)c2cccnc2)cc1 ZINC000195091250 564122718 /nfs/dbraw/zinc/12/27/18/564122718.db2.gz LWNYGVBNSNTZTC-IBGZPJMESA-N 1 2 349.438 3.991 50 0 EHAALO CC(C)CC(=O)Nc1ccc(N[C@@H](c2[nH]cc[nH+]2)c2cccnc2)cc1 ZINC000195091262 564122734 /nfs/dbraw/zinc/12/27/34/564122734.db2.gz LWNYGVBNSNTZTC-LJQANCHMSA-N 1 2 349.438 3.991 50 0 EHAALO Fc1ccc([C@H]([NH2+][C@H]2CCOc3ccccc32)c2cnccn2)cc1 ZINC000253431957 564131783 /nfs/dbraw/zinc/13/17/83/564131783.db2.gz YZAVOAXGJWWUBA-PXNSSMCTSA-N 1 2 335.382 3.819 50 0 EHAALO Cc1ccc(-c2ncc(C[N@@H+]3CCO[C@H](c4ccco4)C3)s2)o1 ZINC000093841816 564137993 /nfs/dbraw/zinc/13/79/93/564137993.db2.gz ULHVFGJGZVTVQL-INIZCTEOSA-N 1 2 330.409 3.878 50 0 EHAALO Cc1ccc(-c2ncc(C[N@H+]3CCO[C@H](c4ccco4)C3)s2)o1 ZINC000093841816 564137994 /nfs/dbraw/zinc/13/79/94/564137994.db2.gz ULHVFGJGZVTVQL-INIZCTEOSA-N 1 2 330.409 3.878 50 0 EHAALO CC(C)n1cc(CCCC(=O)NCCc2c[nH+]c[nH]2)c2ccccc21 ZINC000079189066 564138023 /nfs/dbraw/zinc/13/80/23/564138023.db2.gz HDCFBYPAHWDOON-UHFFFAOYSA-N 1 2 338.455 3.627 50 0 biogenic EHAALO CC(C)n1cc(CCCC(=O)NCCc2c[nH]c[nH+]2)c2ccccc21 ZINC000079189066 564138024 /nfs/dbraw/zinc/13/80/24/564138024.db2.gz HDCFBYPAHWDOON-UHFFFAOYSA-N 1 2 338.455 3.627 50 0 biogenic EHAALO C[N@H+](Cc1csc(-c2ccoc2)n1)Cc1ccc2c(c1)OCCO2 ZINC000095953624 564142412 /nfs/dbraw/zinc/14/24/12/564142412.db2.gz WUBXJILMODYOLJ-UHFFFAOYSA-N 1 2 342.420 3.806 50 0 EHAALO C[N@@H+](Cc1csc(-c2ccoc2)n1)Cc1ccc2c(c1)OCCO2 ZINC000095953624 564142413 /nfs/dbraw/zinc/14/24/13/564142413.db2.gz WUBXJILMODYOLJ-UHFFFAOYSA-N 1 2 342.420 3.806 50 0 EHAALO COc1ccccc1OCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000096007483 564144576 /nfs/dbraw/zinc/14/45/76/564144576.db2.gz HEZVEBFSEOFVDL-UHFFFAOYSA-N 1 2 337.301 3.538 50 0 EHAALO COC(=O)C[C@H](c1ccc(Cl)cc1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096230872 564146067 /nfs/dbraw/zinc/14/60/67/564146067.db2.gz SQKHERQYLSGTGB-LLVKDONJSA-N 1 2 348.811 3.745 50 0 EHAALO Fc1ccc(OC2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000096406609 564147343 /nfs/dbraw/zinc/14/73/43/564147343.db2.gz ULGQAMMVSDOUMQ-UHFFFAOYSA-N 1 2 343.358 3.512 50 0 EHAALO Clc1ccc(-c2nc(CN3CCn4cc[nH+]c4C3)cs2)cc1 ZINC000097201115 564149543 /nfs/dbraw/zinc/14/95/43/564149543.db2.gz SIICKMARZLTMQN-UHFFFAOYSA-N 1 2 330.844 3.676 50 0 EHAALO Cc1[nH+]c2n(c1C)CCN(Cc1ncc(-c3ccc(Cl)cc3)o1)C2 ZINC000097201193 564149545 /nfs/dbraw/zinc/14/95/45/564149545.db2.gz SFQJECBYGXPMGZ-UHFFFAOYSA-N 1 2 342.830 3.824 50 0 EHAALO Cc1ccc(C)c(NC(=S)N2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000003055340 564154789 /nfs/dbraw/zinc/15/47/89/564154789.db2.gz REZPDFVJMIEFGM-UHFFFAOYSA-N 1 2 325.481 3.776 50 0 EHAALO Cc1ccc(C)c(NC(=S)N2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000003055340 564154790 /nfs/dbraw/zinc/15/47/90/564154790.db2.gz REZPDFVJMIEFGM-UHFFFAOYSA-N 1 2 325.481 3.776 50 0 EHAALO CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000032419969 564161428 /nfs/dbraw/zinc/16/14/28/564161428.db2.gz FHRCXUZJKBSDNZ-HOTGVXAUSA-N 1 2 326.444 3.602 50 0 EHAALO C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007986423 564161862 /nfs/dbraw/zinc/16/18/62/564161862.db2.gz PBDHGDUYSNMYGP-HNNXBMFYSA-N 1 2 344.418 3.774 50 0 EHAALO OCc1ccc2c(c1)C[N@@H+](Cc1[nH]c3ccccc3c1Cl)CCO2 ZINC000670470859 564164960 /nfs/dbraw/zinc/16/49/60/564164960.db2.gz JSAVRYHYHHHFMM-UHFFFAOYSA-N 1 2 342.826 3.708 50 0 EHAALO OCc1ccc2c(c1)C[N@H+](Cc1[nH]c3ccccc3c1Cl)CCO2 ZINC000670470859 564164961 /nfs/dbraw/zinc/16/49/61/564164961.db2.gz JSAVRYHYHHHFMM-UHFFFAOYSA-N 1 2 342.826 3.708 50 0 EHAALO Cn1cc[nH+]c1[C@H](Nc1ncnc2ccsc21)c1cccc(F)c1 ZINC000008705082 564166437 /nfs/dbraw/zinc/16/64/37/564166437.db2.gz BDZUJCRARDNYGY-CQSZACIVSA-N 1 2 339.399 3.765 50 0 EHAALO C[C@@H](Sc1ccccc1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000245237573 564168801 /nfs/dbraw/zinc/16/88/01/564168801.db2.gz OIFMVZZTGYBKFY-APWZRJJASA-N 1 2 340.492 3.683 50 0 EHAALO C[C@@H](Sc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000245237573 564168802 /nfs/dbraw/zinc/16/88/02/564168802.db2.gz OIFMVZZTGYBKFY-APWZRJJASA-N 1 2 340.492 3.683 50 0 EHAALO CC(C)c1[nH+]c2c(n1C)CCN(c1ccnc(-c3ccccc3)n1)C2 ZINC000069776683 564172171 /nfs/dbraw/zinc/17/21/71/564172171.db2.gz WBECJZFCOMRPMY-UHFFFAOYSA-N 1 2 333.439 3.563 50 0 EHAALO Cc1ccc2cc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c(C)nc2c1 ZINC000069899562 564172712 /nfs/dbraw/zinc/17/27/12/564172712.db2.gz JXMJWKIQPVKYQJ-QGZVFWFLSA-N 1 2 334.423 3.525 50 0 EHAALO c1csc(-c2nc(C[N@H+]3CCCC[C@H]3Cn3cncn3)cs2)c1 ZINC000071876197 564176267 /nfs/dbraw/zinc/17/62/67/564176267.db2.gz ODUGJNGODUBIOT-AWEZNQCLSA-N 1 2 345.497 3.518 50 0 EHAALO c1csc(-c2nc(C[N@@H+]3CCCC[C@H]3Cn3cncn3)cs2)c1 ZINC000071876197 564176268 /nfs/dbraw/zinc/17/62/68/564176268.db2.gz ODUGJNGODUBIOT-AWEZNQCLSA-N 1 2 345.497 3.518 50 0 EHAALO CC(C)c1nc(C2([NH2+]C[C@H](O)c3ccc(Cl)cc3)CCCC2)no1 ZINC000174242452 1033850228 /nfs/dbraw/zinc/85/02/28/1033850228.db2.gz QGNJCNLNOCGZMQ-HNNXBMFYSA-N 1 2 349.862 3.939 50 0 EHAALO Fc1ccc(-c2ccc(C[N@@H+]3CCOC[C@@]34CCOC4)s2)cc1 ZINC000195015810 1035494375 /nfs/dbraw/zinc/49/43/75/1035494375.db2.gz HKBJILFEWBXERM-SFHVURJKSA-N 1 2 333.428 3.546 50 0 EHAALO Fc1ccc(-c2ccc(C[N@H+]3CCOC[C@@]34CCOC4)s2)cc1 ZINC000195015810 1035494381 /nfs/dbraw/zinc/49/43/81/1035494381.db2.gz HKBJILFEWBXERM-SFHVURJKSA-N 1 2 333.428 3.546 50 0 EHAALO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4cc[nH]n4)C3)ccc2c1 ZINC000011817351 1129001451 /nfs/dbraw/zinc/00/14/51/1129001451.db2.gz ZNLXRAUIEXRFJQ-SFHVURJKSA-N 1 2 349.434 3.666 50 0 EHAALO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4cc[nH]n4)C3)ccc2c1 ZINC000011817351 1129001454 /nfs/dbraw/zinc/00/14/54/1129001454.db2.gz ZNLXRAUIEXRFJQ-SFHVURJKSA-N 1 2 349.434 3.666 50 0 EHAALO O=C(NC1CC1)[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000057547509 1129907128 /nfs/dbraw/zinc/90/71/28/1129907128.db2.gz VGBRSHXZISNTSW-QGZVFWFLSA-N 1 2 332.806 3.589 50 0 EHAALO CC1(C)C[C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)c2ccccc21 ZINC000178709362 1130721293 /nfs/dbraw/zinc/72/12/93/1130721293.db2.gz OFHHIDJVCLTAEB-QGZVFWFLSA-N 1 2 334.423 3.556 50 0 EHAALO Cc1c[nH+]c([C@@H]2CCN(C(=O)CC(C)C)C2)n1Cc1ccc(F)cc1 ZINC000581815474 1132372010 /nfs/dbraw/zinc/37/20/10/1132372010.db2.gz DELUYYPZWBPNJH-QGZVFWFLSA-N 1 2 343.446 3.741 50 0 EHAALO CCS[C@@H]1CCCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000585131624 1137021078 /nfs/dbraw/zinc/02/10/78/1137021078.db2.gz BANBTLRGXZGWED-OLZOCXBDSA-N 1 2 349.422 3.511 50 0 EHAALO CCCNC(=O)c1cccc(C[NH2+]Cc2csc(C(C)(C)C)n2)c1 ZINC000053019533 214159425 /nfs/dbraw/zinc/15/94/25/214159425.db2.gz OUMXTOKOLAJZKK-UHFFFAOYSA-N 1 2 345.512 3.870 50 0 EHAALO C[N@@H+](Cc1ccc(F)c(F)c1)Cn1ncnc1-c1ccccc1Cl ZINC000054453932 214238813 /nfs/dbraw/zinc/23/88/13/214238813.db2.gz ZJJOMODDGKDQIB-UHFFFAOYSA-N 1 2 348.784 3.966 50 0 EHAALO C[N@H+](Cc1ccc(F)c(F)c1)Cn1ncnc1-c1ccccc1Cl ZINC000054453932 214238816 /nfs/dbraw/zinc/23/88/16/214238816.db2.gz ZJJOMODDGKDQIB-UHFFFAOYSA-N 1 2 348.784 3.966 50 0 EHAALO CCn1nc(C)c(C[N@H+](CC)Cc2nc3c(s2)CCCC3)c1C ZINC000055131988 214277600 /nfs/dbraw/zinc/27/76/00/214277600.db2.gz YIUDHEMJTCKZMZ-UHFFFAOYSA-N 1 2 332.517 3.877 50 0 EHAALO CCn1nc(C)c(C[N@@H+](CC)Cc2nc3c(s2)CCCC3)c1C ZINC000055131988 214277604 /nfs/dbraw/zinc/27/76/04/214277604.db2.gz YIUDHEMJTCKZMZ-UHFFFAOYSA-N 1 2 332.517 3.877 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CSCc1ccccc1Cl)C1CC1 ZINC000055401770 214318739 /nfs/dbraw/zinc/31/87/39/214318739.db2.gz IGWLOZBKPDLICE-INIZCTEOSA-N 1 2 349.887 3.574 50 0 EHAALO CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1(C)C ZINC000055816526 214343194 /nfs/dbraw/zinc/34/31/94/214343194.db2.gz UFBOUXHVXVKIOS-MJGOQNOKSA-N 1 2 342.483 3.696 50 0 EHAALO CCc1nc(C[NH2+]Cc2cccc(NC(=O)CC(C)C)c2)cs1 ZINC000064411609 214785448 /nfs/dbraw/zinc/78/54/48/214785448.db2.gz PTMJPUOEABJCKI-UHFFFAOYSA-N 1 2 331.485 3.980 50 0 EHAALO Cc1[nH]c(CN2CCOc3c(O)cc(-c4ccccc4C)cc3C2)c[nH+]1 ZINC000067654181 215174961 /nfs/dbraw/zinc/17/49/61/215174961.db2.gz KXCUCRPIEVHBJB-UHFFFAOYSA-N 1 2 349.434 3.794 50 0 EHAALO Cc1[nH]cc(CN2CCOc3c(O)cc(-c4ccccc4C)cc3C2)[nH+]1 ZINC000067654181 215174963 /nfs/dbraw/zinc/17/49/63/215174963.db2.gz KXCUCRPIEVHBJB-UHFFFAOYSA-N 1 2 349.434 3.794 50 0 EHAALO CCc1noc([C@H](C)[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)n1 ZINC000040511305 213328174 /nfs/dbraw/zinc/32/81/74/213328174.db2.gz IMLJMJSTICRQLT-HNNXBMFYSA-N 1 2 341.455 3.905 50 0 EHAALO COc1ccc(C[N@H+](C)Cc2ncc(-c3ccccc3)o2)cc1OC ZINC000040161519 213277078 /nfs/dbraw/zinc/27/70/78/213277078.db2.gz YFUDSUUVAVQCBM-UHFFFAOYSA-N 1 2 338.407 3.991 50 0 EHAALO COc1ccc(C[N@@H+](C)Cc2ncc(-c3ccccc3)o2)cc1OC ZINC000040161519 213277081 /nfs/dbraw/zinc/27/70/81/213277081.db2.gz YFUDSUUVAVQCBM-UHFFFAOYSA-N 1 2 338.407 3.991 50 0 EHAALO COC(=O)c1oc(C[N@H+](Cc2ccccc2OC)C2CC2)cc1C ZINC000040153662 213275164 /nfs/dbraw/zinc/27/51/64/213275164.db2.gz XCJCEVKBPQNFOC-UHFFFAOYSA-N 1 2 329.396 3.548 50 0 EHAALO COC(=O)c1oc(C[N@@H+](Cc2ccccc2OC)C2CC2)cc1C ZINC000040153662 213275167 /nfs/dbraw/zinc/27/51/67/213275167.db2.gz XCJCEVKBPQNFOC-UHFFFAOYSA-N 1 2 329.396 3.548 50 0 EHAALO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ncc(-c3ccccc3)o1)C2 ZINC000069738417 215555455 /nfs/dbraw/zinc/55/54/55/215555455.db2.gz OKJGXLASJIJMQF-UHFFFAOYSA-N 1 2 336.439 3.757 50 0 EHAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCCc2ccccc21 ZINC000036396299 213097049 /nfs/dbraw/zinc/09/70/49/213097049.db2.gz MJESZSDQUACTKE-OAQYLSRUSA-N 1 2 345.446 3.668 50 0 EHAALO Cc1ccccc1OC[C@@H](O)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000036103212 213067689 /nfs/dbraw/zinc/06/76/89/213067689.db2.gz IQFOQXUOHHVMJE-KRWDZBQOSA-N 1 2 341.407 3.623 50 0 EHAALO Cc1ccc(C(=O)CC[N@@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000187568150 236248927 /nfs/dbraw/zinc/24/89/27/236248927.db2.gz VLJOYPZZTHLXSH-HNNXBMFYSA-N 1 2 332.494 3.814 50 0 EHAALO Cc1ccc(C(=O)CC[N@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000187568150 236248928 /nfs/dbraw/zinc/24/89/28/236248928.db2.gz VLJOYPZZTHLXSH-HNNXBMFYSA-N 1 2 332.494 3.814 50 0 EHAALO CC(C)c1cc(Cn2cc[nH+]c2-c2cccc(Cn3cccn3)c2)on1 ZINC000072163208 216051713 /nfs/dbraw/zinc/05/17/13/216051713.db2.gz MDRPYNJINHMLRS-UHFFFAOYSA-N 1 2 347.422 3.955 50 0 EHAALO CCOc1ccc(C[N@H+](C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000023702749 212391479 /nfs/dbraw/zinc/39/14/79/212391479.db2.gz FMHAIXNPLJOGKR-CQSZACIVSA-N 1 2 337.423 3.515 50 0 EHAALO CCOc1ccc(C[N@@H+](C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000023702749 212391483 /nfs/dbraw/zinc/39/14/83/212391483.db2.gz FMHAIXNPLJOGKR-CQSZACIVSA-N 1 2 337.423 3.515 50 0 EHAALO Cc1ccc(-n2cc(C[NH+]3CCC(c4ccn[nH]4)CC3)cn2)cc1C ZINC000215864643 241151402 /nfs/dbraw/zinc/15/14/02/241151402.db2.gz AHUPJHSCCADSEP-UHFFFAOYSA-N 1 2 335.455 3.592 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCCC[C@H]1c1ccccn1 ZINC000216168348 241170039 /nfs/dbraw/zinc/17/00/39/241170039.db2.gz QKJDHINQOGYPJZ-IBGZPJMESA-N 1 2 348.450 3.884 50 0 EHAALO CCCCC12CN3CC(C)(C[N@H+](C1)C31C3CC4CC(C3)CC1C4)C2=O ZINC000020894186 212182893 /nfs/dbraw/zinc/18/28/93/212182893.db2.gz LTHLCJQKTUMGCG-UHFFFAOYSA-N 1 2 342.527 3.536 50 0 EHAALO CCCCC12CN3CC(C)(C[N@@H+](C1)C31C3CC4CC(C3)CC1C4)C2=O ZINC000020894186 212182898 /nfs/dbraw/zinc/18/28/98/212182898.db2.gz LTHLCJQKTUMGCG-UHFFFAOYSA-N 1 2 342.527 3.536 50 0 EHAALO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000020367210 212123845 /nfs/dbraw/zinc/12/38/45/212123845.db2.gz BMBIRQHXDFFFAM-UHFFFAOYSA-N 1 2 346.833 3.746 50 0 EHAALO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019827325 212073397 /nfs/dbraw/zinc/07/33/97/212073397.db2.gz GWTQIXMTFMYDIK-UHFFFAOYSA-N 1 2 349.261 3.951 50 0 EHAALO COc1cc(-n2cc[nH+]c2[C@H](C)c2ccccc2)ccc1NC(C)=O ZINC000077504594 216921212 /nfs/dbraw/zinc/92/12/12/216921212.db2.gz MJNLMHIXJBPWKC-CQSZACIVSA-N 1 2 335.407 3.991 50 0 EHAALO C[C@@H](c1nc(-c2cccc(OCc3cccnc3)c2)no1)n1cc[nH+]c1 ZINC000078774642 217118836 /nfs/dbraw/zinc/11/88/36/217118836.db2.gz ZQGYBWLGZWFDHF-AWEZNQCLSA-N 1 2 347.378 3.516 50 0 EHAALO O=C(c1ccc(F)c(F)c1)c1ccccc1C[NH+]1CCSCC1 ZINC000085651703 217681607 /nfs/dbraw/zinc/68/16/07/217681607.db2.gz FUGMGBTULVXGEC-UHFFFAOYSA-N 1 2 333.403 3.745 50 0 EHAALO Cn1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(=O)c3cccc(F)c3[nH]2)n1 ZINC000091424993 218002989 /nfs/dbraw/zinc/00/29/89/218002989.db2.gz YHDDBLJTOCCQHR-KRWDZBQOSA-N 1 2 340.402 3.540 50 0 EHAALO Cn1ccc([C@@H]2CCCC[N@H+]2Cc2cc(=O)c3cccc(F)c3[nH]2)n1 ZINC000091424993 218002991 /nfs/dbraw/zinc/00/29/91/218002991.db2.gz YHDDBLJTOCCQHR-KRWDZBQOSA-N 1 2 340.402 3.540 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC000091650918 218039790 /nfs/dbraw/zinc/03/97/90/218039790.db2.gz CWOQBERUOPDBMX-HNNXBMFYSA-N 1 2 331.847 3.885 50 0 EHAALO Cc1cc(N)nc(SCc2ccc(F)cc2Br)[nH+]1 ZINC000010323384 211162751 /nfs/dbraw/zinc/16/27/51/211162751.db2.gz OTEHKWDKYDHDNI-UHFFFAOYSA-N 1 2 328.210 3.561 50 0 EHAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000095371247 218303940 /nfs/dbraw/zinc/30/39/40/218303940.db2.gz HFNKNIOBSILUNZ-CQSZACIVSA-N 1 2 333.382 3.762 50 0 EHAALO CC(C)n1cc([C@H](C)[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)cn1 ZINC000095419874 218359391 /nfs/dbraw/zinc/35/93/91/218359391.db2.gz SXTBMXZGAXWQFX-KBXCAEBGSA-N 1 2 341.434 3.777 50 0 EHAALO Brc1csc(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000055543796 532981751 /nfs/dbraw/zinc/98/17/51/532981751.db2.gz YYDYARJAJQYRFP-UHFFFAOYSA-N 1 2 337.286 3.833 50 0 EHAALO CC(C)COc1ccc(NC(=O)N(C)CCCc2[nH+]ccn2C)cc1 ZINC000097393957 219021772 /nfs/dbraw/zinc/02/17/72/219021772.db2.gz XKCHWVDWYBNIJG-UHFFFAOYSA-N 1 2 344.459 3.551 50 0 EHAALO Cc1ccc(C(=O)Cn2cc(-c3ccc(C)c(C)c3)n(C)c2=[NH2+])cc1 ZINC000334157568 258004611 /nfs/dbraw/zinc/00/46/11/258004611.db2.gz MPFBDRSKNPAGGT-UHFFFAOYSA-N 1 2 333.435 3.781 50 0 EHAALO Cc1ccccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000021600941 258057303 /nfs/dbraw/zinc/05/73/03/258057303.db2.gz KGYVZPABNUKCPD-QGZVFWFLSA-N 1 2 339.826 3.901 50 0 EHAALO CC(C)CCC[C@H]1CN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CCO1 ZINC000071774933 258064017 /nfs/dbraw/zinc/06/40/17/258064017.db2.gz QMYGHLLXWJBLNR-INIZCTEOSA-N 1 2 341.455 3.744 50 0 EHAALO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000092734837 258066574 /nfs/dbraw/zinc/06/65/74/258066574.db2.gz MPYSLTPLKMLPLA-UHFFFAOYSA-N 1 2 332.473 3.975 50 0 EHAALO CC[C@H]1C[N@H+](Cc2nc3ccccc3[nH]2)Cc2cc(OC)ccc2O1 ZINC000299760244 258077168 /nfs/dbraw/zinc/07/71/68/258077168.db2.gz DXBAWFZNKCYVCV-HNNXBMFYSA-N 1 2 337.423 3.745 50 0 EHAALO CC[C@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)Cc2cc(OC)ccc2O1 ZINC000299760244 258077170 /nfs/dbraw/zinc/07/71/70/258077170.db2.gz DXBAWFZNKCYVCV-HNNXBMFYSA-N 1 2 337.423 3.745 50 0 EHAALO Brc1ccc(C[NH+]2CCC(Nc3nccs3)CC2)o1 ZINC000191534386 526638321 /nfs/dbraw/zinc/63/83/21/526638321.db2.gz YDBOIUGNUOWUEE-UHFFFAOYSA-N 1 2 342.262 3.575 50 0 EHAALO COC(=O)c1ccc([C@H](C)[N@@H+](C)Cc2ccc(Br)o2)o1 ZINC000084651698 564069401 /nfs/dbraw/zinc/06/94/01/564069401.db2.gz MWAWMMQRBQFDQW-VIFPVBQESA-N 1 2 342.189 3.615 50 0 EHAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000012704893 563668030 /nfs/dbraw/zinc/66/80/30/563668030.db2.gz VBPXXQRZAZXEPC-HBFSDRIKSA-N 1 2 347.462 3.546 50 0 EHAALO COc1ccc(C(C)=O)cc1C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000012801824 563673831 /nfs/dbraw/zinc/67/38/31/563673831.db2.gz KYFUSRBYMZDSGE-UHFFFAOYSA-N 1 2 349.434 3.716 50 0 EHAALO COc1ccc(C(C)=O)cc1C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000012801824 563673833 /nfs/dbraw/zinc/67/38/33/563673833.db2.gz KYFUSRBYMZDSGE-UHFFFAOYSA-N 1 2 349.434 3.716 50 0 EHAALO C[C@@H](c1ccccc1)[N@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000016694727 563821031 /nfs/dbraw/zinc/82/10/31/563821031.db2.gz NSOKPAUOVKYQQI-LBPRGKRZSA-N 1 2 327.815 3.770 50 0 EHAALO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000016694727 563821034 /nfs/dbraw/zinc/82/10/34/563821034.db2.gz NSOKPAUOVKYQQI-LBPRGKRZSA-N 1 2 327.815 3.770 50 0 EHAALO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1F ZINC000072047022 563860595 /nfs/dbraw/zinc/86/05/95/563860595.db2.gz ZCZVFZQLSBQNOQ-AWEZNQCLSA-N 1 2 340.414 3.844 50 0 EHAALO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1F ZINC000072047022 563860598 /nfs/dbraw/zinc/86/05/98/563860598.db2.gz ZCZVFZQLSBQNOQ-AWEZNQCLSA-N 1 2 340.414 3.844 50 0 EHAALO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)sc1C ZINC000029987064 563909152 /nfs/dbraw/zinc/90/91/52/563909152.db2.gz VLYGUFBRNBTTIZ-INIZCTEOSA-N 1 2 325.437 3.618 50 0 EHAALO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000030005521 563909191 /nfs/dbraw/zinc/90/91/91/563909191.db2.gz UNKOWESFRCHFJT-ZDUSSCGKSA-N 1 2 333.391 3.862 50 0 EHAALO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000030005521 563909192 /nfs/dbraw/zinc/90/91/92/563909192.db2.gz UNKOWESFRCHFJT-ZDUSSCGKSA-N 1 2 333.391 3.862 50 0 EHAALO CN(C)c1[nH+]cccc1CNC(=O)C(c1ccccc1)c1ccccc1 ZINC000032687011 563914260 /nfs/dbraw/zinc/91/42/60/563914260.db2.gz GRBLLKOUXWJLDM-UHFFFAOYSA-N 1 2 345.446 3.596 50 0 EHAALO COc1ccc(CN(C(=O)NCc2c[nH+]c(C)cc2C)C2CC2)cc1 ZINC000459104244 563920046 /nfs/dbraw/zinc/92/00/46/563920046.db2.gz BRRIDNQCKQRQAA-UHFFFAOYSA-N 1 2 339.439 3.581 50 0 EHAALO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1cc2ccccc2o1 ZINC000058295661 563942004 /nfs/dbraw/zinc/94/20/04/563942004.db2.gz BBXCLWVCJIKUCI-ZDUSSCGKSA-N 1 2 332.363 3.505 50 0 EHAALO C[C@H](CCc1ccccc1)CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000058367479 563944021 /nfs/dbraw/zinc/94/40/21/563944021.db2.gz IPBUSOPTJKEBFW-QGZVFWFLSA-N 1 2 348.450 3.543 50 0 EHAALO COc1ccc(C)cc1C[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000058430106 563946220 /nfs/dbraw/zinc/94/62/20/563946220.db2.gz CEWCFOOUWTZNME-IBGZPJMESA-N 1 2 349.434 3.995 50 0 EHAALO COc1ccc(C)cc1C[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000058430106 563946221 /nfs/dbraw/zinc/94/62/21/563946221.db2.gz CEWCFOOUWTZNME-IBGZPJMESA-N 1 2 349.434 3.995 50 0 EHAALO CC(=O)Nc1c(C)ccc(NCc2[nH+]ccn2CC(F)(F)F)c1C ZINC000096427448 563952168 /nfs/dbraw/zinc/95/21/68/563952168.db2.gz BBMXPSNDIIAWBX-UHFFFAOYSA-N 1 2 340.349 3.633 50 0 EHAALO CCC(CC)C(=O)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1 ZINC000033084497 563963407 /nfs/dbraw/zinc/96/34/07/563963407.db2.gz ULZNPCWELTZMPM-UHFFFAOYSA-N 1 2 341.455 3.755 50 0 EHAALO O=C(NCc1ccccc1-n1cc[nH+]c1)c1c[nH]nc1C1CCCCC1 ZINC000069394382 563963494 /nfs/dbraw/zinc/96/34/94/563963494.db2.gz XIPCOWDWGROVQH-UHFFFAOYSA-N 1 2 349.438 3.573 50 0 EHAALO O=C1CCCCN1CCn1cc[nH+]c1-c1ccccc1-c1ccco1 ZINC000071750011 563965110 /nfs/dbraw/zinc/96/51/10/563965110.db2.gz WMVSHIYWAIPAIL-UHFFFAOYSA-N 1 2 335.407 3.823 50 0 EHAALO Cc1cc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)[nH+]c2ccccc12 ZINC000077377856 563969299 /nfs/dbraw/zinc/96/92/99/563969299.db2.gz WFFOHQMZNSNOBB-JOCHJYFZSA-N 1 2 349.478 3.915 50 0 EHAALO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1c(Cl)ccc(O)c1Cl ZINC000077425621 563969553 /nfs/dbraw/zinc/96/95/53/563969553.db2.gz LHMDXDZFRBBGBZ-GFCCVEGCSA-N 1 2 345.270 3.580 50 0 EHAALO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1c(Cl)ccc(O)c1Cl ZINC000077425621 563969554 /nfs/dbraw/zinc/96/95/54/563969554.db2.gz LHMDXDZFRBBGBZ-GFCCVEGCSA-N 1 2 345.270 3.580 50 0 EHAALO Brc1ccnc(C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000585135882 563971881 /nfs/dbraw/zinc/97/18/81/563971881.db2.gz HIDFBOTXPYHJRR-UHFFFAOYSA-N 1 2 339.277 3.768 50 0 EHAALO CC(C)Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000082100130 563972242 /nfs/dbraw/zinc/97/22/42/563972242.db2.gz LQDJRYGGXGSKCR-SFHVURJKSA-N 1 2 325.456 3.638 50 0 EHAALO O=C(Cc1cccc(Cl)c1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000082108767 563972340 /nfs/dbraw/zinc/97/23/40/563972340.db2.gz KGAZTZOLGFDPGV-KRWDZBQOSA-N 1 2 331.847 3.550 50 0 EHAALO Cc1ccccc1SC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000082157765 563972769 /nfs/dbraw/zinc/97/27/69/563972769.db2.gz WJVOTXDZEXTWCU-INIZCTEOSA-N 1 2 343.496 3.926 50 0 EHAALO O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082157332 563972771 /nfs/dbraw/zinc/97/27/71/563972771.db2.gz AYIBINOQXHGKHE-QGZVFWFLSA-N 1 2 348.450 3.794 50 0 EHAALO O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1C[NH+]1CCCCC1 ZINC000033392134 563983479 /nfs/dbraw/zinc/98/34/79/563983479.db2.gz ZKQRMZQCCLFEET-CRWKAAGYSA-N 1 2 328.437 3.723 50 0 EHAALO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccccc3Cl)c2cc1C ZINC000000446404 563997450 /nfs/dbraw/zinc/99/74/50/563997450.db2.gz XITJYSOCRYCLGA-CQSZACIVSA-N 1 2 330.815 3.746 50 0 EHAALO COc1ccc(C)cc1CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048620 564017833 /nfs/dbraw/zinc/01/78/33/564017833.db2.gz FOFPVEJAGSSKSI-INIZCTEOSA-N 1 2 349.434 3.609 50 0 EHAALO C[C@@H](c1cccs1)N(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045490568 564028486 /nfs/dbraw/zinc/02/84/86/564028486.db2.gz GWDCCGAQOIZNLK-AWEZNQCLSA-N 1 2 344.484 3.646 50 0 EHAALO CCCc1noc([C@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000045914039 564028865 /nfs/dbraw/zinc/02/88/65/564028865.db2.gz DCTXTLBSHSXOOT-KSSFIOAISA-N 1 2 329.444 3.529 50 0 EHAALO O=C(CCCc1ccccc1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000048333033 564031081 /nfs/dbraw/zinc/03/10/81/564031081.db2.gz UPZCQAWMAMHFSW-UHFFFAOYSA-N 1 2 337.467 3.711 50 0 EHAALO CCC[C@H](NC(=O)Cc1ccccc1C(F)(F)F)c1[nH+]ccn1C ZINC000223307764 564039556 /nfs/dbraw/zinc/03/95/56/564039556.db2.gz VWMNFLLHFXBWDB-AWEZNQCLSA-N 1 2 339.361 3.639 50 0 EHAALO CC(C)N(C)c1ccc(CNc2cccc(NC(=O)C3CC3)c2)c[nH+]1 ZINC000240244226 564051710 /nfs/dbraw/zinc/05/17/10/564051710.db2.gz DLBICIPHHNZHTO-UHFFFAOYSA-N 1 2 338.455 3.887 50 0 EHAALO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc([S@](C)=O)cc1 ZINC000128906720 564053252 /nfs/dbraw/zinc/05/32/52/564053252.db2.gz KJMVCULGRFMMDT-HSZRJFAPSA-N 1 2 331.416 3.545 50 0 EHAALO CCc1cccc(OC2C[NH+](Cc3cc(-c4cccnc4)no3)C2)c1 ZINC000252503870 564053571 /nfs/dbraw/zinc/05/35/71/564053571.db2.gz VGULFDUNYFYSEX-UHFFFAOYSA-N 1 2 335.407 3.562 50 0 EHAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1C(F)(F)F ZINC000012552379 564059203 /nfs/dbraw/zinc/05/92/03/564059203.db2.gz AERLVVJFCRVJQV-UHFFFAOYSA-N 1 2 349.356 3.631 50 0 EHAALO COc1ccccc1C[N@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000012565053 564059695 /nfs/dbraw/zinc/05/96/95/564059695.db2.gz PHOYFNIOVWMOOI-UHFFFAOYSA-N 1 2 342.468 3.531 50 0 EHAALO COc1ccccc1C[N@@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000012565053 564059696 /nfs/dbraw/zinc/05/96/96/564059696.db2.gz PHOYFNIOVWMOOI-UHFFFAOYSA-N 1 2 342.468 3.531 50 0 EHAALO O=C(Nc1ccccc1)n1ccc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000001402341 564065067 /nfs/dbraw/zinc/06/50/67/564065067.db2.gz FJNHAVXYEQSETJ-UHFFFAOYSA-N 1 2 329.363 3.816 50 0 EHAALO COC(=O)c1ccc([C@H](C)[N@H+](C)Cc2ccc(Br)o2)o1 ZINC000084651698 564069400 /nfs/dbraw/zinc/06/94/00/564069400.db2.gz MWAWMMQRBQFDQW-VIFPVBQESA-N 1 2 342.189 3.615 50 0 EHAALO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121127056 564073147 /nfs/dbraw/zinc/07/31/47/564073147.db2.gz PQFLZCMOUXSUCC-ZDUSSCGKSA-N 1 2 349.504 3.546 50 0 EHAALO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121127056 564073148 /nfs/dbraw/zinc/07/31/48/564073148.db2.gz PQFLZCMOUXSUCC-ZDUSSCGKSA-N 1 2 349.504 3.546 50 0 EHAALO C[C@@H](Nc1cc(N[C@@H](C)c2nccs2)nc[nH+]1)c1nccs1 ZINC000185381508 564073564 /nfs/dbraw/zinc/07/35/64/564073564.db2.gz MGEKNPCONCQAKM-AOOOYVTPSA-N 1 2 332.458 3.736 50 0 EHAALO C[C@@H](Nc1cc(N[C@@H](C)c2nccs2)[nH+]cn1)c1nccs1 ZINC000185381508 564073565 /nfs/dbraw/zinc/07/35/65/564073565.db2.gz MGEKNPCONCQAKM-AOOOYVTPSA-N 1 2 332.458 3.736 50 0 EHAALO O=c1[nH]c(C[N@@H+]2CCC[C@H]2c2cccs2)nc2ccc(Cl)cc12 ZINC000012906313 564077855 /nfs/dbraw/zinc/07/78/55/564077855.db2.gz KPOWIKXBICJQMX-AWEZNQCLSA-N 1 2 345.855 3.975 50 0 EHAALO O=c1[nH]c(C[N@H+]2CCC[C@H]2c2cccs2)nc2ccc(Cl)cc12 ZINC000012906313 564077856 /nfs/dbraw/zinc/07/78/56/564077856.db2.gz KPOWIKXBICJQMX-AWEZNQCLSA-N 1 2 345.855 3.975 50 0 EHAALO Cc1ccc([C@@H](Nc2[nH+]cnc3c2cnn3C)c2cccs2)cc1 ZINC000012923211 564078402 /nfs/dbraw/zinc/07/84/02/564078402.db2.gz NWLCGIGDLNNMAK-MRXNPFEDSA-N 1 2 335.436 3.935 50 0 EHAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1c(F)c(F)cc(F)c1F ZINC000075093375 564079976 /nfs/dbraw/zinc/07/99/76/564079976.db2.gz ZCGNDZRHGUBJOK-UHFFFAOYSA-N 1 2 335.260 3.681 50 0 EHAALO CCN(C(=O)[C@@H](C)Sc1[nH+]cc2ccccn21)c1ccccc1 ZINC000026372426 564082072 /nfs/dbraw/zinc/08/20/72/564082072.db2.gz WQTUXBUJCSEXGC-CQSZACIVSA-N 1 2 325.437 3.868 50 0 EHAALO CC(C)n1cc[nH+]c1CNC(=O)[C@]1(c2ccccc2)CC12CCCC2 ZINC000426369926 564093511 /nfs/dbraw/zinc/09/35/11/564093511.db2.gz JOCSWQLLMIOSDF-OAQYLSRUSA-N 1 2 337.467 3.982 50 0 EHAALO Cc1cc(CN(C)C(=O)c2cccc(-c3cc(C)[nH+]c(C)c3)c2)on1 ZINC000426658313 564094313 /nfs/dbraw/zinc/09/43/13/564094313.db2.gz IRAIGYPQZHIQMF-UHFFFAOYSA-N 1 2 335.407 3.934 50 0 EHAALO Fc1ccc(Cl)cc1-c1nnc(-c2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000065259417 564103578 /nfs/dbraw/zinc/10/35/78/564103578.db2.gz RBIDDVUQTDIVGJ-UHFFFAOYSA-N 1 2 341.733 3.777 50 0 EHAALO CC[NH+]1CCN(C(=O)c2cc3cn(C4CCCC4)cc3s2)CC1 ZINC000065285785 564104343 /nfs/dbraw/zinc/10/43/43/564104343.db2.gz ZRTLNPBMFIRSCV-UHFFFAOYSA-N 1 2 331.485 3.596 50 0 EHAALO C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000065504419 564106648 /nfs/dbraw/zinc/10/66/48/564106648.db2.gz KQXPCPRPBAJJEM-HUUCEWRRSA-N 1 2 341.480 3.505 50 0 EHAALO CCc1ccc(C(=O)Nc2cccc(OCCn3cc[nH+]c3)c2)cc1 ZINC000042707213 564111070 /nfs/dbraw/zinc/11/10/70/564111070.db2.gz CPYFSKXXNOBSHN-UHFFFAOYSA-N 1 2 335.407 3.777 50 0 EHAALO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@@H]1c1ccccc1 ZINC000071820854 564111265 /nfs/dbraw/zinc/11/12/65/564111265.db2.gz BVEALGIQQLBDJA-RBUKOAKNSA-N 1 2 335.451 3.662 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc2c(s1)CCC2 ZINC000089729964 564113424 /nfs/dbraw/zinc/11/34/24/564113424.db2.gz TUEODCDVYSMQET-UHFFFAOYSA-N 1 2 339.464 3.715 50 0 EHAALO c1csc(N2Cc3cccc(NCc4cn5ccccc5[nH+]4)c3C2)n1 ZINC000089878895 564114662 /nfs/dbraw/zinc/11/46/62/564114662.db2.gz BCWLFYNGODVZBE-UHFFFAOYSA-N 1 2 347.447 3.923 50 0 EHAALO CCOC(=O)[C@]1(C)CCC[N@@H+]1Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000089978199 564115959 /nfs/dbraw/zinc/11/59/59/564115959.db2.gz QJXJYVQQFNDMPH-FQEVSTJZSA-N 1 2 331.456 3.732 50 0 EHAALO CCOC(=O)[C@]1(C)CCC[N@H+]1Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000089978199 564115960 /nfs/dbraw/zinc/11/59/60/564115960.db2.gz QJXJYVQQFNDMPH-FQEVSTJZSA-N 1 2 331.456 3.732 50 0 EHAALO CC(C)c1[nH+]c2ccccc2n1C[C@@H](O)COC[C@H]1CC=CCC1 ZINC000013228327 564136140 /nfs/dbraw/zinc/13/61/40/564136140.db2.gz FQWFPOQPUQWOHA-DLBZAZTESA-N 1 2 328.456 3.894 50 0 EHAALO Cc1ccc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)o1 ZINC000093864757 564138085 /nfs/dbraw/zinc/13/80/85/564138085.db2.gz RXHHQIAAYFFJAY-HNNXBMFYSA-N 1 2 329.425 3.613 50 0 EHAALO Cc1ccc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)o1 ZINC000093864757 564138086 /nfs/dbraw/zinc/13/80/86/564138086.db2.gz RXHHQIAAYFFJAY-HNNXBMFYSA-N 1 2 329.425 3.613 50 0 EHAALO COc1ccccc1C(C)(C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000390835543 564139013 /nfs/dbraw/zinc/13/90/13/564139013.db2.gz QGVLZIGGJITZDV-UHFFFAOYSA-N 1 2 349.434 3.605 50 0 EHAALO CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000095962296 564142766 /nfs/dbraw/zinc/14/27/66/564142766.db2.gz BZVRGAIIMFTSEP-AWEZNQCLSA-N 1 2 342.443 3.999 50 0 EHAALO CSc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCCCC3)cc1F ZINC000095967139 564143051 /nfs/dbraw/zinc/14/30/51/564143051.db2.gz OBUQLCQUZOCKEO-LBPRGKRZSA-N 1 2 334.464 3.716 50 0 EHAALO C[C@H]([NH2+]Cc1csc([C@H]2CCCO2)n1)c1ccc2c(c1)OCCO2 ZINC000095984275 564143854 /nfs/dbraw/zinc/14/38/54/564143854.db2.gz BUNDBLXGKLNYFN-BLLLJJGKSA-N 1 2 346.452 3.617 50 0 EHAALO Clc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c2c(c1)COCO2 ZINC000029533814 564153713 /nfs/dbraw/zinc/15/37/13/564153713.db2.gz KZFXUDCFMFTSAT-GOSISDBHSA-N 1 2 345.826 3.780 50 0 EHAALO Clc1cc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c2c(c1)COCO2 ZINC000029533814 564153714 /nfs/dbraw/zinc/15/37/14/564153714.db2.gz KZFXUDCFMFTSAT-GOSISDBHSA-N 1 2 345.826 3.780 50 0 EHAALO CC(C)(C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000003271904 564156817 /nfs/dbraw/zinc/15/68/17/564156817.db2.gz WQTGYDDIUWXLHC-UHFFFAOYSA-N 1 2 329.469 3.686 50 0 EHAALO CC(C)(C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000003271904 564156818 /nfs/dbraw/zinc/15/68/18/564156818.db2.gz WQTGYDDIUWXLHC-UHFFFAOYSA-N 1 2 329.469 3.686 50 0 EHAALO Cc1cc(C)c(C(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000067206077 564165365 /nfs/dbraw/zinc/16/53/65/564165365.db2.gz OSFMOPLPJJUBDH-UHFFFAOYSA-N 1 2 340.442 3.756 50 0 EHAALO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008473817 564165401 /nfs/dbraw/zinc/16/54/01/564165401.db2.gz OAGFPWHFJYCLMV-NSHDSACASA-N 1 2 340.851 3.677 50 0 EHAALO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008473817 564165402 /nfs/dbraw/zinc/16/54/02/564165402.db2.gz OAGFPWHFJYCLMV-NSHDSACASA-N 1 2 340.851 3.677 50 0 EHAALO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]1c1cccs1 ZINC000173458861 564171040 /nfs/dbraw/zinc/17/10/40/564171040.db2.gz PUMKPXUFZBTTEH-CQSZACIVSA-N 1 2 332.473 3.647 50 0 EHAALO CCC(=O)Nc1cccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000069705330 564171652 /nfs/dbraw/zinc/17/16/52/564171652.db2.gz FRJWAVUJOZNWBF-UHFFFAOYSA-N 1 2 348.406 3.532 50 0 EHAALO CC(C)c1nc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)no1 ZINC000069772061 564172071 /nfs/dbraw/zinc/17/20/71/564172071.db2.gz MFUVKCSEXPYAHD-UHFFFAOYSA-N 1 2 335.835 3.642 50 0 EHAALO COc1ccc(SCc2[nH+]ccn2CC(F)(F)F)cc1OC ZINC000077495957 564176765 /nfs/dbraw/zinc/17/67/65/564176765.db2.gz OWNLBKSERCGGID-UHFFFAOYSA-N 1 2 332.347 3.755 50 0 EHAALO Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)c2cc(C)c(C)[nH+]c12 ZINC000100680496 564177735 /nfs/dbraw/zinc/17/77/35/564177735.db2.gz NEVHTFGKPCFPNB-UHFFFAOYSA-N 1 2 341.436 3.543 50 0 EHAALO C[C@@H](c1ccccn1)[N@H+](C)Cc1cnc(SC(F)(F)F)n1C ZINC000585117246 1137008351 /nfs/dbraw/zinc/00/83/51/1137008351.db2.gz WBSKMTZORAOIAU-JTQLQIEISA-N 1 2 330.379 3.620 50 0 EHAALO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cnc(SC(F)(F)F)n1C ZINC000585117246 1137008353 /nfs/dbraw/zinc/00/83/53/1137008353.db2.gz WBSKMTZORAOIAU-JTQLQIEISA-N 1 2 330.379 3.620 50 0 EHAALO CCN(C/C=C/c1ccccc1)C(=O)CCc1cn2ccccc2[nH+]1 ZINC000055182483 214284694 /nfs/dbraw/zinc/28/46/94/214284694.db2.gz MBJDPJQAVDZUSJ-DHZHZOJOSA-N 1 2 333.435 3.829 50 0 EHAALO CC[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)Cc1ccncc1 ZINC000055281346 214300258 /nfs/dbraw/zinc/30/02/58/214300258.db2.gz VWZQYYKSKXOJRB-UHFFFAOYSA-N 1 2 328.803 3.807 50 0 EHAALO CC[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)Cc1ccncc1 ZINC000055281346 214300261 /nfs/dbraw/zinc/30/02/61/214300261.db2.gz VWZQYYKSKXOJRB-UHFFFAOYSA-N 1 2 328.803 3.807 50 0 EHAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(Cl)c1 ZINC000066888204 215091917 /nfs/dbraw/zinc/09/19/17/215091917.db2.gz VYLDEQUYZCBMGK-UHFFFAOYSA-N 1 2 326.787 3.847 50 0 EHAALO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000067230551 215126864 /nfs/dbraw/zinc/12/68/64/215126864.db2.gz XVVRRZKKNKGVLZ-MRXNPFEDSA-N 1 2 339.395 3.682 50 0 EHAALO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1Cc1nnc(-c2ccco2)o1 ZINC000067230551 215126867 /nfs/dbraw/zinc/12/68/67/215126867.db2.gz XVVRRZKKNKGVLZ-MRXNPFEDSA-N 1 2 339.395 3.682 50 0 EHAALO Cc1ccc(C)c(C(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000067206293 215123607 /nfs/dbraw/zinc/12/36/07/215123607.db2.gz OXAVTSRQGBUTOA-UHFFFAOYSA-N 1 2 336.479 3.925 50 0 EHAALO COc1cc(C[N@H+](C)[C@H](C)c2nc(C3CC3)no2)ccc1SC ZINC000069323436 215377618 /nfs/dbraw/zinc/37/76/18/215377618.db2.gz GDKJTXRKBTUARU-LLVKDONJSA-N 1 2 333.457 3.871 50 0 EHAALO COc1cc(C[N@@H+](C)[C@H](C)c2nc(C3CC3)no2)ccc1SC ZINC000069323436 215377623 /nfs/dbraw/zinc/37/76/23/215377623.db2.gz GDKJTXRKBTUARU-LLVKDONJSA-N 1 2 333.457 3.871 50 0 EHAALO C[C@H](CNc1ncnc2sc3c(c21)CCCCC3)Cn1cc[nH+]c1 ZINC000040139249 213270916 /nfs/dbraw/zinc/27/09/16/213270916.db2.gz QARXIPPLBKVUGF-CYBMUJFWSA-N 1 2 341.484 3.905 50 0 EHAALO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000040092430 213262365 /nfs/dbraw/zinc/26/23/65/213262365.db2.gz GHLNUQWGLWOQDL-IAGOWNOFSA-N 1 2 349.434 3.522 50 0 EHAALO Cc1ccccc1-n1ncc2c1nc[nH+]c2NCCc1cccs1 ZINC000035681881 213046595 /nfs/dbraw/zinc/04/65/95/213046595.db2.gz WCHUUWZELGGQLG-UHFFFAOYSA-N 1 2 335.436 3.840 50 0 EHAALO COc1ccc(-c2nc(CN(C)Cc3[nH]cc[nH+]3)c(C)o2)c(C)c1C ZINC000071404031 215769132 /nfs/dbraw/zinc/76/91/32/215769132.db2.gz VKJHUQSNRRUWPI-UHFFFAOYSA-N 1 2 340.427 3.631 50 0 EHAALO O=C(CCc1c[nH+]c[nH]1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000189545218 237010561 /nfs/dbraw/zinc/01/05/61/237010561.db2.gz ZJKADFFRTDOZMZ-NRFANRHFSA-N 1 2 345.446 3.711 50 0 EHAALO O=C(CCc1c[nH]c[nH+]1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000189545218 237010562 /nfs/dbraw/zinc/01/05/62/237010562.db2.gz ZJKADFFRTDOZMZ-NRFANRHFSA-N 1 2 345.446 3.711 50 0 EHAALO C[N@H+](Cc1cc(-c2ccncc2)no1)Cc1nc2c(s1)CCCC2 ZINC000072164327 216052789 /nfs/dbraw/zinc/05/27/89/216052789.db2.gz UGMXETIPIJOEEY-UHFFFAOYSA-N 1 2 340.452 3.704 50 0 EHAALO C[N@@H+](Cc1cc(-c2ccncc2)no1)Cc1nc2c(s1)CCCC2 ZINC000072164327 216052791 /nfs/dbraw/zinc/05/27/91/216052791.db2.gz UGMXETIPIJOEEY-UHFFFAOYSA-N 1 2 340.452 3.704 50 0 EHAALO Cc1nn2c(nc(-c3ccccc3)cc2N[C@H](C)c2[nH]cc[nH+]2)c1C ZINC000072476702 216254872 /nfs/dbraw/zinc/25/48/72/216254872.db2.gz ASNWYYOAKRAPQH-CQSZACIVSA-N 1 2 332.411 3.909 50 0 EHAALO Cn1[nH]c(-c2ccccc2)c2nc(-c3ccc(-n4cc[nH+]c4)cc3)nc1-2 ZINC000023379997 212372847 /nfs/dbraw/zinc/37/28/47/212372847.db2.gz XEAPPLNUGGZUOI-UHFFFAOYSA-N 1 2 340.390 3.816 50 0 EHAALO COc1cccc(Nc2ncc(C[N@H+](C)Cc3cccnc3)s2)c1 ZINC000023145307 212355989 /nfs/dbraw/zinc/35/59/89/212355989.db2.gz PWRDJBUSLTVTQQ-UHFFFAOYSA-N 1 2 340.452 3.922 50 0 EHAALO COc1cccc(Nc2ncc(C[N@@H+](C)Cc3cccnc3)s2)c1 ZINC000023145307 212355992 /nfs/dbraw/zinc/35/59/92/212355992.db2.gz PWRDJBUSLTVTQQ-UHFFFAOYSA-N 1 2 340.452 3.922 50 0 EHAALO CSCc1noc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000244626501 243044386 /nfs/dbraw/zinc/04/43/86/243044386.db2.gz FMXYZYLMWCBXRZ-UHFFFAOYSA-N 1 2 331.363 3.583 50 0 EHAALO CSCc1noc(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000244626501 243044394 /nfs/dbraw/zinc/04/43/94/243044394.db2.gz FMXYZYLMWCBXRZ-UHFFFAOYSA-N 1 2 331.363 3.583 50 0 EHAALO O=C(c1csc2c1CCCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020522557 212143359 /nfs/dbraw/zinc/14/33/59/212143359.db2.gz OJZHQAOLJJLXHZ-UHFFFAOYSA-N 1 2 340.492 3.585 50 0 EHAALO CCCn1c2ccccc2n(C[C@H](O)c2ccc(Cl)cc2)c1=[NH2+] ZINC000019771502 212063035 /nfs/dbraw/zinc/06/30/35/212063035.db2.gz VWIUXRLRHXNYCN-KRWDZBQOSA-N 1 2 329.831 3.719 50 0 EHAALO CC(C)(C)C(=O)N[C@H]([NH2+]C1CCCCC1)C(Cl)(Cl)Cl ZINC000019286822 212009602 /nfs/dbraw/zinc/00/96/02/212009602.db2.gz XHOUYHOVQHYXQI-JTQLQIEISA-N 1 2 329.699 3.767 50 0 EHAALO Oc1ccc(C2=CC[N@H+](Cc3nc(-c4ccsc4)no3)CC2)cc1 ZINC000078254315 217034863 /nfs/dbraw/zinc/03/48/63/217034863.db2.gz BXRJBZKPRJHDOJ-UHFFFAOYSA-N 1 2 339.420 3.793 50 0 EHAALO Oc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccsc4)no3)CC2)cc1 ZINC000078254315 217034866 /nfs/dbraw/zinc/03/48/66/217034866.db2.gz BXRJBZKPRJHDOJ-UHFFFAOYSA-N 1 2 339.420 3.793 50 0 EHAALO CC(=O)c1c(C)nc(C)nc1SCc1c(C)[nH+]c2ccccn21 ZINC000078876808 217136086 /nfs/dbraw/zinc/13/60/86/217136086.db2.gz FQAVSKKDBHJUJP-UHFFFAOYSA-N 1 2 326.425 3.544 50 0 EHAALO COc1cc2ccccc2cc1C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000012520635 211397445 /nfs/dbraw/zinc/39/74/45/211397445.db2.gz VKJCZXMCIJZGEQ-UHFFFAOYSA-N 1 2 344.374 3.681 50 0 EHAALO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4ncc[nH]4)C3)ccc2c1 ZINC000012305395 211339717 /nfs/dbraw/zinc/33/97/17/211339717.db2.gz AJQLGIVUWISQPO-GOSISDBHSA-N 1 2 349.434 3.666 50 0 EHAALO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4ncc[nH]4)C3)ccc2c1 ZINC000012305395 211339722 /nfs/dbraw/zinc/33/97/22/211339722.db2.gz AJQLGIVUWISQPO-GOSISDBHSA-N 1 2 349.434 3.666 50 0 EHAALO COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4[nH]cc[nH+]4)C3)ccc2c1 ZINC000012305395 211339725 /nfs/dbraw/zinc/33/97/25/211339725.db2.gz AJQLGIVUWISQPO-GOSISDBHSA-N 1 2 349.434 3.666 50 0 EHAALO O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1CCc1cccs1 ZINC000091646059 218039739 /nfs/dbraw/zinc/03/97/39/218039739.db2.gz XKVVSWDERONMJL-INIZCTEOSA-N 1 2 331.485 3.739 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccccc1F)c1ccccc1F ZINC000010260929 211158203 /nfs/dbraw/zinc/15/82/03/211158203.db2.gz YLMVURPACAIAKU-INIZCTEOSA-N 1 2 342.349 3.609 50 0 EHAALO Cc1c(C)n(-c2nccs2)c2nc[nH+]c(NCc3ccco3)c12 ZINC000009575469 211104015 /nfs/dbraw/zinc/10/40/15/211104015.db2.gz VIPNKBLLLBHSGC-UHFFFAOYSA-N 1 2 325.397 3.699 50 0 EHAALO CC(C)(C)CC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095375517 218307675 /nfs/dbraw/zinc/30/76/75/218307675.db2.gz BFRBJNGESKSJGY-AWEZNQCLSA-N 1 2 346.500 3.530 50 0 EHAALO CC(C)(C)CC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095375518 218308122 /nfs/dbraw/zinc/30/81/22/218308122.db2.gz BFRBJNGESKSJGY-CQSZACIVSA-N 1 2 346.500 3.530 50 0 EHAALO c1csc(C2([NH2+]Cc3nccn3Cc3ccccc3)CCCC2)n1 ZINC000095397871 218330501 /nfs/dbraw/zinc/33/05/01/218330501.db2.gz IFYFESDGBJLONR-UHFFFAOYSA-N 1 2 338.480 3.947 50 0 EHAALO Cc1[nH]c2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2c1C ZINC000055696773 258061260 /nfs/dbraw/zinc/06/12/60/258061260.db2.gz XGWFJDGTGKWGOI-UHFFFAOYSA-N 1 2 344.418 3.900 50 0 EHAALO O=C(NC1CC1)[C@H]([NH2+]Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000057568239 258061716 /nfs/dbraw/zinc/06/17/16/258061716.db2.gz AKSBADGIQJFEOY-QGZVFWFLSA-N 1 2 332.806 3.589 50 0 EHAALO COc1ccc(C2=CC[N@H+](Cc3cn4ccsc4n3)CC2)cc1 ZINC000064344987 258062112 /nfs/dbraw/zinc/06/21/12/258062112.db2.gz QKPAQHRGZRMGMT-UHFFFAOYSA-N 1 2 325.437 3.694 50 0 EHAALO COc1ccc(C2=CC[N@@H+](Cc3cn4ccsc4n3)CC2)cc1 ZINC000064344987 258062114 /nfs/dbraw/zinc/06/21/14/258062114.db2.gz QKPAQHRGZRMGMT-UHFFFAOYSA-N 1 2 325.437 3.694 50 0 EHAALO CC(C)CCC[C@@H]1CN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CCO1 ZINC000071774932 258063954 /nfs/dbraw/zinc/06/39/54/258063954.db2.gz QMYGHLLXWJBLNR-MRXNPFEDSA-N 1 2 341.455 3.744 50 0 EHAALO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1ccc(F)cc1Cl ZINC000040118883 132398686 /nfs/dbraw/zinc/39/86/86/132398686.db2.gz DPDYNKBKMVYCHI-UHFFFAOYSA-N 1 2 347.821 3.794 50 0 EHAALO CC1CCN(c2ccc(CNC(=O)CCc3ccsc3)c[nH+]2)CC1 ZINC000040122057 132399161 /nfs/dbraw/zinc/39/91/61/132399161.db2.gz IONHQXXJFSAIKB-UHFFFAOYSA-N 1 2 343.496 3.628 50 0 EHAALO CC(=O)c1cc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)cs1 ZINC000216420647 534818102 /nfs/dbraw/zinc/81/81/02/534818102.db2.gz SDCSJELIHGEKAK-KRWDZBQOSA-N 1 2 330.453 3.527 50 0 EHAALO CC(=O)c1cc(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)cs1 ZINC000216420647 534818104 /nfs/dbraw/zinc/81/81/04/534818104.db2.gz SDCSJELIHGEKAK-KRWDZBQOSA-N 1 2 330.453 3.527 50 0 EHAALO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)o1 ZINC000097373669 563599278 /nfs/dbraw/zinc/59/92/78/563599278.db2.gz IRDHNKDHYZVJMY-NEPJUHHUSA-N 1 2 343.406 3.677 50 0 EHAALO Cc1ccn2cc(CCNC(=O)c3ccc(C(F)(F)F)cc3)[nH+]c2c1 ZINC000002960914 563622410 /nfs/dbraw/zinc/62/24/10/563622410.db2.gz AIKSQBJPJDNYJX-UHFFFAOYSA-N 1 2 347.340 3.634 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2F)c1C ZINC000012792354 563671939 /nfs/dbraw/zinc/67/19/39/563671939.db2.gz UNMZYVSHBSISAM-DGCLKSJQSA-N 1 2 330.403 3.895 50 0 EHAALO CC(=O)N1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000016444086 563811258 /nfs/dbraw/zinc/81/12/58/563811258.db2.gz YDPKWWDZHOKVIQ-UHFFFAOYSA-N 1 2 349.887 3.518 50 0 EHAALO CC(=O)N1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000016444086 563811259 /nfs/dbraw/zinc/81/12/59/563811259.db2.gz YDPKWWDZHOKVIQ-UHFFFAOYSA-N 1 2 349.887 3.518 50 0 EHAALO Cc1cc(Cl)ccc1NC(=S)N1CCN(c2cccc[nH+]2)CC1 ZINC000018275917 563851907 /nfs/dbraw/zinc/85/19/07/563851907.db2.gz IJSJPBBAPFBKRV-UHFFFAOYSA-N 1 2 346.887 3.562 50 0 EHAALO CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc[nH+]1)CO3 ZINC000020676429 563860079 /nfs/dbraw/zinc/86/00/79/563860079.db2.gz FCASLXUOBNFKJF-UHFFFAOYSA-N 1 2 336.391 3.805 50 0 biogenic EHAALO O=C(NCc1ccccc1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000032912999 563914464 /nfs/dbraw/zinc/91/44/64/563914464.db2.gz GNZYZDPBKBTHFU-UHFFFAOYSA-N 1 2 325.799 3.515 50 0 EHAALO Cc1ccc(C(=O)CCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000058407008 563945156 /nfs/dbraw/zinc/94/51/56/563945156.db2.gz RDAFKWMMDATHSX-UHFFFAOYSA-N 1 2 333.391 3.782 50 0 EHAALO Cc1[nH+]c[nH]c1CSCCNC(=O)c1c(C)c(C)cc(C)c1C ZINC000063869863 563956390 /nfs/dbraw/zinc/95/63/90/563956390.db2.gz RDLBFFRSAIJULQ-UHFFFAOYSA-N 1 2 331.485 3.615 50 0 EHAALO O=C(NCC1=CCC[N@@H+](Cc2cc(F)ccc2Cl)C1)c1ccco1 ZINC000065380761 563958899 /nfs/dbraw/zinc/95/88/99/563958899.db2.gz GBVLSJGUFVTWKF-UHFFFAOYSA-N 1 2 348.805 3.634 50 0 EHAALO O=C(NCC1=CCC[N@H+](Cc2cc(F)ccc2Cl)C1)c1ccco1 ZINC000065380761 563958900 /nfs/dbraw/zinc/95/89/00/563958900.db2.gz GBVLSJGUFVTWKF-UHFFFAOYSA-N 1 2 348.805 3.634 50 0 EHAALO CC(C)c1nc(CN(C)C(=O)CCc2cn3ccccc3[nH+]2)cs1 ZINC000065429964 563960780 /nfs/dbraw/zinc/96/07/80/563960780.db2.gz LCJFNGYQQQDEBA-UHFFFAOYSA-N 1 2 342.468 3.505 50 0 EHAALO Cc1c[nH+]c(C)nc1NCc1cccnc1N1CCc2ccccc2C1 ZINC000067446960 563962307 /nfs/dbraw/zinc/96/23/07/563962307.db2.gz QHRQMXWTFXKBTR-UHFFFAOYSA-N 1 2 345.450 3.663 50 0 EHAALO O=c1[nH]c(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nc2ccccc21 ZINC000299561849 563963696 /nfs/dbraw/zinc/96/36/96/563963696.db2.gz FIPURQSHLIJEIM-UHFFFAOYSA-N 1 2 345.406 3.596 50 0 EHAALO C[NH+]1CCC(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)CC1 ZINC000097079795 563967194 /nfs/dbraw/zinc/96/71/94/563967194.db2.gz VJAKTDBACJZWOY-UHFFFAOYSA-N 1 2 337.634 3.633 50 0 EHAALO Cc1ccc(C2(C(=O)N3CCCC[C@H]3CCn3cc[nH+]c3)CC2)cc1 ZINC000082097474 563972182 /nfs/dbraw/zinc/97/21/82/563972182.db2.gz QNTPBTSDPNNBFL-IBGZPJMESA-N 1 2 337.467 3.695 50 0 EHAALO Cc1ccc(-n2ccnc2-c2ccccc2OCCn2cc[nH+]c2)cn1 ZINC000082157731 563972783 /nfs/dbraw/zinc/97/27/83/563972783.db2.gz ZXYMQFWBURBMAF-UHFFFAOYSA-N 1 2 345.406 3.518 50 0 EHAALO O=C(c1ccc(F)cc1F)c1ccccc1C[NH+]1CCSCC1 ZINC000085651701 563973933 /nfs/dbraw/zinc/97/39/33/563973933.db2.gz KNIASCGKZGDXEJ-UHFFFAOYSA-N 1 2 333.403 3.745 50 0 EHAALO Cn1cc[nH+]c1-c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000072287414 563976090 /nfs/dbraw/zinc/97/60/90/563976090.db2.gz UIJFMOPUXCRFQP-UHFFFAOYSA-N 1 2 343.333 3.941 50 0 EHAALO O=C(/C=C/c1ccccc1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095509845 563977221 /nfs/dbraw/zinc/97/72/21/563977221.db2.gz FGLZRVLVERLSKA-GNISGLHKSA-N 1 2 335.451 3.713 50 0 EHAALO Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)c(C)[nH+]1 ZINC000096163105 563979907 /nfs/dbraw/zinc/97/99/07/563979907.db2.gz YFCXUTLFMRMFSU-RTBURBONSA-N 1 2 339.439 3.958 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@H]1CCCC(F)(F)C1 ZINC000328586273 563983945 /nfs/dbraw/zinc/98/39/45/563983945.db2.gz NDZVITNYCDSMCI-UONOGXRCSA-N 1 2 325.403 3.782 50 0 EHAALO C[C@@H]1CN(C)c2ccccc2N(Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000252508411 563997880 /nfs/dbraw/zinc/99/78/80/563997880.db2.gz XNATWFAMOBEULD-QGZVFWFLSA-N 1 2 336.483 3.774 50 0 EHAALO COCc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000018048371 564017812 /nfs/dbraw/zinc/01/78/12/564017812.db2.gz WTRGFYQLWTWWPE-OAHLLOKOSA-N 1 2 335.407 3.510 50 0 EHAALO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(C)=O)cc3n2)cc1 ZINC000000588422 564025198 /nfs/dbraw/zinc/02/51/98/564025198.db2.gz ZPMZIATWQQEERS-UHFFFAOYSA-N 1 2 337.427 3.534 50 0 EHAALO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@H]1c1cccs1 ZINC000106829019 564026638 /nfs/dbraw/zinc/02/66/38/564026638.db2.gz WNLHWHLRKZEYBW-HOTGVXAUSA-N 1 2 341.480 3.723 50 0 EHAALO c1coc(-c2nnc(C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)o2)c1 ZINC000044871436 564027255 /nfs/dbraw/zinc/02/72/55/564027255.db2.gz OBWHBZMVACRWJK-ZDUSSCGKSA-N 1 2 345.424 3.572 50 0 EHAALO c1coc(-c2nnc(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)o2)c1 ZINC000044871436 564027256 /nfs/dbraw/zinc/02/72/56/564027256.db2.gz OBWHBZMVACRWJK-ZDUSSCGKSA-N 1 2 345.424 3.572 50 0 EHAALO c1cc([C@@H]2CCC[N@H+]2Cc2csc(-c3ncccn3)n2)cs1 ZINC000044975357 564027918 /nfs/dbraw/zinc/02/79/18/564027918.db2.gz AOYAYHYNEKSHMK-AWEZNQCLSA-N 1 2 328.466 3.999 50 0 EHAALO c1cc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ncccn3)n2)cs1 ZINC000044975357 564027919 /nfs/dbraw/zinc/02/79/19/564027919.db2.gz AOYAYHYNEKSHMK-AWEZNQCLSA-N 1 2 328.466 3.999 50 0 EHAALO Cc1ccc([C@H](C)NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)o1 ZINC000044966661 564027934 /nfs/dbraw/zinc/02/79/34/564027934.db2.gz OYGKFLBIDVHZKX-HNNXBMFYSA-N 1 2 342.443 3.534 50 0 EHAALO C[N@H+](CC(=O)Nc1ccccc1)Cc1c(Cl)ccc2cccnc21 ZINC000048366230 564031525 /nfs/dbraw/zinc/03/15/25/564031525.db2.gz AIQDLXXOBARMQX-UHFFFAOYSA-N 1 2 339.826 3.959 50 0 EHAALO C[N@@H+](CC(=O)Nc1ccccc1)Cc1c(Cl)ccc2cccnc21 ZINC000048366230 564031526 /nfs/dbraw/zinc/03/15/26/564031526.db2.gz AIQDLXXOBARMQX-UHFFFAOYSA-N 1 2 339.826 3.959 50 0 EHAALO CC(C)(C)OCC[N@H+](Cc1ccccc1C(F)(F)F)C1COC1 ZINC000225613743 564048422 /nfs/dbraw/zinc/04/84/22/564048422.db2.gz SXNIWUQTGWFCBE-UHFFFAOYSA-N 1 2 331.378 3.721 50 0 EHAALO CC(C)(C)OCC[N@@H+](Cc1ccccc1C(F)(F)F)C1COC1 ZINC000225613743 564048423 /nfs/dbraw/zinc/04/84/23/564048423.db2.gz SXNIWUQTGWFCBE-UHFFFAOYSA-N 1 2 331.378 3.721 50 0 EHAALO CC(C)n1ccc(C[N@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)n1 ZINC000239352116 564051589 /nfs/dbraw/zinc/05/15/89/564051589.db2.gz ABCNLPOWSXEZBN-NJAFHUGGSA-N 1 2 347.503 3.939 50 0 EHAALO CC(C)n1ccc(C[N@@H+]2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)n1 ZINC000239352116 564051590 /nfs/dbraw/zinc/05/15/90/564051590.db2.gz ABCNLPOWSXEZBN-NJAFHUGGSA-N 1 2 347.503 3.939 50 0 EHAALO O=C(NCc1[nH+]ccn1CCCc1ccccc1)c1cccs1 ZINC000081942583 564053290 /nfs/dbraw/zinc/05/32/90/564053290.db2.gz UQAXZSOXGGKMKG-UHFFFAOYSA-N 1 2 325.437 3.507 50 0 EHAALO COc1ccc(C[N@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC000012595945 564060274 /nfs/dbraw/zinc/06/02/74/564060274.db2.gz AEBQEYOFOVRDJQ-UHFFFAOYSA-N 1 2 342.468 3.531 50 0 EHAALO COc1ccc(C[N@@H+](C)Cc2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC000012595945 564060275 /nfs/dbraw/zinc/06/02/75/564060275.db2.gz AEBQEYOFOVRDJQ-UHFFFAOYSA-N 1 2 342.468 3.531 50 0 EHAALO O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000299770215 564060806 /nfs/dbraw/zinc/06/08/06/564060806.db2.gz NZHNUPHUJCNONP-GFCCVEGCSA-N 1 2 336.798 3.620 50 0 EHAALO Cc1cc(N2CCN(C(=O)C3CCCCC3)CC2)[nH+]c2ccccc12 ZINC000084114830 564066704 /nfs/dbraw/zinc/06/67/04/564066704.db2.gz ANMYXHXLXDTYIR-UHFFFAOYSA-N 1 2 337.467 3.772 50 0 EHAALO O=C(Nc1ccc2c(c1)C(=O)CCC2)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000084489886 564068230 /nfs/dbraw/zinc/06/82/30/564068230.db2.gz SYTBDZXHFGEFKF-MRXNPFEDSA-N 1 2 338.411 3.688 50 0 EHAALO CCN(Cc1ccc(O)cc1)c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000084777462 564070182 /nfs/dbraw/zinc/07/01/82/564070182.db2.gz ILNGZSQLWUCMIX-UHFFFAOYSA-N 1 2 345.406 3.548 50 0 EHAALO Cn1cnn(C[N@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1=S ZINC000012809111 564072625 /nfs/dbraw/zinc/07/26/25/564072625.db2.gz CDYLRVSBWJOQIP-KRWDZBQOSA-N 1 2 342.443 3.769 50 0 EHAALO Cn1cnn(C[N@@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1=S ZINC000012809111 564072626 /nfs/dbraw/zinc/07/26/26/564072626.db2.gz CDYLRVSBWJOQIP-KRWDZBQOSA-N 1 2 342.443 3.769 50 0 EHAALO COc1cccc(OC)c1OC1CC[NH+](Cc2nc(C)cs2)CC1 ZINC000088578361 564079609 /nfs/dbraw/zinc/07/96/09/564079609.db2.gz KORAGOKIACSRCK-UHFFFAOYSA-N 1 2 348.468 3.512 50 0 EHAALO CCn1cc[nH+]c1CNc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000089310021 564089638 /nfs/dbraw/zinc/08/96/38/564089638.db2.gz QRILDNIWBDJHHP-UHFFFAOYSA-N 1 2 342.443 3.813 50 0 EHAALO Cc1cc(NC(=O)[C@@H]2CCCc3n[nH]cc32)ccc1Oc1cc[nH+]cc1 ZINC000192588189 564092087 /nfs/dbraw/zinc/09/20/87/564092087.db2.gz QRNMNHPNKLHQFZ-MRXNPFEDSA-N 1 2 348.406 3.964 50 0 EHAALO Cc1[nH]c2ccc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)cc2c1C ZINC000064620860 564094485 /nfs/dbraw/zinc/09/44/85/564094485.db2.gz RQFRYKRMUYZBQD-GOSISDBHSA-N 1 2 338.455 3.826 50 0 EHAALO CC(C)C(=O)N(Cc1[nH+]ccn1Cc1cccc(Cl)c1)CC1CC1 ZINC000006689981 564095849 /nfs/dbraw/zinc/09/58/49/564095849.db2.gz INFYVHUCTBWLSS-UHFFFAOYSA-N 1 2 345.874 3.979 50 0 EHAALO CCN(CC)c1cc(CCC(=O)Nc2cc(C)ccc2OC)cc[nH+]1 ZINC000065269938 564103842 /nfs/dbraw/zinc/10/38/42/564103842.db2.gz ZAYVOIHXHWLQMF-UHFFFAOYSA-N 1 2 341.455 3.816 50 0 EHAALO c1csc([C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)c2ncc[nH]2)c1 ZINC000252509421 564120001 /nfs/dbraw/zinc/12/00/01/564120001.db2.gz YNQYZVFPSIIIIF-KRWDZBQOSA-N 1 2 340.452 3.677 50 0 EHAALO Cc1cc2[nH+]c(Cc3ccccc3)n(CC(=O)N3CCCC3)c2cc1C ZINC000037398831 564121225 /nfs/dbraw/zinc/12/12/25/564121225.db2.gz ZPEGDZKXHYRHQR-UHFFFAOYSA-N 1 2 347.462 3.866 50 0 EHAALO Nc1cccc(CSc2nnc(NCCc3cccs3)s2)[nH+]1 ZINC000194528484 564121545 /nfs/dbraw/zinc/12/15/45/564121545.db2.gz PSXARLKWHLQSFK-UHFFFAOYSA-N 1 2 349.510 3.524 50 0 EHAALO Cc1[nH]c(-c2cccc(C(=O)N(C)CC[C@H]3CCCCO3)c2)c(C)[nH+]1 ZINC000584901049 564131740 /nfs/dbraw/zinc/13/17/40/564131740.db2.gz ANWHNCWEKZGVBD-GOSISDBHSA-N 1 2 341.455 3.725 50 0 EHAALO Cc1ccc([C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)o1 ZINC000093864758 564138061 /nfs/dbraw/zinc/13/80/61/564138061.db2.gz RXHHQIAAYFFJAY-OAHLLOKOSA-N 1 2 329.425 3.613 50 0 EHAALO Cc1ccc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)o1 ZINC000093864758 564138062 /nfs/dbraw/zinc/13/80/62/564138062.db2.gz RXHHQIAAYFFJAY-OAHLLOKOSA-N 1 2 329.425 3.613 50 0 EHAALO CSc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000095962303 564142792 /nfs/dbraw/zinc/14/27/92/564142792.db2.gz DIGVRRMFDCDYBT-LLVKDONJSA-N 1 2 334.420 3.682 50 0 EHAALO Cc1cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OC(C)C ZINC000095962298 564142796 /nfs/dbraw/zinc/14/27/96/564142796.db2.gz VVZCOQLAZTZFPO-HNNXBMFYSA-N 1 2 342.443 3.917 50 0 EHAALO C[C@@H]([NH2+]Cc1csc([C@@H]2CCCO2)n1)c1ccc2c(c1)OCCO2 ZINC000095984274 564143849 /nfs/dbraw/zinc/14/38/49/564143849.db2.gz BUNDBLXGKLNYFN-WBMJQRKESA-N 1 2 346.452 3.617 50 0 EHAALO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1cccc(N2CCCC2=O)c1 ZINC000095984694 564143906 /nfs/dbraw/zinc/14/39/06/564143906.db2.gz PPZKAHAEOLUMEX-CQSZACIVSA-N 1 2 341.455 3.950 50 0 EHAALO O=C(N[C@H]1CCc2[nH+]ccn2C1)c1sc2cc(F)ccc2c1Cl ZINC000097197351 564149524 /nfs/dbraw/zinc/14/95/24/564149524.db2.gz VBIIFRKZRINVFS-JTQLQIEISA-N 1 2 349.818 3.635 50 0 EHAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000031314005 564159302 /nfs/dbraw/zinc/15/93/02/564159302.db2.gz QKHNQNJDPLYFLJ-UHFFFAOYSA-N 1 2 349.356 3.631 50 0 EHAALO Cc1ncc2c(n1)C[N@@H+](Cc1cc(-c3ccc(Cl)cc3)no1)CC2 ZINC000069451732 564169576 /nfs/dbraw/zinc/16/95/76/564169576.db2.gz OTWPJFDLRGARGQ-UHFFFAOYSA-N 1 2 340.814 3.652 50 0 EHAALO Cc1ncc2c(n1)C[N@H+](Cc1cc(-c3ccc(Cl)cc3)no1)CC2 ZINC000069451732 564169577 /nfs/dbraw/zinc/16/95/77/564169577.db2.gz OTWPJFDLRGARGQ-UHFFFAOYSA-N 1 2 340.814 3.652 50 0 EHAALO O=C(c1cc(C2CC2)nc2ccccc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069661892 564171337 /nfs/dbraw/zinc/17/13/37/564171337.db2.gz MYHVZWJLWNLYLQ-MRXNPFEDSA-N 1 2 346.434 3.786 50 0 EHAALO O=C(c1cc2c(cccc2F)s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069917621 564172773 /nfs/dbraw/zinc/17/27/73/564172773.db2.gz REWHHHHOIMIIIW-GFCCVEGCSA-N 1 2 329.400 3.714 50 0 EHAALO Cc1ccc([C@H](c2sc3nc(C)nn3c2O)[NH+]2CCCCCC2)o1 ZINC000041637145 564174230 /nfs/dbraw/zinc/17/42/30/564174230.db2.gz VXPMXAJUPSOCOU-CQSZACIVSA-N 1 2 346.456 3.672 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCN(C(=O)c2ccc(C)nc2)C1 ZINC000581808397 1035618687 /nfs/dbraw/zinc/61/86/87/1035618687.db2.gz TXRQSJPAYRSHGW-IBGZPJMESA-N 1 2 346.434 3.649 50 0 EHAALO Cc1c[nH+]c([C@H]2CCN(C(=O)CC(C)C)C2)n1Cc1ccccc1 ZINC000581815916 1038700734 /nfs/dbraw/zinc/70/07/34/1038700734.db2.gz KOCKJBATZGWUIZ-SFHVURJKSA-N 1 2 325.456 3.602 50 0 EHAALO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc2ccccc2n1 ZINC000182888540 1125388073 /nfs/dbraw/zinc/38/80/73/1125388073.db2.gz PBFHHUGKDOJZRI-OAHLLOKOSA-N 1 2 334.423 3.640 50 0 EHAALO COc1cc(-c2noc(C[N@@H+]3CCCc4occc4C3)n2)ccc1C ZINC000585083951 1136971539 /nfs/dbraw/zinc/97/15/39/1136971539.db2.gz VNUDUNTVFPIDTP-UHFFFAOYSA-N 1 2 339.395 3.595 50 0 EHAALO COc1cc(-c2noc(C[N@H+]3CCCc4occc4C3)n2)ccc1C ZINC000585083951 1136971540 /nfs/dbraw/zinc/97/15/40/1136971540.db2.gz VNUDUNTVFPIDTP-UHFFFAOYSA-N 1 2 339.395 3.595 50 0 EHAALO C[C@H](c1cc(F)ccc1F)[N@H+](C)CC(=O)N1CCc2ccccc21 ZINC000052074813 214116660 /nfs/dbraw/zinc/11/66/60/214116660.db2.gz PJPGCCGFQMSSHV-CYBMUJFWSA-N 1 2 330.378 3.547 50 0 EHAALO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC(=O)N1CCc2ccccc21 ZINC000052074813 214116662 /nfs/dbraw/zinc/11/66/62/214116662.db2.gz PJPGCCGFQMSSHV-CYBMUJFWSA-N 1 2 330.378 3.547 50 0 EHAALO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2cnc(N3CCCC3)s2)no1 ZINC000097655553 219044261 /nfs/dbraw/zinc/04/42/61/219044261.db2.gz AFJISPRZGCRBKV-INIZCTEOSA-N 1 2 332.473 3.767 50 0 EHAALO Cc1cc([C@@H]2CCCC[N@H+]2Cc2cnc(N3CCCC3)s2)no1 ZINC000097655553 219044263 /nfs/dbraw/zinc/04/42/63/219044263.db2.gz AFJISPRZGCRBKV-INIZCTEOSA-N 1 2 332.473 3.767 50 0 EHAALO Cc1cccc(C2(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2)c1 ZINC000053061275 214162265 /nfs/dbraw/zinc/16/22/65/214162265.db2.gz UICDUGKEGYKRFT-UHFFFAOYSA-N 1 2 345.446 3.588 50 0 EHAALO COc1ccc([C@@H]2CC(=O)[C@@H](C)[C@@H](c3ccc(OC)cc3)[NH2+]2)cc1 ZINC000055433735 214323062 /nfs/dbraw/zinc/32/30/62/214323062.db2.gz LUPLWIXSMMGDLK-MJWYBRSISA-N 1 2 325.408 3.685 50 0 EHAALO CC(=O)O[C@H](COc1ccccc1)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000003615890 210065699 /nfs/dbraw/zinc/06/56/99/210065699.db2.gz PUUAMONTBMYWJK-SFHVURJKSA-N 1 2 338.407 3.664 50 0 EHAALO CC(=O)c1cccc(NC(=O)[C@@H]([NH2+]Cc2ccco2)c2ccccc2)c1 ZINC000003453892 210044736 /nfs/dbraw/zinc/04/47/36/210044736.db2.gz KPXACSGBXHNGTH-FQEVSTJZSA-N 1 2 348.402 3.952 50 0 EHAALO c1cn(CCCn2cc[nH+]c2)c(-c2ccc([C@@H]3CCCCO3)o2)n1 ZINC000067740200 215199413 /nfs/dbraw/zinc/19/94/13/215199413.db2.gz FSTTZGPBSRKDOA-HNNXBMFYSA-N 1 2 326.400 3.672 50 0 EHAALO CSCC[C@H]1c2[nH]cnc2CC[N@H+]1Cc1ccnc2ccccc12 ZINC000067786103 215211531 /nfs/dbraw/zinc/21/15/31/215211531.db2.gz OUDMYGHCJLCDGM-SFHVURJKSA-N 1 2 338.480 3.810 50 0 EHAALO CSCC[C@H]1c2[nH]cnc2CC[N@@H+]1Cc1ccnc2ccccc12 ZINC000067786103 215211533 /nfs/dbraw/zinc/21/15/33/215211533.db2.gz OUDMYGHCJLCDGM-SFHVURJKSA-N 1 2 338.480 3.810 50 0 EHAALO CCCc1ccc(CN2CCc3[nH+]c[nH]c3[C@H]2c2cccc(O)c2)o1 ZINC000067805045 215216878 /nfs/dbraw/zinc/21/68/78/215216878.db2.gz HSXYRQILMOENEF-HXUWFJFHSA-N 1 2 337.423 3.809 50 0 EHAALO CN1CC[NH+](Cc2ccccc2Oc2nccc3ccccc32)CC1 ZINC000067878139 215238152 /nfs/dbraw/zinc/23/81/52/215238152.db2.gz DMPTUDIDKSELJF-UHFFFAOYSA-N 1 2 333.435 3.775 50 0 EHAALO c1nc(C[N@@H+]2CCc3[nH]nc(-c4cccc5ccccc54)c3C2)c[nH]1 ZINC000067881272 215239170 /nfs/dbraw/zinc/23/91/70/215239170.db2.gz XDXFRAZEOAAEHZ-UHFFFAOYSA-N 1 2 329.407 3.511 50 0 EHAALO c1nc(C[N@H+]2CCc3[nH]nc(-c4cccc5ccccc54)c3C2)c[nH]1 ZINC000067881272 215239173 /nfs/dbraw/zinc/23/91/73/215239173.db2.gz XDXFRAZEOAAEHZ-UHFFFAOYSA-N 1 2 329.407 3.511 50 0 EHAALO Cc1nc(C(C)C)sc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000040523638 213335100 /nfs/dbraw/zinc/33/51/00/213335100.db2.gz FMXAUNPGBAOQLQ-UHFFFAOYSA-N 1 2 344.484 3.500 50 0 EHAALO COC(=O)c1oc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1C ZINC000040153712 213275129 /nfs/dbraw/zinc/27/51/29/213275129.db2.gz FGEUHTAYNGPPLD-MRXNPFEDSA-N 1 2 349.814 3.602 50 0 EHAALO COC(=O)c1oc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1C ZINC000040153712 213275132 /nfs/dbraw/zinc/27/51/32/213275132.db2.gz FGEUHTAYNGPPLD-MRXNPFEDSA-N 1 2 349.814 3.602 50 0 EHAALO CCn1cc[nH+]c1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000072170335 216062107 /nfs/dbraw/zinc/06/21/07/216062107.db2.gz IUPDXDIKZJALOD-UHFFFAOYSA-N 1 2 339.270 3.532 50 0 EHAALO COc1ccc2c(c1)[nH+]ccc2OCc1cccc(C(=O)N(C)C)c1 ZINC000072296223 216133648 /nfs/dbraw/zinc/13/36/48/216133648.db2.gz XFUZNAHXNRDKSH-UHFFFAOYSA-N 1 2 336.391 3.524 50 0 EHAALO CCc1noc(CCn2cc[nH+]c2-c2ccc(OC)c3ccccc23)n1 ZINC000072421741 216210046 /nfs/dbraw/zinc/21/00/46/216210046.db2.gz JDTNPSKLRLFLIL-UHFFFAOYSA-N 1 2 348.406 3.900 50 0 EHAALO CCNC(=O)c1c2ccccc2nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000072510590 216265560 /nfs/dbraw/zinc/26/55/60/216265560.db2.gz KZDVWLJJMLYEHI-UHFFFAOYSA-N 1 2 345.446 3.543 50 0 EHAALO CCNC(=O)c1c2ccccc2nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000072510590 216265562 /nfs/dbraw/zinc/26/55/62/216265562.db2.gz KZDVWLJJMLYEHI-UHFFFAOYSA-N 1 2 345.446 3.543 50 0 EHAALO O=C(c1ccc2c(c1)CCCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736646 212393480 /nfs/dbraw/zinc/39/34/80/212393480.db2.gz IVZSUFXUGFDJIM-UHFFFAOYSA-N 1 2 340.492 3.585 50 0 EHAALO Cc1sc2ncnc(NCc3ccc(-n4cc[nH+]c4)nc3)c2c1C ZINC000022318843 212289595 /nfs/dbraw/zinc/28/95/95/212289595.db2.gz ONKXVPARIHBXIS-UHFFFAOYSA-N 1 2 336.424 3.501 50 0 EHAALO Cc1nccc(C2CC[NH+](Cc3c(Cl)cncc3Cl)CC2)n1 ZINC000216069345 241163856 /nfs/dbraw/zinc/16/38/56/241163856.db2.gz LUZSACSWCYLVAZ-UHFFFAOYSA-N 1 2 337.254 3.866 50 0 EHAALO Cc1nc2ccc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)cc2s1 ZINC000215369039 241123351 /nfs/dbraw/zinc/12/33/51/241123351.db2.gz JSPSIMMJFHTQFU-MRXNPFEDSA-N 1 2 342.468 3.646 50 0 EHAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(CC)cc1 ZINC000021659890 212237659 /nfs/dbraw/zinc/23/76/59/212237659.db2.gz KXRQCNXBIRQWPV-QGZVFWFLSA-N 1 2 338.451 3.991 50 0 EHAALO CSc1cc(C)ccc1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000242140831 243010033 /nfs/dbraw/zinc/01/00/33/243010033.db2.gz WPPGPWKNFPYLCY-UHFFFAOYSA-N 1 2 344.484 3.529 50 0 EHAALO CSc1cc(C)ccc1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000242140831 243010041 /nfs/dbraw/zinc/01/00/41/243010041.db2.gz WPPGPWKNFPYLCY-UHFFFAOYSA-N 1 2 344.484 3.529 50 0 EHAALO O=C(c1cc2c(s1)CCCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000020606453 212154025 /nfs/dbraw/zinc/15/40/25/212154025.db2.gz CDMPSJVTLOEOJE-UHFFFAOYSA-N 1 2 346.521 3.646 50 0 EHAALO Cc1cc(C)cc(NC(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000020345353 212121335 /nfs/dbraw/zinc/12/13/35/212121335.db2.gz UMDCPYWZQYZIDF-UHFFFAOYSA-N 1 2 341.430 3.792 50 0 EHAALO O=C(c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019831919 212073126 /nfs/dbraw/zinc/07/31/26/212073126.db2.gz IDRPSIHEINLWQU-UHFFFAOYSA-N 1 2 349.261 3.951 50 0 EHAALO Cc1cc(C)c(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000013153560 211531705 /nfs/dbraw/zinc/53/17/05/211531705.db2.gz OKXJVJAKOAJGBF-OKILXGFUSA-N 1 2 342.277 3.554 50 0 EHAALO Cc1cc(C)c(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000013153560 211531708 /nfs/dbraw/zinc/53/17/08/211531708.db2.gz OKXJVJAKOAJGBF-OKILXGFUSA-N 1 2 342.277 3.554 50 0 EHAALO O=C(C[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1[nH]cc[nH+]1 ZINC000012447593 211386548 /nfs/dbraw/zinc/38/65/48/211386548.db2.gz PDZHDVBQORINCM-KRWDZBQOSA-N 1 2 339.826 3.902 50 0 EHAALO Cc1c2cc(C)cc(Cl)c2oc1C(=O)N(C)Cc1[nH+]ccn1C ZINC000012433292 211380724 /nfs/dbraw/zinc/38/07/24/211380724.db2.gz MMFWTTYZNANXBW-UHFFFAOYSA-N 1 2 331.803 3.709 50 0 EHAALO CCn1ccnc1C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000012434127 211379754 /nfs/dbraw/zinc/37/97/54/211379754.db2.gz ICMUAWKBLMDMRK-QGZVFWFLSA-N 1 2 333.439 3.527 50 0 EHAALO Cc1oc(-c2cccs2)nc1C[N@H+](CCO)Cc1cccs1 ZINC000012049565 211283132 /nfs/dbraw/zinc/28/31/32/211283132.db2.gz JPKJPVGMKKWJIA-UHFFFAOYSA-N 1 2 334.466 3.768 50 0 EHAALO Cc1oc(-c2cccs2)nc1C[N@@H+](CCO)Cc1cccs1 ZINC000012049565 211283138 /nfs/dbraw/zinc/28/31/38/211283138.db2.gz JPKJPVGMKKWJIA-UHFFFAOYSA-N 1 2 334.466 3.768 50 0 EHAALO OCc1ccc(C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)o1 ZINC000095415614 218353731 /nfs/dbraw/zinc/35/37/31/218353731.db2.gz KNVSGAHSLRANTC-SFHVURJKSA-N 1 2 328.799 3.700 50 0 EHAALO Brc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000055543514 532962609 /nfs/dbraw/zinc/96/26/09/532962609.db2.gz WRAPDKOLIXFVMT-UHFFFAOYSA-N 1 2 331.257 3.771 50 0 EHAALO Cc1occc1-c1nnc(NCc2c[nH+]c(C)n2-c2ccccc2)o1 ZINC000097375674 219018153 /nfs/dbraw/zinc/01/81/53/219018153.db2.gz JWOFIYZRTHBSKX-UHFFFAOYSA-N 1 2 335.367 3.744 50 0 EHAALO Cc1ccc(-c2cn(CC(=O)c3ccc(Cl)cc3)c(=[NH2+])n2C)cc1 ZINC000334157493 258004914 /nfs/dbraw/zinc/00/49/14/258004914.db2.gz BRXSVKUHZCPQJK-UHFFFAOYSA-N 1 2 339.826 3.818 50 0 EHAALO Cc1c(-c2ccccc2)nn2c1nc(C)cc2NCCCn1cc[nH+]c1 ZINC000040216640 258059720 /nfs/dbraw/zinc/05/97/20/258059720.db2.gz JLGWXQKWNDRQII-UHFFFAOYSA-N 1 2 346.438 3.712 50 0 EHAALO Cc1nc(N2CCC(OCc3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000180422581 534621476 /nfs/dbraw/zinc/62/14/76/534621476.db2.gz WHRWWEKZTGFCCE-UHFFFAOYSA-N 1 2 337.467 3.849 50 0 EHAALO CCOc1cc(C)ccc1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000129052898 528241167 /nfs/dbraw/zinc/24/11/67/528241167.db2.gz VBVNJJWXLUAIFQ-MRXNPFEDSA-N 1 2 342.443 3.554 50 0 EHAALO Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000014020486 563735939 /nfs/dbraw/zinc/73/59/39/563735939.db2.gz RDCWZZXUMVKKQW-KRWDZBQOSA-N 1 2 348.450 3.640 50 0 EHAALO Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000014020486 563735942 /nfs/dbraw/zinc/73/59/42/563735942.db2.gz RDCWZZXUMVKKQW-KRWDZBQOSA-N 1 2 348.450 3.640 50 0 EHAALO Clc1ccccc1-c1nnc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000015254109 563780788 /nfs/dbraw/zinc/78/07/88/563780788.db2.gz QTTDECXASXAKAH-UHFFFAOYSA-N 1 2 325.799 3.948 50 0 EHAALO Clc1ccccc1-c1nnc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000015254109 563780791 /nfs/dbraw/zinc/78/07/91/563780791.db2.gz QTTDECXASXAKAH-UHFFFAOYSA-N 1 2 325.799 3.948 50 0 EHAALO C[C@H](NC(=O)C[N@H+](Cc1ccco1)Cc1cccs1)c1ccco1 ZINC000015299567 563781315 /nfs/dbraw/zinc/78/13/15/563781315.db2.gz YTSMEZNRUVVOFJ-AWEZNQCLSA-N 1 2 344.436 3.814 50 0 EHAALO C[C@H](NC(=O)C[N@@H+](Cc1ccco1)Cc1cccs1)c1ccco1 ZINC000015299567 563781319 /nfs/dbraw/zinc/78/13/19/563781319.db2.gz YTSMEZNRUVVOFJ-AWEZNQCLSA-N 1 2 344.436 3.814 50 0 EHAALO Cc1c(C)c(=O)oc2c1cc(Cl)c1c2CN(c2cccc[nH+]2)CO1 ZINC000020548318 563859413 /nfs/dbraw/zinc/85/94/13/563859413.db2.gz RHSLGXUAQXIDJW-UHFFFAOYSA-N 1 2 342.782 3.815 50 0 EHAALO O=c1[nH]c(C[N@@H+]2CCC[C@H]2c2ccccc2)nc2cc(Cl)ccc21 ZINC000024014410 563868220 /nfs/dbraw/zinc/86/82/20/563868220.db2.gz SWXUFZDJDFARDJ-KRWDZBQOSA-N 1 2 339.826 3.914 50 0 EHAALO O=c1[nH]c(C[N@H+]2CCC[C@H]2c2ccccc2)nc2cc(Cl)ccc21 ZINC000024014410 563868223 /nfs/dbraw/zinc/86/82/23/563868223.db2.gz SWXUFZDJDFARDJ-KRWDZBQOSA-N 1 2 339.826 3.914 50 0 EHAALO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+](C)Cc1ccc(F)cc1F ZINC000025531522 563885791 /nfs/dbraw/zinc/88/57/91/563885791.db2.gz UMCSVIQRWXTSIJ-CQSZACIVSA-N 1 2 344.405 3.765 50 0 EHAALO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccc(F)cc1F ZINC000025531522 563885795 /nfs/dbraw/zinc/88/57/95/563885795.db2.gz UMCSVIQRWXTSIJ-CQSZACIVSA-N 1 2 344.405 3.765 50 0 EHAALO COc1ccc2oc(C(=O)Nc3ccc4[nH+]c(C)cn4c3)c(C)c2c1 ZINC000058406096 563944987 /nfs/dbraw/zinc/94/49/87/563944987.db2.gz MSCKMATYFLZNQH-UHFFFAOYSA-N 1 2 335.363 3.958 50 0 EHAALO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000058407201 563945164 /nfs/dbraw/zinc/94/51/64/563945164.db2.gz LAUPDRSAIGFCRY-UHFFFAOYSA-N 1 2 338.238 3.596 50 0 EHAALO Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000096415010 563951106 /nfs/dbraw/zinc/95/11/06/563951106.db2.gz QPTKPFUNRZSHSE-CQSZACIVSA-N 1 2 333.457 3.625 50 0 EHAALO Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N(C)c2nccs2)o1 ZINC000096415010 563951107 /nfs/dbraw/zinc/95/11/07/563951107.db2.gz QPTKPFUNRZSHSE-CQSZACIVSA-N 1 2 333.457 3.625 50 0 EHAALO Cc1ccsc1C[N@@H+](Cc1nnc(-c2ccc(C)n2C)o1)C1CC1 ZINC000065457306 563961141 /nfs/dbraw/zinc/96/11/41/563961141.db2.gz CUZYWRGGUJXWQI-UHFFFAOYSA-N 1 2 342.468 3.918 50 0 EHAALO Cc1ccsc1C[N@H+](Cc1nnc(-c2ccc(C)n2C)o1)C1CC1 ZINC000065457306 563961143 /nfs/dbraw/zinc/96/11/43/563961143.db2.gz CUZYWRGGUJXWQI-UHFFFAOYSA-N 1 2 342.468 3.918 50 0 EHAALO C[C@H](c1[nH+]ccn1Cc1nc(-c2cccnc2)no1)c1ccccc1 ZINC000071551623 563964552 /nfs/dbraw/zinc/96/45/52/563964552.db2.gz BTMBFXZSOPWNEA-AWEZNQCLSA-N 1 2 331.379 3.528 50 0 EHAALO Cc1ccc(-c2ccnc(N[C@H](c3[nH+]ccn3C)C(C)C)n2)c(C)n1 ZINC000071754131 563965216 /nfs/dbraw/zinc/96/52/16/563965216.db2.gz IXKNTTLSPMKKID-KRWDZBQOSA-N 1 2 336.443 3.698 50 0 EHAALO c1cn(Cc2nc(-c3ccccc3OCc3ccccc3)no2)c[nH+]1 ZINC000097164393 563968509 /nfs/dbraw/zinc/96/85/09/563968509.db2.gz OMIXHOZXZJZJSY-UHFFFAOYSA-N 1 2 332.363 3.560 50 0 EHAALO CC(C)c1noc([C@@H]2CCC[N@@H+]2Cc2ccc3nsnc3c2)n1 ZINC000077504924 563970008 /nfs/dbraw/zinc/97/00/08/563970008.db2.gz LLRDEPQTEQSVSZ-AWEZNQCLSA-N 1 2 329.429 3.535 50 0 EHAALO CC(C)c1noc([C@@H]2CCC[N@H+]2Cc2ccc3nsnc3c2)n1 ZINC000077504924 563970009 /nfs/dbraw/zinc/97/00/09/563970009.db2.gz LLRDEPQTEQSVSZ-AWEZNQCLSA-N 1 2 329.429 3.535 50 0 EHAALO C[NH+](C)Cc1nc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cs1 ZINC000082107588 563972297 /nfs/dbraw/zinc/97/22/97/563972297.db2.gz DOIBNDSUXCUCCO-MRXNPFEDSA-N 1 2 347.459 3.711 50 0 EHAALO CC[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000247024613 563974564 /nfs/dbraw/zinc/97/45/64/563974564.db2.gz DJGOJVTYDJZUJA-SJCJKPOMSA-N 1 2 334.510 3.672 50 0 EHAALO CC[C@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000247024613 563974565 /nfs/dbraw/zinc/97/45/65/563974565.db2.gz DJGOJVTYDJZUJA-SJCJKPOMSA-N 1 2 334.510 3.672 50 0 EHAALO COc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)ccc1F ZINC000095507333 563977188 /nfs/dbraw/zinc/97/71/88/563977188.db2.gz UDUTZVRXQIHGJI-HNNXBMFYSA-N 1 2 345.418 3.632 50 0 EHAALO O=C(c1ccccc1Cl)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095508321 563977191 /nfs/dbraw/zinc/97/71/91/563977191.db2.gz IICMGJBNOJQNMB-HNNXBMFYSA-N 1 2 343.858 3.966 50 0 EHAALO CSc1ncccc1C(=O)N1CCC(c2[nH+]ccn2C(C)C)CC1 ZINC000095531052 563977565 /nfs/dbraw/zinc/97/75/65/563977565.db2.gz JUBKOHAGNILUAK-UHFFFAOYSA-N 1 2 344.484 3.601 50 0 EHAALO Cc1[nH]ccc1C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000176457262 563995048 /nfs/dbraw/zinc/99/50/48/563995048.db2.gz IGKCWRIEUVGZQG-UHFFFAOYSA-N 1 2 340.452 3.664 50 0 EHAALO Cc1[nH]ccc1C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000176457262 563995049 /nfs/dbraw/zinc/99/50/49/563995049.db2.gz IGKCWRIEUVGZQG-UHFFFAOYSA-N 1 2 340.452 3.664 50 0 EHAALO FC(F)(F)c1ccc(SCc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000188191769 564001893 /nfs/dbraw/zinc/00/18/93/564001893.db2.gz RADZUMXQCIGYRF-UHFFFAOYSA-N 1 2 336.342 3.973 50 0 EHAALO O=C(Cc1ccc2ccccc2c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046618534 564002100 /nfs/dbraw/zinc/00/21/00/564002100.db2.gz IVAIHMXKHVBVIH-UHFFFAOYSA-N 1 2 345.446 3.563 50 0 EHAALO CCCNc1cc(-n2ncc(C(C)=O)c2C)nc(-c2ccccc2)[nH+]1 ZINC000005421579 564003803 /nfs/dbraw/zinc/00/38/03/564003803.db2.gz DKKUDVGBWJNLPJ-UHFFFAOYSA-N 1 2 335.411 3.662 50 0 EHAALO O=S(=O)(Nc1ccc([NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000000155326 564012134 /nfs/dbraw/zinc/01/21/34/564012134.db2.gz AMRRQBJPEVEQII-UHFFFAOYSA-N 1 2 334.416 3.617 50 0 EHAALO C[C@@H]([NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1nnnn1C ZINC000189784331 564016496 /nfs/dbraw/zinc/01/64/96/564016496.db2.gz OXRLJFKKIQXDFX-QWHCGFSZSA-N 1 2 341.390 3.553 50 0 EHAALO C[C@H](c1ccccc1Cl)[N@H+](CC(=O)NCc1ccco1)C1CC1 ZINC000047257562 564026015 /nfs/dbraw/zinc/02/60/15/564026015.db2.gz DVSUBWCOPKMDHA-CYBMUJFWSA-N 1 2 332.831 3.775 50 0 EHAALO C[C@H](c1ccccc1Cl)[N@@H+](CC(=O)NCc1ccco1)C1CC1 ZINC000047257562 564026016 /nfs/dbraw/zinc/02/60/16/564026016.db2.gz DVSUBWCOPKMDHA-CYBMUJFWSA-N 1 2 332.831 3.775 50 0 EHAALO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000045914042 564028859 /nfs/dbraw/zinc/02/88/59/564028859.db2.gz YFOSJYQKTMFDIJ-YOEHRIQHSA-N 1 2 343.471 3.874 50 0 EHAALO CC(C)c1noc([C@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000045914055 564028887 /nfs/dbraw/zinc/02/88/87/564028887.db2.gz XFAGOEMCBZRUCN-YOEHRIQHSA-N 1 2 329.444 3.700 50 0 EHAALO Cc1c2ccccc2sc1C(=O)N(Cc1[nH+]ccn1C)C1CC1 ZINC000048355311 564031453 /nfs/dbraw/zinc/03/14/53/564031453.db2.gz ZNHUMBFEKTUEHV-UHFFFAOYSA-N 1 2 325.437 3.748 50 0 EHAALO CCOc1cccc(C[NH2+][C@H](c2nccn2C)c2cccc(F)c2)c1 ZINC000048710537 564032099 /nfs/dbraw/zinc/03/20/99/564032099.db2.gz YQYWUGPHQQCZTF-IBGZPJMESA-N 1 2 339.414 3.837 50 0 EHAALO CC1=NN(c2cccc(Cl)c2)C(=O)C1=C[NH2+]Nc1cccc(C)c1 ZINC000095471026 564036042 /nfs/dbraw/zinc/03/60/42/564036042.db2.gz MESRYTIKYXAWCT-GZTJUZNOSA-N 1 2 340.814 3.872 50 0 EHAALO c1nn(Cc2ccccc2)c2nc[nH+]c(SCc3ccncc3)c12 ZINC000028895480 564047005 /nfs/dbraw/zinc/04/70/05/564047005.db2.gz KOSXPKCLTAAEGB-UHFFFAOYSA-N 1 2 333.420 3.562 50 0 EHAALO CCC[C@@H](NC(=O)N(C)Cc1cccc(SC)c1)c1[nH+]ccn1C ZINC000534659603 564061476 /nfs/dbraw/zinc/06/14/76/564061476.db2.gz GBTKDHRKEITXOF-MRXNPFEDSA-N 1 2 346.500 3.825 50 0 EHAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC000025666125 564062527 /nfs/dbraw/zinc/06/25/27/564062527.db2.gz RYFCOFRYSDNWHH-UHFFFAOYSA-N 1 2 349.478 3.764 50 0 EHAALO Cc1cccn2cc(C[S@](=O)Cc3c(F)cccc3Cl)[nH+]c12 ZINC000083944212 564065044 /nfs/dbraw/zinc/06/50/44/564065044.db2.gz GJEQSOBFEAUFJO-JOCHJYFZSA-N 1 2 336.819 3.884 50 0 EHAALO CC(C)(C)SCC(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000084240943 564067490 /nfs/dbraw/zinc/06/74/90/564067490.db2.gz BHWAKVLVNMQZOS-HNNXBMFYSA-N 1 2 329.469 3.545 50 0 EHAALO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000084661132 564069497 /nfs/dbraw/zinc/06/94/97/564069497.db2.gz YCXBXXYFKKZAJW-QGZVFWFLSA-N 1 2 332.451 3.509 50 0 EHAALO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000012858060 564075592 /nfs/dbraw/zinc/07/55/92/564075592.db2.gz IZOMCXZZAXTKEI-GFCCVEGCSA-N 1 2 343.427 3.894 50 0 EHAALO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000012858060 564075593 /nfs/dbraw/zinc/07/55/93/564075593.db2.gz IZOMCXZZAXTKEI-GFCCVEGCSA-N 1 2 343.427 3.894 50 0 EHAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(F)cccc2F)cc1 ZINC000012922992 564078412 /nfs/dbraw/zinc/07/84/12/564078412.db2.gz PXOKBHDAUQPGEI-QGZVFWFLSA-N 1 2 346.377 3.749 50 0 EHAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(F)cccc2F)cc1 ZINC000012922992 564078413 /nfs/dbraw/zinc/07/84/13/564078413.db2.gz PXOKBHDAUQPGEI-QGZVFWFLSA-N 1 2 346.377 3.749 50 0 EHAALO C[C@@H]1c2ccsc2CC[N@H+]1Cn1c(=O)oc2cc(Cl)ccc21 ZINC000012926393 564078517 /nfs/dbraw/zinc/07/85/17/564078517.db2.gz USZIMZTVHVUBEE-SNVBAGLBSA-N 1 2 334.828 3.886 50 0 EHAALO C[C@@H]1c2ccsc2CC[N@@H+]1Cn1c(=O)oc2cc(Cl)ccc21 ZINC000012926393 564078518 /nfs/dbraw/zinc/07/85/18/564078518.db2.gz USZIMZTVHVUBEE-SNVBAGLBSA-N 1 2 334.828 3.886 50 0 EHAALO CS[C@H]1CC[C@H](N(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000078966693 564080787 /nfs/dbraw/zinc/08/07/87/564080787.db2.gz ACBKZMPPSNCWCP-GJZGRUSLSA-N 1 2 329.469 3.537 50 0 EHAALO Cc1nnc(CCC[N@@H+]2C[C@H](c3ccccc3Cl)OCC2(C)C)o1 ZINC000092796692 564089058 /nfs/dbraw/zinc/08/90/58/564089058.db2.gz SDCAPRHPNRSQBA-MRXNPFEDSA-N 1 2 349.862 3.816 50 0 EHAALO Cc1nnc(CCC[N@H+]2C[C@H](c3ccccc3Cl)OCC2(C)C)o1 ZINC000092796692 564089059 /nfs/dbraw/zinc/08/90/59/564089059.db2.gz SDCAPRHPNRSQBA-MRXNPFEDSA-N 1 2 349.862 3.816 50 0 EHAALO Cc1n[nH]cc1CN(C)C(=O)c1ccc(-c2ccc(C)[nH+]c2C)cc1 ZINC000426737354 564094505 /nfs/dbraw/zinc/09/45/05/564094505.db2.gz HAOBOYDYFMQVOL-UHFFFAOYSA-N 1 2 334.423 3.669 50 0 EHAALO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnoc1-c1cccc(C)c1 ZINC000065288919 564104676 /nfs/dbraw/zinc/10/46/76/564104676.db2.gz OSHIMVLCRNGOLC-KRWDZBQOSA-N 1 2 328.412 3.568 50 0 EHAALO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cnoc1-c1cccc(C)c1 ZINC000065288919 564104677 /nfs/dbraw/zinc/10/46/77/564104677.db2.gz OSHIMVLCRNGOLC-KRWDZBQOSA-N 1 2 328.412 3.568 50 0 EHAALO COc1ccc(CNc2cc(C(F)(F)F)cc[nH+]2)cc1NC(C)=O ZINC000089962786 564115922 /nfs/dbraw/zinc/11/59/22/564115922.db2.gz QKXDJXTUXGBDJT-UHFFFAOYSA-N 1 2 339.317 3.680 50 0 EHAALO O=C(c1cc2ccccc2s1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000252480206 564119145 /nfs/dbraw/zinc/11/91/45/564119145.db2.gz BXZIYBXIJVZZQY-UHFFFAOYSA-N 1 2 338.432 3.980 50 0 EHAALO COC(=O)Nc1cccc(NCc2ccc(N(C)C(C)C)[nH+]c2)c1 ZINC000252509104 564120011 /nfs/dbraw/zinc/12/00/11/564120011.db2.gz YCNGVHIJSVPBGX-UHFFFAOYSA-N 1 2 328.416 3.717 50 0 EHAALO O=C1CCCN1Cc1cccc(CNc2ccc3ccccc3[nH+]2)c1 ZINC000301130175 564120651 /nfs/dbraw/zinc/12/06/51/564120651.db2.gz ZZRJRXMKFDGKHL-UHFFFAOYSA-N 1 2 331.419 3.969 50 0 EHAALO C[N@@H+]1CCN(C(=O)c2cnc(C(C)(C)C)s2)[C@@H](c2ccccc2)C1 ZINC000067477736 564121213 /nfs/dbraw/zinc/12/12/13/564121213.db2.gz IBMIMUWIUFLEAP-OAHLLOKOSA-N 1 2 343.496 3.570 50 0 EHAALO C[N@H+]1CCN(C(=O)c2cnc(C(C)(C)C)s2)[C@@H](c2ccccc2)C1 ZINC000067477736 564121214 /nfs/dbraw/zinc/12/12/14/564121214.db2.gz IBMIMUWIUFLEAP-OAHLLOKOSA-N 1 2 343.496 3.570 50 0 EHAALO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nnc(C(F)F)n1C ZINC000194560129 564121633 /nfs/dbraw/zinc/12/16/33/564121633.db2.gz JHQRIOGQKCUQKI-UHFFFAOYSA-N 1 2 335.383 3.539 50 0 EHAALO Cc1cc(NC(=O)C[NH+](Cc2cccs2)Cc2cccs2)no1 ZINC000007688443 564121937 /nfs/dbraw/zinc/12/19/37/564121937.db2.gz GENIESUXSBPUDT-UHFFFAOYSA-N 1 2 347.465 3.747 50 0 EHAALO Cc1ccc2[nH+]cc(CNc3ccc(Cl)c(C[S@](C)=O)c3)n2c1 ZINC000195559069 564123814 /nfs/dbraw/zinc/12/38/14/564123814.db2.gz QMQWCOGGFXAXAJ-QHCPKHFHSA-N 1 2 347.871 3.787 50 0 EHAALO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1nnc3n1CCCCC3)CCCO2 ZINC000096476376 564148422 /nfs/dbraw/zinc/14/84/22/564148422.db2.gz NKBLFPZNNVJOSH-KRWDZBQOSA-N 1 2 340.471 3.625 50 0 EHAALO COC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccc(C)o1 ZINC000096478908 564148539 /nfs/dbraw/zinc/14/85/39/564148539.db2.gz JGOHZPFNULTCQW-SUMWQHHRSA-N 1 2 346.427 3.593 50 0 EHAALO Cc1nc([C@@H](C)[N@H+](C)CC(=O)NC2CC2)oc1-c1ccc(Cl)cc1 ZINC000096486686 564148685 /nfs/dbraw/zinc/14/86/85/564148685.db2.gz MRNSGUHJRVWMHV-GFCCVEGCSA-N 1 2 347.846 3.575 50 0 EHAALO Cc1nc([C@@H](C)[N@@H+](C)CC(=O)NC2CC2)oc1-c1ccc(Cl)cc1 ZINC000096486686 564148686 /nfs/dbraw/zinc/14/86/86/564148686.db2.gz MRNSGUHJRVWMHV-GFCCVEGCSA-N 1 2 347.846 3.575 50 0 EHAALO c1cn2c([nH+]1)CN(c1ncnc3scc(-c4ccccc4)c31)CC2 ZINC000097201521 564149533 /nfs/dbraw/zinc/14/95/33/564149533.db2.gz VPOJFRCGCJQJIX-UHFFFAOYSA-N 1 2 333.420 3.575 50 0 EHAALO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)Nc1ccc(F)c(F)c1F ZINC000002653709 564151946 /nfs/dbraw/zinc/15/19/46/564151946.db2.gz HCUYCOFETTUEMB-UHFFFAOYSA-N 1 2 346.352 3.832 50 0 EHAALO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)Nc1ccc(F)c(F)c1F ZINC000002653709 564151947 /nfs/dbraw/zinc/15/19/47/564151947.db2.gz HCUYCOFETTUEMB-UHFFFAOYSA-N 1 2 346.352 3.832 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2sccc2C)c1C ZINC000057380594 564153804 /nfs/dbraw/zinc/15/38/04/564153804.db2.gz AICHUVFQXDMSJQ-CYBMUJFWSA-N 1 2 332.469 3.907 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2sccc2C)c1C ZINC000057380594 564153805 /nfs/dbraw/zinc/15/38/05/564153805.db2.gz AICHUVFQXDMSJQ-CYBMUJFWSA-N 1 2 332.469 3.907 50 0 EHAALO CN(C(=O)Nc1ccccc1Cl)C1CCN(c2cccc[nH+]2)CC1 ZINC000057879409 564156318 /nfs/dbraw/zinc/15/63/18/564156318.db2.gz UDDNITIIAOXFFV-UHFFFAOYSA-N 1 2 344.846 3.868 50 0 EHAALO O=C(Cc1cn2ccccc2[nH+]1)N[C@@H](c1cccs1)C1CCCC1 ZINC000032397724 564161330 /nfs/dbraw/zinc/16/13/30/564161330.db2.gz DRNDCAQLUAFECT-LJQANCHMSA-N 1 2 339.464 3.986 50 0 EHAALO C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008229909 564163683 /nfs/dbraw/zinc/16/36/83/564163683.db2.gz LJSIXBLMMIVPAY-HNNXBMFYSA-N 1 2 331.419 3.852 50 0 EHAALO O=C(Nc1ccccc1Cl)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000245174004 564168652 /nfs/dbraw/zinc/16/86/52/564168652.db2.gz YFXCUYKTUGHDPN-UHFFFAOYSA-N 1 2 331.803 3.810 50 0 EHAALO CCCc1noc([C@H](C)[NH+]2CCC(C(=O)c3ccccc3)CC2)n1 ZINC000069586330 564170699 /nfs/dbraw/zinc/17/06/99/564170699.db2.gz XMBFHYIAFPRAHE-AWEZNQCLSA-N 1 2 327.428 3.678 50 0 EHAALO COc1cc2ccccc2cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069659490 564171256 /nfs/dbraw/zinc/17/12/56/564171256.db2.gz XHUMLVXUDSTLHA-QGZVFWFLSA-N 1 2 335.407 3.522 50 0 EHAALO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069917592 564172775 /nfs/dbraw/zinc/17/27/75/564172775.db2.gz BUTQCRVDEZXAJM-INIZCTEOSA-N 1 2 339.370 3.760 50 0 EHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000041975388 564174549 /nfs/dbraw/zinc/17/45/49/564174549.db2.gz DMUULYNTFTVGTG-UHFFFAOYSA-N 1 2 349.221 3.872 50 0 EHAALO Cc1nc(C2([NH2+]Cc3cc(Br)cs3)CCCC2)no1 ZINC000071853292 564176018 /nfs/dbraw/zinc/17/60/18/564176018.db2.gz GBGZUBQBTWRVEQ-UHFFFAOYSA-N 1 2 342.262 3.761 50 0 EHAALO Brc1ccc2c(c1)[C@@H]([N@@H+]1CCc3n[nH]cc3C1)CCC2 ZINC000091078868 1020435889 /nfs/dbraw/zinc/43/58/89/1020435889.db2.gz UDZOWPCKYIWQOV-INIZCTEOSA-N 1 2 332.245 3.608 50 0 EHAALO Brc1ccc2c(c1)[C@@H]([N@H+]1CCc3n[nH]cc3C1)CCC2 ZINC000091078868 1020435892 /nfs/dbraw/zinc/43/58/92/1020435892.db2.gz UDZOWPCKYIWQOV-INIZCTEOSA-N 1 2 332.245 3.608 50 0 EHAALO CCN(CC)C(=O)N1CCC(n2c(C)c[nH+]c2-c2ccccc2)CC1 ZINC000575549195 1131572650 /nfs/dbraw/zinc/57/26/50/1131572650.db2.gz IMFYWZMVIUSHID-UHFFFAOYSA-N 1 2 340.471 3.957 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1CCNC(=O)C1(C)CCCCC1 ZINC000575557311 1131575009 /nfs/dbraw/zinc/57/50/09/1131575009.db2.gz NIDAXUCPGGGMMQ-UHFFFAOYSA-N 1 2 325.456 3.945 50 0 EHAALO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000024792631 1137966740 /nfs/dbraw/zinc/96/67/40/1137966740.db2.gz DDIGEIZYEFVSBZ-UHFFFAOYSA-N 1 2 346.312 3.847 50 0 EHAALO Cc1ccc(C(=O)C2CC[NH+](Cc3nc(C(C)C)no3)CC2)cc1 ZINC000054300172 214230781 /nfs/dbraw/zinc/23/07/81/214230781.db2.gz CPIMYYOEHUNAOK-UHFFFAOYSA-N 1 2 327.428 3.596 50 0 EHAALO Cc1cc(N[C@@H](C)c2nc(CC(C)C)no2)nc(-c2cccnc2)[nH+]1 ZINC000065526411 214946460 /nfs/dbraw/zinc/94/64/60/214946460.db2.gz JQZKIQKHMYAZFU-ZDUSSCGKSA-N 1 2 338.415 3.602 50 0 EHAALO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc(Cl)cc3)c2cc1C ZINC000004116230 210123873 /nfs/dbraw/zinc/12/38/73/210123873.db2.gz MKUHOIBHSQCKPR-OAHLLOKOSA-N 1 2 330.815 3.746 50 0 EHAALO CC(=O)O[C@@H](COc1ccccc1)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000003615895 210066697 /nfs/dbraw/zinc/06/66/97/210066697.db2.gz PUUAMONTBMYWJK-GOSISDBHSA-N 1 2 338.407 3.664 50 0 EHAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)c1ccccc1F ZINC000067712981 215190790 /nfs/dbraw/zinc/19/07/90/215190790.db2.gz JMNHLWJTXGKLQB-UHFFFAOYSA-N 1 2 349.409 3.787 50 0 EHAALO CC[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067743465 215201738 /nfs/dbraw/zinc/20/17/38/215201738.db2.gz JUPASVJHWUEJST-AWEZNQCLSA-N 1 2 332.835 3.702 50 0 EHAALO CC(C)c1noc([C@H]2CCC[N@@H+]2Cc2ccc3cccc(O)c3n2)n1 ZINC000067851668 215231942 /nfs/dbraw/zinc/23/19/42/215231942.db2.gz HAINNROPPNQJNG-OAHLLOKOSA-N 1 2 338.411 3.784 50 0 EHAALO CC(C)c1noc([C@H]2CCC[N@H+]2Cc2ccc3cccc(O)c3n2)n1 ZINC000067851668 215231944 /nfs/dbraw/zinc/23/19/44/215231944.db2.gz HAINNROPPNQJNG-OAHLLOKOSA-N 1 2 338.411 3.784 50 0 EHAALO CCn1cc[nH+]c1CN(C)Cc1nc(-c2sccc2C)oc1C ZINC000067908045 215247348 /nfs/dbraw/zinc/24/73/48/215247348.db2.gz DRPHNMXLCOUVCX-UHFFFAOYSA-N 1 2 330.457 3.868 50 0 EHAALO CC(C)C[C@H](C)N(C)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067948029 215258160 /nfs/dbraw/zinc/25/81/60/215258160.db2.gz VJTVTEPSPIGRHZ-INIZCTEOSA-N 1 2 343.471 3.813 50 0 EHAALO CC(C)C[C@H](C)N(C)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067948029 215258164 /nfs/dbraw/zinc/25/81/64/215258164.db2.gz VJTVTEPSPIGRHZ-INIZCTEOSA-N 1 2 343.471 3.813 50 0 EHAALO CC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1N)C[N@H+](C)CC3 ZINC000040570279 213352742 /nfs/dbraw/zinc/35/27/42/213352742.db2.gz JDNWPOJVDYLPPQ-UHFFFAOYSA-N 1 2 337.448 3.736 50 0 EHAALO CC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1N)C[N@@H+](C)CC3 ZINC000040570279 213352744 /nfs/dbraw/zinc/35/27/44/213352744.db2.gz JDNWPOJVDYLPPQ-UHFFFAOYSA-N 1 2 337.448 3.736 50 0 EHAALO Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000069435422 215412257 /nfs/dbraw/zinc/41/22/57/215412257.db2.gz PIFUDKUCARVCDW-JTQLQIEISA-N 1 2 344.802 3.873 50 0 EHAALO COc1cc(OC)cc(C(=O)Nc2ccc3[nH]c(C(C)C)[nH+]c3c2)c1 ZINC000040268150 213286893 /nfs/dbraw/zinc/28/68/93/213286893.db2.gz CPCDBPKFYXBWGV-UHFFFAOYSA-N 1 2 339.395 3.956 50 0 EHAALO Cc1ccc(C(=O)CC[N@@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187568128 236248995 /nfs/dbraw/zinc/24/89/95/236248995.db2.gz VLJOYPZZTHLXSH-OAHLLOKOSA-N 1 2 332.494 3.814 50 0 EHAALO Cc1ccc(C(=O)CC[N@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000187568128 236248997 /nfs/dbraw/zinc/24/89/97/236248997.db2.gz VLJOYPZZTHLXSH-OAHLLOKOSA-N 1 2 332.494 3.814 50 0 EHAALO O=C(NCCc1ccc(Cl)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000072442279 216235685 /nfs/dbraw/zinc/23/56/85/216235685.db2.gz XUCFKQRCQBQKKC-UHFFFAOYSA-N 1 2 339.826 3.557 50 0 EHAALO Cc1nnc(C[N@@H+](C)Cc2c[nH]nc2-c2cccc3ccccc32)o1 ZINC000023129324 212352802 /nfs/dbraw/zinc/35/28/02/212352802.db2.gz NTPBGBYAYTTXGD-UHFFFAOYSA-N 1 2 333.395 3.553 50 0 EHAALO Cc1nnc(C[N@H+](C)Cc2c[nH]nc2-c2cccc3ccccc32)o1 ZINC000023129324 212352805 /nfs/dbraw/zinc/35/28/05/212352805.db2.gz NTPBGBYAYTTXGD-UHFFFAOYSA-N 1 2 333.395 3.553 50 0 EHAALO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-c2cccs2)cc1 ZINC000206827971 241055045 /nfs/dbraw/zinc/05/50/45/241055045.db2.gz DILMESMHZSPCJV-QGZVFWFLSA-N 1 2 349.459 3.819 50 0 EHAALO c1csc([C@@H]2CCCC[N@H+]2Cc2cc(-c3ccncc3)no2)n1 ZINC000243914758 243033877 /nfs/dbraw/zinc/03/38/77/243033877.db2.gz BKJRABLOZLKNSG-INIZCTEOSA-N 1 2 326.425 3.920 50 0 EHAALO c1csc([C@@H]2CCCC[N@@H+]2Cc2cc(-c3ccncc3)no2)n1 ZINC000243914758 243033884 /nfs/dbraw/zinc/03/38/84/243033884.db2.gz BKJRABLOZLKNSG-INIZCTEOSA-N 1 2 326.425 3.920 50 0 EHAALO Cc1cc([C@H]2CCCC[N@@H+]2Cc2cc(C(N)=O)oc2C(C)(C)C)no1 ZINC000244673828 243052596 /nfs/dbraw/zinc/05/25/96/243052596.db2.gz HWILGHMQIZYPDN-OAHLLOKOSA-N 1 2 345.443 3.700 50 0 EHAALO Cc1cc([C@H]2CCCC[N@H+]2Cc2cc(C(N)=O)oc2C(C)(C)C)no1 ZINC000244673828 243052602 /nfs/dbraw/zinc/05/26/02/243052602.db2.gz HWILGHMQIZYPDN-OAHLLOKOSA-N 1 2 345.443 3.700 50 0 EHAALO Cn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=[NH2+] ZINC000019952292 212089251 /nfs/dbraw/zinc/08/92/51/212089251.db2.gz ZHLOTZCCDNWAHG-UHFFFAOYSA-N 1 2 336.222 3.845 50 0 EHAALO Cc1cc(Cl)ccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019810576 212071076 /nfs/dbraw/zinc/07/10/76/212071076.db2.gz NEKUVVURWNUKPA-UHFFFAOYSA-N 1 2 344.842 3.733 50 0 EHAALO O=C(c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019537591 212041252 /nfs/dbraw/zinc/04/12/52/212041252.db2.gz NKOTUQPBTKXMQO-QPJJXVBHSA-N 1 2 340.854 3.811 50 0 EHAALO O=S(=O)(Nc1ccc2[nH]c(C3CC3)[nH+]c2c1)c1ccc(Cl)cc1 ZINC000079484659 217231606 /nfs/dbraw/zinc/23/16/06/217231606.db2.gz ZKXRDIKVDJARHZ-UHFFFAOYSA-N 1 2 347.827 3.895 50 0 EHAALO CC(=O)N1CC[NH+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000012379405 211360280 /nfs/dbraw/zinc/36/02/80/211360280.db2.gz JFCZQQKLMKTYJI-UHFFFAOYSA-N 1 2 346.515 3.651 50 0 EHAALO O=C(Nc1cccc2ccccc21)N1CC[NH+](Cc2ccco2)CC1 ZINC000011005754 211199382 /nfs/dbraw/zinc/19/93/82/211199382.db2.gz DVBKUIPSPLWUKF-UHFFFAOYSA-N 1 2 335.407 3.783 50 0 EHAALO Cc1cccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)c1 ZINC000010260920 211159097 /nfs/dbraw/zinc/15/90/97/211159097.db2.gz CAMHNGKQQRIJGC-KRWDZBQOSA-N 1 2 338.386 3.779 50 0 EHAALO CCS(=O)(=O)Nc1cccc(C(c2c[nH]c[nH+]2)=C2CCCCC2)c1 ZINC000009229227 211056914 /nfs/dbraw/zinc/05/69/14/211056914.db2.gz MTZVJHSZYMWIAG-UHFFFAOYSA-N 1 2 345.468 3.937 50 0 in-vivo EHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc2c1O[C@@H](C)[C@H]2C ZINC000009155888 211045832 /nfs/dbraw/zinc/04/58/32/211045832.db2.gz RBTMCNBGWATXAB-KGLIPLIRSA-N 1 2 349.434 3.659 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc2c1O[C@H](C)[C@@H]2C ZINC000009155885 211045220 /nfs/dbraw/zinc/04/52/20/211045220.db2.gz RBTMCNBGWATXAB-UONOGXRCSA-N 1 2 349.434 3.659 50 0 EHAALO Cc1cccc(C)c1-n1nnnc1C[N@H+](C)CCCCc1ccccc1 ZINC000095369277 218301279 /nfs/dbraw/zinc/30/12/79/218301279.db2.gz DJJKDQQPQBQWJY-UHFFFAOYSA-N 1 2 349.482 3.734 50 0 EHAALO Cc1cccc(C)c1-n1nnnc1C[N@@H+](C)CCCCc1ccccc1 ZINC000095369277 218301282 /nfs/dbraw/zinc/30/12/82/218301282.db2.gz DJJKDQQPQBQWJY-UHFFFAOYSA-N 1 2 349.482 3.734 50 0 EHAALO Cc1cnc([C@@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C2CC2)s1 ZINC000095405373 218341571 /nfs/dbraw/zinc/34/15/71/218341571.db2.gz PFZLOTPYVKNBCB-KGLIPLIRSA-N 1 2 345.472 3.563 50 0 EHAALO Cn1c(=[NH2+])n(CC(=O)c2ccccc2)cc1-c1ccc(Cl)cc1 ZINC000334157534 258004325 /nfs/dbraw/zinc/00/43/25/258004325.db2.gz HRZGYVQITPEJOY-UHFFFAOYSA-N 1 2 325.799 3.509 50 0 EHAALO Cc1ccc(C(=O)Cn2cc(-c3ccc(Cl)cc3)n(C)c2=[NH2+])cc1 ZINC000334157644 258004895 /nfs/dbraw/zinc/00/48/95/258004895.db2.gz XOFNBPOVMDQHIV-UHFFFAOYSA-N 1 2 339.826 3.818 50 0 EHAALO Cc1nc(C[N@@H+](C)Cc2ccc(Oc3cnccn3)cc2)cs1 ZINC000095982434 258067458 /nfs/dbraw/zinc/06/74/58/258067458.db2.gz YLJDLSOIAZRWON-UHFFFAOYSA-N 1 2 326.425 3.666 50 0 EHAALO Cc1nc(C[N@H+](C)Cc2ccc(Oc3cnccn3)cc2)cs1 ZINC000095982434 258067459 /nfs/dbraw/zinc/06/74/59/258067459.db2.gz YLJDLSOIAZRWON-UHFFFAOYSA-N 1 2 326.425 3.666 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)C1(c2ccccc2)CCCCC1)C1CC1 ZINC000299761666 258078649 /nfs/dbraw/zinc/07/86/49/258078649.db2.gz YMQVPZILAMJORD-GOSISDBHSA-N 1 2 337.467 3.890 50 0 EHAALO CCc1cccc(NC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC000299768435 258082760 /nfs/dbraw/zinc/08/27/60/258082760.db2.gz NNVDIHCKXUHJMJ-UHFFFAOYSA-N 1 2 325.412 3.719 50 0 EHAALO COc1ccc(Nc2cc(N3CCc4ccccc4C3)nc[nH+]2)cc1 ZINC000013495649 135701184 /nfs/dbraw/zinc/70/11/84/135701184.db2.gz VUPNCQYVIUDQMN-UHFFFAOYSA-N 1 2 332.407 3.792 50 0 EHAALO Cc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000012793534 563672348 /nfs/dbraw/zinc/67/23/48/563672348.db2.gz LBCMILXUJXXPFX-CQSZACIVSA-N 1 2 329.469 3.936 50 0 EHAALO Cc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1 ZINC000012793534 563672350 /nfs/dbraw/zinc/67/23/50/563672350.db2.gz LBCMILXUJXXPFX-CQSZACIVSA-N 1 2 329.469 3.936 50 0 EHAALO O=C(CC12CC3CC(CC(C3)C1)C2)N1CC[NH+](Cc2ccco2)CC1 ZINC000016605261 563817051 /nfs/dbraw/zinc/81/70/51/563817051.db2.gz TVIBOSWVPLFWTK-UHFFFAOYSA-N 1 2 342.483 3.530 50 0 EHAALO COc1ccccc1-n1cnn(C[N@H+](C2CC2)C2CCCC2)c1=S ZINC000024656219 563873788 /nfs/dbraw/zinc/87/37/88/563873788.db2.gz YAIBOMKAKMUTBT-UHFFFAOYSA-N 1 2 344.484 3.776 50 0 EHAALO COc1ccccc1-n1cnn(C[N@@H+](C2CC2)C2CCCC2)c1=S ZINC000024656219 563873790 /nfs/dbraw/zinc/87/37/90/563873790.db2.gz YAIBOMKAKMUTBT-UHFFFAOYSA-N 1 2 344.484 3.776 50 0 EHAALO C[C@H](NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1)c1ccccc1 ZINC000025416521 563884686 /nfs/dbraw/zinc/88/46/86/563884686.db2.gz KSXVGKMQYIHBDE-HTAPYJJXSA-N 1 2 345.446 3.638 50 0 EHAALO C[C@@H](NC(=O)[C@H](C)Sc1[nH+]cc2ccccn21)c1ccccc1 ZINC000026372352 563891042 /nfs/dbraw/zinc/89/10/42/563891042.db2.gz ZMNZZCZKESREKP-KGLIPLIRSA-N 1 2 325.437 3.692 50 0 EHAALO CCc1noc(C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)n1 ZINC000059387353 563948825 /nfs/dbraw/zinc/94/88/25/563948825.db2.gz VNPRKSUDJMXIFP-UHFFFAOYSA-N 1 2 325.334 3.815 50 0 EHAALO CCc1noc(C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)n1 ZINC000059387353 563948827 /nfs/dbraw/zinc/94/88/27/563948827.db2.gz VNPRKSUDJMXIFP-UHFFFAOYSA-N 1 2 325.334 3.815 50 0 EHAALO C[C@H]([NH2+]Cc1noc2c1CCCC2)c1cccc(N2CCCC2=O)c1 ZINC000096491315 563955636 /nfs/dbraw/zinc/95/56/36/563955636.db2.gz FKICNPMIWPFFTG-AWEZNQCLSA-N 1 2 339.439 3.531 50 0 EHAALO CC(C)c1nc(CN2CCN(c3[nH+]ccc4ccccc43)CC2)co1 ZINC000065502459 563961702 /nfs/dbraw/zinc/96/17/02/563961702.db2.gz YVWKSNZAWUBYPP-UHFFFAOYSA-N 1 2 336.439 3.668 50 0 EHAALO CCc1cnc(NCc2ccc[nH+]c2N2CCCCCCC2)nc1 ZINC000067587134 563962346 /nfs/dbraw/zinc/96/23/46/563962346.db2.gz IAFVWBRBGKQZPJ-UHFFFAOYSA-N 1 2 325.460 3.817 50 0 EHAALO Cc1ccc(-c2ccnc(NCC(=O)Nc3ccccc3C)n2)c(C)[nH+]1 ZINC000071721699 563964844 /nfs/dbraw/zinc/96/48/44/563964844.db2.gz GFYUGPBQBVNWOP-UHFFFAOYSA-N 1 2 347.422 3.514 50 0 EHAALO COc1cccc(C(=O)[C@H]2CCCN(c3cc(C(C)C)[nH+]cn3)C2)c1 ZINC000071751657 563965096 /nfs/dbraw/zinc/96/50/96/563965096.db2.gz VTIDOWJZBRVHHL-INIZCTEOSA-N 1 2 339.439 3.708 50 0 EHAALO CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CCCn4nc(C)nc43)oc21 ZINC000097034725 563966946 /nfs/dbraw/zinc/96/69/46/563966946.db2.gz FHYZUUWAADSPOW-SWLSCSKDSA-N 1 2 340.427 3.917 50 0 EHAALO c1ccc(-c2nc(N3CCC[C@@H](c4[nH]c5ccccc5[nH+]4)C3)no2)cc1 ZINC000077452422 563969719 /nfs/dbraw/zinc/96/97/19/563969719.db2.gz OVSIFDOPCGURRZ-OAHLLOKOSA-N 1 2 345.406 3.997 50 0 EHAALO Cc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccccc2)o1 ZINC000077488826 563969991 /nfs/dbraw/zinc/96/99/91/563969991.db2.gz CBWHFRZZXJMUBE-MRXNPFEDSA-N 1 2 335.407 3.998 50 0 EHAALO CSCc1nc(CCn2cc[nH+]c2-c2ccc(O)cc2)cs1 ZINC000077505326 563970069 /nfs/dbraw/zinc/97/00/69/563970069.db2.gz LIMNVJOHZHXFRC-UHFFFAOYSA-N 1 2 331.466 3.818 50 0 EHAALO Cc1ccc(C2(C(=O)N3CCCC[C@@H]3CCn3cc[nH+]c3)CC2)cc1 ZINC000082097473 563972174 /nfs/dbraw/zinc/97/21/74/563972174.db2.gz QNTPBTSDPNNBFL-LJQANCHMSA-N 1 2 337.467 3.695 50 0 EHAALO Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)CCCc1cccs1 ZINC000082099706 563972257 /nfs/dbraw/zinc/97/22/57/563972257.db2.gz SUPZXUHLHXUUKX-INIZCTEOSA-N 1 2 345.512 3.818 50 0 EHAALO CCN(CC)c1cc(CNC(=O)Nc2cccc(C)c2C)cc[nH+]1 ZINC000033280242 563972914 /nfs/dbraw/zinc/97/29/14/563972914.db2.gz KCBVKKUGGVTWAJ-UHFFFAOYSA-N 1 2 326.444 3.866 50 0 EHAALO C[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000131366543 563974331 /nfs/dbraw/zinc/97/43/31/563974331.db2.gz IGGQLUIBYPMCMN-INIZCTEOSA-N 1 2 336.439 3.829 50 0 EHAALO CCc1cccc(NC(=O)N2CCC(c3[nH+]ccn3CC)CC2)c1 ZINC000091321711 563975297 /nfs/dbraw/zinc/97/52/97/563975297.db2.gz YFINBBUAHMTMPI-UHFFFAOYSA-N 1 2 326.444 3.877 50 0 EHAALO Cc1nc2cc(NC(=O)NCc3c[nH+]cn3CC(C)C)ccc2s1 ZINC000095504607 563977119 /nfs/dbraw/zinc/97/71/19/563977119.db2.gz UXRANBLRFBTAPZ-UHFFFAOYSA-N 1 2 343.456 3.779 50 0 EHAALO C[C@@H](O)c1cccc(N2CCC(Oc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000095510750 563977218 /nfs/dbraw/zinc/97/72/18/563977218.db2.gz GIRNFYUXBMVXON-CYBMUJFWSA-N 1 2 332.831 3.836 50 0 EHAALO c1cn(CC2(c3nc(-c4ccncc4)nn3C3CCCCC3)CC2)c[nH+]1 ZINC000096153187 563979726 /nfs/dbraw/zinc/97/97/26/563979726.db2.gz MBGNJXVJDKJXCZ-UHFFFAOYSA-N 1 2 348.454 3.774 50 0 EHAALO Cc1ccc(F)c(NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)c1 ZINC000408517642 563992879 /nfs/dbraw/zinc/99/28/79/563992879.db2.gz LFWWOXNRLKAHOD-JTQLQIEISA-N 1 2 329.297 3.542 50 0 EHAALO Cc1nnc(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)n1C ZINC000134853811 563996712 /nfs/dbraw/zinc/99/67/12/563996712.db2.gz LTTFNPBPGVHKFC-UHFFFAOYSA-N 1 2 336.892 3.534 50 0 EHAALO Cc1nc(CC(C)C)c(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000180538398 564013400 /nfs/dbraw/zinc/01/34/00/564013400.db2.gz AGSWMWMWDQEBAR-AWEZNQCLSA-N 1 2 347.488 3.543 50 0 EHAALO CC(C)n1ncc2cc(CNc3[nH+]cccc3OC(F)F)cnc21 ZINC000189268931 564015056 /nfs/dbraw/zinc/01/50/56/564015056.db2.gz IUAGKDGXQIFDEF-UHFFFAOYSA-N 1 2 333.342 3.621 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccc(Cl)cc1 ZINC000018174907 564018530 /nfs/dbraw/zinc/01/85/30/564018530.db2.gz QDKHKCQYDVIEMR-UHFFFAOYSA-N 1 2 328.803 3.820 50 0 EHAALO COCc1noc([C@H](C)[N@H+](C)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000181561350 564019530 /nfs/dbraw/zinc/01/95/30/564019530.db2.gz ZRSJYJZYFIIYIM-VIFPVBQESA-N 1 2 330.215 3.716 50 0 EHAALO COCc1noc([C@H](C)[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000181561350 564019531 /nfs/dbraw/zinc/01/95/31/564019531.db2.gz ZRSJYJZYFIIYIM-VIFPVBQESA-N 1 2 330.215 3.716 50 0 EHAALO Cc1cc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000106757849 564026621 /nfs/dbraw/zinc/02/66/21/564026621.db2.gz WRKBAPXHMQVCAY-VQIMIIECSA-N 1 2 346.434 3.813 50 0 EHAALO C[C@@H](c1cccs1)N(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045844856 564028720 /nfs/dbraw/zinc/02/87/20/564028720.db2.gz SJTFTRSJHXVWSA-AWEZNQCLSA-N 1 2 344.484 3.646 50 0 EHAALO Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000007927210 564034542 /nfs/dbraw/zinc/03/45/42/564034542.db2.gz CWMSLMJLNBQWQR-QGZVFWFLSA-N 1 2 344.480 3.676 50 0 EHAALO Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000007927210 564034543 /nfs/dbraw/zinc/03/45/43/564034543.db2.gz CWMSLMJLNBQWQR-QGZVFWFLSA-N 1 2 344.480 3.676 50 0 EHAALO Cc1cc(N[C@@H]2CCOC[C@H]2OCc2ccccn2)[nH+]c2ccccc12 ZINC000222315721 564053241 /nfs/dbraw/zinc/05/32/41/564053241.db2.gz WOEXSPCUFPTEKH-WOJBJXKFSA-N 1 2 349.434 3.724 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000012530364 564058283 /nfs/dbraw/zinc/05/82/83/564058283.db2.gz DEPBCGSHESJHMM-ZBFHGGJFSA-N 1 2 329.831 3.635 50 0 EHAALO Cc1c[nH]c([C@@H](C)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)[nH+]1 ZINC000534637008 564061383 /nfs/dbraw/zinc/06/13/83/564061383.db2.gz GKJQEFWVZJGBDW-OAHLLOKOSA-N 1 2 336.439 3.549 50 0 EHAALO O=[S@@](Cc1cn2cc(Br)ccc2[nH+]1)Cc1ccccc1 ZINC000083944126 564065013 /nfs/dbraw/zinc/06/50/13/564065013.db2.gz MYNWTJSZVWBTTA-FQEVSTJZSA-N 1 2 349.253 3.546 50 0 EHAALO Cc1cccn2cc(COC(=O)c3csc(-c4ccco4)n3)[nH+]c12 ZINC000084247931 564067543 /nfs/dbraw/zinc/06/75/43/564067543.db2.gz BSQVSMBZIHRVIR-UHFFFAOYSA-N 1 2 339.376 3.716 50 0 EHAALO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCOc2ccccc2C1 ZINC000084800489 564070309 /nfs/dbraw/zinc/07/03/09/564070309.db2.gz AGZHFBGDNHTKIQ-UHFFFAOYSA-N 1 2 348.402 3.811 50 0 EHAALO Cc1nc(C)c(C(=O)N2CC[C@@H](n3c(C)[nH+]c4ccccc43)C2)s1 ZINC000575616171 564083479 /nfs/dbraw/zinc/08/34/79/564083479.db2.gz HSXRKQGEWRDJOT-CQSZACIVSA-N 1 2 340.452 3.505 50 0 EHAALO COc1cccc(-c2noc(C[N@H+](C)Cc3sccc3C)n2)c1 ZINC000013008766 564086479 /nfs/dbraw/zinc/08/64/79/564086479.db2.gz PMSFLHDFASMROM-UHFFFAOYSA-N 1 2 329.425 3.747 50 0 EHAALO COc1cccc(-c2noc(C[N@@H+](C)Cc3sccc3C)n2)c1 ZINC000013008766 564086480 /nfs/dbraw/zinc/08/64/80/564086480.db2.gz PMSFLHDFASMROM-UHFFFAOYSA-N 1 2 329.425 3.747 50 0 EHAALO CCCN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(C)c2ncccc12 ZINC000426622901 564094277 /nfs/dbraw/zinc/09/42/77/564094277.db2.gz GPWXDELJHCKMFG-UHFFFAOYSA-N 1 2 337.427 3.721 50 0 EHAALO Cc1ccccc1CC(=O)N1CCC(CCOc2cc[nH+]cc2)CC1 ZINC000065181073 564102346 /nfs/dbraw/zinc/10/23/46/564102346.db2.gz BZOMRLIVYAAOEJ-UHFFFAOYSA-N 1 2 338.451 3.640 50 0 EHAALO C[C@@H](C(=O)N1CCC(CCOc2cc[nH+]cc2)CC1)c1ccccc1 ZINC000065181054 564102370 /nfs/dbraw/zinc/10/23/70/564102370.db2.gz ORPWUBDHQUOWGK-QGZVFWFLSA-N 1 2 338.451 3.893 50 0 EHAALO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286085 564104367 /nfs/dbraw/zinc/10/43/67/564104367.db2.gz DEYFRQCCLGLEHE-QGZVFWFLSA-N 1 2 338.386 3.998 50 0 EHAALO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286085 564104368 /nfs/dbraw/zinc/10/43/68/564104368.db2.gz DEYFRQCCLGLEHE-QGZVFWFLSA-N 1 2 338.386 3.998 50 0 EHAALO C[N@H+](Cn1c(-c2ccccn2)csc1=O)[C@H]1CCc2ccccc21 ZINC000065522352 564106860 /nfs/dbraw/zinc/10/68/60/564106860.db2.gz FOEHEQZFTCUSQG-KRWDZBQOSA-N 1 2 337.448 3.549 50 0 EHAALO C[N@@H+](Cn1c(-c2ccccn2)csc1=O)[C@H]1CCc2ccccc21 ZINC000065522352 564106861 /nfs/dbraw/zinc/10/68/61/564106861.db2.gz FOEHEQZFTCUSQG-KRWDZBQOSA-N 1 2 337.448 3.549 50 0 EHAALO C[C@@H](CNC(=O)Nc1cc(Cl)ccc1Cl)Cn1cc[nH+]c1 ZINC000065591836 564107975 /nfs/dbraw/zinc/10/79/75/564107975.db2.gz XGZQCGXBKXYGHD-JTQLQIEISA-N 1 2 327.215 3.648 50 0 EHAALO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccccc2Cl)C1 ZINC000151528237 564111596 /nfs/dbraw/zinc/11/15/96/564111596.db2.gz BULXOTRYQPJDCM-CYBMUJFWSA-N 1 2 332.835 3.560 50 0 EHAALO CCCCn1cc[nH+]c1-c1cccc(NC(=O)Cc2cccnc2)c1 ZINC000089955516 564115852 /nfs/dbraw/zinc/11/58/52/564115852.db2.gz GYUBQPNUKKIWRD-UHFFFAOYSA-N 1 2 334.423 3.926 50 0 EHAALO Cc1cc(N[C@H](c2nccn2C)c2cccc(F)c2)nc(C2CC2)[nH+]1 ZINC000253426988 564131165 /nfs/dbraw/zinc/13/11/65/564131165.db2.gz UJDCXAYYPSFEHF-KRWDZBQOSA-N 1 2 337.402 3.737 50 0 EHAALO Cc1[nH]c(-c2cccc(C(=O)N(C)CC[C@@H]3CCCCO3)c2)c(C)[nH+]1 ZINC000584901050 564131716 /nfs/dbraw/zinc/13/17/16/564131716.db2.gz ANWHNCWEKZGVBD-SFHVURJKSA-N 1 2 341.455 3.725 50 0 EHAALO CCCC[C@@H]([NH2+][C@@H](C)c1csc(C)n1)C(=O)Nc1cc(C)on1 ZINC000079030758 564137696 /nfs/dbraw/zinc/13/76/96/564137696.db2.gz CXMPSENTPSYDLB-WCQYABFASA-N 1 2 336.461 3.596 50 0 EHAALO C/C(=C/C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000096297984 564146608 /nfs/dbraw/zinc/14/66/08/564146608.db2.gz QGVROGBEFNWBIZ-FRCNOYOJSA-N 1 2 346.474 3.948 50 0 EHAALO Cc1cccc2[nH+]c(C[S@@](=O)CCc3ccccc3Cl)cn21 ZINC000097083698 564149344 /nfs/dbraw/zinc/14/93/44/564149344.db2.gz OFRIQQTYBKZMIW-JOCHJYFZSA-N 1 2 332.856 3.788 50 0 EHAALO Cc1cccc(-c2ccc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2)c1 ZINC000161762290 564150065 /nfs/dbraw/zinc/15/00/65/564150065.db2.gz JVKPWOMJGDAUCL-HXUWFJFHSA-N 1 2 345.446 3.737 50 0 EHAALO Cc1cc2[nH+]cn(CC(=O)Nc3ccc(N4CCCC4)cc3)c2cc1C ZINC000029377515 564153395 /nfs/dbraw/zinc/15/33/95/564153395.db2.gz GWPMHBHKHDBJAP-UHFFFAOYSA-N 1 2 348.450 3.892 50 0 EHAALO Cc1ccc2nc(NC(=O)C[N@@H+]3CCc4ccccc4C3)sc2c1 ZINC000003233830 564156388 /nfs/dbraw/zinc/15/63/88/564156388.db2.gz LBQGYIIXDXLWBK-UHFFFAOYSA-N 1 2 337.448 3.602 50 0 biogenic,in-vitro EHAALO Cc1ccc2nc(NC(=O)C[N@H+]3CCc4ccccc4C3)sc2c1 ZINC000003233830 564156389 /nfs/dbraw/zinc/15/63/89/564156389.db2.gz LBQGYIIXDXLWBK-UHFFFAOYSA-N 1 2 337.448 3.602 50 0 biogenic,in-vitro EHAALO S=c1n2ccccc2nn1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003261510 564156719 /nfs/dbraw/zinc/15/67/19/564156719.db2.gz GRZCAVLJAQXPFL-UHFFFAOYSA-N 1 2 338.480 3.777 50 0 EHAALO CC[C@H](C)NC(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000008391676 564164977 /nfs/dbraw/zinc/16/49/77/564164977.db2.gz HIUHZYBNWLCGOU-HNNXBMFYSA-N 1 2 336.439 3.563 50 0 EHAALO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1nc(-c2ccccc2)cs1 ZINC000069561622 564170441 /nfs/dbraw/zinc/17/04/41/564170441.db2.gz SRSBWJDUEWODEP-NSHDSACASA-N 1 2 336.424 3.660 50 0 EHAALO C[C@@H](C(=O)Nc1ccc(-c2nc3ccccc3n2C)cc1)n1cc[nH+]c1 ZINC000069595401 564170805 /nfs/dbraw/zinc/17/08/05/564170805.db2.gz CRPZVKYNIIZROQ-AWEZNQCLSA-N 1 2 345.406 3.637 50 0 EHAALO O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069819498 564172396 /nfs/dbraw/zinc/17/23/96/564172396.db2.gz VEZXVJACLRJLNJ-LJQANCHMSA-N 1 2 348.450 3.675 50 0 EHAALO O=C(c1ccc(OC2CCCC2)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069900210 564172720 /nfs/dbraw/zinc/17/27/20/564172720.db2.gz YXJWNKBZFJVHBP-QGZVFWFLSA-N 1 2 339.439 3.682 50 0 EHAALO O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000070007896 564173257 /nfs/dbraw/zinc/17/32/57/564173257.db2.gz QDENAFQYOQPBSA-UHFFFAOYSA-N 1 2 335.411 3.564 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H](C)c1ccccc1 ZINC000042846867 564175477 /nfs/dbraw/zinc/17/54/77/564175477.db2.gz LTQQPYPGZAKKFP-OAHLLOKOSA-N 1 2 336.439 3.795 50 0 EHAALO Cc1ccccc1NC1(CNc2[nH+]cnc3c2cnn3C)CCCC1 ZINC000871073774 1037852096 /nfs/dbraw/zinc/85/20/96/1037852096.db2.gz RZKUIBDOTKWYEN-UHFFFAOYSA-N 1 2 336.443 3.509 50 0 EHAALO CN(C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cc[nH+]c1)C1CCCC1 ZINC000585114968 1137004094 /nfs/dbraw/zinc/00/40/94/1137004094.db2.gz HJNVNNOPRVRUNP-KRWDZBQOSA-N 1 2 346.862 3.710 50 0 EHAALO CN(C)c1ccc(Cl)cc1NC(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000952873083 1137482975 /nfs/dbraw/zinc/48/29/75/1137482975.db2.gz FZRMJAYYCUYVIP-KRWDZBQOSA-N 1 2 349.837 3.787 50 0 EHAALO Cc1nnc(C[NH+]2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)o1 ZINC000051852443 214106838 /nfs/dbraw/zinc/10/68/38/214106838.db2.gz IIDXLYXITXXPMX-UHFFFAOYSA-N 1 2 341.455 3.671 50 0 EHAALO COc1ccccc1[C@@H](NC(=O)C=C1CCCCC1)c1[nH+]ccn1C ZINC000055982029 214352003 /nfs/dbraw/zinc/35/20/03/214352003.db2.gz NJLNNZVCLNEEBN-LJQANCHMSA-N 1 2 339.439 3.525 50 0 EHAALO C[N@@H+](Cc1ccccc1C(F)(F)F)Cc1nc2ccccc2c(=O)[nH]1 ZINC000056688392 214384288 /nfs/dbraw/zinc/38/42/88/214384288.db2.gz SANUWKPJWOTRDY-UHFFFAOYSA-N 1 2 347.340 3.574 50 0 EHAALO C[N@H+](Cc1ccccc1C(F)(F)F)Cc1nc2ccccc2c(=O)[nH]1 ZINC000056688392 214384290 /nfs/dbraw/zinc/38/42/90/214384290.db2.gz SANUWKPJWOTRDY-UHFFFAOYSA-N 1 2 347.340 3.574 50 0 EHAALO O=C([O-])c1ccccc1C[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000067774156 215209350 /nfs/dbraw/zinc/20/93/50/215209350.db2.gz YALALDCDKKHNHD-OAHLLOKOSA-N 1 2 349.434 3.716 50 0 EHAALO O=C([O-])c1ccccc1C[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000067774156 215209351 /nfs/dbraw/zinc/20/93/51/215209351.db2.gz YALALDCDKKHNHD-OAHLLOKOSA-N 1 2 349.434 3.716 50 0 EHAALO O=C(Nc1c[nH+]c2n1CCCC2)C(c1ccccc1)c1ccccc1 ZINC000067867818 215235107 /nfs/dbraw/zinc/23/51/07/215235107.db2.gz YHBVPYRMEMPXSE-UHFFFAOYSA-N 1 2 331.419 3.990 50 0 EHAALO Cc1oc(-c2ccco2)nc1Cn1c2ccccc2[nH+]c1CCCO ZINC000067855229 215233951 /nfs/dbraw/zinc/23/39/51/215233951.db2.gz NQHYQQGVROGHGG-UHFFFAOYSA-N 1 2 337.379 3.566 50 0 EHAALO c1cn([C@@H](CCn2cc[nH+]c2)c2ccccc2)c(-c2cccnc2)n1 ZINC000067946546 215256418 /nfs/dbraw/zinc/25/64/18/215256418.db2.gz RTEFMQWZZPYNOF-IBGZPJMESA-N 1 2 329.407 3.821 50 0 EHAALO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000040468312 213310977 /nfs/dbraw/zinc/31/09/77/213310977.db2.gz VKHZHNLKVSCUPT-STQMWFEESA-N 1 2 344.377 3.605 50 0 EHAALO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000040468312 213310981 /nfs/dbraw/zinc/31/09/81/213310981.db2.gz VKHZHNLKVSCUPT-STQMWFEESA-N 1 2 344.377 3.605 50 0 EHAALO C[C@@H](Sc1ccccc1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000040007799 213250160 /nfs/dbraw/zinc/25/01/60/213250160.db2.gz OIFMVZZTGYBKFY-VQIMIIECSA-N 1 2 340.492 3.683 50 0 EHAALO C[C@@H](Sc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000040007799 213250164 /nfs/dbraw/zinc/25/01/64/213250164.db2.gz OIFMVZZTGYBKFY-VQIMIIECSA-N 1 2 340.492 3.683 50 0 EHAALO Cc1c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)sc2ccsc12 ZINC000069656501 215519994 /nfs/dbraw/zinc/51/99/94/215519994.db2.gz NFRAQEAMZQWCFA-GFCCVEGCSA-N 1 2 331.466 3.945 50 0 EHAALO Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)c(F)c1 ZINC000069737260 215551828 /nfs/dbraw/zinc/55/18/28/215551828.db2.gz VDADWGKFGUBXTQ-SFHVURJKSA-N 1 2 327.403 3.522 50 0 EHAALO Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)c(F)c1 ZINC000069737260 215551829 /nfs/dbraw/zinc/55/18/29/215551829.db2.gz VDADWGKFGUBXTQ-SFHVURJKSA-N 1 2 327.403 3.522 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000036879955 213124628 /nfs/dbraw/zinc/12/46/28/213124628.db2.gz SIZZJUNVQSAUPJ-AWEZNQCLSA-N 1 2 331.828 3.654 50 0 EHAALO Cc1c(Cl)cccc1NC(=S)NCc1ccc[nH+]c1N(C)C ZINC000036845834 213122796 /nfs/dbraw/zinc/12/27/96/213122796.db2.gz ASCRFUCYRZBHNS-UHFFFAOYSA-N 1 2 334.876 3.596 50 0 EHAALO Cc1ccc(-c2ccnc(N[C@@H](C)c3nc(C(C)C)no3)n2)c(C)[nH+]1 ZINC000071614082 215789120 /nfs/dbraw/zinc/78/91/20/215789120.db2.gz CNXYJRQMYANJNE-ZDUSSCGKSA-N 1 2 338.415 3.835 50 0 EHAALO Cc1cc(N[C@@H]2CC(=O)N(CC(C)(C)C)C2)nc(-c2ccccc2)[nH+]1 ZINC000072133539 216022787 /nfs/dbraw/zinc/02/27/87/216022787.db2.gz KCNOEPIXHVOCEX-MRXNPFEDSA-N 1 2 338.455 3.511 50 0 EHAALO Fc1c(Cl)cccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccco1 ZINC000072411374 216203517 /nfs/dbraw/zinc/20/35/17/216203517.db2.gz KJYRRDWHCUNYPT-QGZVFWFLSA-N 1 2 331.778 3.943 50 0 EHAALO CC(C)c1cc(N[C@@H](Cn2cc[nH+]c2)c2ccccc2)n2nccc2n1 ZINC000072462659 216245591 /nfs/dbraw/zinc/24/55/91/216245591.db2.gz LLFNZTIHKPIOHM-SFHVURJKSA-N 1 2 346.438 3.903 50 0 EHAALO Cc1noc(C)c1C[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000023820515 212395719 /nfs/dbraw/zinc/39/57/19/212395719.db2.gz DINPDNUKUFKHTF-UHFFFAOYSA-N 1 2 342.226 3.669 50 0 EHAALO Cc1noc(C)c1C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000023820515 212395722 /nfs/dbraw/zinc/39/57/22/212395722.db2.gz DINPDNUKUFKHTF-UHFFFAOYSA-N 1 2 342.226 3.669 50 0 EHAALO CC[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1[nH]cc(C)[nH+]1 ZINC000215686405 241140427 /nfs/dbraw/zinc/14/04/27/241140427.db2.gz GDFJKBPKCITNPY-ZDUSSCGKSA-N 1 2 325.334 3.547 50 0 EHAALO CC(C)Oc1c(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)C2)cc1Cl ZINC000219315138 241380426 /nfs/dbraw/zinc/38/04/26/241380426.db2.gz JOONLDPZOSSDFE-CYBMUJFWSA-N 1 2 331.287 3.917 50 0 EHAALO CC(C)Oc1c(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)C2)cc1Cl ZINC000219315138 241380430 /nfs/dbraw/zinc/38/04/30/241380430.db2.gz JOONLDPZOSSDFE-CYBMUJFWSA-N 1 2 331.287 3.917 50 0 EHAALO COCCCOc1cc[nH+]c(CSc2nc3ccccc3[nH]2)c1C ZINC000021992166 212268861 /nfs/dbraw/zinc/26/88/61/212268861.db2.gz BSXAHDOWMOSVAP-UHFFFAOYSA-N 1 2 343.452 3.974 50 0 in-vitro EHAALO CC(C)NC(=O)Nc1ccc(CCc2[nH+]c3ccccc3n2C)cc1 ZINC000021357772 212222283 /nfs/dbraw/zinc/22/22/83/212222283.db2.gz ABXGOFXPFJNXIT-UHFFFAOYSA-N 1 2 336.439 3.888 50 0 EHAALO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000020357027 212122941 /nfs/dbraw/zinc/12/29/41/212122941.db2.gz BZFJDTQDBNSDPY-UHFFFAOYSA-N 1 2 341.430 3.792 50 0 EHAALO Cc1ccc([C@H](c2c(O)[nH]c(=S)[nH]c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000020156070 212107548 /nfs/dbraw/zinc/10/75/48/212107548.db2.gz SLVUYTZRPXWUTC-OAHLLOKOSA-N 1 2 345.468 3.680 50 0 EHAALO CC(C)(C)c1cc(C(=O)OCC[NH+]2CCOCC2)cc(C(C)(C)C)c1 ZINC000020137145 212104963 /nfs/dbraw/zinc/10/49/63/212104963.db2.gz NRUFYCOMJUQKFW-UHFFFAOYSA-N 1 2 347.499 3.771 50 0 EHAALO CCOc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000019842284 212075041 /nfs/dbraw/zinc/07/50/41/212075041.db2.gz SEEVJKZEWMVTAQ-UHFFFAOYSA-N 1 2 328.431 3.542 50 0 EHAALO CC(=O)N[C@@H]1CN(c2cc(C)c3ccccc3[nH+]2)C[C@H]1c1ccc(C)o1 ZINC000091504068 218014142 /nfs/dbraw/zinc/01/41/42/218014142.db2.gz RSRNEQDYZBENSO-IEBWSBKVSA-N 1 2 349.434 3.553 50 0 EHAALO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000011819259 211252753 /nfs/dbraw/zinc/25/27/53/211252753.db2.gz FDXMSIDIEKEAQH-CYBMUJFWSA-N 1 2 337.345 3.523 50 0 EHAALO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000011819259 211252754 /nfs/dbraw/zinc/25/27/54/211252754.db2.gz FDXMSIDIEKEAQH-CYBMUJFWSA-N 1 2 337.345 3.523 50 0 EHAALO Cc1oc(-c2ccc(F)cc2)nc1C[N@@H+](Cc1cnn(C)c1)C(C)C ZINC000011713603 211240788 /nfs/dbraw/zinc/24/07/88/211240788.db2.gz YRMASLVDZHTYJN-UHFFFAOYSA-N 1 2 342.418 3.933 50 0 EHAALO Cc1oc(-c2ccc(F)cc2)nc1C[N@H+](Cc1cnn(C)c1)C(C)C ZINC000011713603 211240791 /nfs/dbraw/zinc/24/07/91/211240791.db2.gz YRMASLVDZHTYJN-UHFFFAOYSA-N 1 2 342.418 3.933 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000091746759 218057751 /nfs/dbraw/zinc/05/77/51/218057751.db2.gz AIVQEYPGRSJGHD-INIZCTEOSA-N 1 2 340.427 3.517 50 0 EHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000091966345 218097476 /nfs/dbraw/zinc/09/74/76/218097476.db2.gz SNWZRSFLYRHYLY-UHFFFAOYSA-N 1 2 332.835 3.532 50 0 EHAALO Cc1[nH]c2ccc(NC(=O)c3ccc(Br)cc3)cc2[nH+]1 ZINC000010895955 211195388 /nfs/dbraw/zinc/19/53/88/211195388.db2.gz QJOHJHROSYSQKY-UHFFFAOYSA-N 1 2 330.185 3.886 50 0 EHAALO Cc1[nH]c2cc(NC(=O)c3ccc(Br)cc3)ccc2[nH+]1 ZINC000010895955 211195392 /nfs/dbraw/zinc/19/53/92/211195392.db2.gz QJOHJHROSYSQKY-UHFFFAOYSA-N 1 2 330.185 3.886 50 0 EHAALO Cc1cccn2cc(COc3ccc(C(=O)N4CCCCC4)cc3)[nH+]c12 ZINC000010356045 211167848 /nfs/dbraw/zinc/16/78/48/211167848.db2.gz VKUCLSDDZVMUEU-UHFFFAOYSA-N 1 2 349.434 3.848 50 0 EHAALO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc(Cl)cc1Cl ZINC000010355919 211166853 /nfs/dbraw/zinc/16/68/53/211166853.db2.gz BBTOQFUWKFZHOS-UHFFFAOYSA-N 1 2 334.206 3.614 50 0 EHAALO CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)cc1 ZINC000095362538 218295369 /nfs/dbraw/zinc/29/53/69/218295369.db2.gz WLPNLTFRCSWEJY-GOSISDBHSA-N 1 2 339.439 3.686 50 0 EHAALO CSCc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)o1 ZINC000095384242 218316770 /nfs/dbraw/zinc/31/67/70/218316770.db2.gz ZFMZKVLEGAHVEO-AWEZNQCLSA-N 1 2 347.484 3.940 50 0 EHAALO COc1cc(Cl)c(NCc2[nH+]ccn2CC(F)(F)F)cc1OC ZINC000095402821 218337255 /nfs/dbraw/zinc/33/72/55/218337255.db2.gz FBXSBYSNBWPCPL-UHFFFAOYSA-N 1 2 349.740 3.728 50 0 EHAALO O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000095427134 218369219 /nfs/dbraw/zinc/36/92/19/218369219.db2.gz ZPPRARKJJANNCE-CVEARBPZSA-N 1 2 346.475 3.528 50 0 EHAALO Cc1[nH+]cc(CNc2cccc(C[S@](C)=O)c2)n1-c1ccccc1 ZINC000095429144 218371724 /nfs/dbraw/zinc/37/17/24/218371724.db2.gz GXSVNVVLRBRBMQ-XMMPIXPASA-N 1 2 339.464 3.671 50 0 EHAALO Cc1nnc(C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)n1C1CC1 ZINC000097374444 219017250 /nfs/dbraw/zinc/01/72/50/219017250.db2.gz WIAFCWHBQDSHJK-LBPRGKRZSA-N 1 2 339.468 3.896 50 0 EHAALO CCc1nc2ccccc2n1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000097466555 219026691 /nfs/dbraw/zinc/02/66/91/219026691.db2.gz UVSITOHDPCXXJY-MRXNPFEDSA-N 1 2 348.450 3.626 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc2nc(C)ccc2o1 ZINC000281918410 258013509 /nfs/dbraw/zinc/01/35/09/258013509.db2.gz VKLDISFNRAPLRT-OAHLLOKOSA-N 1 2 338.411 3.720 50 0 EHAALO C[C@H](Nc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)c1ccncc1 ZINC000012534697 258054664 /nfs/dbraw/zinc/05/46/64/258054664.db2.gz CVZZLRKOBVDIII-LBPRGKRZSA-N 1 2 334.358 3.523 50 0 EHAALO CC(C)CCNc1[nH+]cnc2c1cnn2Cc1ccc(Cl)cc1 ZINC000000521241 563340694 /nfs/dbraw/zinc/34/06/94/563340694.db2.gz XJKMWAUGBUXMDJ-UHFFFAOYSA-N 1 2 329.835 3.986 50 0 EHAALO Cc1cccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1C ZINC000071903830 563558963 /nfs/dbraw/zinc/55/89/63/563558963.db2.gz RRMVDPADBUIPCH-UHFFFAOYSA-N 1 2 335.407 3.831 50 0 EHAALO CC(=O)N(c1nc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)cs1)C1CC1 ZINC000071908252 563568763 /nfs/dbraw/zinc/56/87/63/563568763.db2.gz QZFURPNZIPGSFL-GFCCVEGCSA-N 1 2 347.459 3.991 50 0 EHAALO CC(=O)N(c1nc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)cs1)C1CC1 ZINC000071908252 563568766 /nfs/dbraw/zinc/56/87/66/563568766.db2.gz QZFURPNZIPGSFL-GFCCVEGCSA-N 1 2 347.459 3.991 50 0 EHAALO Cc1cccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000012793538 563672296 /nfs/dbraw/zinc/67/22/96/563672296.db2.gz LBCMILXUJXXPFX-AWEZNQCLSA-N 1 2 329.469 3.936 50 0 EHAALO Cc1cccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000012793538 563672299 /nfs/dbraw/zinc/67/22/99/563672299.db2.gz LBCMILXUJXXPFX-AWEZNQCLSA-N 1 2 329.469 3.936 50 0 EHAALO COCC[N@H+](CC(=O)Nc1cccc(C)c1C)Cc1ccc(F)cc1 ZINC000014248867 563755525 /nfs/dbraw/zinc/75/55/25/563755525.db2.gz XCFWFBIGYQGCHE-UHFFFAOYSA-N 1 2 344.430 3.530 50 0 EHAALO COCC[N@@H+](CC(=O)Nc1cccc(C)c1C)Cc1ccc(F)cc1 ZINC000014248867 563755529 /nfs/dbraw/zinc/75/55/29/563755529.db2.gz XCFWFBIGYQGCHE-UHFFFAOYSA-N 1 2 344.430 3.530 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000014400772 563758928 /nfs/dbraw/zinc/75/89/28/563758928.db2.gz DITCGNPROQRHLT-SFHVURJKSA-N 1 2 348.381 3.560 50 0 EHAALO COc1ccccc1[C@@H](NC(=O)CCC1CCCC1)c1[nH+]ccn1C ZINC000032842357 563761285 /nfs/dbraw/zinc/76/12/85/563761285.db2.gz UTASOEBFYBHDQB-LJQANCHMSA-N 1 2 341.455 3.605 50 0 EHAALO COC(=O)[C@@H]1C[C@H](Oc2ccc(C(C)(C)CC(C)(C)C)cc2)C[NH2+]1 ZINC000014632570 563762230 /nfs/dbraw/zinc/76/22/30/563762230.db2.gz NTFFOXBDBQOQIA-IRXDYDNUSA-N 1 2 333.472 3.683 50 0 EHAALO Cc1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)sc1C ZINC000032860021 563764922 /nfs/dbraw/zinc/76/49/22/563764922.db2.gz NZAMUDKCZGTAQM-UHFFFAOYSA-N 1 2 325.437 3.540 50 0 EHAALO C[N@H+](Cn1ncc(Cl)c(Cl)c1=O)[C@@H]1CCCc2ccccc21 ZINC000032899425 563785380 /nfs/dbraw/zinc/78/53/80/563785380.db2.gz NWMMDGMDKCKDES-CQSZACIVSA-N 1 2 338.238 3.517 50 0 EHAALO C[N@@H+](Cn1ncc(Cl)c(Cl)c1=O)[C@@H]1CCCc2ccccc21 ZINC000032899425 563785381 /nfs/dbraw/zinc/78/53/81/563785381.db2.gz NWMMDGMDKCKDES-CQSZACIVSA-N 1 2 338.238 3.517 50 0 EHAALO Clc1ccccc1-c1noc(C[N@@H+]2CCc3ccccc3C2)n1 ZINC000016332740 563808943 /nfs/dbraw/zinc/80/89/43/563808943.db2.gz HNZQKOKMVPYLSQ-UHFFFAOYSA-N 1 2 325.799 3.948 50 0 EHAALO Clc1ccccc1-c1noc(C[N@H+]2CCc3ccccc3C2)n1 ZINC000016332740 563808946 /nfs/dbraw/zinc/80/89/46/563808946.db2.gz HNZQKOKMVPYLSQ-UHFFFAOYSA-N 1 2 325.799 3.948 50 0 EHAALO COc1cccc(C[N@H+](C)Cc2nc(C)c3ccccc3n2)c1OC ZINC000024372014 563871019 /nfs/dbraw/zinc/87/10/19/563871019.db2.gz KJBKGNVVRGDOKN-UHFFFAOYSA-N 1 2 337.423 3.587 50 0 EHAALO COc1cccc(C[N@@H+](C)Cc2nc(C)c3ccccc3n2)c1OC ZINC000024372014 563871024 /nfs/dbraw/zinc/87/10/24/563871024.db2.gz KJBKGNVVRGDOKN-UHFFFAOYSA-N 1 2 337.423 3.587 50 0 EHAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCc3ccccc3)n2)C1 ZINC000024887836 563877227 /nfs/dbraw/zinc/87/72/27/563877227.db2.gz CSFCPFMEYYMEDP-OAHLLOKOSA-N 1 2 343.496 3.946 50 0 EHAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCc3ccccc3)n2)C1 ZINC000024887836 563877230 /nfs/dbraw/zinc/87/72/30/563877230.db2.gz CSFCPFMEYYMEDP-OAHLLOKOSA-N 1 2 343.496 3.946 50 0 EHAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1cc2c(cccc2F)s1 ZINC000024900611 563877386 /nfs/dbraw/zinc/87/73/86/563877386.db2.gz OBSJRKKIOPYZGO-UHFFFAOYSA-N 1 2 338.367 3.873 50 0 EHAALO O=c1[nH]c(C[NH2+]C(c2ccccc2)c2ccccc2)nc2ccccc21 ZINC000025720972 563887706 /nfs/dbraw/zinc/88/77/06/563887706.db2.gz NSXNHZGITUYIMV-UHFFFAOYSA-N 1 2 341.414 3.802 50 0 EHAALO C[C@H](NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000029655619 563907851 /nfs/dbraw/zinc/90/78/51/563907851.db2.gz BIKHQVROWBVBSZ-HOTGVXAUSA-N 1 2 334.423 3.994 50 0 EHAALO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c(C)s1 ZINC000029987145 563909201 /nfs/dbraw/zinc/90/92/01/563909201.db2.gz QLHIHHUGBUNHLJ-MRXNPFEDSA-N 1 2 343.427 3.757 50 0 EHAALO Cc1cccc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)c1 ZINC000057524540 563935715 /nfs/dbraw/zinc/93/57/15/563935715.db2.gz SUMHGEVPBRCVLS-UHFFFAOYSA-N 1 2 327.457 3.537 50 0 EHAALO CSc1ccc(C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000057903554 563936069 /nfs/dbraw/zinc/93/60/69/563936069.db2.gz TVTZOYXCEWLKNO-UHFFFAOYSA-N 1 2 340.492 3.933 50 0 EHAALO Cc1cnc([C@@H]([NH2+][C@H](C)c2cn(-c3ccccc3)nn2)C2CC2)s1 ZINC000096478550 563955175 /nfs/dbraw/zinc/95/51/75/563955175.db2.gz MZCWPXBYIPTUGT-DYVFJYSZSA-N 1 2 339.468 3.834 50 0 EHAALO CS(=O)(=O)c1ccc(-c2[nH+]ccn2CCCc2ccccc2)cc1 ZINC000071715352 563964829 /nfs/dbraw/zinc/96/48/29/563964829.db2.gz ARCYDYLMOTUCQU-UHFFFAOYSA-N 1 2 340.448 3.586 50 0 EHAALO COc1ccc2cc([C@H]3C[N@H+](Cc4cccnc4)CCO3)ccc2c1 ZINC000071749369 563965053 /nfs/dbraw/zinc/96/50/53/563965053.db2.gz WXQHVVPGEHELER-OAQYLSRUSA-N 1 2 334.419 3.817 50 0 EHAALO COc1ccc2cc([C@H]3C[N@@H+](Cc4cccnc4)CCO3)ccc2c1 ZINC000071749369 563965054 /nfs/dbraw/zinc/96/50/54/563965054.db2.gz WXQHVVPGEHELER-OAQYLSRUSA-N 1 2 334.419 3.817 50 0 EHAALO COc1ccc2cc([C@@H]3CN(c4nc(C)[nH+]cc4C)CCO3)ccc2c1 ZINC000071760117 563965376 /nfs/dbraw/zinc/96/53/76/563965376.db2.gz AKCNIPPUCOYEQE-FQEVSTJZSA-N 1 2 349.434 3.833 50 0 EHAALO Cc1ccc(F)cc1NC(=O)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000072159454 563966297 /nfs/dbraw/zinc/96/62/97/563966297.db2.gz BFVVDHZIDCYPFY-INIZCTEOSA-N 1 2 330.407 3.807 50 0 EHAALO Cc1cccc(OC2CCN(c3ccc(Cn4cc[nH+]c4)cn3)CC2)c1 ZINC000077303739 563968868 /nfs/dbraw/zinc/96/88/68/563968868.db2.gz ZFVKILWSGLRSMV-UHFFFAOYSA-N 1 2 348.450 3.683 50 0 EHAALO CC(C)c1nc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000077356406 563969200 /nfs/dbraw/zinc/96/92/00/563969200.db2.gz DBCAJAMDEOHCDD-UHFFFAOYSA-N 1 2 340.452 3.724 50 0 EHAALO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3cnn(C)c3C3CC3)nc2c1 ZINC000077406643 563969425 /nfs/dbraw/zinc/96/94/25/563969425.db2.gz WCFVIOTZZZWCAW-GOSISDBHSA-N 1 2 335.455 3.819 50 0 EHAALO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3cnn(C)c3C3CC3)nc2c1 ZINC000077406643 563969426 /nfs/dbraw/zinc/96/94/26/563969426.db2.gz WCFVIOTZZZWCAW-GOSISDBHSA-N 1 2 335.455 3.819 50 0 EHAALO Cc1ccc2nc([C@H]3CCC[N@H+]3Cc3cnn(C)c3C3CC3)[nH]c2c1 ZINC000077406643 563969427 /nfs/dbraw/zinc/96/94/27/563969427.db2.gz WCFVIOTZZZWCAW-GOSISDBHSA-N 1 2 335.455 3.819 50 0 EHAALO Cc1ccc2nc([C@H]3CCC[N@@H+]3Cc3cnn(C)c3C3CC3)[nH]c2c1 ZINC000077406643 563969428 /nfs/dbraw/zinc/96/94/28/563969428.db2.gz WCFVIOTZZZWCAW-GOSISDBHSA-N 1 2 335.455 3.819 50 0 EHAALO CNC(=O)c1ccc(Cn2cc[nH+]c2-c2ccccc2-c2ccco2)o1 ZINC000077438619 563969676 /nfs/dbraw/zinc/96/96/76/563969676.db2.gz OEBCTWBAQFKOFT-UHFFFAOYSA-N 1 2 347.374 3.811 50 0 EHAALO C[NH+](C)CC[C@@H](c1ccccc1)n1cc[nH+]c1-c1ccc(C(=O)[O-])cc1 ZINC000077440098 563969736 /nfs/dbraw/zinc/96/97/36/563969736.db2.gz CCSFKFKAOFOQGL-IBGZPJMESA-N 1 2 349.434 3.789 50 0 EHAALO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)ccc1F ZINC000082109247 563972407 /nfs/dbraw/zinc/97/24/07/563972407.db2.gz DKGBNTXZVDXYJX-QGZVFWFLSA-N 1 2 341.430 3.760 50 0 EHAALO COc1cccc([C@@H]2CCCN2C(=O)Cc2c(C)[nH+]c3ccccn32)c1 ZINC000082120661 563972487 /nfs/dbraw/zinc/97/24/87/563972487.db2.gz WOHNHRSPJXTUIZ-SFHVURJKSA-N 1 2 349.434 3.558 50 0 EHAALO COc1cccc(F)c1[C@@H](C)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000176018687 563974786 /nfs/dbraw/zinc/97/47/86/563974786.db2.gz DTFRBFYSRJGOTI-OCCSQVGLSA-N 1 2 346.406 3.555 50 0 EHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(O)c(C)c2)C1 ZINC000095520523 563977350 /nfs/dbraw/zinc/97/73/50/563977350.db2.gz QHQKUXKKSBQERZ-KRWDZBQOSA-N 1 2 341.455 3.717 50 0 EHAALO O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)[C@@H]1CCCCO1 ZINC000097213061 563981390 /nfs/dbraw/zinc/98/13/90/563981390.db2.gz IAECWYBMRIVUEL-JMLCCBQJSA-N 1 2 341.455 3.522 50 0 EHAALO CCn1c2ccccc2[nH+]c1NCc1cc(OC)c(OC)c(OC)c1 ZINC000000240921 563989117 /nfs/dbraw/zinc/98/91/17/563989117.db2.gz KQXUVMMGWAEJST-UHFFFAOYSA-N 1 2 341.411 3.694 50 0 EHAALO O=S(=O)(Nc1c2ccccc2[nH+]c2c1CCCC2)c1cccs1 ZINC000005598908 564006216 /nfs/dbraw/zinc/00/62/16/564006216.db2.gz AMXUEIGXBSISSX-UHFFFAOYSA-N 1 2 344.461 3.976 50 0 EHAALO CC(C)(C)c1nnc(C[NH+]2CCC(OCc3ccccc3)CC2)o1 ZINC000046855696 564025456 /nfs/dbraw/zinc/02/54/56/564025456.db2.gz LFLIPDGMLWNOSV-UHFFFAOYSA-N 1 2 329.444 3.548 50 0 EHAALO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cccs1 ZINC000044966595 564027910 /nfs/dbraw/zinc/02/79/10/564027910.db2.gz FRXLTVAPVFOBAA-AWEZNQCLSA-N 1 2 344.484 3.694 50 0 EHAALO COc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)n2cc[nH+]c2)cc1 ZINC000047918488 564029764 /nfs/dbraw/zinc/02/97/64/564029764.db2.gz NZFFSVFCQVKEIZ-YJBOKZPZSA-N 1 2 327.428 3.597 50 0 EHAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(-c2ccccc2OC)cc1 ZINC000223356295 564039638 /nfs/dbraw/zinc/03/96/38/564039638.db2.gz XJPPQYXLEQHFJT-UHFFFAOYSA-N 1 2 349.434 3.758 50 0 EHAALO Cc1ccc[nH+]c1[C@@H]1CCC[C@H](Nc2ccc(CNC(N)=O)cc2)C1 ZINC000239667135 564051639 /nfs/dbraw/zinc/05/16/39/564051639.db2.gz BPBBGKWHCAOIHX-AEFFLSMTSA-N 1 2 338.455 3.697 50 0 EHAALO O=C(Cn1cc[nH+]c1)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000073669024 564061012 /nfs/dbraw/zinc/06/10/12/564061012.db2.gz GWFSANGUUVXKCF-UHFFFAOYSA-N 1 2 344.374 3.862 50 0 EHAALO O=C(Cn1cc[nH+]c1)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC000073729156 564061952 /nfs/dbraw/zinc/06/19/52/564061952.db2.gz NERUFAXJLAOSGL-UHFFFAOYSA-N 1 2 344.374 3.862 50 0 EHAALO Cc1ccc2oc(CN(Cc3ccco3)C(=O)Cn3cc[nH+]c3)cc2c1 ZINC000073891526 564066631 /nfs/dbraw/zinc/06/66/31/564066631.db2.gz ZTBAGVPOMSCDOJ-UHFFFAOYSA-N 1 2 349.390 3.760 50 0 EHAALO O=C(OCc1cccc2[nH+]ccn21)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000084425294 564068057 /nfs/dbraw/zinc/06/80/57/564068057.db2.gz XPXATBBXMNIAPP-HZPDHXFCSA-N 1 2 326.783 3.835 50 0 EHAALO COCc1nc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)cs1 ZINC000085301461 564072480 /nfs/dbraw/zinc/07/24/80/564072480.db2.gz MVOULBRGBFQZHZ-MRXNPFEDSA-N 1 2 330.457 3.653 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000575616127 564083423 /nfs/dbraw/zinc/08/34/23/564083423.db2.gz HIEGIQCNQKPZHF-INIZCTEOSA-N 1 2 344.418 3.913 50 0 EHAALO COC(=O)Nc1ccc(NCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000089401154 564089999 /nfs/dbraw/zinc/08/99/99/564089999.db2.gz FRJVJKLIHFFYJE-UHFFFAOYSA-N 1 2 336.395 3.722 50 0 EHAALO Cc1cccc2[nH+]c(CSc3nnc4c5ccccc5[nH]c4n3)cn21 ZINC000006553908 564091962 /nfs/dbraw/zinc/09/19/62/564091962.db2.gz ILCFQJJVMRIGRH-UHFFFAOYSA-N 1 2 346.419 3.755 50 0 EHAALO Cc1cc(Cl)cc2c1N(C(=O)c1cccc3[nH+]ccn31)CCC2 ZINC000089587411 564092991 /nfs/dbraw/zinc/09/29/91/564092991.db2.gz FHDXOHKKMDEKEF-UHFFFAOYSA-N 1 2 325.799 3.889 50 0 EHAALO CCS[C@H]1CCCC[C@H]1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000267400792 564093288 /nfs/dbraw/zinc/09/32/88/564093288.db2.gz MWLDAEHPVTXUPM-MSOLQXFVSA-N 1 2 343.496 3.726 50 0 EHAALO C[N@H+](Cn1c(-c2ccccn2)csc1=O)[C@@H]1CCc2ccccc21 ZINC000065522350 564106882 /nfs/dbraw/zinc/10/68/82/564106882.db2.gz FOEHEQZFTCUSQG-QGZVFWFLSA-N 1 2 337.448 3.549 50 0 EHAALO C[N@@H+](Cn1c(-c2ccccn2)csc1=O)[C@@H]1CCc2ccccc21 ZINC000065522350 564106883 /nfs/dbraw/zinc/10/68/83/564106883.db2.gz FOEHEQZFTCUSQG-QGZVFWFLSA-N 1 2 337.448 3.549 50 0 EHAALO CCO[C@@H](C)c1noc(CSCc2cn3cccc(C)c3[nH+]2)n1 ZINC000089985004 564116010 /nfs/dbraw/zinc/11/60/10/564116010.db2.gz OJYAINJGSNLPEY-LBPRGKRZSA-N 1 2 332.429 3.557 50 0 EHAALO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000252444213 564118467 /nfs/dbraw/zinc/11/84/67/564118467.db2.gz SJHNVOVXDVJUNX-ZIAGYGMSSA-N 1 2 344.480 3.553 50 0 EHAALO COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000252444213 564118468 /nfs/dbraw/zinc/11/84/68/564118468.db2.gz SJHNVOVXDVJUNX-ZIAGYGMSSA-N 1 2 344.480 3.553 50 0 EHAALO CCN(Cc1ccccc1Cl)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000253419194 564130951 /nfs/dbraw/zinc/13/09/51/564130951.db2.gz FHJDYWVBVVDADM-UHFFFAOYSA-N 1 2 344.833 3.666 50 0 EHAALO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccccc2OC)sc1C ZINC000253427755 564131212 /nfs/dbraw/zinc/13/12/12/564131212.db2.gz DRAOWWFRRMUSCS-CQSZACIVSA-N 1 2 346.452 3.584 50 0 EHAALO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccccc2OC)sc1C ZINC000253427755 564131213 /nfs/dbraw/zinc/13/12/13/564131213.db2.gz DRAOWWFRRMUSCS-CQSZACIVSA-N 1 2 346.452 3.584 50 0 EHAALO O=C(NCCn1cc[nH+]c1)Nc1cccc(COC2CCCCC2)c1 ZINC000079116920 564137983 /nfs/dbraw/zinc/13/79/83/564137983.db2.gz UCEARUNGLDYMKL-UHFFFAOYSA-N 1 2 342.443 3.554 50 0 EHAALO Cc1nc([C@H](C)[N@H+](C)CC(=O)NC2CC2)oc1-c1ccc(Cl)cc1 ZINC000096486687 564148664 /nfs/dbraw/zinc/14/86/64/564148664.db2.gz MRNSGUHJRVWMHV-LBPRGKRZSA-N 1 2 347.846 3.575 50 0 EHAALO Cc1nc([C@H](C)[N@@H+](C)CC(=O)NC2CC2)oc1-c1ccc(Cl)cc1 ZINC000096486687 564148665 /nfs/dbraw/zinc/14/86/65/564148665.db2.gz MRNSGUHJRVWMHV-LBPRGKRZSA-N 1 2 347.846 3.575 50 0 EHAALO c1nn(-c2ccccc2)c2nc[nH+]c(N3CCC[C@H]3c3ccccn3)c12 ZINC000057140355 564153299 /nfs/dbraw/zinc/15/32/99/564153299.db2.gz VKZGMYMMNFXUOD-SFHVURJKSA-N 1 2 342.406 3.552 50 0 EHAALO C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1cccc2ccccc21 ZINC000032084105 564160636 /nfs/dbraw/zinc/16/06/36/564160636.db2.gz IIOCAVFMDYCSDL-OAHLLOKOSA-N 1 2 329.403 3.907 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000008215998 564163636 /nfs/dbraw/zinc/16/36/36/564163636.db2.gz DKZPZSZGILIYRA-SFHVURJKSA-N 1 2 349.365 3.825 50 0 EHAALO C/C(=C/C(=O)NCCc1[nH+]ccn1C(F)F)c1ccccc1Cl ZINC000066659748 564163762 /nfs/dbraw/zinc/16/37/62/564163762.db2.gz WNPLPMBXSZARDA-KHPPLWFESA-N 1 2 339.773 3.694 50 0 EHAALO Cn1cc[nH+]c1[C@H](Nc1ncnc2ccsc21)c1ccc(F)cc1 ZINC000008705080 564166432 /nfs/dbraw/zinc/16/64/32/564166432.db2.gz XMSIHOMLAXHXIL-CQSZACIVSA-N 1 2 339.399 3.765 50 0 EHAALO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000040121323 564168254 /nfs/dbraw/zinc/16/82/54/564168254.db2.gz RZEXQJGSIMSDQC-LJQANCHMSA-N 1 2 337.467 3.664 50 0 EHAALO O=C(c1cc(Cl)sc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069659928 564171271 /nfs/dbraw/zinc/17/12/71/564171271.db2.gz LPIXTQGDBDMLHZ-VIFPVBQESA-N 1 2 330.240 3.729 50 0 EHAALO CCN(C(=O)c1cc(C)ccc1C)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000069701438 564171593 /nfs/dbraw/zinc/17/15/93/564171593.db2.gz NXHLJVRIRNXUBC-IBGZPJMESA-N 1 2 348.450 3.684 50 0 EHAALO C[C@@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccccc2Cl)C1 ZINC000009627296 564174318 /nfs/dbraw/zinc/17/43/18/564174318.db2.gz PFPAMTKWGLXZDN-GFCCVEGCSA-N 1 2 327.819 3.705 50 0 EHAALO C[C@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccccc2Cl)C1 ZINC000009627300 564174337 /nfs/dbraw/zinc/17/43/37/564174337.db2.gz PFPAMTKWGLXZDN-LBPRGKRZSA-N 1 2 327.819 3.705 50 0 EHAALO Cc1cc(C)cc(-n2ncc3c2nc[nH+]c3N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000009627436 564174340 /nfs/dbraw/zinc/17/43/40/564174340.db2.gz RWWCTOJKSVZEJL-HOTGVXAUSA-N 1 2 335.455 3.915 50 0 EHAALO Cc1ccsc1C[N@H+]1CCc2c(sc3ncnc(N(C)C)c23)C1 ZINC000169752246 1032604465 /nfs/dbraw/zinc/60/44/65/1032604465.db2.gz ONCOLEDEUOASBQ-UHFFFAOYSA-N 1 2 344.509 3.686 50 0 EHAALO Cc1ccsc1C[N@@H+]1CCc2c(sc3ncnc(N(C)C)c23)C1 ZINC000169752246 1032604472 /nfs/dbraw/zinc/60/44/72/1032604472.db2.gz ONCOLEDEUOASBQ-UHFFFAOYSA-N 1 2 344.509 3.686 50 0 EHAALO CCn1ccnc1C[NH2+]Cc1cccnc1Oc1ccc(F)c(F)c1 ZINC000012299746 1129499762 /nfs/dbraw/zinc/49/97/62/1129499762.db2.gz PZHUHFLOPCNXRK-UHFFFAOYSA-N 1 2 344.365 3.658 50 0 EHAALO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000051148139 214080590 /nfs/dbraw/zinc/08/05/90/214080590.db2.gz YOROJLCNEUKYJC-GFCCVEGCSA-N 1 2 328.416 3.932 50 0 EHAALO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000051148139 214080593 /nfs/dbraw/zinc/08/05/93/214080593.db2.gz YOROJLCNEUKYJC-GFCCVEGCSA-N 1 2 328.416 3.932 50 0 EHAALO Clc1cccc2ccc(C[N@@H+]3CCO[C@@H](c4cccnc4)C3)nc12 ZINC000097729563 219051531 /nfs/dbraw/zinc/05/15/31/219051531.db2.gz VRWNUGROCTUYSU-GOSISDBHSA-N 1 2 339.826 3.857 50 0 EHAALO Clc1cccc2ccc(C[N@H+]3CCO[C@@H](c4cccnc4)C3)nc12 ZINC000097729563 219051533 /nfs/dbraw/zinc/05/15/33/219051533.db2.gz VRWNUGROCTUYSU-GOSISDBHSA-N 1 2 339.826 3.857 50 0 EHAALO Cn1c(C2CC2)nn(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1=S ZINC000054569652 214244746 /nfs/dbraw/zinc/24/47/46/214244746.db2.gz IHZRFMZYDKBSQQ-HNNXBMFYSA-N 1 2 332.448 3.762 50 0 EHAALO Cn1c(C2CC2)nn(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1=S ZINC000054569652 214244748 /nfs/dbraw/zinc/24/47/48/214244748.db2.gz IHZRFMZYDKBSQQ-HNNXBMFYSA-N 1 2 332.448 3.762 50 0 EHAALO Cc1oc(-c2cccs2)nc1C[N@@H+](C)Cc1ccc2nonc2c1 ZINC000055165887 214282154 /nfs/dbraw/zinc/28/21/54/214282154.db2.gz QEYINZJAXAMDFR-UHFFFAOYSA-N 1 2 340.408 3.880 50 0 EHAALO Cc1oc(-c2cccs2)nc1C[N@H+](C)Cc1ccc2nonc2c1 ZINC000055165887 214282157 /nfs/dbraw/zinc/28/21/57/214282157.db2.gz QEYINZJAXAMDFR-UHFFFAOYSA-N 1 2 340.408 3.880 50 0 EHAALO CC[NH+]1CCN(C(=O)c2sc3cccc(Cl)c3c2Cl)CC1 ZINC000055301194 214303871 /nfs/dbraw/zinc/30/38/71/214303871.db2.gz HBTNAYAZHOUSRR-UHFFFAOYSA-N 1 2 343.279 3.986 50 0 EHAALO COc1ccc(C[N@H+](C)Cc2nc3ccccc3s2)c(OC)c1 ZINC000056696865 214385295 /nfs/dbraw/zinc/38/52/95/214385295.db2.gz WRXNQFFOXSRZED-UHFFFAOYSA-N 1 2 328.437 3.946 50 0 EHAALO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)c(OC)c1 ZINC000056696865 214385298 /nfs/dbraw/zinc/38/52/98/214385298.db2.gz WRXNQFFOXSRZED-UHFFFAOYSA-N 1 2 328.437 3.946 50 0 EHAALO O[C@](/C=C/c1ccc(Cl)cc1)(Cn1cc[nH+]c1)c1cccnc1 ZINC000004626500 210235737 /nfs/dbraw/zinc/23/57/37/210235737.db2.gz LFZUFGUVKIXHGG-LKGOPFMKSA-N 1 2 325.799 3.533 50 0 EHAALO COc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000004354541 210178638 /nfs/dbraw/zinc/17/86/38/210178638.db2.gz FMZBZEUHTDWOTP-UHFFFAOYSA-N 1 2 349.369 3.575 50 0 EHAALO CCOC(=O)c1c[nH+]c2ccccc2c1NCc1cn2ccccc2n1 ZINC000065226636 214846308 /nfs/dbraw/zinc/84/63/08/214846308.db2.gz IZAGNUXLBHSOAT-UHFFFAOYSA-N 1 2 346.390 3.671 50 0 EHAALO O=c1c2ccccc2sn1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003453671 210044056 /nfs/dbraw/zinc/04/40/56/210044056.db2.gz UBNKBHASYBXJBL-UHFFFAOYSA-N 1 2 338.476 3.975 50 0 EHAALO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000003356216 210016286 /nfs/dbraw/zinc/01/62/86/210016286.db2.gz ACRVAKDKIROJJL-LBPRGKRZSA-N 1 2 325.250 3.652 50 0 EHAALO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Br ZINC000003356216 210016290 /nfs/dbraw/zinc/01/62/90/210016290.db2.gz ACRVAKDKIROJJL-LBPRGKRZSA-N 1 2 325.250 3.652 50 0 EHAALO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000003325713 210007717 /nfs/dbraw/zinc/00/77/17/210007717.db2.gz UPHXNTPVPIXOEB-LJQANCHMSA-N 1 2 335.382 3.690 50 0 EHAALO Cc1nc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cs1 ZINC000067504664 215156168 /nfs/dbraw/zinc/15/61/68/215156168.db2.gz AXLUWBKBCFBRFX-NSHDSACASA-N 1 2 330.432 3.936 50 0 EHAALO COc1ccc(C)cc1-c1csc(NC(=O)[C@@H](C)n2cc[nH+]c2)n1 ZINC000040553428 213347991 /nfs/dbraw/zinc/34/79/91/213347991.db2.gz BHRLMLNRFLZUCM-GFCCVEGCSA-N 1 2 342.424 3.523 50 0 EHAALO C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000069386881 215397271 /nfs/dbraw/zinc/39/72/71/215397271.db2.gz MSNIKQNTMWUDEF-KGLIPLIRSA-N 1 2 344.434 3.526 50 0 EHAALO CCCOc1ccc2ccccc2c1C[N@H+](C)Cc1nnc(C)o1 ZINC000040465902 213308920 /nfs/dbraw/zinc/30/89/20/213308920.db2.gz LTSVGUZKHDDGMM-UHFFFAOYSA-N 1 2 325.412 3.952 50 0 EHAALO CCCOc1ccc2ccccc2c1C[N@@H+](C)Cc1nnc(C)o1 ZINC000040465902 213308923 /nfs/dbraw/zinc/30/89/23/213308923.db2.gz LTSVGUZKHDDGMM-UHFFFAOYSA-N 1 2 325.412 3.952 50 0 EHAALO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccccc3)o2)cc1F ZINC000040461264 213307472 /nfs/dbraw/zinc/30/74/72/213307472.db2.gz UUSJPSDIUMCLCQ-UHFFFAOYSA-N 1 2 327.359 3.516 50 0 EHAALO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccccc3)o2)cc1F ZINC000040461264 213307474 /nfs/dbraw/zinc/30/74/74/213307474.db2.gz UUSJPSDIUMCLCQ-UHFFFAOYSA-N 1 2 327.359 3.516 50 0 EHAALO Cc1ccccc1-n1ncc2c1nc[nH+]c2NCc1ccc(F)cc1 ZINC000035586165 213039997 /nfs/dbraw/zinc/03/99/97/213039997.db2.gz VMVLPLRZMNSWOE-UHFFFAOYSA-N 1 2 333.370 3.875 50 0 EHAALO CCc1ccc(CN(C)c2nccc(-c3ccc(C)[nH+]c3C)n2)nc1 ZINC000071750193 215807784 /nfs/dbraw/zinc/80/77/84/215807784.db2.gz OUWFJUPNLIAIQZ-UHFFFAOYSA-N 1 2 333.439 3.749 50 0 EHAALO Cc1cc2nc(C)cc(NCCCc3[nH]c4c(ccc(C)c4C)[nH+]3)n2n1 ZINC000072476674 216254861 /nfs/dbraw/zinc/25/48/61/216254861.db2.gz LUJHHAHZIDEXPN-UHFFFAOYSA-N 1 2 348.454 3.884 50 0 EHAALO OC1C[NH+](Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)C1 ZINC000072477079 216255437 /nfs/dbraw/zinc/25/54/37/216255437.db2.gz LKGGJKZBMNLSFK-UHFFFAOYSA-N 1 2 342.801 3.871 50 0 EHAALO Cc1cc(NC(=O)CCn2cc[nH+]c2-c2cccc(O)c2)ccc1F ZINC000072478505 216256791 /nfs/dbraw/zinc/25/67/91/216256791.db2.gz UXQKWHZGUGLOJO-UHFFFAOYSA-N 1 2 339.370 3.732 50 0 EHAALO c1coc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2cc(-c3ccccc3)no2)c1 ZINC000072479364 216258860 /nfs/dbraw/zinc/25/88/60/216258860.db2.gz ZFWKNXDGXPSQHB-FQEVSTJZSA-N 1 2 346.390 3.805 50 0 EHAALO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cn1c2ccccc2oc1=O ZINC000022239901 212284790 /nfs/dbraw/zinc/28/47/90/212284790.db2.gz FQLZJYXCFBVZSR-LBPRGKRZSA-N 1 2 339.420 3.855 50 0 EHAALO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cn1c2ccccc2oc1=O ZINC000022239901 212284792 /nfs/dbraw/zinc/28/47/92/212284792.db2.gz FQLZJYXCFBVZSR-LBPRGKRZSA-N 1 2 339.420 3.855 50 0 EHAALO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(c3nccs3)CC2)c1C ZINC000021335246 212221221 /nfs/dbraw/zinc/22/12/21/212221221.db2.gz AIZNWJKFZHBXMJ-UHFFFAOYSA-N 1 2 343.496 3.593 50 0 EHAALO O=C(Nc1ccc(F)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020457796 212132546 /nfs/dbraw/zinc/13/25/46/212132546.db2.gz NXCQQTIHTDTUHO-UHFFFAOYSA-N 1 2 347.821 3.829 50 0 EHAALO O=C(Nc1ccc(F)cc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020437214 212129081 /nfs/dbraw/zinc/12/90/81/212129081.db2.gz QRJPVHMTPUIEQB-UHFFFAOYSA-N 1 2 347.821 3.829 50 0 EHAALO Cc1cccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000020407967 212126611 /nfs/dbraw/zinc/12/66/11/212126611.db2.gz JRWGLWWJJLBUKJ-UHFFFAOYSA-N 1 2 328.843 3.606 50 0 EHAALO Cc1ccc([C@@H](c2c(O)[nH]c(=S)[nH]c2=O)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020156058 212107274 /nfs/dbraw/zinc/10/72/74/212107274.db2.gz LNLRSZDMUBBIOC-DOMZBBRYSA-N 1 2 345.468 3.680 50 0 EHAALO Cc1ccc([C@@H](c2c(O)[nH]c(=S)[nH]c2=O)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020156058 212107277 /nfs/dbraw/zinc/10/72/77/212107277.db2.gz LNLRSZDMUBBIOC-DOMZBBRYSA-N 1 2 345.468 3.680 50 0 EHAALO CC(=O)N1C[N@H+](CCc2ccccc2)Cc2c3c(sc21)CCCC3 ZINC000019879491 212078961 /nfs/dbraw/zinc/07/89/61/212078961.db2.gz RIURNVIGSBCHNQ-UHFFFAOYSA-N 1 2 340.492 3.996 50 0 EHAALO CC(=O)N1C[N@@H+](CCc2ccccc2)Cc2c3c(sc21)CCCC3 ZINC000019879491 212078963 /nfs/dbraw/zinc/07/89/63/212078963.db2.gz RIURNVIGSBCHNQ-UHFFFAOYSA-N 1 2 340.492 3.996 50 0 EHAALO CCOc1nnc(C[NH2+]C(C)(C)c2ccc(F)cc2Cl)s1 ZINC000079311724 217207552 /nfs/dbraw/zinc/20/75/52/217207552.db2.gz PJGJRCZUDYIJHO-UHFFFAOYSA-N 1 2 329.828 3.754 50 0 EHAALO c1c(CNc2ccccc2C[NH+]2CCOCC2)onc1-c1ccccc1 ZINC000079311340 217207681 /nfs/dbraw/zinc/20/76/81/217207681.db2.gz ZULBDLPHELUNIX-UHFFFAOYSA-N 1 2 349.434 3.786 50 0 EHAALO Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1Cl ZINC000012520293 211397860 /nfs/dbraw/zinc/39/78/60/211397860.db2.gz SWEIXRZLXUCCAB-UHFFFAOYSA-N 1 2 341.802 3.551 50 0 EHAALO Cn1ccc([C@H]2CCCC[N@@H+]2Cc2cc(=O)c3cccc(F)c3[nH]2)n1 ZINC000091424994 218003218 /nfs/dbraw/zinc/00/32/18/218003218.db2.gz YHDDBLJTOCCQHR-QGZVFWFLSA-N 1 2 340.402 3.540 50 0 EHAALO Cn1ccc([C@H]2CCCC[N@H+]2Cc2cc(=O)c3cccc(F)c3[nH]2)n1 ZINC000091424994 218003221 /nfs/dbraw/zinc/00/32/21/218003221.db2.gz YHDDBLJTOCCQHR-QGZVFWFLSA-N 1 2 340.402 3.540 50 0 EHAALO CCn1cc[nH+]c1CN(C)C(=O)Cc1c(C)[nH]c2c1c(C)ccc2C ZINC000091663624 218041833 /nfs/dbraw/zinc/04/18/33/218041833.db2.gz BMAFEPIMBLFFJH-UHFFFAOYSA-N 1 2 338.455 3.511 50 0 EHAALO COC(=O)c1c(Cn2cc[nH+]c2)nc2ccccc2c1-c1ccccc1 ZINC000010809743 211189936 /nfs/dbraw/zinc/18/99/36/211189936.db2.gz KLASVSMJJPOGDT-UHFFFAOYSA-N 1 2 343.386 3.933 50 0 EHAALO Cc1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000010260912 211158090 /nfs/dbraw/zinc/15/80/90/211158090.db2.gz LRCPKUGVGDXFKJ-KRWDZBQOSA-N 1 2 338.386 3.779 50 0 EHAALO Cc1cccnc1C[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000093169512 218199209 /nfs/dbraw/zinc/19/92/09/218199209.db2.gz XVGBJHAJBMYFIO-HNNXBMFYSA-N 1 2 331.485 3.718 50 0 EHAALO Cc1cccnc1C[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000093169512 218199212 /nfs/dbraw/zinc/19/92/12/218199212.db2.gz XVGBJHAJBMYFIO-HNNXBMFYSA-N 1 2 331.485 3.718 50 0 EHAALO Cc1cc(F)ccc1CC(=O)N1CCC[C@H](c2[nH+]ccn2C(C)C)C1 ZINC000095368488 218301508 /nfs/dbraw/zinc/30/15/08/218301508.db2.gz UZEWCAZNOYIHLK-KRWDZBQOSA-N 1 2 343.446 3.860 50 0 EHAALO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)c1cc2ccccc2o1 ZINC000095407175 218343108 /nfs/dbraw/zinc/34/31/08/218343108.db2.gz XFCVDAUSPKUHNE-CYBMUJFWSA-N 1 2 332.363 3.756 50 0 EHAALO Cc1cccc2[nH+]c(C[S@](=O)[C@H](C)c3ncc(C(C)(C)C)o3)cn21 ZINC000097370460 219015439 /nfs/dbraw/zinc/01/54/39/219015439.db2.gz OSTNKECIHBNATK-YEBMWUKDSA-N 1 2 345.468 3.938 50 0 EHAALO Cc1ccc(C[N@@H+](C)Cc2c(Cl)n(C)nc2-c2cc(C)on2)o1 ZINC000097578958 219036668 /nfs/dbraw/zinc/03/66/68/219036668.db2.gz VVOWDAUDMMENCL-UHFFFAOYSA-N 1 2 334.807 3.570 50 0 EHAALO Cc1ccc(C[N@H+](C)Cc2c(Cl)n(C)nc2-c2cc(C)on2)o1 ZINC000097578958 219036674 /nfs/dbraw/zinc/03/66/74/219036674.db2.gz VVOWDAUDMMENCL-UHFFFAOYSA-N 1 2 334.807 3.570 50 0 EHAALO COc1ccc(C[N@@H+](Cc2nccn2C(C)C)C[C@H]2CCCO2)cc1 ZINC000299798914 258102581 /nfs/dbraw/zinc/10/25/81/258102581.db2.gz ULSNNJAWMVZWGK-LJQANCHMSA-N 1 2 343.471 3.654 50 0 EHAALO COc1ccc(C[N@H+](Cc2nccn2C(C)C)C[C@H]2CCCO2)cc1 ZINC000299798914 258102584 /nfs/dbraw/zinc/10/25/84/258102584.db2.gz ULSNNJAWMVZWGK-LJQANCHMSA-N 1 2 343.471 3.654 50 0 EHAALO CC(=O)c1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000055031376 132192994 /nfs/dbraw/zinc/19/29/94/132192994.db2.gz JGGAAJKTIPEBGD-UHFFFAOYSA-N 1 2 328.843 3.865 50 0 EHAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1cc(Cl)ccc1Cl ZINC000005966134 563556239 /nfs/dbraw/zinc/55/62/39/563556239.db2.gz MIVWHORAOCIWGK-UHFFFAOYSA-N 1 2 335.234 3.990 50 0 EHAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1cc(Cl)ccc1Cl ZINC000005966134 563556241 /nfs/dbraw/zinc/55/62/41/563556241.db2.gz MIVWHORAOCIWGK-UHFFFAOYSA-N 1 2 335.234 3.990 50 0 EHAALO c1cn(CCCNc2nc(-c3ccccc3)nc3ccccc32)c[nH+]1 ZINC000012633284 563666473 /nfs/dbraw/zinc/66/64/73/563666473.db2.gz VFPBTPWEVUIFSE-UHFFFAOYSA-N 1 2 329.407 3.996 50 0 EHAALO c1c[nH+]c(CN2CCO[C@H](CC(c3ccccc3)c3ccccc3)C2)[nH]1 ZINC000015063189 563774178 /nfs/dbraw/zinc/77/41/78/563774178.db2.gz XZUGBJKSPPHOPO-HXUWFJFHSA-N 1 2 347.462 3.833 50 0 EHAALO O=C(NCCCn1cc[nH+]c1)Nc1ccccc1Oc1ccccc1 ZINC000043348742 563864933 /nfs/dbraw/zinc/86/49/33/563864933.db2.gz IHQFYHAUSZFCMG-UHFFFAOYSA-N 1 2 336.395 3.887 50 0 EHAALO CC(C)=C[C@H]1[C@H](C(=O)NCCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000024714815 563874453 /nfs/dbraw/zinc/87/44/53/563874453.db2.gz UYJXBYWMBOUMAO-MAUKXSAKSA-N 1 2 325.456 3.699 50 0 EHAALO C[C@@H](NC(=O)[C@@H](C)Sc1[nH+]cc2ccccn21)c1ccccc1 ZINC000026372348 563891193 /nfs/dbraw/zinc/89/11/93/563891193.db2.gz ZMNZZCZKESREKP-ZIAGYGMSSA-N 1 2 325.437 3.692 50 0 EHAALO c1cc(C[N@@H+](Cc2nc(C3CC3)no2)C2CCCC2)cc2c1OCO2 ZINC000029455666 563906325 /nfs/dbraw/zinc/90/63/25/563906325.db2.gz UAANMOYTMLASSZ-UHFFFAOYSA-N 1 2 341.411 3.621 50 0 EHAALO c1cc(C[N@H+](Cc2nc(C3CC3)no2)C2CCCC2)cc2c1OCO2 ZINC000029455666 563906328 /nfs/dbraw/zinc/90/63/28/563906328.db2.gz UAANMOYTMLASSZ-UHFFFAOYSA-N 1 2 341.411 3.621 50 0 EHAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC1CCCCCCC1 ZINC000029722747 563908018 /nfs/dbraw/zinc/90/80/18/563908018.db2.gz HHDDFTNHLPHXMT-UHFFFAOYSA-N 1 2 330.476 3.594 50 0 EHAALO CC(C)CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029734999 563908227 /nfs/dbraw/zinc/90/82/27/563908227.db2.gz WVXAXCQJGSBBQR-MRXNPFEDSA-N 1 2 348.878 3.898 50 0 EHAALO CCc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)sc1C ZINC000030011700 563909297 /nfs/dbraw/zinc/90/92/97/563909297.db2.gz BLMLAJGRJAYDDS-UHFFFAOYSA-N 1 2 329.469 3.544 50 0 EHAALO CC(C)c1csc([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)n1 ZINC000072297210 563912573 /nfs/dbraw/zinc/91/25/73/563912573.db2.gz VVEOKBWPTYDIBJ-HNNXBMFYSA-N 1 2 346.500 3.649 50 0 EHAALO O=C(NCCCn1cc[nH+]c1)Nc1ccc2nc(C3CC3)sc2c1 ZINC000058454624 563946555 /nfs/dbraw/zinc/94/65/55/563946555.db2.gz NMCDMPZWLABHOK-UHFFFAOYSA-N 1 2 341.440 3.582 50 0 EHAALO COc1cccc(-c2nc3ccccc3n2C)c1OCCn1cc[nH+]c1 ZINC000063834321 563956065 /nfs/dbraw/zinc/95/60/65/563956065.db2.gz VJSNGOUMSQWKKM-UHFFFAOYSA-N 1 2 348.406 3.524 50 0 EHAALO CC[NH+](CC)Cc1nnc2sc(/C=C/c3cccc(Cl)c3)nn12 ZINC000065363523 563958183 /nfs/dbraw/zinc/95/81/83/563958183.db2.gz LQBZITHSYONIIK-CMDGGOBGSA-N 1 2 347.875 3.851 50 0 EHAALO Cc1cc(N[C@H](C)c2nc(CC(C)C)no2)nc(-c2cccnc2)[nH+]1 ZINC000065526412 563961803 /nfs/dbraw/zinc/96/18/03/563961803.db2.gz JQZKIQKHMYAZFU-CYBMUJFWSA-N 1 2 338.415 3.602 50 0 EHAALO COC[C@H](O)Cn1cc[nH+]c1-c1cccc2c3ccccc3sc21 ZINC000071439426 563964409 /nfs/dbraw/zinc/96/44/09/563964409.db2.gz XZWSRZGSPZLPDX-CYBMUJFWSA-N 1 2 338.432 3.925 50 0 EHAALO CCOC(=O)N1CCC(n2cc[nH+]c2[C@H](C)c2ccccc2)CC1 ZINC000071762042 563965385 /nfs/dbraw/zinc/96/53/85/563965385.db2.gz JOXCPXASWGKOJD-OAHLLOKOSA-N 1 2 327.428 3.828 50 0 EHAALO Cc1ccc(C2=NN(C[NH+]3CCCCC3)C(=O)[C@@H]3CCCC[C@@H]23)cc1 ZINC000071782589 563965801 /nfs/dbraw/zinc/96/58/01/563965801.db2.gz AZBSOQZPYUMIOP-RTBURBONSA-N 1 2 339.483 3.791 50 0 EHAALO CC(C)c1noc([C@@H]2CCC[N@@H+]2CCCC(=O)c2ccccc2)n1 ZINC000077353404 563969132 /nfs/dbraw/zinc/96/91/32/563969132.db2.gz HNDYHNJBBDOPAA-INIZCTEOSA-N 1 2 327.428 3.993 50 0 EHAALO CC(C)c1noc([C@@H]2CCC[N@H+]2CCCC(=O)c2ccccc2)n1 ZINC000077353404 563969133 /nfs/dbraw/zinc/96/91/33/563969133.db2.gz HNDYHNJBBDOPAA-INIZCTEOSA-N 1 2 327.428 3.993 50 0 EHAALO CC(C)n1cc[nH+]c1CN1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000077407499 563969481 /nfs/dbraw/zinc/96/94/81/563969481.db2.gz MAEPMPILBHNLDF-MRXNPFEDSA-N 1 2 327.407 3.817 50 0 EHAALO O=C(N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1)C1(c2ccccc2)CC1 ZINC000082120481 563972456 /nfs/dbraw/zinc/97/24/56/563972456.db2.gz DFHPJCABBPTYQS-GOSISDBHSA-N 1 2 349.478 3.731 50 0 EHAALO CC(C)OC(=O)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000082137690 563972607 /nfs/dbraw/zinc/97/26/07/563972607.db2.gz VGKLPENDOQXKRG-UHFFFAOYSA-N 1 2 327.428 3.656 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000091320178 563975281 /nfs/dbraw/zinc/97/52/81/563975281.db2.gz RAHQUTXOLRERNE-GFCCVEGCSA-N 1 2 334.370 3.593 50 0 EHAALO O=C(c1ccc(F)cc1)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095521125 563977434 /nfs/dbraw/zinc/97/74/34/563977434.db2.gz BQXUKKYGERSVER-KRWDZBQOSA-N 1 2 341.430 3.842 50 0 EHAALO Cc1[nH]c2ccc(Cc3nc(-c4ccncc4)nn3C(C)(C)C)cc2[nH+]1 ZINC000096152600 563979682 /nfs/dbraw/zinc/97/96/82/563979682.db2.gz TUPPIGZJJLTDDM-UHFFFAOYSA-N 1 2 346.438 3.871 50 0 EHAALO Cc1[nH]c2cc(Cc3nc(-c4ccncc4)nn3C(C)(C)C)ccc2[nH+]1 ZINC000096152600 563979683 /nfs/dbraw/zinc/97/96/83/563979683.db2.gz TUPPIGZJJLTDDM-UHFFFAOYSA-N 1 2 346.438 3.871 50 0 EHAALO Cc1cc(Nc2ccc([NH+](C)C)cc2)n2nc(-c3ccccc3)nc2n1 ZINC000014610223 563986144 /nfs/dbraw/zinc/98/61/44/563986144.db2.gz QBZGRGGJDSGPMD-UHFFFAOYSA-N 1 2 344.422 3.909 50 0 EHAALO COC(=O)[C@@H](c1cccnc1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000121789090 563994242 /nfs/dbraw/zinc/99/42/42/563994242.db2.gz CGQVQJYQJQXXST-HXUWFJFHSA-N 1 2 349.434 3.657 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCC(=O)Nc1ccc2ncccc2c1 ZINC000005209227 564000647 /nfs/dbraw/zinc/00/06/47/564000647.db2.gz RHSFVBQMZDAJRR-UHFFFAOYSA-N 1 2 330.391 3.922 50 0 EHAALO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c(C)s1 ZINC000044890309 564027654 /nfs/dbraw/zinc/02/76/54/564027654.db2.gz KLVVNAMMDCLSMS-MRXNPFEDSA-N 1 2 343.427 3.757 50 0 EHAALO CCN(C(C)=O)c1nc(C[N@H+](CC)Cc2ccc(OC)cc2)cs1 ZINC000044975896 564027972 /nfs/dbraw/zinc/02/79/72/564027972.db2.gz VYHNNNOZVRSBDS-UHFFFAOYSA-N 1 2 347.484 3.547 50 0 EHAALO CCN(C(C)=O)c1nc(C[N@@H+](CC)Cc2ccc(OC)cc2)cs1 ZINC000044975896 564027973 /nfs/dbraw/zinc/02/79/73/564027973.db2.gz VYHNNNOZVRSBDS-UHFFFAOYSA-N 1 2 347.484 3.547 50 0 EHAALO CC(C)c1nsc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000108370994 564028174 /nfs/dbraw/zinc/02/81/74/564028174.db2.gz PSXMOKLBUKNIKG-KGLIPLIRSA-N 1 2 338.427 3.797 50 0 EHAALO CC(C)c1nsc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000108370994 564028175 /nfs/dbraw/zinc/02/81/75/564028175.db2.gz PSXMOKLBUKNIKG-KGLIPLIRSA-N 1 2 338.427 3.797 50 0 EHAALO CCCc1noc([C@@H](C)[NH+]2CCC([C@H](O)c3ccccc3)CC2)n1 ZINC000045914036 564028883 /nfs/dbraw/zinc/02/88/83/564028883.db2.gz DCTXTLBSHSXOOT-RDTXWAMCSA-N 1 2 329.444 3.529 50 0 EHAALO Cc1nc2ccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc2nc1C ZINC000045940316 564028909 /nfs/dbraw/zinc/02/89/09/564028909.db2.gz JTPDYFSIYYPHJH-UHFFFAOYSA-N 1 2 343.390 3.685 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)C1CC1 ZINC000222501994 564036891 /nfs/dbraw/zinc/03/68/91/564036891.db2.gz LQGMRBRCQJWXJF-MRXNPFEDSA-N 1 2 343.858 3.763 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C1CC1 ZINC000223247572 564039389 /nfs/dbraw/zinc/03/93/89/564039389.db2.gz OQSNSHHDMKPLFI-LJQANCHMSA-N 1 2 348.450 3.661 50 0 EHAALO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000225408329 564046478 /nfs/dbraw/zinc/04/64/78/564046478.db2.gz JGBTYLJLEKXBPZ-PMACEKPBSA-N 1 2 349.478 3.657 50 0 EHAALO O=C(CC(c1ccccc1)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000005942251 564057204 /nfs/dbraw/zinc/05/72/04/564057204.db2.gz HRDDQWZKRNAQQM-UHFFFAOYSA-N 1 2 333.435 3.612 50 0 EHAALO CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1cc[nH+]c(C)n1 ZINC000084488647 564068256 /nfs/dbraw/zinc/06/82/56/564068256.db2.gz PYQVZPZHWDWHSD-UHFFFAOYSA-N 1 2 339.226 3.557 50 0 EHAALO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121127211 564073197 /nfs/dbraw/zinc/07/31/97/564073197.db2.gz PQFLZCMOUXSUCC-CYBMUJFWSA-N 1 2 349.504 3.546 50 0 EHAALO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121127211 564073198 /nfs/dbraw/zinc/07/31/98/564073198.db2.gz PQFLZCMOUXSUCC-CYBMUJFWSA-N 1 2 349.504 3.546 50 0 EHAALO CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000074265474 564073482 /nfs/dbraw/zinc/07/34/82/564073482.db2.gz QYMAHQVWZVRHIC-MJGOQNOKSA-N 1 2 325.456 3.706 50 0 EHAALO O=c1[nH]c(C[N@@H+]2CCC[C@@H]2c2cccs2)nc2ccc(Cl)cc12 ZINC000012906309 564077836 /nfs/dbraw/zinc/07/78/36/564077836.db2.gz KPOWIKXBICJQMX-CQSZACIVSA-N 1 2 345.855 3.975 50 0 EHAALO O=c1[nH]c(C[N@H+]2CCC[C@@H]2c2cccs2)nc2ccc(Cl)cc12 ZINC000012906309 564077837 /nfs/dbraw/zinc/07/78/37/564077837.db2.gz KPOWIKXBICJQMX-CQSZACIVSA-N 1 2 345.855 3.975 50 0 EHAALO Cc1ccc([C@H](Nc2[nH+]cnc3c2cnn3C)c2cccs2)cc1 ZINC000012923215 564078415 /nfs/dbraw/zinc/07/84/15/564078415.db2.gz NWLCGIGDLNNMAK-INIZCTEOSA-N 1 2 335.436 3.935 50 0 EHAALO CCOc1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc(Cl)c1O ZINC000186719334 564079662 /nfs/dbraw/zinc/07/96/62/564079662.db2.gz QPSOCSZMXCYNMK-CYBMUJFWSA-N 1 2 349.818 3.535 50 0 EHAALO Cc1[nH+]c(-c2cn([C@H](c3cc(C)ccn3)C3CC3)nn2)c2ccccn12 ZINC000091505001 564087730 /nfs/dbraw/zinc/08/77/30/564087730.db2.gz LCCZVIKOBSFDDY-FQEVSTJZSA-N 1 2 344.422 3.604 50 0 EHAALO O=C(/C=C/c1ccccc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000065172893 564102301 /nfs/dbraw/zinc/10/23/01/564102301.db2.gz KIWRNASBEWHGPJ-ACCUITESSA-N 1 2 335.451 3.792 50 0 EHAALO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000007200718 564105744 /nfs/dbraw/zinc/10/57/44/564105744.db2.gz RGWROBLOWJUSBE-CYBMUJFWSA-N 1 2 333.391 3.968 50 0 EHAALO CCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)c1 ZINC000170594282 564109008 /nfs/dbraw/zinc/10/90/08/564109008.db2.gz JORRXUQZMCOIQK-LBPRGKRZSA-N 1 2 337.427 3.652 50 0 EHAALO Cc1ccc(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC000013325013 564111512 /nfs/dbraw/zinc/11/15/12/564111512.db2.gz QXBNEIWNKZDHMN-UHFFFAOYSA-N 1 2 343.402 3.610 50 0 EHAALO CCCn1nc(C)c(C[NH2+]Cc2c(F)c(F)cc(F)c2F)c1C ZINC000089960636 564115908 /nfs/dbraw/zinc/11/59/08/564115908.db2.gz GFSMTLBKCLWLPW-UHFFFAOYSA-N 1 2 329.341 3.756 50 0 EHAALO CC(=O)c1ccccc1NC(=O)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000007651407 564121540 /nfs/dbraw/zinc/12/15/40/564121540.db2.gz SCPSNLHSVBHLCK-UHFFFAOYSA-N 1 2 334.419 3.617 50 0 EHAALO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000007651407 564121541 /nfs/dbraw/zinc/12/15/41/564121541.db2.gz SCPSNLHSVBHLCK-UHFFFAOYSA-N 1 2 334.419 3.617 50 0 EHAALO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000007689767 564121978 /nfs/dbraw/zinc/12/19/78/564121978.db2.gz OOXLYOJDHCKKBW-CYBMUJFWSA-N 1 2 331.485 3.566 50 0 EHAALO C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000007689767 564121979 /nfs/dbraw/zinc/12/19/79/564121979.db2.gz OOXLYOJDHCKKBW-CYBMUJFWSA-N 1 2 331.485 3.566 50 0 EHAALO Cc1c[nH+]c([C@@H](C)n2cnc3sc(-c4ccccc4)cc3c2=O)[nH]1 ZINC000584885657 564131502 /nfs/dbraw/zinc/13/15/02/564131502.db2.gz PFHIHNYZJJTMJR-GFCCVEGCSA-N 1 2 336.420 3.766 50 0 EHAALO CC(C)n1cc[nH+]c1CNc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000095965289 564142917 /nfs/dbraw/zinc/14/29/17/564142917.db2.gz VKCGZCPBCWXGRY-OAHLLOKOSA-N 1 2 333.407 3.773 50 0 EHAALO CC(C)(C)c1nc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)cs1 ZINC000096403861 564147222 /nfs/dbraw/zinc/14/72/22/564147222.db2.gz QAGUKZGDDULYJB-MRXNPFEDSA-N 1 2 341.484 3.563 50 0 EHAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)ccc1F ZINC000057994253 564157042 /nfs/dbraw/zinc/15/70/42/564157042.db2.gz TTXGNADWYNTBJW-UHFFFAOYSA-N 1 2 329.762 3.595 50 0 EHAALO CCCc1noc([C@@H](C)[NH+]2CCC(OCc3ccccc3)CC2)n1 ZINC000069484037 564169827 /nfs/dbraw/zinc/16/98/27/564169827.db2.gz GSJJZWCWTRMYNG-OAHLLOKOSA-N 1 2 329.444 3.764 50 0 EHAALO O=C(Cc1csc2ccccc12)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069952226 564172912 /nfs/dbraw/zinc/17/29/12/564172912.db2.gz DXBWYXYCJUTPRI-HNNXBMFYSA-N 1 2 325.437 3.504 50 0 EHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3cnn(C)c3)cs2)o1 ZINC000070019451 564173337 /nfs/dbraw/zinc/17/33/37/564173337.db2.gz NITHQSZJYRNCKB-HNNXBMFYSA-N 1 2 328.441 3.782 50 0 EHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3cnn(C)c3)cs2)o1 ZINC000070019451 564173338 /nfs/dbraw/zinc/17/33/38/564173338.db2.gz NITHQSZJYRNCKB-HNNXBMFYSA-N 1 2 328.441 3.782 50 0 EHAALO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000070018737 564173364 /nfs/dbraw/zinc/17/33/64/564173364.db2.gz HZWPLCHGNFQFCC-CQSZACIVSA-N 1 2 347.890 3.893 50 0 EHAALO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000070018737 564173365 /nfs/dbraw/zinc/17/33/65/564173365.db2.gz HZWPLCHGNFQFCC-CQSZACIVSA-N 1 2 347.890 3.893 50 0 EHAALO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nnc(C3CCOCC3)[nH]2)c(C)c1 ZINC000257173977 1038292277 /nfs/dbraw/zinc/29/22/77/1038292277.db2.gz AXJQZPCVTRWXKB-SFHVURJKSA-N 1 2 340.471 3.653 50 0 EHAALO Cc1ccc(C[N@H+]2CCC[C@H]2c2nnc(C3CCOCC3)[nH]2)c(C)c1 ZINC000257173977 1038292284 /nfs/dbraw/zinc/29/22/84/1038292284.db2.gz AXJQZPCVTRWXKB-SFHVURJKSA-N 1 2 340.471 3.653 50 0 EHAALO c1ccc([C@H](Nc2ccc(N3CCOCC3)c[nH+]2)c2ccccn2)cc1 ZINC000181072029 1124502636 /nfs/dbraw/zinc/50/26/36/1124502636.db2.gz KZQJSCPNGFXHDK-NRFANRHFSA-N 1 2 346.434 3.515 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000581806519 1132367904 /nfs/dbraw/zinc/36/79/04/1132367904.db2.gz RPRUEMKWQUOTFF-LJQANCHMSA-N 1 2 346.434 3.731 50 0 EHAALO Cc1c[nH+]c([C@H]2CCN(C(=O)CC(C)C)C2)n1Cc1ccc(F)cc1 ZINC000581815470 1132372503 /nfs/dbraw/zinc/37/25/03/1132372503.db2.gz DELUYYPZWBPNJH-KRWDZBQOSA-N 1 2 343.446 3.741 50 0 EHAALO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)Cc1cscn1 ZINC000050931232 214073417 /nfs/dbraw/zinc/07/34/17/214073417.db2.gz CEVXTNVBTNSBOS-UHFFFAOYSA-N 1 2 327.409 3.504 50 0 EHAALO C[C@H](c1nccs1)[N@H+](C)Cc1ccc(Sc2ncccn2)o1 ZINC000055108775 214275018 /nfs/dbraw/zinc/27/50/18/214275018.db2.gz AZDLTFTVYLZQKY-LLVKDONJSA-N 1 2 332.454 3.870 50 0 EHAALO C[C@H](c1nccs1)[N@@H+](C)Cc1ccc(Sc2ncccn2)o1 ZINC000055108775 214275021 /nfs/dbraw/zinc/27/50/21/214275021.db2.gz AZDLTFTVYLZQKY-LLVKDONJSA-N 1 2 332.454 3.870 50 0 EHAALO CCc1nn(C)c(Cl)c1C[N@H+](Cc1ccccc1OC)C1CC1 ZINC000055253579 214296866 /nfs/dbraw/zinc/29/68/66/214296866.db2.gz NADUXXGSZGVRRP-UHFFFAOYSA-N 1 2 333.863 3.809 50 0 EHAALO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000055253579 214296869 /nfs/dbraw/zinc/29/68/69/214296869.db2.gz NADUXXGSZGVRRP-UHFFFAOYSA-N 1 2 333.863 3.809 50 0 EHAALO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@H](C)C(=O)[C@@H]2C)cc1 ZINC000055439861 214323575 /nfs/dbraw/zinc/32/35/75/214323575.db2.gz RVYZVGKIODSCSZ-YKLJGAPNSA-N 1 2 339.435 3.931 50 0 EHAALO Cc1ccn2cc(CNC(=O)Nc3cccc4cnccc43)[nH+]c2c1 ZINC000056532225 214379578 /nfs/dbraw/zinc/37/95/78/214379578.db2.gz GEUXINKUBVAVCO-UHFFFAOYSA-N 1 2 331.379 3.513 50 0 EHAALO c1ccc2[nH]c([C@@H](Cc3[nH]c4ccccc4[nH+]3)[C@@H]3CCCO3)nc2c1 ZINC000003984976 210097670 /nfs/dbraw/zinc/09/76/70/210097670.db2.gz HPCNQEOWJMLLPC-UGSOOPFHSA-N 1 2 332.407 3.945 50 0 biogenic EHAALO O=C(CC1=CSC2=[NH+]CCCN12)N1CCCCC[C@@H]1c1ccco1 ZINC000102222425 219191224 /nfs/dbraw/zinc/19/12/24/219191224.db2.gz DFFHMWROTQJEDA-OAHLLOKOSA-N 1 2 345.468 3.763 50 0 EHAALO CC(C)(C)C(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000003537474 210049608 /nfs/dbraw/zinc/04/96/08/210049608.db2.gz HYJRKPXAWWPNRG-UHFFFAOYSA-N 1 2 326.425 3.523 50 0 EHAALO Cc1nc(C2=C(N)N(c3ccc([NH+](C)C)cc3)CC2=O)sc1C ZINC000102729038 219225212 /nfs/dbraw/zinc/22/52/12/219225212.db2.gz RGGXZPPZVVIRIA-UHFFFAOYSA-N 1 2 328.441 3.593 50 0 EHAALO Cc1ccc(C(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)c1 ZINC000067206291 215124254 /nfs/dbraw/zinc/12/42/54/215124254.db2.gz JQIOBAJWDKCYSC-UHFFFAOYSA-N 1 2 336.479 3.925 50 0 EHAALO Cc1noc(C)c1C[N@@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067676194 215182541 /nfs/dbraw/zinc/18/25/41/215182541.db2.gz UCXSGHMKLZPXII-UHFFFAOYSA-N 1 2 347.422 3.633 50 0 EHAALO Cc1noc(C)c1C[N@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067676194 215182545 /nfs/dbraw/zinc/18/25/45/215182545.db2.gz UCXSGHMKLZPXII-UHFFFAOYSA-N 1 2 347.422 3.633 50 0 EHAALO Cc1nc(-c2ccccc2)c(C(=O)Nc2c[nH+]c3n2CCCC3)s1 ZINC000067894511 215244063 /nfs/dbraw/zinc/24/40/63/215244063.db2.gz LZPHUXGWFAHPFK-UHFFFAOYSA-N 1 2 338.436 3.904 50 0 EHAALO COC(=O)c1oc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1C ZINC000040153711 213274306 /nfs/dbraw/zinc/27/43/06/213274306.db2.gz FGEUHTAYNGPPLD-INIZCTEOSA-N 1 2 349.814 3.602 50 0 EHAALO COC(=O)c1oc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1C ZINC000040153711 213274309 /nfs/dbraw/zinc/27/43/09/213274309.db2.gz FGEUHTAYNGPPLD-INIZCTEOSA-N 1 2 349.814 3.602 50 0 EHAALO O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000036709751 213111903 /nfs/dbraw/zinc/11/19/03/213111903.db2.gz AXUGPDWVNFLDEQ-HXUWFJFHSA-N 1 2 331.419 3.739 50 0 EHAALO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)sc1C ZINC000029987065 212687699 /nfs/dbraw/zinc/68/76/99/212687699.db2.gz VLYGUFBRNBTTIZ-MRXNPFEDSA-N 1 2 325.437 3.618 50 0 EHAALO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2nc([C@@H](C)OCC)no2)C1(C)C ZINC000072311065 216147478 /nfs/dbraw/zinc/14/74/78/216147478.db2.gz FIGJLMWLZLGTCW-QLFBSQMISA-N 1 2 339.480 3.583 50 0 EHAALO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc([C@@H](C)OCC)no2)C1(C)C ZINC000072311065 216147480 /nfs/dbraw/zinc/14/74/80/216147480.db2.gz FIGJLMWLZLGTCW-QLFBSQMISA-N 1 2 339.480 3.583 50 0 EHAALO COc1ccc(NC(C)=O)cc1-n1cc[nH+]c1[C@@H](C)c1ccccc1 ZINC000072411919 216204152 /nfs/dbraw/zinc/20/41/52/216204152.db2.gz LOWFROHZVJBSOY-AWEZNQCLSA-N 1 2 335.407 3.991 50 0 EHAALO Cc1ccccc1-c1cccc(-c2[nH+]ccn2CCn2cnnc2)c1 ZINC000072430925 216224183 /nfs/dbraw/zinc/22/41/83/216224183.db2.gz XHMQMJLTFDMINQ-UHFFFAOYSA-N 1 2 329.407 3.817 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1Cl)c1cccc(F)c1 ZINC000023778485 212394744 /nfs/dbraw/zinc/39/47/44/212394744.db2.gz ALTKAXFQJJIXJL-INIZCTEOSA-N 1 2 343.789 3.732 50 0 EHAALO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc1CO ZINC000215330736 241120454 /nfs/dbraw/zinc/12/04/54/241120454.db2.gz HSSLIYZIHAQUMA-INIZCTEOSA-N 1 2 332.469 3.761 50 0 EHAALO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)cc1CO ZINC000215330736 241120459 /nfs/dbraw/zinc/12/04/59/241120459.db2.gz HSSLIYZIHAQUMA-INIZCTEOSA-N 1 2 332.469 3.761 50 0 EHAALO Cc1nnc([C@@H]2CCC[N@@H+]2Cc2cnc(-c3ccccc3C)s2)[nH]1 ZINC000215743594 241145272 /nfs/dbraw/zinc/14/52/72/241145272.db2.gz OISTYOXZSXONMU-INIZCTEOSA-N 1 2 339.468 3.882 50 0 EHAALO Cc1nnc([C@@H]2CCC[N@H+]2Cc2cnc(-c3ccccc3C)s2)[nH]1 ZINC000215743594 241145275 /nfs/dbraw/zinc/14/52/75/241145275.db2.gz OISTYOXZSXONMU-INIZCTEOSA-N 1 2 339.468 3.882 50 0 EHAALO COc1cc2c(cc1C[N@@H+]1CC[C@@H]1c1ccc(F)cc1)OCCCO2 ZINC000215522481 241131635 /nfs/dbraw/zinc/13/16/35/241131635.db2.gz BGRXJWBMMXTRGM-QGZVFWFLSA-N 1 2 343.398 3.943 50 0 EHAALO COc1cc2c(cc1C[N@H+]1CC[C@@H]1c1ccc(F)cc1)OCCCO2 ZINC000215522481 241131640 /nfs/dbraw/zinc/13/16/40/241131640.db2.gz BGRXJWBMMXTRGM-QGZVFWFLSA-N 1 2 343.398 3.943 50 0 EHAALO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000021579276 212233504 /nfs/dbraw/zinc/23/35/04/212233504.db2.gz ALWRAZKZZINLKL-SECBINFHSA-N 1 2 344.267 3.909 50 0 EHAALO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000021579276 212233506 /nfs/dbraw/zinc/23/35/06/212233506.db2.gz ALWRAZKZZINLKL-SECBINFHSA-N 1 2 344.267 3.909 50 0 EHAALO CC[NH+](CC)CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O ZINC000020266013 212114954 /nfs/dbraw/zinc/11/49/54/212114954.db2.gz AOEJXZVIQVEOKO-OQLLNIDSSA-N 1 2 329.425 3.504 50 0 EHAALO COc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000019781719 212065086 /nfs/dbraw/zinc/06/50/86/212065086.db2.gz YOOAOEMLXLGJME-UHFFFAOYSA-N 1 2 330.859 3.666 50 0 EHAALO O=C(/C=C/c1cccs1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019782525 212066583 /nfs/dbraw/zinc/06/65/83/212066583.db2.gz UGGYTTRVSNBPIG-IBYINHFXSA-N 1 2 338.476 3.619 50 0 EHAALO C[N@@H+](Cc1ccccc1)Cn1ncn(-c2ccccc2F)c1=S ZINC000012517609 211396011 /nfs/dbraw/zinc/39/60/11/211396011.db2.gz RUHZEIJZSUTXNG-UHFFFAOYSA-N 1 2 328.416 3.632 50 0 EHAALO C[N@H+](Cc1ccccc1)Cn1ncn(-c2ccccc2F)c1=S ZINC000012517609 211396014 /nfs/dbraw/zinc/39/60/14/211396014.db2.gz RUHZEIJZSUTXNG-UHFFFAOYSA-N 1 2 328.416 3.632 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000012506859 211395652 /nfs/dbraw/zinc/39/56/52/211395652.db2.gz SYSWTDKIERQZPC-MRXNPFEDSA-N 1 2 325.799 3.593 50 0 EHAALO O=C(NC1CCCC1)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091548223 218020868 /nfs/dbraw/zinc/02/08/68/218020868.db2.gz SFDMTJWFPZOOKC-UHFFFAOYSA-N 1 2 330.476 3.515 50 0 EHAALO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000011255711 211210513 /nfs/dbraw/zinc/21/05/13/211210513.db2.gz PWMDHBDUHYDITM-SNVBAGLBSA-N 1 2 342.226 3.749 50 0 EHAALO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000011255711 211210519 /nfs/dbraw/zinc/21/05/19/211210519.db2.gz PWMDHBDUHYDITM-SNVBAGLBSA-N 1 2 342.226 3.749 50 0 EHAALO Cc1cc(Br)c(NC(=O)C[NH+]2CCC(C)CC2)cc1C ZINC000010495503 211177389 /nfs/dbraw/zinc/17/73/89/211177389.db2.gz QHLZDAYOKFJZMK-UHFFFAOYSA-N 1 2 339.277 3.736 50 0 EHAALO CC[N@H+](CCCNC(=O)c1cncn1-c1ccccc1)c1ccccc1 ZINC000009919484 211133598 /nfs/dbraw/zinc/13/35/98/211133598.db2.gz PPOCLOVBBGSHJU-UHFFFAOYSA-N 1 2 348.450 3.519 50 0 EHAALO CC[N@@H+](CCCNC(=O)c1cncn1-c1ccccc1)c1ccccc1 ZINC000009919484 211133602 /nfs/dbraw/zinc/13/36/02/211133602.db2.gz PPOCLOVBBGSHJU-UHFFFAOYSA-N 1 2 348.450 3.519 50 0 EHAALO COc1cccc(CNc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)c1 ZINC000009513567 211095511 /nfs/dbraw/zinc/09/55/11/211095511.db2.gz VAMMUHNJRKGGAS-UHFFFAOYSA-N 1 2 349.369 3.575 50 0 EHAALO COc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000009497576 211092636 /nfs/dbraw/zinc/09/26/36/211092636.db2.gz OCJFPARZGHDSOF-UHFFFAOYSA-N 1 2 349.369 3.575 50 0 EHAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccccc2F)C1 ZINC000095377250 218310567 /nfs/dbraw/zinc/31/05/67/218310567.db2.gz HFHRJSQKELBTAG-MRXNPFEDSA-N 1 2 344.434 3.692 50 0 EHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N(C)Cc2ccccc2)cc1 ZINC000008583018 210968058 /nfs/dbraw/zinc/96/80/58/210968058.db2.gz UGDSHIVTAZKDHL-UHFFFAOYSA-N 1 2 329.407 3.760 50 0 EHAALO C[C@@H]([NH2+]Cc1noc2c1CCCC2)c1cccc(N2CCCC2=O)c1 ZINC000096491317 218869347 /nfs/dbraw/zinc/86/93/47/218869347.db2.gz FKICNPMIWPFFTG-CQSZACIVSA-N 1 2 339.439 3.531 50 0 EHAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccccc1C(F)(F)F ZINC000004857051 210303444 /nfs/dbraw/zinc/30/34/44/210303444.db2.gz YSFXRRUGJGSIOZ-UHFFFAOYSA-N 1 2 334.341 3.702 50 0 EHAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccccc1C(F)(F)F ZINC000004857051 210303448 /nfs/dbraw/zinc/30/34/48/210303448.db2.gz YSFXRRUGJGSIOZ-UHFFFAOYSA-N 1 2 334.341 3.702 50 0 EHAALO CCCn1cc[nH+]c1CNC(=O)Nc1ccccc1O[C@H](C)CC ZINC000097295388 219010161 /nfs/dbraw/zinc/01/01/61/219010161.db2.gz IANZFZDRYKQQFD-CQSZACIVSA-N 1 2 330.432 3.792 50 0 EHAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1c(F)cccc1Cl)C2 ZINC000112670895 220369639 /nfs/dbraw/zinc/36/96/39/220369639.db2.gz WHVHNRGLFKDHPG-UHFFFAOYSA-N 1 2 335.810 3.535 50 0 EHAALO Cc1cccc(N2CC[NH+](Cc3coc4ccccc4c3=O)CC2)c1C ZINC000055543685 132195697 /nfs/dbraw/zinc/19/56/97/132195697.db2.gz ULLLOGWCYAKWLN-UHFFFAOYSA-N 1 2 348.446 3.732 50 0 EHAALO Cc1ccccc1C[N@@H+]1CCN(c2ccc3c(c2)CCC3)C(=O)[C@H]1C ZINC000037519566 132394078 /nfs/dbraw/zinc/39/40/78/132394078.db2.gz CLOPWRFRZGIOJT-QGZVFWFLSA-N 1 2 334.463 3.721 50 0 EHAALO Cc1ccccc1C[N@H+]1CCN(c2ccc3c(c2)CCC3)C(=O)[C@H]1C ZINC000037519566 132394080 /nfs/dbraw/zinc/39/40/80/132394080.db2.gz CLOPWRFRZGIOJT-QGZVFWFLSA-N 1 2 334.463 3.721 50 0 EHAALO CC(F)(F)c1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000187031281 528744045 /nfs/dbraw/zinc/74/40/45/528744045.db2.gz ZORJFOLPRAMHIB-HNNXBMFYSA-N 1 2 346.381 3.594 50 0 EHAALO C[N@@H+](CC(=O)NC1CCCCC1)Cc1ccc(Cl)cc1Cl ZINC000013071411 564135981 /nfs/dbraw/zinc/13/59/81/564135981.db2.gz BEKDXXDDWUBPES-UHFFFAOYSA-N 1 2 329.271 3.874 50 0 EHAALO CC(C)(C)n1c[nH+]c2cc(NS(=O)(=O)c3ccccc3)ccc21 ZINC000000549145 563344848 /nfs/dbraw/zinc/34/48/48/563344848.db2.gz FBHVOHCJXANYAI-UHFFFAOYSA-N 1 2 329.425 3.592 50 0 EHAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C1=C(Cl)CCCC1 ZINC000071903575 563556557 /nfs/dbraw/zinc/55/65/57/563556557.db2.gz SVNDAKWPXWXIFT-UHFFFAOYSA-N 1 2 329.831 3.615 50 0 EHAALO Cc1ccc(N2CC[NH+](Cc3ccc(Br)o3)CC2)cc1 ZINC000006667485 563577037 /nfs/dbraw/zinc/57/70/37/563577037.db2.gz ATQIMXIKVXMAMT-UHFFFAOYSA-N 1 2 335.245 3.673 50 0 EHAALO CC(C)(C(=O)NCCc1[nH+]ccn1C(F)F)c1cccc(Cl)c1 ZINC000071914855 563612709 /nfs/dbraw/zinc/61/27/09/563612709.db2.gz OAJBXLFNIDVSHP-UHFFFAOYSA-N 1 2 341.789 3.568 50 0 EHAALO CCCCc1[nH+]c2ccccc2n1CC(=O)NCc1ccc(F)cc1 ZINC000008746614 563639444 /nfs/dbraw/zinc/63/94/44/563639444.db2.gz UGQMFQHCFHELND-UHFFFAOYSA-N 1 2 339.414 3.834 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000014400774 563758859 /nfs/dbraw/zinc/75/88/59/563758859.db2.gz DITCGNPROQRHLT-GOSISDBHSA-N 1 2 348.381 3.560 50 0 EHAALO CCc1nnc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)o1 ZINC000032865284 563766044 /nfs/dbraw/zinc/76/60/44/563766044.db2.gz MSGDPIGCTKUVHZ-UHFFFAOYSA-N 1 2 328.441 3.621 50 0 EHAALO Cc1cccn2cc(CSc3n[nH]c(Cc4cccs4)n3)[nH+]c12 ZINC000032893250 563782747 /nfs/dbraw/zinc/78/27/47/563782747.db2.gz OXRPAJFJVXITEL-UHFFFAOYSA-N 1 2 341.465 3.705 50 0 EHAALO C[N@H+](Cn1ncc(Cl)c(Cl)c1=O)[C@H]1CCCc2ccccc21 ZINC000032899426 563785368 /nfs/dbraw/zinc/78/53/68/563785368.db2.gz NWMMDGMDKCKDES-AWEZNQCLSA-N 1 2 338.238 3.517 50 0 EHAALO C[N@@H+](Cn1ncc(Cl)c(Cl)c1=O)[C@H]1CCCc2ccccc21 ZINC000032899426 563785370 /nfs/dbraw/zinc/78/53/70/563785370.db2.gz NWMMDGMDKCKDES-AWEZNQCLSA-N 1 2 338.238 3.517 50 0 EHAALO CCCc1cc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(O)c(OC)c2)no1 ZINC000015866896 563797768 /nfs/dbraw/zinc/79/77/68/563797768.db2.gz FMVNYAPCVKBOPU-MRXNPFEDSA-N 1 2 346.427 3.687 50 0 EHAALO CCCc1cc([C@H]2CCC[N@H+]2Cc2cc(OC)c(O)c(OC)c2)no1 ZINC000015866896 563797772 /nfs/dbraw/zinc/79/77/72/563797772.db2.gz FMVNYAPCVKBOPU-MRXNPFEDSA-N 1 2 346.427 3.687 50 0 EHAALO CCCc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000016603051 563816343 /nfs/dbraw/zinc/81/63/43/563816343.db2.gz RGQKUDZLVIUXJR-UHFFFAOYSA-N 1 2 328.481 3.659 50 0 EHAALO Cc1cc(C)cc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000016903723 563825334 /nfs/dbraw/zinc/82/53/34/563825334.db2.gz NEMHDDDDKNOAFC-KRWDZBQOSA-N 1 2 336.435 3.970 50 0 EHAALO CCc1ccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000016903739 563825688 /nfs/dbraw/zinc/82/56/88/563825688.db2.gz CCKKSTKXUGKKGV-KRWDZBQOSA-N 1 2 336.435 3.916 50 0 EHAALO CCc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000016903741 563825717 /nfs/dbraw/zinc/82/57/17/563825717.db2.gz CCKKSTKXUGKKGV-QGZVFWFLSA-N 1 2 336.435 3.916 50 0 EHAALO Cc1cccc(Nc2c(C(=O)N3CCOCC3)c[nH+]c3ccccc32)c1 ZINC000017135412 563838110 /nfs/dbraw/zinc/83/81/10/563838110.db2.gz QQAFXPLUSPGLHQ-UHFFFAOYSA-N 1 2 347.418 3.759 50 0 EHAALO COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000025452518 563885205 /nfs/dbraw/zinc/88/52/05/563885205.db2.gz IIAQMCLEXATVEU-ZDUSSCGKSA-N 1 2 339.370 3.511 50 0 EHAALO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)sc1C ZINC000030000512 563909163 /nfs/dbraw/zinc/90/91/63/563909163.db2.gz XCRZPWAMHHVVKN-INIZCTEOSA-N 1 2 343.427 3.757 50 0 EHAALO Cc1ccc2[nH+]c(COC(=O)c3ccccc3OC(F)F)cn2c1 ZINC000030592454 563910080 /nfs/dbraw/zinc/91/00/80/563910080.db2.gz CMFFCMCDAXQXDQ-UHFFFAOYSA-N 1 2 332.306 3.601 50 0 EHAALO CCCc1nc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cs1 ZINC000072299939 563912750 /nfs/dbraw/zinc/91/27/50/563912750.db2.gz OASGLMWKCFQUQO-ZDUSSCGKSA-N 1 2 332.473 3.736 50 0 EHAALO CCCc1nc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cs1 ZINC000072299939 563912752 /nfs/dbraw/zinc/91/27/52/563912752.db2.gz OASGLMWKCFQUQO-ZDUSSCGKSA-N 1 2 332.473 3.736 50 0 EHAALO O=C(C[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1)N1CCCCC1 ZINC000058341390 563942895 /nfs/dbraw/zinc/94/28/95/563942895.db2.gz VJCGOAYBYPZGSO-INIZCTEOSA-N 1 2 343.496 3.836 50 0 EHAALO O=C(C[N@H+]1CCCC[C@H]1c1nc2ccccc2s1)N1CCCCC1 ZINC000058341390 563942896 /nfs/dbraw/zinc/94/28/96/563942896.db2.gz VJCGOAYBYPZGSO-INIZCTEOSA-N 1 2 343.496 3.836 50 0 EHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3c(s2)CCC3)c1C ZINC000058958579 563947524 /nfs/dbraw/zinc/94/75/24/563947524.db2.gz VVYUJEOPGUVVFY-UHFFFAOYSA-N 1 2 330.453 3.529 50 0 EHAALO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(C(C)C)o3)ccc2NC1=O ZINC000096492089 563955699 /nfs/dbraw/zinc/95/56/99/563955699.db2.gz PNELWFZHFHORQH-WFASDCNBSA-N 1 2 343.427 3.758 50 0 EHAALO COc1ccc(Cl)cc1-n1nc(C2CC2)nc1[C@H](C)n1cc[nH+]c1 ZINC000065435579 563960900 /nfs/dbraw/zinc/96/09/00/563960900.db2.gz YZRLUJLAZHINIZ-NSHDSACASA-N 1 2 343.818 3.613 50 0 EHAALO CC[C@H](c1ccncc1)n1cc[nH+]c1-c1cc2c(c(OC)c1)OCO2 ZINC000071738770 563964933 /nfs/dbraw/zinc/96/49/33/563964933.db2.gz PNIBAEHCNCMCFA-OAHLLOKOSA-N 1 2 337.379 3.682 50 0 EHAALO Cc1nc(-c2cccc(-n3cc[nH+]c3[C@@H]3CCOC(C)(C)C3)c2)n[nH]1 ZINC000071748947 563965081 /nfs/dbraw/zinc/96/50/81/563965081.db2.gz XIPNYCQZPUACPF-OAHLLOKOSA-N 1 2 337.427 3.638 50 0 EHAALO COc1cccc(C(=O)[C@@H]2CCCN(c3cc(C(C)C)[nH+]cn3)C2)c1 ZINC000071751658 563965172 /nfs/dbraw/zinc/96/51/72/563965172.db2.gz VTIDOWJZBRVHHL-MRXNPFEDSA-N 1 2 339.439 3.708 50 0 EHAALO C[C@@H](Cn1cc[nH+]c1-c1ccnc2ccccc21)Oc1cccnc1 ZINC000071775680 563965784 /nfs/dbraw/zinc/96/57/84/563965784.db2.gz WINOWRXYVKRUSM-HNNXBMFYSA-N 1 2 330.391 3.961 50 0 EHAALO O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075553086 563967352 /nfs/dbraw/zinc/96/73/52/563967352.db2.gz XMSXNYXFYSOKBL-LLVKDONJSA-N 1 2 344.465 3.615 50 0 EHAALO Cc1cc(C(=O)NCC[C@H](C)n2cc[nH+]c2)c2ccc(C)c(C)c2n1 ZINC000077342488 563969079 /nfs/dbraw/zinc/96/90/79/563969079.db2.gz LFQLVFYKOKINKZ-HNNXBMFYSA-N 1 2 336.439 3.738 50 0 EHAALO Fc1cccc(C2(Cn3cc[nH+]c3-c3ccncc3)CCOCC2)c1 ZINC000077406068 563969415 /nfs/dbraw/zinc/96/94/15/563969415.db2.gz PPHTZHHVMZHYGT-UHFFFAOYSA-N 1 2 337.398 3.833 50 0 EHAALO Cc1cc(-c2[nH+]ccn2CCC(=O)NC2CCCCC2)cc(C)c1O ZINC000077425697 563969594 /nfs/dbraw/zinc/96/95/94/563969594.db2.gz QRCDNYYUXBLWCS-UHFFFAOYSA-N 1 2 341.455 3.712 50 0 EHAALO CCCn1cc[nH+]c1CNC(=O)c1cc(C)nc2ccc(CC)cc21 ZINC000077538719 563970295 /nfs/dbraw/zinc/97/02/95/563970295.db2.gz OSVYMKMDFLRXBP-UHFFFAOYSA-N 1 2 336.439 3.642 50 0 EHAALO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000287065854 563971135 /nfs/dbraw/zinc/97/11/35/563971135.db2.gz NVGIFRKBGLAAMA-JTQLQIEISA-N 1 2 347.875 3.751 50 0 EHAALO CCc1[nH+]c(C)ccc1OCC(=O)N(C)[C@H](C)c1nc(C)sc1C ZINC000082120333 563972451 /nfs/dbraw/zinc/97/24/51/563972451.db2.gz UTPGYPWJCNDFQQ-GFCCVEGCSA-N 1 2 347.484 3.624 50 0 EHAALO CCN(CC)c1cc(CNC(=O)Nc2ccccc2Cl)cc[nH+]1 ZINC000033280238 563972926 /nfs/dbraw/zinc/97/29/26/563972926.db2.gz JXIAEFQCMDBAOO-UHFFFAOYSA-N 1 2 332.835 3.903 50 0 EHAALO CCOc1ccc(NC(=O)NCc2cc[nH+]c(N(CC)CC)c2)cc1 ZINC000033280255 563972953 /nfs/dbraw/zinc/97/29/53/563972953.db2.gz UHFZXBZSLGQUOM-UHFFFAOYSA-N 1 2 342.443 3.648 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000091289154 563975182 /nfs/dbraw/zinc/97/51/82/563975182.db2.gz ROGNULLKIKEHNW-HNNXBMFYSA-N 1 2 331.847 3.505 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000091289152 563975201 /nfs/dbraw/zinc/97/52/01/563975201.db2.gz ROGNULLKIKEHNW-OAHLLOKOSA-N 1 2 331.847 3.505 50 0 EHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000095513111 563977287 /nfs/dbraw/zinc/97/72/87/563977287.db2.gz XSZMEOJNSRPCJW-UHFFFAOYSA-N 1 2 343.446 3.942 50 0 EHAALO O=C1C[C@@H](Cc2ccccc2)CN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000095527862 563977492 /nfs/dbraw/zinc/97/74/92/563977492.db2.gz ADCKKDNBSUAWLR-HXUWFJFHSA-N 1 2 345.446 3.523 50 0 EHAALO CCO[C@@H](C)c1ccc(-c2ccc(C[NH+]3CCN(C)CC3)cn2)cc1 ZINC000097099461 563981296 /nfs/dbraw/zinc/98/12/96/563981296.db2.gz HXHKPRVARAUILM-KRWDZBQOSA-N 1 2 339.483 3.594 50 0 EHAALO Cc1csc([C@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)CCO2)n1 ZINC000065473723 563998194 /nfs/dbraw/zinc/99/81/94/563998194.db2.gz DCAIBPQZDJLXSC-QGZVFWFLSA-N 1 2 341.436 3.680 50 0 EHAALO Cc1csc([C@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)CCO2)n1 ZINC000065473723 563998195 /nfs/dbraw/zinc/99/81/95/563998195.db2.gz DCAIBPQZDJLXSC-QGZVFWFLSA-N 1 2 341.436 3.680 50 0 EHAALO Cc1ccc2[nH]c(N3CCC(C(=O)NC4CCCCC4)CC3)[nH+]c2c1 ZINC000006382673 564013673 /nfs/dbraw/zinc/01/36/73/564013673.db2.gz RSRGQGVQCFKYPP-UHFFFAOYSA-N 1 2 340.471 3.537 50 0 EHAALO Cc1ccc2[nH+]c(N3CCC(C(=O)NC4CCCCC4)CC3)[nH]c2c1 ZINC000006382673 564013674 /nfs/dbraw/zinc/01/36/74/564013674.db2.gz RSRGQGVQCFKYPP-UHFFFAOYSA-N 1 2 340.471 3.537 50 0 EHAALO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[C@H]2c2ccsc2)on1 ZINC000106570041 564026458 /nfs/dbraw/zinc/02/64/58/564026458.db2.gz RUJXDPGOGMYVNL-JKSUJKDBSA-N 1 2 345.468 3.545 50 0 EHAALO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N2CCC[C@H]2c2ccsc2)on1 ZINC000106570041 564026459 /nfs/dbraw/zinc/02/64/59/564026459.db2.gz RUJXDPGOGMYVNL-JKSUJKDBSA-N 1 2 345.468 3.545 50 0 EHAALO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000198221545 564031721 /nfs/dbraw/zinc/03/17/21/564031721.db2.gz IDWYTIBTNWQSJY-NRFANRHFSA-N 1 2 345.402 3.844 50 0 EHAALO Cn1ncc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1-c1ccccc1 ZINC000341889289 564033578 /nfs/dbraw/zinc/03/35/78/564033578.db2.gz NEBQXNBGVDEZAZ-UHFFFAOYSA-N 1 2 343.390 3.525 50 0 EHAALO c1c(CSc2nnc(-c3cccnc3)n2C2CC2)[nH+]c2ccccn12 ZINC000012548168 564058968 /nfs/dbraw/zinc/05/89/68/564058968.db2.gz NZFKKNKULLLYGJ-UHFFFAOYSA-N 1 2 348.435 3.615 50 0 EHAALO C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000083992634 564065644 /nfs/dbraw/zinc/06/56/44/564065644.db2.gz NGRZBWFZWUONSB-LBPRGKRZSA-N 1 2 334.828 3.664 50 0 EHAALO CCS[C@@H](C)c1noc(C[N@H+](CC)Cc2ccc3c(c2)OCO3)n1 ZINC000084777506 564070158 /nfs/dbraw/zinc/07/01/58/564070158.db2.gz GBAZOSAOIHAHCY-LBPRGKRZSA-N 1 2 349.456 3.635 50 0 EHAALO CCS[C@@H](C)c1noc(C[N@@H+](CC)Cc2ccc3c(c2)OCO3)n1 ZINC000084777506 564070159 /nfs/dbraw/zinc/07/01/59/564070159.db2.gz GBAZOSAOIHAHCY-LBPRGKRZSA-N 1 2 349.456 3.635 50 0 EHAALO Cc1cccc2c(=O)[nH]c(C[N@@H+]3CCC[C@H]3c3cccs3)nc12 ZINC000012906325 564077879 /nfs/dbraw/zinc/07/78/79/564077879.db2.gz FHLNNJUXAIIPEI-AWEZNQCLSA-N 1 2 325.437 3.630 50 0 EHAALO Cc1cccc2c(=O)[nH]c(C[N@H+]3CCC[C@H]3c3cccs3)nc12 ZINC000012906325 564077880 /nfs/dbraw/zinc/07/78/80/564077880.db2.gz FHLNNJUXAIIPEI-AWEZNQCLSA-N 1 2 325.437 3.630 50 0 EHAALO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000012915114 564078046 /nfs/dbraw/zinc/07/80/46/564078046.db2.gz WJIKDAXYDGORCT-MRXNPFEDSA-N 1 2 326.375 3.551 50 0 EHAALO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000012915114 564078047 /nfs/dbraw/zinc/07/80/47/564078047.db2.gz WJIKDAXYDGORCT-MRXNPFEDSA-N 1 2 326.375 3.551 50 0 EHAALO O=C(Nc1cccc(-n2cccc2)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000088379911 564079073 /nfs/dbraw/zinc/07/90/73/564079073.db2.gz XXASVIXSYUNAHS-KRWDZBQOSA-N 1 2 335.411 3.960 50 0 EHAALO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000121927067 564084838 /nfs/dbraw/zinc/08/48/38/564084838.db2.gz KXUCCXFQWJDVFX-MRXNPFEDSA-N 1 2 339.395 3.530 50 0 EHAALO CC[C@H](c1cccnc1)N(C)C(=O)c1cccc(-c2[nH+]ccn2C)c1 ZINC000426397999 564093615 /nfs/dbraw/zinc/09/36/15/564093615.db2.gz CMBBXXYFIGKJLG-GOSISDBHSA-N 1 2 334.423 3.705 50 0 EHAALO CC(C)CCNc1[nH+]cnc2c1cnn2Cc1ccccc1Cl ZINC000006759963 564097297 /nfs/dbraw/zinc/09/72/97/564097297.db2.gz WGDCTWQHRPYYKR-UHFFFAOYSA-N 1 2 329.835 3.986 50 0 EHAALO CCN(CC)c1cc(CCC(=O)Nc2ccc(OC)cc2)cc[nH+]1 ZINC000065269922 564103804 /nfs/dbraw/zinc/10/38/04/564103804.db2.gz IEJLKRVKVXYVDX-UHFFFAOYSA-N 1 2 327.428 3.508 50 0 EHAALO CCOc1ccc(NC(=O)CCc2cc[nH+]c(N(CC)CC)c2)cc1 ZINC000065269994 564103825 /nfs/dbraw/zinc/10/38/25/564103825.db2.gz VOYYFQIHZUFXQW-UHFFFAOYSA-N 1 2 341.455 3.898 50 0 EHAALO CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(-n2cc[nH+]c2)cc1 ZINC000007128575 564105224 /nfs/dbraw/zinc/10/52/24/564105224.db2.gz UKUCUUZLCPLQDY-LJQANCHMSA-N 1 2 332.407 3.849 50 0 EHAALO C[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000065504429 564106659 /nfs/dbraw/zinc/10/66/59/564106659.db2.gz KQXPCPRPBAJJEM-CABCVRRESA-N 1 2 341.480 3.505 50 0 EHAALO COc1c2c(cc3c1[C@@H](Nc1cccc(Cl)c1)[N@H+](C)CC3)OCO2 ZINC000002128257 564118547 /nfs/dbraw/zinc/11/85/47/564118547.db2.gz BBMBUPXJBABROB-SFHVURJKSA-N 1 2 346.814 3.676 50 0 biogenic EHAALO COc1c2c(cc3c1[C@@H](Nc1cccc(Cl)c1)[N@@H+](C)CC3)OCO2 ZINC000002128257 564118548 /nfs/dbraw/zinc/11/85/48/564118548.db2.gz BBMBUPXJBABROB-SFHVURJKSA-N 1 2 346.814 3.676 50 0 biogenic EHAALO C[N@H+](CC(=O)NC1CCCCC1)Cc1ccc(Cl)cc1Cl ZINC000013071411 564135980 /nfs/dbraw/zinc/13/59/80/564135980.db2.gz BEKDXXDDWUBPES-UHFFFAOYSA-N 1 2 329.271 3.874 50 0 EHAALO O=C(CCc1ccccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000078925849 564137394 /nfs/dbraw/zinc/13/73/94/564137394.db2.gz UDRGHHXKVIBFFE-UHFFFAOYSA-N 1 2 348.899 3.679 50 0 EHAALO C[C@@H](CC[C@@H]1CCCO1)NC(=O)c1ccc(Oc2cc[nH+]cc2)cc1 ZINC000079310121 564138075 /nfs/dbraw/zinc/13/80/75/564138075.db2.gz AEJYSJOMHHMNSX-RDJZCZTQSA-N 1 2 340.423 3.951 50 0 EHAALO CCc1nc2cc(NC(=O)NCc3[nH+]ccn3CC(C)C)ccc2o1 ZINC000096434972 564148013 /nfs/dbraw/zinc/14/80/13/564148013.db2.gz FDWOHOTTZYDMDU-UHFFFAOYSA-N 1 2 341.415 3.564 50 0 EHAALO COC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccc(C)o1 ZINC000096478910 564148514 /nfs/dbraw/zinc/14/85/14/564148514.db2.gz JGOHZPFNULTCQW-GUYCJALGSA-N 1 2 346.427 3.593 50 0 EHAALO COCC[C@H]([NH2+]Cc1nnc(C)o1)c1ccc(Cl)c(Cl)c1 ZINC000284719760 564149171 /nfs/dbraw/zinc/14/91/71/564149171.db2.gz JNELSMUHBFFTOW-ZDUSSCGKSA-N 1 2 330.215 3.552 50 0 EHAALO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]1c1cccc2ccccc21 ZINC000057148554 564153335 /nfs/dbraw/zinc/15/33/35/564153335.db2.gz VHOBJIDOKYRAHQ-GOSISDBHSA-N 1 2 329.407 3.858 50 0 EHAALO Cc1cccn2cc(CNC(=O)c3ccccc3C(F)(F)F)[nH+]c12 ZINC000002960802 564153819 /nfs/dbraw/zinc/15/38/19/564153819.db2.gz BYJQSSOMIWEHMN-UHFFFAOYSA-N 1 2 333.313 3.592 50 0 EHAALO C[C@@](CO)([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000069696689 564171494 /nfs/dbraw/zinc/17/14/94/564171494.db2.gz XCXLDQIXLUSZQQ-IBGZPJMESA-N 1 2 342.826 3.992 50 0 EHAALO CC(C)Cc1nnc([C@H](C)[NH+]2CCC([C@H](O)c3ccccc3)CC2)o1 ZINC000069968017 564172910 /nfs/dbraw/zinc/17/29/10/564172910.db2.gz UKFIPLBPUQSCOT-HNAYVOBHSA-N 1 2 343.471 3.775 50 0 EHAALO COc1cccc(/C=C\C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000006908467 1033519636 /nfs/dbraw/zinc/51/96/36/1033519636.db2.gz NPDWRDNGNKODGD-BCTQVIJGSA-N 1 2 347.418 3.772 50 0 EHAALO O=C(NC1CC1)[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000057547508 1129907025 /nfs/dbraw/zinc/90/70/25/1129907025.db2.gz VGBRSHXZISNTSW-KRWDZBQOSA-N 1 2 332.806 3.589 50 0 EHAALO Cc1c[nH+]c(C2CN(C(=O)c3ccsc3)C2)n1Cc1ccccc1 ZINC000575552845 1131573375 /nfs/dbraw/zinc/57/33/75/1131573375.db2.gz IMVNWHFIIASUJJ-UHFFFAOYSA-N 1 2 337.448 3.541 50 0 EHAALO Cc1nc(C[NH2+]Cc2cnc(SCc3ccccc3)nc2)cs1 ZINC000952869810 1137483009 /nfs/dbraw/zinc/48/30/09/1137483009.db2.gz POSOBHWKNDIYOO-UHFFFAOYSA-N 1 2 342.493 3.824 50 0 EHAALO Clc1ccc(-n2ncc3c2nc[nH+]c3N2CCCCCC2)cc1 ZINC000004426857 210191879 /nfs/dbraw/zinc/19/18/79/210191879.db2.gz XJIJEUCZMMGFGF-UHFFFAOYSA-N 1 2 327.819 3.849 50 0 EHAALO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccc(F)cc1F ZINC000003537953 210050007 /nfs/dbraw/zinc/05/00/07/210050007.db2.gz XHPNGSULBBOVAF-UHFFFAOYSA-N 1 2 344.405 3.858 50 0 EHAALO CC[C@H](c1nn2c(C[NH+](CC)CC)nnc2s1)c1ccccc1 ZINC000067239781 215126394 /nfs/dbraw/zinc/12/63/94/215126394.db2.gz USZQIAZRTXTUMU-AWEZNQCLSA-N 1 2 329.473 3.570 50 0 EHAALO c1nn2cc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)cnc2c1-c1ccccc1 ZINC000067714684 215192857 /nfs/dbraw/zinc/19/28/57/215192857.db2.gz OPUFAGGIUBBUMR-WOJBJXKFSA-N 1 2 348.450 3.540 50 0 EHAALO c1nn2cc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)cnc2c1-c1ccccc1 ZINC000067714684 215192860 /nfs/dbraw/zinc/19/28/60/215192860.db2.gz OPUFAGGIUBBUMR-WOJBJXKFSA-N 1 2 348.450 3.540 50 0 EHAALO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(SC)s2)cc1 ZINC000067715865 215194023 /nfs/dbraw/zinc/19/40/23/215194023.db2.gz ICARAUJZAABQPQ-AWEZNQCLSA-N 1 2 335.498 3.996 50 0 EHAALO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(SC)s2)cc1 ZINC000067715865 215194027 /nfs/dbraw/zinc/19/40/27/215194027.db2.gz ICARAUJZAABQPQ-AWEZNQCLSA-N 1 2 335.498 3.996 50 0 EHAALO Cc1cc(C)n(-c2cccc(-c3nccn3CCCn3cc[nH+]c3)c2)n1 ZINC000067727251 215197633 /nfs/dbraw/zinc/19/76/33/215197633.db2.gz XENVQROBJFVXDK-UHFFFAOYSA-N 1 2 346.438 3.639 50 0 EHAALO CCc1cc(C[NH+]2CCC(c3n[nH]cc3Cc3ccccc3)CC2)n[nH]1 ZINC000067727258 215197693 /nfs/dbraw/zinc/19/76/93/215197693.db2.gz NEFWSDSZINEAFO-UHFFFAOYSA-N 1 2 349.482 3.666 50 0 EHAALO c1cn(CC[NH+]2CCOCC2)c(-c2ccc(-c3ccccc3)s2)n1 ZINC000067769494 215208483 /nfs/dbraw/zinc/20/84/83/215208483.db2.gz BSTIAXDMYGLSIG-UHFFFAOYSA-N 1 2 339.464 3.611 50 0 EHAALO CC(=O)Nc1c[nH+]c(C)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124348 213421105 /nfs/dbraw/zinc/42/11/05/213421105.db2.gz JSSNWTSKWKGCHD-UHFFFAOYSA-N 1 2 332.816 3.916 50 0 EHAALO C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1Cl ZINC000039990583 213248690 /nfs/dbraw/zinc/24/86/90/213248690.db2.gz KHIWKRRMYRPQBC-UHFFFAOYSA-N 1 2 348.233 3.633 50 0 EHAALO C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1Cl ZINC000039990583 213248693 /nfs/dbraw/zinc/24/86/93/213248693.db2.gz KHIWKRRMYRPQBC-UHFFFAOYSA-N 1 2 348.233 3.633 50 0 EHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(C(C)C)no2)cc1OC ZINC000036396177 213097351 /nfs/dbraw/zinc/09/73/51/213097351.db2.gz QRSFOEPWWUITEQ-AWEZNQCLSA-N 1 2 331.416 3.547 50 0 EHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(C(C)C)no2)cc1OC ZINC000036396177 213097354 /nfs/dbraw/zinc/09/73/54/213097354.db2.gz QRSFOEPWWUITEQ-AWEZNQCLSA-N 1 2 331.416 3.547 50 0 EHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)cc1OC ZINC000036395389 213096951 /nfs/dbraw/zinc/09/69/51/213096951.db2.gz DDZAZZLRWCJPIQ-AWEZNQCLSA-N 1 2 345.443 3.721 50 0 EHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)cc1OC ZINC000036395389 213096955 /nfs/dbraw/zinc/09/69/55/213096955.db2.gz DDZAZZLRWCJPIQ-AWEZNQCLSA-N 1 2 345.443 3.721 50 0 EHAALO Cc1cc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCc3ccccc3C2)no1 ZINC000035267959 213017359 /nfs/dbraw/zinc/01/73/59/213017359.db2.gz ABZDRVPYWPSBOH-FQEVSTJZSA-N 1 2 347.418 3.721 50 0 EHAALO Cc1cc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCc3ccccc3C2)no1 ZINC000035267959 213017362 /nfs/dbraw/zinc/01/73/62/213017362.db2.gz ABZDRVPYWPSBOH-FQEVSTJZSA-N 1 2 347.418 3.721 50 0 EHAALO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](OCc2ccccn2)C1 ZINC000072125632 216016338 /nfs/dbraw/zinc/01/63/38/216016338.db2.gz RVAGLZPYLLYUNV-OAHLLOKOSA-N 1 2 348.393 3.550 50 0 EHAALO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](OCc2ccccn2)C1 ZINC000072125632 216016341 /nfs/dbraw/zinc/01/63/41/216016341.db2.gz RVAGLZPYLLYUNV-OAHLLOKOSA-N 1 2 348.393 3.550 50 0 EHAALO CCCCc1[nH]c(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)c[nH+]1 ZINC000072159238 216049491 /nfs/dbraw/zinc/04/94/91/216049491.db2.gz RDFJDURYTFJPGU-UHFFFAOYSA-N 1 2 341.434 3.709 50 0 EHAALO CCCCc1[nH]cc(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)[nH+]1 ZINC000072159238 216049494 /nfs/dbraw/zinc/04/94/94/216049494.db2.gz RDFJDURYTFJPGU-UHFFFAOYSA-N 1 2 341.434 3.709 50 0 EHAALO CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2[nH+]cc3ccccn32)cc1 ZINC000026371056 212515509 /nfs/dbraw/zinc/51/55/09/212515509.db2.gz ITJMLIYWUQBSMB-CYBMUJFWSA-N 1 2 339.420 3.656 50 0 EHAALO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(Cl)cc1Cl ZINC000024808355 212441501 /nfs/dbraw/zinc/44/15/01/212441501.db2.gz QFIYKKFKEOOQMZ-LLVKDONJSA-N 1 2 348.237 3.820 50 0 EHAALO Cc1nc(C)c(C[N@@H+]2CCO[C@@H](CCCc3ccccc3)C2)nc1C ZINC000023337576 212368527 /nfs/dbraw/zinc/36/85/27/212368527.db2.gz XKTQWXBIQLKUBB-FQEVSTJZSA-N 1 2 339.483 3.626 50 0 EHAALO Cc1nc(C)c(C[N@H+]2CCO[C@@H](CCCc3ccccc3)C2)nc1C ZINC000023337576 212368529 /nfs/dbraw/zinc/36/85/29/212368529.db2.gz XKTQWXBIQLKUBB-FQEVSTJZSA-N 1 2 339.483 3.626 50 0 EHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[NH+]1CCCCC1)S2 ZINC000022853025 212328687 /nfs/dbraw/zinc/32/86/87/212328687.db2.gz RVLVFVCBMOZGCB-OAHLLOKOSA-N 1 2 342.468 3.634 50 0 EHAALO Cc1cccc(C)c1NC(=S)N1CC[NH+](Cc2cccs2)CC1 ZINC000022272003 212286414 /nfs/dbraw/zinc/28/64/14/212286414.db2.gz SYERWMDMHVGBNP-UHFFFAOYSA-N 1 2 345.537 3.880 50 0 EHAALO CC(C)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1[nH]cc[nH+]1 ZINC000225837887 242056029 /nfs/dbraw/zinc/05/60/29/242056029.db2.gz UJCSVAABCXSAMQ-GFCCVEGCSA-N 1 2 326.322 3.947 50 0 EHAALO CC(C)(C)OC(=O)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000021300930 212219002 /nfs/dbraw/zinc/21/90/02/212219002.db2.gz BIVZFVCCXSAZAR-UHFFFAOYSA-N 1 2 338.451 3.985 50 0 EHAALO Cc1ccnn1CC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000244708249 243063568 /nfs/dbraw/zinc/06/35/68/243063568.db2.gz KQBOYAUEGYUTJZ-INIZCTEOSA-N 1 2 340.254 3.572 50 0 EHAALO Cc1ccnn1CC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000244708249 243063574 /nfs/dbraw/zinc/06/35/74/243063574.db2.gz KQBOYAUEGYUTJZ-INIZCTEOSA-N 1 2 340.254 3.572 50 0 EHAALO O=C(CC[NH+]1CC(Oc2ccc(F)cc2)C1)Nc1ccccc1Cl ZINC000244742072 243073776 /nfs/dbraw/zinc/07/37/76/243073776.db2.gz OBJZWGZRFLIYJP-UHFFFAOYSA-N 1 2 348.805 3.571 50 0 EHAALO Cc1[nH]c([C@@H]2CC(=O)N(C3CCCC3)C2)[nH+]c1-c1ccc(F)cc1F ZINC000020537554 212144643 /nfs/dbraw/zinc/14/46/43/212144643.db2.gz FBBLJVZXNVGMMW-GFCCVEGCSA-N 1 2 345.393 3.922 50 0 EHAALO O=C(Nc1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020523296 212143945 /nfs/dbraw/zinc/14/39/45/212143945.db2.gz MAFJHZOPBVAUEU-UHFFFAOYSA-N 1 2 329.831 3.690 50 0 EHAALO CSc1nc2sc3c(c2c(NCc2ccco2)n1)CC[N@@H+](C)C3 ZINC000020358211 212122481 /nfs/dbraw/zinc/12/24/81/212122481.db2.gz KNGXNFUOTHPJKK-UHFFFAOYSA-N 1 2 346.481 3.606 50 0 EHAALO CSc1nc2sc3c(c2c(NCc2ccco2)n1)CC[N@H+](C)C3 ZINC000020358211 212122483 /nfs/dbraw/zinc/12/24/83/212122483.db2.gz KNGXNFUOTHPJKK-UHFFFAOYSA-N 1 2 346.481 3.606 50 0 EHAALO CC(C)c1ccccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019897180 212080950 /nfs/dbraw/zinc/08/09/50/212080950.db2.gz RQPKUMMKPWLEEP-UHFFFAOYSA-N 1 2 338.451 3.895 50 0 EHAALO CSc1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000019840659 212074412 /nfs/dbraw/zinc/07/44/12/212074412.db2.gz HWHOBIHVDFJUMW-UHFFFAOYSA-N 1 2 344.455 3.506 50 0 EHAALO O=C(c1ccccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019536641 212039103 /nfs/dbraw/zinc/03/91/03/212039103.db2.gz QVRQDHHQLTURNV-RMKNXTFCSA-N 1 2 340.854 3.811 50 0 EHAALO CCC12CN3CC(CC)(C[NH+](C1)C3c1ccc(C(C)C)cc1)C2=O ZINC000019323273 212015596 /nfs/dbraw/zinc/01/55/96/212015596.db2.gz RTPZYHQOLXMFMU-UHFFFAOYSA-N 1 2 326.484 3.815 50 0 biogenic EHAALO Cn1cc[nH+]c1CNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000078402519 217048733 /nfs/dbraw/zinc/04/87/33/217048733.db2.gz QELONYLQCXLFDP-UHFFFAOYSA-N 1 2 340.358 3.673 50 0 EHAALO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1nc(-c2ccc(F)cc2)no1 ZINC000078553450 217075204 /nfs/dbraw/zinc/07/52/04/217075204.db2.gz KXNREWHJOZAJNW-GFCCVEGCSA-N 1 2 343.406 3.678 50 0 EHAALO O=C(NC1CC1)[C@@H](Sc1[nH+]cc2ccccn21)c1ccc(F)cc1 ZINC000010270004 211158100 /nfs/dbraw/zinc/15/81/00/211158100.db2.gz PAJAVRSRJXGRJP-INIZCTEOSA-N 1 2 341.411 3.585 50 0 EHAALO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cccnc2C)CC1 ZINC000093022260 218187555 /nfs/dbraw/zinc/18/75/55/218187555.db2.gz PYEVAOFMUUURPI-UHFFFAOYSA-N 1 2 348.450 3.779 50 0 EHAALO Cc1cccc2[nH+]c([C@H]3CCCN(c4nnc(C5CCC5)o4)C3)[nH]c21 ZINC000095353793 218288749 /nfs/dbraw/zinc/28/87/49/218288749.db2.gz ZVTWZDCPXSJOKH-AWEZNQCLSA-N 1 2 337.427 3.906 50 0 EHAALO Cc1cccc2[nH]c([C@H]3CCCN(c4nnc(C5CCC5)o4)C3)[nH+]c21 ZINC000095353793 218288751 /nfs/dbraw/zinc/28/87/51/218288751.db2.gz ZVTWZDCPXSJOKH-AWEZNQCLSA-N 1 2 337.427 3.906 50 0 EHAALO O[C@@H](Cn1cc[nH+]c1-c1ccncc1)c1cccc(C(F)(F)F)c1 ZINC000095404043 218339237 /nfs/dbraw/zinc/33/92/37/218339237.db2.gz FTGUZHRTSFTBBX-HNNXBMFYSA-N 1 2 333.313 3.698 50 0 EHAALO C[C@@H]([NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1nnnn1C ZINC000189784352 257952721 /nfs/dbraw/zinc/95/27/21/257952721.db2.gz OXRLJFKKIQXDFX-CHWSQXEVSA-N 1 2 341.390 3.553 50 0 EHAALO Cn1c[nH+]cc1-c1ccc(C(=O)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000426621593 257961103 /nfs/dbraw/zinc/96/11/03/257961103.db2.gz IPXCBWLMURDNGZ-LJQANCHMSA-N 1 2 346.434 3.850 50 0 EHAALO COc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1OC ZINC000055543909 132196099 /nfs/dbraw/zinc/19/60/99/132196099.db2.gz JJWUQWDXGHKVRM-UHFFFAOYSA-N 1 2 346.858 3.679 50 0 EHAALO S=C(NC1CCCCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000000315557 563282743 /nfs/dbraw/zinc/28/27/43/563282743.db2.gz KYBVUVYEFVLZDT-JXMROGBWSA-N 1 2 343.540 3.525 50 0 EHAALO C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)n1cc[nH+]c1 ZINC000071921779 563627151 /nfs/dbraw/zinc/62/71/51/563627151.db2.gz LVTVTMMREMPKGY-SKDRFNHKSA-N 1 2 331.725 3.517 50 0 EHAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000032860002 563764983 /nfs/dbraw/zinc/76/49/83/563764983.db2.gz DHTSTZPUSCBWSX-UHFFFAOYSA-N 1 2 331.828 3.576 50 0 EHAALO C[C@@H](NC(=O)C[N@H+](Cc1ccco1)Cc1cccs1)c1ccco1 ZINC000015299566 563781519 /nfs/dbraw/zinc/78/15/19/563781519.db2.gz YTSMEZNRUVVOFJ-CQSZACIVSA-N 1 2 344.436 3.814 50 0 EHAALO C[C@@H](NC(=O)C[N@@H+](Cc1ccco1)Cc1cccs1)c1ccco1 ZINC000015299566 563781525 /nfs/dbraw/zinc/78/15/25/563781525.db2.gz YTSMEZNRUVVOFJ-CQSZACIVSA-N 1 2 344.436 3.814 50 0 EHAALO CCc1c(C)scc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000016604045 563816675 /nfs/dbraw/zinc/81/66/75/563816675.db2.gz WTFYTBHKFXVMFH-UHFFFAOYSA-N 1 2 346.471 3.716 50 0 EHAALO c1ccc2c(c1)[nH+]c(NCc1ccc3c(c1)OCO3)nc2N1CCCC1 ZINC000041148409 563924363 /nfs/dbraw/zinc/92/43/63/563924363.db2.gz PETOUWAGCPOEDC-UHFFFAOYSA-N 1 2 348.406 3.571 50 0 EHAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1C(F)(F)F ZINC000043210855 563925424 /nfs/dbraw/zinc/92/54/24/563925424.db2.gz BQXBGXCMLQPMGP-UHFFFAOYSA-N 1 2 349.352 3.769 50 0 EHAALO CCCOc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)c2ccccc12 ZINC000048044477 563929920 /nfs/dbraw/zinc/92/99/20/563929920.db2.gz XAPWCLOHQIHFOX-UHFFFAOYSA-N 1 2 342.420 3.824 50 0 EHAALO C[N@H+](CCc1cccc2ccccc21)Cn1ncc2ccccc2c1=O ZINC000058431039 563946227 /nfs/dbraw/zinc/94/62/27/563946227.db2.gz NNOAACPFQUKDGV-UHFFFAOYSA-N 1 2 343.430 3.682 50 0 EHAALO C[N@@H+](CCc1cccc2ccccc21)Cn1ncc2ccccc2c1=O ZINC000058431039 563946228 /nfs/dbraw/zinc/94/62/28/563946228.db2.gz NNOAACPFQUKDGV-UHFFFAOYSA-N 1 2 343.430 3.682 50 0 EHAALO O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000096426795 563952183 /nfs/dbraw/zinc/95/21/83/563952183.db2.gz VNJLMQSEMWAJBP-INIZCTEOSA-N 1 2 325.799 3.504 50 0 EHAALO C[C@H](NC(=O)CCC(=O)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432040 563952659 /nfs/dbraw/zinc/95/26/59/563952659.db2.gz LMPAFFGARIFQMO-INIZCTEOSA-N 1 2 347.418 3.713 50 0 EHAALO CC(C)c1cnc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)o1 ZINC000096491276 563955588 /nfs/dbraw/zinc/95/55/88/563955588.db2.gz IABHDNSRSCJMNQ-CYBMUJFWSA-N 1 2 329.400 3.605 50 0 EHAALO O=C1CCCN1CCn1c[nH+]c(-c2ccccc2)c1Cc1ccccc1 ZINC000063855834 563956283 /nfs/dbraw/zinc/95/62/83/563956283.db2.gz HZWDODUQAMBZJO-UHFFFAOYSA-N 1 2 345.446 3.763 50 0 EHAALO CC[C@@H](c1ccncc1)n1cc[nH+]c1-c1cc2c(c(OC)c1)OCO2 ZINC000071738769 563964919 /nfs/dbraw/zinc/96/49/19/563964919.db2.gz PNIBAEHCNCMCFA-HNNXBMFYSA-N 1 2 337.379 3.682 50 0 EHAALO Cc1cccn2cc(Cn3ccnc3-c3ccc(-c4cc[nH]n4)o3)[nH+]c12 ZINC000071760727 563965387 /nfs/dbraw/zinc/96/53/87/563965387.db2.gz DRLCCJAONQETFS-UHFFFAOYSA-N 1 2 344.378 3.538 50 0 EHAALO CC[C@H](NC(=O)c1ccc2[nH+]c(C)cn2c1)c1nc(C)c(C)s1 ZINC000082157240 563972785 /nfs/dbraw/zinc/97/27/85/563972785.db2.gz DDTFARHXCVQWKO-AWEZNQCLSA-N 1 2 328.441 3.597 50 0 EHAALO CSCc1ccc(N2CCC([C@H](O)Cc3ccccc3)CC2)[nH+]c1 ZINC000082157338 563972797 /nfs/dbraw/zinc/97/27/97/563972797.db2.gz OUXGEPCBVSCIBC-LJQANCHMSA-N 1 2 342.508 3.765 50 0 EHAALO CCN(CC)c1cc(CNC(=O)Nc2ccc(Cl)cc2)cc[nH+]1 ZINC000033280241 563972918 /nfs/dbraw/zinc/97/29/18/563972918.db2.gz UMFGWVYKXDZVBM-UHFFFAOYSA-N 1 2 332.835 3.903 50 0 EHAALO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1cc[nH+]cc1C ZINC000097083074 563973168 /nfs/dbraw/zinc/97/31/68/563973168.db2.gz VIGUQKFBKWJSMR-MRXNPFEDSA-N 1 2 327.432 3.879 50 0 EHAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1Nc1ccc(O)cc1 ZINC000000071591 563974407 /nfs/dbraw/zinc/97/44/07/563974407.db2.gz CANHFJFEZITOIN-UHFFFAOYSA-N 1 2 338.363 3.869 50 0 EHAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1NCc1ccco1 ZINC000000071606 563974411 /nfs/dbraw/zinc/97/44/11/563974411.db2.gz HBMQCLSMCMROJE-UHFFFAOYSA-N 1 2 326.352 3.625 50 0 EHAALO Clc1c2ccccc2sc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000023844860 563990070 /nfs/dbraw/zinc/99/00/70/563990070.db2.gz RGAOVYYEEPYUGB-UHFFFAOYSA-N 1 2 344.871 3.667 50 0 EHAALO CC(C)(C)OC(=O)NCCC[C@@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000289697743 563994681 /nfs/dbraw/zinc/99/46/81/563994681.db2.gz BQCZSCGLGBWIHH-QGZVFWFLSA-N 1 2 345.443 3.810 50 0 EHAALO Cc1nc(CC(C)C)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000135473758 563997440 /nfs/dbraw/zinc/99/74/40/563997440.db2.gz NFMSNWXILNGULV-UHFFFAOYSA-N 1 2 347.488 3.716 50 0 EHAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N(C)Cc2ccccc2)c1 ZINC000000426425 563999029 /nfs/dbraw/zinc/99/90/29/563999029.db2.gz LXOVXPMGSPUYNL-UHFFFAOYSA-N 1 2 329.407 3.760 50 0 EHAALO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1C[C@@H]2CCC[C@@H]2C1 ZINC000270376641 563999111 /nfs/dbraw/zinc/99/91/11/563999111.db2.gz VBZFRPYGJVMKLG-IYBDPMFKSA-N 1 2 348.450 3.866 50 0 EHAALO COc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000044871181 564027241 /nfs/dbraw/zinc/02/72/41/564027241.db2.gz XLILCYNYBNOPEU-LLVKDONJSA-N 1 2 341.333 3.520 50 0 EHAALO COc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000044871181 564027242 /nfs/dbraw/zinc/02/72/42/564027242.db2.gz XLILCYNYBNOPEU-LLVKDONJSA-N 1 2 341.333 3.520 50 0 EHAALO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1c1cccs1 ZINC000045041831 564028091 /nfs/dbraw/zinc/02/80/91/564028091.db2.gz LQMBBJJDBBPVSH-KRWDZBQOSA-N 1 2 337.448 3.970 50 0 EHAALO COc1ccc(F)c(F)c1C[N@@H+](Cc1ccncc1)C[C@@H]1CCCO1 ZINC000215937050 564033683 /nfs/dbraw/zinc/03/36/83/564033683.db2.gz TUHRCIPSQVIGJV-HNNXBMFYSA-N 1 2 348.393 3.550 50 0 EHAALO COc1ccc(F)c(F)c1C[N@H+](Cc1ccncc1)C[C@@H]1CCCO1 ZINC000215937050 564033684 /nfs/dbraw/zinc/03/36/84/564033684.db2.gz TUHRCIPSQVIGJV-HNNXBMFYSA-N 1 2 348.393 3.550 50 0 EHAALO CC(C)Oc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000241277583 564051950 /nfs/dbraw/zinc/05/19/50/564051950.db2.gz LHGOEMUWEDHGLK-UHFFFAOYSA-N 1 2 346.406 3.748 50 0 EHAALO CC(C)Oc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000241277583 564051951 /nfs/dbraw/zinc/05/19/51/564051951.db2.gz LHGOEMUWEDHGLK-UHFFFAOYSA-N 1 2 346.406 3.748 50 0 EHAALO Cc1ccc(O[C@H](C)C(=O)N[C@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000012529371 564058241 /nfs/dbraw/zinc/05/82/41/564058241.db2.gz CMDBWKADAXLMMA-VQIMIIECSA-N 1 2 349.434 3.586 50 0 EHAALO Cn1cc[nH+]c1[C@@H](Nc1ncnc2sccc21)c1cccc(F)c1 ZINC000012559940 564059436 /nfs/dbraw/zinc/05/94/36/564059436.db2.gz JWPOIPHWLZPRCP-AWEZNQCLSA-N 1 2 339.399 3.765 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000012575511 564059996 /nfs/dbraw/zinc/05/99/96/564059996.db2.gz GFHMKKHVFYSJHX-INIZCTEOSA-N 1 2 343.789 3.732 50 0 EHAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000012620780 564060935 /nfs/dbraw/zinc/06/09/35/564060935.db2.gz UPSNPDIGMOVOSN-BRWVUGGUSA-N 1 2 338.451 3.790 50 0 EHAALO Fc1ccc(F)c(C[NH+]2CC(c3nc(-c4ccsc4)no3)C2)c1 ZINC000085467310 564073363 /nfs/dbraw/zinc/07/33/63/564073363.db2.gz YYVJDOMUIFUJJR-UHFFFAOYSA-N 1 2 333.363 3.676 50 0 EHAALO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1nc(C)c(C)s1 ZINC000088574479 564079574 /nfs/dbraw/zinc/07/95/74/564079574.db2.gz ZKFBFOHKPUGFGL-UHFFFAOYSA-N 1 2 347.484 3.619 50 0 EHAALO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1nc(C)c(C)s1 ZINC000088574479 564079575 /nfs/dbraw/zinc/07/95/75/564079575.db2.gz ZKFBFOHKPUGFGL-UHFFFAOYSA-N 1 2 347.484 3.619 50 0 EHAALO CC(=O)Nc1cccc(CNc2nc(-c3ccncc3)[nH+]c(C)c2C)c1 ZINC000075138222 564080593 /nfs/dbraw/zinc/08/05/93/564080593.db2.gz FBHSTVVTRCWJOZ-UHFFFAOYSA-N 1 2 347.422 3.726 50 0 EHAALO Cc1ccc(NC(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000575611200 564082627 /nfs/dbraw/zinc/08/26/27/564082627.db2.gz CDDFINPAGKYNBO-SFHVURJKSA-N 1 2 325.412 3.774 50 0 EHAALO CCCNC(=O)N(Cc1[nH+]ccn1Cc1ccccc1C)CC(C)C ZINC000006690021 564084634 /nfs/dbraw/zinc/08/46/34/564084634.db2.gz ZYXUGRTZERNDTG-UHFFFAOYSA-N 1 2 342.487 3.817 50 0 EHAALO Cc1oc(-c2ccccc2)nc1CSc1[nH+]cnc2c1cnn2C ZINC000012992571 564086045 /nfs/dbraw/zinc/08/60/45/564086045.db2.gz CVJXYLWFBPAMPD-UHFFFAOYSA-N 1 2 337.408 3.619 50 0 EHAALO OCC1CCN(c2ccc(NCc3sccc3Cl)[nH+]c2)CC1 ZINC000192751563 564093087 /nfs/dbraw/zinc/09/30/87/564093087.db2.gz HTTKJLWPVXWKHS-UHFFFAOYSA-N 1 2 337.876 3.617 50 0 EHAALO COc1ccc(-c2[nH+]c(C)cc(C)c2CNC(=O)c2ccco2)cc1 ZINC000065171138 564102184 /nfs/dbraw/zinc/10/21/84/564102184.db2.gz VOCNVKPEPBKDQS-UHFFFAOYSA-N 1 2 336.391 3.897 50 0 EHAALO O=C(Nc1cccc(F)c1)N1CCC(CCOc2cc[nH+]cc2)CC1 ZINC000065181132 564102408 /nfs/dbraw/zinc/10/24/08/564102408.db2.gz KQKNIDYLMNVAMV-UHFFFAOYSA-N 1 2 343.402 3.934 50 0 EHAALO O=C(Nc1ccccc1F)N1CCC(CCOc2cc[nH+]cc2)CC1 ZINC000065181107 564102411 /nfs/dbraw/zinc/10/24/11/564102411.db2.gz LHEXEDNCPHDYHH-UHFFFAOYSA-N 1 2 343.402 3.934 50 0 EHAALO O=C(N[C@H]1CCCOc2ccccc21)c1cccc(Cn2cc[nH+]c2)c1 ZINC000372551376 564105852 /nfs/dbraw/zinc/10/58/52/564105852.db2.gz TYTFBHRWSDZIRY-IBGZPJMESA-N 1 2 347.418 3.575 50 0 EHAALO CCOc1ccc(C[N@H+](C)Cc2nnc(-c3occc3C)o2)cc1 ZINC000065609104 564108253 /nfs/dbraw/zinc/10/82/53/564108253.db2.gz WMHBZOJOMCKEPN-UHFFFAOYSA-N 1 2 327.384 3.669 50 0 EHAALO CCOc1ccc(C[N@@H+](C)Cc2nnc(-c3occc3C)o2)cc1 ZINC000065609104 564108254 /nfs/dbraw/zinc/10/82/54/564108254.db2.gz WMHBZOJOMCKEPN-UHFFFAOYSA-N 1 2 327.384 3.669 50 0 EHAALO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1nccc2ccccc21 ZINC000170604710 564109491 /nfs/dbraw/zinc/10/94/91/564109491.db2.gz DMHVAMFGMCSHLX-AWEZNQCLSA-N 1 2 344.374 3.734 50 0 EHAALO CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC000193422240 564119533 /nfs/dbraw/zinc/11/95/33/564119533.db2.gz QRIQKCSCZYROGD-UHFFFAOYSA-N 1 2 340.254 3.787 50 0 EHAALO CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC000193422240 564119534 /nfs/dbraw/zinc/11/95/34/564119534.db2.gz QRIQKCSCZYROGD-UHFFFAOYSA-N 1 2 340.254 3.787 50 0 EHAALO Cc1ccc2[nH+]cc(CNc3ccc(Cl)c(C[S@@](C)=O)c3)n2c1 ZINC000195559067 564123836 /nfs/dbraw/zinc/12/38/36/564123836.db2.gz QMQWCOGGFXAXAJ-HSZRJFAPSA-N 1 2 347.871 3.787 50 0 EHAALO CSc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000253431500 564131807 /nfs/dbraw/zinc/13/18/07/564131807.db2.gz RDPGRBSANJTJEM-GDBMZVCRSA-N 1 2 344.484 3.540 50 0 EHAALO Cc1cccc2nc(C3CCN(c4nc[nH+]c(N)c4Cl)CC3)oc21 ZINC000225488756 564135190 /nfs/dbraw/zinc/13/51/90/564135190.db2.gz GJESTPCBQHAPMU-UHFFFAOYSA-N 1 2 343.818 3.546 50 0 EHAALO Cc1cccc2nc(C3CCN(c4[nH+]cnc(N)c4Cl)CC3)oc21 ZINC000225488756 564135191 /nfs/dbraw/zinc/13/51/91/564135191.db2.gz GJESTPCBQHAPMU-UHFFFAOYSA-N 1 2 343.818 3.546 50 0 EHAALO Cc1ccc([C@H]2C[N@H+](Cc3cnc(-c4ccccn4)s3)CCO2)o1 ZINC000093865176 564138091 /nfs/dbraw/zinc/13/80/91/564138091.db2.gz GPJOWQHVCNFODC-QGZVFWFLSA-N 1 2 341.436 3.680 50 0 EHAALO Cc1ccc([C@H]2C[N@@H+](Cc3cnc(-c4ccccn4)s3)CCO2)o1 ZINC000093865176 564138092 /nfs/dbraw/zinc/13/80/92/564138092.db2.gz GPJOWQHVCNFODC-QGZVFWFLSA-N 1 2 341.436 3.680 50 0 EHAALO CC(C)c1cnc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)o1 ZINC000095984695 564143901 /nfs/dbraw/zinc/14/39/01/564143901.db2.gz AYHAHADHRFXIMB-AWEZNQCLSA-N 1 2 327.428 3.776 50 0 EHAALO Cc1nc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)cs1 ZINC000096403967 564147188 /nfs/dbraw/zinc/14/71/88/564147188.db2.gz NUHBUYSCQLEDBG-UHFFFAOYSA-N 1 2 345.449 3.594 50 0 EHAALO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc[nH+]c2N(C)C)c1 ZINC000096998145 564149054 /nfs/dbraw/zinc/14/90/54/564149054.db2.gz PRIIEGSHGPCCDO-UHFFFAOYSA-N 1 2 327.428 3.597 50 0 EHAALO Cc1csc(CNc2ccc(C[NH+]3CCOCC3)c(Cl)c2)n1 ZINC000097106925 564149412 /nfs/dbraw/zinc/14/94/12/564149412.db2.gz FBKSXJVZCXSUQE-UHFFFAOYSA-N 1 2 337.876 3.549 50 0 EHAALO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000008120132 564162831 /nfs/dbraw/zinc/16/28/31/564162831.db2.gz CFDAMBLFISBWKY-UHFFFAOYSA-N 1 2 330.815 3.613 50 0 EHAALO CC(=O)c1ccccc1NC(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000008120132 564162832 /nfs/dbraw/zinc/16/28/32/564162832.db2.gz CFDAMBLFISBWKY-UHFFFAOYSA-N 1 2 330.815 3.613 50 0 EHAALO C[N@@H+]1CCCCC[C@H]1c1nc(-c2ccco2)nn1CC(F)(F)F ZINC000670469515 564163308 /nfs/dbraw/zinc/16/33/08/564163308.db2.gz STDPUAODFJPPIT-NSHDSACASA-N 1 2 328.338 3.647 50 0 EHAALO C[N@H+]1CCCCC[C@H]1c1nc(-c2ccco2)nn1CC(F)(F)F ZINC000670469515 564163309 /nfs/dbraw/zinc/16/33/09/564163309.db2.gz STDPUAODFJPPIT-NSHDSACASA-N 1 2 328.338 3.647 50 0 EHAALO CC[N@H+](CC(=O)NCc1cccs1)Cc1ccc(F)cc1Cl ZINC000008709786 564166575 /nfs/dbraw/zinc/16/65/75/564166575.db2.gz HXSUOUFKKQQKTN-UHFFFAOYSA-N 1 2 340.851 3.679 50 0 EHAALO CC[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(F)cc1Cl ZINC000008709786 564166576 /nfs/dbraw/zinc/16/65/76/564166576.db2.gz HXSUOUFKKQQKTN-UHFFFAOYSA-N 1 2 340.851 3.679 50 0 EHAALO CCc1sc(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)cc1C ZINC000040121318 564168232 /nfs/dbraw/zinc/16/82/32/564168232.db2.gz ZQJDVGKPCPUNST-UHFFFAOYSA-N 1 2 331.485 3.790 50 0 EHAALO C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccccn1 ZINC000069519467 564170102 /nfs/dbraw/zinc/17/01/02/564170102.db2.gz SRGKIXYTVRUONX-GFCCVEGCSA-N 1 2 339.420 3.785 50 0 EHAALO O=C(Cc1coc(-c2ccccc2)n1)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000070010067 564173278 /nfs/dbraw/zinc/17/32/78/564173278.db2.gz HIBOTAUGKSHNEU-UHFFFAOYSA-N 1 2 344.374 3.913 50 0 EHAALO Cc1ccc(NC(=O)c2nc(-n3cc[nH+]c3)ncc2Cl)cc1Cl ZINC000041157750 564173629 /nfs/dbraw/zinc/17/36/29/564173629.db2.gz QOZWJYYBXXTDCG-UHFFFAOYSA-N 1 2 348.193 3.530 50 0 EHAALO O=C(NCC1(c2ccccc2)CCC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000071826992 564175681 /nfs/dbraw/zinc/17/56/81/564175681.db2.gz GVRJIMPOIKPPEQ-GOSISDBHSA-N 1 2 349.478 3.536 50 0 EHAALO CC(=O)Nc1cccc(NC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000077446642 564176715 /nfs/dbraw/zinc/17/67/15/564176715.db2.gz ZIARWBMAIVQWSZ-UHFFFAOYSA-N 1 2 349.394 3.690 50 0 EHAALO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc2ccccc2n1 ZINC000182888516 1125388190 /nfs/dbraw/zinc/38/81/90/1125388190.db2.gz PBFHHUGKDOJZRI-HNNXBMFYSA-N 1 2 334.423 3.640 50 0 EHAALO Cc1c[nH+]c([C@@H]2CCN(C(=O)CCc3ccccc3)C2)n1C(C)C ZINC000581816372 1132373009 /nfs/dbraw/zinc/37/30/09/1132373009.db2.gz VYMVGCNCILDTDM-GOSISDBHSA-N 1 2 325.456 3.721 50 0 EHAALO CC(=O)Nc1ccc(C[N@H+](C)Cc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000952978381 1137484858 /nfs/dbraw/zinc/48/48/58/1137484858.db2.gz FDJSWVUFUIXILS-UHFFFAOYSA-N 1 2 342.830 3.807 50 0 EHAALO CC(=O)Nc1ccc(C[N@@H+](C)Cc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000952978381 1137484859 /nfs/dbraw/zinc/48/48/59/1137484859.db2.gz FDJSWVUFUIXILS-UHFFFAOYSA-N 1 2 342.830 3.807 50 0 EHAALO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1C ZINC000050448655 214057080 /nfs/dbraw/zinc/05/70/80/214057080.db2.gz XXFRUWSCMXSRHR-HUUCEWRRSA-N 1 2 344.842 3.780 50 0 EHAALO COc1ccc(-c2nc(C[NH+]3CCSCC3)c(C)o2)c(C)c1C ZINC000055107445 214274087 /nfs/dbraw/zinc/27/40/87/214274087.db2.gz DZVOBRFUWHTEMC-UHFFFAOYSA-N 1 2 332.469 3.824 50 0 EHAALO CC(C)c1cc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)no1 ZINC000055340798 214308536 /nfs/dbraw/zinc/30/85/36/214308536.db2.gz TUIOWAZYKITCHJ-UHFFFAOYSA-N 1 2 328.391 3.959 50 0 EHAALO CC(C)c1cc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)no1 ZINC000055340798 214308538 /nfs/dbraw/zinc/30/85/38/214308538.db2.gz TUIOWAZYKITCHJ-UHFFFAOYSA-N 1 2 328.391 3.959 50 0 EHAALO CC[C@H](C)[N@H+](Cc1nccn1CCOC)Cc1ccccc1Cl ZINC000055344353 214310229 /nfs/dbraw/zinc/31/02/29/214310229.db2.gz VZLGPBUNZKWUQD-HNNXBMFYSA-N 1 2 335.879 3.984 50 0 EHAALO CC[C@H](C)[N@@H+](Cc1nccn1CCOC)Cc1ccccc1Cl ZINC000055344353 214310232 /nfs/dbraw/zinc/31/02/32/214310232.db2.gz VZLGPBUNZKWUQD-HNNXBMFYSA-N 1 2 335.879 3.984 50 0 EHAALO O=C(Nc1cccc(F)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055518275 214327686 /nfs/dbraw/zinc/32/76/86/214327686.db2.gz ZZAJWCKFNHIZKU-VMPITWQZSA-N 1 2 339.414 3.689 50 0 EHAALO COc1c2c(cc3c1[C@H](Nc1ccccc1Cl)[N@H+](C)CC3)OCO2 ZINC000004090245 210117995 /nfs/dbraw/zinc/11/79/95/210117995.db2.gz FJELQGAADOHOAC-GOSISDBHSA-N 1 2 346.814 3.676 50 0 biogenic EHAALO COc1c2c(cc3c1[C@H](Nc1ccccc1Cl)[N@@H+](C)CC3)OCO2 ZINC000004090245 210117997 /nfs/dbraw/zinc/11/79/97/210117997.db2.gz FJELQGAADOHOAC-GOSISDBHSA-N 1 2 346.814 3.676 50 0 biogenic EHAALO COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(C)cc1)[NH+](C)C ZINC000003441340 210039884 /nfs/dbraw/zinc/03/98/84/210039884.db2.gz MEHYYBDOVRDHFC-IBGZPJMESA-N 1 2 339.435 3.562 50 0 EHAALO Cc1ccc(C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C)c1 ZINC000067206112 215123716 /nfs/dbraw/zinc/12/37/16/215123716.db2.gz CBPBRWUDYXVOTA-UHFFFAOYSA-N 1 2 342.870 3.962 50 0 EHAALO CC(C)c1nc(CN2CCc3[nH+]c[nH]c3[C@H]2c2cccc(F)c2)co1 ZINC000067676347 215182618 /nfs/dbraw/zinc/18/26/18/215182618.db2.gz JADXPNGISYIGMW-GOSISDBHSA-N 1 2 340.402 3.808 50 0 EHAALO COc1ccc(-c2[nH+]ccn2CCc2c[nH]c3ccccc23)cc1O ZINC000067756862 215204888 /nfs/dbraw/zinc/20/48/88/215204888.db2.gz YXYBTYJTRKLJNC-UHFFFAOYSA-N 1 2 333.391 3.988 50 0 EHAALO FC(F)(F)c1ccnc(Nc2ccc([NH2+]C3CCOCC3)cc2)n1 ZINC000069375353 215392264 /nfs/dbraw/zinc/39/22/64/215392264.db2.gz OQNSSPNHIFBOEO-UHFFFAOYSA-N 1 2 338.333 3.830 50 0 EHAALO C[N@@H+]1CCc2nc(NC(=O)c3cc4ccccc4s3)sc2C1 ZINC000040472951 213310901 /nfs/dbraw/zinc/31/09/01/213310901.db2.gz PVTWIGBPXWQDTB-UHFFFAOYSA-N 1 2 329.450 3.598 50 0 EHAALO C[N@H+]1CCc2nc(NC(=O)c3cc4ccccc4s3)sc2C1 ZINC000040472951 213310905 /nfs/dbraw/zinc/31/09/05/213310905.db2.gz PVTWIGBPXWQDTB-UHFFFAOYSA-N 1 2 329.450 3.598 50 0 EHAALO CC(C)(C)c1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000040096408 213263440 /nfs/dbraw/zinc/26/34/40/213263440.db2.gz PYAIQFDRXTWXIN-UHFFFAOYSA-N 1 2 341.455 3.927 50 0 EHAALO CCCCc1nc(CN2CC[NH+](Cc3ccccc3F)CC2)cs1 ZINC000040088689 213261566 /nfs/dbraw/zinc/26/15/66/213261566.db2.gz XHQDUSNXNDZEIY-UHFFFAOYSA-N 1 2 347.503 3.943 50 0 EHAALO COc1ccc(-c2nc(C[N@H+](C)Cc3cccc(OC)c3)co2)cc1 ZINC000040050135 213255582 /nfs/dbraw/zinc/25/55/82/213255582.db2.gz DETTZAAWTYPCTC-UHFFFAOYSA-N 1 2 338.407 3.991 50 0 EHAALO COc1ccc(-c2nc(C[N@@H+](C)Cc3cccc(OC)c3)co2)cc1 ZINC000040050135 213255586 /nfs/dbraw/zinc/25/55/86/213255586.db2.gz DETTZAAWTYPCTC-UHFFFAOYSA-N 1 2 338.407 3.991 50 0 EHAALO O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038490084 213211266 /nfs/dbraw/zinc/21/12/66/213211266.db2.gz LPCHSFYGCFGJSY-UHFFFAOYSA-N 1 2 343.390 3.574 50 0 EHAALO Cc1cc(C)c(-c2[nH+]ccn2CC2CCOCC2)c(-n2cccn2)c1 ZINC000071765247 215820181 /nfs/dbraw/zinc/82/01/81/215820181.db2.gz KOZFZGZWEINQBA-UHFFFAOYSA-N 1 2 336.439 3.779 50 0 EHAALO Cc1ccc([C@@H](CC(=O)N2CCn3c[nH+]cc3C2)c2ccccc2)cc1 ZINC000072154396 216043705 /nfs/dbraw/zinc/04/37/05/216043705.db2.gz DIAYNQDOEAIHHW-NRFANRHFSA-N 1 2 345.446 3.756 50 0 EHAALO CC(C)Cn1c[nH+]cc1CNc1cc(-c2ccccc2)nc2ccnn21 ZINC000072167525 216057547 /nfs/dbraw/zinc/05/75/47/216057547.db2.gz NMGOSCBFDKCENV-UHFFFAOYSA-N 1 2 346.438 3.861 50 0 EHAALO CCCc1ncc(C[NH+]2CCN(c3ccc4ccccc4c3)CC2)cn1 ZINC000072167251 216058425 /nfs/dbraw/zinc/05/84/25/216058425.db2.gz JOBGEEGPHXIAHA-UHFFFAOYSA-N 1 2 346.478 3.905 50 0 EHAALO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1nccn1Cc1ccccc1 ZINC000072253570 216083897 /nfs/dbraw/zinc/08/38/97/216083897.db2.gz BGFDOZJNEXMXKA-LJQANCHMSA-N 1 2 349.482 3.619 50 0 EHAALO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1nccn1Cc1ccccc1 ZINC000072253570 216083899 /nfs/dbraw/zinc/08/38/99/216083899.db2.gz BGFDOZJNEXMXKA-LJQANCHMSA-N 1 2 349.482 3.619 50 0 EHAALO Cc1cc2nc(C(C)C)cc(NCc3c[nH+]cn3CC(C)C)n2n1 ZINC000072406887 216197895 /nfs/dbraw/zinc/19/78/95/216197895.db2.gz DPEHUIORYANDML-UHFFFAOYSA-N 1 2 326.448 3.626 50 0 EHAALO COc1ccc(NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000023234915 212361725 /nfs/dbraw/zinc/36/17/25/212361725.db2.gz FTSSCICXALDSBA-AWEZNQCLSA-N 1 2 336.395 3.764 50 0 EHAALO Cc1cn2cc(NC(=O)c3cc(F)c(Cl)nc3Cl)ccc2[nH+]1 ZINC000075127490 216567915 /nfs/dbraw/zinc/56/79/15/216567915.db2.gz UJAVHTRSJNKHOE-UHFFFAOYSA-N 1 2 339.157 3.736 50 0 EHAALO Cn1c[nH+]cc1CCC(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000193795850 240314336 /nfs/dbraw/zinc/31/43/36/240314336.db2.gz TYCXAHONISTYKF-XAVKZTDYSA-N 1 2 343.496 3.899 50 0 EHAALO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000244712760 243062448 /nfs/dbraw/zinc/06/24/48/243062448.db2.gz KWPFYMPAPPRTSG-CYBMUJFWSA-N 1 2 347.484 3.860 50 0 EHAALO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000244712760 243062455 /nfs/dbraw/zinc/06/24/55/243062455.db2.gz KWPFYMPAPPRTSG-CYBMUJFWSA-N 1 2 347.484 3.860 50 0 EHAALO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000020661319 212160677 /nfs/dbraw/zinc/16/06/77/212160677.db2.gz CCZCVEGBFGURBL-UHFFFAOYSA-N 1 2 343.858 3.998 50 0 EHAALO Cc1c(Cl)cccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019831944 212073120 /nfs/dbraw/zinc/07/31/20/212073120.db2.gz APOSBWHHEBSCTD-UHFFFAOYSA-N 1 2 344.842 3.733 50 0 EHAALO CC(=O)Nc1ccc(-c2[nH+]ccn2CCSc2ccccn2)cc1 ZINC000077486771 216915810 /nfs/dbraw/zinc/91/58/10/216915810.db2.gz HLYUNQBOVALWPY-UHFFFAOYSA-N 1 2 338.436 3.696 50 0 EHAALO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000019312308 212014546 /nfs/dbraw/zinc/01/45/46/212014546.db2.gz FHTUGFAZGJPHPA-UHFFFAOYSA-N 1 2 344.842 3.733 50 0 EHAALO COc1ccc([C@@H](CO)[N@H+](C)Cc2csc(-c3ccoc3)n2)cc1 ZINC000079091251 217190673 /nfs/dbraw/zinc/19/06/73/217190673.db2.gz QGPZNLCYTDSXML-QGZVFWFLSA-N 1 2 344.436 3.577 50 0 EHAALO COc1ccc([C@@H](CO)[N@@H+](C)Cc2csc(-c3ccoc3)n2)cc1 ZINC000079091251 217190674 /nfs/dbraw/zinc/19/06/74/217190674.db2.gz QGPZNLCYTDSXML-QGZVFWFLSA-N 1 2 344.436 3.577 50 0 EHAALO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000084647613 217625835 /nfs/dbraw/zinc/62/58/35/217625835.db2.gz XWMBNGCTEOMRQT-HNNXBMFYSA-N 1 2 334.419 3.968 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000091690877 218047885 /nfs/dbraw/zinc/04/78/85/218047885.db2.gz IGFRLYGEIAOWOF-GFCCVEGCSA-N 1 2 335.810 3.715 50 0 EHAALO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2cc(=O)c3ccccc3[nH]2)no1 ZINC000091663844 218043007 /nfs/dbraw/zinc/04/30/07/218043007.db2.gz CJMKDEMEESHCKJ-SFHVURJKSA-N 1 2 337.423 3.977 50 0 EHAALO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2cc(=O)c3ccccc3[nH]2)no1 ZINC000091663844 218043009 /nfs/dbraw/zinc/04/30/09/218043009.db2.gz CJMKDEMEESHCKJ-SFHVURJKSA-N 1 2 337.423 3.977 50 0 EHAALO Cc1cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000011255717 211210168 /nfs/dbraw/zinc/21/01/68/211210168.db2.gz PWMDHBDUHYDITM-JTQLQIEISA-N 1 2 342.226 3.749 50 0 EHAALO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000011255717 211210174 /nfs/dbraw/zinc/21/01/74/211210174.db2.gz PWMDHBDUHYDITM-JTQLQIEISA-N 1 2 342.226 3.749 50 0 EHAALO Clc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)s1 ZINC000091933726 218091050 /nfs/dbraw/zinc/09/10/50/218091050.db2.gz UHIMYYUZFQYTIP-GOEBONIOSA-N 1 2 347.915 3.893 50 0 EHAALO Clc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)s1 ZINC000091933726 218091051 /nfs/dbraw/zinc/09/10/51/218091051.db2.gz UHIMYYUZFQYTIP-GOEBONIOSA-N 1 2 347.915 3.893 50 0 EHAALO Cc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c1 ZINC000010260921 211158484 /nfs/dbraw/zinc/15/84/84/211158484.db2.gz CAMHNGKQQRIJGC-QGZVFWFLSA-N 1 2 338.386 3.779 50 0 EHAALO CCC[C@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000010094030 211147760 /nfs/dbraw/zinc/14/77/60/211147760.db2.gz XZFSFHGTNDOTTJ-KRWDZBQOSA-N 1 2 328.481 3.764 50 0 EHAALO CCC[C@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000010094030 211147763 /nfs/dbraw/zinc/14/77/63/211147763.db2.gz XZFSFHGTNDOTTJ-KRWDZBQOSA-N 1 2 328.481 3.764 50 0 EHAALO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCc3sccc3C2)cc1 ZINC000010093615 211146803 /nfs/dbraw/zinc/14/68/03/211146803.db2.gz UMKZRBUJIZEJBS-AWEZNQCLSA-N 1 2 328.481 3.546 50 0 EHAALO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCc3sccc3C2)cc1 ZINC000010093615 211146807 /nfs/dbraw/zinc/14/68/07/211146807.db2.gz UMKZRBUJIZEJBS-AWEZNQCLSA-N 1 2 328.481 3.546 50 0 EHAALO Fc1ccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)cc1Cl ZINC000093015934 218186655 /nfs/dbraw/zinc/18/66/55/218186655.db2.gz RDDCDUORJXFFEY-UHFFFAOYSA-N 1 2 339.867 3.644 50 0 EHAALO Fc1ccc(C[N@H+]2CCCN(Cc3cscn3)CC2)cc1Cl ZINC000093015934 218186658 /nfs/dbraw/zinc/18/66/58/218186658.db2.gz RDDCDUORJXFFEY-UHFFFAOYSA-N 1 2 339.867 3.644 50 0 EHAALO Fc1ccc(CN2CCC[N@H+](Cc3cscn3)CC2)cc1Cl ZINC000093015934 218186660 /nfs/dbraw/zinc/18/66/60/218186660.db2.gz RDDCDUORJXFFEY-UHFFFAOYSA-N 1 2 339.867 3.644 50 0 EHAALO Fc1ccc(CN2CCC[N@@H+](Cc3cscn3)CC2)cc1Cl ZINC000093015934 218186663 /nfs/dbraw/zinc/18/66/63/218186663.db2.gz RDDCDUORJXFFEY-UHFFFAOYSA-N 1 2 339.867 3.644 50 0 EHAALO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)NC2CC=CC2)CC1 ZINC000093136841 218195409 /nfs/dbraw/zinc/19/54/09/218195409.db2.gz JHTXGIYCDDXHSV-UHFFFAOYSA-N 1 2 338.455 3.664 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2cccn2C)c1C ZINC000009546669 211101907 /nfs/dbraw/zinc/10/19/07/211101907.db2.gz WCFKXMADLVLUML-WMLDXEAASA-N 1 2 341.455 3.581 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2cccn2C)c1C ZINC000009546669 211101911 /nfs/dbraw/zinc/10/19/11/211101911.db2.gz WCFKXMADLVLUML-WMLDXEAASA-N 1 2 341.455 3.581 50 0 EHAALO COc1ccccc1[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000009256028 211058733 /nfs/dbraw/zinc/05/87/33/211058733.db2.gz FSXLRUUHZPWUJI-CQSZACIVSA-N 1 2 345.406 3.997 50 0 EHAALO Cc1cc(F)ccc1CC(=O)N1CCC[C@@H](c2[nH+]ccn2C(C)C)C1 ZINC000095368489 218301111 /nfs/dbraw/zinc/30/11/11/218301111.db2.gz UZEWCAZNOYIHLK-QGZVFWFLSA-N 1 2 343.446 3.860 50 0 EHAALO Cc1nc2ccc(NCc3[nH+]ccn3CC(F)(F)F)cc2s1 ZINC000095402822 218337600 /nfs/dbraw/zinc/33/76/00/218337600.db2.gz UWFNOSPHDRRCBD-UHFFFAOYSA-N 1 2 326.347 3.976 50 0 EHAALO COc1ccccc1[C@H]([NH2+]Cc1cnn2ccccc12)c1ccco1 ZINC000178870797 533020378 /nfs/dbraw/zinc/02/03/78/533020378.db2.gz PAIWNUVNNODLIJ-FQEVSTJZSA-N 1 2 333.391 3.815 50 0 EHAALO CCCn1cc[nH+]c1CNC(=O)Nc1ccccc1O[C@@H](C)CC ZINC000097295386 219010175 /nfs/dbraw/zinc/01/01/75/219010175.db2.gz IANZFZDRYKQQFD-AWEZNQCLSA-N 1 2 330.432 3.792 50 0 EHAALO Cc1ccc(C(=O)Cn2cc(-c3cccc(Cl)c3)n(C)c2=[NH2+])cc1 ZINC000334157563 258004824 /nfs/dbraw/zinc/00/48/24/258004824.db2.gz LVPVAMGNWXDWAL-UHFFFAOYSA-N 1 2 339.826 3.818 50 0 EHAALO CSCC(C)(C)C(=O)N1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000282930784 258012803 /nfs/dbraw/zinc/01/28/03/258012803.db2.gz UAJDHFASYDYGDQ-UHFFFAOYSA-N 1 2 345.512 3.897 50 0 EHAALO Cc1ccccc1C[N@@H+]1CCN(c2ccc(F)cc2F)C(=O)[C@H]1C ZINC000037519904 132395081 /nfs/dbraw/zinc/39/50/81/132395081.db2.gz LBYUJRXOUMHUOD-CQSZACIVSA-N 1 2 330.378 3.511 50 0 EHAALO Cc1ccccc1C[N@H+]1CCN(c2ccc(F)cc2F)C(=O)[C@H]1C ZINC000037519904 132395083 /nfs/dbraw/zinc/39/50/83/132395083.db2.gz LBYUJRXOUMHUOD-CQSZACIVSA-N 1 2 330.378 3.511 50 0 EHAALO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023903550 135730782 /nfs/dbraw/zinc/73/07/82/135730782.db2.gz QLLFTXZRDKDWGE-CYBMUJFWSA-N 1 2 348.878 3.904 50 0 EHAALO C[C@@H](C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F)n1cc[nH+]c1 ZINC000071921780 563627146 /nfs/dbraw/zinc/62/71/46/563627146.db2.gz LVTVTMMREMPKGY-JOYOIKCWSA-N 1 2 331.725 3.517 50 0 EHAALO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000013097190 563687698 /nfs/dbraw/zinc/68/76/98/563687698.db2.gz MZTKSAKGJSEGOR-UHFFFAOYSA-N 1 2 328.843 3.606 50 0 EHAALO C[C@H]([NH2+]Cc1nc(=O)c2sccc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000014244696 563754720 /nfs/dbraw/zinc/75/47/20/563754720.db2.gz ZLZPHCNCALVIDD-LBPRGKRZSA-N 1 2 339.464 3.714 50 0 EHAALO Cc1ccc(-c2nc(C[N@H+](CCO)Cc3cccs3)c(C)o2)o1 ZINC000014976908 563769552 /nfs/dbraw/zinc/76/95/52/563769552.db2.gz MSEXVQYICXJCGK-UHFFFAOYSA-N 1 2 332.425 3.607 50 0 EHAALO Cc1ccc(-c2nc(C[N@@H+](CCO)Cc3cccs3)c(C)o2)o1 ZINC000014976908 563769555 /nfs/dbraw/zinc/76/95/55/563769555.db2.gz MSEXVQYICXJCGK-UHFFFAOYSA-N 1 2 332.425 3.607 50 0 EHAALO O=C(NCCc1cccc(Cl)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000032932205 563844108 /nfs/dbraw/zinc/84/41/08/563844108.db2.gz JRCIRFIPIXCWAG-UHFFFAOYSA-N 1 2 339.826 3.557 50 0 EHAALO c1ccc([C@@H](CNc2nc3ccccc3s2)[NH+]2CCOCC2)cc1 ZINC000029525986 563907233 /nfs/dbraw/zinc/90/72/33/563907233.db2.gz CFYFAVJFJJWRGC-QGZVFWFLSA-N 1 2 339.464 3.782 50 0 EHAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1occc1-c1ccccc1 ZINC000030012823 563909326 /nfs/dbraw/zinc/90/93/26/563909326.db2.gz ZBSRIBUEPTUFCZ-UHFFFAOYSA-N 1 2 347.418 3.872 50 0 EHAALO Cc1cc(OC(C)C)ccc1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058209489 563939864 /nfs/dbraw/zinc/93/98/64/563939864.db2.gz WKFBNPVYGNJJFV-UHFFFAOYSA-N 1 2 336.395 3.615 50 0 EHAALO CCc1sc(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000058391547 563944507 /nfs/dbraw/zinc/94/45/07/563944507.db2.gz XVNVSLGJVRFKGL-UHFFFAOYSA-N 1 2 343.496 3.755 50 0 EHAALO C[C@H](NC(=O)[C@@H]1CCOc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432066 563952644 /nfs/dbraw/zinc/95/26/44/563952644.db2.gz VORURECXXYFGHZ-HNAYVOBHSA-N 1 2 347.418 3.616 50 0 EHAALO CCc1nc(Cn2cc[nH+]c2-c2ccc(OC)c3ccccc23)no1 ZINC000071752645 563965174 /nfs/dbraw/zinc/96/51/74/563965174.db2.gz OOQLEPYUARKGDO-UHFFFAOYSA-N 1 2 334.379 3.706 50 0 EHAALO COc1cccc(F)c1[C@H](C)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000176018637 563974765 /nfs/dbraw/zinc/97/47/65/563974765.db2.gz DTFRBFYSRJGOTI-GXTWGEPZSA-N 1 2 346.406 3.555 50 0 EHAALO O=C(Cc1ccc(F)cc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000135170887 563996940 /nfs/dbraw/zinc/99/69/40/563996940.db2.gz HATADFCPWXQDFX-UHFFFAOYSA-N 1 2 343.789 3.524 50 0 EHAALO COc1ccc(C[N@H+](C)Cc2cnc(C)s2)c(Cl)c1OC ZINC000179384019 564016925 /nfs/dbraw/zinc/01/69/25/564016925.db2.gz FTYXUPPFGRHKJB-UHFFFAOYSA-N 1 2 326.849 3.754 50 0 EHAALO COc1ccc(C[N@@H+](C)Cc2cnc(C)s2)c(Cl)c1OC ZINC000179384019 564016926 /nfs/dbraw/zinc/01/69/26/564016926.db2.gz FTYXUPPFGRHKJB-UHFFFAOYSA-N 1 2 326.849 3.754 50 0 EHAALO CSc1nc2c3c4c(c(C(C)C)nc3sc2c(NN)[nH+]1)CCC4 ZINC000000538810 564022354 /nfs/dbraw/zinc/02/23/54/564022354.db2.gz PXFFYSZWEBDDJW-UHFFFAOYSA-N 1 2 345.497 3.859 50 0 EHAALO O=C(Nc1ccc(OC2CCCC2)cc1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000048224503 564030271 /nfs/dbraw/zinc/03/02/71/564030271.db2.gz RMDIZLXQBLKLMS-UHFFFAOYSA-N 1 2 348.406 3.841 50 0 EHAALO CC(C)OC(=O)Cc1nc(CSc2[nH+]cc3ccccn32)cs1 ZINC000048309208 564030764 /nfs/dbraw/zinc/03/07/64/564030764.db2.gz QLPGXKHMRAVPDL-UHFFFAOYSA-N 1 2 347.465 3.577 50 0 EHAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(F)c3)o2)on1 ZINC000075640497 564031988 /nfs/dbraw/zinc/03/19/88/564031988.db2.gz IYGMRPJVPDZTBJ-AWEZNQCLSA-N 1 2 328.347 3.509 50 0 EHAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2nnc(-c3cccc(F)c3)o2)on1 ZINC000075640497 564031989 /nfs/dbraw/zinc/03/19/89/564031989.db2.gz IYGMRPJVPDZTBJ-AWEZNQCLSA-N 1 2 328.347 3.509 50 0 EHAALO O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075553254 564032000 /nfs/dbraw/zinc/03/20/00/564032000.db2.gz AQNDCASSDOSHLO-AWEZNQCLSA-N 1 2 338.436 3.553 50 0 EHAALO O=C(C[C@@H]1OCCc2ccccc21)Nc1ccccc1-n1cc[nH+]c1 ZINC000115329821 564033088 /nfs/dbraw/zinc/03/30/88/564033088.db2.gz JKLRDENLDBLSPL-IBGZPJMESA-N 1 2 333.391 3.515 50 0 EHAALO CSCc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)o1 ZINC000218824283 564034468 /nfs/dbraw/zinc/03/44/68/564034468.db2.gz HFGYVCUDNZOPPH-INIZCTEOSA-N 1 2 341.436 3.510 50 0 EHAALO FC(F)(F)COc1cc(NCc2ccc(-n3cccn3)cc2)cc[nH+]1 ZINC000225429452 564046622 /nfs/dbraw/zinc/04/66/22/564046622.db2.gz MWIKHRJSRLXUKC-UHFFFAOYSA-N 1 2 348.328 3.821 50 0 EHAALO CC(C)[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1F ZINC000184002931 564058102 /nfs/dbraw/zinc/05/81/02/564058102.db2.gz KAELZGKMATYBOS-YVEFUNNKSA-N 1 2 349.837 3.752 50 0 EHAALO C[C@@H](NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C)c1ccc(F)cc1 ZINC000012758457 564067240 /nfs/dbraw/zinc/06/72/40/564067240.db2.gz PCBJWMVJTGKHJO-OLZOCXBDSA-N 1 2 332.444 3.684 50 0 EHAALO C[C@@H](NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C)c1ccc(F)cc1 ZINC000012758457 564067241 /nfs/dbraw/zinc/06/72/41/564067241.db2.gz PCBJWMVJTGKHJO-OLZOCXBDSA-N 1 2 332.444 3.684 50 0 EHAALO O=C(OCc1cccc2[nH+]ccn21)[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000084425300 564068081 /nfs/dbraw/zinc/06/80/81/564068081.db2.gz XPXATBBXMNIAPP-HOTGVXAUSA-N 1 2 326.783 3.835 50 0 EHAALO C[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2C1 ZINC000015880103 564077329 /nfs/dbraw/zinc/07/73/29/564077329.db2.gz GRQJGDRGZCIATO-UHFFFAOYSA-N 1 2 348.280 3.752 50 0 EHAALO C[N@H+]1CCc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2C1 ZINC000015880103 564077330 /nfs/dbraw/zinc/07/73/30/564077330.db2.gz GRQJGDRGZCIATO-UHFFFAOYSA-N 1 2 348.280 3.752 50 0 EHAALO Cc1ccc([C@@H]2CCCN2C(=O)c2ccnc(-n3cc[nH+]c3)c2)cc1C ZINC000063816447 564078772 /nfs/dbraw/zinc/07/87/72/564078772.db2.gz NQZDDWOWQWRDBK-IBGZPJMESA-N 1 2 346.434 3.861 50 0 EHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000242346843 564088538 /nfs/dbraw/zinc/08/85/38/564088538.db2.gz ZJOIEQHZKDKAPB-YUELXQCFSA-N 1 2 346.452 3.709 50 0 EHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000242346843 564088539 /nfs/dbraw/zinc/08/85/39/564088539.db2.gz ZJOIEQHZKDKAPB-YUELXQCFSA-N 1 2 346.452 3.709 50 0 EHAALO COc1cccc(C[N@H+](C)Cc2ccc(Br)s2)n1 ZINC000075611015 564089884 /nfs/dbraw/zinc/08/98/84/564089884.db2.gz ZHOIRGABIBLBFB-UHFFFAOYSA-N 1 2 327.247 3.546 50 0 EHAALO COc1cccc(C[N@@H+](C)Cc2ccc(Br)s2)n1 ZINC000075611015 564089885 /nfs/dbraw/zinc/08/98/85/564089885.db2.gz ZHOIRGABIBLBFB-UHFFFAOYSA-N 1 2 327.247 3.546 50 0 EHAALO Cn1ncc2c1nc[nH+]c2SCCOc1cccc2ccccc21 ZINC000064927650 564097842 /nfs/dbraw/zinc/09/78/42/564097842.db2.gz LZINARAWEULDIT-UHFFFAOYSA-N 1 2 336.420 3.688 50 0 EHAALO Cc1ccc([C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C2CC2)cc1 ZINC000065475720 564106266 /nfs/dbraw/zinc/10/62/66/564106266.db2.gz VMUWLANGCCSQRX-HXUWFJFHSA-N 1 2 333.435 3.761 50 0 EHAALO CCC(C)(C)NC(=O)C[N@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000065491567 564106457 /nfs/dbraw/zinc/10/64/57/564106457.db2.gz JGDAYYXHIOOXHJ-IBGZPJMESA-N 1 2 343.446 3.547 50 0 EHAALO CCC(C)(C)NC(=O)C[N@@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000065491567 564106458 /nfs/dbraw/zinc/10/64/58/564106458.db2.gz JGDAYYXHIOOXHJ-IBGZPJMESA-N 1 2 343.446 3.547 50 0 EHAALO Cc1ccc(OC(F)F)c(CNc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000170592338 564108900 /nfs/dbraw/zinc/10/89/00/564108900.db2.gz KCKBZFYIHMWTSQ-UHFFFAOYSA-N 1 2 330.338 3.789 50 0 EHAALO CC(=O)c1csc(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1 ZINC000089869745 564114615 /nfs/dbraw/zinc/11/46/15/564114615.db2.gz QFUCWDLZYPDAFT-UHFFFAOYSA-N 1 2 339.420 3.967 50 0 EHAALO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C(C)(C)C)c1nc(C2CC2)no1 ZINC000076046812 564114881 /nfs/dbraw/zinc/11/48/81/564114881.db2.gz CRGCLHWCRBTHSF-BXUZGUMPSA-N 1 2 329.448 3.627 50 0 EHAALO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640622 564121449 /nfs/dbraw/zinc/12/14/49/564121449.db2.gz NBLLQKZWMRZNGZ-UHFFFAOYSA-N 1 2 336.391 3.520 50 0 EHAALO Cc1[nH]c2ccccc2c1C(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640622 564121450 /nfs/dbraw/zinc/12/14/50/564121450.db2.gz NBLLQKZWMRZNGZ-UHFFFAOYSA-N 1 2 336.391 3.520 50 0 EHAALO C[C@H](Nc1cccc(C[N@H+](C)Cc2cscn2)c1)[C@H]1CCOC1 ZINC000195099786 564122803 /nfs/dbraw/zinc/12/28/03/564122803.db2.gz SNMXFPKBTHFJIE-HOCLYGCPSA-N 1 2 331.485 3.612 50 0 EHAALO C[C@H](Nc1cccc(C[N@@H+](C)Cc2cscn2)c1)[C@H]1CCOC1 ZINC000195099786 564122804 /nfs/dbraw/zinc/12/28/04/564122804.db2.gz SNMXFPKBTHFJIE-HOCLYGCPSA-N 1 2 331.485 3.612 50 0 EHAALO CCN(C(=O)c1cccc(-n2cc[nH+]c2)n1)[C@@H](C)c1ccc(F)cc1 ZINC000195558216 564123743 /nfs/dbraw/zinc/12/37/43/564123743.db2.gz BTWYKTKCJYRJDZ-AWEZNQCLSA-N 1 2 338.386 3.630 50 0 EHAALO CCn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(COC)o2)c1 ZINC000130881239 564132631 /nfs/dbraw/zinc/13/26/31/564132631.db2.gz UVEIKNABFSKUMD-UHFFFAOYSA-N 1 2 325.368 3.562 50 0 EHAALO O=C(NCc1ccc(-c2ccccc2)o1)c1ccc(Cn2cc[nH+]c2)o1 ZINC000095395236 564139437 /nfs/dbraw/zinc/13/94/37/564139437.db2.gz YYZQUAUWLJAAFO-UHFFFAOYSA-N 1 2 347.374 3.714 50 0 EHAALO C[C@@H]1CCCN(c2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)C1 ZINC000020662194 564141756 /nfs/dbraw/zinc/14/17/56/564141756.db2.gz JVPKVQJPHXIXRL-GFCCVEGCSA-N 1 2 327.819 3.705 50 0 EHAALO CC[C@@H](CO)[N@H+](Cc1csc([C@@H](C)OC)n1)Cc1ccccc1 ZINC000096012860 564144725 /nfs/dbraw/zinc/14/47/25/564144725.db2.gz CFBZNWYCGZQAIU-PBHICJAKSA-N 1 2 334.485 3.624 50 0 EHAALO CC[C@@H](CO)[N@@H+](Cc1csc([C@@H](C)OC)n1)Cc1ccccc1 ZINC000096012860 564144726 /nfs/dbraw/zinc/14/47/26/564144726.db2.gz CFBZNWYCGZQAIU-PBHICJAKSA-N 1 2 334.485 3.624 50 0 EHAALO O=C(N[C@H](c1ccccc1)C1CCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000096404206 564147255 /nfs/dbraw/zinc/14/72/55/564147255.db2.gz MZICHPBSUDFHSF-ZWKOTPCHSA-N 1 2 338.455 3.840 50 0 EHAALO Cc1[nH+]c2n(c1C)CCN(Cc1ccc(Cl)c3cccnc13)C2 ZINC000097201713 564149573 /nfs/dbraw/zinc/14/95/73/564149573.db2.gz NROHYYBHQYJBLA-UHFFFAOYSA-N 1 2 326.831 3.717 50 0 EHAALO COc1ccc([C@H]2CCCN2Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000057871512 564156316 /nfs/dbraw/zinc/15/63/16/564156316.db2.gz VRMRKSWJMSBMBV-OAHLLOKOSA-N 1 2 339.361 3.791 50 0 EHAALO CC[C@H](NC(=O)N(C)Cc1[nH]c2ccccc2c1C)c1[nH]cc(C)[nH+]1 ZINC000670473773 564167158 /nfs/dbraw/zinc/16/71/58/564167158.db2.gz UHMZRQXJFMBBAP-HNNXBMFYSA-N 1 2 339.443 3.801 50 0 EHAALO Cc1cc(F)ccc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000069414014 564169185 /nfs/dbraw/zinc/16/91/85/564169185.db2.gz VXSUDLRTPJUABC-GOSISDBHSA-N 1 2 327.403 3.522 50 0 EHAALO Cc1cc(F)ccc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000069414014 564169186 /nfs/dbraw/zinc/16/91/86/564169186.db2.gz VXSUDLRTPJUABC-GOSISDBHSA-N 1 2 327.403 3.522 50 0 EHAALO O=C(CCc1ccc2ccccc2c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069659476 564171265 /nfs/dbraw/zinc/17/12/65/564171265.db2.gz URFKAOGUKMYKFW-FQEVSTJZSA-N 1 2 333.435 3.833 50 0 EHAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1cccs1)C1CCCC1 ZINC000041402813 564173834 /nfs/dbraw/zinc/17/38/34/564173834.db2.gz ZNMUTBGTUIAIHU-BBRMVZONSA-N 1 2 332.473 3.564 50 0 EHAALO Cc1cc(C)cc(-n2ncc3c2nc[nH+]c3N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000009627441 564174327 /nfs/dbraw/zinc/17/43/27/564174327.db2.gz RWWCTOJKSVZEJL-HZPDHXFCSA-N 1 2 335.455 3.915 50 0 EHAALO CCOc1nnc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)s1 ZINC000071841187 564175831 /nfs/dbraw/zinc/17/58/31/564175831.db2.gz SJPXGMRFWCTBHY-UHFFFAOYSA-N 1 2 342.468 3.798 50 0 EHAALO Cc1cccc(C[N@H+]2CCc3c(sc4ncnc(N(C)C)c34)C2)c1 ZINC000169757015 1032606250 /nfs/dbraw/zinc/60/62/50/1032606250.db2.gz JMAOISBVGRTOSJ-UHFFFAOYSA-N 1 2 338.480 3.624 50 0 EHAALO Cc1cccc(C[N@@H+]2CCc3c(sc4ncnc(N(C)C)c34)C2)c1 ZINC000169757015 1032606264 /nfs/dbraw/zinc/60/62/64/1032606264.db2.gz JMAOISBVGRTOSJ-UHFFFAOYSA-N 1 2 338.480 3.624 50 0 EHAALO COc1cccc(/C=C/C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000005902026 1042936589 /nfs/dbraw/zinc/93/65/89/1042936589.db2.gz NPDWRDNGNKODGD-RFKZRZAASA-N 1 2 347.418 3.772 50 0 EHAALO Cc1ccccc1NC(=S)N1CC[NH+](/C=C/c2ccccc2)CC1 ZINC000051271036 214086083 /nfs/dbraw/zinc/08/60/83/214086083.db2.gz AULKKUOFHUVBAW-VAWYXSNFSA-N 1 2 337.492 3.980 50 0 EHAALO Cc1cccn2c(CC(=O)N3CC=C(c4ccc(F)cc4)CC3)c[nH+]c12 ZINC000097694812 219048626 /nfs/dbraw/zinc/04/86/26/219048626.db2.gz RIGBNJUCIJCZSP-UHFFFAOYSA-N 1 2 349.409 3.640 50 0 EHAALO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000054993877 214263979 /nfs/dbraw/zinc/26/39/79/214263979.db2.gz BBGIUUYEXDEHIH-HNNXBMFYSA-N 1 2 346.521 3.704 50 0 EHAALO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC000054993877 214263982 /nfs/dbraw/zinc/26/39/82/214263982.db2.gz BBGIUUYEXDEHIH-HNNXBMFYSA-N 1 2 346.521 3.704 50 0 EHAALO Cc1ccccc1/C=C\C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000098000995 219067347 /nfs/dbraw/zinc/06/73/47/219067347.db2.gz NGEXGXORUKVJBT-CBUFDYBVSA-N 1 2 331.419 3.648 50 0 EHAALO Cc1ccccc1[C@H]1CCC[N@@H+]1Cn1nc(C(C)(C)C)ccc1=O ZINC000066792879 215079922 /nfs/dbraw/zinc/07/99/22/215079922.db2.gz DUVMCTOSKHSVMO-QGZVFWFLSA-N 1 2 325.456 3.644 50 0 EHAALO Cc1ccccc1[C@H]1CCC[N@H+]1Cn1nc(C(C)(C)C)ccc1=O ZINC000066792879 215079925 /nfs/dbraw/zinc/07/99/25/215079925.db2.gz DUVMCTOSKHSVMO-QGZVFWFLSA-N 1 2 325.456 3.644 50 0 EHAALO CC(C)(C)c1nc(C[NH2+]Cc2ccc3c(c2)OCCCO3)cs1 ZINC000067011224 215104140 /nfs/dbraw/zinc/10/41/40/215104140.db2.gz QZQCIJHQVBWQPZ-UHFFFAOYSA-N 1 2 332.469 3.892 50 0 EHAALO Cc1ccc2nc(C[NH2+][C@H](C)c3cn4ccsc4n3)[nH]c2c1C ZINC000067803597 215215221 /nfs/dbraw/zinc/21/52/21/215215221.db2.gz XWQAAYIEOQXYLC-GFCCVEGCSA-N 1 2 325.441 3.740 50 0 EHAALO COc1ccc(-c2nc(Cn3c[nH+]c(C)c3)c(C)o2)c(OC)c1C ZINC000067855227 215233930 /nfs/dbraw/zinc/23/39/30/215233930.db2.gz YYOROHJNXKLRMV-UHFFFAOYSA-N 1 2 327.384 3.529 50 0 EHAALO COc1ccccc1OC1C[NH+](Cc2ccc(OC(F)F)cc2)C1 ZINC000072130946 216020786 /nfs/dbraw/zinc/02/07/86/216020786.db2.gz YLLVOZFZJHCEPK-UHFFFAOYSA-N 1 2 335.350 3.560 50 0 EHAALO Cc1cc(C[C@H](C)n2cc[nH+]c2-c2cccc(-n3cccn3)c2)n[nH]1 ZINC000072420181 216209231 /nfs/dbraw/zinc/20/92/31/216209231.db2.gz PSXKVODNYMGZFC-HNNXBMFYSA-N 1 2 332.411 3.571 50 0 EHAALO Cc1cc(C[C@H](C)n2cc[nH+]c2-c2cccc(-n3cccn3)c2)[nH]n1 ZINC000072420181 216209234 /nfs/dbraw/zinc/20/92/34/216209234.db2.gz PSXKVODNYMGZFC-HNNXBMFYSA-N 1 2 332.411 3.571 50 0 EHAALO Cc1nc(C)c(C[N@@H+]2CCO[C@H](CCCc3ccccc3)C2)nc1C ZINC000023337577 212369533 /nfs/dbraw/zinc/36/95/33/212369533.db2.gz XKTQWXBIQLKUBB-HXUWFJFHSA-N 1 2 339.483 3.626 50 0 EHAALO Cc1nc(C)c(C[N@H+]2CCO[C@H](CCCc3ccccc3)C2)nc1C ZINC000023337577 212369535 /nfs/dbraw/zinc/36/95/35/212369535.db2.gz XKTQWXBIQLKUBB-HXUWFJFHSA-N 1 2 339.483 3.626 50 0 EHAALO Cc1nccc(-c2ccccc2)c1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000215942626 241155807 /nfs/dbraw/zinc/15/58/07/241155807.db2.gz KXCWCEKFSYHFHW-UHFFFAOYSA-N 1 2 346.434 3.800 50 0 EHAALO Fc1cccc([C@]2(CNc3ccc(-n4cc[nH+]c4)cc3)CCOC2)c1 ZINC000020877861 212181796 /nfs/dbraw/zinc/18/17/96/212181796.db2.gz ILKGMVXGZUMMOQ-FQEVSTJZSA-N 1 2 337.398 3.782 50 0 EHAALO CCOc1ccc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC000019889208 212079780 /nfs/dbraw/zinc/07/97/80/212079780.db2.gz OVLZKHACSFVVLV-UHFFFAOYSA-N 1 2 344.499 3.700 50 0 EHAALO COc1ccc([C@H](NC(=O)c2cccc(C)c2C)c2[nH+]ccn2C)cc1 ZINC000012507397 211395503 /nfs/dbraw/zinc/39/55/03/211395503.db2.gz FDYZGWGKMDAVAF-IBGZPJMESA-N 1 2 349.434 3.565 50 0 EHAALO C[C@H](NC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1)c1ccccc1 ZINC000012093867 211289143 /nfs/dbraw/zinc/28/91/43/211289143.db2.gz ROJAUHWDIPNZTF-INIZCTEOSA-N 1 2 349.434 3.798 50 0 EHAALO C[C@H](NC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1)c1ccccc1 ZINC000012093867 211289149 /nfs/dbraw/zinc/28/91/49/211289149.db2.gz ROJAUHWDIPNZTF-INIZCTEOSA-N 1 2 349.434 3.798 50 0 EHAALO C[C@H](C(=O)Nc1ccc(Cl)cc1F)[N@@H+]1CCc2sccc2C1 ZINC000010341976 211167739 /nfs/dbraw/zinc/16/77/39/211167739.db2.gz KDRALVUQZBDSCF-SNVBAGLBSA-N 1 2 338.835 3.926 50 0 EHAALO C[C@H](C(=O)Nc1ccc(Cl)cc1F)[N@H+]1CCc2sccc2C1 ZINC000010341976 211167743 /nfs/dbraw/zinc/16/77/43/211167743.db2.gz KDRALVUQZBDSCF-SNVBAGLBSA-N 1 2 338.835 3.926 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000010260895 211158748 /nfs/dbraw/zinc/15/87/48/211158748.db2.gz DNOPNNMGOIQTRO-INIZCTEOSA-N 1 2 340.814 3.985 50 0 EHAALO c1c[nH]c([C@@H]2CCCC[N@H+]2Cc2ccc(Oc3cnccn3)cc2)n1 ZINC000092729857 218162670 /nfs/dbraw/zinc/16/26/70/218162670.db2.gz SXVBBIGFWWWADW-KRWDZBQOSA-N 1 2 335.411 3.719 50 0 EHAALO c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2ccc(Oc3cnccn3)cc2)n1 ZINC000092729857 218162673 /nfs/dbraw/zinc/16/26/73/218162673.db2.gz SXVBBIGFWWWADW-KRWDZBQOSA-N 1 2 335.411 3.719 50 0 EHAALO O=C1/C(=C\c2ccco2)c2ccc(Cl)cc2N1C[NH+]1CCCC1 ZINC000009547862 211101594 /nfs/dbraw/zinc/10/15/94/211101594.db2.gz VILSQWPSXCKWEC-WJDWOHSUSA-N 1 2 328.799 3.874 50 0 EHAALO Cc1ccc([C@@H]2C[N@H+](Cc3cnc(-c4cccnc4)s3)CCO2)o1 ZINC000093864703 218254879 /nfs/dbraw/zinc/25/48/79/218254879.db2.gz QPFHZRPUWJPVMI-KRWDZBQOSA-N 1 2 341.436 3.680 50 0 EHAALO Cc1ccc([C@@H]2C[N@@H+](Cc3cnc(-c4cccnc4)s3)CCO2)o1 ZINC000093864703 218254881 /nfs/dbraw/zinc/25/48/81/218254881.db2.gz QPFHZRPUWJPVMI-KRWDZBQOSA-N 1 2 341.436 3.680 50 0 EHAALO CSCc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)o1 ZINC000095384241 218317309 /nfs/dbraw/zinc/31/73/09/218317309.db2.gz ZFMZKVLEGAHVEO-CQSZACIVSA-N 1 2 347.484 3.940 50 0 EHAALO Cc1ncsc1CC[N@@H+](C)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000095399437 218332939 /nfs/dbraw/zinc/33/29/39/218332939.db2.gz KRJADRBGGPZPMR-QGZVFWFLSA-N 1 2 342.443 3.645 50 0 EHAALO Cc1ncsc1CC[N@H+](C)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000095399437 218332941 /nfs/dbraw/zinc/33/29/41/218332941.db2.gz KRJADRBGGPZPMR-QGZVFWFLSA-N 1 2 342.443 3.645 50 0 EHAALO Cc1cnc([C@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C2CC2)s1 ZINC000095405374 218340904 /nfs/dbraw/zinc/34/09/04/218340904.db2.gz PFZLOTPYVKNBCB-UONOGXRCSA-N 1 2 345.472 3.563 50 0 EHAALO CCc1noc([C@@H](C)[NH+]2CCC(Oc3ccccc3Cl)CC2)n1 ZINC000095436535 218379385 /nfs/dbraw/zinc/37/93/85/218379385.db2.gz XEKIXGPWLYLCMX-GFCCVEGCSA-N 1 2 335.835 3.890 50 0 EHAALO Cc1[nH+]c2cc(NC(=O)c3cnoc3-c3ccccc3)ccc2n1C ZINC000095451550 218395711 /nfs/dbraw/zinc/39/57/11/218395711.db2.gz KQVILFZVGNSEGM-UHFFFAOYSA-N 1 2 332.363 3.789 50 0 EHAALO Brc1ccc(C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000055543901 532962815 /nfs/dbraw/zinc/96/28/15/532962815.db2.gz UBSLKJFWAVCWDX-UHFFFAOYSA-N 1 2 337.286 3.833 50 0 EHAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(F)cc1Cl)C2 ZINC000112670307 220369798 /nfs/dbraw/zinc/36/97/98/220369798.db2.gz AQNVKFXFPWGRKC-UHFFFAOYSA-N 1 2 335.810 3.535 50 0 EHAALO C[C@H](CC(=O)NCC1(c2ccccc2F)CCCC1)n1cc[nH+]c1 ZINC000299770931 258083377 /nfs/dbraw/zinc/08/33/77/258083377.db2.gz OBTYOBPIEUFVIG-OAHLLOKOSA-N 1 2 329.419 3.602 50 0 EHAALO Cc1cc(N2CCC[C@@H](c3[nH]c4c(cccc4C)[nH+]3)C2)n2nccc2n1 ZINC000072477839 258064702 /nfs/dbraw/zinc/06/47/02/258064702.db2.gz NAYJMZIIKPDWHV-OAHLLOKOSA-N 1 2 346.438 3.606 50 0 EHAALO Cc1cc(N2CCC[C@@H](c3[nH]c4cccc(C)c4[nH+]3)C2)n2nccc2n1 ZINC000072477839 258064704 /nfs/dbraw/zinc/06/47/04/258064704.db2.gz NAYJMZIIKPDWHV-OAHLLOKOSA-N 1 2 346.438 3.606 50 0 EHAALO Cc1nc2sccn2c1C[N@@H+]1Cc2cc(C)ccc2O[C@@H](C)C1 ZINC000299766064 258080868 /nfs/dbraw/zinc/08/08/68/258080868.db2.gz BIIJLRIZUKSXSN-ZDUSSCGKSA-N 1 2 327.453 3.796 50 0 EHAALO Cc1nc2sccn2c1C[N@H+]1Cc2cc(C)ccc2O[C@@H](C)C1 ZINC000299766064 258080869 /nfs/dbraw/zinc/08/08/69/258080869.db2.gz BIIJLRIZUKSXSN-ZDUSSCGKSA-N 1 2 327.453 3.796 50 0 EHAALO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000035399835 132390100 /nfs/dbraw/zinc/39/01/00/132390100.db2.gz LYLNSAKOOPSRGW-KRWDZBQOSA-N 1 2 347.462 3.870 50 0 EHAALO Cc1cccc(C[N@@H+]2CCN(c3ccc(C)c(F)c3)C(=O)[C@H]2C)c1 ZINC000037519536 132393973 /nfs/dbraw/zinc/39/39/73/132393973.db2.gz FWBKRDBGOULPEH-MRXNPFEDSA-N 1 2 326.415 3.680 50 0 EHAALO Cc1cccc(C[N@H+]2CCN(c3ccc(C)c(F)c3)C(=O)[C@H]2C)c1 ZINC000037519536 132393975 /nfs/dbraw/zinc/39/39/75/132393975.db2.gz FWBKRDBGOULPEH-MRXNPFEDSA-N 1 2 326.415 3.680 50 0 EHAALO C[C@@H](C(=O)N[C@H](Cc1ccccc1)c1cccs1)n1cc[nH+]c1 ZINC000096408541 524235064 /nfs/dbraw/zinc/23/50/64/524235064.db2.gz NNEXVQYQIIBKAB-GOEBONIOSA-N 1 2 325.437 3.606 50 0 EHAALO COc1ccccc1OC1CC[NH+](Cc2cc(C3CC3)on2)CC1 ZINC000244873115 537087739 /nfs/dbraw/zinc/08/77/39/537087739.db2.gz WKJAAHPWOPFCIW-UHFFFAOYSA-N 1 2 328.412 3.604 50 0 EHAALO CCCC[NH2+][C@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl ZINC000028294029 564150905 /nfs/dbraw/zinc/15/09/05/564150905.db2.gz MGTLWPAYMDHKEY-ATWMFIQVSA-N 1 2 349.689 3.902 50 0 EHAALO O=C(CN1c2ccccc2N2CC[NH+]=C12)c1ccc(Cl)cc1Cl ZINC000000116370 563231857 /nfs/dbraw/zinc/23/18/57/563231857.db2.gz KUTDTUUCAULQFJ-UHFFFAOYSA-N 1 2 346.217 3.872 50 0 EHAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccccc1Cl ZINC000000307147 563278024 /nfs/dbraw/zinc/27/80/24/563278024.db2.gz MJJYZLGVACSALK-ZDUSSCGKSA-N 1 2 330.815 3.692 50 0 EHAALO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)o1 ZINC000097373665 563599330 /nfs/dbraw/zinc/59/93/30/563599330.db2.gz IRDHNKDHYZVJMY-RYUDHWBXSA-N 1 2 343.406 3.677 50 0 EHAALO Cc1cc(CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)on1 ZINC000014803982 563765035 /nfs/dbraw/zinc/76/50/35/563765035.db2.gz RYQDJTXFBCVKCX-UHFFFAOYSA-N 1 2 341.371 3.543 50 0 EHAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)NC1CCCC1 ZINC000015548608 563786482 /nfs/dbraw/zinc/78/64/82/563786482.db2.gz RRJQOKSVQTZODP-GOSISDBHSA-N 1 2 346.521 3.816 50 0 EHAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)NC1CCCC1 ZINC000015548608 563786485 /nfs/dbraw/zinc/78/64/85/563786485.db2.gz RRJQOKSVQTZODP-GOSISDBHSA-N 1 2 346.521 3.816 50 0 EHAALO Cc1nnc(Cn2ccc(-c3cccc(-c4cc(C)[nH+]c(C)c4)c3)n2)o1 ZINC000019112187 563853640 /nfs/dbraw/zinc/85/36/40/563853640.db2.gz UMLPBRPJEJUNCA-UHFFFAOYSA-N 1 2 345.406 3.969 50 0 EHAALO COc1ccc(C[N@H+](C)Cn2c3ccccc3n(C)c2=S)cc1F ZINC000024584668 563872929 /nfs/dbraw/zinc/87/29/29/563872929.db2.gz DBNGAIDUUNKBHU-UHFFFAOYSA-N 1 2 345.443 3.946 50 0 EHAALO COc1ccc(C[N@@H+](C)Cn2c3ccccc3n(C)c2=S)cc1F ZINC000024584668 563872932 /nfs/dbraw/zinc/87/29/32/563872932.db2.gz DBNGAIDUUNKBHU-UHFFFAOYSA-N 1 2 345.443 3.946 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1F ZINC000026884900 563893931 /nfs/dbraw/zinc/89/39/31/563893931.db2.gz INIQYVMJCXTEDH-INIZCTEOSA-N 1 2 343.789 3.732 50 0 EHAALO Cc1c2ccc3ccccc3c2oc1C(=O)NCCCn1cc[nH+]c1 ZINC000028201714 563901710 /nfs/dbraw/zinc/90/17/10/563901710.db2.gz DTDKUTAVWAVXFB-UHFFFAOYSA-N 1 2 333.391 3.911 50 0 EHAALO Cc1cccc(N2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)c1 ZINC000058377885 563944284 /nfs/dbraw/zinc/94/42/84/563944284.db2.gz PEGKWRKJDWDFCR-UHFFFAOYSA-N 1 2 332.451 3.503 50 0 EHAALO O=C(c1ccc(Oc2cccnc2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000058379011 563944331 /nfs/dbraw/zinc/94/43/31/563944331.db2.gz IJFISRKBGMCLNW-UHFFFAOYSA-N 1 2 348.406 3.548 50 0 EHAALO C[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432067 563952619 /nfs/dbraw/zinc/95/26/19/563952619.db2.gz VORURECXXYFGHZ-DNVCBOLYSA-N 1 2 347.418 3.616 50 0 EHAALO Cc1[nH]cc(-c2c(-c3ccccc3)ncn2CCc2ccccn2)[nH+]1 ZINC000065396768 563959742 /nfs/dbraw/zinc/95/97/42/563959742.db2.gz RMZZGXMKIDRGDT-UHFFFAOYSA-N 1 2 329.407 3.886 50 0 EHAALO CCc1nc(N2CCc3onc(-c4cccc(F)c4)c3C2)cc(C)[nH+]1 ZINC000067784301 563962724 /nfs/dbraw/zinc/96/27/24/563962724.db2.gz JLSHMIWQXINCPK-UHFFFAOYSA-N 1 2 338.386 3.704 50 0 EHAALO COc1ccc2cc([C@@H]3CN(c4cc[nH+]cc4F)CCO3)ccc2c1 ZINC000071575901 563964547 /nfs/dbraw/zinc/96/45/47/563964547.db2.gz VHCILXNQZYZVJW-FQEVSTJZSA-N 1 2 338.382 3.960 50 0 EHAALO COc1cc(C[NH2+]Cc2cn[nH]c2C)ccc1OCc1ccccc1 ZINC000097139836 563968305 /nfs/dbraw/zinc/96/83/05/563968305.db2.gz CYACKUCUSVZGRP-UHFFFAOYSA-N 1 2 337.423 3.596 50 0 EHAALO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000097164566 563968491 /nfs/dbraw/zinc/96/84/91/563968491.db2.gz MJFXCODHTJPEGC-UHFFFAOYSA-N 1 2 342.230 3.563 50 0 EHAALO Cc1ccc(-n2cnnc2)cc1-n1cc[nH+]c1[C@@H](C)c1ccccc1 ZINC000077457899 563969842 /nfs/dbraw/zinc/96/98/42/563969842.db2.gz OKUDEVIXQVRRTG-INIZCTEOSA-N 1 2 329.407 3.913 50 0 EHAALO O=C(N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1)C1(c2ccccc2)CC1 ZINC000082120480 563972420 /nfs/dbraw/zinc/97/24/20/563972420.db2.gz DFHPJCABBPTYQS-SFHVURJKSA-N 1 2 349.478 3.731 50 0 EHAALO Clc1cc2cccnc2c(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000097199892 563973245 /nfs/dbraw/zinc/97/32/45/563973245.db2.gz JIHNRTZKSNAUJN-OAHLLOKOSA-N 1 2 345.855 3.918 50 0 EHAALO Clc1cc2cccnc2c(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000097199892 563973246 /nfs/dbraw/zinc/97/32/46/563973246.db2.gz JIHNRTZKSNAUJN-OAHLLOKOSA-N 1 2 345.855 3.918 50 0 EHAALO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000126423183 563973451 /nfs/dbraw/zinc/97/34/51/563973451.db2.gz TWAMYWKSMZHBCE-CABZTGNLSA-N 1 2 342.226 3.899 50 0 EHAALO Cc1nnc([C@H](C)[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000126423183 563973452 /nfs/dbraw/zinc/97/34/52/563973452.db2.gz TWAMYWKSMZHBCE-CABZTGNLSA-N 1 2 342.226 3.899 50 0 EHAALO CC(C)(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000060046734 563973485 /nfs/dbraw/zinc/97/34/85/563973485.db2.gz VAIPTLVQIFSKFH-UHFFFAOYSA-N 1 2 337.398 3.605 50 0 EHAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1Nc1cccc(O)c1 ZINC000000071589 563974363 /nfs/dbraw/zinc/97/43/63/563974363.db2.gz ROMZYUWYJGLRKO-UHFFFAOYSA-N 1 2 338.363 3.869 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000328586272 563983970 /nfs/dbraw/zinc/98/39/70/563983970.db2.gz NDZVITNYCDSMCI-KGLIPLIRSA-N 1 2 325.403 3.782 50 0 EHAALO CSc1cccc(NC(=S)N2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000000221214 563988846 /nfs/dbraw/zinc/98/88/46/563988846.db2.gz RZXCAKAQBYIMBT-UHFFFAOYSA-N 1 2 343.521 3.881 50 0 EHAALO CSc1cccc(NC(=S)N2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000000221214 563988847 /nfs/dbraw/zinc/98/88/47/563988847.db2.gz RZXCAKAQBYIMBT-UHFFFAOYSA-N 1 2 343.521 3.881 50 0 EHAALO CCC(CC)C(=O)Nc1ccc(Nc2nc(N(C)C)cc(C)[nH+]2)cc1 ZINC000017268964 564011523 /nfs/dbraw/zinc/01/15/23/564011523.db2.gz FCTIEBMFJMJGCU-UHFFFAOYSA-N 1 2 341.459 3.969 50 0 EHAALO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cccc(Cl)c1 ZINC000047417481 564026272 /nfs/dbraw/zinc/02/62/72/564026272.db2.gz FWVBUELPRUIQTK-UHFFFAOYSA-N 1 2 329.831 3.655 50 0 EHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1c(F)cccc1F ZINC000048939235 564032363 /nfs/dbraw/zinc/03/23/63/564032363.db2.gz SBSPRPBMDQNEDZ-UHFFFAOYSA-N 1 2 345.393 3.670 50 0 EHAALO CCC[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1[nH+]ccn1C ZINC000220436291 564035896 /nfs/dbraw/zinc/03/58/96/564035896.db2.gz BRHAQAYGJMCEQY-SFHVURJKSA-N 1 2 338.455 3.882 50 0 EHAALO CSc1cccc(C)c1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000239807486 564051704 /nfs/dbraw/zinc/05/17/04/564051704.db2.gz CSIKCWKHHVWWHV-UHFFFAOYSA-N 1 2 330.457 3.852 50 0 EHAALO CSc1cccc(C)c1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000239807486 564051705 /nfs/dbraw/zinc/05/17/05/564051705.db2.gz CSIKCWKHHVWWHV-UHFFFAOYSA-N 1 2 330.457 3.852 50 0 EHAALO Cc1ccc(O[C@H](C)C(=O)N[C@@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000012529367 564058182 /nfs/dbraw/zinc/05/81/82/564058182.db2.gz CMDBWKADAXLMMA-APWZRJJASA-N 1 2 349.434 3.586 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(Cl)c1)c1cccc(F)c1 ZINC000012558972 564059422 /nfs/dbraw/zinc/05/94/22/564059422.db2.gz ISQPKEAZQUNSNE-MRXNPFEDSA-N 1 2 343.789 3.732 50 0 EHAALO Fc1ccccc1N1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000012564523 564059691 /nfs/dbraw/zinc/05/96/91/564059691.db2.gz WFUVLALCTXTNBN-UHFFFAOYSA-N 1 2 337.398 3.803 50 0 EHAALO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC(=O)Nc1nccs1 ZINC000120950835 564060621 /nfs/dbraw/zinc/06/06/21/564060621.db2.gz DIGOPXDLDJDXRK-NSHDSACASA-N 1 2 338.502 3.663 50 0 EHAALO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC(=O)Nc1nccs1 ZINC000120950835 564060622 /nfs/dbraw/zinc/06/06/22/564060622.db2.gz DIGOPXDLDJDXRK-NSHDSACASA-N 1 2 338.502 3.663 50 0 EHAALO C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000083992636 564065666 /nfs/dbraw/zinc/06/56/66/564065666.db2.gz NGRZBWFZWUONSB-GFCCVEGCSA-N 1 2 334.828 3.664 50 0 EHAALO O=c1nc(C[NH+]2CCCC2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000016445319 564086923 /nfs/dbraw/zinc/08/69/23/564086923.db2.gz HADSACHQFYLGCJ-UHFFFAOYSA-N 1 2 345.855 3.901 50 0 EHAALO OC1CCN(c2[nH+]cccc2NCc2cc3ccccc3s2)CC1 ZINC000091064583 564087260 /nfs/dbraw/zinc/08/72/60/564087260.db2.gz KJDPONFEUWJRFJ-UHFFFAOYSA-N 1 2 339.464 3.870 50 0 EHAALO COC(=O)c1cc(Nc2ccc([NH+](C)C)cc2)c2cc(F)ccc2n1 ZINC000065033605 564099920 /nfs/dbraw/zinc/09/99/20/564099920.db2.gz UHGUHQQMFUIGNB-UHFFFAOYSA-N 1 2 339.370 3.970 50 0 EHAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc(SC(F)F)cc1 ZINC000006880828 564100548 /nfs/dbraw/zinc/10/05/48/564100548.db2.gz MCFFXHNCQQZTLR-UHFFFAOYSA-N 1 2 348.418 3.998 50 0 EHAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(SC(F)F)cc1 ZINC000006880828 564100549 /nfs/dbraw/zinc/10/05/49/564100549.db2.gz MCFFXHNCQQZTLR-UHFFFAOYSA-N 1 2 348.418 3.998 50 0 EHAALO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)n2)cc1 ZINC000065592843 564107992 /nfs/dbraw/zinc/10/79/92/564107992.db2.gz LVZJWXWMPLLYMM-QGZVFWFLSA-N 1 2 338.411 3.801 50 0 EHAALO CCOc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)n2)cc1 ZINC000065592843 564107993 /nfs/dbraw/zinc/10/79/93/564107993.db2.gz LVZJWXWMPLLYMM-QGZVFWFLSA-N 1 2 338.411 3.801 50 0 EHAALO CCN(C(=O)Cc1ccc(NCc2[nH]cc[nH+]2)cc1)c1ccccc1 ZINC000089969510 564115970 /nfs/dbraw/zinc/11/59/70/564115970.db2.gz OEJBJTSIYSFCKE-UHFFFAOYSA-N 1 2 334.423 3.617 50 0 EHAALO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000252499873 564119723 /nfs/dbraw/zinc/11/97/23/564119723.db2.gz SHOSBJJXBQDGEO-UHFFFAOYSA-N 1 2 331.435 3.789 50 0 EHAALO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCOc2ccc(F)cc2C1 ZINC000252499873 564119724 /nfs/dbraw/zinc/11/97/24/564119724.db2.gz SHOSBJJXBQDGEO-UHFFFAOYSA-N 1 2 331.435 3.789 50 0 EHAALO C[N@@H+]1CCN(C(=O)c2cnc(C(C)(C)C)s2)[C@H](c2ccccc2)C1 ZINC000067477737 564121203 /nfs/dbraw/zinc/12/12/03/564121203.db2.gz IBMIMUWIUFLEAP-HNNXBMFYSA-N 1 2 343.496 3.570 50 0 EHAALO C[N@H+]1CCN(C(=O)c2cnc(C(C)(C)C)s2)[C@H](c2ccccc2)C1 ZINC000067477737 564121204 /nfs/dbraw/zinc/12/12/04/564121204.db2.gz IBMIMUWIUFLEAP-HNNXBMFYSA-N 1 2 343.496 3.570 50 0 EHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc3ncsc3c2)c1C ZINC000194999270 564122648 /nfs/dbraw/zinc/12/26/48/564122648.db2.gz CNFBRRYOEUFOSM-UHFFFAOYSA-N 1 2 341.436 3.589 50 0 EHAALO Cc1nc(CC(C)C)c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000253427760 564131250 /nfs/dbraw/zinc/13/12/50/564131250.db2.gz DSIOUUQFHHMWOY-UHFFFAOYSA-N 1 2 347.488 3.785 50 0 EHAALO Cc1nc(CC(C)C)c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000253427760 564131251 /nfs/dbraw/zinc/13/12/51/564131251.db2.gz DSIOUUQFHHMWOY-UHFFFAOYSA-N 1 2 347.488 3.785 50 0 EHAALO FC(F)(F)Oc1ccc(CC[NH2+]c2ccc(-n3cncn3)cc2)cc1 ZINC000095464733 564140965 /nfs/dbraw/zinc/14/09/65/564140965.db2.gz SILMRKWESCODDC-UHFFFAOYSA-N 1 2 348.328 3.821 50 0 EHAALO COc1cc2cc[nH+]cc2cc1OCC(=O)Nc1ccc(F)c(F)c1 ZINC000095467722 564141132 /nfs/dbraw/zinc/14/11/32/564141132.db2.gz ZKNKXLFGRNDZNJ-UHFFFAOYSA-N 1 2 344.317 3.539 50 0 EHAALO CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1C ZINC000095949299 564142328 /nfs/dbraw/zinc/14/23/28/564142328.db2.gz YKOHONIDQWISNP-UHFFFAOYSA-N 1 2 348.450 3.976 50 0 EHAALO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccc2c(c1)NC(=O)CO2 ZINC000095984466 564143865 /nfs/dbraw/zinc/14/38/65/564143865.db2.gz ZORKCDVAGVQZMM-ZDUSSCGKSA-N 1 2 349.390 3.523 50 0 EHAALO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000057568030 564154987 /nfs/dbraw/zinc/15/49/87/564154987.db2.gz ARVQIPNBNKWKBB-ZMZPIMSZSA-N 1 2 348.368 3.774 50 0 EHAALO Cc1ccc2[nH+]c(CSc3nc(-c4ccccc4)cn3N)cn2c1 ZINC000008461547 564165355 /nfs/dbraw/zinc/16/53/55/564165355.db2.gz JZMGYRAQSQIKJB-UHFFFAOYSA-N 1 2 335.436 3.512 50 0 EHAALO C/C(=C/C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000071817218 564175609 /nfs/dbraw/zinc/17/56/09/564175609.db2.gz QGVROGBEFNWBIZ-UWTOJAOBSA-N 1 2 346.474 3.948 50 0 EHAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1C(F)(F)F ZINC000025011141 568418372 /nfs/dbraw/zinc/41/83/72/568418372.db2.gz JNQPPZNJOHXCFW-UHFFFAOYSA-N 1 2 332.285 3.538 50 0 EHAALO Cc1[nH]c2ccccc2c1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000329875827 1024231340 /nfs/dbraw/zinc/23/13/40/1024231340.db2.gz HBENWSPBJPCJCN-UHFFFAOYSA-N 1 2 336.439 3.538 50 0 EHAALO CC(C)c1nc(C2([NH2+]C[C@H](O)c3cccc(Cl)c3)CCCC2)no1 ZINC000174173365 1033777261 /nfs/dbraw/zinc/77/72/61/1033777261.db2.gz ZDPFCRGDNJDDFT-HNNXBMFYSA-N 1 2 349.862 3.939 50 0 EHAALO O=C(/C=C\c1cccs1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000060391749 1034467112 /nfs/dbraw/zinc/46/71/12/1034467112.db2.gz UGGYTTRVSNBPIG-CZEHHVHDSA-N 1 2 338.476 3.619 50 0 EHAALO Cc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)s1 ZINC000014070472 1038211601 /nfs/dbraw/zinc/21/16/01/1038211601.db2.gz FEHXTNHEMQFCGT-RMKNXTFCSA-N 1 2 340.492 3.836 50 0 EHAALO O=C(/C=C/c1cccs1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033409507 1122691537 /nfs/dbraw/zinc/69/15/37/1122691537.db2.gz UGGYTTRVSNBPIG-VCDHSJCMSA-N 1 2 338.476 3.619 50 0 EHAALO Cc1c[nH+]c(C2CN(C(=O)c3cccc(C)c3)C2)n1Cc1ccccc1 ZINC000581812750 1132366138 /nfs/dbraw/zinc/36/61/38/1132366138.db2.gz JLTRTVDJHSGPCY-UHFFFAOYSA-N 1 2 345.446 3.788 50 0 EHAALO Cc1c[nH+]c(C2CN(C(=O)Nc3ccccc3)C2)n1Cc1ccccc1 ZINC000581812596 1132366548 /nfs/dbraw/zinc/36/65/48/1132366548.db2.gz BOZGIVNABZYNTP-UHFFFAOYSA-N 1 2 346.434 3.871 50 0 EHAALO C[C@H](c1ccccn1)[N@H+](C)Cc1cnc(SC(F)(F)F)n1C ZINC000585117247 1137008284 /nfs/dbraw/zinc/00/82/84/1137008284.db2.gz WBSKMTZORAOIAU-SNVBAGLBSA-N 1 2 330.379 3.620 50 0 EHAALO C[C@H](c1ccccn1)[N@@H+](C)Cc1cnc(SC(F)(F)F)n1C ZINC000585117247 1137008285 /nfs/dbraw/zinc/00/82/85/1137008285.db2.gz WBSKMTZORAOIAU-SNVBAGLBSA-N 1 2 330.379 3.620 50 0 EHAALO O=C(Cc1c(Cl)cccc1Cl)OCCNc1cccc[nH+]1 ZINC000952876749 1137483212 /nfs/dbraw/zinc/48/32/12/1137483212.db2.gz VYYCAPYSQBJMHR-UHFFFAOYSA-N 1 2 325.195 3.586 50 0 EHAALO O=C(C[N@@H+]1CCc2sccc2C1)N1CCC[C@H]1c1ccsc1 ZINC000052432755 214128153 /nfs/dbraw/zinc/12/81/53/214128153.db2.gz TYBVZVQNRJJPGQ-HNNXBMFYSA-N 1 2 332.494 3.531 50 0 EHAALO O=C(C[N@H+]1CCc2sccc2C1)N1CCC[C@H]1c1ccsc1 ZINC000052432755 214128158 /nfs/dbraw/zinc/12/81/58/214128158.db2.gz TYBVZVQNRJJPGQ-HNNXBMFYSA-N 1 2 332.494 3.531 50 0 EHAALO CCC(CC)n1nc(C)cc1NC(=O)Cc1c[nH+]c2c(C)cccn12 ZINC000055270280 214298604 /nfs/dbraw/zinc/29/86/04/214298604.db2.gz LPTWJBBQBPFAKC-UHFFFAOYSA-N 1 2 339.443 3.690 50 0 EHAALO Cc1ccc(O)c(C[N@H+](Cc2nccs2)Cc2ccccc2)n1 ZINC000055393078 214317366 /nfs/dbraw/zinc/31/73/66/214317366.db2.gz PODHXMZBBQEHRJ-UHFFFAOYSA-N 1 2 325.437 3.755 50 0 EHAALO Cc1ccc(O)c(C[N@@H+](Cc2nccs2)Cc2ccccc2)n1 ZINC000055393078 214317368 /nfs/dbraw/zinc/31/73/68/214317368.db2.gz PODHXMZBBQEHRJ-UHFFFAOYSA-N 1 2 325.437 3.755 50 0 EHAALO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000003356217 210016340 /nfs/dbraw/zinc/01/63/40/210016340.db2.gz ACRVAKDKIROJJL-GFCCVEGCSA-N 1 2 325.250 3.652 50 0 EHAALO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Br ZINC000003356217 210016344 /nfs/dbraw/zinc/01/63/44/210016344.db2.gz ACRVAKDKIROJJL-GFCCVEGCSA-N 1 2 325.250 3.652 50 0 EHAALO CCOc1cc(-c2[nH+]ccn2CCCc2c(C)noc2C)ccc1O ZINC000067894300 215242010 /nfs/dbraw/zinc/24/20/10/215242010.db2.gz HSEDKNAVXMBMMD-UHFFFAOYSA-N 1 2 341.411 3.892 50 0 EHAALO Cn1ncc2c1nc[nH+]c2NCCOc1ccccc1-c1ccccc1 ZINC000068997321 215351511 /nfs/dbraw/zinc/35/15/11/215351511.db2.gz MYBGWOYTRFIBEX-UHFFFAOYSA-N 1 2 345.406 3.521 50 0 EHAALO Cc1cc2[nH+]cn(CC(=O)N[C@@H](C)c3ccc(F)cc3F)c2cc1C ZINC000040047149 213253904 /nfs/dbraw/zinc/25/39/04/213253904.db2.gz YWZQXUOIRYTWFT-ZDUSSCGKSA-N 1 2 343.377 3.809 50 0 EHAALO Cc1cc(C)cc(N2CC[N@H+](Cc3ccc4ncccc4c3)CC2=O)c1 ZINC000072169204 216060428 /nfs/dbraw/zinc/06/04/28/216060428.db2.gz WLSJBWOIDSRLDA-UHFFFAOYSA-N 1 2 345.446 3.700 50 0 EHAALO Cc1cc(C)cc(N2CC[N@@H+](Cc3ccc4ncccc4c3)CC2=O)c1 ZINC000072169204 216060431 /nfs/dbraw/zinc/06/04/31/216060431.db2.gz WLSJBWOIDSRLDA-UHFFFAOYSA-N 1 2 345.446 3.700 50 0 EHAALO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1nccn1Cc1ccccc1 ZINC000072253569 216084015 /nfs/dbraw/zinc/08/40/15/216084015.db2.gz BGFDOZJNEXMXKA-IBGZPJMESA-N 1 2 349.482 3.619 50 0 EHAALO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1nccn1Cc1ccccc1 ZINC000072253569 216084017 /nfs/dbraw/zinc/08/40/17/216084017.db2.gz BGFDOZJNEXMXKA-IBGZPJMESA-N 1 2 349.482 3.619 50 0 EHAALO CCCCc1ncc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)[nH]1 ZINC000023619556 212386371 /nfs/dbraw/zinc/38/63/71/212386371.db2.gz IBQYWMHVVKLVOE-QGZVFWFLSA-N 1 2 330.451 3.968 50 0 EHAALO CCCCc1ncc(C[N@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)[nH]1 ZINC000023619556 212386374 /nfs/dbraw/zinc/38/63/74/212386374.db2.gz IBQYWMHVVKLVOE-QGZVFWFLSA-N 1 2 330.451 3.968 50 0 EHAALO COc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1F ZINC000022289860 212289131 /nfs/dbraw/zinc/28/91/31/212289131.db2.gz XIUGITNMCCGEEF-UHFFFAOYSA-N 1 2 349.431 3.529 50 0 EHAALO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000022228009 212282769 /nfs/dbraw/zinc/28/27/69/212282769.db2.gz XFHZKPZIRWGAGR-HLIPFELVSA-N 1 2 338.451 3.784 50 0 EHAALO CCOc1ccccc1N1CC[NH+](Cc2csc(C(C)=O)c2)CC1 ZINC000215171347 241111140 /nfs/dbraw/zinc/11/11/40/241111140.db2.gz RDYDTQKUXNGFHE-UHFFFAOYSA-N 1 2 344.480 3.672 50 0 EHAALO COc1cc2c(cc1C[N@@H+]1CC[C@H]1c1ccc(F)cc1)OCCCO2 ZINC000215522526 241131788 /nfs/dbraw/zinc/13/17/88/241131788.db2.gz BGRXJWBMMXTRGM-KRWDZBQOSA-N 1 2 343.398 3.943 50 0 EHAALO COc1cc2c(cc1C[N@H+]1CC[C@H]1c1ccc(F)cc1)OCCCO2 ZINC000215522526 241131793 /nfs/dbraw/zinc/13/17/93/241131793.db2.gz BGRXJWBMMXTRGM-KRWDZBQOSA-N 1 2 343.398 3.943 50 0 EHAALO O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(c2ccc(Cl)cc2)CCC1 ZINC000075552350 216635027 /nfs/dbraw/zinc/63/50/27/216635027.db2.gz PSSYIMDACIOLIT-CQSZACIVSA-N 1 2 343.858 3.891 50 0 EHAALO COc1cccc([C@@H]([NH2+][C@H](C)c2nccnc2C)c2ccccn2)c1 ZINC000242302319 243017127 /nfs/dbraw/zinc/01/71/27/243017127.db2.gz YRKWUEYPRHLTBV-FOIQADDNSA-N 1 2 334.423 3.629 50 0 EHAALO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000020357440 212122098 /nfs/dbraw/zinc/12/20/98/212122098.db2.gz TTWPAJSKHPHSRX-UHFFFAOYSA-N 1 2 328.843 3.606 50 0 EHAALO CCCCn1c2ccccc2n(CCOc2ccc(OC)cc2)c1=[NH2+] ZINC000019907687 212081563 /nfs/dbraw/zinc/08/15/63/212081563.db2.gz CFCCFOPQWGRWGD-UHFFFAOYSA-N 1 2 339.439 3.810 50 0 EHAALO CCc1nc(CCn2cc[nH+]c2-c2ccc3c(c2)OCCO3)cs1 ZINC000077523601 216927812 /nfs/dbraw/zinc/92/78/12/216927812.db2.gz FSRLWCKUIBGXJW-UHFFFAOYSA-N 1 2 341.436 3.583 50 0 EHAALO C[C@H]1CCCCN1C(=O)c1ccc(NCc2[nH+]ccn2C)cc1Cl ZINC000095411967 218349298 /nfs/dbraw/zinc/34/92/98/218349298.db2.gz OVGSBYHAADLWOY-ZDUSSCGKSA-N 1 2 346.862 3.700 50 0 EHAALO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(F)cc1OC(F)F ZINC000095423566 218366156 /nfs/dbraw/zinc/36/61/56/218366156.db2.gz MNLXOUUHXHLSDK-VIFPVBQESA-N 1 2 345.390 3.800 50 0 EHAALO O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000095427137 218368978 /nfs/dbraw/zinc/36/89/78/218368978.db2.gz ZPPRARKJJANNCE-JKSUJKDBSA-N 1 2 346.475 3.528 50 0 EHAALO Cc1cccc2[nH+]c(C[S@@](=O)Cc3ccccc3OC(C)C)cn21 ZINC000095440958 218385405 /nfs/dbraw/zinc/38/54/05/218385405.db2.gz OEUWKEYSBQFPDV-XMMPIXPASA-N 1 2 342.464 3.879 50 0 EHAALO O=C(N[C@@H]1CCc2[nH+]ccn2C1)c1ccc(-c2ccccc2Cl)o1 ZINC000097197388 218984359 /nfs/dbraw/zinc/98/43/59/218984359.db2.gz SSUYWYCBONIYMW-GFCCVEGCSA-N 1 2 341.798 3.541 50 0 EHAALO O=C(NCc1cc(-c2ccccc2)on1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097360160 219015024 /nfs/dbraw/zinc/01/50/24/219015024.db2.gz RNKYAKJHLDBKBX-UHFFFAOYSA-N 1 2 344.374 3.662 50 0 EHAALO CCn1cc[nH+]c1CN(C)C(=O)Nc1ccc(C(F)(F)F)c(F)c1 ZINC000299800269 258103539 /nfs/dbraw/zinc/10/35/39/258103539.db2.gz WISVLDUYRDJKPW-UHFFFAOYSA-N 1 2 344.312 3.725 50 0 EHAALO Fc1ccc(N2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000057435575 132200690 /nfs/dbraw/zinc/20/06/90/132200690.db2.gz ABBYRMAXYZPEIM-UHFFFAOYSA-N 1 2 337.398 3.803 50 0 EHAALO COc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccc(F)cc2)cc1 ZINC000000426507 563310659 /nfs/dbraw/zinc/31/06/59/563310659.db2.gz JMOPBBZZODKSDJ-UHFFFAOYSA-N 1 2 349.369 3.575 50 0 EHAALO C[C@H](C(=O)Nc1ccc(F)cc1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000012938762 563677724 /nfs/dbraw/zinc/67/77/24/563677724.db2.gz KEAWDAYPEAUKGT-GFCCVEGCSA-N 1 2 343.427 3.894 50 0 EHAALO C[C@H](C(=O)Nc1ccc(F)cc1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000012938762 563677726 /nfs/dbraw/zinc/67/77/26/563677726.db2.gz KEAWDAYPEAUKGT-GFCCVEGCSA-N 1 2 343.427 3.894 50 0 EHAALO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1cc(-c2ccccc2)on1 ZINC000032764966 563729590 /nfs/dbraw/zinc/72/95/90/563729590.db2.gz LLNNGTKCURGKDS-AWEZNQCLSA-N 1 2 348.406 3.532 50 0 EHAALO COc1ccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000024050421 563868812 /nfs/dbraw/zinc/86/88/12/563868812.db2.gz YYKBSDPJMFYLKL-ZDUSSCGKSA-N 1 2 339.370 3.511 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccccc1Cl ZINC000032951022 563891132 /nfs/dbraw/zinc/89/11/32/563891132.db2.gz PMEISUGVMXMTJM-UHFFFAOYSA-N 1 2 328.803 3.820 50 0 EHAALO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)sc1C ZINC000029080707 563904909 /nfs/dbraw/zinc/90/49/09/563904909.db2.gz DQQCRLIGAGJBQA-MRXNPFEDSA-N 1 2 343.427 3.757 50 0 EHAALO S=C(NCCc1c[nH+]c[nH]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000032523697 563913827 /nfs/dbraw/zinc/91/38/27/563913827.db2.gz GFLRJYIWXNYJOU-UHFFFAOYSA-N 1 2 338.436 3.731 50 0 EHAALO S=C(NCCc1c[nH]c[nH+]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000032523697 563913828 /nfs/dbraw/zinc/91/38/28/563913828.db2.gz GFLRJYIWXNYJOU-UHFFFAOYSA-N 1 2 338.436 3.731 50 0 EHAALO COc1ccc(-c2nnc(COc3ccccc3-n3cc[nH+]c3)o2)cc1 ZINC000072311097 563918264 /nfs/dbraw/zinc/91/82/64/563918264.db2.gz ASXOZYBCYCITMW-UHFFFAOYSA-N 1 2 348.362 3.510 50 0 EHAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1F ZINC000043210861 563925390 /nfs/dbraw/zinc/92/53/90/563925390.db2.gz AHXYGRDYAQKLEO-UHFFFAOYSA-N 1 2 333.790 3.542 50 0 EHAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000058157325 563937948 /nfs/dbraw/zinc/93/79/48/563937948.db2.gz GHWJIUPQBJOLCV-OAHLLOKOSA-N 1 2 345.443 3.721 50 0 EHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)c1 ZINC000058157325 563937950 /nfs/dbraw/zinc/93/79/50/563937950.db2.gz GHWJIUPQBJOLCV-OAHLLOKOSA-N 1 2 345.443 3.721 50 0 EHAALO O=C(CCCc1ccccc1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000060225039 563949739 /nfs/dbraw/zinc/94/97/39/563949739.db2.gz XSVSEAWGRZRNFT-LJQANCHMSA-N 1 2 325.456 3.677 50 0 EHAALO Cc1ccc(CN(Cc2[nH]cc[nH+]2)Cc2ccc3c(c2)OCO3)cc1 ZINC000063870268 563956384 /nfs/dbraw/zinc/95/63/84/563956384.db2.gz ACPQYENQLLEQLV-UHFFFAOYSA-N 1 2 335.407 3.649 50 0 EHAALO Cc1c[nH+]ccc1Cn1cnc(-c2ccccc2)c1CCn1cccn1 ZINC000065406299 563960102 /nfs/dbraw/zinc/96/01/02/563960102.db2.gz VUMBKVZSYCAIPB-UHFFFAOYSA-N 1 2 343.434 3.741 50 0 EHAALO Cc1cnccc1Cn1c[nH+]c(-c2ccccc2)c1CCn1cccn1 ZINC000065406299 563960103 /nfs/dbraw/zinc/96/01/03/563960103.db2.gz VUMBKVZSYCAIPB-UHFFFAOYSA-N 1 2 343.434 3.741 50 0 EHAALO C[C@H](c1ccc(-c2coc3ccccc3c2=O)cc1)[NH+]1CCOCC1 ZINC000065406982 563960325 /nfs/dbraw/zinc/96/03/25/563960325.db2.gz JQPLDPFEMAKSNK-OAHLLOKOSA-N 1 2 335.403 3.853 50 0 EHAALO O=C(Nc1ccc(F)cc1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000033070955 563963370 /nfs/dbraw/zinc/96/33/70/563963370.db2.gz UJGPMXZVGJUHEZ-UHFFFAOYSA-N 1 2 338.386 3.557 50 0 EHAALO COc1ccc2cc([C@H]3CN(c4nc(C)[nH+]cc4C)CCO3)ccc2c1 ZINC000071760118 563965379 /nfs/dbraw/zinc/96/53/79/563965379.db2.gz AKCNIPPUCOYEQE-HXUWFJFHSA-N 1 2 349.434 3.833 50 0 EHAALO CC(C)Cn1c[nH+]cc1CN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071764116 563965471 /nfs/dbraw/zinc/96/54/71/563965471.db2.gz VCCXHFVYOYNSBZ-GOSISDBHSA-N 1 2 333.863 3.766 50 0 EHAALO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1c(Cl)ccc(O)c1Cl ZINC000077425612 563969600 /nfs/dbraw/zinc/96/96/00/563969600.db2.gz LHMDXDZFRBBGBZ-LBPRGKRZSA-N 1 2 345.270 3.580 50 0 EHAALO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1c(Cl)ccc(O)c1Cl ZINC000077425612 563969601 /nfs/dbraw/zinc/96/96/01/563969601.db2.gz LHMDXDZFRBBGBZ-LBPRGKRZSA-N 1 2 345.270 3.580 50 0 EHAALO COc1cc(-c2nccn2Cc2c[nH+]c(C)cc2C)c(Cl)cc1O ZINC000077375879 563969231 /nfs/dbraw/zinc/96/92/31/563969231.db2.gz CSROLARJONCNBO-UHFFFAOYSA-N 1 2 343.814 3.978 50 0 EHAALO Clc1ccccc1-c1cc(Cn2cc[nH+]c2[C@H]2CCOC2)no1 ZINC000077378835 563969301 /nfs/dbraw/zinc/96/93/01/563969301.db2.gz OXKOETBGJPRLFP-LBPRGKRZSA-N 1 2 329.787 3.744 50 0 EHAALO CN(Cc1cccc2cnccc21)C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000077385276 563969347 /nfs/dbraw/zinc/96/93/47/563969347.db2.gz WEHKLHYWWBCWCV-UHFFFAOYSA-N 1 2 342.402 3.897 50 0 EHAALO O=C1C[C@H](n2cc[nH+]c2-c2cccnc2)CN1c1ccccc1Cl ZINC000082096506 563972144 /nfs/dbraw/zinc/97/21/44/563972144.db2.gz AXRPDGYIFVARJU-AWEZNQCLSA-N 1 2 338.798 3.577 50 0 EHAALO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000082106798 563972248 /nfs/dbraw/zinc/97/22/48/563972248.db2.gz WFUUDZNVYAIJIP-IBGZPJMESA-N 1 2 333.435 3.522 50 0 EHAALO O=c1cc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)[nH]c2ccc(F)cc12 ZINC000091321362 563975263 /nfs/dbraw/zinc/97/52/63/563975263.db2.gz RWUGMFUZTSKHGZ-SFHVURJKSA-N 1 2 326.346 3.753 50 0 EHAALO O=c1cc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)[nH]c2ccc(F)cc12 ZINC000091321362 563975264 /nfs/dbraw/zinc/97/52/64/563975264.db2.gz RWUGMFUZTSKHGZ-SFHVURJKSA-N 1 2 326.346 3.753 50 0 EHAALO COc1cccc2c1OC[C@@H](Cc1ccc(Cn3cc[nH+]c3)cc1)C2 ZINC000095504465 563977108 /nfs/dbraw/zinc/97/71/08/563977108.db2.gz SRKLFMDTKPQGPR-SFHVURJKSA-N 1 2 334.419 3.734 50 0 EHAALO CCn1c(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)nc2ccccc21 ZINC000095506435 563977125 /nfs/dbraw/zinc/97/71/25/563977125.db2.gz MTERFKAMAPWHLT-UHFFFAOYSA-N 1 2 337.427 3.698 50 0 EHAALO O=C([C@H]1CCc2ccccc21)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095523729 563977428 /nfs/dbraw/zinc/97/74/28/563977428.db2.gz ZSWHYROSRDJCSW-FQEVSTJZSA-N 1 2 349.478 3.729 50 0 EHAALO Cc1nc2c(s1)CCC[C@H]2NC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000096152245 563979691 /nfs/dbraw/zinc/97/96/91/563979691.db2.gz UAFQHLCUCXWIRI-CYBMUJFWSA-N 1 2 341.440 3.835 50 0 EHAALO O=C(c1ccc(-c2ccccc2C[NH+]2CCOCC2)c(F)c1)C1CC1 ZINC000096163250 563979903 /nfs/dbraw/zinc/97/99/03/563979903.db2.gz HKNBZVKILLMRTB-UHFFFAOYSA-N 1 2 339.410 3.918 50 0 EHAALO C[C@H](c1cccs1)[N@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000014137759 563983294 /nfs/dbraw/zinc/98/32/94/563983294.db2.gz GPOYPPJRNAWBEV-SNVBAGLBSA-N 1 2 333.844 3.831 50 0 EHAALO C[C@H](c1cccs1)[N@@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000014137759 563983295 /nfs/dbraw/zinc/98/32/95/563983295.db2.gz GPOYPPJRNAWBEV-SNVBAGLBSA-N 1 2 333.844 3.831 50 0 EHAALO Clc1cccc([C@@H]([NH2+]Cc2cn3cccnc3n2)c2ccccn2)c1 ZINC000133755051 563996506 /nfs/dbraw/zinc/99/65/06/563996506.db2.gz WPBCBUMVZWKTSI-GOSISDBHSA-N 1 2 349.825 3.657 50 0 EHAALO COCc1noc([C@@H](C)[N@H+](C)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000181561366 564019517 /nfs/dbraw/zinc/01/95/17/564019517.db2.gz ZRSJYJZYFIIYIM-SECBINFHSA-N 1 2 330.215 3.716 50 0 EHAALO COCc1noc([C@@H](C)[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000181561366 564019518 /nfs/dbraw/zinc/01/95/18/564019518.db2.gz ZRSJYJZYFIIYIM-SECBINFHSA-N 1 2 330.215 3.716 50 0 EHAALO CN(C)c1cc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc[nH+]1 ZINC000048290345 564030574 /nfs/dbraw/zinc/03/05/74/564030574.db2.gz VJIMCSAKAOBSPT-UHFFFAOYSA-N 1 2 339.226 3.776 50 0 EHAALO COc1cccc([C@H](NC(=O)c2ccc(C)c(C)c2)c2[nH+]ccn2C)c1 ZINC000048324109 564030907 /nfs/dbraw/zinc/03/09/07/564030907.db2.gz BYNOWDYWQGZBOJ-IBGZPJMESA-N 1 2 349.434 3.565 50 0 EHAALO O=C(N1CCC(Cn2cc[nH+]c2)CC1)C1(c2cccs2)CCCC1 ZINC000049026482 564032417 /nfs/dbraw/zinc/03/24/17/564032417.db2.gz XGUGGNMAULHLPG-UHFFFAOYSA-N 1 2 343.496 3.695 50 0 EHAALO O=C(N1CCC[C@H](c2ccc(Cl)cc2)C1)C1(Cn2cc[nH+]c2)CC1 ZINC000223931064 564041167 /nfs/dbraw/zinc/04/11/67/564041167.db2.gz YSMYUNLNNJYPNO-INIZCTEOSA-N 1 2 343.858 3.723 50 0 EHAALO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000225604610 564048286 /nfs/dbraw/zinc/04/82/86/564048286.db2.gz LTZSMDRPZOJXMP-NEPJUHHUSA-N 1 2 331.378 3.956 50 0 EHAALO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000252480634 564053382 /nfs/dbraw/zinc/05/33/82/564053382.db2.gz CBRAMZCZJQHCSU-HNNXBMFYSA-N 1 2 330.403 3.762 50 0 EHAALO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000252480634 564053383 /nfs/dbraw/zinc/05/33/83/564053383.db2.gz CBRAMZCZJQHCSU-HNNXBMFYSA-N 1 2 330.403 3.762 50 0 EHAALO Cc1cccc(CC(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082138505 564056291 /nfs/dbraw/zinc/05/62/91/564056291.db2.gz GXWZSOQTWQUWIW-LJQANCHMSA-N 1 2 337.467 3.550 50 0 EHAALO O=C(N[C@H](C1CCCC1)C(F)(F)F)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000127527443 564063758 /nfs/dbraw/zinc/06/37/58/564063758.db2.gz QYSQJALRYYERAG-CHWSQXEVSA-N 1 2 344.381 3.767 50 0 EHAALO Cc1[nH]c2ccc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)cc2c1C ZINC000083996566 564065757 /nfs/dbraw/zinc/06/57/57/564065757.db2.gz RQFRYKRMUYZBQD-SFHVURJKSA-N 1 2 338.455 3.826 50 0 EHAALO Cc1nc2c(s1)[C@H]([N@H+](C)CN1C(=O)[C@H]3CCCCCC[C@H]31)CCC2 ZINC000084925665 564070526 /nfs/dbraw/zinc/07/05/26/564070526.db2.gz GTIQTGGJLKAAGW-USXIJHARSA-N 1 2 347.528 3.899 50 0 EHAALO Cc1nc2c(s1)[C@H]([N@@H+](C)CN1C(=O)[C@H]3CCCCCC[C@H]31)CCC2 ZINC000084925665 564070527 /nfs/dbraw/zinc/07/05/27/564070527.db2.gz GTIQTGGJLKAAGW-USXIJHARSA-N 1 2 347.528 3.899 50 0 EHAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1ccncc1F ZINC000575619859 564083828 /nfs/dbraw/zinc/08/38/28/564083828.db2.gz MWGPRWBHBYCCBV-UHFFFAOYSA-N 1 2 336.370 3.673 50 0 EHAALO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000121740718 564084781 /nfs/dbraw/zinc/08/47/81/564084781.db2.gz QDXUDELQPCLKHL-ZDUSSCGKSA-N 1 2 331.803 3.729 50 0 EHAALO CC(C)(C)n1cc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)nn1 ZINC000191499472 564086549 /nfs/dbraw/zinc/08/65/49/564086549.db2.gz FJZXXIQZKOLXMH-UHFFFAOYSA-N 1 2 334.414 3.870 50 0 EHAALO Cn1cc(CNc2cc(C(F)(F)F)cc[nH+]2)c(-c2ccncc2)n1 ZINC000192148988 564090034 /nfs/dbraw/zinc/09/00/34/564090034.db2.gz PGMMNJKIAVNRPI-UHFFFAOYSA-N 1 2 333.317 3.508 50 0 EHAALO Cc1cc(C[C@@H](C)NC(=O)c2ccc(-c3cc(C)[nH+]c(C)c3)cc2)[nH]n1 ZINC000426359629 564093484 /nfs/dbraw/zinc/09/34/84/564093484.db2.gz NBMOAIFXADOIRA-OAHLLOKOSA-N 1 2 348.450 3.758 50 0 EHAALO Cc1ccccc1CN(C(=O)NCc1[nH+]ccn1C)C1CCCCC1 ZINC000426358936 564093486 /nfs/dbraw/zinc/09/34/86/564093486.db2.gz GICFIMAKTXXSAU-UHFFFAOYSA-N 1 2 340.471 3.773 50 0 EHAALO Cc1c[nH]c(CNC(=O)N(C/C=C/c2ccccc2)CC(C)C)[nH+]1 ZINC000426485678 564093853 /nfs/dbraw/zinc/09/38/53/564093853.db2.gz IMWBBXSUWYDJCH-JXMROGBWSA-N 1 2 326.444 3.599 50 0 EHAALO Cc1c[nH]c(CNC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)[nH+]1 ZINC000426497245 564093870 /nfs/dbraw/zinc/09/38/70/564093870.db2.gz NHRHCCXVKYXIFA-UHFFFAOYSA-N 1 2 344.434 3.902 50 0 EHAALO CC(C)c1nc(C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)cs1 ZINC000064627284 564094537 /nfs/dbraw/zinc/09/45/37/564094537.db2.gz CMCDUSIJPKUVFW-UHFFFAOYSA-N 1 2 344.484 3.512 50 0 EHAALO Cc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000006864800 564100032 /nfs/dbraw/zinc/10/00/32/564100032.db2.gz ZTZDYDOKLVYHKA-NEFAXPCMSA-N 1 2 344.499 3.741 50 0 EHAALO Cc1ccc(C[N@H+](C)CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000006864800 564100033 /nfs/dbraw/zinc/10/00/33/564100033.db2.gz ZTZDYDOKLVYHKA-NEFAXPCMSA-N 1 2 344.499 3.741 50 0 EHAALO Cc1cc(N)nc(SCc2nc(-c3ccc(C(C)C)cc3)no2)[nH+]1 ZINC000007049359 564103703 /nfs/dbraw/zinc/10/37/03/564103703.db2.gz AJAVGVSFGALKDL-UHFFFAOYSA-N 1 2 341.440 3.833 50 0 EHAALO Cc1ccc(CN(Cc2ccco2)c2[nH+]cnc3c2cnn3C)s1 ZINC000065412755 564105796 /nfs/dbraw/zinc/10/57/96/564105796.db2.gz CBFHITNAJVCMDJ-UHFFFAOYSA-N 1 2 339.424 3.533 50 0 EHAALO Clc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc2c1OCO2 ZINC000065533777 564107151 /nfs/dbraw/zinc/10/71/51/564107151.db2.gz PRFYHDWKRDASOH-QGZVFWFLSA-N 1 2 331.799 3.642 50 0 EHAALO Clc1cc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc2c1OCO2 ZINC000065533777 564107152 /nfs/dbraw/zinc/10/71/52/564107152.db2.gz PRFYHDWKRDASOH-QGZVFWFLSA-N 1 2 331.799 3.642 50 0 EHAALO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000089689283 564113106 /nfs/dbraw/zinc/11/31/06/564113106.db2.gz KIEIBIARXODHNJ-LEWJYISDSA-N 1 2 345.446 3.660 50 0 EHAALO CCO[C@H](C)c1noc(CSCc2cn3cccc(C)c3[nH+]2)n1 ZINC000089985005 564115992 /nfs/dbraw/zinc/11/59/92/564115992.db2.gz OJYAINJGSNLPEY-GFCCVEGCSA-N 1 2 332.429 3.557 50 0 EHAALO O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000252482485 564119200 /nfs/dbraw/zinc/11/92/00/564119200.db2.gz DGRYJRSEINHSOG-MJGOQNOKSA-N 1 2 349.409 3.875 50 0 EHAALO O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000252482485 564119201 /nfs/dbraw/zinc/11/92/01/564119201.db2.gz DGRYJRSEINHSOG-MJGOQNOKSA-N 1 2 349.409 3.875 50 0 EHAALO C[N@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccc2c(c1)OCO2 ZINC000007639447 564121420 /nfs/dbraw/zinc/12/14/20/564121420.db2.gz KFGKDKUHNLVZHA-UHFFFAOYSA-N 1 2 348.402 3.639 50 0 EHAALO C[N@@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccc2c(c1)OCO2 ZINC000007639447 564121421 /nfs/dbraw/zinc/12/14/21/564121421.db2.gz KFGKDKUHNLVZHA-UHFFFAOYSA-N 1 2 348.402 3.639 50 0 EHAALO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(F)cc1 ZINC000007927170 564125557 /nfs/dbraw/zinc/12/55/57/564125557.db2.gz NMIMPLFPRAGYEX-MRXNPFEDSA-N 1 2 348.443 3.507 50 0 EHAALO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(F)cc1 ZINC000007927170 564125558 /nfs/dbraw/zinc/12/55/58/564125558.db2.gz NMIMPLFPRAGYEX-MRXNPFEDSA-N 1 2 348.443 3.507 50 0 EHAALO COC(C)(C)c1csc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000253392574 564130452 /nfs/dbraw/zinc/13/04/52/564130452.db2.gz NBUOSSWCUYZHMC-OAHLLOKOSA-N 1 2 332.469 3.598 50 0 EHAALO COC(C)(C)c1csc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000253392574 564130453 /nfs/dbraw/zinc/13/04/53/564130453.db2.gz NBUOSSWCUYZHMC-OAHLLOKOSA-N 1 2 332.469 3.598 50 0 EHAALO Cc1nn(C)c(Cl)c1CSCc1[nH+]ccn1CC(F)(F)F ZINC000078936063 564137406 /nfs/dbraw/zinc/13/74/06/564137406.db2.gz DNZRTLLPVQQUCV-UHFFFAOYSA-N 1 2 338.786 3.574 50 0 EHAALO Oc1ccc(C2=CC[N@H+](Cc3nnc(Cc4ccccc4)o3)CC2)cc1 ZINC000095938955 564141943 /nfs/dbraw/zinc/14/19/43/564141943.db2.gz YFRKJRLBPJPNLP-UHFFFAOYSA-N 1 2 347.418 3.655 50 0 EHAALO Oc1ccc(C2=CC[N@@H+](Cc3nnc(Cc4ccccc4)o3)CC2)cc1 ZINC000095938955 564141944 /nfs/dbraw/zinc/14/19/44/564141944.db2.gz YFRKJRLBPJPNLP-UHFFFAOYSA-N 1 2 347.418 3.655 50 0 EHAALO CSc1ccccc1C[C@@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000095940865 564142021 /nfs/dbraw/zinc/14/20/21/564142021.db2.gz ZXMLMVWPHIDOSR-RDTXWAMCSA-N 1 2 338.480 3.837 50 0 EHAALO O=C(Cn1cc[nH+]c1)Nc1ccccc1Nc1ccc(F)cc1F ZINC000095995607 564144223 /nfs/dbraw/zinc/14/42/23/564144223.db2.gz ASJUVMNFCYKVOS-UHFFFAOYSA-N 1 2 328.322 3.544 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)Cc2cccc(Cl)c2)c1C ZINC000057315515 564153563 /nfs/dbraw/zinc/15/35/63/564153563.db2.gz BWRVTWITEFIYGT-UHFFFAOYSA-N 1 2 332.831 3.802 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)Cc2cccc(Cl)c2)c1C ZINC000057315515 564153564 /nfs/dbraw/zinc/15/35/64/564153564.db2.gz BWRVTWITEFIYGT-UHFFFAOYSA-N 1 2 332.831 3.802 50 0 EHAALO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000057568026 564154994 /nfs/dbraw/zinc/15/49/94/564154994.db2.gz ARVQIPNBNKWKBB-VOJFVSQTSA-N 1 2 348.368 3.774 50 0 EHAALO Cc1ccc(C)c(N2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)c1 ZINC000058024080 564157267 /nfs/dbraw/zinc/15/72/67/564157267.db2.gz UAOUVPZRFWBHRV-UHFFFAOYSA-N 1 2 348.450 3.676 50 0 EHAALO CCc1ccc(-c2nc(SCc3cn4ccccc4[nH+]3)n[nH]2)cc1 ZINC000008710145 564166625 /nfs/dbraw/zinc/16/66/25/564166625.db2.gz ZGOUKPUBGDQKOR-UHFFFAOYSA-N 1 2 335.436 3.974 50 0 EHAALO CC[C@H](C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000069484092 564169806 /nfs/dbraw/zinc/16/98/06/564169806.db2.gz OQCVBYRFOOLGLD-IBGZPJMESA-N 1 2 337.467 3.703 50 0 EHAALO CNC(=O)c1ccc(C[N@H+](C)Cc2csc(C3CCCC3)n2)cc1 ZINC000069591305 564170796 /nfs/dbraw/zinc/17/07/96/564170796.db2.gz IXOPKZLKYXCHTR-UHFFFAOYSA-N 1 2 343.496 3.792 50 0 EHAALO CNC(=O)c1ccc(C[N@@H+](C)Cc2csc(C3CCCC3)n2)cc1 ZINC000069591305 564170797 /nfs/dbraw/zinc/17/07/97/564170797.db2.gz IXOPKZLKYXCHTR-UHFFFAOYSA-N 1 2 343.496 3.792 50 0 EHAALO Cn1cc([C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc(F)cc3)n2)cn1 ZINC000069654164 564171189 /nfs/dbraw/zinc/17/11/89/564171189.db2.gz MJGNMNBZVXYOKM-KRWDZBQOSA-N 1 2 326.375 3.551 50 0 EHAALO Cn1cc([C@@H]2CCC[N@H+]2Cc2coc(-c3ccc(F)cc3)n2)cn1 ZINC000069654164 564171190 /nfs/dbraw/zinc/17/11/90/564171190.db2.gz MJGNMNBZVXYOKM-KRWDZBQOSA-N 1 2 326.375 3.551 50 0 EHAALO Cn1cc([C@@H]2CCC[N@@H+]2Cc2coc(-c3cccc(F)c3)n2)cn1 ZINC000071799315 564175461 /nfs/dbraw/zinc/17/54/61/564175461.db2.gz BXVAILJKYIIVDE-KRWDZBQOSA-N 1 2 326.375 3.551 50 0 EHAALO Cn1cc([C@@H]2CCC[N@H+]2Cc2coc(-c3cccc(F)c3)n2)cn1 ZINC000071799315 564175462 /nfs/dbraw/zinc/17/54/62/564175462.db2.gz BXVAILJKYIIVDE-KRWDZBQOSA-N 1 2 326.375 3.551 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000581806354 1132367774 /nfs/dbraw/zinc/36/77/74/1132367774.db2.gz PQILKOHXFQCFCO-IBGZPJMESA-N 1 2 335.451 3.988 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1C1CN(C(=O)c2cccc(C)c2)C1 ZINC000581807512 1132369128 /nfs/dbraw/zinc/36/91/28/1132369128.db2.gz INEOGSSXJJQUEJ-UHFFFAOYSA-N 1 2 331.419 3.864 50 0 EHAALO Cc1c[nH+]c(-c2cccnc2)n1C[C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC000581807188 1132369405 /nfs/dbraw/zinc/36/94/05/1132369405.db2.gz KHVNGCMJUJVKEK-QGZVFWFLSA-N 1 2 340.471 3.538 50 0 EHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000581806769 1132369850 /nfs/dbraw/zinc/36/98/50/1132369850.db2.gz XOQPSOCYDDYELH-SFHVURJKSA-N 1 2 338.455 3.607 50 0 EHAALO Cc1cccc(S(=O)(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)c1 ZINC000050534618 214059443 /nfs/dbraw/zinc/05/94/43/214059443.db2.gz UKINHFLBJNRCAW-UHFFFAOYSA-N 1 2 340.404 3.983 50 0 EHAALO COc1cccc(-c2cn3cc(-c4ccc5c(c4)OCO5)n(C)c3[nH+]2)c1 ZINC000004678544 210245335 /nfs/dbraw/zinc/24/53/35/210245335.db2.gz QVZXYHJXDLFJRV-UHFFFAOYSA-N 1 2 347.374 3.744 50 0 EHAALO CC[C@@H](c1nn2c(C[NH+](CC)CC)nnc2s1)c1ccccc1 ZINC000067239784 215127071 /nfs/dbraw/zinc/12/70/71/215127071.db2.gz USZQIAZRTXTUMU-CQSZACIVSA-N 1 2 329.473 3.570 50 0 EHAALO CC(C)c1nc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2cccc(F)c2)co1 ZINC000067676346 215182153 /nfs/dbraw/zinc/18/21/53/215182153.db2.gz JADXPNGISYIGMW-SFHVURJKSA-N 1 2 340.402 3.808 50 0 EHAALO CC(C)c1nccc(C[N@@H+]2CCc3nc[nH]c3[C@H]2Cc2ccccc2)n1 ZINC000067843156 215229055 /nfs/dbraw/zinc/22/90/55/215229055.db2.gz TXHRUYFVOVFLPD-LJQANCHMSA-N 1 2 347.466 3.665 50 0 EHAALO CC(C)c1nccc(C[N@H+]2CCc3nc[nH]c3[C@H]2Cc2ccccc2)n1 ZINC000067843156 215229058 /nfs/dbraw/zinc/22/90/58/215229058.db2.gz TXHRUYFVOVFLPD-LJQANCHMSA-N 1 2 347.466 3.665 50 0 EHAALO Fc1ccc([C@@H]2c3[nH]c[nH+]c3CCN2Cc2ccco2)c(Cl)c1 ZINC000067965628 215262468 /nfs/dbraw/zinc/26/24/68/215262468.db2.gz ZGRCWNRKSHYECQ-QGZVFWFLSA-N 1 2 331.778 3.943 50 0 EHAALO CC(C)(C)c1noc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)n1 ZINC000040051162 213255452 /nfs/dbraw/zinc/25/54/52/213255452.db2.gz HSDXQOBLIKWCHL-ZDUSSCGKSA-N 1 2 335.473 3.610 50 0 EHAALO CC(C)(C)c1noc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)n1 ZINC000040051162 213255456 /nfs/dbraw/zinc/25/54/56/213255456.db2.gz HSDXQOBLIKWCHL-ZDUSSCGKSA-N 1 2 335.473 3.610 50 0 EHAALO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1F ZINC000036102995 213066715 /nfs/dbraw/zinc/06/67/15/213066715.db2.gz ZCZRHHMCXHQCAD-INIZCTEOSA-N 1 2 335.419 3.597 50 0 EHAALO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1F ZINC000036102995 213066717 /nfs/dbraw/zinc/06/67/17/213066717.db2.gz ZCZRHHMCXHQCAD-INIZCTEOSA-N 1 2 335.419 3.597 50 0 EHAALO Clc1ccccc1-n1ncc2c1nc[nH+]c2NCc1ccco1 ZINC000035586177 213039794 /nfs/dbraw/zinc/03/97/94/213039794.db2.gz GQKUGUGPNYWMTK-UHFFFAOYSA-N 1 2 325.759 3.674 50 0 EHAALO CCCn1cc[nH+]c1CNc1cc(-c2ccccc2)nc2ccnn21 ZINC000072125580 216016465 /nfs/dbraw/zinc/01/64/65/216016465.db2.gz CQTZZTXKEDRXPN-UHFFFAOYSA-N 1 2 332.411 3.615 50 0 EHAALO CNc1cc(-c2nccc(-c3ccc(C)[nH+]c3C)n2)c2cc[nH]c2n1 ZINC000072164924 216053989 /nfs/dbraw/zinc/05/39/89/216053989.db2.gz WEAZFDMZYNYIGA-UHFFFAOYSA-N 1 2 330.395 3.740 50 0 EHAALO CCC[C@@H](Nc1cc(C(C)C)nc2cc(C)nn21)c1[nH+]ccn1C ZINC000072428762 216221150 /nfs/dbraw/zinc/22/11/50/216221150.db2.gz JYDJGCJHQDHISG-CQSZACIVSA-N 1 2 326.448 3.848 50 0 EHAALO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1nnc(-c3ccco3)o1)CCC2 ZINC000072631421 216285904 /nfs/dbraw/zinc/28/59/04/216285904.db2.gz LOAFBXPNVLLIMW-LBPRGKRZSA-N 1 2 330.413 3.604 50 0 EHAALO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1nnc(-c3ccco3)o1)CCC2 ZINC000072631421 216285906 /nfs/dbraw/zinc/28/59/06/216285906.db2.gz LOAFBXPNVLLIMW-LBPRGKRZSA-N 1 2 330.413 3.604 50 0 EHAALO CC(C)c1nc(CC[N@H+](C)Cc2c(Cl)cncc2Cl)no1 ZINC000215138956 241108855 /nfs/dbraw/zinc/10/88/55/241108855.db2.gz NTIDRORTLMTWNZ-UHFFFAOYSA-N 1 2 329.231 3.569 50 0 EHAALO CC(C)c1nc(CC[N@@H+](C)Cc2c(Cl)cncc2Cl)no1 ZINC000215138956 241108859 /nfs/dbraw/zinc/10/88/59/241108859.db2.gz NTIDRORTLMTWNZ-UHFFFAOYSA-N 1 2 329.231 3.569 50 0 EHAALO CCCCc1nc(Cl)c(C[N@@H+]2CCc3[nH]nc(C4CC4)c3C2)[nH]1 ZINC000216116057 241166177 /nfs/dbraw/zinc/16/61/77/241166177.db2.gz XHRZZBOASZRZJL-UHFFFAOYSA-N 1 2 333.867 3.565 50 0 EHAALO CCCCc1nc(Cl)c(C[N@H+]2CCc3[nH]nc(C4CC4)c3C2)[nH]1 ZINC000216116057 241166184 /nfs/dbraw/zinc/16/61/84/241166184.db2.gz XHRZZBOASZRZJL-UHFFFAOYSA-N 1 2 333.867 3.565 50 0 EHAALO CCCCc1nc(Cl)c(C[N@@H+]2CCc3n[nH]c(C4CC4)c3C2)[nH]1 ZINC000216116057 241166192 /nfs/dbraw/zinc/16/61/92/241166192.db2.gz XHRZZBOASZRZJL-UHFFFAOYSA-N 1 2 333.867 3.565 50 0 EHAALO CCCCc1nc(Cl)c(C[N@H+]2CCc3n[nH]c(C4CC4)c3C2)[nH]1 ZINC000216116057 241166200 /nfs/dbraw/zinc/16/62/00/241166200.db2.gz XHRZZBOASZRZJL-UHFFFAOYSA-N 1 2 333.867 3.565 50 0 EHAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+](C)Cc2nc(C3CC3)no2)c1 ZINC000215585414 241134231 /nfs/dbraw/zinc/13/42/31/241134231.db2.gz ISMJYXPWVHTROG-UHFFFAOYSA-N 1 2 337.427 3.586 50 0 EHAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+](C)Cc2nc(C3CC3)no2)c1 ZINC000215585414 241134237 /nfs/dbraw/zinc/13/42/37/241134237.db2.gz ISMJYXPWVHTROG-UHFFFAOYSA-N 1 2 337.427 3.586 50 0 EHAALO CCc1[nH+]c2ccccc2n1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000020911217 212186157 /nfs/dbraw/zinc/18/61/57/212186157.db2.gz UPVAXSSZYQWCLI-UHFFFAOYSA-N 1 2 347.871 3.972 50 0 EHAALO c1coc(C[NH+]2CCN(Cc3ccccc3OC3CCCC3)CC2)c1 ZINC000244882502 243094366 /nfs/dbraw/zinc/09/43/66/243094366.db2.gz XTEMSCMGYFBHBU-UHFFFAOYSA-N 1 2 340.467 3.919 50 0 EHAALO c1coc(CN2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)c1 ZINC000244882502 243094371 /nfs/dbraw/zinc/09/43/71/243094371.db2.gz XTEMSCMGYFBHBU-UHFFFAOYSA-N 1 2 340.467 3.919 50 0 EHAALO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000020479634 212136208 /nfs/dbraw/zinc/13/62/08/212136208.db2.gz FDMSUPILLWVHRZ-UHFFFAOYSA-N 1 2 339.222 3.544 50 0 EHAALO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000020437762 212129438 /nfs/dbraw/zinc/12/94/38/212129438.db2.gz VWILGDKYOWUEGP-UHFFFAOYSA-N 1 2 347.821 3.829 50 0 EHAALO N=C1N(Cc2ccccc2)c2ccccc2[N@@H+]1CC(=O)c1cccs1 ZINC000019721104 212058601 /nfs/dbraw/zinc/05/86/01/212058601.db2.gz YSRFMKVOPJUBGZ-UHFFFAOYSA-N 1 2 347.443 3.915 50 0 EHAALO N=C1N(Cc2ccccc2)c2ccccc2[N@H+]1CC(=O)c1cccs1 ZINC000019721104 212058602 /nfs/dbraw/zinc/05/86/02/212058602.db2.gz YSRFMKVOPJUBGZ-UHFFFAOYSA-N 1 2 347.443 3.915 50 0 EHAALO COC(=O)[C@@H]1C[C@H](Oc2ccc(Cl)cc2C2CCCCC2)C[NH2+]1 ZINC000019735853 212058019 /nfs/dbraw/zinc/05/80/19/212058019.db2.gz XGXYLMFBFOYIMB-HOCLYGCPSA-N 1 2 337.847 3.670 50 0 EHAALO O=C(c1ccccc1)N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000019368870 212023373 /nfs/dbraw/zinc/02/33/73/212023373.db2.gz IKGGLYOQXBSLEE-UHFFFAOYSA-N 1 2 348.368 3.663 50 0 EHAALO CSc1nnc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000078776790 217119936 /nfs/dbraw/zinc/11/99/36/217119936.db2.gz ISDIMQYDHWWICO-LLVKDONJSA-N 1 2 345.497 3.516 50 0 EHAALO CSc1nnc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)s1 ZINC000078776790 217119940 /nfs/dbraw/zinc/11/99/40/217119940.db2.gz ISDIMQYDHWWICO-LLVKDONJSA-N 1 2 345.497 3.516 50 0 EHAALO CCCOc1ccc(Cl)cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000079018224 217175537 /nfs/dbraw/zinc/17/55/37/217175537.db2.gz XGCCRPMNFPDVSF-UHFFFAOYSA-N 1 2 347.846 3.803 50 0 EHAALO COc1ccc([C@H](CO)[N@H+](C)Cc2csc(-c3ccoc3)n2)cc1 ZINC000079091243 217190519 /nfs/dbraw/zinc/19/05/19/217190519.db2.gz QGPZNLCYTDSXML-KRWDZBQOSA-N 1 2 344.436 3.577 50 0 EHAALO COc1ccc([C@H](CO)[N@@H+](C)Cc2csc(-c3ccoc3)n2)cc1 ZINC000079091243 217190521 /nfs/dbraw/zinc/19/05/21/217190521.db2.gz QGPZNLCYTDSXML-KRWDZBQOSA-N 1 2 344.436 3.577 50 0 EHAALO Brc1cncc(NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000080948786 217344813 /nfs/dbraw/zinc/34/48/13/217344813.db2.gz MOFQAABZCBQKFK-UHFFFAOYSA-N 1 2 343.228 3.701 50 0 EHAALO Cc1ccnc(Oc2cc(NC(=O)NCc3[nH]cc[nH+]3)ccc2C)c1 ZINC000092055400 218111803 /nfs/dbraw/zinc/11/18/03/218111803.db2.gz HRZMIVXDGDQYGL-UHFFFAOYSA-N 1 2 337.383 3.536 50 0 EHAALO C[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009156587 211047187 /nfs/dbraw/zinc/04/71/87/211047187.db2.gz JHXOYTIFFROOMO-AWEZNQCLSA-N 1 2 339.826 3.946 50 0 EHAALO O=C(CCc1ccsc1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095373834 218306377 /nfs/dbraw/zinc/30/63/77/218306377.db2.gz RJVGGSKGKFYCKF-UHFFFAOYSA-N 1 2 343.496 3.693 50 0 EHAALO Cc1cc(CC(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)ccc1F ZINC000095391307 218322360 /nfs/dbraw/zinc/32/23/60/218322360.db2.gz QERLDWIXMPQVEC-KRWDZBQOSA-N 1 2 343.446 3.860 50 0 EHAALO Cc1csc([C@H](NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C2CC2)n1 ZINC000095405370 218341456 /nfs/dbraw/zinc/34/14/56/218341456.db2.gz VRKJLMSHGSNHBM-UONOGXRCSA-N 1 2 345.472 3.563 50 0 EHAALO CCn1cc[nH+]c1Cc1nc2ccc(Oc3ccccc3)cc2c(=O)[nH]1 ZINC000095409382 218345366 /nfs/dbraw/zinc/34/53/66/218345366.db2.gz ILABKVCRZWCIDI-UHFFFAOYSA-N 1 2 346.390 3.523 50 0 EHAALO Cc1cnccc1CCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000095437918 218381002 /nfs/dbraw/zinc/38/10/02/218381002.db2.gz BHYIDDCZARRJAW-UHFFFAOYSA-N 1 2 348.406 3.942 50 0 EHAALO c1cn(CCOc2ccccc2NCc2ccc3c(c2)CCO3)c[nH+]1 ZINC000095428810 218371051 /nfs/dbraw/zinc/37/10/51/218371051.db2.gz UVLFFMCGRPUBNX-UHFFFAOYSA-N 1 2 335.407 3.509 50 0 EHAALO CC(C)(C)OC(=O)N1CCCc2ccc(NCc3[nH]cc[nH+]3)cc21 ZINC000095429099 218372056 /nfs/dbraw/zinc/37/20/56/218372056.db2.gz GVPFHQNGERRKID-UHFFFAOYSA-N 1 2 328.416 3.710 50 0 EHAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc(C(F)(F)F)cc1 ZINC000004894884 210314594 /nfs/dbraw/zinc/31/45/94/210314594.db2.gz ANZONHABYKSORJ-UHFFFAOYSA-N 1 2 334.341 3.702 50 0 EHAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(C(F)(F)F)cc1 ZINC000004894884 210314598 /nfs/dbraw/zinc/31/45/98/210314598.db2.gz ANZONHABYKSORJ-UHFFFAOYSA-N 1 2 334.341 3.702 50 0 EHAALO Cc1ccc(SCCC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1C ZINC000328586926 258046526 /nfs/dbraw/zinc/04/65/26/258046526.db2.gz UQRDCHYBROYUDD-INIZCTEOSA-N 1 2 329.469 3.872 50 0 EHAALO Cc1c(NC(=O)N(Cc2[nH+]ccn2C)C2CC2)cccc1-n1cccc1 ZINC000299778158 258087543 /nfs/dbraw/zinc/08/75/43/258087543.db2.gz OMXAOHXTWGURJR-UHFFFAOYSA-N 1 2 349.438 3.716 50 0 EHAALO Cc1c(F)cccc1NC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000299783215 258091008 /nfs/dbraw/zinc/09/10/08/258091008.db2.gz ZPMZQYXZEANZLE-UHFFFAOYSA-N 1 2 329.375 3.604 50 0 EHAALO CCOc1ccccc1N1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000055542927 132195692 /nfs/dbraw/zinc/19/56/92/132195692.db2.gz HQVLSEHXUJPEAY-UHFFFAOYSA-N 1 2 332.394 3.686 50 0 EHAALO Cc1ccccc1C[N@@H+]1CCN(c2ccc(F)cc2F)C(=O)[C@@H]1C ZINC000037519903 132395026 /nfs/dbraw/zinc/39/50/26/132395026.db2.gz LBYUJRXOUMHUOD-AWEZNQCLSA-N 1 2 330.378 3.511 50 0 EHAALO Cc1ccccc1C[N@H+]1CCN(c2ccc(F)cc2F)C(=O)[C@@H]1C ZINC000037519903 132395028 /nfs/dbraw/zinc/39/50/28/132395028.db2.gz LBYUJRXOUMHUOD-AWEZNQCLSA-N 1 2 330.378 3.511 50 0 EHAALO O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000071889671 563416893 /nfs/dbraw/zinc/41/68/93/563416893.db2.gz MVRMZGVCHHYLKN-KRWDZBQOSA-N 1 2 347.846 3.546 50 0 EHAALO Cc1ccc(OCc2nn(C[NH+]3CCCCC3)c(=S)n2C)cc1C ZINC000002810357 563451599 /nfs/dbraw/zinc/45/15/99/563451599.db2.gz OLOALWRJSPWJRV-UHFFFAOYSA-N 1 2 346.500 3.590 50 0 EHAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1cccc(C(F)(F)F)c1 ZINC000005938369 563554709 /nfs/dbraw/zinc/55/47/09/563554709.db2.gz WMSKNYYAFBHLOS-UHFFFAOYSA-N 1 2 334.341 3.702 50 0 EHAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1cccc(C(F)(F)F)c1 ZINC000005938369 563554710 /nfs/dbraw/zinc/55/47/10/563554710.db2.gz WMSKNYYAFBHLOS-UHFFFAOYSA-N 1 2 334.341 3.702 50 0 EHAALO CSc1nc(C[N@H+](C)Cc2cccc(Cl)c2Cl)cc(=O)[nH]1 ZINC000014245086 563754808 /nfs/dbraw/zinc/75/48/08/563754808.db2.gz IXGIGSIVNGHFRF-UHFFFAOYSA-N 1 2 344.267 3.843 50 0 EHAALO CSc1nc(C[N@@H+](C)Cc2cccc(Cl)c2Cl)cc(=O)[nH]1 ZINC000014245086 563754810 /nfs/dbraw/zinc/75/48/10/563754810.db2.gz IXGIGSIVNGHFRF-UHFFFAOYSA-N 1 2 344.267 3.843 50 0 EHAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)NC1CCCC1 ZINC000015548609 563786902 /nfs/dbraw/zinc/78/69/02/563786902.db2.gz RRJQOKSVQTZODP-SFHVURJKSA-N 1 2 346.521 3.816 50 0 EHAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)NC1CCCC1 ZINC000015548609 563786906 /nfs/dbraw/zinc/78/69/06/563786906.db2.gz RRJQOKSVQTZODP-SFHVURJKSA-N 1 2 346.521 3.816 50 0 EHAALO CCN(CC)C(=O)c1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000032903094 563789870 /nfs/dbraw/zinc/78/98/70/563789870.db2.gz RODGAYVYPQCUBC-UHFFFAOYSA-N 1 2 337.423 3.704 50 0 EHAALO Cc1cccc(C)c1OC[C@@H](O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000016903127 563825287 /nfs/dbraw/zinc/82/52/87/563825287.db2.gz RBTSXYDZWLLEMA-KRWDZBQOSA-N 1 2 336.435 3.970 50 0 EHAALO Cc1nc(C[NH2+]Cc2c(C)nn(C)c2Oc2ccccc2)cs1 ZINC000058314836 563942386 /nfs/dbraw/zinc/94/23/86/563942386.db2.gz GIZWNPAUMQHMAG-UHFFFAOYSA-N 1 2 328.441 3.576 50 0 EHAALO Cn1cc[nH+]c1[C@@H](Nc1ccc(Br)cn1)c1ccccc1 ZINC000096417280 563951283 /nfs/dbraw/zinc/95/12/83/563951283.db2.gz FFQRBQBYILJWNE-HNNXBMFYSA-N 1 2 343.228 3.779 50 0 EHAALO C[C@@H](C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1)n1cc[nH+]c1 ZINC000096426838 563952159 /nfs/dbraw/zinc/95/21/59/563952159.db2.gz BVHLHYAUQOBFRO-LBPRGKRZSA-N 1 2 337.345 3.659 50 0 EHAALO O=C(Cn1cc[nH+]c1)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000096427161 563952191 /nfs/dbraw/zinc/95/21/91/563952191.db2.gz MFJMGAMKEZGLIA-MRXNPFEDSA-N 1 2 331.828 3.504 50 0 EHAALO C[C@@H](NC(=O)[C@@H](C)c1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432087 563952729 /nfs/dbraw/zinc/95/27/29/563952729.db2.gz MPGZRFMHFOILEY-UONOGXRCSA-N 1 2 325.437 3.915 50 0 EHAALO C[N@H+](Cc1nnc2sc(-c3cccs3)nn12)Cc1ccccc1 ZINC000065363336 563958167 /nfs/dbraw/zinc/95/81/67/563958167.db2.gz GSWDROWQDXRANZ-UHFFFAOYSA-N 1 2 341.465 3.546 50 0 EHAALO C[N@@H+](Cc1nnc2sc(-c3cccs3)nn12)Cc1ccccc1 ZINC000065363336 563958169 /nfs/dbraw/zinc/95/81/69/563958169.db2.gz GSWDROWQDXRANZ-UHFFFAOYSA-N 1 2 341.465 3.546 50 0 EHAALO CC[C@H](Oc1ccccc1)c1nn2c(C[NH+](CC)CC)nnc2s1 ZINC000065364410 563958258 /nfs/dbraw/zinc/95/82/58/563958258.db2.gz WHYUZULGNZSKAX-AWEZNQCLSA-N 1 2 345.472 3.558 50 0 EHAALO COc1ccc(Cl)cc1-n1nc(C2CC2)nc1[C@@H](C)n1cc[nH+]c1 ZINC000065435581 563960927 /nfs/dbraw/zinc/96/09/27/563960927.db2.gz YZRLUJLAZHINIZ-LLVKDONJSA-N 1 2 343.818 3.613 50 0 EHAALO Cc1c[nH+]c(C)nc1N1CCC[C@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000067856027 563962952 /nfs/dbraw/zinc/96/29/52/563962952.db2.gz LRCMXQMDWSGRND-SFHVURJKSA-N 1 2 347.466 3.791 50 0 EHAALO CC[NH+](CC)Cc1nnc2sc(-c3ccc4ccccc4c3)nn12 ZINC000071260557 563964054 /nfs/dbraw/zinc/96/40/54/563964054.db2.gz KRMOORWSAFTAGP-UHFFFAOYSA-N 1 2 337.452 3.848 50 0 EHAALO Cc1n[nH]c(C)c1CCn1cc[nH+]c1-c1cc2c(cc1Cl)OCO2 ZINC000071403990 563964257 /nfs/dbraw/zinc/96/42/57/563964257.db2.gz CWCYIMUCDDWVSB-UHFFFAOYSA-N 1 2 344.802 3.515 50 0 EHAALO Cc1c[nH+]c(C)nc1N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071419065 563964340 /nfs/dbraw/zinc/96/43/40/563964340.db2.gz PCBCAYFWKHWYNM-OAHLLOKOSA-N 1 2 338.238 3.978 50 0 EHAALO COC[C@@H](O)Cn1cc[nH+]c1-c1cccc2c3ccccc3sc21 ZINC000071439428 563964419 /nfs/dbraw/zinc/96/44/19/563964419.db2.gz XZWSRZGSPZLPDX-ZDUSSCGKSA-N 1 2 338.432 3.925 50 0 EHAALO c1cn(CC2CCOCC2)c(-c2cccc(OCc3ccccn3)c2)[nH+]1 ZINC000071757035 563965261 /nfs/dbraw/zinc/96/52/61/563965261.db2.gz UMMARAFPJPKGQP-UHFFFAOYSA-N 1 2 349.434 3.951 50 0 EHAALO Cc1ccc2[nH+]c(CN3CCC[C@H]3c3nc4ccccc4n3C)cn2c1 ZINC000077505034 563970039 /nfs/dbraw/zinc/97/00/39/563970039.db2.gz CPJVFLRLSMJGQB-IBGZPJMESA-N 1 2 345.450 3.867 50 0 EHAALO Cc1ccc2nc(C[N@H+]3CCC[C@H]3c3nc4ccccc4n3C)cn2c1 ZINC000077505034 563970040 /nfs/dbraw/zinc/97/00/40/563970040.db2.gz CPJVFLRLSMJGQB-IBGZPJMESA-N 1 2 345.450 3.867 50 0 EHAALO Cc1ccc2nc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4n3C)cn2c1 ZINC000077505034 563970041 /nfs/dbraw/zinc/97/00/41/563970041.db2.gz CPJVFLRLSMJGQB-IBGZPJMESA-N 1 2 345.450 3.867 50 0 EHAALO COc1cc2cc[nH+]cc2cc1OC(=O)c1scnc1C1CC1 ZINC000097047401 563971691 /nfs/dbraw/zinc/97/16/91/563971691.db2.gz MUJLMWQXFICBCH-UHFFFAOYSA-N 1 2 326.377 3.797 50 0 EHAALO O=c1cc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)[nH]c2ccc(F)cc12 ZINC000091321364 563975284 /nfs/dbraw/zinc/97/52/84/563975284.db2.gz RWUGMFUZTSKHGZ-GOSISDBHSA-N 1 2 326.346 3.753 50 0 EHAALO O=c1cc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)[nH]c2ccc(F)cc12 ZINC000091321364 563975285 /nfs/dbraw/zinc/97/52/85/563975285.db2.gz RWUGMFUZTSKHGZ-GOSISDBHSA-N 1 2 326.346 3.753 50 0 EHAALO c1ccc2nc(C[N@@H+]3CCCC[C@H]3c3nnc4n3CCCC4)ccc2c1 ZINC000124320167 563995155 /nfs/dbraw/zinc/99/51/55/563995155.db2.gz LNSRWZFXSSGORK-IBGZPJMESA-N 1 2 347.466 3.890 50 0 EHAALO c1ccc2nc(C[N@H+]3CCCC[C@H]3c3nnc4n3CCCC4)ccc2c1 ZINC000124320167 563995156 /nfs/dbraw/zinc/99/51/56/563995156.db2.gz LNSRWZFXSSGORK-IBGZPJMESA-N 1 2 347.466 3.890 50 0 EHAALO c1sc([C@H]2C[N@H+](Cc3cccnc3)CCO2)nc1-c1ccccc1 ZINC000065458781 563998234 /nfs/dbraw/zinc/99/82/34/563998234.db2.gz XQSHLJACJNIVMK-GOSISDBHSA-N 1 2 337.448 3.779 50 0 EHAALO c1sc([C@H]2C[N@@H+](Cc3cccnc3)CCO2)nc1-c1ccccc1 ZINC000065458781 563998235 /nfs/dbraw/zinc/99/82/35/563998235.db2.gz XQSHLJACJNIVMK-GOSISDBHSA-N 1 2 337.448 3.779 50 0 EHAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1C1CCCC1 ZINC000066890227 563999494 /nfs/dbraw/zinc/99/94/94/563999494.db2.gz RZPOTUWLHAZAED-LJQANCHMSA-N 1 2 338.455 3.737 50 0 EHAALO Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2[nH+]1 ZINC000005260107 564001768 /nfs/dbraw/zinc/00/17/68/564001768.db2.gz UCUWHQNOYJAMFF-UHFFFAOYSA-N 1 2 332.812 3.997 50 0 EHAALO C[C@H](NC(=O)c1ccn2cc[nH+]c2c1)c1ccc(OC(F)(F)F)cc1 ZINC000152676435 564006016 /nfs/dbraw/zinc/00/60/16/564006016.db2.gz LZUACUQMYHAZRZ-NSHDSACASA-N 1 2 349.312 3.724 50 0 EHAALO CCn1cc[nH+]c1-c1cccc(NC(=O)c2cccc3c2OCCO3)c1 ZINC000157269681 564010557 /nfs/dbraw/zinc/01/05/57/564010557.db2.gz PFFZBJLWDVEPMC-UHFFFAOYSA-N 1 2 349.390 3.594 50 0 EHAALO CCCc1nc2sc3c(nc(SC)[nH+]c3NN)c2c2c1CCC2 ZINC000000545396 564022678 /nfs/dbraw/zinc/02/26/78/564022678.db2.gz KJNCTSWOTHFMIA-UHFFFAOYSA-N 1 2 345.497 3.688 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000044889240 564027640 /nfs/dbraw/zinc/02/76/40/564027640.db2.gz WJERMKJLJOJMPO-MRXNPFEDSA-N 1 2 325.799 3.593 50 0 EHAALO Cc1ccc([C@@H](C)NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)o1 ZINC000044966659 564027944 /nfs/dbraw/zinc/02/79/44/564027944.db2.gz OYGKFLBIDVHZKX-OAHLLOKOSA-N 1 2 342.443 3.534 50 0 EHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000044977613 564028065 /nfs/dbraw/zinc/02/80/65/564028065.db2.gz HXWMAALAZFAZQD-MLGOLLRUSA-N 1 2 325.437 3.883 50 0 EHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000044977613 564028066 /nfs/dbraw/zinc/02/80/66/564028066.db2.gz HXWMAALAZFAZQD-MLGOLLRUSA-N 1 2 325.437 3.883 50 0 EHAALO CC(C)c1nsc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000108370990 564028166 /nfs/dbraw/zinc/02/81/66/564028166.db2.gz PSXMOKLBUKNIKG-KBPBESRZSA-N 1 2 338.427 3.797 50 0 EHAALO CC(C)c1nsc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)n1 ZINC000108370990 564028167 /nfs/dbraw/zinc/02/81/67/564028167.db2.gz PSXMOKLBUKNIKG-KBPBESRZSA-N 1 2 338.427 3.797 50 0 EHAALO CN(C)c1[nH+]cccc1NC(=O)c1ccc(C2SCCS2)cc1 ZINC000047976598 564029845 /nfs/dbraw/zinc/02/98/45/564029845.db2.gz AGBKLVWZXRUMNO-UHFFFAOYSA-N 1 2 345.493 3.879 50 0 EHAALO Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000007927209 564034535 /nfs/dbraw/zinc/03/45/35/564034535.db2.gz CWMSLMJLNBQWQR-KRWDZBQOSA-N 1 2 344.480 3.676 50 0 EHAALO Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000007927209 564034536 /nfs/dbraw/zinc/03/45/36/564034536.db2.gz CWMSLMJLNBQWQR-KRWDZBQOSA-N 1 2 344.480 3.676 50 0 EHAALO Cc1ccc(C(F)(F)F)cc1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000220117947 564035826 /nfs/dbraw/zinc/03/58/26/564035826.db2.gz LRFGVXHVPGGSAO-AWEZNQCLSA-N 1 2 337.345 3.628 50 0 EHAALO CCCn1cc[nH+]c1CNC(=O)c1cc(C(F)(F)F)ccc1C ZINC000220435852 564035894 /nfs/dbraw/zinc/03/58/94/564035894.db2.gz BSFZZATXMDFQAZ-UHFFFAOYSA-N 1 2 325.334 3.550 50 0 EHAALO CCOc1ccc(C(=O)N[C@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000012529382 564058199 /nfs/dbraw/zinc/05/81/99/564058199.db2.gz MXUSTBIMIBFAJQ-GOSISDBHSA-N 1 2 335.407 3.522 50 0 EHAALO Cn1cc[nH+]c1[C@H](Nc1ncnc2sccc21)c1cccc(F)c1 ZINC000012559941 564059463 /nfs/dbraw/zinc/05/94/63/564059463.db2.gz JWPOIPHWLZPRCP-CQSZACIVSA-N 1 2 339.399 3.765 50 0 EHAALO Cn1cc[nH+]c1CNC(=O)Nc1c(F)cc(F)cc1-c1ccccc1 ZINC000084331630 564067805 /nfs/dbraw/zinc/06/78/05/564067805.db2.gz QPBQSMXTBWEOFT-UHFFFAOYSA-N 1 2 342.349 3.687 50 0 EHAALO Cc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000012910926 564077903 /nfs/dbraw/zinc/07/79/03/564077903.db2.gz ZBWYZPZJBDUTPK-CABCVRRESA-N 1 2 328.481 3.853 50 0 EHAALO Cc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000012910926 564077904 /nfs/dbraw/zinc/07/79/04/564077904.db2.gz ZBWYZPZJBDUTPK-CABCVRRESA-N 1 2 328.481 3.853 50 0 EHAALO Cc1cc2[nH+]cn(C[C@H](O)CSc3ccc(O)cc3)c2cc1C ZINC000064039309 564083746 /nfs/dbraw/zinc/08/37/46/564083746.db2.gz YYQFNVLZWBTMMU-HNNXBMFYSA-N 1 2 328.437 3.512 50 0 EHAALO CCOc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)CC2 ZINC000242339296 564088483 /nfs/dbraw/zinc/08/84/83/564088483.db2.gz ZGQBSWBLSUUESJ-JXXFODFXSA-N 1 2 344.499 3.527 50 0 EHAALO CCOc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)CC2 ZINC000242339296 564088484 /nfs/dbraw/zinc/08/84/84/564088484.db2.gz ZGQBSWBLSUUESJ-JXXFODFXSA-N 1 2 344.499 3.527 50 0 EHAALO COCCC[C@@H]1CCCCN1C(=O)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000426387065 564093551 /nfs/dbraw/zinc/09/35/51/564093551.db2.gz IVSDYWPZNQWREZ-SFHVURJKSA-N 1 2 341.455 3.508 50 0 EHAALO CCC[C@@H](NC(=O)N(CCC)Cc1[nH+]ccn1C)c1ccccc1 ZINC000426549847 564094104 /nfs/dbraw/zinc/09/41/04/564094104.db2.gz AGAWUIMMJNFKPG-QGZVFWFLSA-N 1 2 328.460 3.883 50 0 EHAALO O=C(Cc1cccc2ccccc21)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000240068152 564108673 /nfs/dbraw/zinc/10/86/73/564108673.db2.gz SKHYHVDFCRNNLU-UHFFFAOYSA-N 1 2 346.430 3.847 50 0 EHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2cnc3ccsc3c2)c1C ZINC000076041562 564114787 /nfs/dbraw/zinc/11/47/87/564114787.db2.gz YNYNHSUEANQRIL-UHFFFAOYSA-N 1 2 341.436 3.589 50 0 EHAALO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccnn1C1CCCCC1 ZINC000076070238 564115354 /nfs/dbraw/zinc/11/53/54/564115354.db2.gz RBUWTCQVDJRWPJ-UHFFFAOYSA-N 1 2 344.463 3.563 50 0 EHAALO CCN(C(=O)Cc1ccc(NCc2[nH+]ccn2C)cc1)c1ccccc1 ZINC000089969511 564115949 /nfs/dbraw/zinc/11/59/49/564115949.db2.gz WCRTVELCVZGYLS-UHFFFAOYSA-N 1 2 348.450 3.628 50 0 EHAALO CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1[nH+]cc2ccccn21 ZINC000017046854 564116233 /nfs/dbraw/zinc/11/62/33/564116233.db2.gz BEZPFHJVZIQKCE-CYBMUJFWSA-N 1 2 339.420 3.656 50 0 EHAALO CCCCOc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000017270916 564116866 /nfs/dbraw/zinc/11/68/66/564116866.db2.gz DLKJFOBEKJRMDN-UHFFFAOYSA-N 1 2 345.468 3.562 50 0 EHAALO CCCCOc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000017270916 564116867 /nfs/dbraw/zinc/11/68/67/564116867.db2.gz DLKJFOBEKJRMDN-UHFFFAOYSA-N 1 2 345.468 3.562 50 0 EHAALO COc1ccccc1Nc1nnc(SCc2cc[nH+]c(N)c2)s1 ZINC000193056492 564118370 /nfs/dbraw/zinc/11/83/70/564118370.db2.gz HKCVILLGCKAWGB-UHFFFAOYSA-N 1 2 345.453 3.560 50 0 EHAALO CN(C(=O)NCCC1=CCCCC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000066173661 564124925 /nfs/dbraw/zinc/12/49/25/564124925.db2.gz RRBVTTKIJLMARR-UHFFFAOYSA-N 1 2 342.487 3.582 50 0 EHAALO Cc1cc(N[C@@H](c2nccn2C)c2cccc(F)c2)nc(C2CC2)[nH+]1 ZINC000253426991 564131151 /nfs/dbraw/zinc/13/11/51/564131151.db2.gz UJDCXAYYPSFEHF-QGZVFWFLSA-N 1 2 337.402 3.737 50 0 EHAALO CCCC[C@H]([NH2+][C@@H](C)c1csc(C)n1)C(=O)Nc1cc(C)on1 ZINC000079030754 564137726 /nfs/dbraw/zinc/13/77/26/564137726.db2.gz CXMPSENTPSYDLB-AAEUAGOBSA-N 1 2 336.461 3.596 50 0 EHAALO O=C(c1ccccc1Br)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000096403427 564147169 /nfs/dbraw/zinc/14/71/69/564147169.db2.gz UVHAJKIWBYZOAR-ZDUSSCGKSA-N 1 2 334.217 3.540 50 0 EHAALO COc1ccc(-c2nn(C[NH+]3CCCC3)c(=S)n2CC(C)C)cc1 ZINC000003243760 564156515 /nfs/dbraw/zinc/15/65/15/564156515.db2.gz DABMDQFPELRHNW-UHFFFAOYSA-N 1 2 346.500 3.799 50 0 EHAALO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000355013962 564159236 /nfs/dbraw/zinc/15/92/36/564159236.db2.gz JLWJAZXXKPBDFQ-JTQLQIEISA-N 1 2 338.238 3.795 50 0 EHAALO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000355013962 564159237 /nfs/dbraw/zinc/15/92/37/564159237.db2.gz JLWJAZXXKPBDFQ-JTQLQIEISA-N 1 2 338.238 3.795 50 0 EHAALO C[N@@H+](Cc1ccc2ccccc2c1)Cn1nnc(-c2ccccc2)n1 ZINC000007987098 564161880 /nfs/dbraw/zinc/16/18/80/564161880.db2.gz HIPPVNJQXIULCY-UHFFFAOYSA-N 1 2 329.407 3.583 50 0 EHAALO C[N@H+](Cc1ccc2ccccc2c1)Cn1nnc(-c2ccccc2)n1 ZINC000007987098 564161881 /nfs/dbraw/zinc/16/18/81/564161881.db2.gz HIPPVNJQXIULCY-UHFFFAOYSA-N 1 2 329.407 3.583 50 0 EHAALO CCN(Cc1ccoc1)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000069451344 564169599 /nfs/dbraw/zinc/16/95/99/564169599.db2.gz QIIHVFDPTYJYMB-OAHLLOKOSA-N 1 2 338.411 3.758 50 0 EHAALO c1cc(-c2nc(CN3CCc4c([nH+]cn4C4CC4)C3)cs2)cs1 ZINC000069460092 564169720 /nfs/dbraw/zinc/16/97/20/564169720.db2.gz QSXDUAQZWDEZGU-UHFFFAOYSA-N 1 2 342.493 3.961 50 0 EHAALO C[C@@H](C(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000069512056 564170023 /nfs/dbraw/zinc/17/00/23/564170023.db2.gz PGTOOXIAVYPKAI-LBPRGKRZSA-N 1 2 339.361 3.557 50 0 EHAALO O=C(NCCc1[nH+]ccn1C(F)F)N[C@@H](c1ccccc1)C1CCC1 ZINC000069583970 564170677 /nfs/dbraw/zinc/17/06/77/564170677.db2.gz NVCOKISHUJSGKV-INIZCTEOSA-N 1 2 348.397 3.661 50 0 EHAALO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1sccc1OC(F)F ZINC000069618936 564170935 /nfs/dbraw/zinc/17/09/35/564170935.db2.gz WTANMDGMWICZJU-UHFFFAOYSA-N 1 2 335.335 3.992 50 0 EHAALO Cc1c[nH+]ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000069619547 564170954 /nfs/dbraw/zinc/17/09/54/564170954.db2.gz LJMMFDRFABGQAK-INIZCTEOSA-N 1 2 341.411 3.595 50 0 EHAALO Cc1cccc2[nH+]c(CSc3nnc(C4CC4)n3C3CC3)cn21 ZINC000069657561 564171252 /nfs/dbraw/zinc/17/12/52/564171252.db2.gz UCVORUKZMVLQCI-UHFFFAOYSA-N 1 2 325.441 3.739 50 0 EHAALO CCc1nnc([C@H](C)N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)o1 ZINC000069664347 564171365 /nfs/dbraw/zinc/17/13/65/564171365.db2.gz PMIAIBNJZQABER-KGLIPLIRSA-N 1 2 348.878 3.725 50 0 EHAALO CC(C)Cc1nnc([C@@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)o1 ZINC000069968021 564172917 /nfs/dbraw/zinc/17/29/17/564172917.db2.gz UKFIPLBPUQSCOT-BEFAXECRSA-N 1 2 343.471 3.775 50 0 EHAALO c1csc(-c2nc(C[N@H+]3CCCC[C@@H]3Cn3cncn3)cs2)c1 ZINC000071876196 564176208 /nfs/dbraw/zinc/17/62/08/564176208.db2.gz ODUGJNGODUBIOT-CQSZACIVSA-N 1 2 345.497 3.518 50 0 EHAALO c1csc(-c2nc(C[N@@H+]3CCCC[C@@H]3Cn3cncn3)cs2)c1 ZINC000071876196 564176209 /nfs/dbraw/zinc/17/62/09/564176209.db2.gz ODUGJNGODUBIOT-CQSZACIVSA-N 1 2 345.497 3.518 50 0 EHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc3c(cccc3F)[nH]2)c1C ZINC000195000608 1035416174 /nfs/dbraw/zinc/41/61/74/1035416174.db2.gz VYDUQNAJERLFKK-UHFFFAOYSA-N 1 2 341.386 3.600 50 0 EHAALO O=C(NCc1cccs1)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000827647331 1131391345 /nfs/dbraw/zinc/39/13/45/1131391345.db2.gz BHUNXYJEYGSJSR-KRWDZBQOSA-N 1 2 332.444 3.731 50 0 EHAALO Cc1c[nH+]c(C2CN(C(=O)C3CCCCC3)C2)n1Cc1ccccc1 ZINC000581812622 1132366343 /nfs/dbraw/zinc/36/63/43/1132366343.db2.gz CWEDLZKMZSATLQ-UHFFFAOYSA-N 1 2 337.467 3.746 50 0 EHAALO Cc1ccccc1-c1cc(NCc2csc(C[NH+](C)C)n2)n(C)n1 ZINC000585118562 1137009453 /nfs/dbraw/zinc/00/94/53/1137009453.db2.gz UIQZLPRSWSRMMN-UHFFFAOYSA-N 1 2 341.484 3.526 50 0 EHAALO CC(C)Oc1cccc(C(=O)NCc2cc[nH+]c(N(C)C)c2)c1Cl ZINC000952876117 1137483279 /nfs/dbraw/zinc/48/32/79/1137483279.db2.gz AJIXHTRXEGJNBF-UHFFFAOYSA-N 1 2 347.846 3.518 50 0 EHAALO COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1C ZINC000050447997 214057280 /nfs/dbraw/zinc/05/72/80/214057280.db2.gz MERMRANSOAKBKF-QWHCGFSZSA-N 1 2 344.377 3.692 50 0 EHAALO Cc1cc(C[N@H+](Cc2sccc2C)Cc2ccccn2)n(C)n1 ZINC000055253553 214296264 /nfs/dbraw/zinc/29/62/64/214296264.db2.gz AIFSXXFRBUKOFA-UHFFFAOYSA-N 1 2 326.469 3.696 50 0 EHAALO Cc1cc(C[N@@H+](Cc2sccc2C)Cc2ccccn2)n(C)n1 ZINC000055253553 214296267 /nfs/dbraw/zinc/29/62/67/214296267.db2.gz AIFSXXFRBUKOFA-UHFFFAOYSA-N 1 2 326.469 3.696 50 0 EHAALO C[C@@H](C(=O)Nc1ccc(F)c(NC(=O)OC(C)(C)C)c1)n1cc[nH+]c1 ZINC000056482973 214377290 /nfs/dbraw/zinc/37/72/90/214377290.db2.gz JDQAMWXDJNCRGX-NSHDSACASA-N 1 2 348.378 3.569 50 0 EHAALO C[N@H+](Cc1nc2ccccc2s1)Cc1ccc2c(c1)OCCO2 ZINC000056669263 214383300 /nfs/dbraw/zinc/38/33/00/214383300.db2.gz NUPNKUXNUPBLOI-UHFFFAOYSA-N 1 2 326.421 3.700 50 0 EHAALO C[N@@H+](Cc1nc2ccccc2s1)Cc1ccc2c(c1)OCCO2 ZINC000056669263 214383303 /nfs/dbraw/zinc/38/33/03/214383303.db2.gz NUPNKUXNUPBLOI-UHFFFAOYSA-N 1 2 326.421 3.700 50 0 EHAALO COC(=O)c1cc(Nc2ccc([NH+](C)C)cc2)c2cccc(F)c2n1 ZINC000056986968 214398972 /nfs/dbraw/zinc/39/89/72/214398972.db2.gz ZMWZZYFTYIUJIU-UHFFFAOYSA-N 1 2 339.370 3.970 50 0 EHAALO c1nn(-c2ccccc2)c2nc[nH+]c(SCCOc3ccccc3)c12 ZINC000003376940 210022883 /nfs/dbraw/zinc/02/28/83/210022883.db2.gz GFIXIVBZSNDAEN-UHFFFAOYSA-N 1 2 348.431 3.987 50 0 EHAALO NC(=O)c1ccc(-c2[nH+]ccn2CCc2ccccc2Cl)cc1 ZINC000067560688 215162712 /nfs/dbraw/zinc/16/27/12/215162712.db2.gz IUUWOAMNIRHVPN-UHFFFAOYSA-N 1 2 325.799 3.545 50 0 EHAALO c1cn(CCCn2cc[nH+]c2)c(-c2ccc([C@H]3CCCCO3)o2)n1 ZINC000067740202 215199349 /nfs/dbraw/zinc/19/93/49/215199349.db2.gz FSTTZGPBSRKDOA-OAHLLOKOSA-N 1 2 326.400 3.672 50 0 EHAALO Fc1cccc([C@@H]2c3[nH]c[nH+]c3CCN2Cc2ccc(F)c(F)c2)c1 ZINC000067742358 215200088 /nfs/dbraw/zinc/20/00/88/215200088.db2.gz MBYJGSURPDGSGU-LJQANCHMSA-N 1 2 343.352 3.975 50 0 EHAALO C[NH+](C)Cc1noc(-c2cccc(NCc3ccc(F)cc3)c2)n1 ZINC000067787835 215212334 /nfs/dbraw/zinc/21/23/34/215212334.db2.gz ZNVUVMHZNVEGRJ-UHFFFAOYSA-N 1 2 326.375 3.549 50 0 EHAALO COc1ccc(-c2nccn2CCCn2cc[nH+]c2)c2ccccc12 ZINC000067805580 215218724 /nfs/dbraw/zinc/21/87/24/215218724.db2.gz JKWVLMPLFMZKTH-UHFFFAOYSA-N 1 2 332.407 3.999 50 0 EHAALO Cc1ccc2[nH]c(=O)c(C[N@H+](C)Cc3cccnc3Cl)cc2c1 ZINC000067868958 215236567 /nfs/dbraw/zinc/23/65/67/215236567.db2.gz NYBGWUQUYCWZAG-UHFFFAOYSA-N 1 2 327.815 3.517 50 0 EHAALO Cc1ccc2[nH]c(=O)c(C[N@@H+](C)Cc3cccnc3Cl)cc2c1 ZINC000067868958 215236568 /nfs/dbraw/zinc/23/65/68/215236568.db2.gz NYBGWUQUYCWZAG-UHFFFAOYSA-N 1 2 327.815 3.517 50 0 EHAALO C[C@@H](c1nc(C2CC2)no1)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000069386878 215397163 /nfs/dbraw/zinc/39/71/63/215397163.db2.gz MSNIKQNTMWUDEF-KBPBESRZSA-N 1 2 344.434 3.526 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCC1CCCC1)c1ccccc1F ZINC000040475584 213311396 /nfs/dbraw/zinc/31/13/96/213311396.db2.gz NEUNBSYXRNIQNX-SFHVURJKSA-N 1 2 329.419 3.735 50 0 EHAALO C[C@H](NC(=O)N(C)Cc1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040024107 213251160 /nfs/dbraw/zinc/25/11/60/213251160.db2.gz JKYDOGJAWQSRRP-AWEZNQCLSA-N 1 2 340.452 3.836 50 0 EHAALO c1c2ccccc2oc1-c1nn2c(C[NH+]3CCCCC3)nnc2s1 ZINC000039389261 213236807 /nfs/dbraw/zinc/23/68/07/213236807.db2.gz VVFWMWSAEJKZCO-UHFFFAOYSA-N 1 2 339.424 3.585 50 0 EHAALO Cn1ncc2c1nc[nH+]c2SCCOc1ccc2ccccc2c1 ZINC000036397055 213096880 /nfs/dbraw/zinc/09/68/80/213096880.db2.gz QDPWYGVOTHFHPF-UHFFFAOYSA-N 1 2 336.420 3.688 50 0 EHAALO COc1ccccc1OC1CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000072145160 216032710 /nfs/dbraw/zinc/03/27/10/216032710.db2.gz ONRHAMGHSRJXMV-UHFFFAOYSA-N 1 2 329.444 3.516 50 0 EHAALO Fc1cc(C[NH2+]C2(c3nccs3)CCCC2)c2c(c1)COCO2 ZINC000072308879 216145296 /nfs/dbraw/zinc/14/52/96/216145296.db2.gz PCCMBMCJCKGIQX-UHFFFAOYSA-N 1 2 334.416 3.708 50 0 EHAALO COc1ccc2cc([C@@H]3CN(c4cc(C)[nH+]cn4)CCO3)ccc2c1 ZINC000072424211 216213069 /nfs/dbraw/zinc/21/30/69/216213069.db2.gz VZPMJFQGIYUQAM-IBGZPJMESA-N 1 2 335.407 3.525 50 0 EHAALO CCCn1ccnc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1sccc1C ZINC000072428548 216219347 /nfs/dbraw/zinc/21/93/47/216219347.db2.gz UWQFZQSWLLCDPU-KRWDZBQOSA-N 1 2 341.484 3.534 50 0 EHAALO Cc1cc(NCCCc2[nH]c3c(ccc(C)c3C)[nH+]2)n2nccc2n1 ZINC000072428702 216220772 /nfs/dbraw/zinc/22/07/72/216220772.db2.gz JSQLFNQDFLYENW-UHFFFAOYSA-N 1 2 334.427 3.576 50 0 EHAALO CSc1nc2sc3c(c2c(SC)n1)CC(C)(C)[N@@H+](C)C3 ZINC000020814058 212174048 /nfs/dbraw/zinc/17/40/48/212174048.db2.gz LVKLPIYSIKAQOA-UHFFFAOYSA-N 1 2 325.528 3.902 50 0 EHAALO CSc1nc2sc3c(c2c(SC)n1)CC(C)(C)[N@H+](C)C3 ZINC000020814058 212174052 /nfs/dbraw/zinc/17/40/52/212174052.db2.gz LVKLPIYSIKAQOA-UHFFFAOYSA-N 1 2 325.528 3.902 50 0 EHAALO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000020367783 212123306 /nfs/dbraw/zinc/12/33/06/212123306.db2.gz RECCUOWCVGNCLZ-UHFFFAOYSA-N 1 2 343.858 3.998 50 0 EHAALO CCn1c[nH+]c2cc(NS(=O)(=O)c3ccc(SC)cc3)ccc21 ZINC000020215446 212112644 /nfs/dbraw/zinc/11/26/44/212112644.db2.gz CVSZHPNRQLHYJY-UHFFFAOYSA-N 1 2 347.465 3.579 50 0 EHAALO Cc1ccc([C@@H](c2c(O)[nH]c(=S)[nH]c2=O)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020156060 212107788 /nfs/dbraw/zinc/10/77/88/212107788.db2.gz LNLRSZDMUBBIOC-WFASDCNBSA-N 1 2 345.468 3.680 50 0 EHAALO Cc1ccc([C@@H](c2c(O)[nH]c(=S)[nH]c2=O)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020156060 212107791 /nfs/dbraw/zinc/10/77/91/212107791.db2.gz LNLRSZDMUBBIOC-WFASDCNBSA-N 1 2 345.468 3.680 50 0 EHAALO CCOc1ccc(CN2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000019842263 212075598 /nfs/dbraw/zinc/07/55/98/212075598.db2.gz RSLCLOWEZGLQGV-UHFFFAOYSA-N 1 2 328.431 3.542 50 0 EHAALO CCc1ccc(C2N3CC4(C(C)C)C[NH+]2CC(C(C)C)(C3)C4=O)cc1 ZINC000019323353 212015434 /nfs/dbraw/zinc/01/54/34/212015434.db2.gz VXDHDVVDIRPQFF-UHFFFAOYSA-N 1 2 340.511 3.746 50 0 biogenic EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1F)c1ccc(Cl)cc1 ZINC000012506637 211394965 /nfs/dbraw/zinc/39/49/65/211394965.db2.gz ISAZKRRBYIOBIJ-MRXNPFEDSA-N 1 2 343.789 3.732 50 0 EHAALO O=C(C[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1[nH]cc[nH+]1 ZINC000012447595 211386800 /nfs/dbraw/zinc/38/68/00/211386800.db2.gz PDZHDVBQORINCM-QGZVFWFLSA-N 1 2 339.826 3.902 50 0 EHAALO c1csc(-c2noc(C[N@@H+]3CCCC[C@H]3c3cccnc3)n2)c1 ZINC000012204647 211319962 /nfs/dbraw/zinc/31/99/62/211319962.db2.gz GSQMPOJXZZVNIT-AWEZNQCLSA-N 1 2 326.425 3.920 50 0 EHAALO c1csc(-c2noc(C[N@H+]3CCCC[C@H]3c3cccnc3)n2)c1 ZINC000012204647 211319964 /nfs/dbraw/zinc/31/99/64/211319964.db2.gz GSQMPOJXZZVNIT-AWEZNQCLSA-N 1 2 326.425 3.920 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cccc(C)c2C)C1 ZINC000091625625 218034189 /nfs/dbraw/zinc/03/41/89/218034189.db2.gz RIKNBHQUMBNOEX-MRXNPFEDSA-N 1 2 326.444 3.931 50 0 EHAALO C[C@H]1CCC[C@H](OCc2cccc(NC(=O)NCc3[nH]cc[nH+]3)c2)C1 ZINC000092030679 218106433 /nfs/dbraw/zinc/10/64/33/218106433.db2.gz FSOSIRQFYGRNJP-YOEHRIQHSA-N 1 2 342.443 3.827 50 0 EHAALO Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)c12 ZINC000010896807 211194856 /nfs/dbraw/zinc/19/48/56/211194856.db2.gz AKRXEHOTMIGTHE-UHFFFAOYSA-N 1 2 347.378 3.846 50 0 EHAALO Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc4[nH+]c(C)[nH]c4c3)c12 ZINC000010896807 211194861 /nfs/dbraw/zinc/19/48/61/211194861.db2.gz AKRXEHOTMIGTHE-UHFFFAOYSA-N 1 2 347.378 3.846 50 0 EHAALO Cc1cc(Br)c(NC(=O)C[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000009996383 211139355 /nfs/dbraw/zinc/13/93/55/211139355.db2.gz ORDCDLFOUVDDAX-LLVKDONJSA-N 1 2 339.277 3.736 50 0 EHAALO Cc1cc(Br)c(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000009996383 211139357 /nfs/dbraw/zinc/13/93/57/211139357.db2.gz ORDCDLFOUVDDAX-LLVKDONJSA-N 1 2 339.277 3.736 50 0 EHAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000009573274 211102519 /nfs/dbraw/zinc/10/25/19/211102519.db2.gz USHKQCCKMBMUJR-UHFFFAOYSA-N 1 2 327.432 3.945 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000009685396 211113034 /nfs/dbraw/zinc/11/30/34/211113034.db2.gz CSWPGEBMEOFGPV-GOSISDBHSA-N 1 2 331.375 3.686 50 0 EHAALO CC(=O)Nc1ccccc1C[N@@H+]1CCSC[C@H]1c1ccc(C)o1 ZINC000093819138 218252978 /nfs/dbraw/zinc/25/29/78/218252978.db2.gz KVIIHFZWYCQTEJ-KRWDZBQOSA-N 1 2 330.453 3.837 50 0 EHAALO CC(=O)Nc1ccccc1C[N@H+]1CCSC[C@H]1c1ccc(C)o1 ZINC000093819138 218252981 /nfs/dbraw/zinc/25/29/81/218252981.db2.gz KVIIHFZWYCQTEJ-KRWDZBQOSA-N 1 2 330.453 3.837 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc2c1O[C@H](C)[C@H]2C ZINC000009155887 211046013 /nfs/dbraw/zinc/04/60/13/211046013.db2.gz RBTMCNBGWATXAB-ZIAGYGMSSA-N 1 2 349.434 3.659 50 0 EHAALO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1Cc2ccccc2C1 ZINC000095399944 218333457 /nfs/dbraw/zinc/33/34/57/218333457.db2.gz LKKAEFAUBHOXKI-UHFFFAOYSA-N 1 2 348.406 3.510 50 0 EHAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc2ccccc2c1 ZINC000054529694 132191346 /nfs/dbraw/zinc/19/13/46/132191346.db2.gz QMLIEVIGRVRWMT-UHFFFAOYSA-N 1 2 345.446 3.601 50 0 EHAALO Cc1ccccc1N1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000057338474 132199645 /nfs/dbraw/zinc/19/96/45/132199645.db2.gz KYAUARDJAIDEFD-KRWDZBQOSA-N 1 2 348.450 3.928 50 0 EHAALO O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000171354576 227034587 /nfs/dbraw/zinc/03/45/87/227034587.db2.gz TZRVOIMUHIQPFV-KRWDZBQOSA-N 1 2 344.846 3.571 50 0 EHAALO COc1ccccc1-c1ncc(C[N@H+](C)[C@H](C)c2ccncn2)s1 ZINC000215011439 536972866 /nfs/dbraw/zinc/97/28/66/536972866.db2.gz FJIZICVGRSEPSU-CYBMUJFWSA-N 1 2 340.452 3.802 50 0 EHAALO COc1ccccc1-c1ncc(C[N@@H+](C)[C@H](C)c2ccncn2)s1 ZINC000215011439 536972868 /nfs/dbraw/zinc/97/28/68/536972868.db2.gz FJIZICVGRSEPSU-CYBMUJFWSA-N 1 2 340.452 3.802 50 0 EHAALO CCCCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NC(C)C)C1 ZINC000034910003 563482005 /nfs/dbraw/zinc/48/20/05/563482005.db2.gz HLWBRHKUVPXMIQ-INIZCTEOSA-N 1 2 342.487 3.577 50 0 EHAALO Cc1ccccc1[C@H](CC(=O)NCc1[nH+]ccn1C)c1ccccc1 ZINC000012444581 563661175 /nfs/dbraw/zinc/66/11/75/563661175.db2.gz ZYFSIPNVTMBRCW-LJQANCHMSA-N 1 2 333.435 3.567 50 0 EHAALO Cc1[nH]ncc1C[NH2+]Cc1ccc(OC(C)C)cc1C(F)(F)F ZINC000071924612 563667473 /nfs/dbraw/zinc/66/74/73/563667473.db2.gz LSGTXLJEHGDFLA-UHFFFAOYSA-N 1 2 327.350 3.814 50 0 EHAALO Cc1ccc([C@@H]([NH2+][C@@H](C(N)=O)c2ccccc2)c2ccccc2)cc1 ZINC000012981808 563681564 /nfs/dbraw/zinc/68/15/64/563681564.db2.gz HYRDOQAHVODSKV-LEWJYISDSA-N 1 2 330.431 3.901 50 0 EHAALO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1ccc2c(c1)OCCO2 ZINC000032679650 563681661 /nfs/dbraw/zinc/68/16/61/563681661.db2.gz SXFBZGAFWCDSGW-AWEZNQCLSA-N 1 2 336.391 3.964 50 0 EHAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000016443118 563811264 /nfs/dbraw/zinc/81/12/64/563811264.db2.gz FPUBESHDIAGSEG-UHFFFAOYSA-N 1 2 344.842 3.654 50 0 EHAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000016443118 563811267 /nfs/dbraw/zinc/81/12/67/563811267.db2.gz FPUBESHDIAGSEG-UHFFFAOYSA-N 1 2 344.842 3.654 50 0 EHAALO Cc1cc(C)cc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000016903725 563825584 /nfs/dbraw/zinc/82/55/84/563825584.db2.gz NEMHDDDDKNOAFC-QGZVFWFLSA-N 1 2 336.435 3.970 50 0 EHAALO C[C@H](C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)n1cc[nH+]c1 ZINC000032928387 563836330 /nfs/dbraw/zinc/83/63/30/563836330.db2.gz PXXLBCADKYDNFV-GFCCVEGCSA-N 1 2 329.787 3.674 50 0 EHAALO O=C(c1cc2ccccc2s1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000024279315 563870220 /nfs/dbraw/zinc/87/02/20/563870220.db2.gz LKOXIISYZAJSRD-UHFFFAOYSA-N 1 2 342.489 3.921 50 0 EHAALO O=C1c2cccc3cccc(c23)N1C[NH+]1CCN(c2ccccc2)CC1 ZINC000024303306 563870382 /nfs/dbraw/zinc/87/03/82/563870382.db2.gz HHLXWWGXRNICGT-UHFFFAOYSA-N 1 2 343.430 3.580 50 0 EHAALO CCc1noc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)n1 ZINC000026370502 563891171 /nfs/dbraw/zinc/89/11/71/563891171.db2.gz FKIQPSYVIIAVKL-UHFFFAOYSA-N 1 2 328.441 3.621 50 0 EHAALO C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCN(c2ccccc2)CC1 ZINC000026808329 563893349 /nfs/dbraw/zinc/89/33/49/563893349.db2.gz TWFJDZAGCMTHDS-AWEZNQCLSA-N 1 2 340.452 3.681 50 0 EHAALO O=C(N[C@@H]([NH2+]C1CCCCC1)C(=O)c1ccccc1)c1ccccc1 ZINC000026967046 563894018 /nfs/dbraw/zinc/89/40/18/563894018.db2.gz AIKWVPAHKZLFCQ-HXUWFJFHSA-N 1 2 336.435 3.548 50 0 EHAALO C[C@H](C(=O)NC1CCCCCC1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000027541582 563896696 /nfs/dbraw/zinc/89/66/96/563896696.db2.gz GDGWNKDBMZSWOQ-CQSZACIVSA-N 1 2 345.512 3.956 50 0 EHAALO C[C@H](C(=O)NC1CCCCCC1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000027541582 563896697 /nfs/dbraw/zinc/89/66/97/563896697.db2.gz GDGWNKDBMZSWOQ-CQSZACIVSA-N 1 2 345.512 3.956 50 0 EHAALO CCOc1cc(/C=C2\[C@H](O)C3CC[NH+]2CC3)cc(Cl)c1OCC ZINC000004870188 563919022 /nfs/dbraw/zinc/91/90/22/563919022.db2.gz HDBLETFAKODFPF-IUYQLWOBSA-N 1 2 337.847 3.565 50 0 EHAALO O=C(NCCCCn1cc[nH+]c1)c1ccccc1Oc1ccccc1 ZINC000058162409 563938499 /nfs/dbraw/zinc/93/84/99/563938499.db2.gz PQPRCDDDLMQMTN-UHFFFAOYSA-N 1 2 335.407 3.886 50 0 EHAALO O=C(NCc1ccc[nH+]c1N1CCCCC1)c1c(F)cccc1Cl ZINC000058280414 563941432 /nfs/dbraw/zinc/94/14/32/563941432.db2.gz XPOWRVIGZRWWFQ-UHFFFAOYSA-N 1 2 347.821 3.794 50 0 EHAALO CCc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc(CCOC)no2)o1 ZINC000096417461 563951277 /nfs/dbraw/zinc/95/12/77/563951277.db2.gz BTCPQDWRPWYQIP-OAHLLOKOSA-N 1 2 333.432 3.531 50 0 EHAALO CCc1ccc([C@H]2CCCCC[N@H+]2Cc2nc(CCOC)no2)o1 ZINC000096417461 563951278 /nfs/dbraw/zinc/95/12/78/563951278.db2.gz BTCPQDWRPWYQIP-OAHLLOKOSA-N 1 2 333.432 3.531 50 0 EHAALO CC[NH+](CC)Cc1nnc2sc(/C=C/c3ccccc3Cl)nn12 ZINC000065364324 563958249 /nfs/dbraw/zinc/95/82/49/563958249.db2.gz NANCRPBHYHQFRA-MDZDMXLPSA-N 1 2 347.875 3.851 50 0 EHAALO CC(C)CCNC(=O)[C@@H]1CCCN(c2[nH]c3ccc(Cl)cc3[nH+]2)C1 ZINC000033071448 563963380 /nfs/dbraw/zinc/96/33/80/563963380.db2.gz UCXLXGNLWPNTNL-CYBMUJFWSA-N 1 2 348.878 3.595 50 0 EHAALO COc1cccc(-c2[nH+]ccn2CCc2scnc2C)c1OC ZINC000071499238 563964505 /nfs/dbraw/zinc/96/45/05/563964505.db2.gz PYTNFTMBNQBLOS-UHFFFAOYSA-N 1 2 329.425 3.575 50 0 EHAALO Cc1nc(-c2cccc(-n3cc[nH+]c3[C@H]3CCOC(C)(C)C3)c2)n[nH]1 ZINC000071748948 563965048 /nfs/dbraw/zinc/96/50/48/563965048.db2.gz XIPNYCQZPUACPF-HNNXBMFYSA-N 1 2 337.427 3.638 50 0 EHAALO Cn1c(SCCCn2cc[nH+]c2)nnc1-c1cccc(Cl)c1 ZINC000097114266 563967970 /nfs/dbraw/zinc/96/79/70/563967970.db2.gz LHHXDCJWENSFPN-UHFFFAOYSA-N 1 2 333.848 3.514 50 0 EHAALO Cc1nnc(C[N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000175932442 563971042 /nfs/dbraw/zinc/97/10/42/563971042.db2.gz QQYSLHNUCWXXGG-GFCCVEGCSA-N 1 2 342.226 3.728 50 0 EHAALO Cc1nnc(C[N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000175932442 563971043 /nfs/dbraw/zinc/97/10/43/563971043.db2.gz QQYSLHNUCWXXGG-GFCCVEGCSA-N 1 2 342.226 3.728 50 0 EHAALO Clc1ccc2cccnc2c1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000097199954 563973265 /nfs/dbraw/zinc/97/32/65/563973265.db2.gz FETIOFQTQRHTDU-HNNXBMFYSA-N 1 2 345.855 3.918 50 0 EHAALO Clc1ccc2cccnc2c1C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000097199954 563973266 /nfs/dbraw/zinc/97/32/66/563973266.db2.gz FETIOFQTQRHTDU-HNNXBMFYSA-N 1 2 345.855 3.918 50 0 EHAALO CCCCn1cc[nH+]c1C1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000095503258 563977104 /nfs/dbraw/zinc/97/71/04/563977104.db2.gz PQKLLUCPQVPBDD-UHFFFAOYSA-N 1 2 331.382 3.732 50 0 EHAALO O=C(C[C@@H](c1ccco1)c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000095513192 563977272 /nfs/dbraw/zinc/97/72/72/563977272.db2.gz YFMOLWXGDZSOCN-GOSISDBHSA-N 1 2 349.434 3.931 50 0 EHAALO COc1ccc2c(c1)OC[C@H](Cc1ccc(Cn3cc[nH+]c3)cc1)C2 ZINC000095522587 563977401 /nfs/dbraw/zinc/97/74/01/563977401.db2.gz OAULZINKFKFQPL-GOSISDBHSA-N 1 2 334.419 3.734 50 0 EHAALO O=C([C@@H]1CCc2ccccc21)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095523730 563977409 /nfs/dbraw/zinc/97/74/09/563977409.db2.gz ZSWHYROSRDJCSW-HXUWFJFHSA-N 1 2 349.478 3.729 50 0 EHAALO Cc1cc(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)c(C)o1 ZINC000095526496 563977483 /nfs/dbraw/zinc/97/74/83/563977483.db2.gz HIWWXCQYEXEICH-UHFFFAOYSA-N 1 2 341.455 3.913 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2cccn2C)c1C ZINC000248157393 563995394 /nfs/dbraw/zinc/99/53/94/563995394.db2.gz WCFKXMADLVLUML-YOEHRIQHSA-N 1 2 341.455 3.581 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H]2c2cccn2C)c1C ZINC000248157393 563995395 /nfs/dbraw/zinc/99/53/95/563995395.db2.gz WCFKXMADLVLUML-YOEHRIQHSA-N 1 2 341.455 3.581 50 0 EHAALO O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000252482483 563997719 /nfs/dbraw/zinc/99/77/19/563997719.db2.gz DGRYJRSEINHSOG-HKUYNNGSSA-N 1 2 349.409 3.875 50 0 EHAALO O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000252482483 563997720 /nfs/dbraw/zinc/99/77/20/563997720.db2.gz DGRYJRSEINHSOG-HKUYNNGSSA-N 1 2 349.409 3.875 50 0 EHAALO Cc1csc([C@H]2C[N@H+](CCCc3nc4ccccc4o3)CCO2)n1 ZINC000065463442 563998231 /nfs/dbraw/zinc/99/82/31/563998231.db2.gz VEEZLNYSBUNBJJ-MRXNPFEDSA-N 1 2 343.452 3.599 50 0 EHAALO Cc1csc([C@H]2C[N@@H+](CCCc3nc4ccccc4o3)CCO2)n1 ZINC000065463442 563998232 /nfs/dbraw/zinc/99/82/32/563998232.db2.gz VEEZLNYSBUNBJJ-MRXNPFEDSA-N 1 2 343.452 3.599 50 0 EHAALO C[C@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)C1 ZINC000000536021 564022133 /nfs/dbraw/zinc/02/21/33/564022133.db2.gz ZEOJNTJQBFWIBL-LBPRGKRZSA-N 1 2 327.819 3.705 50 0 EHAALO O=C(Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)c1ccccn1 ZINC000032960634 564036344 /nfs/dbraw/zinc/03/63/44/564036344.db2.gz AFCJNEHGTNSSCB-UHFFFAOYSA-N 1 2 342.402 3.995 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C1CC1 ZINC000223247513 564039403 /nfs/dbraw/zinc/03/94/03/564039403.db2.gz OQSNSHHDMKPLFI-IBGZPJMESA-N 1 2 348.450 3.661 50 0 EHAALO Cc1cc(C)c(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)o1 ZINC000081933110 564053225 /nfs/dbraw/zinc/05/32/25/564053225.db2.gz AEBQTPGVZDRCNR-UHFFFAOYSA-N 1 2 337.423 3.656 50 0 EHAALO COCC[N@@H+](Cc1cn2ccc(C)cc2n1)Cc1ccc(C)s1 ZINC000252497585 564053519 /nfs/dbraw/zinc/05/35/19/564053519.db2.gz QKKXLGKBBSIRBQ-UHFFFAOYSA-N 1 2 329.469 3.661 50 0 EHAALO COCC[N@H+](Cc1cn2ccc(C)cc2n1)Cc1ccc(C)s1 ZINC000252497585 564053520 /nfs/dbraw/zinc/05/35/20/564053520.db2.gz QKKXLGKBBSIRBQ-UHFFFAOYSA-N 1 2 329.469 3.661 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000012530366 564058255 /nfs/dbraw/zinc/05/82/55/564058255.db2.gz DEPBCGSHESJHMM-GDBMZVCRSA-N 1 2 329.831 3.635 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000012540480 564058645 /nfs/dbraw/zinc/05/86/45/564058645.db2.gz JUHFXBVBZQKGFP-INIZCTEOSA-N 1 2 342.349 3.609 50 0 EHAALO O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000299770217 564060778 /nfs/dbraw/zinc/06/07/78/564060778.db2.gz NZHNUPHUJCNONP-LBPRGKRZSA-N 1 2 336.798 3.620 50 0 EHAALO CC(C)[C@@H](NC(=O)N(C)Cc1ccccc1Cl)c1[nH+]ccn1C ZINC000534584817 564061140 /nfs/dbraw/zinc/06/11/40/564061140.db2.gz SRCIVZIJBIUWAV-OAHLLOKOSA-N 1 2 334.851 3.612 50 0 EHAALO CC(C)CN(Cc1ccco1)C(=O)N[C@@H](c1[nH+]ccn1C)C(C)C ZINC000534635307 564061324 /nfs/dbraw/zinc/06/13/24/564061324.db2.gz SECFKGLHSADQFA-MRXNPFEDSA-N 1 2 332.448 3.578 50 0 EHAALO COc1c(Cl)cccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000083915279 564064631 /nfs/dbraw/zinc/06/46/31/564064631.db2.gz WXTCINHIYJGODF-CYBMUJFWSA-N 1 2 334.807 3.831 50 0 EHAALO CC(C)NC(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000012770761 564068845 /nfs/dbraw/zinc/06/88/45/564068845.db2.gz IQWLVXWIUZVXGX-UHFFFAOYSA-N 1 2 325.437 3.765 50 0 EHAALO Cc1ccc(C(=O)c2ccccc2)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000225536980 564081829 /nfs/dbraw/zinc/08/18/29/564081829.db2.gz YPKQESRHZHEIOO-UHFFFAOYSA-N 1 2 336.435 3.650 50 0 EHAALO C[N@H+](Cc1cccc(Cl)c1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000013011093 564086508 /nfs/dbraw/zinc/08/65/08/564086508.db2.gz GMPHCPKJXHLCAC-UHFFFAOYSA-N 1 2 348.233 3.862 50 0 EHAALO C[N@@H+](Cc1cccc(Cl)c1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000013011093 564086509 /nfs/dbraw/zinc/08/65/09/564086509.db2.gz GMPHCPKJXHLCAC-UHFFFAOYSA-N 1 2 348.233 3.862 50 0 EHAALO Cc1cncc(C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000248921147 564086818 /nfs/dbraw/zinc/08/68/18/564086818.db2.gz KWJDBGFQSGTBSH-SJORKVTESA-N 1 2 336.357 3.717 50 0 EHAALO Cc1cncc(C[N@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000248921147 564086819 /nfs/dbraw/zinc/08/68/19/564086819.db2.gz KWJDBGFQSGTBSH-SJORKVTESA-N 1 2 336.357 3.717 50 0 EHAALO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1nc(N(C)C)no1 ZINC000192795052 564093313 /nfs/dbraw/zinc/09/33/13/564093313.db2.gz JNALXJOLPJGOJW-HNNXBMFYSA-N 1 2 342.468 3.579 50 0 EHAALO Cc1cc(N)nc(SCC(=O)Nc2c(C)cccc2C(C)C)[nH+]1 ZINC000007048084 564103621 /nfs/dbraw/zinc/10/36/21/564103621.db2.gz SVBKRWMEEMRHPH-UHFFFAOYSA-N 1 2 330.457 3.530 50 0 EHAALO O=C(CCc1cc[nH+]c(N2CCCC2)c1)NCc1ccc(Cl)cc1 ZINC000065269627 564103792 /nfs/dbraw/zinc/10/37/92/564103792.db2.gz RWIKAKYXTTUABK-UHFFFAOYSA-N 1 2 343.858 3.584 50 0 EHAALO Cc1[nH+]c2n(c1C)CCN(Cc1ccccc1Oc1cccnc1)C2 ZINC000065463242 564106182 /nfs/dbraw/zinc/10/61/82/564106182.db2.gz ZWFGXIYPNZESDJ-UHFFFAOYSA-N 1 2 334.423 3.703 50 0 EHAALO Cc1cc2[nH+]cn(CC(=O)NC34CC5CC(CC(C5)C3)C4)c2cc1C ZINC000014360886 564112456 /nfs/dbraw/zinc/11/24/56/564112456.db2.gz NQUMBLKBZLHXNN-UHFFFAOYSA-N 1 2 337.467 3.738 50 0 EHAALO CC[C@@](C)(NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1nccs1 ZINC000076018911 564114501 /nfs/dbraw/zinc/11/45/01/564114501.db2.gz CAASMRHLDVZKPN-MRXNPFEDSA-N 1 2 329.429 3.546 50 0 EHAALO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccnc1SC(F)F ZINC000194555797 564121628 /nfs/dbraw/zinc/12/16/28/564121628.db2.gz HOUSUNCCSNKRHK-UHFFFAOYSA-N 1 2 346.362 3.834 50 0 EHAALO C[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccsc1 ZINC000007926829 564125544 /nfs/dbraw/zinc/12/55/44/564125544.db2.gz HGIYONTUQOJPEC-UHFFFAOYSA-N 1 2 328.359 3.837 50 0 EHAALO C[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccsc1 ZINC000007926829 564125545 /nfs/dbraw/zinc/12/55/45/564125545.db2.gz HGIYONTUQOJPEC-UHFFFAOYSA-N 1 2 328.359 3.837 50 0 EHAALO CNc1ccc(-c2cccc(C(=O)NCC[C@@H]3C[C@@H]4C=C[C@H]3C4)c2)c[nH+]1 ZINC000584894794 564131605 /nfs/dbraw/zinc/13/16/05/564131605.db2.gz MOXBFWRYOJHOEE-BPQIPLTHSA-N 1 2 347.462 3.544 50 0 EHAALO Cc1cccc(N2CC[N@@H+](CC(=O)c3ccc4cc[nH]c4c3)C[C@@H]2C)c1 ZINC000013366800 564136281 /nfs/dbraw/zinc/13/62/81/564136281.db2.gz SJAYJEVCVRCIDZ-KRWDZBQOSA-N 1 2 347.462 3.870 50 0 EHAALO Cc1cccc(N2CC[N@H+](CC(=O)c3ccc4cc[nH]c4c3)C[C@@H]2C)c1 ZINC000013366800 564136282 /nfs/dbraw/zinc/13/62/82/564136282.db2.gz SJAYJEVCVRCIDZ-KRWDZBQOSA-N 1 2 347.462 3.870 50 0 EHAALO CC(=O)Nc1ccc(C)c(NCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000078999248 564137544 /nfs/dbraw/zinc/13/75/44/564137544.db2.gz HTMYTGPLEYGMKA-UHFFFAOYSA-N 1 2 334.423 3.810 50 0 EHAALO O=C(N[C@H]1CCSc2ccccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000390835548 564138996 /nfs/dbraw/zinc/13/89/96/564138996.db2.gz QKDYDKPYPOLMPL-HNNXBMFYSA-N 1 2 342.468 3.536 50 0 EHAALO O=C(N[C@H]1CCSc2ccccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000390835548 564138997 /nfs/dbraw/zinc/13/89/97/564138997.db2.gz QKDYDKPYPOLMPL-HNNXBMFYSA-N 1 2 342.468 3.536 50 0 EHAALO CC1CCN(c2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000020662192 564141726 /nfs/dbraw/zinc/14/17/26/564141726.db2.gz YVCCDYZYLPYVCF-UHFFFAOYSA-N 1 2 327.819 3.705 50 0 EHAALO CC(C)Oc1ccc(NC(=O)NCc2[nH]cc[nH+]2)c(C(F)(F)F)c1 ZINC000095982789 564143730 /nfs/dbraw/zinc/14/37/30/564143730.db2.gz LXXAYQQDHKHRSQ-UHFFFAOYSA-N 1 2 342.321 3.537 50 0 EHAALO Cc1ccccc1NC(=S)N1CCC[N@H+](Cc2ccccc2F)C1 ZINC000058096335 564157550 /nfs/dbraw/zinc/15/75/50/564157550.db2.gz VZGJLHMFCJOGSE-UHFFFAOYSA-N 1 2 343.471 3.996 50 0 EHAALO Cc1ccccc1NC(=S)N1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000058096335 564157551 /nfs/dbraw/zinc/15/75/51/564157551.db2.gz VZGJLHMFCJOGSE-UHFFFAOYSA-N 1 2 343.471 3.996 50 0 EHAALO Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCC(c4ccn[nH]4)CC3)o2)c1 ZINC000058208459 564158050 /nfs/dbraw/zinc/15/80/50/564158050.db2.gz IDRCORAEQVFTET-CQSZACIVSA-N 1 2 337.427 3.709 50 0 EHAALO C[N@H+](Cc1ccc(Cl)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000031005002 564158369 /nfs/dbraw/zinc/15/83/69/564158369.db2.gz IUICBFHODQPYFZ-UHFFFAOYSA-N 1 2 348.233 3.862 50 0 EHAALO C[N@@H+](Cc1ccc(Cl)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000031005002 564158370 /nfs/dbraw/zinc/15/83/70/564158370.db2.gz IUICBFHODQPYFZ-UHFFFAOYSA-N 1 2 348.233 3.862 50 0 EHAALO CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)C1(C)C ZINC000058406201 564159013 /nfs/dbraw/zinc/15/90/13/564159013.db2.gz LDGRAMYFABEGLG-SQNIBIBYSA-N 1 2 337.467 3.864 50 0 EHAALO CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)C1(C)C ZINC000058406199 564159015 /nfs/dbraw/zinc/15/90/15/564159015.db2.gz LDGRAMYFABEGLG-KURKYZTESA-N 1 2 337.467 3.864 50 0 EHAALO C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007986424 564161854 /nfs/dbraw/zinc/16/18/54/564161854.db2.gz PBDHGDUYSNMYGP-OAHLLOKOSA-N 1 2 344.418 3.774 50 0 EHAALO Fc1ccc(-n2ncc3c2nc[nH+]c3NCCCc2ccccc2)cc1 ZINC000008583011 564165810 /nfs/dbraw/zinc/16/58/10/564165810.db2.gz ZVRCCUDQIPIVIQ-UHFFFAOYSA-N 1 2 347.397 3.999 50 0 aggregator EHAALO COc1cccc(NC(=O)[C@H]([NH2+]Cc2ccccn2)c2ccccc2)c1 ZINC000008657397 564166222 /nfs/dbraw/zinc/16/62/22/564166222.db2.gz TULMJBWVWYJNCQ-HXUWFJFHSA-N 1 2 347.418 3.560 50 0 EHAALO CC[C@@H](C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000069484093 564169829 /nfs/dbraw/zinc/16/98/29/564169829.db2.gz OQCVBYRFOOLGLD-LJQANCHMSA-N 1 2 337.467 3.703 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000581806213 1132368671 /nfs/dbraw/zinc/36/86/71/1132368671.db2.gz MXHHWOZMBCRXFK-LJQANCHMSA-N 1 2 346.434 3.731 50 0 EHAALO CN(C)c1ccc(Cl)cc1NC(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000952873086 1137483055 /nfs/dbraw/zinc/48/30/55/1137483055.db2.gz FZRMJAYYCUYVIP-QGZVFWFLSA-N 1 2 349.837 3.787 50 0 EHAALO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(O)c(F)c2F)cc1OC ZINC000952993055 1137485040 /nfs/dbraw/zinc/48/50/40/1137485040.db2.gz MJAFPMKLJHTCRN-SECBINFHSA-N 1 2 341.329 3.678 50 0 EHAALO Cc1nc(CNC(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)cs1 ZINC000051647561 214099629 /nfs/dbraw/zinc/09/96/29/214099629.db2.gz WLKNOCBTXZOQLL-UHFFFAOYSA-N 1 2 340.408 3.961 50 0 EHAALO Cn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1=S ZINC000054569650 214244882 /nfs/dbraw/zinc/24/48/82/214244882.db2.gz IHZRFMZYDKBSQQ-OAHLLOKOSA-N 1 2 332.448 3.762 50 0 EHAALO Cn1c(C2CC2)nn(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1=S ZINC000054569650 214244884 /nfs/dbraw/zinc/24/48/84/214244884.db2.gz IHZRFMZYDKBSQQ-OAHLLOKOSA-N 1 2 332.448 3.762 50 0 EHAALO CCC[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1[nH+]ccn1C ZINC000055108790 214275323 /nfs/dbraw/zinc/27/53/23/214275323.db2.gz JNECHQWBKOPBTD-FAKMSMKASA-N 1 2 329.488 3.984 50 0 EHAALO CCOc1ccc(Cl)c(C(=O)Nc2ccccc2-n2cc[nH+]c2)n1 ZINC000055249641 214295371 /nfs/dbraw/zinc/29/53/71/214295371.db2.gz NYSRPFCLVZFQHU-UHFFFAOYSA-N 1 2 342.786 3.572 50 0 EHAALO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000067230549 215126855 /nfs/dbraw/zinc/12/68/55/215126855.db2.gz XVVRRZKKNKGVLZ-INIZCTEOSA-N 1 2 339.395 3.682 50 0 EHAALO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1Cc1nnc(-c2ccco2)o1 ZINC000067230549 215126857 /nfs/dbraw/zinc/12/68/57/215126857.db2.gz XVVRRZKKNKGVLZ-INIZCTEOSA-N 1 2 339.395 3.682 50 0 EHAALO c1cn(CCc2[nH]c3ccccc3[nH+]2)c(-c2ccc(-c3cc[nH]n3)o2)n1 ZINC000067675406 215181021 /nfs/dbraw/zinc/18/10/21/215181021.db2.gz NLHHVSHSDXIPRT-UHFFFAOYSA-N 1 2 344.378 3.652 50 0 EHAALO C[N@@H+](Cc1cccn1-c1nccs1)Cc1nc2cc(F)ccc2[nH]1 ZINC000067790466 215213597 /nfs/dbraw/zinc/21/35/97/215213597.db2.gz QVAMUUFHOJSXSE-UHFFFAOYSA-N 1 2 341.415 3.581 50 0 EHAALO C[N@H+](Cc1cccn1-c1nccs1)Cc1nc2cc(F)ccc2[nH]1 ZINC000067790466 215213599 /nfs/dbraw/zinc/21/35/99/215213599.db2.gz QVAMUUFHOJSXSE-UHFFFAOYSA-N 1 2 341.415 3.581 50 0 EHAALO CCCc1ccc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2cccc(O)c2)o1 ZINC000067805044 215217002 /nfs/dbraw/zinc/21/70/02/215217002.db2.gz HSXYRQILMOENEF-FQEVSTJZSA-N 1 2 337.423 3.809 50 0 EHAALO COc1cc(Cl)cc2cc(C(=O)Nc3c[nH+]c4n3CCCC4)oc21 ZINC000067885496 215240419 /nfs/dbraw/zinc/24/04/19/215240419.db2.gz ATQNCQLXWDIYHF-UHFFFAOYSA-N 1 2 345.786 3.880 50 0 EHAALO C[C@H](c1nc(C2CC2)no1)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000069370535 215391763 /nfs/dbraw/zinc/39/17/63/215391763.db2.gz FWHLTXNAXMNDJD-UONOGXRCSA-N 1 2 344.434 3.526 50 0 EHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(C(C)C)no2)c(OC)c1 ZINC000040489631 213319110 /nfs/dbraw/zinc/31/91/10/213319110.db2.gz GAJVNBFZXUXSOC-HNNXBMFYSA-N 1 2 331.416 3.547 50 0 EHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(C(C)C)no2)c(OC)c1 ZINC000040489631 213319112 /nfs/dbraw/zinc/31/91/12/213319112.db2.gz GAJVNBFZXUXSOC-HNNXBMFYSA-N 1 2 331.416 3.547 50 0 EHAALO COCc1noc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2cccs2)n1 ZINC000181959182 234394633 /nfs/dbraw/zinc/39/46/33/234394633.db2.gz YRKOYEQLMBSWOG-MYSGNRETSA-N 1 2 333.457 3.736 50 0 EHAALO COCc1noc(C[N@H+]2CCCCC[C@@H]2/C=C/c2cccs2)n1 ZINC000181959182 234394636 /nfs/dbraw/zinc/39/46/36/234394636.db2.gz YRKOYEQLMBSWOG-MYSGNRETSA-N 1 2 333.457 3.736 50 0 EHAALO CC(C)c1ccc(CCC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000040141822 213272208 /nfs/dbraw/zinc/27/22/08/213272208.db2.gz GBUNHXJHZLCCKG-UHFFFAOYSA-N 1 2 335.451 3.749 50 0 EHAALO C[C@@H](C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1)n1cc[nH+]c1 ZINC000040145263 213271948 /nfs/dbraw/zinc/27/19/48/213271948.db2.gz GHZHAHIZMBFYBF-NSHDSACASA-N 1 2 346.843 3.784 50 0 EHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cc(Cl)ccc1OC ZINC000036779259 213119023 /nfs/dbraw/zinc/11/90/23/213119023.db2.gz MNGUJUHVQHTHTQ-UHFFFAOYSA-N 1 2 343.814 3.899 50 0 EHAALO O=C(Cc1ccc(Cl)cc1F)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000072119359 216014116 /nfs/dbraw/zinc/01/41/16/216014116.db2.gz RHTISFSHWQLVSK-UHFFFAOYSA-N 1 2 343.789 3.524 50 0 EHAALO O=C(Nc1ccccc1-c1ccccc1)N1CCCn2c[nH+]cc2C1 ZINC000072150415 216037881 /nfs/dbraw/zinc/03/78/81/216037881.db2.gz ZVALOKCWZOTODD-UHFFFAOYSA-N 1 2 332.407 3.988 50 0 EHAALO Cc1ccc(-c2nc3ccccc3c(=O)n2CCCn2cc[nH+]c2)cc1 ZINC000000349940 209545930 /nfs/dbraw/zinc/54/59/30/209545930.db2.gz CENBTWLOCOPWCJ-UHFFFAOYSA-N 1 2 344.418 3.659 50 0 EHAALO CC1CC[NH+](Cn2nc(-c3ccccc3Cl)n(C)c2=S)CC1 ZINC000000063550 209395740 /nfs/dbraw/zinc/39/57/40/209395740.db2.gz BYVKGYKPNVAXBO-UHFFFAOYSA-N 1 2 336.892 3.961 50 0 EHAALO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000023702745 212392307 /nfs/dbraw/zinc/39/23/07/212392307.db2.gz FMHAIXNPLJOGKR-AWEZNQCLSA-N 1 2 337.423 3.515 50 0 EHAALO CCOc1ccc(C[N@H+](C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000023702745 212392303 /nfs/dbraw/zinc/39/23/03/212392303.db2.gz FMHAIXNPLJOGKR-AWEZNQCLSA-N 1 2 337.423 3.515 50 0 EHAALO O=C(NCCc1cn2ccccc2[nH+]1)c1cc2cc(F)ccc2s1 ZINC000023319731 212367599 /nfs/dbraw/zinc/36/75/99/212367599.db2.gz FJIGDRQAIUHKAC-UHFFFAOYSA-N 1 2 339.395 3.661 50 0 EHAALO CC(=O)Nc1ccc(Cl)c(NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000075147446 216584837 /nfs/dbraw/zinc/58/48/37/216584837.db2.gz GTDKNEUBCJAWEN-UHFFFAOYSA-N 1 2 328.803 3.867 50 0 EHAALO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-c2cccs2)cc1 ZINC000206827928 241053027 /nfs/dbraw/zinc/05/30/27/241053027.db2.gz DILMESMHZSPCJV-KRWDZBQOSA-N 1 2 349.459 3.819 50 0 EHAALO COCC[N@@H+](Cc1ccccc1Cl)Cc1[nH]cc(C)c(=O)c1C ZINC000253536192 244012443 /nfs/dbraw/zinc/01/24/43/244012443.db2.gz BGXVDOAGHNKIEO-UHFFFAOYSA-N 1 2 334.847 3.706 50 0 EHAALO COCC[N@H+](Cc1ccccc1Cl)Cc1[nH]cc(C)c(=O)c1C ZINC000253536192 244012451 /nfs/dbraw/zinc/01/24/51/244012451.db2.gz BGXVDOAGHNKIEO-UHFFFAOYSA-N 1 2 334.847 3.706 50 0 EHAALO Cc1ccc(CN2c3ccccc3[N@@H+](CC(=O)c3ccco3)C2=N)cc1 ZINC000019907290 212081690 /nfs/dbraw/zinc/08/16/90/212081690.db2.gz POEIABZXNXGWKO-UHFFFAOYSA-N 1 2 345.402 3.755 50 0 EHAALO Cc1ccc(CN2c3ccccc3[N@H+](CC(=O)c3ccco3)C2=N)cc1 ZINC000019907290 212081692 /nfs/dbraw/zinc/08/16/92/212081692.db2.gz POEIABZXNXGWKO-UHFFFAOYSA-N 1 2 345.402 3.755 50 0 EHAALO COc1ccc(CN2CC[NH+](Cc3ccc(SC)cc3)CC2)cc1 ZINC000019832130 212072972 /nfs/dbraw/zinc/07/29/72/212072972.db2.gz VHXJBEWMHDZJSF-UHFFFAOYSA-N 1 2 342.508 3.735 50 0 EHAALO O=C(c1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019832296 212072829 /nfs/dbraw/zinc/07/28/29/212072829.db2.gz OUBZOWLFUZLVJD-UHFFFAOYSA-N 1 2 349.261 3.951 50 0 EHAALO COc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000019781728 212065990 /nfs/dbraw/zinc/06/59/90/212065990.db2.gz DLBSOPNYHULJEB-UHFFFAOYSA-N 1 2 330.859 3.666 50 0 EHAALO [NH2+]=c1n(Cc2ccccc2)c2ccccc2n1C[C@@H](O)c1cccs1 ZINC000019771395 212063168 /nfs/dbraw/zinc/06/31/68/212063168.db2.gz FUSMUZNHMXYEGC-GOSISDBHSA-N 1 2 349.459 3.766 50 0 EHAALO C[N@H+](Cc1nnc(-c2ccc(F)cc2)o1)Cc1ccc(Cl)nc1 ZINC000080912063 217340061 /nfs/dbraw/zinc/34/00/61/217340061.db2.gz NBQRSDRXIQVQFG-UHFFFAOYSA-N 1 2 332.766 3.556 50 0 EHAALO C[N@@H+](Cc1nnc(-c2ccc(F)cc2)o1)Cc1ccc(Cl)nc1 ZINC000080912063 217340065 /nfs/dbraw/zinc/34/00/65/217340065.db2.gz NBQRSDRXIQVQFG-UHFFFAOYSA-N 1 2 332.766 3.556 50 0 EHAALO O=C(N[C@H](c1ccccc1)c1cccc(F)c1)[C@H]1CCCn2cc[nH+]c21 ZINC000088263213 217743471 /nfs/dbraw/zinc/74/34/71/217743471.db2.gz VHECNZWFPINOFR-RBUKOAKNSA-N 1 2 349.409 3.805 50 0 EHAALO CC(C)c1cc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cs1 ZINC000012382861 211363050 /nfs/dbraw/zinc/36/30/50/211363050.db2.gz YBJCTHFYWHZFQQ-UHFFFAOYSA-N 1 2 346.471 3.969 50 0 EHAALO O=C(C[C@H]1CCc2ccccc21)NCc1ccccc1-n1cc[nH+]c1 ZINC000091594452 218028631 /nfs/dbraw/zinc/02/86/31/218028631.db2.gz HVTQMANDSLLSCS-QGZVFWFLSA-N 1 2 331.419 3.609 50 0 EHAALO C[NH+](C)[C@@H](C(=O)NCCCSc1ccccc1)c1ccccc1F ZINC000092028569 218105900 /nfs/dbraw/zinc/10/59/00/218105900.db2.gz VWYSHNZORODWCQ-GOSISDBHSA-N 1 2 346.471 3.727 50 0 EHAALO O=C([O-])[C@@]1(CC2CC2)CCC[N@H+](Cc2c[nH+]c(CC3CCCC3)[nH]2)C1 ZINC000092077983 218116243 /nfs/dbraw/zinc/11/62/43/218116243.db2.gz KJIVGCFJCSWXNY-HXUWFJFHSA-N 1 2 345.487 3.609 50 0 EHAALO O=C([O-])[C@@]1(CC2CC2)CCC[N@@H+](Cc2c[nH+]c(CC3CCCC3)[nH]2)C1 ZINC000092077983 218116245 /nfs/dbraw/zinc/11/62/45/218116245.db2.gz KJIVGCFJCSWXNY-HXUWFJFHSA-N 1 2 345.487 3.609 50 0 EHAALO O=C(NCc1[nH]cc[nH+]1)Nc1cccc(CSC2CCCC2)c1 ZINC000092052048 218110783 /nfs/dbraw/zinc/11/07/83/218110783.db2.gz RJDNDMGVAYNAGJ-UHFFFAOYSA-N 1 2 330.457 3.907 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1F ZINC000010260911 211158316 /nfs/dbraw/zinc/15/83/16/211158316.db2.gz QYJYUTBIJYYSEC-INIZCTEOSA-N 1 2 342.349 3.609 50 0 EHAALO Cc1cc(Br)c(NC(=O)C[N@H+]2CCC[C@H](C)C2)cc1C ZINC000009996382 211139880 /nfs/dbraw/zinc/13/98/80/211139880.db2.gz ORDCDLFOUVDDAX-NSHDSACASA-N 1 2 339.277 3.736 50 0 EHAALO Cc1cc(Br)c(NC(=O)C[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000009996382 211139884 /nfs/dbraw/zinc/13/98/84/211139884.db2.gz ORDCDLFOUVDDAX-NSHDSACASA-N 1 2 339.277 3.736 50 0 EHAALO Cn1ncc2c1nc[nH+]c2N(Cc1ccccc1)Cc1ccccc1 ZINC000009531872 211099863 /nfs/dbraw/zinc/09/98/63/211099863.db2.gz PYYZJKINMVKJEB-UHFFFAOYSA-N 1 2 329.407 3.570 50 0 EHAALO CC(=O)Nc1ccccc1C[N@@H+]1CCSC[C@@H]1c1ccc(C)o1 ZINC000093819139 218253173 /nfs/dbraw/zinc/25/31/73/218253173.db2.gz KVIIHFZWYCQTEJ-QGZVFWFLSA-N 1 2 330.453 3.837 50 0 EHAALO CC(=O)Nc1ccccc1C[N@H+]1CCSC[C@@H]1c1ccc(C)o1 ZINC000093819139 218253174 /nfs/dbraw/zinc/25/31/74/218253174.db2.gz KVIIHFZWYCQTEJ-QGZVFWFLSA-N 1 2 330.453 3.837 50 0 EHAALO C[N@H+](CC(=O)Nc1nccs1)Cc1ccc(Cl)c(Cl)c1 ZINC000009114408 211041269 /nfs/dbraw/zinc/04/12/69/211041269.db2.gz YUWOULAQQMRAQD-UHFFFAOYSA-N 1 2 330.240 3.520 50 0 EHAALO C[N@@H+](CC(=O)Nc1nccs1)Cc1ccc(Cl)c(Cl)c1 ZINC000009114408 211041271 /nfs/dbraw/zinc/04/12/71/211041271.db2.gz YUWOULAQQMRAQD-UHFFFAOYSA-N 1 2 330.240 3.520 50 0 EHAALO Cc1nc([C@@H](C)N(C)C(=O)Cn2c(C)[nH+]c3ccccc32)c(C)s1 ZINC000095373658 218306875 /nfs/dbraw/zinc/30/68/75/218306875.db2.gz RGBQPUJYMQTQLT-LLVKDONJSA-N 1 2 342.468 3.638 50 0 EHAALO C[C@H]1CCN(C(=O)Nc2cccc3cccnc32)C[C@H]1n1cc[nH+]c1 ZINC000095412945 218350534 /nfs/dbraw/zinc/35/05/34/218350534.db2.gz MZSJXBWJPHOZQV-WMLDXEAASA-N 1 2 335.411 3.546 50 0 EHAALO Cc1ccc(OCCCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000095963032 218467926 /nfs/dbraw/zinc/46/79/26/218467926.db2.gz DIROLNFGMOLFJP-KRWDZBQOSA-N 1 2 341.455 3.592 50 0 EHAALO CC[C@H]([NH2+]Cc1nnc(C)s1)c1ccccc1Br ZINC000095985890 218491989 /nfs/dbraw/zinc/49/19/89/218491989.db2.gz USFMSMDCMVSUDL-LBPRGKRZSA-N 1 2 326.263 3.850 50 0 EHAALO CC(C)Oc1ccccc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112664882 220369742 /nfs/dbraw/zinc/36/97/42/220369742.db2.gz KVQGKOHNTKGDPA-UHFFFAOYSA-N 1 2 341.455 3.529 50 0 EHAALO COc1cccc([C@@H]2CCN2C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000299786089 258093173 /nfs/dbraw/zinc/09/31/73/258093173.db2.gz PDJRSTXRPDEUJT-KRWDZBQOSA-N 1 2 325.412 3.994 50 0 EHAALO Cc1cccc(N2CC[NH+](CC(=O)c3c[nH]c4ccccc34)CC2)c1C ZINC000035833257 132391050 /nfs/dbraw/zinc/39/10/50/132391050.db2.gz XJTOSRVFXSRIMC-UHFFFAOYSA-N 1 2 347.462 3.790 50 0 EHAALO FC(F)(F)c1ccnc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000024055810 135731136 /nfs/dbraw/zinc/73/11/36/135731136.db2.gz IMRXLYBDVWRMOP-UHFFFAOYSA-N 1 2 347.344 3.756 50 0 EHAALO FC(F)(F)c1cccc([C@@H]([NH2+]Cc2cncnc2)c2cccnc2)c1 ZINC000122709148 222141604 /nfs/dbraw/zinc/14/16/04/222141604.db2.gz BMPMMGONYFHMSF-QGZVFWFLSA-N 1 2 344.340 3.770 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000008746327 563639214 /nfs/dbraw/zinc/63/92/14/563639214.db2.gz GWAGCCRPNARSMB-INIZCTEOSA-N 1 2 340.814 3.985 50 0 EHAALO O=C(c1cc2ccccc2[nH]1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013625137 563704373 /nfs/dbraw/zinc/70/43/73/563704373.db2.gz BFELFNZZXJRHEL-RMKNXTFCSA-N 1 2 345.446 3.639 50 0 EHAALO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)c(C)c1 ZINC000014023464 563736810 /nfs/dbraw/zinc/73/68/10/563736810.db2.gz JWXUWCWQHKWHGR-UHFFFAOYSA-N 1 2 348.450 3.560 50 0 EHAALO Cc1ccc(NC(=O)C[N@H+](C)Cc2cnn(-c3ccccc3)c2)c(C)c1 ZINC000014023464 563736815 /nfs/dbraw/zinc/73/68/15/563736815.db2.gz JWXUWCWQHKWHGR-UHFFFAOYSA-N 1 2 348.450 3.560 50 0 EHAALO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc(OC2CCCC2)cc1 ZINC000032816558 563750832 /nfs/dbraw/zinc/75/08/32/563750832.db2.gz IQFKRIVARQSNNT-UHFFFAOYSA-N 1 2 349.434 3.628 50 0 EHAALO CN(C)c1cc(CNC(=O)c2sc3ccccc3c2Cl)cc[nH+]1 ZINC000032830770 563759302 /nfs/dbraw/zinc/75/93/02/563759302.db2.gz KADCBCDUGNNNEE-UHFFFAOYSA-N 1 2 345.855 3.946 50 0 EHAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000015860726 563796956 /nfs/dbraw/zinc/79/69/56/563796956.db2.gz ARRLWXAGSSBRAK-AWEZNQCLSA-N 1 2 330.815 3.746 50 0 EHAALO Cc1ccc(C)c(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000016903749 563825737 /nfs/dbraw/zinc/82/57/37/563825737.db2.gz JHMHATQCCXPKAJ-QGZVFWFLSA-N 1 2 336.435 3.970 50 0 EHAALO CC(C)c1cc(NC(=O)C[N@H+](C)Cc2ccc(Cl)s2)on1 ZINC000024240699 563870172 /nfs/dbraw/zinc/87/01/72/563870172.db2.gz ZLIGCIGMNAUJMO-UHFFFAOYSA-N 1 2 327.837 3.583 50 0 EHAALO CC(C)c1cc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)s2)on1 ZINC000024240699 563870173 /nfs/dbraw/zinc/87/01/73/563870173.db2.gz ZLIGCIGMNAUJMO-UHFFFAOYSA-N 1 2 327.837 3.583 50 0 EHAALO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000026895030 563893937 /nfs/dbraw/zinc/89/39/37/563893937.db2.gz ADEHFOWFGHHJGT-CYBMUJFWSA-N 1 2 331.243 3.875 50 0 EHAALO CC(C)c1noc([C@@H](C)[NH+]2CCC(C(=O)c3ccccc3)CC2)n1 ZINC000027822397 563899913 /nfs/dbraw/zinc/89/99/13/563899913.db2.gz QPRHEVMDTWZSFA-CQSZACIVSA-N 1 2 327.428 3.849 50 0 EHAALO CCCNC(=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000028276596 563902043 /nfs/dbraw/zinc/90/20/43/563902043.db2.gz RHIRRVBDVZUZDL-UHFFFAOYSA-N 1 2 325.437 3.766 50 0 EHAALO CCSc1cncc(N[C@@H](c2[nH+]ccn2C)c2ccccc2)n1 ZINC000072274376 563902625 /nfs/dbraw/zinc/90/26/25/563902625.db2.gz KUFKWADADOPXCV-MRXNPFEDSA-N 1 2 325.441 3.524 50 0 EHAALO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)sc1C ZINC000029987122 563909149 /nfs/dbraw/zinc/90/91/49/563909149.db2.gz QUWUCDJAECYXFP-INIZCTEOSA-N 1 2 343.427 3.757 50 0 EHAALO CC(C)Oc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000030940250 563911812 /nfs/dbraw/zinc/91/18/12/563911812.db2.gz VQOPSXIGMZMUDA-UHFFFAOYSA-N 1 2 335.407 3.971 50 0 EHAALO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@H]1CCc1ccccc1 ZINC000058328217 563942672 /nfs/dbraw/zinc/94/26/72/563942672.db2.gz WIEOIHXIIFAZOC-IBGZPJMESA-N 1 2 346.434 3.505 50 0 EHAALO Cc1[nH+]c2ccccn2c1CC(=O)N(Cc1cccc(C)c1)C(C)C ZINC000063832471 563956033 /nfs/dbraw/zinc/95/60/33/563956033.db2.gz KWSJIZYMUDOBEE-UHFFFAOYSA-N 1 2 335.451 3.931 50 0 EHAALO COC(=O)CCCC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071388630 563964251 /nfs/dbraw/zinc/96/42/51/563964251.db2.gz JOQYQDGFRARWJT-OAHLLOKOSA-N 1 2 346.254 3.710 50 0 EHAALO COC(=O)CCCC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071388630 563964252 /nfs/dbraw/zinc/96/42/52/563964252.db2.gz JOQYQDGFRARWJT-OAHLLOKOSA-N 1 2 346.254 3.710 50 0 EHAALO O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077343298 563969094 /nfs/dbraw/zinc/96/90/94/563969094.db2.gz JXLUUMZZNBOJHN-QGZVFWFLSA-N 1 2 334.423 3.516 50 0 EHAALO CC(=O)Nc1ccc(Cl)cc1NCc1cn2cc(C)ccc2[nH+]1 ZINC000133645492 563976382 /nfs/dbraw/zinc/97/63/82/563976382.db2.gz SFUBLGOAUPJENB-UHFFFAOYSA-N 1 2 328.803 3.867 50 0 EHAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2ncsc2c1 ZINC000096164493 563979915 /nfs/dbraw/zinc/97/99/15/563979915.db2.gz RPRWCWFCHZAJPC-HNNXBMFYSA-N 1 2 343.456 3.729 50 0 EHAALO C[N@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1noc2c1CCCC2 ZINC000097076574 563981246 /nfs/dbraw/zinc/98/12/46/563981246.db2.gz UBKZRQJYYJDFET-UHFFFAOYSA-N 1 2 328.441 3.637 50 0 EHAALO C[N@@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1noc2c1CCCC2 ZINC000097076574 563981247 /nfs/dbraw/zinc/98/12/47/563981247.db2.gz UBKZRQJYYJDFET-UHFFFAOYSA-N 1 2 328.441 3.637 50 0 EHAALO C[N@H+](Cc1ncc(-c2ccccc2)o1)Cc1ccc2c(c1)OCCO2 ZINC000023993057 563991295 /nfs/dbraw/zinc/99/12/95/563991295.db2.gz JAEJWZNAMCIEMH-UHFFFAOYSA-N 1 2 336.391 3.745 50 0 EHAALO C[N@@H+](Cc1ncc(-c2ccccc2)o1)Cc1ccc2c(c1)OCCO2 ZINC000023993057 563991296 /nfs/dbraw/zinc/99/12/96/563991296.db2.gz JAEJWZNAMCIEMH-UHFFFAOYSA-N 1 2 336.391 3.745 50 0 EHAALO CCc1nc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2OC)sc1C ZINC000048365183 564031516 /nfs/dbraw/zinc/03/15/16/564031516.db2.gz RSRQIKMCBLQMBQ-LBPRGKRZSA-N 1 2 347.484 3.654 50 0 EHAALO CCc1nc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2OC)sc1C ZINC000048365183 564031517 /nfs/dbraw/zinc/03/15/17/564031517.db2.gz RSRQIKMCBLQMBQ-LBPRGKRZSA-N 1 2 347.484 3.654 50 0 EHAALO Cc1cc2[nH+]cn(CC(=O)N3CCC[C@H]4CCCC[C@H]43)c2cc1C ZINC000225506783 564047367 /nfs/dbraw/zinc/04/73/67/564047367.db2.gz YLBGPFDEBUKVPX-SJLPKXTDSA-N 1 2 325.456 3.834 50 0 EHAALO Cc1ccc[nH+]c1[C@@H]1CCC[C@@H](Nc2ccc(CNC(N)=O)cc2)C1 ZINC000239667137 564051628 /nfs/dbraw/zinc/05/16/28/564051628.db2.gz BPBBGKWHCAOIHX-SJLPKXTDSA-N 1 2 338.455 3.697 50 0 EHAALO COCc1noc(C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)n1 ZINC000182630656 564056392 /nfs/dbraw/zinc/05/63/92/564056392.db2.gz LFWWZBMQAXOWQV-UHFFFAOYSA-N 1 2 335.835 3.819 50 0 EHAALO CC1CC[NH+](Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)CC1 ZINC000005977724 564057380 /nfs/dbraw/zinc/05/73/80/564057380.db2.gz QEZRGLOIIBCVDG-UHFFFAOYSA-N 1 2 345.493 3.945 50 0 EHAALO Cc1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1 ZINC000012559538 564059444 /nfs/dbraw/zinc/05/94/44/564059444.db2.gz PPGPHPMGLHUHCX-QGZVFWFLSA-N 1 2 338.386 3.779 50 0 EHAALO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)Nc1cccc2ccccc21 ZINC000012604142 564060462 /nfs/dbraw/zinc/06/04/62/564060462.db2.gz UBDDFFBHGCMAHT-UHFFFAOYSA-N 1 2 343.390 3.742 50 0 EHAALO Cc1cc(C[S@](=O)Cc2cn3cccc(C)c3[nH+]2)c2ccccc2n1 ZINC000083953321 564065174 /nfs/dbraw/zinc/06/51/74/564065174.db2.gz PZBUOFUHYIJCDP-RUZDIDTESA-N 1 2 349.459 3.948 50 0 EHAALO C[C@H](C1CC1)N(C(=O)NCc1ccc[nH+]c1N1CCCCC1)C1CC1 ZINC000073882665 564066073 /nfs/dbraw/zinc/06/60/73/564066073.db2.gz ICAAATBOXKOECF-OAHLLOKOSA-N 1 2 342.487 3.544 50 0 EHAALO FC(F)(F)Cn1cc[nH+]c1/C=C/c1ncc(Br)s1 ZINC000193049955 564077525 /nfs/dbraw/zinc/07/75/25/564077525.db2.gz CZYRJXZUEYZOAU-OWOJBTEDSA-N 1 2 338.152 3.835 50 0 EHAALO Cc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000012910931 564077915 /nfs/dbraw/zinc/07/79/15/564077915.db2.gz ZBWYZPZJBDUTPK-GJZGRUSLSA-N 1 2 328.481 3.853 50 0 EHAALO Cc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000012910931 564077916 /nfs/dbraw/zinc/07/79/16/564077916.db2.gz ZBWYZPZJBDUTPK-GJZGRUSLSA-N 1 2 328.481 3.853 50 0 EHAALO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCCCCCC1)c1ccccc1 ZINC000074869254 564079506 /nfs/dbraw/zinc/07/95/06/564079506.db2.gz KFMAYRSEAUECNM-GOSISDBHSA-N 1 2 340.471 3.680 50 0 EHAALO CC(C)OCCCNc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000001672932 564082185 /nfs/dbraw/zinc/08/21/85/564082185.db2.gz GIESQZZLLCGXCS-UHFFFAOYSA-N 1 2 345.834 3.696 50 0 EHAALO O=C(c1ccc2ccccc2c1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575612059 564082695 /nfs/dbraw/zinc/08/26/95/564082695.db2.gz IVFPJEDXHJLVLJ-FQEVSTJZSA-N 1 2 332.403 3.918 50 0 EHAALO COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000190924485 564084434 /nfs/dbraw/zinc/08/44/34/564084434.db2.gz SCXPKXVXBRPRQZ-WBVHZDCISA-N 1 2 340.423 3.766 50 0 EHAALO Cc1cccc(Cn2cc[nH+]c2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000006689241 564095883 /nfs/dbraw/zinc/09/58/83/564095883.db2.gz HLBAHGJNSJKVDA-UHFFFAOYSA-N 1 2 327.472 3.880 50 0 EHAALO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1F ZINC000013320223 564111422 /nfs/dbraw/zinc/11/14/22/564111422.db2.gz DPYUJMGGUHWYCE-UHFFFAOYSA-N 1 2 345.393 3.623 50 0 EHAALO Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000089689282 564113110 /nfs/dbraw/zinc/11/31/10/564113110.db2.gz KIEIBIARXODHNJ-RTWAWAEBSA-N 1 2 345.446 3.660 50 0 EHAALO FC(F)(F)c1nn(Cc2ccn(-c3ccccc3)n2)c2cc[nH+]cc21 ZINC000089857629 564114297 /nfs/dbraw/zinc/11/42/97/564114297.db2.gz NHVDMWVBRFQSPA-UHFFFAOYSA-N 1 2 343.312 3.684 50 0 EHAALO Cc1cc(NC(=O)c2ncncc2Cl)ccc1Oc1cc[nH+]cc1 ZINC000193696584 564120208 /nfs/dbraw/zinc/12/02/08/564120208.db2.gz JKDFEIHDJWUNCA-UHFFFAOYSA-N 1 2 340.770 3.878 50 0 EHAALO C[C@H](C[NH2+][C@H](c1ncon1)c1ccc(F)c(F)c1)c1ccccc1 ZINC000194527004 564121577 /nfs/dbraw/zinc/12/15/77/564121577.db2.gz BHIHKRYHEGWECL-PXAZEXFGSA-N 1 2 329.350 3.831 50 0 EHAALO CC(C)c1[nH+]c2ccccc2n1C[C@H](O)COC[C@@H]1CC=CCC1 ZINC000013228323 564136146 /nfs/dbraw/zinc/13/61/46/564136146.db2.gz FQWFPOQPUQWOHA-SJORKVTESA-N 1 2 328.456 3.894 50 0 EHAALO Cc1ncsc1C[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000093865551 564138044 /nfs/dbraw/zinc/13/80/44/564138044.db2.gz YGBHFHPEPZILHO-CQSZACIVSA-N 1 2 340.395 3.626 50 0 EHAALO Cc1ncsc1C[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000093865551 564138045 /nfs/dbraw/zinc/13/80/45/564138045.db2.gz YGBHFHPEPZILHO-CQSZACIVSA-N 1 2 340.395 3.626 50 0 EHAALO CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000095962297 564142789 /nfs/dbraw/zinc/14/27/89/564142789.db2.gz BZVRGAIIMFTSEP-CQSZACIVSA-N 1 2 342.443 3.999 50 0 EHAALO O=C(c1nc2ccccc2s1)N(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000096025046 564144878 /nfs/dbraw/zinc/14/48/78/564144878.db2.gz KWUOUNJEBMSLKP-UHFFFAOYSA-N 1 2 348.431 3.749 50 0 EHAALO CC[NH+]1CCN(C(=O)c2ccc(Oc3ccccc3Cl)o2)CC1 ZINC000096183869 564145905 /nfs/dbraw/zinc/14/59/05/564145905.db2.gz WHRQHHNNIWHZKS-UHFFFAOYSA-N 1 2 334.803 3.503 50 0 EHAALO Cc1ccccc1C1=N/C(=C/c2ccc(-n3cc[nH+]c3)cc2)C(=O)O1 ZINC000096840169 564148970 /nfs/dbraw/zinc/14/89/70/564148970.db2.gz QSLUXXOAKCMCER-LDADJPATSA-N 1 2 329.359 3.525 50 0 EHAALO O=C(N[C@@H]1CCc2[nH+]ccn2C1)c1sc2cc(F)ccc2c1Cl ZINC000097197350 564149504 /nfs/dbraw/zinc/14/95/04/564149504.db2.gz VBIIFRKZRINVFS-SNVBAGLBSA-N 1 2 349.818 3.635 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000008215995 564163624 /nfs/dbraw/zinc/16/36/24/564163624.db2.gz DKZPZSZGILIYRA-GOSISDBHSA-N 1 2 349.365 3.825 50 0 EHAALO Cc1ccc2cc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c(C)nc2c1 ZINC000069899560 564172699 /nfs/dbraw/zinc/17/26/99/564172699.db2.gz JXMJWKIQPVKYQJ-KRWDZBQOSA-N 1 2 334.423 3.525 50 0 EHAALO CC(C)Cc1nnc([C@H](C)[N@H+]2CC=C(c3ccc(O)cc3)CC2)o1 ZINC000069968569 564172905 /nfs/dbraw/zinc/17/29/05/564172905.db2.gz GUCKCFMULTXJCE-AWEZNQCLSA-N 1 2 327.428 3.824 50 0 EHAALO CC(C)Cc1nnc([C@H](C)[N@@H+]2CC=C(c3ccc(O)cc3)CC2)o1 ZINC000069968569 564172906 /nfs/dbraw/zinc/17/29/06/564172906.db2.gz GUCKCFMULTXJCE-AWEZNQCLSA-N 1 2 327.428 3.824 50 0 EHAALO c1coc(CNc2nc(NCc3ccccn3)[nH+]c3ccccc32)c1 ZINC000041151351 564173536 /nfs/dbraw/zinc/17/35/36/564173536.db2.gz HFTGCRARVSJLKV-UHFFFAOYSA-N 1 2 331.379 3.842 50 0 EHAALO CSc1ccccc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056527881 1027519244 /nfs/dbraw/zinc/51/92/44/1027519244.db2.gz JGTCHEJYOYXVSQ-UHFFFAOYSA-N 1 2 338.436 3.916 50 0 EHAALO Cn1c[nH+]cc1CCC(=O)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000527006210 1120999678 /nfs/dbraw/zinc/99/96/78/1120999678.db2.gz TYCXAHONISTYKF-SIJIIQCFSA-N 1 2 343.496 3.899 50 0 EHAALO Cc1c[nH+]c(-c2ccncc2)n1[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000581808014 1132370613 /nfs/dbraw/zinc/37/06/13/1132370613.db2.gz RDLHVXPHCDEWEM-SFHVURJKSA-N 1 2 338.455 3.607 50 0 EHAALO COCc1[nH+]cc(C)n1CC1CCN(C(=O)CC2CCCCC2)CC1 ZINC000581808889 1132371183 /nfs/dbraw/zinc/37/11/83/1132371183.db2.gz XCWLPKZTHCORTN-UHFFFAOYSA-N 1 2 347.503 3.547 50 0 EHAALO C[C@@H](c1ccccc1)[N@H+](C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000952884204 1137483419 /nfs/dbraw/zinc/48/34/19/1137483419.db2.gz VZYSVIHMLXNSAJ-JSGCOSHPSA-N 1 2 338.377 3.596 50 0 EHAALO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000952884204 1137483420 /nfs/dbraw/zinc/48/34/20/1137483420.db2.gz VZYSVIHMLXNSAJ-JSGCOSHPSA-N 1 2 338.377 3.596 50 0 EHAALO Cc1nc(NC(=O)C[N@@H+](C)Cc2ccco2)sc1-c1ccccc1 ZINC000051563797 214096179 /nfs/dbraw/zinc/09/61/79/214096179.db2.gz XLYDBULMYHZZLH-UHFFFAOYSA-N 1 2 341.436 3.782 50 0 EHAALO Cc1nc(NC(=O)C[N@H+](C)Cc2ccco2)sc1-c1ccccc1 ZINC000051563797 214096182 /nfs/dbraw/zinc/09/61/82/214096182.db2.gz XLYDBULMYHZZLH-UHFFFAOYSA-N 1 2 341.436 3.782 50 0 EHAALO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000052163172 214120337 /nfs/dbraw/zinc/12/03/37/214120337.db2.gz ZXENZRMLAXBDCO-LBPRGKRZSA-N 1 2 328.803 3.978 50 0 EHAALO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000052163172 214120339 /nfs/dbraw/zinc/12/03/39/214120339.db2.gz ZXENZRMLAXBDCO-LBPRGKRZSA-N 1 2 328.803 3.978 50 0 EHAALO Clc1cccc2ccc(C[N@@H+]3CCO[C@H](c4cccnc4)C3)nc12 ZINC000097729562 219051128 /nfs/dbraw/zinc/05/11/28/219051128.db2.gz VRWNUGROCTUYSU-SFHVURJKSA-N 1 2 339.826 3.857 50 0 EHAALO Clc1cccc2ccc(C[N@H+]3CCO[C@H](c4cccnc4)C3)nc12 ZINC000097729562 219051130 /nfs/dbraw/zinc/05/11/30/219051130.db2.gz VRWNUGROCTUYSU-SFHVURJKSA-N 1 2 339.826 3.857 50 0 EHAALO Fc1ccc2[nH]c(CCCNc3nccc(-c4ccccn4)n3)[nH+]c2c1 ZINC000097729524 219051169 /nfs/dbraw/zinc/05/11/69/219051169.db2.gz HOSZKUSZUBYWJV-UHFFFAOYSA-N 1 2 348.385 3.599 50 0 EHAALO COc1cccc(CN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)C2CC2)c1 ZINC000097745089 219053282 /nfs/dbraw/zinc/05/32/82/219053282.db2.gz NZTVJUCNXHXPSM-UHFFFAOYSA-N 1 2 347.418 3.890 50 0 EHAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000068938815 215347012 /nfs/dbraw/zinc/34/70/12/215347012.db2.gz YQIZHNHFRNWFPF-GFCCVEGCSA-N 1 2 349.356 3.896 50 0 EHAALO O=C(Nc1cccc(OC(F)F)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038488725 213209910 /nfs/dbraw/zinc/20/99/10/213209910.db2.gz UVECHBRKLCADSN-UHFFFAOYSA-N 1 2 343.333 3.785 50 0 EHAALO C[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000032674399 212825935 /nfs/dbraw/zinc/82/59/35/212825935.db2.gz DAJJXTYLGSQILD-MRXNPFEDSA-N 1 2 345.446 3.781 50 0 EHAALO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](OCc2ccccn2)C1 ZINC000072125631 216016766 /nfs/dbraw/zinc/01/67/66/216016766.db2.gz RVAGLZPYLLYUNV-HNNXBMFYSA-N 1 2 348.393 3.550 50 0 EHAALO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](OCc2ccccn2)C1 ZINC000072125631 216016769 /nfs/dbraw/zinc/01/67/69/216016769.db2.gz RVAGLZPYLLYUNV-HNNXBMFYSA-N 1 2 348.393 3.550 50 0 EHAALO CS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccc(F)c2)cc1 ZINC000072149972 216037921 /nfs/dbraw/zinc/03/79/21/216037921.db2.gz MJQFMDPOQUUPOW-LJQANCHMSA-N 1 2 347.455 3.956 50 0 EHAALO CS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2cccc(F)c2)cc1 ZINC000072149972 216037923 /nfs/dbraw/zinc/03/79/23/216037923.db2.gz MJQFMDPOQUUPOW-LJQANCHMSA-N 1 2 347.455 3.956 50 0 EHAALO COc1ccccc1OC1C[NH+](Cc2cc3cc(F)ccc3n2C)C1 ZINC000072170306 216062433 /nfs/dbraw/zinc/06/24/33/216062433.db2.gz SBCPWQPPUBPSCG-UHFFFAOYSA-N 1 2 340.398 3.589 50 0 EHAALO O=C(CCSCc1ccc(F)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072409454 216201092 /nfs/dbraw/zinc/20/10/92/216201092.db2.gz BKDCOSXNPBGMMW-UHFFFAOYSA-N 1 2 347.459 3.578 50 0 EHAALO Cc1nn2c(nc(C)cc2N(C)CCc2[nH]c3c(cccc3C)[nH+]2)c1C ZINC000072435567 216230341 /nfs/dbraw/zinc/23/03/41/216230341.db2.gz ZLISMGZMMHBXBJ-UHFFFAOYSA-N 1 2 348.454 3.518 50 0 EHAALO Cc1nn2c(nc(C)cc2N(C)CCc2[nH]c3cccc(C)c3[nH+]2)c1C ZINC000072435567 216230343 /nfs/dbraw/zinc/23/03/43/216230343.db2.gz ZLISMGZMMHBXBJ-UHFFFAOYSA-N 1 2 348.454 3.518 50 0 EHAALO Cc1nc(-c2ccccc2C[N@@H+]2CCC3(CCCC3)C2)[nH]c(=O)c1F ZINC000023153543 212357041 /nfs/dbraw/zinc/35/70/41/212357041.db2.gz HZPJUFPUAGYUTA-UHFFFAOYSA-N 1 2 341.430 3.651 50 0 EHAALO Cc1nc(-c2ccccc2C[N@H+]2CCC3(CCCC3)C2)[nH]c(=O)c1F ZINC000023153543 212357043 /nfs/dbraw/zinc/35/70/43/212357043.db2.gz HZPJUFPUAGYUTA-UHFFFAOYSA-N 1 2 341.430 3.651 50 0 EHAALO O=C(NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022907008 212333515 /nfs/dbraw/zinc/33/35/15/212333515.db2.gz IDECLVKIMHUSSS-FQEVSTJZSA-N 1 2 346.430 3.809 50 0 EHAALO O=C(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022907008 212333518 /nfs/dbraw/zinc/33/35/18/212333518.db2.gz IDECLVKIMHUSSS-FQEVSTJZSA-N 1 2 346.430 3.809 50 0 EHAALO CC(C)Oc1ccc(C[N@H+](Cc2nccs2)C2CC2)cc1CO ZINC000215491305 241129133 /nfs/dbraw/zinc/12/91/33/241129133.db2.gz LAHCOMJXDGYGQG-UHFFFAOYSA-N 1 2 332.469 3.587 50 0 EHAALO CC(C)Oc1ccc(C[N@@H+](Cc2nccs2)C2CC2)cc1CO ZINC000215491305 241129136 /nfs/dbraw/zinc/12/91/36/241129136.db2.gz LAHCOMJXDGYGQG-UHFFFAOYSA-N 1 2 332.469 3.587 50 0 EHAALO CSCCc1n[nH]c2c1C[N@H+](Cc1cc3ccccc3o1)CC2 ZINC000020779757 212171584 /nfs/dbraw/zinc/17/15/84/212171584.db2.gz WUQKSZPNBCYFAL-UHFFFAOYSA-N 1 2 327.453 3.620 50 0 EHAALO CSCCc1n[nH]c2c1C[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC000020779757 212171585 /nfs/dbraw/zinc/17/15/85/212171585.db2.gz WUQKSZPNBCYFAL-UHFFFAOYSA-N 1 2 327.453 3.620 50 0 EHAALO CSCCc1[nH]nc2c1C[N@H+](Cc1cc3ccccc3o1)CC2 ZINC000020779757 212171587 /nfs/dbraw/zinc/17/15/87/212171587.db2.gz WUQKSZPNBCYFAL-UHFFFAOYSA-N 1 2 327.453 3.620 50 0 EHAALO CSCCc1[nH]nc2c1C[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC000020779757 212171589 /nfs/dbraw/zinc/17/15/89/212171589.db2.gz WUQKSZPNBCYFAL-UHFFFAOYSA-N 1 2 327.453 3.620 50 0 EHAALO COc1c[nH]c(C[N@H+](Cc2ccco2)Cc2cccs2)cc1=O ZINC000244872858 243089432 /nfs/dbraw/zinc/08/94/32/243089432.db2.gz WFQPPRKRLAPKJC-UHFFFAOYSA-N 1 2 330.409 3.653 50 0 EHAALO COc1c[nH]c(C[N@@H+](Cc2ccco2)Cc2cccs2)cc1=O ZINC000244872858 243089437 /nfs/dbraw/zinc/08/94/37/243089437.db2.gz WFQPPRKRLAPKJC-UHFFFAOYSA-N 1 2 330.409 3.653 50 0 EHAALO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC000076474081 216775003 /nfs/dbraw/zinc/77/50/03/216775003.db2.gz AYBBUNMIPJBUOQ-KRWDZBQOSA-N 1 2 339.464 3.743 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(F)cc1)[NH+]1CCCCC1)S2 ZINC000020216018 212111670 /nfs/dbraw/zinc/11/16/70/212111670.db2.gz MITBRDWKVSIAEP-AWEZNQCLSA-N 1 2 346.431 3.519 50 0 EHAALO Cc1cc(C)c(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000020168066 212108524 /nfs/dbraw/zinc/10/85/24/212108524.db2.gz OKXJVJAKOAJGBF-KBPBESRZSA-N 1 2 342.277 3.554 50 0 EHAALO Cc1[nH]c([C@@H]2CC(=O)N(C(C)(C)C)C2)[nH+]c1-c1ccc(F)cc1F ZINC000019956815 212089246 /nfs/dbraw/zinc/08/92/46/212089246.db2.gz RLWSXKFYPIQZKX-LLVKDONJSA-N 1 2 333.382 3.778 50 0 EHAALO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000019841809 212075083 /nfs/dbraw/zinc/07/50/83/212075083.db2.gz XIGYMVNPANIKIR-UHFFFAOYSA-N 1 2 342.870 3.860 50 0 EHAALO Cc1ccccc1Cn1c2ccccc2n(C[C@H](O)c2ccco2)c1=[NH2+] ZINC000019789943 212066980 /nfs/dbraw/zinc/06/69/80/212066980.db2.gz UDLMFXDAJFEHBX-IBGZPJMESA-N 1 2 347.418 3.606 50 0 EHAALO O=C(Cc1ccc2ccccc2c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000019741307 212060527 /nfs/dbraw/zinc/06/05/27/212060527.db2.gz LUMCREIHBXPHRZ-UHFFFAOYSA-N 1 2 341.414 3.884 50 0 EHAALO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)c(F)c1 ZINC000082125942 217472693 /nfs/dbraw/zinc/47/26/93/217472693.db2.gz JWYLCHSKNAWRQH-MRXNPFEDSA-N 1 2 341.430 3.760 50 0 EHAALO CCCOc1ccccc1C(=O)N1CCC[C@H](c2[nH+]ccn2CC)C1 ZINC000091595593 218029674 /nfs/dbraw/zinc/02/96/74/218029674.db2.gz PYJGGJBFJWNLCV-INIZCTEOSA-N 1 2 341.455 3.712 50 0 EHAALO COc1ccc(C(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)c(C)c1 ZINC000091830303 218073290 /nfs/dbraw/zinc/07/32/90/218073290.db2.gz KRTWXXPNRSVAMS-UHFFFAOYSA-N 1 2 341.455 3.801 50 0 EHAALO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)NCc3[nH]cc[nH+]3)c2)C1 ZINC000092030678 218106421 /nfs/dbraw/zinc/10/64/21/218106421.db2.gz FSOSIRQFYGRNJP-PBHICJAKSA-N 1 2 342.443 3.827 50 0 EHAALO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000092729982 218162961 /nfs/dbraw/zinc/16/29/61/218162961.db2.gz BDVFIMSYHFFTME-QGZVFWFLSA-N 1 2 337.427 3.536 50 0 EHAALO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000092729982 218162963 /nfs/dbraw/zinc/16/29/63/218162963.db2.gz BDVFIMSYHFFTME-QGZVFWFLSA-N 1 2 337.427 3.536 50 0 EHAALO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000009314750 211065282 /nfs/dbraw/zinc/06/52/82/211065282.db2.gz LXAYLTQWWYMUBN-UHFFFAOYSA-N 1 2 347.340 3.574 50 0 EHAALO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000009314750 211065284 /nfs/dbraw/zinc/06/52/84/211065284.db2.gz LXAYLTQWWYMUBN-UHFFFAOYSA-N 1 2 347.340 3.574 50 0 EHAALO C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009219995 211054670 /nfs/dbraw/zinc/05/46/70/211054670.db2.gz GSODXSXBEYGPJM-OAHLLOKOSA-N 1 2 342.402 3.912 50 0 EHAALO COc1ccc(OC)c(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000095377580 218309586 /nfs/dbraw/zinc/30/95/86/218309586.db2.gz OQLUDNKCYVGCKR-NRFANRHFSA-N 1 2 334.419 3.978 50 0 EHAALO CCCNc1nnc(SCc2cn3cc(Cl)ccc3[nH+]2)s1 ZINC000008778787 211006958 /nfs/dbraw/zinc/00/69/58/211006958.db2.gz YSDFGHAMQCKBMI-UHFFFAOYSA-N 1 2 339.877 3.953 50 0 EHAALO CSc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000008778297 211006712 /nfs/dbraw/zinc/00/67/12/211006712.db2.gz DIKPHNGMRQCFLA-LLVKDONJSA-N 1 2 332.391 3.621 50 0 EHAALO CSc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000008778297 211006715 /nfs/dbraw/zinc/00/67/15/211006715.db2.gz DIKPHNGMRQCFLA-LLVKDONJSA-N 1 2 332.391 3.621 50 0 EHAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000095383571 218316144 /nfs/dbraw/zinc/31/61/44/218316144.db2.gz DFTJIFVHPBIGDR-KRWDZBQOSA-N 1 2 341.455 3.639 50 0 EHAALO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(F)cccc2F)c1 ZINC000008749466 210999933 /nfs/dbraw/zinc/99/99/33/210999933.db2.gz OJXBORGPIMAIRG-KRWDZBQOSA-N 1 2 346.377 3.749 50 0 EHAALO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2c(F)cccc2F)c1 ZINC000008749466 210999935 /nfs/dbraw/zinc/99/99/35/210999935.db2.gz OJXBORGPIMAIRG-KRWDZBQOSA-N 1 2 346.377 3.749 50 0 EHAALO Cc1ncsc1CC[N@@H+](C)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000095399436 218333036 /nfs/dbraw/zinc/33/30/36/218333036.db2.gz KRJADRBGGPZPMR-KRWDZBQOSA-N 1 2 342.443 3.645 50 0 EHAALO Cc1ncsc1CC[N@H+](C)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000095399436 218333038 /nfs/dbraw/zinc/33/30/38/218333038.db2.gz KRJADRBGGPZPMR-KRWDZBQOSA-N 1 2 342.443 3.645 50 0 EHAALO C[C@H]([NH2+][C@@H](c1cccnc1)c1ccc(F)c(F)c1)c1cnn(C)c1 ZINC000095421797 218364173 /nfs/dbraw/zinc/36/41/73/218364173.db2.gz IBPQXGNYCPLDBI-KPZWWZAWSA-N 1 2 328.366 3.534 50 0 EHAALO C[C@H](c1ccccn1)[N@H+](CC(=O)NC1CCCC1)Cc1ccccc1 ZINC000095456002 218399813 /nfs/dbraw/zinc/39/98/13/218399813.db2.gz LFNIGGAJYPXWSY-QGZVFWFLSA-N 1 2 337.467 3.704 50 0 EHAALO C[C@H](c1ccccn1)[N@@H+](CC(=O)NC1CCCC1)Cc1ccccc1 ZINC000095456002 218399815 /nfs/dbraw/zinc/39/98/15/218399815.db2.gz LFNIGGAJYPXWSY-QGZVFWFLSA-N 1 2 337.467 3.704 50 0 EHAALO Cc1nnc(C[NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)n1C ZINC000097233251 219001175 /nfs/dbraw/zinc/00/11/75/219001175.db2.gz TXBRDXOPPGSQMS-GOSISDBHSA-N 1 2 326.831 3.656 50 0 EHAALO Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000097372621 219016471 /nfs/dbraw/zinc/01/64/71/219016471.db2.gz ULWSZUHPJNBKLO-JTQLQIEISA-N 1 2 337.427 3.913 50 0 EHAALO Cc1nnc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)o1 ZINC000097491713 219029280 /nfs/dbraw/zinc/02/92/80/219029280.db2.gz IFYFGTSYWFIBCV-UHFFFAOYSA-N 1 2 332.791 3.552 50 0 EHAALO O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000281680981 258013598 /nfs/dbraw/zinc/01/35/98/258013598.db2.gz ZSVNRJIDGCWYJS-DJIMGWMZSA-N 1 2 342.418 3.732 50 0 EHAALO CC(C)c1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000055060431 132193602 /nfs/dbraw/zinc/19/36/02/132193602.db2.gz WFKHUDVRMCIVIJ-UHFFFAOYSA-N 1 2 337.467 3.571 50 0 EHAALO Cc1cccc(N2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c1C ZINC000055165852 132194382 /nfs/dbraw/zinc/19/43/82/132194382.db2.gz LVMRTHLTJDIZTI-UHFFFAOYSA-N 1 2 348.450 3.676 50 0 EHAALO CCOc1ccccc1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000055543618 132195543 /nfs/dbraw/zinc/19/55/43/132195543.db2.gz HGTHKKDWDRPEGV-UHFFFAOYSA-N 1 2 332.394 3.686 50 0 EHAALO Cc1cccc(-c2nnc([C@H](C)[NH+]3CCN(c4ccccc4)CC3)o2)c1 ZINC000057323197 132199609 /nfs/dbraw/zinc/19/96/09/132199609.db2.gz ALOKSDKMCDEUEF-KRWDZBQOSA-N 1 2 348.450 3.928 50 0 EHAALO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057442347 132200777 /nfs/dbraw/zinc/20/07/77/132200777.db2.gz GHWUZIBTNMWIRY-CQSZACIVSA-N 1 2 340.452 3.681 50 0 EHAALO COc1ccc(C[N@@H+]2CCN(c3ccc(C)c(C)c3)C(=O)[C@H]2C)cc1 ZINC000037519865 132394751 /nfs/dbraw/zinc/39/47/51/132394751.db2.gz ABVWOEKITRHTBU-QGZVFWFLSA-N 1 2 338.451 3.549 50 0 EHAALO COc1ccc(C[N@H+]2CCN(c3ccc(C)c(C)c3)C(=O)[C@H]2C)cc1 ZINC000037519865 132394752 /nfs/dbraw/zinc/39/47/52/132394752.db2.gz ABVWOEKITRHTBU-QGZVFWFLSA-N 1 2 338.451 3.549 50 0 EHAALO O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCC(n2cc[nH+]c2)CC1 ZINC000171354583 534777162 /nfs/dbraw/zinc/77/71/62/534777162.db2.gz TZRVOIMUHIQPFV-QGZVFWFLSA-N 1 2 344.846 3.571 50 0 EHAALO C[C@@H](Nc1nc(N2CCOCC2)[nH+]c2ccccc21)c1ccccc1 ZINC000000568538 563348302 /nfs/dbraw/zinc/34/83/02/563348302.db2.gz XHYVKNDONGWIHK-OAHLLOKOSA-N 1 2 334.423 3.640 50 0 EHAALO C[C@@H]1C[C@H](C)CN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)C1 ZINC000012615371 563665367 /nfs/dbraw/zinc/66/53/67/563665367.db2.gz WTNKZJVGLHPLRW-BETUJISGSA-N 1 2 341.846 3.951 50 0 EHAALO S=c1n(C2CC2)cnn1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000014202852 563750903 /nfs/dbraw/zinc/75/09/03/563750903.db2.gz VSLXHNDENKSBFA-UHFFFAOYSA-N 1 2 328.485 3.661 50 0 EHAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(F)cc3)n2)C1 ZINC000015589984 563788014 /nfs/dbraw/zinc/78/80/14/563788014.db2.gz GAIVKBWIYAPQHQ-LBPRGKRZSA-N 1 2 333.432 3.766 50 0 EHAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(F)cc3)n2)C1 ZINC000015589984 563788017 /nfs/dbraw/zinc/78/80/17/563788017.db2.gz GAIVKBWIYAPQHQ-LBPRGKRZSA-N 1 2 333.432 3.766 50 0 EHAALO C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCN(c2ccccc2)CC1 ZINC000026808323 563893363 /nfs/dbraw/zinc/89/33/63/563893363.db2.gz TWFJDZAGCMTHDS-CQSZACIVSA-N 1 2 340.452 3.681 50 0 EHAALO O=C(C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1)N1CCCCC1 ZINC000058341391 563942882 /nfs/dbraw/zinc/94/28/82/563942882.db2.gz VJCGOAYBYPZGSO-MRXNPFEDSA-N 1 2 343.496 3.836 50 0 EHAALO O=C(C[N@H+]1CCCC[C@@H]1c1nc2ccccc2s1)N1CCCCC1 ZINC000058341391 563942883 /nfs/dbraw/zinc/94/28/83/563942883.db2.gz VJCGOAYBYPZGSO-MRXNPFEDSA-N 1 2 343.496 3.836 50 0 EHAALO CNc1ccc(Nc2nc(-c3cccnc3)nc3ccccc32)c[nH+]1 ZINC000058394155 563944877 /nfs/dbraw/zinc/94/48/77/563944877.db2.gz JGTRLMIDRQSADX-UHFFFAOYSA-N 1 2 328.379 3.872 50 0 EHAALO CCOCc1ccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000096461747 563954168 /nfs/dbraw/zinc/95/41/68/563954168.db2.gz UONOEVQHGOIKLH-INIZCTEOSA-N 1 2 328.416 3.705 50 0 EHAALO CCCc1c[nH+]c(C)nc1N1CCC(CO)(Cc2ccccc2)CC1 ZINC000067872527 563962976 /nfs/dbraw/zinc/96/29/76/563962976.db2.gz AKSJSLPIFRGEBK-UHFFFAOYSA-N 1 2 339.483 3.559 50 0 EHAALO Clc1ccc([C@@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)CCO2)cc1 ZINC000071614474 563964654 /nfs/dbraw/zinc/96/46/54/563964654.db2.gz OWDPXCJYAAUJIO-SFHVURJKSA-N 1 2 343.814 3.897 50 0 EHAALO Clc1ccc([C@@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CCO2)cc1 ZINC000071614474 563964655 /nfs/dbraw/zinc/96/46/55/563964655.db2.gz OWDPXCJYAAUJIO-SFHVURJKSA-N 1 2 343.814 3.897 50 0 EHAALO CCn1c2ccccc2c2cc(-c3[nH+]ccn3CCNC(C)=O)ccc21 ZINC000071752851 563965206 /nfs/dbraw/zinc/96/52/06/563965206.db2.gz ARTTULRJMGBKBI-UHFFFAOYSA-N 1 2 346.434 3.814 50 0 EHAALO Cc1ccc(C2=NN(C[NH+]3CCCCC3)C(=O)[C@H]3CCCC[C@@H]23)cc1 ZINC000071782588 563965799 /nfs/dbraw/zinc/96/57/99/563965799.db2.gz AZBSOQZPYUMIOP-MOPGFXCFSA-N 1 2 339.483 3.791 50 0 EHAALO O=C(c1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1)N1CCCCC1 ZINC000033264739 563966503 /nfs/dbraw/zinc/96/65/03/563966503.db2.gz JYMWTJZRJCIKOJ-UHFFFAOYSA-N 1 2 333.435 3.974 50 0 EHAALO c1cn(Cc2ccc(N3CCC(OCc4ccccc4)CC3)nc2)c[nH+]1 ZINC000077299545 563968846 /nfs/dbraw/zinc/96/88/46/563968846.db2.gz SEGCXBRCKJLTNG-UHFFFAOYSA-N 1 2 348.450 3.512 50 0 EHAALO O=C(c1ccc(Oc2ccccc2)o1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077320080 563968926 /nfs/dbraw/zinc/96/89/26/563968926.db2.gz DYRQAOANLLDNIG-CQSZACIVSA-N 1 2 337.379 3.815 50 0 EHAALO Cc1cc(C(=O)NCC[C@@H](C)n2cc[nH+]c2)c2ccc(C)c(C)c2n1 ZINC000077342486 563969054 /nfs/dbraw/zinc/96/90/54/563969054.db2.gz LFQLVFYKOKINKZ-OAHLLOKOSA-N 1 2 336.439 3.738 50 0 EHAALO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccnc1 ZINC000097007196 563970995 /nfs/dbraw/zinc/97/09/95/563970995.db2.gz PIDNNYXSDYHHSE-UHFFFAOYSA-N 1 2 337.345 3.561 50 0 EHAALO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccnc1 ZINC000097007196 563970996 /nfs/dbraw/zinc/97/09/96/563970996.db2.gz PIDNNYXSDYHHSE-UHFFFAOYSA-N 1 2 337.345 3.561 50 0 EHAALO O[C@H](Cn1cc[nH+]c1-c1cc(F)ccc1-n1cccn1)c1ccccc1 ZINC000082098038 563972236 /nfs/dbraw/zinc/97/22/36/563972236.db2.gz OLMZOBUSNKCYJU-LJQANCHMSA-N 1 2 348.381 3.609 50 0 EHAALO O=C(NC1CCCCC1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082147589 563972689 /nfs/dbraw/zinc/97/26/89/563972689.db2.gz IHSDMFDHPXKHJU-UHFFFAOYSA-N 1 2 330.476 3.515 50 0 EHAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)CCc1ccc(-c3ccccc3)o1)C2 ZINC000097198353 563973233 /nfs/dbraw/zinc/97/32/33/563973233.db2.gz MTXYUCUSMPKRHA-KRWDZBQOSA-N 1 2 349.434 3.515 50 0 EHAALO CCc1cc(C(=O)NCCCn2cc[nH+]c2)sc1-c1ccccc1 ZINC000585152393 563974336 /nfs/dbraw/zinc/97/43/36/563974336.db2.gz YNQOOSHARZURCW-UHFFFAOYSA-N 1 2 339.464 3.994 50 0 EHAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000000243056 563989210 /nfs/dbraw/zinc/98/92/10/563989210.db2.gz QJJJUAHBIDTTRD-GOSISDBHSA-N 1 2 332.403 3.938 50 0 EHAALO COc1ccccc1[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccco1 ZINC000178870806 563995743 /nfs/dbraw/zinc/99/57/43/563995743.db2.gz PAIWNUVNNODLIJ-HXUWFJFHSA-N 1 2 333.391 3.815 50 0 EHAALO CCc1nc([C@@H]2CCC[N@@H+]2CCCc2nc3ccccc3o2)no1 ZINC000075573266 564000525 /nfs/dbraw/zinc/00/05/25/564000525.db2.gz SOQMKLKGZPCDOS-AWEZNQCLSA-N 1 2 326.400 3.543 50 0 EHAALO CCc1nc([C@@H]2CCC[N@H+]2CCCc2nc3ccccc3o2)no1 ZINC000075573266 564000526 /nfs/dbraw/zinc/00/05/26/564000526.db2.gz SOQMKLKGZPCDOS-AWEZNQCLSA-N 1 2 326.400 3.543 50 0 EHAALO Clc1ccc2[nH+]c(CSc3nncn3-c3ccccc3)cn2c1 ZINC000017353248 564011714 /nfs/dbraw/zinc/01/17/14/564011714.db2.gz CALXCZKRVQPDQM-UHFFFAOYSA-N 1 2 341.827 3.861 50 0 EHAALO Cc1cncc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000189970186 564016883 /nfs/dbraw/zinc/01/68/83/564016883.db2.gz KWJDBGFQSGTBSH-DLBZAZTESA-N 1 2 336.357 3.717 50 0 EHAALO Cc1cncc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000189970186 564016884 /nfs/dbraw/zinc/01/68/84/564016884.db2.gz KWJDBGFQSGTBSH-DLBZAZTESA-N 1 2 336.357 3.717 50 0 EHAALO Cc1ccc(-c2ccc(=O)n(C[N@@H+]3CCC[C@@H]3C3CCC3)n2)s1 ZINC000102885634 564020906 /nfs/dbraw/zinc/02/09/06/564020906.db2.gz MVADLUJOJCIPNN-MRXNPFEDSA-N 1 2 329.469 3.502 50 0 EHAALO Cc1ccc(-c2ccc(=O)n(C[N@H+]3CCC[C@@H]3C3CCC3)n2)s1 ZINC000102885634 564020907 /nfs/dbraw/zinc/02/09/07/564020907.db2.gz MVADLUJOJCIPNN-MRXNPFEDSA-N 1 2 329.469 3.502 50 0 EHAALO COc1ccccc1[C@H](NC(=O)CC1CCCCC1)c1[nH+]ccn1C ZINC000044890338 564027665 /nfs/dbraw/zinc/02/76/65/564027665.db2.gz AKSFTCYCEJAZJV-IBGZPJMESA-N 1 2 341.455 3.605 50 0 EHAALO CCc1nc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2OC)sc1C ZINC000048365185 564031501 /nfs/dbraw/zinc/03/15/01/564031501.db2.gz RSRQIKMCBLQMBQ-GFCCVEGCSA-N 1 2 347.484 3.654 50 0 EHAALO CCc1nc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2OC)sc1C ZINC000048365185 564031502 /nfs/dbraw/zinc/03/15/02/564031502.db2.gz RSRQIKMCBLQMBQ-GFCCVEGCSA-N 1 2 347.484 3.654 50 0 EHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cc(F)ccc1F ZINC000048936229 564032359 /nfs/dbraw/zinc/03/23/59/564032359.db2.gz DTYOKEVOUQDGNR-UHFFFAOYSA-N 1 2 345.393 3.670 50 0 EHAALO Cc1[nH+]c2ccccc2n1CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000007200473 564034201 /nfs/dbraw/zinc/03/42/01/564034201.db2.gz HZEACKBVXZAUNR-UHFFFAOYSA-N 1 2 331.419 3.661 50 0 EHAALO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000008118051 564034796 /nfs/dbraw/zinc/03/47/96/564034796.db2.gz ZMCQDVAZWZRWPO-QGZVFWFLSA-N 1 2 339.826 3.901 50 0 EHAALO Cc1cc(C)c(CNC(=O)[C@H]2CCCc3c4ccccc4[nH]c32)c[nH+]1 ZINC000220491709 564035892 /nfs/dbraw/zinc/03/58/92/564035892.db2.gz KJRRJUDGMVUXQP-SFHVURJKSA-N 1 2 333.435 3.916 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)C1CC1 ZINC000222501941 564036893 /nfs/dbraw/zinc/03/68/93/564036893.db2.gz LQGMRBRCQJWXJF-INIZCTEOSA-N 1 2 343.858 3.763 50 0 EHAALO O=S(=O)(Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2ccccc2c1 ZINC000225685373 564049350 /nfs/dbraw/zinc/04/93/50/564049350.db2.gz JIUJZHIDPGMGGD-UHFFFAOYSA-N 1 2 348.427 3.999 50 0 EHAALO CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1c[nH+]cn1Cc1ccccc1 ZINC000244795078 564052287 /nfs/dbraw/zinc/05/22/87/564052287.db2.gz QZBVFIIEIYNTND-UHFFFAOYSA-N 1 2 337.471 3.584 50 0 EHAALO O=C(c1cccc(N[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1)N1CCCC1 ZINC000129268196 564054486 /nfs/dbraw/zinc/05/44/86/564054486.db2.gz DDAUYNLSSGNVSO-LJQANCHMSA-N 1 2 346.434 3.847 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000012530361 564058289 /nfs/dbraw/zinc/05/82/89/564058289.db2.gz DEPBCGSHESJHMM-GOEBONIOSA-N 1 2 329.831 3.635 50 0 EHAALO CCCCc1[nH+]c2ccccc2n1Cc1cc(=O)n2cc(C)ccc2n1 ZINC000012540154 564058585 /nfs/dbraw/zinc/05/85/85/564058585.db2.gz MBMNONSELDQQCE-UHFFFAOYSA-N 1 2 346.434 3.744 50 0 EHAALO Cc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1 ZINC000012559590 564059434 /nfs/dbraw/zinc/05/94/34/564059434.db2.gz JQXQWVMWVORTEA-QGZVFWFLSA-N 1 2 338.386 3.779 50 0 EHAALO O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)c1c[nH]nc1C1CC1 ZINC000184298066 564061813 /nfs/dbraw/zinc/06/18/13/564061813.db2.gz KHJNZQUJHHXPNM-UHFFFAOYSA-N 1 2 347.422 3.739 50 0 EHAALO O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)c1cn[nH]c1C1CC1 ZINC000184298066 564061814 /nfs/dbraw/zinc/06/18/14/564061814.db2.gz KHJNZQUJHHXPNM-UHFFFAOYSA-N 1 2 347.422 3.739 50 0 EHAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000084017142 564065844 /nfs/dbraw/zinc/06/58/44/564065844.db2.gz WNQQEKHMNIPKKP-ZWKOTPCHSA-N 1 2 345.874 3.978 50 0 EHAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000084017142 564065845 /nfs/dbraw/zinc/06/58/45/564065845.db2.gz WNQQEKHMNIPKKP-ZWKOTPCHSA-N 1 2 345.874 3.978 50 0 EHAALO Clc1cccc(-c2noc(C[N@@H+]3CCc4ccccc4C3)n2)c1 ZINC000012780416 564069904 /nfs/dbraw/zinc/06/99/04/564069904.db2.gz NOPATHBFUISANX-UHFFFAOYSA-N 1 2 325.799 3.948 50 0 EHAALO Clc1cccc(-c2noc(C[N@H+]3CCc4ccccc4C3)n2)c1 ZINC000012780416 564069905 /nfs/dbraw/zinc/06/99/05/564069905.db2.gz NOPATHBFUISANX-UHFFFAOYSA-N 1 2 325.799 3.948 50 0 EHAALO COc1ccnc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c1OC ZINC000191057271 564084778 /nfs/dbraw/zinc/08/47/78/564084778.db2.gz UBCJLVBRGKSBHT-UHFFFAOYSA-N 1 2 334.366 3.546 50 0 EHAALO CC(C)CC(=O)N(Cc1[nH+]ccn1Cc1ccc(F)c(F)c1)C(C)C ZINC000006723880 564084851 /nfs/dbraw/zinc/08/48/51/564084851.db2.gz QMISRSLUPMJWEX-UHFFFAOYSA-N 1 2 349.425 3.993 50 0 EHAALO O=C(NC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000016478884 564087913 /nfs/dbraw/zinc/08/79/13/564087913.db2.gz JLXDFYFJTDDJBG-UHFFFAOYSA-N 1 2 342.870 3.982 50 0 EHAALO CCn1cc[nH+]c1CNc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000089310028 564089651 /nfs/dbraw/zinc/08/96/51/564089651.db2.gz HGDCQNLFOVTROA-DEOSSOPVSA-N 1 2 339.464 3.823 50 0 EHAALO CCc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1 ZINC000089506561 564090932 /nfs/dbraw/zinc/09/09/32/564090932.db2.gz CXMJNMPWPIDSGM-UHFFFAOYSA-N 1 2 348.328 3.651 50 0 EHAALO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1nc(N(C)C)no1 ZINC000192794477 564093250 /nfs/dbraw/zinc/09/32/50/564093250.db2.gz JNALXJOLPJGOJW-OAHLLOKOSA-N 1 2 342.468 3.579 50 0 EHAALO CC(C)c1ccc(C(=O)NCCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000065566599 564107504 /nfs/dbraw/zinc/10/75/04/564107504.db2.gz PSSQFUBGDJYIMJ-UHFFFAOYSA-N 1 2 339.361 3.541 50 0 EHAALO Cc1csc(-c2cccc(NC(=O)NCCCn3cc[nH+]c3)c2)n1 ZINC000071855081 564111357 /nfs/dbraw/zinc/11/13/57/564111357.db2.gz WXQKKCKTYVVREN-UHFFFAOYSA-N 1 2 341.440 3.527 50 0 EHAALO CC(C)c1nnc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)o1 ZINC000075863245 564113035 /nfs/dbraw/zinc/11/30/35/564113035.db2.gz CAOHVSLKMAMEID-CQSZACIVSA-N 1 2 348.878 3.725 50 0 EHAALO O=C(N[C@H](c1ccc(F)cc1)C1CC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000089782797 564113694 /nfs/dbraw/zinc/11/36/94/564113694.db2.gz NOHFGQPXCOKJIF-SJORKVTESA-N 1 2 342.418 3.937 50 0 EHAALO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000007922038 564125503 /nfs/dbraw/zinc/12/55/03/564125503.db2.gz UDDHKVZAMBIWLJ-ZDUSSCGKSA-N 1 2 325.437 3.928 50 0 EHAALO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000007922038 564125504 /nfs/dbraw/zinc/12/55/04/564125504.db2.gz UDDHKVZAMBIWLJ-ZDUSSCGKSA-N 1 2 325.437 3.928 50 0 EHAALO Cc1nc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)no1 ZINC000390833571 564138812 /nfs/dbraw/zinc/13/88/12/564138812.db2.gz JMMGYJBBRSBZMM-UHFFFAOYSA-N 1 2 325.334 3.956 50 0 EHAALO COc1ccc([C@H](C)[NH2+]Cc2ncc(C)o2)cc1Br ZINC000095984335 564143869 /nfs/dbraw/zinc/14/38/69/564143869.db2.gz XPYJNFKPJLEHNM-JTQLQIEISA-N 1 2 325.206 3.605 50 0 EHAALO O=C(c1ccccc1Cl)N(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000096097119 564145183 /nfs/dbraw/zinc/14/51/83/564145183.db2.gz PUBGXKRVLJKZOS-UHFFFAOYSA-N 1 2 325.799 3.793 50 0 EHAALO C[N@H+](Cc1ccc(Cl)cc1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000057516888 564154660 /nfs/dbraw/zinc/15/46/60/564154660.db2.gz YGFFAOMHKTYXEG-SFHVURJKSA-N 1 2 346.833 3.931 50 0 EHAALO C[N@@H+](Cc1ccc(Cl)cc1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000057516888 564154661 /nfs/dbraw/zinc/15/46/61/564154661.db2.gz YGFFAOMHKTYXEG-SFHVURJKSA-N 1 2 346.833 3.931 50 0 EHAALO Cc1[nH]c2ccc(CC(=O)NC[C@]3(c4ccccc4)CC3(C)C)cc2[nH+]1 ZINC000670458579 564160769 /nfs/dbraw/zinc/16/07/69/564160769.db2.gz AWBVAIMWXNHSJR-QFIPXVFZSA-N 1 2 347.462 3.898 50 0 EHAALO Cc1[nH]c2cc(CC(=O)NC[C@]3(c4ccccc4)CC3(C)C)ccc2[nH+]1 ZINC000670458579 564160770 /nfs/dbraw/zinc/16/07/70/564160770.db2.gz AWBVAIMWXNHSJR-QFIPXVFZSA-N 1 2 347.462 3.898 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc2c(c1)CCCC2 ZINC000008135082 564163124 /nfs/dbraw/zinc/16/31/24/564163124.db2.gz AEKSSVIVASOXMH-UHFFFAOYSA-N 1 2 333.435 3.654 50 0 EHAALO Cc1ccc(Cl)c(NC(=O)C[N@@H+](C)Cc2ccco2)c1Cl ZINC000008198584 564163499 /nfs/dbraw/zinc/16/34/99/564163499.db2.gz NIVRYCOHJVWNSP-UHFFFAOYSA-N 1 2 327.211 3.965 50 0 EHAALO Cc1ccc(Cl)c(NC(=O)C[N@H+](C)Cc2ccco2)c1Cl ZINC000008198584 564163500 /nfs/dbraw/zinc/16/35/00/564163500.db2.gz NIVRYCOHJVWNSP-UHFFFAOYSA-N 1 2 327.211 3.965 50 0 EHAALO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000008320745 564164368 /nfs/dbraw/zinc/16/43/68/564164368.db2.gz WCCHTLKXIFDZDM-MRXNPFEDSA-N 1 2 328.437 3.726 50 0 EHAALO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000008320745 564164369 /nfs/dbraw/zinc/16/43/69/564164369.db2.gz WCCHTLKXIFDZDM-MRXNPFEDSA-N 1 2 328.437 3.726 50 0 EHAALO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000008320573 564164386 /nfs/dbraw/zinc/16/43/86/564164386.db2.gz WKWMPVHESFASKG-MRXNPFEDSA-N 1 2 328.437 3.726 50 0 EHAALO CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000008320573 564164387 /nfs/dbraw/zinc/16/43/87/564164387.db2.gz WKWMPVHESFASKG-MRXNPFEDSA-N 1 2 328.437 3.726 50 0 EHAALO O=C(c1cc2cc(Cl)ccc2o1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069662359 564171389 /nfs/dbraw/zinc/17/13/89/564171389.db2.gz SPLDXCMQPYDVCO-AWEZNQCLSA-N 1 2 329.787 3.760 50 0 EHAALO CN(C(=O)c1ccc(F)cc1Cl)C1CCN(c2cccc[nH+]2)CC1 ZINC000069700444 564171614 /nfs/dbraw/zinc/17/16/14/564171614.db2.gz XKRIDKAUFGXJHR-UHFFFAOYSA-N 1 2 347.821 3.615 50 0 EHAALO O=C(c1ccc(Cl)c2cccnc12)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069920609 564172835 /nfs/dbraw/zinc/17/28/35/564172835.db2.gz JVHYXDVKEPFBCM-CYBMUJFWSA-N 1 2 340.814 3.562 50 0 EHAALO Cc1cc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000070038084 564173458 /nfs/dbraw/zinc/17/34/58/564173458.db2.gz WRKBAPXHMQVCAY-LPHOPBHVSA-N 1 2 346.434 3.813 50 0 EHAALO C[C@@H]1C[C@@H](C)CN(c2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)C1 ZINC000009518711 564174019 /nfs/dbraw/zinc/17/40/19/564174019.db2.gz YXHWPDWRDNSDTP-CHWSQXEVSA-N 1 2 341.846 3.951 50 0 EHAALO O=C(CCc1ccc(F)c(F)c1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000082126866 1030437995 /nfs/dbraw/zinc/43/79/95/1030437995.db2.gz GOPPFEGUPVVZPG-INIZCTEOSA-N 1 2 347.409 3.565 50 0 EHAALO Fc1ccc2c(c1)CCC[C@@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000182886634 1125387890 /nfs/dbraw/zinc/38/78/90/1125387890.db2.gz PEIPQIFPSHVLDB-SFHVURJKSA-N 1 2 327.403 3.547 50 0 EHAALO Cc1ccc(C(=O)N2CC(n3c(C)c[nH+]c3-c3ccccc3)C2)s1 ZINC000581808146 1132371071 /nfs/dbraw/zinc/37/10/71/1132371071.db2.gz VLVQYJVUKTVSDP-UHFFFAOYSA-N 1 2 337.448 3.926 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCN(C(=O)c2ccc(C)nc2)C1 ZINC000581808398 1132371140 /nfs/dbraw/zinc/37/11/40/1132371140.db2.gz TXRQSJPAYRSHGW-LJQANCHMSA-N 1 2 346.434 3.649 50 0 EHAALO CCCCc1nc(N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc(C)[nH+]1 ZINC000585082755 1136967669 /nfs/dbraw/zinc/96/76/69/1136967669.db2.gz YDNUBLVXNSHIJF-MOPGFXCFSA-N 1 2 339.483 3.730 50 0 EHAALO COc1c(C)c[nH+]c(CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1C ZINC000050448658 214056954 /nfs/dbraw/zinc/05/69/54/214056954.db2.gz XXFRUWSCMXSRHR-GJZGRUSLSA-N 1 2 344.842 3.780 50 0 EHAALO CCOC(=O)c1c[nH+]c2ccccc2c1NCc1c(C)noc1C ZINC000050931224 214073846 /nfs/dbraw/zinc/07/38/46/214073846.db2.gz ACNJDJHANOHURP-UHFFFAOYSA-N 1 2 325.368 3.628 50 0 EHAALO Cc1c(C(=O)Nc2ccccc2-n2cc[nH+]c2)oc2c1C(=O)CCC2 ZINC000052927032 214154701 /nfs/dbraw/zinc/15/47/01/214154701.db2.gz DOTYJOQBLIGQMZ-UHFFFAOYSA-N 1 2 335.363 3.545 50 0 EHAALO COc1ccc(C[N@H+](Cc2cccnc2)Cc2ccccc2OC)cn1 ZINC000055053262 214268003 /nfs/dbraw/zinc/26/80/03/214268003.db2.gz JXNBWEZQVWBZTL-UHFFFAOYSA-N 1 2 349.434 3.696 50 0 EHAALO COc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccccc2OC)cn1 ZINC000055053262 214268005 /nfs/dbraw/zinc/26/80/05/214268005.db2.gz JXNBWEZQVWBZTL-UHFFFAOYSA-N 1 2 349.434 3.696 50 0 EHAALO C[C@]12CC3CC(C(=O)NCc4cn5ccccc5[nH+]4)(C1)C[C@@](C)(C3)C2 ZINC000055341108 214309081 /nfs/dbraw/zinc/30/90/81/214309081.db2.gz NYDWVEOQRVDZEN-LVBDODCMSA-N 1 2 337.467 3.947 50 0 EHAALO CCC1=[NH+]c2c(cnn2-c2ccc(C)c(Cl)c2)C2=NCCCN12 ZINC000101511885 219129633 /nfs/dbraw/zinc/12/96/33/219129633.db2.gz XUNFPURUNJFNKL-UHFFFAOYSA-N 1 2 327.819 3.740 50 0 EHAALO Cc1ccc(-c2nc(CN3CCn4c(C)c(C)[nH+]c4C3)cs2)o1 ZINC000065585817 214968404 /nfs/dbraw/zinc/96/84/04/214968404.db2.gz QKZGQJYBEPTSFU-UHFFFAOYSA-N 1 2 328.441 3.541 50 0 EHAALO c1cn(CCc2c[nH]c[nH+]2)c(-c2ccc([C@@H]3CCCCO3)s2)n1 ZINC000067515031 215157875 /nfs/dbraw/zinc/15/78/75/215157875.db2.gz PRKKSDJQQPCCSP-AWEZNQCLSA-N 1 2 328.441 3.819 50 0 EHAALO Cc1cccc2[nH+]c(CNC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)cn21 ZINC000068570201 215320138 /nfs/dbraw/zinc/32/01/38/215320138.db2.gz ZTLITOMJLRBWAS-STQMWFEESA-N 1 2 339.361 3.628 50 0 EHAALO C[N@@H+]1CCc2nn(-c3ccccc3)c(NC(=O)Nc3ccccc3)c2C1 ZINC000070503736 215699362 /nfs/dbraw/zinc/69/93/62/215699362.db2.gz CYNXWYBNJNMYAX-UHFFFAOYSA-N 1 2 347.422 3.504 50 0 EHAALO C[N@H+]1CCc2nn(-c3ccccc3)c(NC(=O)Nc3ccccc3)c2C1 ZINC000070503736 215699364 /nfs/dbraw/zinc/69/93/64/215699364.db2.gz CYNXWYBNJNMYAX-UHFFFAOYSA-N 1 2 347.422 3.504 50 0 EHAALO Cc1nc2ccccc2nc1C[N@H+](C)Cc1cc(-c2ccncc2)no1 ZINC000072130751 216020768 /nfs/dbraw/zinc/02/07/68/216020768.db2.gz APIPBQQABXGWOR-UHFFFAOYSA-N 1 2 345.406 3.620 50 0 EHAALO Cc1nc2ccccc2nc1C[N@@H+](C)Cc1cc(-c2ccncc2)no1 ZINC000072130751 216020772 /nfs/dbraw/zinc/02/07/72/216020772.db2.gz APIPBQQABXGWOR-UHFFFAOYSA-N 1 2 345.406 3.620 50 0 EHAALO Cc1cnn(CCC[N@@H+]2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000072150991 216039911 /nfs/dbraw/zinc/03/99/11/216039911.db2.gz HXUWWOFUZYGIHO-GOSISDBHSA-N 1 2 341.434 3.824 50 0 EHAALO Cc1cnn(CCC[N@H+]2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000072150991 216039914 /nfs/dbraw/zinc/03/99/14/216039914.db2.gz HXUWWOFUZYGIHO-GOSISDBHSA-N 1 2 341.434 3.824 50 0 EHAALO CC(=O)c1cccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000072165607 216054421 /nfs/dbraw/zinc/05/44/21/216054421.db2.gz KTLGMDVTWMONEB-UHFFFAOYSA-N 1 2 340.442 3.736 50 0 EHAALO CC(=O)c1cccc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000072165607 216054423 /nfs/dbraw/zinc/05/44/23/216054423.db2.gz KTLGMDVTWMONEB-UHFFFAOYSA-N 1 2 340.442 3.736 50 0 EHAALO COc1cccc(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)c1 ZINC000072281461 216110156 /nfs/dbraw/zinc/11/01/56/216110156.db2.gz DFDHMJWSZFUQKS-UHFFFAOYSA-N 1 2 334.375 3.813 50 0 EHAALO CCc1cc(C)cc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000000242896 209500601 /nfs/dbraw/zinc/50/06/01/209500601.db2.gz APANHJUKHGWSMG-GOSISDBHSA-N 1 2 338.451 3.964 50 0 EHAALO O=C(Nc1ccc(Br)cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000072314268 216148802 /nfs/dbraw/zinc/14/88/02/216148802.db2.gz IEKKCDASBOJAGE-ZDUSSCGKSA-N 1 2 349.232 3.931 50 0 EHAALO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000072366076 216171532 /nfs/dbraw/zinc/17/15/32/216171532.db2.gz OFLVGTQESIIGGB-ZDUSSCGKSA-N 1 2 330.350 3.587 50 0 EHAALO CC(C)(C)OC(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000000066544 209397563 /nfs/dbraw/zinc/39/75/63/209397563.db2.gz QMVWXIFTAYKBEM-UHFFFAOYSA-N 1 2 342.842 3.968 50 0 EHAALO C[C@H](c1cccc(-c2[nH+]ccn2Cc2cccc(C(=O)[O-])c2)c1)[NH+](C)C ZINC000072454390 216240732 /nfs/dbraw/zinc/24/07/32/216240732.db2.gz FWWFITMSIFAOMA-OAHLLOKOSA-N 1 2 349.434 3.919 50 0 EHAALO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2Cc2ccc3c[nH]nc3c2)o1 ZINC000129926765 223104853 /nfs/dbraw/zinc/10/48/53/223104853.db2.gz VTESGMKWDUJDBQ-LJQANCHMSA-N 1 2 345.406 3.554 50 0 EHAALO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2Cc2ccc3c[nH]nc3c2)o1 ZINC000129926765 223104855 /nfs/dbraw/zinc/10/48/55/223104855.db2.gz VTESGMKWDUJDBQ-LJQANCHMSA-N 1 2 345.406 3.554 50 0 EHAALO C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023563382 212382944 /nfs/dbraw/zinc/38/29/44/212382944.db2.gz AOYARPBXZBSTNA-GFCCVEGCSA-N 1 2 341.798 3.722 50 0 EHAALO Cc1nc(/C=C/C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000022194835 212281911 /nfs/dbraw/zinc/28/19/11/212281911.db2.gz HGFFOERBNACSEF-OQHXTRMZSA-N 1 2 338.436 3.528 50 0 EHAALO OCc1[nH]nc2c1C[N@H+](Cc1ccc(C3CCCCC3)s1)CC2 ZINC000216068761 241164044 /nfs/dbraw/zinc/16/40/44/241164044.db2.gz BKFKBTITIBKBBJ-UHFFFAOYSA-N 1 2 331.485 3.570 50 0 EHAALO OCc1[nH]nc2c1C[N@@H+](Cc1ccc(C3CCCCC3)s1)CC2 ZINC000216068761 241164048 /nfs/dbraw/zinc/16/40/48/241164048.db2.gz BKFKBTITIBKBBJ-UHFFFAOYSA-N 1 2 331.485 3.570 50 0 EHAALO Cc1cc(C)cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000021870225 212257495 /nfs/dbraw/zinc/25/74/95/212257495.db2.gz MIOZUPULUVKDLJ-RMKNXTFCSA-N 1 2 334.463 3.775 50 0 EHAALO COc1cc(C)cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000242339337 243020140 /nfs/dbraw/zinc/02/01/40/243020140.db2.gz ZGYWBRJJWACZIB-YOEHRIQHSA-N 1 2 342.443 3.624 50 0 EHAALO COc1cccc(C[C@@H]2C[N@H+](C/C(C)=C/c3ccco3)CCO2)c1 ZINC000020539901 212145568 /nfs/dbraw/zinc/14/55/68/212145568.db2.gz LIAADPIJDLLGKQ-MBNYPGIVSA-N 1 2 327.424 3.635 50 0 EHAALO COc1cccc(C[C@@H]2C[N@@H+](C/C(C)=C/c3ccco3)CCO2)c1 ZINC000020539901 212145571 /nfs/dbraw/zinc/14/55/71/212145571.db2.gz LIAADPIJDLLGKQ-MBNYPGIVSA-N 1 2 327.424 3.635 50 0 EHAALO Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)o1 ZINC000013322749 211545102 /nfs/dbraw/zinc/54/51/02/211545102.db2.gz YWGOEWUSZDISJS-UHFFFAOYSA-N 1 2 333.819 3.591 50 0 EHAALO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1F ZINC000013320514 211544401 /nfs/dbraw/zinc/54/44/01/211544401.db2.gz RSSLZSHPLRQKNQ-UHFFFAOYSA-N 1 2 345.393 3.623 50 0 EHAALO CN(Cc1[nH+]ccn1C)C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000089761419 217839254 /nfs/dbraw/zinc/83/92/54/217839254.db2.gz JYDONKJEPLSMEN-UHFFFAOYSA-N 1 2 333.391 3.521 50 0 EHAALO Cc1sc2nc(C[N@H+](C)Cc3ccc(C)cc3)nc(N)c2c1C ZINC000012522808 211397829 /nfs/dbraw/zinc/39/78/29/211397829.db2.gz CZSCKGDQJCQDRC-UHFFFAOYSA-N 1 2 326.469 3.831 50 0 EHAALO Cc1sc2nc(C[N@@H+](C)Cc3ccc(C)cc3)nc(N)c2c1C ZINC000012522808 211397832 /nfs/dbraw/zinc/39/78/32/211397832.db2.gz CZSCKGDQJCQDRC-UHFFFAOYSA-N 1 2 326.469 3.831 50 0 EHAALO CCN(CC)C(=O)c1ccc(OCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000012519957 211396052 /nfs/dbraw/zinc/39/60/52/211396052.db2.gz VXHWAALHOCFWSQ-UHFFFAOYSA-N 1 2 337.423 3.704 50 0 EHAALO Cc1ccccc1C1=N/C(=C\c2ccc(-n3cc[nH+]c3)cc2)C(=O)O1 ZINC000012507205 211394378 /nfs/dbraw/zinc/39/43/78/211394378.db2.gz QSLUXXOAKCMCER-PDGQHHTCSA-N 1 2 329.359 3.525 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000091621210 218033301 /nfs/dbraw/zinc/03/33/01/218033301.db2.gz AYVSOPOILKVCPP-MRXNPFEDSA-N 1 2 325.456 3.587 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000091713454 218053263 /nfs/dbraw/zinc/05/32/63/218053263.db2.gz LHHGOYPNXKIAEZ-LBPRGKRZSA-N 1 2 335.810 3.715 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2C)C1 ZINC000091848792 218077142 /nfs/dbraw/zinc/07/71/42/218077142.db2.gz YKDXKIADNHNHLK-CQSZACIVSA-N 1 2 331.847 3.885 50 0 EHAALO CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)N1CC(c2cccnc2)C1 ZINC000091942950 218092664 /nfs/dbraw/zinc/09/26/64/218092664.db2.gz BHDAZAUFLSVLSI-SFHVURJKSA-N 1 2 348.450 3.571 50 0 EHAALO O=C(C1CCCCCC1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000092080816 218116850 /nfs/dbraw/zinc/11/68/50/218116850.db2.gz RYBOMPNSZYTXFR-MAUKXSAKSA-N 1 2 347.528 3.536 50 0 EHAALO O=C(C1CCCCCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000092080816 218116852 /nfs/dbraw/zinc/11/68/52/218116852.db2.gz RYBOMPNSZYTXFR-MAUKXSAKSA-N 1 2 347.528 3.536 50 0 EHAALO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2F)c1 ZINC000010225894 211156303 /nfs/dbraw/zinc/15/63/03/211156303.db2.gz ARHNMGHMZGQFNW-GOSISDBHSA-N 1 2 346.377 3.749 50 0 EHAALO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2F)c1 ZINC000010225894 211156307 /nfs/dbraw/zinc/15/63/07/211156307.db2.gz ARHNMGHMZGQFNW-GOSISDBHSA-N 1 2 346.377 3.749 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccccc1F)c1cccc(F)c1 ZINC000009338041 211070731 /nfs/dbraw/zinc/07/07/31/211070731.db2.gz VJOQNHYXRJHMRU-INIZCTEOSA-N 1 2 342.349 3.609 50 0 EHAALO O=C(Cn1c2ccccc2[nH+]c1C1CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000004865039 210304955 /nfs/dbraw/zinc/30/49/55/210304955.db2.gz MYWFUSVMIBXJEI-UHFFFAOYSA-N 1 2 349.478 3.999 50 0 EHAALO Cc1ccc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1Cl ZINC000112670487 220369448 /nfs/dbraw/zinc/36/94/48/220369448.db2.gz VEAYUNYQLJMWNV-UHFFFAOYSA-N 1 2 331.847 3.704 50 0 EHAALO C[N@H+](Cc1cscn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000328588653 258045502 /nfs/dbraw/zinc/04/55/02/258045502.db2.gz UGBSYIOLGRSPNK-ZDUSSCGKSA-N 1 2 339.258 3.861 50 0 EHAALO C[N@@H+](Cc1cscn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000328588653 258045503 /nfs/dbraw/zinc/04/55/03/258045503.db2.gz UGBSYIOLGRSPNK-ZDUSSCGKSA-N 1 2 339.258 3.861 50 0 EHAALO Cc1ccc(SCCC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1C ZINC000328586927 258046396 /nfs/dbraw/zinc/04/63/96/258046396.db2.gz UQRDCHYBROYUDD-MRXNPFEDSA-N 1 2 329.469 3.872 50 0 EHAALO Cc1nc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)cc[nH+]1 ZINC000291634786 258012197 /nfs/dbraw/zinc/01/21/97/258012197.db2.gz ASBIKGMNHLFGPJ-XHDPSFHLSA-N 1 2 337.345 3.770 50 0 EHAALO Cc1nc(C)n(Cc2cccc(NCc3cn4cc(C)ccc4[nH+]3)c2)n1 ZINC000095414902 258066974 /nfs/dbraw/zinc/06/69/74/258066974.db2.gz JCVODDKJNBJBHU-UHFFFAOYSA-N 1 2 346.438 3.511 50 0 EHAALO Fc1ccc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000055543174 132195720 /nfs/dbraw/zinc/19/57/20/132195720.db2.gz CRPCHIYTSAEUHA-UHFFFAOYSA-N 1 2 349.247 3.910 50 0 EHAALO O=C(NCCCn1cc[nH+]c1)N[C@H](c1cccs1)C1CCCC1 ZINC000040119866 526289337 /nfs/dbraw/zinc/28/93/37/526289337.db2.gz NQYAQVWWFGAKCX-INIZCTEOSA-N 1 2 332.473 3.565 50 0 EHAALO CCCNc1ncc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cn1 ZINC000216336116 535206690 /nfs/dbraw/zinc/20/66/90/535206690.db2.gz ULHJDKMNQCNOMN-INIZCTEOSA-N 1 2 329.448 3.747 50 0 EHAALO CCCNc1ncc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cn1 ZINC000216336116 535206696 /nfs/dbraw/zinc/20/66/96/535206696.db2.gz ULHJDKMNQCNOMN-INIZCTEOSA-N 1 2 329.448 3.747 50 0 EHAALO COc1ccc(OC[C@@H]2C[NH+]=C(Nc3ccc(C)cc3)S2)cc1 ZINC000000152698 563246657 /nfs/dbraw/zinc/24/66/57/563246657.db2.gz INIZUOYVQYPTSN-KRWDZBQOSA-N 1 2 328.437 3.966 50 0 EHAALO Clc1ccc(Cn2ncc3c2nc[nH+]c3N2CCCCCC2)cc1 ZINC000006759296 563585625 /nfs/dbraw/zinc/58/56/25/563585625.db2.gz MUTUGZFNWKIGOQ-UHFFFAOYSA-N 1 2 341.846 3.908 50 0 EHAALO CCCCNc1[nH+]c2ccccc2n1CC(=O)NCc1ccccc1 ZINC000012634100 563666416 /nfs/dbraw/zinc/66/64/16/563666416.db2.gz XXGSABKXXPVCRX-UHFFFAOYSA-N 1 2 336.439 3.565 50 0 EHAALO Cc1cc(Cl)ccc1NC(=S)N1CC[NH+](Cc2ccco2)CC1 ZINC000017072644 563836459 /nfs/dbraw/zinc/83/64/59/563836459.db2.gz GEPYHNTZILRPFY-UHFFFAOYSA-N 1 2 349.887 3.756 50 0 EHAALO C[N@@H+]1CCc2nc(NC(=O)c3occc3-c3ccccc3)sc2C1 ZINC000027989761 563900597 /nfs/dbraw/zinc/90/05/97/563900597.db2.gz SRKFIMNMHDRANS-UHFFFAOYSA-N 1 2 339.420 3.643 50 0 EHAALO C[N@H+]1CCc2nc(NC(=O)c3occc3-c3ccccc3)sc2C1 ZINC000027989761 563900601 /nfs/dbraw/zinc/90/06/01/563900601.db2.gz SRKFIMNMHDRANS-UHFFFAOYSA-N 1 2 339.420 3.643 50 0 EHAALO C[N@H+](Cc1coc(-c2cccs2)n1)Cc1ccc2c(c1)OCO2 ZINC000028730483 563903944 /nfs/dbraw/zinc/90/39/44/563903944.db2.gz DIOYCAWPSPEZIY-UHFFFAOYSA-N 1 2 328.393 3.764 50 0 EHAALO C[N@@H+](Cc1coc(-c2cccs2)n1)Cc1ccc2c(c1)OCO2 ZINC000028730483 563903945 /nfs/dbraw/zinc/90/39/45/563903945.db2.gz DIOYCAWPSPEZIY-UHFFFAOYSA-N 1 2 328.393 3.764 50 0 EHAALO COC(=O)[C@@H]1C[C@H](Oc2ccc(C(C)(C)C)cc2C(C)(C)C)C[NH2+]1 ZINC000042783087 563925038 /nfs/dbraw/zinc/92/50/38/563925038.db2.gz JMUXZXOCGIMTQR-HOCLYGCPSA-N 1 2 333.472 3.564 50 0 EHAALO CCOc1ccccc1C[NH+]1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000055031366 563933365 /nfs/dbraw/zinc/93/33/65/563933365.db2.gz NUHDVPJADDFRFB-UHFFFAOYSA-N 1 2 338.451 3.610 50 0 EHAALO Cc1oc(-c2ccco2)nc1C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000055054210 563933536 /nfs/dbraw/zinc/93/35/36/563933536.db2.gz KGUXJXPTRIPPAM-CQSZACIVSA-N 1 2 340.379 3.515 50 0 EHAALO Cc1oc(-c2ccco2)nc1C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000055054210 563933538 /nfs/dbraw/zinc/93/35/38/563933538.db2.gz KGUXJXPTRIPPAM-CQSZACIVSA-N 1 2 340.379 3.515 50 0 EHAALO CC(=O)Nc1ccc(F)c(NCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000096450113 563953683 /nfs/dbraw/zinc/95/36/83/563953683.db2.gz VUHIPGHIEKNHPO-UHFFFAOYSA-N 1 2 338.386 3.641 50 0 EHAALO Cc1ncc([C@H](C)[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)s1 ZINC000096485585 563955487 /nfs/dbraw/zinc/95/54/87/563955487.db2.gz QQQSWVGUSLEKAY-KBXCAEBGSA-N 1 2 343.496 3.856 50 0 EHAALO Cc1[nH+]cnc(N2CCC[C@@](CO)(CCCc3ccccc3)C2)c1C ZINC000067772937 563962739 /nfs/dbraw/zinc/96/27/39/563962739.db2.gz YJXURGMBTMQCAT-NRFANRHFSA-N 1 2 339.483 3.695 50 0 EHAALO Cn1ncc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1C1CC1 ZINC000071416083 563964354 /nfs/dbraw/zinc/96/43/54/563964354.db2.gz CFYABHDOKTWYEH-KRWDZBQOSA-N 1 2 331.847 3.524 50 0 EHAALO Cn1ncc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1C1CC1 ZINC000071416083 563964355 /nfs/dbraw/zinc/96/43/55/563964355.db2.gz CFYABHDOKTWYEH-KRWDZBQOSA-N 1 2 331.847 3.524 50 0 EHAALO Cc1nnc(C[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000175932424 563971034 /nfs/dbraw/zinc/97/10/34/563971034.db2.gz QQYSLHNUCWXXGG-LBPRGKRZSA-N 1 2 342.226 3.728 50 0 EHAALO Cc1nnc(C[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 ZINC000175932424 563971035 /nfs/dbraw/zinc/97/10/35/563971035.db2.gz QQYSLHNUCWXXGG-LBPRGKRZSA-N 1 2 342.226 3.728 50 0 EHAALO CSCc1ccc(N2CCC([C@@H](O)Cc3ccccc3)CC2)[nH+]c1 ZINC000082157340 563972800 /nfs/dbraw/zinc/97/28/00/563972800.db2.gz OUXGEPCBVSCIBC-IBGZPJMESA-N 1 2 342.508 3.765 50 0 EHAALO Cc1c(CNC(=O)[C@H](c2cccnc2)[NH+]2CCCC2)oc2ccccc12 ZINC000095498147 563977066 /nfs/dbraw/zinc/97/70/66/563977066.db2.gz ZUKMNJWSOYGNHF-FQEVSTJZSA-N 1 2 349.434 3.590 50 0 EHAALO CCc1[nH+]c2cc(CNc3cn[nH]c(=O)c3Cl)ccc2n1C1CC1 ZINC000338487277 563987022 /nfs/dbraw/zinc/98/70/22/563987022.db2.gz LEAYFPCHRKLKFF-UHFFFAOYSA-N 1 2 343.818 3.695 50 0 EHAALO O=C(CCCn1cc[nH+]c1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000135606052 563997502 /nfs/dbraw/zinc/99/75/02/563997502.db2.gz MXJOCPYUWSVRHM-UHFFFAOYSA-N 1 2 338.238 3.555 50 0 EHAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCOc2cccc(C)c2)o1 ZINC000065521890 563998308 /nfs/dbraw/zinc/99/83/08/563998308.db2.gz WIXZEAUKJGYQCE-FQEVSTJZSA-N 1 2 349.434 3.865 50 0 EHAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCOc2cccc(C)c2)o1 ZINC000065521890 563998309 /nfs/dbraw/zinc/99/83/09/563998309.db2.gz WIXZEAUKJGYQCE-FQEVSTJZSA-N 1 2 349.434 3.865 50 0 EHAALO CCOCCCNc1[nH+]cnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000017306896 564011563 /nfs/dbraw/zinc/01/15/63/564011563.db2.gz MOOWQPHPCUGTFN-UHFFFAOYSA-N 1 2 345.834 3.616 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000018235856 564018922 /nfs/dbraw/zinc/01/89/22/564018922.db2.gz LVOVGOAPBULDLQ-INIZCTEOSA-N 1 2 343.789 3.732 50 0 EHAALO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[C@H]2c2ccsc2)no1 ZINC000106826905 564026648 /nfs/dbraw/zinc/02/66/48/564026648.db2.gz YCLOZOSKXOUBFE-DLBZAZTESA-N 1 2 345.468 3.545 50 0 EHAALO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N2CCC[C@H]2c2ccsc2)no1 ZINC000106826905 564026649 /nfs/dbraw/zinc/02/66/49/564026649.db2.gz YCLOZOSKXOUBFE-DLBZAZTESA-N 1 2 345.468 3.545 50 0 EHAALO Cc1c(Cl)cccc1NC(=O)c1nc(-n2cc[nH+]c2)ncc1Cl ZINC000046086700 564029580 /nfs/dbraw/zinc/02/95/80/564029580.db2.gz HLHJHZIKXKNKLN-UHFFFAOYSA-N 1 2 348.193 3.530 50 0 EHAALO OC[C@H]([NH2+]Cc1ccc(Br)o1)c1ccc(Cl)c(F)c1 ZINC000241587950 564052025 /nfs/dbraw/zinc/05/20/25/564052025.db2.gz OYJLJOPDHVGZJA-LBPRGKRZSA-N 1 2 348.599 3.658 50 0 EHAALO CC(=O)c1cc(C[NH+]2CCC([C@@H](O)c3cccs3)CC2)cs1 ZINC000244734391 564052290 /nfs/dbraw/zinc/05/22/90/564052290.db2.gz NEQQFTSJGCYTKD-QGZVFWFLSA-N 1 2 335.494 3.958 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000012550221 564059077 /nfs/dbraw/zinc/05/90/77/564059077.db2.gz OQANQLGYGNGSDK-INIZCTEOSA-N 1 2 343.789 3.732 50 0 EHAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000012602552 564060489 /nfs/dbraw/zinc/06/04/89/564060489.db2.gz ZSNSOJLLOMMCIE-INIZCTEOSA-N 1 2 344.842 3.830 50 0 EHAALO CSCC[C@H](C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1)n1cccc1 ZINC000263587638 564061863 /nfs/dbraw/zinc/06/18/63/564061863.db2.gz JLMIOLUVFRCHHR-MRXNPFEDSA-N 1 2 328.441 3.606 50 0 EHAALO Cc1cc(C[S@](=O)Cc2cn3ccccc3[nH+]2)c2ccccc2n1 ZINC000083953320 564065197 /nfs/dbraw/zinc/06/51/97/564065197.db2.gz LLWOYGSQESFXCH-XMMPIXPASA-N 1 2 335.432 3.640 50 0 EHAALO Cc1ccc2[nH+]c(CNC(=O)N3CCC[C@@H]3CC(C)(C)C)cn2c1 ZINC000084210085 564067463 /nfs/dbraw/zinc/06/74/63/564067463.db2.gz ZRTGEUOIUUZHSM-MRXNPFEDSA-N 1 2 328.460 3.753 50 0 EHAALO Cc1ccc2[nH+]c(COC(=O)/C=C/c3ccc4ccccc4n3)cn2c1 ZINC000016250489 564081137 /nfs/dbraw/zinc/08/11/37/564081137.db2.gz YGABEJNKEIKFGX-PKNBQFBNSA-N 1 2 343.386 3.948 50 0 EHAALO Cc1[nH+]c2ccccc2n1CC(=O)N(Cc1ccco1)c1ccccn1 ZINC000192466056 564090163 /nfs/dbraw/zinc/09/01/63/564090163.db2.gz JXSLZZVAQROKKR-UHFFFAOYSA-N 1 2 346.390 3.566 50 0 EHAALO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccccc2Cl)C1 ZINC000151528163 564111602 /nfs/dbraw/zinc/11/16/02/564111602.db2.gz BULXOTRYQPJDCM-ZDUSSCGKSA-N 1 2 332.835 3.560 50 0 EHAALO C[C@@H](Nc1cccc(C[N@H+](C)Cc2cscn2)c1)[C@H]1CCOC1 ZINC000195099799 564122772 /nfs/dbraw/zinc/12/27/72/564122772.db2.gz SNMXFPKBTHFJIE-ZBFHGGJFSA-N 1 2 331.485 3.612 50 0 EHAALO C[C@@H](Nc1cccc(C[N@@H+](C)Cc2cscn2)c1)[C@H]1CCOC1 ZINC000195099799 564122773 /nfs/dbraw/zinc/12/27/73/564122773.db2.gz SNMXFPKBTHFJIE-ZBFHGGJFSA-N 1 2 331.485 3.612 50 0 EHAALO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCCCCC1 ZINC000007779697 564123123 /nfs/dbraw/zinc/12/31/23/564123123.db2.gz LKIUHSDLVJGXOE-MRXNPFEDSA-N 1 2 343.496 3.836 50 0 EHAALO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCCCCC1 ZINC000007779697 564123124 /nfs/dbraw/zinc/12/31/24/564123124.db2.gz LKIUHSDLVJGXOE-MRXNPFEDSA-N 1 2 343.496 3.836 50 0 EHAALO Cc1cc(C)c(C(=O)Nc2ccc3c(c2)[nH+]c(C(C)C)n3C)c(=O)[nH]1 ZINC000252510447 564133765 /nfs/dbraw/zinc/13/37/65/564133765.db2.gz ZLCOTJLSGSIAEH-UHFFFAOYSA-N 1 2 338.411 3.666 50 0 EHAALO Cc1ccc2c(CC(=O)NCc3cn4ccccc4[nH+]3)coc2c1C ZINC000007943833 564135366 /nfs/dbraw/zinc/13/53/66/564135366.db2.gz IQCOQHZJOVXCNP-UHFFFAOYSA-N 1 2 333.391 3.556 50 0 EHAALO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc(=O)c3ccsc3[nH]2)c1 ZINC000079105569 564137892 /nfs/dbraw/zinc/13/78/92/564137892.db2.gz GROMZKUIRJQWNL-OAHLLOKOSA-N 1 2 325.437 3.630 50 0 EHAALO Cc1cccc([C@H]2CCC[N@H+]2Cc2nc(=O)c3ccsc3[nH]2)c1 ZINC000079105569 564137893 /nfs/dbraw/zinc/13/78/93/564137893.db2.gz GROMZKUIRJQWNL-OAHLLOKOSA-N 1 2 325.437 3.630 50 0 EHAALO COc1ccc2cc(C(=O)Nc3cccc(-c4[nH+]ccn4C)c3)[nH]c2c1 ZINC000079592292 564138273 /nfs/dbraw/zinc/13/82/73/564138273.db2.gz WQVVPROLEGGPNN-UHFFFAOYSA-N 1 2 346.390 3.829 50 0 EHAALO CC(C)n1ccc2c1cccc2C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000095478178 564141477 /nfs/dbraw/zinc/14/14/77/564141477.db2.gz DMSHWXVPKYGQMJ-UHFFFAOYSA-N 1 2 348.450 3.580 50 0 EHAALO Cc1cc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c(C)o1 ZINC000096446433 564148238 /nfs/dbraw/zinc/14/82/38/564148238.db2.gz VJHKTHOQXQEIDA-OALUTQOASA-N 1 2 335.407 3.752 50 0 EHAALO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COCc1cccs1 ZINC000002630961 564151447 /nfs/dbraw/zinc/15/14/47/564151447.db2.gz JDEFWHOCXYAMLL-GFCCVEGCSA-N 1 2 343.851 3.550 50 0 EHAALO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)COCc1cccs1 ZINC000002630961 564151448 /nfs/dbraw/zinc/15/14/48/564151448.db2.gz JDEFWHOCXYAMLL-GFCCVEGCSA-N 1 2 343.851 3.550 50 0 EHAALO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000355013964 564159241 /nfs/dbraw/zinc/15/92/41/564159241.db2.gz JLWJAZXXKPBDFQ-SNVBAGLBSA-N 1 2 338.238 3.795 50 0 EHAALO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000355013964 564159242 /nfs/dbraw/zinc/15/92/42/564159242.db2.gz JLWJAZXXKPBDFQ-SNVBAGLBSA-N 1 2 338.238 3.795 50 0 EHAALO CCSc1cccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000172215178 564167444 /nfs/dbraw/zinc/16/74/44/564167444.db2.gz KQVSKROOEYGFSC-UHFFFAOYSA-N 1 2 342.468 3.548 50 0 EHAALO CCN(CC)c1ccc(CNC(=O)[C@H]2CCCc3ccccc32)c[nH+]1 ZINC000040121324 564168251 /nfs/dbraw/zinc/16/82/51/564168251.db2.gz RZEXQJGSIMSDQC-IBGZPJMESA-N 1 2 337.467 3.664 50 0 EHAALO C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccccn1 ZINC000069519466 564170090 /nfs/dbraw/zinc/17/00/90/564170090.db2.gz SRGKIXYTVRUONX-LBPRGKRZSA-N 1 2 339.420 3.785 50 0 EHAALO O=C(c1cnc(-c2cccs2)s1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069808963 564172240 /nfs/dbraw/zinc/17/22/40/564172240.db2.gz XPPGRGPDZWZMLR-GFCCVEGCSA-N 1 2 344.465 3.545 50 0 EHAALO C[N@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1ccco1 ZINC000009339420 564172783 /nfs/dbraw/zinc/17/27/83/564172783.db2.gz RPYZQDJWVZMTDR-UHFFFAOYSA-N 1 2 341.455 3.731 50 0 EHAALO C[N@@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1ccco1 ZINC000009339420 564172784 /nfs/dbraw/zinc/17/27/84/564172784.db2.gz RPYZQDJWVZMTDR-UHFFFAOYSA-N 1 2 341.455 3.731 50 0 EHAALO Cc1cc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000070038087 564173485 /nfs/dbraw/zinc/17/34/85/564173485.db2.gz WRKBAPXHMQVCAY-APWZRJJASA-N 1 2 346.434 3.813 50 0 EHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nc2ccccc2s1 ZINC000041624484 564174145 /nfs/dbraw/zinc/17/41/45/564174145.db2.gz HUMCFTWFFZEXMI-SNPRPXQTSA-N 1 2 330.453 3.602 50 0 EHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nc2ccccc2s1 ZINC000041624484 564174146 /nfs/dbraw/zinc/17/41/46/564174146.db2.gz HUMCFTWFFZEXMI-SNPRPXQTSA-N 1 2 330.453 3.602 50 0 EHAALO O=C(CCc1ccc(F)c(F)c1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000082126864 1030437937 /nfs/dbraw/zinc/43/79/37/1030437937.db2.gz GOPPFEGUPVVZPG-MRXNPFEDSA-N 1 2 347.409 3.565 50 0 EHAALO CC(C)c1nc(C2([NH2+]C[C@@H](O)c3ccc(Cl)cc3)CCCC2)no1 ZINC000174242462 1033849520 /nfs/dbraw/zinc/84/95/20/1033849520.db2.gz QGNJCNLNOCGZMQ-OAHLLOKOSA-N 1 2 349.862 3.939 50 0 EHAALO O=C(Nc1ccccc1)c1nnc(C[N@@H+]2CCC[C@H]2C2CCC2)s1 ZINC000182433428 1038598806 /nfs/dbraw/zinc/59/88/06/1038598806.db2.gz CTMFCJOVQQNTDL-HNNXBMFYSA-N 1 2 342.468 3.555 50 0 EHAALO O=C(Nc1ccccc1)c1nnc(C[N@H+]2CCC[C@H]2C2CCC2)s1 ZINC000182433428 1038598811 /nfs/dbraw/zinc/59/88/11/1038598811.db2.gz CTMFCJOVQQNTDL-HNNXBMFYSA-N 1 2 342.468 3.555 50 0 EHAALO CCn1nc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c2c1CCOC2 ZINC000675010696 1039829348 /nfs/dbraw/zinc/82/93/48/1039829348.db2.gz ITJPFEYAAXBYBT-SFHVURJKSA-N 1 2 345.874 3.966 50 0 EHAALO CCn1nc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c2c1CCOC2 ZINC000675010696 1039829383 /nfs/dbraw/zinc/82/93/83/1039829383.db2.gz ITJPFEYAAXBYBT-SFHVURJKSA-N 1 2 345.874 3.966 50 0 EHAALO COCc1ccc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)o1 ZINC000679582608 1127471769 /nfs/dbraw/zinc/47/17/69/1127471769.db2.gz HVCRXQWXTPUCPE-GOSISDBHSA-N 1 2 329.444 3.905 50 0 EHAALO CC(C)Cn1c[nH+]cc1CNC(=O)c1ccc(Oc2ccccc2)o1 ZINC000821502165 1130938199 /nfs/dbraw/zinc/93/81/99/1130938199.db2.gz PLPLLLIPCPVTSC-UHFFFAOYSA-N 1 2 339.395 3.854 50 0 EHAALO COc1ccc(C(=O)N2CC(n3c(C)c[nH+]c3-c3ccccc3)C2)cc1 ZINC000581808188 1132371225 /nfs/dbraw/zinc/37/12/25/1132371225.db2.gz XHDGUQFZFWVZGR-UHFFFAOYSA-N 1 2 347.418 3.564 50 0 EHAALO Cc1ccc(C)c(C[NH2+]C2(c3nc(C(C)C)no3)CCOCC2)c1 ZINC000585114001 1137002033 /nfs/dbraw/zinc/00/20/33/1137002033.db2.gz QRTCZZWEBQJUTR-UHFFFAOYSA-N 1 2 329.444 3.605 50 0 EHAALO O=C(C[N@@H+]1CCc2sccc2C1)N1CCC[C@@H]1c1ccsc1 ZINC000052432756 214128508 /nfs/dbraw/zinc/12/85/08/214128508.db2.gz TYBVZVQNRJJPGQ-OAHLLOKOSA-N 1 2 332.494 3.531 50 0 EHAALO O=C(C[N@H+]1CCc2sccc2C1)N1CCC[C@@H]1c1ccsc1 ZINC000052432756 214128511 /nfs/dbraw/zinc/12/85/11/214128511.db2.gz TYBVZVQNRJJPGQ-OAHLLOKOSA-N 1 2 332.494 3.531 50 0 EHAALO O=C(Nc1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055516554 214327236 /nfs/dbraw/zinc/32/72/36/214327236.db2.gz VKJMTDRGVCGQAB-QPJJXVBHSA-N 1 2 339.414 3.689 50 0 EHAALO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@@H](C)C(=O)[C@H]2C)cc1 ZINC000004647863 210237521 /nfs/dbraw/zinc/23/75/21/210237521.db2.gz RVYZVGKIODSCSZ-GOFCXKROSA-N 1 2 339.435 3.931 50 0 EHAALO Cc1cc(OCCn2c[nH+]c3cc4c(cc32)OCCO4)ccc1Cl ZINC000064794844 214805209 /nfs/dbraw/zinc/80/52/09/214805209.db2.gz SXGQAKMHKHGIRA-UHFFFAOYSA-N 1 2 344.798 3.848 50 0 EHAALO COc1ccc(C(C)=O)cc1C[C@H](C(=O)c1ccc(C)cc1)[NH+](C)C ZINC000003441339 210040637 /nfs/dbraw/zinc/04/06/37/210040637.db2.gz MEHYYBDOVRDHFC-LJQANCHMSA-N 1 2 339.435 3.562 50 0 EHAALO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1F ZINC000003413888 210033361 /nfs/dbraw/zinc/03/33/61/210033361.db2.gz ULFXIZSNWSCHDK-UHFFFAOYSA-N 1 2 336.794 3.558 50 0 EHAALO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1F ZINC000003413888 210033365 /nfs/dbraw/zinc/03/33/65/210033365.db2.gz ULFXIZSNWSCHDK-UHFFFAOYSA-N 1 2 336.794 3.558 50 0 EHAALO Cc1ccc2nc(C[NH2+][C@@H](C)c3cn4ccsc4n3)[nH]c2c1C ZINC000067803595 215215065 /nfs/dbraw/zinc/21/50/65/215215065.db2.gz XWQAAYIEOQXYLC-LBPRGKRZSA-N 1 2 325.441 3.740 50 0 EHAALO COc1ccc2c(C)c(C(=O)Nc3c[nH+]c4n3CCCC4)oc2c1 ZINC000067982877 215267508 /nfs/dbraw/zinc/26/75/08/215267508.db2.gz JGDDZBUHGJYZGZ-UHFFFAOYSA-N 1 2 325.368 3.535 50 0 EHAALO COc1cc(C[N@H+](C)[C@@H](C)c2nc(C3CC3)no2)ccc1SC ZINC000069323432 215377821 /nfs/dbraw/zinc/37/78/21/215377821.db2.gz GDKJTXRKBTUARU-NSHDSACASA-N 1 2 333.457 3.871 50 0 EHAALO COc1cc(C[N@@H+](C)[C@@H](C)c2nc(C3CC3)no2)ccc1SC ZINC000069323432 215377826 /nfs/dbraw/zinc/37/78/26/215377826.db2.gz GDKJTXRKBTUARU-NSHDSACASA-N 1 2 333.457 3.871 50 0 EHAALO CC(C)c1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000040096995 213263587 /nfs/dbraw/zinc/26/35/87/213263587.db2.gz PVDDWFFMLKKPPF-UHFFFAOYSA-N 1 2 327.428 3.753 50 0 EHAALO O=C(Nc1cccc2c1CCCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000040098167 213263209 /nfs/dbraw/zinc/26/32/09/213263209.db2.gz YUIZXCXOWUWYJI-UHFFFAOYSA-N 1 2 339.439 3.508 50 0 EHAALO Cn1c2ccccc2[nH+]c1C1CCC(CNC(=O)c2ccncc2)CC1 ZINC000038671816 213220780 /nfs/dbraw/zinc/22/07/80/213220780.db2.gz FQAGTSJMGYAOMI-UHFFFAOYSA-N 1 2 348.450 3.672 50 0 EHAALO COc1c(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c(C)nn1C ZINC000069843703 215601927 /nfs/dbraw/zinc/60/19/27/215601927.db2.gz NWCJFXRNAGRZJM-LJQANCHMSA-N 1 2 339.414 3.755 50 0 EHAALO CS(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000072166528 216056430 /nfs/dbraw/zinc/05/64/30/216056430.db2.gz MZIZHIHMQRAMCT-IBGZPJMESA-N 1 2 347.455 3.956 50 0 EHAALO CS(=O)(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000072166528 216056433 /nfs/dbraw/zinc/05/64/33/216056433.db2.gz MZIZHIHMQRAMCT-IBGZPJMESA-N 1 2 347.455 3.956 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[N@@H+]1CCC[C@H](C)C1)S2 ZINC000023156761 212357206 /nfs/dbraw/zinc/35/72/06/212357206.db2.gz PHZLPHZRJXZEJO-WFASDCNBSA-N 1 2 342.468 3.626 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[N@H+]1CCC[C@H](C)C1)S2 ZINC000023156761 212357209 /nfs/dbraw/zinc/35/72/09/212357209.db2.gz PHZLPHZRJXZEJO-WFASDCNBSA-N 1 2 342.468 3.626 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000023156759 212357347 /nfs/dbraw/zinc/35/73/47/212357347.db2.gz PHZLPHZRJXZEJO-DOMZBBRYSA-N 1 2 342.468 3.626 50 0 EHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000023156759 212357351 /nfs/dbraw/zinc/35/73/51/212357351.db2.gz PHZLPHZRJXZEJO-DOMZBBRYSA-N 1 2 342.468 3.626 50 0 EHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(CC(C)C)no2)c(OC)c1 ZINC000022845766 212328308 /nfs/dbraw/zinc/32/83/08/212328308.db2.gz YCZZOSSELBOGOA-INIZCTEOSA-N 1 2 345.443 3.622 50 0 EHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(CC(C)C)no2)c(OC)c1 ZINC000022845766 212328311 /nfs/dbraw/zinc/32/83/11/212328311.db2.gz YCZZOSSELBOGOA-INIZCTEOSA-N 1 2 345.443 3.622 50 0 EHAALO COc1cc2c(cc1C[N@H+](C)Cc1cc(C(C)C)no1)OCCCO2 ZINC000216115033 241168803 /nfs/dbraw/zinc/16/88/03/241168803.db2.gz RYCQKZXGIMWXOM-UHFFFAOYSA-N 1 2 346.427 3.600 50 0 EHAALO COc1cc2c(cc1C[N@@H+](C)Cc1cc(C(C)C)no1)OCCCO2 ZINC000216115033 241168809 /nfs/dbraw/zinc/16/88/09/241168809.db2.gz RYCQKZXGIMWXOM-UHFFFAOYSA-N 1 2 346.427 3.600 50 0 EHAALO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2cnc(-c3ccccn3)nc2)no1 ZINC000216436841 241191480 /nfs/dbraw/zinc/19/14/80/241191480.db2.gz ABRQHOISZSALNT-SFHVURJKSA-N 1 2 335.411 3.562 50 0 EHAALO Cc1cc([C@@H]2CCCC[N@H+]2Cc2cnc(-c3ccccn3)nc2)no1 ZINC000216436841 241191486 /nfs/dbraw/zinc/19/14/86/241191486.db2.gz ABRQHOISZSALNT-SFHVURJKSA-N 1 2 335.411 3.562 50 0 EHAALO Cc1cc([C@H]2CCCC[N@@H+]2Cc2cnc(-c3ccccn3)nc2)no1 ZINC000216436878 241192103 /nfs/dbraw/zinc/19/21/03/241192103.db2.gz ABRQHOISZSALNT-GOSISDBHSA-N 1 2 335.411 3.562 50 0 EHAALO Cc1cc([C@H]2CCCC[N@H+]2Cc2cnc(-c3ccccn3)nc2)no1 ZINC000216436878 241192110 /nfs/dbraw/zinc/19/21/10/241192110.db2.gz ABRQHOISZSALNT-GOSISDBHSA-N 1 2 335.411 3.562 50 0 EHAALO CC(C)Oc1c(Cl)cc(C[N@H+](C)[C@H]2CCN(C)C2)cc1Cl ZINC000219315169 241380782 /nfs/dbraw/zinc/38/07/82/241380782.db2.gz JOONLDPZOSSDFE-ZDUSSCGKSA-N 1 2 331.287 3.917 50 0 EHAALO CC(C)Oc1c(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)C2)cc1Cl ZINC000219315169 241380789 /nfs/dbraw/zinc/38/07/89/241380789.db2.gz JOONLDPZOSSDFE-ZDUSSCGKSA-N 1 2 331.287 3.917 50 0 EHAALO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(Cc1ccccc1F)C1CC1 ZINC000253392649 243889789 /nfs/dbraw/zinc/88/97/89/243889789.db2.gz IEQWNXZBGUGNNG-UHFFFAOYSA-N 1 2 349.409 3.875 50 0 EHAALO O=C(Nc1cccc2ccccc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000020467111 212134786 /nfs/dbraw/zinc/13/47/86/212134786.db2.gz FTYOKCZYTPNHKW-UHFFFAOYSA-N 1 2 346.434 3.585 50 0 EHAALO CC(C)(c1ccccc1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000020059628 212099024 /nfs/dbraw/zinc/09/90/24/212099024.db2.gz JNDONVBYUGJASL-UHFFFAOYSA-N 1 2 325.452 3.724 50 0 EHAALO C[C@H](C(=O)c1c[nH]c2ccccc12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019371398 212023359 /nfs/dbraw/zinc/02/33/59/212023359.db2.gz ULLRWJRNZXMCCJ-QGZVFWFLSA-N 1 2 347.462 3.557 50 0 EHAALO Cc1nc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)sc1C ZINC000078971208 217160017 /nfs/dbraw/zinc/16/00/17/217160017.db2.gz XKSYJJSLSXOKMZ-RMKNXTFCSA-N 1 2 327.497 3.591 50 0 EHAALO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000079060832 217185568 /nfs/dbraw/zinc/18/55/68/217185568.db2.gz KRCNNDZPMSLYCL-UHFFFAOYSA-N 1 2 338.432 3.964 50 0 EHAALO CC(C)c1[nH+]c2cc(NC(=O)Cc3ccc4c(c3)OCC4)ccc2n1C ZINC000079483665 217231454 /nfs/dbraw/zinc/23/14/54/217231454.db2.gz WZMFJXCIUYUIOI-UHFFFAOYSA-N 1 2 349.434 3.813 50 0 EHAALO O=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1cn2ccccc2[nH+]1 ZINC000012623948 211425860 /nfs/dbraw/zinc/42/58/60/211425860.db2.gz HBBBKMSMSLFIKW-BQYQJAHWSA-N 1 2 345.324 3.683 50 0 EHAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)C(C)(C)C)cc2)n1 ZINC000009573273 211102419 /nfs/dbraw/zinc/10/24/19/211102419.db2.gz YGPOTACMEUSJNA-UHFFFAOYSA-N 1 2 327.432 3.945 50 0 EHAALO COc1ccc(Oc2cccc(C[N@@H+]3CCc4nc[nH]c4C3)c2)cc1 ZINC000095387905 218318755 /nfs/dbraw/zinc/31/87/55/218318755.db2.gz CSURRFXGIBWIDI-UHFFFAOYSA-N 1 2 335.407 3.769 50 0 EHAALO COc1ccc(Oc2cccc(C[N@H+]3CCc4nc[nH]c4C3)c2)cc1 ZINC000095387905 218318756 /nfs/dbraw/zinc/31/87/56/218318756.db2.gz CSURRFXGIBWIDI-UHFFFAOYSA-N 1 2 335.407 3.769 50 0 EHAALO Cn1cc[nH+]c1[C@@H](Nc1ncnc2ccsc21)c1cccc(F)c1 ZINC000008705083 210982465 /nfs/dbraw/zinc/98/24/65/210982465.db2.gz BDZUJCRARDNYGY-AWEZNQCLSA-N 1 2 339.399 3.765 50 0 EHAALO Cn1cc[nH+]c1CNc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000095412003 218348761 /nfs/dbraw/zinc/34/87/61/218348761.db2.gz FDIZNYATTCMJMT-GOSISDBHSA-N 1 2 327.815 3.767 50 0 EHAALO Cc1cccc2[nH+]c(C[S@](=O)[C@@H]3CCc4c3cccc4F)cn21 ZINC000095440965 218385422 /nfs/dbraw/zinc/38/54/22/218385422.db2.gz HIGJEWZLDGVQPP-UZUQRXQVSA-N 1 2 328.412 3.718 50 0 EHAALO C[C@H]1CCN(C(=O)Nc2nc(C3CCC3)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000283105984 258012688 /nfs/dbraw/zinc/01/26/88/258012688.db2.gz WXTWLVROSPRQKH-WFASDCNBSA-N 1 2 345.472 3.722 50 0 EHAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000089570388 258066222 /nfs/dbraw/zinc/06/62/22/258066222.db2.gz PABXZITWXILAMF-CYBMUJFWSA-N 1 2 347.846 3.684 50 0 EHAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000089570388 258066223 /nfs/dbraw/zinc/06/62/23/258066223.db2.gz PABXZITWXILAMF-CYBMUJFWSA-N 1 2 347.846 3.684 50 0 EHAALO Cc1ccc(N2CC[N@H+](Cc3nc(-c4ccccc4)no3)[C@H](C)C2)cc1 ZINC000055089409 132193812 /nfs/dbraw/zinc/19/38/12/132193812.db2.gz NQZPMYZWPAEMNO-QGZVFWFLSA-N 1 2 348.450 3.756 50 0 EHAALO Cc1ccc(N2CC[N@@H+](Cc3nc(-c4ccccc4)no3)[C@H](C)C2)cc1 ZINC000055089409 132193813 /nfs/dbraw/zinc/19/38/13/132193813.db2.gz NQZPMYZWPAEMNO-QGZVFWFLSA-N 1 2 348.450 3.756 50 0 EHAALO Cc1cccc(C[N@@H+]2CCN(c3ccc(Cl)cc3)C(=O)[C@@H]2C)c1 ZINC000037519929 132394674 /nfs/dbraw/zinc/39/46/74/132394674.db2.gz WCUXIQFSTRLMIQ-HNNXBMFYSA-N 1 2 328.843 3.886 50 0 EHAALO Cc1cccc(C[N@H+]2CCN(c3ccc(Cl)cc3)C(=O)[C@@H]2C)c1 ZINC000037519929 132394677 /nfs/dbraw/zinc/39/46/77/132394677.db2.gz WCUXIQFSTRLMIQ-HNNXBMFYSA-N 1 2 328.843 3.886 50 0 EHAALO COc1ccc(C[N@@H+]2CCN(c3cccc(C)c3C)C(=O)[C@@H]2C)cc1 ZINC000037520418 132395159 /nfs/dbraw/zinc/39/51/59/132395159.db2.gz KADXBRYZHDKRKP-KRWDZBQOSA-N 1 2 338.451 3.549 50 0 EHAALO COc1ccc(C[N@H+]2CCN(c3cccc(C)c3C)C(=O)[C@@H]2C)cc1 ZINC000037520418 132395160 /nfs/dbraw/zinc/39/51/60/132395160.db2.gz KADXBRYZHDKRKP-KRWDZBQOSA-N 1 2 338.451 3.549 50 0 EHAALO Cc1ncsc1-c1nc(COc2cc(C)[nH+]c3ccccc32)no1 ZINC000170612188 226656682 /nfs/dbraw/zinc/65/66/82/226656682.db2.gz IYAVLMLDIYDRIA-UHFFFAOYSA-N 1 2 338.392 3.937 50 0 EHAALO O=c1nc(C[NH+]2CCCCC2)[nH]c2scc(-c3cccs3)c21 ZINC000002635287 563444761 /nfs/dbraw/zinc/44/47/61/563444761.db2.gz YTMOWDCCMGCQCJ-UHFFFAOYSA-N 1 2 331.466 3.699 50 0 EHAALO Cc1noc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000071911383 563582646 /nfs/dbraw/zinc/58/26/46/563582646.db2.gz IJSNNOCVMLJSND-KRWDZBQOSA-N 1 2 327.428 3.593 50 0 EHAALO Cc1noc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000071911383 563582649 /nfs/dbraw/zinc/58/26/49/563582649.db2.gz IJSNNOCVMLJSND-KRWDZBQOSA-N 1 2 327.428 3.593 50 0 EHAALO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1Cl ZINC000013070752 563687284 /nfs/dbraw/zinc/68/72/84/563687284.db2.gz PTNCIBYNECRQNI-RYUDHWBXSA-N 1 2 327.815 3.988 50 0 EHAALO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1Cl ZINC000013070754 563687313 /nfs/dbraw/zinc/68/73/13/563687313.db2.gz PTNCIBYNECRQNI-VXGBXAGGSA-N 1 2 327.815 3.988 50 0 EHAALO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014110438 563741778 /nfs/dbraw/zinc/74/17/78/563741778.db2.gz VBTFAWOHOIVUQH-MRXNPFEDSA-N 1 2 336.435 3.609 50 0 EHAALO COc1ccc(-c2nc(C[N@H+](C)Cc3c(C)noc3C)co2)cc1 ZINC000032824014 563755478 /nfs/dbraw/zinc/75/54/78/563755478.db2.gz KHEXYCMQHHZRMT-UHFFFAOYSA-N 1 2 327.384 3.587 50 0 EHAALO COc1ccc(-c2nc(C[N@@H+](C)Cc3c(C)noc3C)co2)cc1 ZINC000032824014 563755483 /nfs/dbraw/zinc/75/54/83/563755483.db2.gz KHEXYCMQHHZRMT-UHFFFAOYSA-N 1 2 327.384 3.587 50 0 EHAALO COc1cccc(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCC4)cc2)c1 ZINC000032905904 563796202 /nfs/dbraw/zinc/79/62/02/563796202.db2.gz FIGURHZYFLBAGE-UHFFFAOYSA-N 1 2 333.391 3.757 50 0 EHAALO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc(OC)c1O ZINC000015866894 563797880 /nfs/dbraw/zinc/79/78/80/563797880.db2.gz NJSXTTRHEVOKFU-HNNXBMFYSA-N 1 2 346.427 3.858 50 0 EHAALO COc1cc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc(OC)c1O ZINC000015866894 563797881 /nfs/dbraw/zinc/79/78/81/563797881.db2.gz NJSXTTRHEVOKFU-HNNXBMFYSA-N 1 2 346.427 3.858 50 0 EHAALO CCC[C@@H](C)c1n[nH]c2c1C[N@H+](Cc1c3ccccc3nn1C)CC2 ZINC000019111504 563853568 /nfs/dbraw/zinc/85/35/68/563853568.db2.gz SIOOWPMUABJFAU-CQSZACIVSA-N 1 2 337.471 3.758 50 0 EHAALO CCC[C@@H](C)c1n[nH]c2c1C[N@@H+](Cc1c3ccccc3nn1C)CC2 ZINC000019111504 563853569 /nfs/dbraw/zinc/85/35/69/563853569.db2.gz SIOOWPMUABJFAU-CQSZACIVSA-N 1 2 337.471 3.758 50 0 EHAALO CCC[C@@H](C)c1[nH]nc2c1C[N@H+](Cc1c3ccccc3nn1C)CC2 ZINC000019111504 563853572 /nfs/dbraw/zinc/85/35/72/563853572.db2.gz SIOOWPMUABJFAU-CQSZACIVSA-N 1 2 337.471 3.758 50 0 EHAALO CCC[C@@H](C)c1[nH]nc2c1C[N@@H+](Cc1c3ccccc3nn1C)CC2 ZINC000019111504 563853575 /nfs/dbraw/zinc/85/35/75/563853575.db2.gz SIOOWPMUABJFAU-CQSZACIVSA-N 1 2 337.471 3.758 50 0 EHAALO CC(C)(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000024751365 563875102 /nfs/dbraw/zinc/87/51/02/563875102.db2.gz XHGIRPKPSGBSQL-UHFFFAOYSA-N 1 2 333.435 3.525 50 0 EHAALO COC(=O)c1oc(C[N@H+](C)Cc2nc3ccccc3s2)cc1C ZINC000025927335 563889179 /nfs/dbraw/zinc/88/91/79/563889179.db2.gz QNRQPEFKILCXML-UHFFFAOYSA-N 1 2 330.409 3.616 50 0 EHAALO COC(=O)c1oc(C[N@@H+](C)Cc2nc3ccccc3s2)cc1C ZINC000025927335 563889181 /nfs/dbraw/zinc/88/91/81/563889181.db2.gz QNRQPEFKILCXML-UHFFFAOYSA-N 1 2 330.409 3.616 50 0 EHAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(-c2nnco2)c1 ZINC000072289098 563908625 /nfs/dbraw/zinc/90/86/25/563908625.db2.gz QYESZUGBVPAEQC-UHFFFAOYSA-N 1 2 346.350 3.566 50 0 EHAALO COc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3C)no2)cc1F ZINC000058016708 563936747 /nfs/dbraw/zinc/93/67/47/563936747.db2.gz MAHHKDSXOQTQGD-UHFFFAOYSA-N 1 2 341.386 3.825 50 0 EHAALO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3C)no2)cc1F ZINC000058016708 563936748 /nfs/dbraw/zinc/93/67/48/563936748.db2.gz MAHHKDSXOQTQGD-UHFFFAOYSA-N 1 2 341.386 3.825 50 0 EHAALO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)N1CCc2ccccc21 ZINC000059389727 563948769 /nfs/dbraw/zinc/94/87/69/563948769.db2.gz FKHHUENTWABBIN-CQSZACIVSA-N 1 2 328.843 3.922 50 0 EHAALO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N1CCc2ccccc21 ZINC000059389727 563948771 /nfs/dbraw/zinc/94/87/71/563948771.db2.gz FKHHUENTWABBIN-CQSZACIVSA-N 1 2 328.843 3.922 50 0 EHAALO C[C@H](C(=O)N[C@@H](Cc1ccccc1)c1cccs1)n1cc[nH+]c1 ZINC000096408540 563950231 /nfs/dbraw/zinc/95/02/31/563950231.db2.gz NNEXVQYQIIBKAB-ZBFHGGJFSA-N 1 2 325.437 3.606 50 0 EHAALO CCc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc(CCOC)no2)o1 ZINC000096417460 563951247 /nfs/dbraw/zinc/95/12/47/563951247.db2.gz BTCPQDWRPWYQIP-HNNXBMFYSA-N 1 2 333.432 3.531 50 0 EHAALO CCc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc(CCOC)no2)o1 ZINC000096417460 563951249 /nfs/dbraw/zinc/95/12/49/563951249.db2.gz BTCPQDWRPWYQIP-HNNXBMFYSA-N 1 2 333.432 3.531 50 0 EHAALO COc1cc(F)c([C@@H](C)[NH2+]Cc2nc3ccccc3o2)cc1OC ZINC000096491792 563955654 /nfs/dbraw/zinc/95/56/54/563955654.db2.gz QZLDPVWNXJUCHU-LLVKDONJSA-N 1 2 330.359 3.835 50 0 EHAALO Cc1cc(NCc2cc(-c3ccco3)on2)nc(-c2cccnc2)[nH+]1 ZINC000065536275 563961971 /nfs/dbraw/zinc/96/19/71/563961971.db2.gz OJHCRPSCGFGRHP-UHFFFAOYSA-N 1 2 333.351 3.707 50 0 EHAALO CC(C)[C@H](Nc1nccc(CCC(F)(F)F)n1)c1[nH+]ccn1C ZINC000071765201 563965533 /nfs/dbraw/zinc/96/55/33/563965533.db2.gz DOKMIFWWYYUSCT-LBPRGKRZSA-N 1 2 327.354 3.514 50 0 EHAALO CC(C)[C@@H](Nc1nccc(CCC(F)(F)F)n1)c1[nH+]ccn1C ZINC000071765202 563965542 /nfs/dbraw/zinc/96/55/42/563965542.db2.gz DOKMIFWWYYUSCT-GFCCVEGCSA-N 1 2 327.354 3.514 50 0 EHAALO Cc1nnc(C[N@H+](Cc2ccccc2)[C@H]2CC(C)(C)OC2(C)C)o1 ZINC000097046074 563966951 /nfs/dbraw/zinc/96/69/51/563966951.db2.gz AIOSAUNWLOASOY-INIZCTEOSA-N 1 2 329.444 3.726 50 0 EHAALO Cc1nnc(C[N@@H+](Cc2ccccc2)[C@H]2CC(C)(C)OC2(C)C)o1 ZINC000097046074 563966952 /nfs/dbraw/zinc/96/69/52/563966952.db2.gz AIOSAUNWLOASOY-INIZCTEOSA-N 1 2 329.444 3.726 50 0 EHAALO CC(C)c1cnc(Cn2cc[nH+]c2-c2cncc(Br)c2)o1 ZINC000097085722 563967298 /nfs/dbraw/zinc/96/72/98/563967298.db2.gz ILEKQBFZUGLLIM-UHFFFAOYSA-N 1 2 347.216 3.867 50 0 EHAALO CCn1cc[nH+]c1CSc1nc(-c2ccccc2)c(C)c(=O)[nH]1 ZINC000097094698 563967408 /nfs/dbraw/zinc/96/74/08/563967408.db2.gz DDQUOJZERNHFMC-UHFFFAOYSA-N 1 2 326.425 3.666 50 0 EHAALO Cc1cc(N2CCC(CC(=O)N3CCCC3)CC2)[nH+]c2ccccc12 ZINC000071811058 563968056 /nfs/dbraw/zinc/96/80/56/563968056.db2.gz OQZJWCRAUSKKHK-UHFFFAOYSA-N 1 2 337.467 3.772 50 0 EHAALO Cn1cc(C[NH+]2CCOCC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000076910787 563968372 /nfs/dbraw/zinc/96/83/72/563968372.db2.gz YHTUJKCGTCNARV-UHFFFAOYSA-N 1 2 339.483 3.967 50 0 EHAALO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1nnnn1C(C)C ZINC000097000419 563970978 /nfs/dbraw/zinc/97/09/78/563970978.db2.gz BQAHOVUYSMGKAW-LBPRGKRZSA-N 1 2 342.472 3.537 50 0 EHAALO C[C@@H]([NH2+]Cc1csc([C@H]2CCCO2)n1)c1ccc2c(c1)OCO2 ZINC000097033048 563971169 /nfs/dbraw/zinc/97/11/69/563971169.db2.gz AAGBUSFOFZHMMB-IAQYHMDHSA-N 1 2 332.425 3.574 50 0 EHAALO O=C1C[C@H](Cc2ccccc2)CN1Cc1c[nH+]cn1C1CCCCC1 ZINC000095506455 563977154 /nfs/dbraw/zinc/97/71/54/563977154.db2.gz IZDBAHGFWDZTJH-SFHVURJKSA-N 1 2 337.467 3.980 50 0 EHAALO COc1ccc([C@@H]2CCCN2C(=O)Nc2cc[nH+]c(C)c2)c(OC)c1 ZINC000119961050 563983868 /nfs/dbraw/zinc/98/38/68/563983868.db2.gz GNATVCOVONBIED-KRWDZBQOSA-N 1 2 341.411 3.776 50 0 EHAALO Cc1csc([C@@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)CCO2)n1 ZINC000065473721 563998201 /nfs/dbraw/zinc/99/82/01/563998201.db2.gz DCAIBPQZDJLXSC-KRWDZBQOSA-N 1 2 341.436 3.680 50 0 EHAALO Cc1csc([C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)CCO2)n1 ZINC000065473721 563998202 /nfs/dbraw/zinc/99/82/02/563998202.db2.gz DCAIBPQZDJLXSC-KRWDZBQOSA-N 1 2 341.436 3.680 50 0 EHAALO O=[S@](Cc1cn2cc(Br)ccc2[nH+]1)C1CCCCC1 ZINC000083977966 564001168 /nfs/dbraw/zinc/00/11/68/564001168.db2.gz MLWAMCGRGUGLOM-IBGZPJMESA-N 1 2 341.274 3.678 50 0 EHAALO CCSc1ccccc1C(=O)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000062017551 564002761 /nfs/dbraw/zinc/00/27/61/564002761.db2.gz MDHWBRRKVMLLMD-UHFFFAOYSA-N 1 2 329.469 3.548 50 0 EHAALO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000045914043 564028869 /nfs/dbraw/zinc/02/88/69/564028869.db2.gz YFOSJYQKTMFDIJ-PBHICJAKSA-N 1 2 343.471 3.874 50 0 EHAALO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1ccccc1Cl ZINC000040539490 564049809 /nfs/dbraw/zinc/04/98/09/564049809.db2.gz PQZLBOGZXWIVDF-UHFFFAOYSA-N 1 2 329.831 3.655 50 0 EHAALO CC(C)n1ccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)n1 ZINC000239352113 564051592 /nfs/dbraw/zinc/05/15/92/564051592.db2.gz ABCNLPOWSXEZBN-JQHSSLGASA-N 1 2 347.503 3.939 50 0 EHAALO CC(C)n1ccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)n1 ZINC000239352113 564051593 /nfs/dbraw/zinc/05/15/93/564051593.db2.gz ABCNLPOWSXEZBN-JQHSSLGASA-N 1 2 347.503 3.939 50 0 EHAALO CC(C)n1ccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)n1 ZINC000239352118 564051614 /nfs/dbraw/zinc/05/16/14/564051614.db2.gz ABCNLPOWSXEZBN-NXHRZFHOSA-N 1 2 347.503 3.939 50 0 EHAALO CC(C)n1ccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC(C)(C)C)n1 ZINC000239352118 564051615 /nfs/dbraw/zinc/05/16/15/564051615.db2.gz ABCNLPOWSXEZBN-NXHRZFHOSA-N 1 2 347.503 3.939 50 0 EHAALO Cc1cc(C)cc(OCC(=O)N[C@H](Cc2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000012539247 564058516 /nfs/dbraw/zinc/05/85/16/564058516.db2.gz XLFDXEQISYOVAG-LJQANCHMSA-N 1 2 349.434 3.506 50 0 EHAALO Cc1cccc2[nH+]c(CNc3cccc(N4CCOC4=O)c3C)cn21 ZINC000083143470 564061612 /nfs/dbraw/zinc/06/16/12/564061612.db2.gz MFFXAXALDMMPHX-UHFFFAOYSA-N 1 2 336.395 3.520 50 0 EHAALO Cc1cc([C@H](C)NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc(C)c1F ZINC000084086125 564066291 /nfs/dbraw/zinc/06/62/91/564066291.db2.gz YMAPXNITSQEHQL-HNNXBMFYSA-N 1 2 344.434 3.747 50 0 EHAALO Cc1cc(C)c(C(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)o1 ZINC000087258920 564068333 /nfs/dbraw/zinc/06/83/33/564068333.db2.gz XEOUULAPIQUZHT-MSOLQXFVSA-N 1 2 335.407 3.752 50 0 EHAALO C[C@H](CCc1ccccc1)CC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000063644089 564073802 /nfs/dbraw/zinc/07/38/02/564073802.db2.gz IDIHFWGMXQOXOD-QGZVFWFLSA-N 1 2 348.450 3.543 50 0 EHAALO COc1c(C)c[nH+]c(CNC(=O)N([C@@H](C)c2ccco2)C2CC2)c1C ZINC000086372682 564075558 /nfs/dbraw/zinc/07/55/58/564075558.db2.gz SGGCXYLEDWQKKR-AWEZNQCLSA-N 1 2 343.427 3.735 50 0 EHAALO Cc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000012925908 564078482 /nfs/dbraw/zinc/07/84/82/564078482.db2.gz LTEYMOSRZUBBNK-UHFFFAOYSA-N 1 2 329.469 3.936 50 0 EHAALO CC1CC[NH+](Cc2csc(NC(=O)c3ccccc3F)n2)CC1 ZINC000012927530 564078582 /nfs/dbraw/zinc/07/85/82/564078582.db2.gz NOJLMBNXIOCGLR-UHFFFAOYSA-N 1 2 333.432 3.766 50 0 EHAALO O=C(c1ccc2ccccc2c1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575612062 564082721 /nfs/dbraw/zinc/08/27/21/564082721.db2.gz IVFPJEDXHJLVLJ-HXUWFJFHSA-N 1 2 332.403 3.918 50 0 EHAALO OCCNc1[nH+]c2ccccc2n1Cc1csc(C2CCCC2)n1 ZINC000063886705 564083020 /nfs/dbraw/zinc/08/30/20/564083020.db2.gz UIEBOAIKOJBEBZ-UHFFFAOYSA-N 1 2 342.468 3.603 50 0 EHAALO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000013001819 564086298 /nfs/dbraw/zinc/08/62/98/564086298.db2.gz YOGNDSNQUGBLHH-SFHVURJKSA-N 1 2 342.414 3.918 50 0 EHAALO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000013001819 564086299 /nfs/dbraw/zinc/08/62/99/564086299.db2.gz YOGNDSNQUGBLHH-SFHVURJKSA-N 1 2 342.414 3.918 50 0 EHAALO CCS[C@H](C)c1noc(C[NH+]2CCC(c3ccc(O)cc3)CC2)n1 ZINC000089274824 564087959 /nfs/dbraw/zinc/08/79/59/564087959.db2.gz GYDPVGSGHWRRDW-CYBMUJFWSA-N 1 2 347.484 3.969 50 0 EHAALO Cc1nc2c(s1)[C@H]([N@H+](C)CN1C(=O)[C@@H]3CCCCCC[C@@H]31)CCC2 ZINC000240551388 564088262 /nfs/dbraw/zinc/08/82/62/564088262.db2.gz GTIQTGGJLKAAGW-HYVNUMGLSA-N 1 2 347.528 3.899 50 0 EHAALO Cc1nc2c(s1)[C@H]([N@@H+](C)CN1C(=O)[C@@H]3CCCCCC[C@@H]31)CCC2 ZINC000240551388 564088263 /nfs/dbraw/zinc/08/82/63/564088263.db2.gz GTIQTGGJLKAAGW-HYVNUMGLSA-N 1 2 347.528 3.899 50 0 EHAALO CCn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H](C)c2ccncc2)c1 ZINC000089310042 564089657 /nfs/dbraw/zinc/08/96/57/564089657.db2.gz JBMWSZLYXJYLFQ-AWEZNQCLSA-N 1 2 335.411 3.848 50 0 EHAALO CC(C)n1cc[nH+]c1CNC(=O)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000426369925 564093521 /nfs/dbraw/zinc/09/35/21/564093521.db2.gz JOCSWQLLMIOSDF-NRFANRHFSA-N 1 2 337.467 3.982 50 0 EHAALO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000007039229 564103528 /nfs/dbraw/zinc/10/35/28/564103528.db2.gz MLLAUWFSRBPANA-MRXNPFEDSA-N 1 2 335.810 3.593 50 0 EHAALO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(F)cc1Cl ZINC000007039229 564103529 /nfs/dbraw/zinc/10/35/29/564103529.db2.gz MLLAUWFSRBPANA-MRXNPFEDSA-N 1 2 335.810 3.593 50 0 EHAALO CCN(CC)c1cc(CCC(=O)Nc2ccc(OC)cc2C)cc[nH+]1 ZINC000065270025 564103836 /nfs/dbraw/zinc/10/38/36/564103836.db2.gz YFZJISJCEPLTII-UHFFFAOYSA-N 1 2 341.455 3.816 50 0 EHAALO C[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000065504425 564106655 /nfs/dbraw/zinc/10/66/55/564106655.db2.gz KQXPCPRPBAJJEM-LSDHHAIUSA-N 1 2 341.480 3.505 50 0 EHAALO Cc1noc(C)c1C[N@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000065522282 564106895 /nfs/dbraw/zinc/10/68/95/564106895.db2.gz HTJFLMLRFFUOGB-UHFFFAOYSA-N 1 2 333.338 3.857 50 0 EHAALO Cc1noc(C)c1C[N@@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000065522282 564106896 /nfs/dbraw/zinc/10/68/96/564106896.db2.gz HTJFLMLRFFUOGB-UHFFFAOYSA-N 1 2 333.338 3.857 50 0 EHAALO Cc1[nH]c2ccc(CNC(=O)Cc3cn4cccc(C)c4[nH+]3)cc2c1C ZINC000170615711 564110011 /nfs/dbraw/zinc/11/00/11/564110011.db2.gz HJNHOPXXVAGYCP-UHFFFAOYSA-N 1 2 346.434 3.600 50 0 EHAALO O[C@@H](C[N@H+](Cc1cscn1)Cc1ccccc1)c1cccs1 ZINC000089832643 564114104 /nfs/dbraw/zinc/11/41/04/564114104.db2.gz QFDINMLQBYGEIZ-INIZCTEOSA-N 1 2 330.478 3.940 50 0 EHAALO O[C@@H](C[N@@H+](Cc1cscn1)Cc1ccccc1)c1cccs1 ZINC000089832643 564114105 /nfs/dbraw/zinc/11/41/05/564114105.db2.gz QFDINMLQBYGEIZ-INIZCTEOSA-N 1 2 330.478 3.940 50 0 EHAALO C[C@H](NC(=O)C1(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007738223 564122504 /nfs/dbraw/zinc/12/25/04/564122504.db2.gz AFBGEIORLJGYPJ-INIZCTEOSA-N 1 2 331.419 3.781 50 0 EHAALO CC[C@H](C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccc(OC)cc1 ZINC000195154434 564122883 /nfs/dbraw/zinc/12/28/83/564122883.db2.gz MPZNDLGIVXDJMK-DLBZAZTESA-N 1 2 327.428 3.666 50 0 EHAALO Cc1cc(CNC(=O)N2CCc3ccc(F)cc3[C@H]2C)c[nH+]c1C ZINC000584896264 564131652 /nfs/dbraw/zinc/13/16/52/564131652.db2.gz SBYFEMAFRHSJHQ-CQSZACIVSA-N 1 2 327.403 3.666 50 0 EHAALO CCN(Cc1ccc(C)o1)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C ZINC000584899170 564131679 /nfs/dbraw/zinc/13/16/79/564131679.db2.gz YAMBKMQPQZBHGD-UHFFFAOYSA-N 1 2 340.427 3.515 50 0 EHAALO CSc1ccccc1C[C@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000095940864 564141991 /nfs/dbraw/zinc/14/19/91/564141991.db2.gz ZXMLMVWPHIDOSR-KBXCAEBGSA-N 1 2 338.480 3.837 50 0 EHAALO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1cccc(Cl)c1Cl ZINC000096409993 564147552 /nfs/dbraw/zinc/14/75/52/564147552.db2.gz XTNBQDKLTISYHJ-LLVKDONJSA-N 1 2 326.227 3.848 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2cccc(F)c2)c1C ZINC000057380680 564153833 /nfs/dbraw/zinc/15/38/33/564153833.db2.gz NDZSMPXARKGHPX-CYBMUJFWSA-N 1 2 330.403 3.676 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(F)c2)c1C ZINC000057380680 564153834 /nfs/dbraw/zinc/15/38/34/564153834.db2.gz NDZSMPXARKGHPX-CYBMUJFWSA-N 1 2 330.403 3.676 50 0 EHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000057553771 564154933 /nfs/dbraw/zinc/15/49/33/564154933.db2.gz HJDQJCCZOMYPBX-OAHLLOKOSA-N 1 2 331.419 3.773 50 0 EHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000057553771 564154934 /nfs/dbraw/zinc/15/49/34/564154934.db2.gz HJDQJCCZOMYPBX-OAHLLOKOSA-N 1 2 331.419 3.773 50 0 EHAALO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000032419970 564161416 /nfs/dbraw/zinc/16/14/16/564161416.db2.gz FHRCXUZJKBSDNZ-HZPDHXFCSA-N 1 2 326.444 3.602 50 0 EHAALO CN(Cc1ccsc1)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000069508903 564169977 /nfs/dbraw/zinc/16/99/77/564169977.db2.gz WUJJMGLXHXKHQR-UHFFFAOYSA-N 1 2 326.425 3.813 50 0 EHAALO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]1c1cccs1 ZINC000173458875 564171044 /nfs/dbraw/zinc/17/10/44/564171044.db2.gz PUMKPXUFZBTTEH-AWEZNQCLSA-N 1 2 332.473 3.647 50 0 EHAALO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)o1)c1ccc(Cl)s1 ZINC000069653825 564171150 /nfs/dbraw/zinc/17/11/50/564171150.db2.gz QQBUNHGDVMPMTF-SNVBAGLBSA-N 1 2 335.816 3.730 50 0 EHAALO Cc1cccc(Oc2ncccc2NC(=O)CCn2cc[nH+]c2)c1C ZINC000069656227 564171172 /nfs/dbraw/zinc/17/11/72/564171172.db2.gz XPWKEMQDSOADQI-UHFFFAOYSA-N 1 2 336.395 3.716 50 0 EHAALO FC(F)(F)c1cnc(N2CCc3c([nH+]cn3C3CC3)C2)c(Cl)c1 ZINC000069979633 564173114 /nfs/dbraw/zinc/17/31/14/564173114.db2.gz AQYWBVKZWNGIKQ-UHFFFAOYSA-N 1 2 342.752 3.848 50 0 EHAALO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ncc(-c3ccc(F)cc3)o2)cn1 ZINC000071797265 564175390 /nfs/dbraw/zinc/17/53/90/564175390.db2.gz OTKHXJVSMCEMMG-INIZCTEOSA-N 1 2 326.375 3.551 50 0 EHAALO Cn1cc([C@@H]2CCC[N@H+]2Cc2ncc(-c3ccc(F)cc3)o2)cn1 ZINC000071797265 564175391 /nfs/dbraw/zinc/17/53/91/564175391.db2.gz OTKHXJVSMCEMMG-INIZCTEOSA-N 1 2 326.375 3.551 50 0 EHAALO CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000012982481 568417674 /nfs/dbraw/zinc/41/76/74/568417674.db2.gz CZPYOIBFTBPPKG-IUODEOHRSA-N 1 2 348.434 3.836 50 0 EHAALO CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000012982481 568417676 /nfs/dbraw/zinc/41/76/76/568417676.db2.gz CZPYOIBFTBPPKG-IUODEOHRSA-N 1 2 348.434 3.836 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1C1CCN(C(=O)c2ccco2)CC1 ZINC000257192143 1033044565 /nfs/dbraw/zinc/04/45/65/1033044565.db2.gz SOVUJAHDPHHDOO-UHFFFAOYSA-N 1 2 335.407 3.929 50 0 EHAALO CCn1nc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c2c1CCOC2 ZINC000675010688 1039830458 /nfs/dbraw/zinc/83/04/58/1039830458.db2.gz ITJPFEYAAXBYBT-GOSISDBHSA-N 1 2 345.874 3.966 50 0 EHAALO CCn1nc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c2c1CCOC2 ZINC000675010688 1039830491 /nfs/dbraw/zinc/83/04/91/1039830491.db2.gz ITJPFEYAAXBYBT-GOSISDBHSA-N 1 2 345.874 3.966 50 0 EHAALO Cc1c[nH+]c(-c2ccncc2)n1[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000581808210 1132371743 /nfs/dbraw/zinc/37/17/43/1132371743.db2.gz ZKQHOQPRMZUYRM-IBGZPJMESA-N 1 2 346.434 3.649 50 0 EHAALO Cc1c[nH+]c([C@@H]2CCN(C(=O)CC(C)C)C2)n1Cc1ccccc1 ZINC000581815913 1132372845 /nfs/dbraw/zinc/37/28/45/1132372845.db2.gz KOCKJBATZGWUIZ-GOSISDBHSA-N 1 2 325.456 3.602 50 0 EHAALO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2c2cccs2)cnc1Cl ZINC000585089958 1136993103 /nfs/dbraw/zinc/99/31/03/1136993103.db2.gz CWCUXTMBUPJODK-ZDUSSCGKSA-N 1 2 336.844 3.920 50 0 EHAALO COC(=O)c1cc(C[N@H+]2CCC[C@H]2c2cccs2)cnc1Cl ZINC000585089958 1136993104 /nfs/dbraw/zinc/99/31/04/1136993104.db2.gz CWCUXTMBUPJODK-ZDUSSCGKSA-N 1 2 336.844 3.920 50 0 EHAALO Cc1cc([C@H]2CCC[N@H+]2Cc2cnc(SC(F)(F)F)n2C)on1 ZINC000585117260 1137008552 /nfs/dbraw/zinc/00/85/52/1137008552.db2.gz WSPLAZHREYOTNZ-LLVKDONJSA-N 1 2 346.378 3.666 50 0 EHAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2cnc(SC(F)(F)F)n2C)on1 ZINC000585117260 1137008554 /nfs/dbraw/zinc/00/85/54/1137008554.db2.gz WSPLAZHREYOTNZ-LLVKDONJSA-N 1 2 346.378 3.666 50 0 EHAALO COc1c(C)c[nH+]c(CNC(=O)CC23CC4CC(CC(C4)C2)C3)c1C ZINC000952970771 1137484138 /nfs/dbraw/zinc/48/41/38/1137484138.db2.gz PTTBENBEXSLCGZ-UHFFFAOYSA-N 1 2 342.483 3.930 50 0 EHAALO COc1c(C)c[nH+]c(CNC(=O)c2csc3c2CCCC3)c1C ZINC000050771256 214069716 /nfs/dbraw/zinc/06/97/16/214069716.db2.gz IMPAKMSAFWLGMM-UHFFFAOYSA-N 1 2 330.453 3.577 50 0 EHAALO Cc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2Cl)o1 ZINC000052162718 214121694 /nfs/dbraw/zinc/12/16/94/214121694.db2.gz LZDNBFVYQZANTC-AWEZNQCLSA-N 1 2 334.847 3.893 50 0 EHAALO Cc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2ccccc2Cl)o1 ZINC000052162718 214121697 /nfs/dbraw/zinc/12/16/97/214121697.db2.gz LZDNBFVYQZANTC-AWEZNQCLSA-N 1 2 334.847 3.893 50 0 EHAALO C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)CCc1cn2ccccc2[nH+]1 ZINC000097657146 219045384 /nfs/dbraw/zinc/04/53/84/219045384.db2.gz VSABLBILNYZNIW-OAHLLOKOSA-N 1 2 346.434 3.968 50 0 EHAALO S=C(Nc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055043995 214266729 /nfs/dbraw/zinc/26/67/29/214266729.db2.gz TZTGPKPSFAHZFS-JXMROGBWSA-N 1 2 337.492 3.714 50 0 EHAALO Cc1oc(-c2ccoc2)nc1C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000055090826 214271978 /nfs/dbraw/zinc/27/19/78/214271978.db2.gz PSESVZOKJQGEBS-OAHLLOKOSA-N 1 2 340.379 3.515 50 0 EHAALO Cc1oc(-c2ccoc2)nc1C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000055090826 214271980 /nfs/dbraw/zinc/27/19/80/214271980.db2.gz PSESVZOKJQGEBS-OAHLLOKOSA-N 1 2 340.379 3.515 50 0 EHAALO O=C(Cc1c[nH+]c[nH]1)Nc1ccccc1OCCCc1ccccc1 ZINC000055199160 214286850 /nfs/dbraw/zinc/28/68/50/214286850.db2.gz SFHSNZSAJHVVPX-UHFFFAOYSA-N 1 2 335.407 3.603 50 0 EHAALO O=C(Cc1c[nH]c[nH+]1)Nc1ccccc1OCCCc1ccccc1 ZINC000055199160 214286857 /nfs/dbraw/zinc/28/68/57/214286857.db2.gz SFHSNZSAJHVVPX-UHFFFAOYSA-N 1 2 335.407 3.603 50 0 EHAALO O=C(C1CCCCCC1)N(CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000055392932 214316690 /nfs/dbraw/zinc/31/66/90/214316690.db2.gz XRBXCHKHJHFPJK-UHFFFAOYSA-N 1 2 340.471 3.667 50 0 EHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccco2)cc1Cl ZINC000004354680 210179100 /nfs/dbraw/zinc/17/91/00/210179100.db2.gz QLFZZOYFIMNQMC-UHFFFAOYSA-N 1 2 339.786 3.982 50 0 EHAALO C[C@@H]1CCC[C@H](N2CNC(Nc3nc4ccccc4s3)=[NH+]C2)[C@H]1C ZINC000101487028 219129209 /nfs/dbraw/zinc/12/92/09/219129209.db2.gz DKVCDNJJRMBTJV-IPYPFGDCSA-N 1 2 343.500 3.709 50 0 EHAALO Cc1cc(C)nc(NCc2ccc[nH+]c2N(C)Cc2ccccc2)n1 ZINC000067726306 215196395 /nfs/dbraw/zinc/19/63/95/215196395.db2.gz ODGJGZOEDPIYAF-UHFFFAOYSA-N 1 2 333.439 3.737 50 0 EHAALO c1ccn([C@H](Cc2c[nH]c[nH+]2)c2nc(C3CC3)nn2-c2ccccc2)c1 ZINC000067868376 215235237 /nfs/dbraw/zinc/23/52/37/215235237.db2.gz STMIDLWCECAFLO-GOSISDBHSA-N 1 2 344.422 3.501 50 0 EHAALO Cc1cccc(C[N@@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)n1 ZINC000067895912 215243657 /nfs/dbraw/zinc/24/36/57/215243657.db2.gz QMVLJVMZAWSVAS-UHFFFAOYSA-N 1 2 347.418 3.552 50 0 EHAALO Cc1cccc(C[N@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)n1 ZINC000067895912 215243658 /nfs/dbraw/zinc/24/36/58/215243658.db2.gz QMVLJVMZAWSVAS-UHFFFAOYSA-N 1 2 347.418 3.552 50 0 EHAALO CC(C)C[C@@H](C)N(C)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067948028 215257327 /nfs/dbraw/zinc/25/73/27/215257327.db2.gz VJTVTEPSPIGRHZ-MRXNPFEDSA-N 1 2 343.471 3.813 50 0 EHAALO CC(C)C[C@@H](C)N(C)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067948028 215257331 /nfs/dbraw/zinc/25/73/31/215257331.db2.gz VJTVTEPSPIGRHZ-MRXNPFEDSA-N 1 2 343.471 3.813 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc(Cl)ccc1O ZINC000040040478 213254374 /nfs/dbraw/zinc/25/43/74/213254374.db2.gz DOKIDOUAMSPTDM-UHFFFAOYSA-N 1 2 343.814 3.524 50 0 EHAALO c1ccc2c(c1)cccc2-c1nn2c(C[NH+]3CCCCC3)nnc2s1 ZINC000039389219 213236769 /nfs/dbraw/zinc/23/67/69/213236769.db2.gz SPBFYEMJZKYEOL-UHFFFAOYSA-N 1 2 349.463 3.992 50 0 EHAALO c1cn(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c([C@@H]2CCOC2)[nH+]1 ZINC000071682091 215794078 /nfs/dbraw/zinc/79/40/78/215794078.db2.gz BWIUOROUJACEIV-OAHLLOKOSA-N 1 2 330.391 3.920 50 0 EHAALO Cc1ccc(-c2ccnc(N(C)Cc3cc(C4CC4)on3)n2)c(C)[nH+]1 ZINC000071748340 215805044 /nfs/dbraw/zinc/80/50/44/215805044.db2.gz MLUGOCNOCHQIJV-UHFFFAOYSA-N 1 2 335.411 3.657 50 0 EHAALO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2[nH+]1 ZINC000072406393 216197416 /nfs/dbraw/zinc/19/74/16/216197416.db2.gz FLWXBQWYAKSPPA-UHFFFAOYSA-N 1 2 337.404 3.825 50 0 EHAALO COc1ccc(-c2[nH+]c([C@H]3CC(=O)N(C4CCCC4)C3)[nH]c2C)cc1 ZINC000023337427 212368615 /nfs/dbraw/zinc/36/86/15/212368615.db2.gz XLXHUASUHDZAQT-HNNXBMFYSA-N 1 2 339.439 3.652 50 0 EHAALO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)CN1C(=O)CC2(CCCC2)C1=O ZINC000022358252 212293590 /nfs/dbraw/zinc/29/35/90/212293590.db2.gz IKTMUOFAGREQFR-UHFFFAOYSA-N 1 2 342.483 3.693 50 0 EHAALO C[N@H+](Cc1ccc(C(C)(C)C)cc1)CN1C(=O)CC2(CCCC2)C1=O ZINC000022358252 212293593 /nfs/dbraw/zinc/29/35/93/212293593.db2.gz IKTMUOFAGREQFR-UHFFFAOYSA-N 1 2 342.483 3.693 50 0 EHAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000021275349 212217950 /nfs/dbraw/zinc/21/79/50/212217950.db2.gz XZGXWEHNYMBCCO-INIZCTEOSA-N 1 2 330.815 3.576 50 0 EHAALO Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020418835 212127064 /nfs/dbraw/zinc/12/70/64/212127064.db2.gz SNUUCXNWIFSVMC-UHFFFAOYSA-N 1 2 343.858 3.998 50 0 EHAALO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000020408273 212126659 /nfs/dbraw/zinc/12/66/59/212126659.db2.gz MMPRERRXDROFNS-UHFFFAOYSA-N 1 2 343.858 3.998 50 0 EHAALO Cc1ccccc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000016603333 211918203 /nfs/dbraw/zinc/91/82/03/211918203.db2.gz FCJWRMVVIKHHKW-UHFFFAOYSA-N 1 2 328.843 3.606 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2)C1 ZINC000091593195 218027777 /nfs/dbraw/zinc/02/77/77/218027777.db2.gz QKLBNTAASZUVIH-CYBMUJFWSA-N 1 2 332.835 3.968 50 0 EHAALO Cc1ccc2c(c1)C[N@@H+](Cc1coc3ccccc3c1=O)C[C@@H](C)O2 ZINC000011782758 211248889 /nfs/dbraw/zinc/24/88/89/211248889.db2.gz RFACPQAUOOMDAH-OAHLLOKOSA-N 1 2 335.403 3.885 50 0 EHAALO Cc1ccc2c(c1)C[N@H+](Cc1coc3ccccc3c1=O)C[C@@H](C)O2 ZINC000011782758 211248893 /nfs/dbraw/zinc/24/88/93/211248893.db2.gz RFACPQAUOOMDAH-OAHLLOKOSA-N 1 2 335.403 3.885 50 0 EHAALO O=C1N(CCCc2ccccc2)CCC[C@]12CCN(c1cccc[nH+]1)C2 ZINC000011769391 211246971 /nfs/dbraw/zinc/24/69/71/211246971.db2.gz OIOFAAHZYKRNPP-JOCHJYFZSA-N 1 2 349.478 3.533 50 0 EHAALO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000010832003 211191522 /nfs/dbraw/zinc/19/15/22/211191522.db2.gz VCOFTTGJRDYLOC-UHFFFAOYSA-N 1 2 336.435 3.528 50 0 EHAALO O=C(NC1CC1)[C@H](Sc1[nH+]cc2ccccn21)c1ccc(F)cc1 ZINC000010270005 211158759 /nfs/dbraw/zinc/15/87/59/211158759.db2.gz PAJAVRSRJXGRJP-MRXNPFEDSA-N 1 2 341.411 3.585 50 0 EHAALO COc1cc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)c(SC)cc1OC ZINC000092728482 218161689 /nfs/dbraw/zinc/16/16/89/218161689.db2.gz RXRUTPBWYTXPEO-AWEZNQCLSA-N 1 2 347.484 3.876 50 0 EHAALO COc1cc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c(SC)cc1OC ZINC000092728482 218161692 /nfs/dbraw/zinc/16/16/92/218161692.db2.gz RXRUTPBWYTXPEO-AWEZNQCLSA-N 1 2 347.484 3.876 50 0 EHAALO COc1cc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c(SC)cc1OC ZINC000092728482 218161695 /nfs/dbraw/zinc/16/16/95/218161695.db2.gz RXRUTPBWYTXPEO-AWEZNQCLSA-N 1 2 347.484 3.876 50 0 EHAALO Cc1n[nH]c(C2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)n1 ZINC000092736778 218164058 /nfs/dbraw/zinc/16/40/58/218164058.db2.gz UYDLKSKUPWGRPT-UHFFFAOYSA-N 1 2 339.468 3.616 50 0 EHAALO Cc1nc(C2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)n[nH]1 ZINC000092736778 218164060 /nfs/dbraw/zinc/16/40/60/218164060.db2.gz UYDLKSKUPWGRPT-UHFFFAOYSA-N 1 2 339.468 3.616 50 0 EHAALO Cc1nnc(C2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)[nH]1 ZINC000092736778 218164063 /nfs/dbraw/zinc/16/40/63/218164063.db2.gz UYDLKSKUPWGRPT-UHFFFAOYSA-N 1 2 339.468 3.616 50 0 EHAALO C[C@@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccccc1Cl ZINC000010093506 211147547 /nfs/dbraw/zinc/14/75/47/211147547.db2.gz VVFLMKCYBKTRMB-GFCCVEGCSA-N 1 2 334.872 3.637 50 0 EHAALO C[C@@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccccc1Cl ZINC000010093506 211147551 /nfs/dbraw/zinc/14/75/51/211147551.db2.gz VVFLMKCYBKTRMB-GFCCVEGCSA-N 1 2 334.872 3.637 50 0 EHAALO CSc1nnc(SCc2cn3cc(Cl)ccc3[nH+]2)s1 ZINC000009218296 211052617 /nfs/dbraw/zinc/05/26/17/211052617.db2.gz PHDZPQUGCXDRBA-UHFFFAOYSA-N 1 2 328.875 3.853 50 0 EHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000095357247 218290163 /nfs/dbraw/zinc/29/01/63/218290163.db2.gz SUUXBWGGPOEWJF-AWEZNQCLSA-N 1 2 347.409 3.981 50 0 EHAALO O=C(c1ccnc(NC2CCCC2)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000095405200 218340242 /nfs/dbraw/zinc/34/02/42/218340242.db2.gz PTPUGALXNIHTFR-MRXNPFEDSA-N 1 2 339.443 3.527 50 0 EHAALO O=C(NCc1[nH+]ccn1Cc1ccccc1)N(C1CC1)C1CCCC1 ZINC000095405956 218341933 /nfs/dbraw/zinc/34/19/33/218341933.db2.gz MFPCFPSXZIUYEQ-UHFFFAOYSA-N 1 2 338.455 3.548 50 0 EHAALO CCOC(=O)N(C)C1CC[NH+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000095406244 218342275 /nfs/dbraw/zinc/34/22/75/218342275.db2.gz INQZANGEJBWMKM-ZDUSSCGKSA-N 1 2 337.464 3.586 50 0 EHAALO CCN1CCc2ccc(NC(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)cc21 ZINC000095410255 218347217 /nfs/dbraw/zinc/34/72/17/218347217.db2.gz CAAJOBZWWBOFSE-INIZCTEOSA-N 1 2 339.443 3.551 50 0 EHAALO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(F)cc1OC(F)F ZINC000095423567 218365864 /nfs/dbraw/zinc/36/58/64/218365864.db2.gz MNLXOUUHXHLSDK-SECBINFHSA-N 1 2 345.390 3.800 50 0 EHAALO FC(F)Sc1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1 ZINC000006315578 210616992 /nfs/dbraw/zinc/61/69/92/210616992.db2.gz VGHPQRKZRXOSKU-UHFFFAOYSA-N 1 2 342.440 3.575 50 0 EHAALO Fc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1Br ZINC000055544010 132196078 /nfs/dbraw/zinc/19/60/78/132196078.db2.gz REGIDOLZAYGUHE-UHFFFAOYSA-N 1 2 349.247 3.910 50 0 EHAALO Cc1cccc(C[N@@H+]2CCN(c3cccc(Cl)c3)C(=O)[C@@H]2C)c1 ZINC000037519611 132393833 /nfs/dbraw/zinc/39/38/33/132393833.db2.gz GNNPTRPJISASRZ-HNNXBMFYSA-N 1 2 328.843 3.886 50 0 EHAALO Cc1cccc(C[N@H+]2CCN(c3cccc(Cl)c3)C(=O)[C@@H]2C)c1 ZINC000037519611 132393834 /nfs/dbraw/zinc/39/38/34/132393834.db2.gz GNNPTRPJISASRZ-HNNXBMFYSA-N 1 2 328.843 3.886 50 0 EHAALO CC(C)n1cc[nH+]c1CN1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187877224 528605166 /nfs/dbraw/zinc/60/51/66/528605166.db2.gz AMJCBWQSNHALLO-INIZCTEOSA-N 1 2 337.826 3.830 50 0 EHAALO CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1[nH]cc[nH+]1 ZINC000071893049 563475563 /nfs/dbraw/zinc/47/55/63/563475563.db2.gz LHDSAPMZEHYUQQ-UHFFFAOYSA-N 1 2 341.242 3.567 50 0 EHAALO OCCCc1[nH+]c2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000002700813 563446303 /nfs/dbraw/zinc/44/63/03/563446303.db2.gz YNJZDYAIODHMKD-UHFFFAOYSA-N 1 2 330.815 3.694 50 0 EHAALO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2scnc2C2CC2)CC1 ZINC000097378488 563612450 /nfs/dbraw/zinc/61/24/50/563612450.db2.gz BRFUGQVNRFDIFA-GFCCVEGCSA-N 1 2 347.509 3.601 50 0 EHAALO C[N@@H+](Cc1ccc(Cl)cc1Cl)Cn1c(=O)oc2ccccc21 ZINC000012993646 563683017 /nfs/dbraw/zinc/68/30/17/563683017.db2.gz QRDIXXGJMPBDER-UHFFFAOYSA-N 1 2 337.206 3.991 50 0 EHAALO C[N@H+](Cc1ccc(Cl)cc1Cl)Cn1c(=O)oc2ccccc21 ZINC000012993646 563683019 /nfs/dbraw/zinc/68/30/19/563683019.db2.gz QRDIXXGJMPBDER-UHFFFAOYSA-N 1 2 337.206 3.991 50 0 EHAALO C[C@H](c1nc(=O)c2c(-c3ccco3)csc2[nH]1)[NH+]1CCCCC1 ZINC000014199282 563750060 /nfs/dbraw/zinc/75/00/60/563750060.db2.gz OMPAVDXCGUAYBX-LLVKDONJSA-N 1 2 329.425 3.792 50 0 EHAALO Cc1cc(NC[C@@H](O)COc2ccc(F)cc2)[nH+]c2ccccc12 ZINC000072027513 563860655 /nfs/dbraw/zinc/86/06/55/563860655.db2.gz LGTAUWCOHFEYGO-OAHLLOKOSA-N 1 2 326.371 3.534 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000024830536 563876327 /nfs/dbraw/zinc/87/63/27/563876327.db2.gz LSYUFNWPQXXTPC-INIZCTEOSA-N 1 2 342.349 3.609 50 0 EHAALO C[C@@H](NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000029655618 563907595 /nfs/dbraw/zinc/90/75/95/563907595.db2.gz BIKHQVROWBVBSZ-CVEARBPZSA-N 1 2 334.423 3.994 50 0 EHAALO CC(C)c1ccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000030685080 563910350 /nfs/dbraw/zinc/91/03/50/563910350.db2.gz AEGCWCXYPJGOEF-UHFFFAOYSA-N 1 2 334.423 3.663 50 0 EHAALO Cc1cc([C@H](C)NC(=O)Cc2cn3cccc(C)c3[nH+]2)c(C)s1 ZINC000058161418 563938407 /nfs/dbraw/zinc/93/84/07/563938407.db2.gz LOIYJPWIKPHOQO-ZDUSSCGKSA-N 1 2 327.453 3.741 50 0 EHAALO CC(C)c1nc(CN[C@H](c2[nH+]ccn2C)c2ccccc2)cs1 ZINC000058310514 563942290 /nfs/dbraw/zinc/94/22/90/563942290.db2.gz KBNWSYXNWLDXIH-INIZCTEOSA-N 1 2 326.469 3.879 50 0 EHAALO CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H]1c1nnc2ccccn21 ZINC000058398393 563944869 /nfs/dbraw/zinc/94/48/69/563944869.db2.gz FNWQXIUQZFSHQZ-KRWDZBQOSA-N 1 2 336.439 3.854 50 0 EHAALO CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]1c1nnc2ccccn21 ZINC000058398393 563944870 /nfs/dbraw/zinc/94/48/70/563944870.db2.gz FNWQXIUQZFSHQZ-KRWDZBQOSA-N 1 2 336.439 3.854 50 0 EHAALO O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000096427192 563952175 /nfs/dbraw/zinc/95/21/75/563952175.db2.gz YRCYABFJFJPXQA-OAHLLOKOSA-N 1 2 337.345 3.656 50 0 EHAALO Cc1[nH+]c2ccccn2c1CN(Cc1ccco1)Cc1cccnc1 ZINC000096500530 563955913 /nfs/dbraw/zinc/95/59/13/563955913.db2.gz WOUKCVZSFUZXOS-UHFFFAOYSA-N 1 2 332.407 3.833 50 0 EHAALO Cc1nc2ccccn2c1C[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000096500530 563955915 /nfs/dbraw/zinc/95/59/15/563955915.db2.gz WOUKCVZSFUZXOS-UHFFFAOYSA-N 1 2 332.407 3.833 50 0 EHAALO Cc1nc2ccccn2c1C[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000096500530 563955916 /nfs/dbraw/zinc/95/59/16/563955916.db2.gz WOUKCVZSFUZXOS-UHFFFAOYSA-N 1 2 332.407 3.833 50 0 EHAALO CC(=O)Nc1ccc(-c2[nH+]ccn2[C@@H](C)c2csc(C)n2)cc1 ZINC000071498786 563964507 /nfs/dbraw/zinc/96/45/07/563964507.db2.gz UWVBDGOPZHBLEZ-NSHDSACASA-N 1 2 326.425 3.883 50 0 EHAALO COc1cccc2[nH]cc(CC(=O)Nc3ccccc3-n3cc[nH+]c3)c21 ZINC000097047874 563967012 /nfs/dbraw/zinc/96/70/12/563967012.db2.gz GJBDGVYKCPHCNB-UHFFFAOYSA-N 1 2 346.390 3.543 50 0 EHAALO CC(C)c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)s2)n1 ZINC000077354500 563969117 /nfs/dbraw/zinc/96/91/17/563969117.db2.gz ZPICAMXCLOMGHW-AWEZNQCLSA-N 1 2 343.456 3.982 50 0 EHAALO CC(C)c1noc([C@@H]2CCC[N@H+]2Cc2ccc(-c3cc[nH]n3)s2)n1 ZINC000077354500 563969118 /nfs/dbraw/zinc/96/91/18/563969118.db2.gz ZPICAMXCLOMGHW-AWEZNQCLSA-N 1 2 343.456 3.982 50 0 EHAALO CCc1[nH+]c(C)ccc1OCC(=O)N(C)Cc1cccc2cnccc21 ZINC000077470804 563969902 /nfs/dbraw/zinc/96/99/02/563969902.db2.gz FQRVNSOYMIKTRS-UHFFFAOYSA-N 1 2 349.434 3.538 50 0 EHAALO O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000127526766 563971194 /nfs/dbraw/zinc/97/11/94/563971194.db2.gz QYSQJALRYYERAG-STQMWFEESA-N 1 2 344.381 3.767 50 0 EHAALO Cc1cn2cc(C(=O)N[C@H](c3ccccc3)c3ccccn3)ccc2[nH+]1 ZINC000082086869 563971999 /nfs/dbraw/zinc/97/19/99/563971999.db2.gz OIZHTFGBEHFPMI-HXUWFJFHSA-N 1 2 342.402 3.557 50 0 EHAALO O=C([C@@H](F)c1ccccc1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082137543 563972621 /nfs/dbraw/zinc/97/26/21/563972621.db2.gz ZXLXNYIHDDTQFY-SFHVURJKSA-N 1 2 341.430 3.710 50 0 EHAALO Clc1ccc2cccnc2c1C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000097199955 563973240 /nfs/dbraw/zinc/97/32/40/563973240.db2.gz FETIOFQTQRHTDU-OAHLLOKOSA-N 1 2 345.855 3.918 50 0 EHAALO Clc1ccc2cccnc2c1C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000097199955 563973241 /nfs/dbraw/zinc/97/32/41/563973241.db2.gz FETIOFQTQRHTDU-OAHLLOKOSA-N 1 2 345.855 3.918 50 0 EHAALO CCc1sc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C ZINC000060046699 563973465 /nfs/dbraw/zinc/97/34/65/563973465.db2.gz ZSPYWLNNGRRSFF-UHFFFAOYSA-N 1 2 343.427 3.874 50 0 EHAALO Cc1cc2[nH+]cn(CC(=O)Nc3ccc(OC(F)F)cc3)c2cc1C ZINC000014360953 563984038 /nfs/dbraw/zinc/98/40/38/563984038.db2.gz RSQOAXVKUHOVNH-UHFFFAOYSA-N 1 2 345.349 3.893 50 0 EHAALO COC(=O)[C@H](c1cccnc1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000121789244 563994248 /nfs/dbraw/zinc/99/42/48/563994248.db2.gz CGQVQJYQJQXXST-FQEVSTJZSA-N 1 2 349.434 3.657 50 0 EHAALO c1ccc2nc(C[N@@H+]3CCCC[C@@H]3c3nnc4n3CCCC4)ccc2c1 ZINC000124319952 563995138 /nfs/dbraw/zinc/99/51/38/563995138.db2.gz LNSRWZFXSSGORK-LJQANCHMSA-N 1 2 347.466 3.890 50 0 EHAALO c1ccc2nc(C[N@H+]3CCCC[C@@H]3c3nnc4n3CCCC4)ccc2c1 ZINC000124319952 563995139 /nfs/dbraw/zinc/99/51/39/563995139.db2.gz LNSRWZFXSSGORK-LJQANCHMSA-N 1 2 347.466 3.890 50 0 EHAALO CCc1nc(C2([NH2+]Cc3cc(-c4ccccc4)n[nH]3)CCCC2)no1 ZINC000135999154 563997536 /nfs/dbraw/zinc/99/75/36/563997536.db2.gz JAIZCAKNDXGHOR-UHFFFAOYSA-N 1 2 337.427 3.581 50 0 EHAALO CSc1cccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1C ZINC000253420348 563999233 /nfs/dbraw/zinc/99/92/33/563999233.db2.gz RGCIAMKPFAOJDL-AWEZNQCLSA-N 1 2 330.457 3.610 50 0 EHAALO Cc1ccc2cc(C[NH2+]Cc3nnc(C(C)(C)C)s3)ccc2n1 ZINC000275608960 564009679 /nfs/dbraw/zinc/00/96/79/564009679.db2.gz MNOWZRVFCJEWHZ-UHFFFAOYSA-N 1 2 326.469 3.982 50 0 EHAALO Cc1ccc(-c2ccc(=O)n(C[N@@H+]3CCC[C@H]3C3CCC3)n2)s1 ZINC000102885635 564020911 /nfs/dbraw/zinc/02/09/11/564020911.db2.gz MVADLUJOJCIPNN-INIZCTEOSA-N 1 2 329.469 3.502 50 0 EHAALO Cc1ccc(-c2ccc(=O)n(C[N@H+]3CCC[C@H]3C3CCC3)n2)s1 ZINC000102885635 564020912 /nfs/dbraw/zinc/02/09/12/564020912.db2.gz MVADLUJOJCIPNN-INIZCTEOSA-N 1 2 329.469 3.502 50 0 EHAALO COC(=O)c1oc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1C ZINC000048236886 564030190 /nfs/dbraw/zinc/03/01/90/564030190.db2.gz MEEJSFMLOFIRIT-UHFFFAOYSA-N 1 2 335.350 3.817 50 0 EHAALO COC(=O)c1oc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc1C ZINC000048236886 564030191 /nfs/dbraw/zinc/03/01/91/564030191.db2.gz MEEJSFMLOFIRIT-UHFFFAOYSA-N 1 2 335.350 3.817 50 0 EHAALO Cc1ccc(OCCCSc2[nH+]cnc3c2cnn3C)cc1C ZINC000048313019 564031044 /nfs/dbraw/zinc/03/10/44/564031044.db2.gz UDNRTTVNUIONCG-UHFFFAOYSA-N 1 2 328.441 3.541 50 0 EHAALO Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000024792624 564033845 /nfs/dbraw/zinc/03/38/45/564033845.db2.gz UKQWOFQMKYMDIX-UHFFFAOYSA-N 1 2 330.391 3.843 50 0 EHAALO CCC[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1[nH+]ccn1C ZINC000220436215 564035885 /nfs/dbraw/zinc/03/58/85/564035885.db2.gz BRHAQAYGJMCEQY-GOSISDBHSA-N 1 2 338.455 3.882 50 0 EHAALO CC[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000074265475 564073497 /nfs/dbraw/zinc/07/34/97/564073497.db2.gz QYMAHQVWZVRHIC-HKUYNNGSSA-N 1 2 325.456 3.706 50 0 EHAALO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000012858065 564075599 /nfs/dbraw/zinc/07/55/99/564075599.db2.gz IZOMCXZZAXTKEI-LBPRGKRZSA-N 1 2 343.427 3.894 50 0 EHAALO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000012858065 564075600 /nfs/dbraw/zinc/07/56/00/564075600.db2.gz IZOMCXZZAXTKEI-LBPRGKRZSA-N 1 2 343.427 3.894 50 0 EHAALO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000096179498 564076261 /nfs/dbraw/zinc/07/62/61/564076261.db2.gz QUBNTZOVUQHMTF-OAHLLOKOSA-N 1 2 341.455 3.676 50 0 EHAALO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc2ccccc2c1 ZINC000096179498 564076262 /nfs/dbraw/zinc/07/62/62/564076262.db2.gz QUBNTZOVUQHMTF-OAHLLOKOSA-N 1 2 341.455 3.676 50 0 EHAALO O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[C@@H]1CCCn2cc[nH+]c21 ZINC000088263206 564078732 /nfs/dbraw/zinc/07/87/32/564078732.db2.gz VHECNZWFPINOFR-MOPGFXCFSA-N 1 2 349.409 3.805 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)Cc2ccccc2C)C1 ZINC000575615338 564083409 /nfs/dbraw/zinc/08/34/09/564083409.db2.gz DBOYLTNZQAWBFC-GOSISDBHSA-N 1 2 333.435 3.669 50 0 EHAALO Cc1ncsc1C(=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575618464 564083663 /nfs/dbraw/zinc/08/36/63/564083663.db2.gz BKAPRRPOXUSUHW-UHFFFAOYSA-N 1 2 338.436 3.904 50 0 EHAALO Cc1cccnc1[C@@H](NC(=O)c1ccc(-c2[nH+]ccn2C)cc1)C1CC1 ZINC000426510546 564093940 /nfs/dbraw/zinc/09/39/40/564093940.db2.gz ALUFQKUTRYKPMU-IBGZPJMESA-N 1 2 346.434 3.672 50 0 EHAALO CCN(CC)c1cc(CCC(=O)NCc2ccc(Cl)cc2)cc[nH+]1 ZINC000065269964 564103813 /nfs/dbraw/zinc/10/38/13/564103813.db2.gz KAAVEIQRGWTRHF-UHFFFAOYSA-N 1 2 345.874 3.830 50 0 EHAALO CN(CCCNC(=O)N1CCC[C@H]1c1ccsc1)c1cccc[nH+]1 ZINC000065439584 564105975 /nfs/dbraw/zinc/10/59/75/564105975.db2.gz SPHVLXQFVXYLEP-INIZCTEOSA-N 1 2 344.484 3.516 50 0 EHAALO Cc1[nH+]c2n(c1C)CCN(Cc1csc(-c3cccs3)n1)C2 ZINC000065474354 564106230 /nfs/dbraw/zinc/10/62/30/564106230.db2.gz QQEHXNBQHUIURE-UHFFFAOYSA-N 1 2 330.482 3.701 50 0 EHAALO O=c1scc(-c2ccccn2)n1C[N@H+](Cc1cccs1)C1CC1 ZINC000065562416 564107611 /nfs/dbraw/zinc/10/76/11/564107611.db2.gz UWTAYSODKCFSFS-UHFFFAOYSA-N 1 2 343.477 3.655 50 0 EHAALO O=c1scc(-c2ccccn2)n1C[N@@H+](Cc1cccs1)C1CC1 ZINC000065562416 564107612 /nfs/dbraw/zinc/10/76/12/564107612.db2.gz UWTAYSODKCFSFS-UHFFFAOYSA-N 1 2 343.477 3.655 50 0 EHAALO CCCCn1c(SCc2ccccn2)nnc1[C@@H](CC)[NH+](C)C ZINC000065605429 564108151 /nfs/dbraw/zinc/10/81/51/564108151.db2.gz UMTPYZQPPIJOSW-OAHLLOKOSA-N 1 2 333.505 3.778 50 0 EHAALO C[C@H](CCc1ccccc1)CC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000065620899 564108421 /nfs/dbraw/zinc/10/84/21/564108421.db2.gz FOPAWQZGTZAFCG-QGZVFWFLSA-N 1 2 348.450 3.543 50 0 EHAALO O=C(Nc1cccc(OCCn2cc[nH+]c2)c1)c1ccccc1Cl ZINC000042706809 564111072 /nfs/dbraw/zinc/11/10/72/564111072.db2.gz MSLZOBVUDNIIFW-UHFFFAOYSA-N 1 2 341.798 3.868 50 0 EHAALO Cc1cccc(N2CC[NH+](Cc3nc4cccnc4s3)CC2)c1C ZINC000089686578 564113053 /nfs/dbraw/zinc/11/30/53/564113053.db2.gz QNSVEJPXAKYTAA-UHFFFAOYSA-N 1 2 338.480 3.630 50 0 EHAALO c1ccc2oc(CCC[N@@H+]3CCC[C@H]3c3noc(C4CC4)n3)nc2c1 ZINC000076047463 564114840 /nfs/dbraw/zinc/11/48/40/564114840.db2.gz KFKGOBWRUAYOTA-HNNXBMFYSA-N 1 2 338.411 3.858 50 0 EHAALO c1ccc2oc(CCC[N@H+]3CCC[C@H]3c3noc(C4CC4)n3)nc2c1 ZINC000076047463 564114841 /nfs/dbraw/zinc/11/48/41/564114841.db2.gz KFKGOBWRUAYOTA-HNNXBMFYSA-N 1 2 338.411 3.858 50 0 EHAALO Cc1cc(N)nc(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)[nH+]1 ZINC000170637172 564117354 /nfs/dbraw/zinc/11/73/54/564117354.db2.gz ZJQZQPCZIBVBEO-UHFFFAOYSA-N 1 2 347.443 3.913 50 0 EHAALO C[C@H](c1ccco1)N(C(=O)N[C@H]1CCC[C@H]1n1cc[nH+]c1)C1CC1 ZINC000252512490 564120188 /nfs/dbraw/zinc/12/01/88/564120188.db2.gz RHFILCLBLAAYRO-VNQPRFMTSA-N 1 2 328.416 3.505 50 0 EHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)C(C)(C)C)cc1 ZINC000002447507 564135266 /nfs/dbraw/zinc/13/52/66/564135266.db2.gz MMWHMKRWNMYQMV-UHFFFAOYSA-N 1 2 340.452 3.831 50 0 EHAALO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(=O)c3ccsc3[nH]2)c1 ZINC000079105565 564137905 /nfs/dbraw/zinc/13/79/05/564137905.db2.gz GROMZKUIRJQWNL-HNNXBMFYSA-N 1 2 325.437 3.630 50 0 EHAALO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nc(=O)c3ccsc3[nH]2)c1 ZINC000079105565 564137906 /nfs/dbraw/zinc/13/79/06/564137906.db2.gz GROMZKUIRJQWNL-HNNXBMFYSA-N 1 2 325.437 3.630 50 0 EHAALO O=C(NCCCn1cc[nH+]c1)c1ccc(Oc2ccccc2Cl)o1 ZINC000096183872 564145883 /nfs/dbraw/zinc/14/58/83/564145883.db2.gz HGFUGKBKAZNFNM-UHFFFAOYSA-N 1 2 345.786 3.742 50 0 EHAALO COc1cc2cc[nH+]cc2cc1OCC(=O)Nc1ccc(F)cc1F ZINC000097115048 564149437 /nfs/dbraw/zinc/14/94/37/564149437.db2.gz MOANETSIMOTSNQ-UHFFFAOYSA-N 1 2 344.317 3.539 50 0 EHAALO O=C(c1ccc2[nH+]ccn2c1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000069485512 564169795 /nfs/dbraw/zinc/16/97/95/564169795.db2.gz HMAOLMUTUNPSKW-UHFFFAOYSA-N 1 2 344.418 3.835 50 0 EHAALO Cc1cccc(C2(C(=O)N3CCC(n4cc[nH+]c4)CC3)CCCC2)c1 ZINC000069485410 564169819 /nfs/dbraw/zinc/16/98/19/564169819.db2.gz JQPFDIJEHXIHCX-UHFFFAOYSA-N 1 2 337.467 3.867 50 0 EHAALO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2cn[nH]c2C)cc1 ZINC000069564092 564170498 /nfs/dbraw/zinc/17/04/98/564170498.db2.gz GEERWDUKRMEFQQ-HXUWFJFHSA-N 1 2 339.414 3.939 50 0 EHAALO O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069631935 564171112 /nfs/dbraw/zinc/17/11/12/564171112.db2.gz XRHVSDPXBTWNDI-GOSISDBHSA-N 1 2 349.434 3.939 50 0 EHAALO Cn1cc[nH+]c1[C@H](NCc1ccc(F)cc1F)c1ccc(F)cc1 ZINC000042203697 564174737 /nfs/dbraw/zinc/17/47/37/564174737.db2.gz USZISPQYZXLBEE-QGZVFWFLSA-N 1 2 331.341 3.717 50 0 EHAALO O=C1c2cccc3cccc(c23)N1Cc1[nH+]ccn1CC(F)(F)F ZINC000076693776 564176480 /nfs/dbraw/zinc/17/64/80/564176480.db2.gz ZLAJFAQGTOUKCT-UHFFFAOYSA-N 1 2 331.297 3.759 50 0 EHAALO CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(C)o2)sc1C ZINC000331377107 1040926327 /nfs/dbraw/zinc/92/63/27/1040926327.db2.gz CNMKSYBFCVFZLV-CQSZACIVSA-N 1 2 333.457 3.691 50 0 EHAALO CCc1nc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(C)o2)sc1C ZINC000331377107 1040926344 /nfs/dbraw/zinc/92/63/44/1040926344.db2.gz CNMKSYBFCVFZLV-CQSZACIVSA-N 1 2 333.457 3.691 50 0 EHAALO FC(F)(F)c1cccc(Oc2ncccc2C[NH2+]Cc2cnc[nH]2)c1 ZINC000012316264 1129517866 /nfs/dbraw/zinc/51/78/66/1129517866.db2.gz HGXUZSJYIWJFPS-UHFFFAOYSA-N 1 2 348.328 3.906 50 0 EHAALO c1nn(-c2ccccc2)c2nc[nH+]c(N3CC[C@H]3c3ccccc3)c12 ZINC000052450541 214130188 /nfs/dbraw/zinc/13/01/88/214130188.db2.gz TZOWTHBYZPTCGG-SFHVURJKSA-N 1 2 327.391 3.767 50 0 EHAALO C[C@@H]1c2cc(F)ccc2CCN1C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097758012 219054754 /nfs/dbraw/zinc/05/47/54/219054754.db2.gz ZARRJTPYVYOYEF-CYBMUJFWSA-N 1 2 335.382 3.975 50 0 EHAALO CCCCOc1c(C[NH2+][C@H](CC)c2nc(C)no2)cccc1OC ZINC000055403169 214320613 /nfs/dbraw/zinc/32/06/13/214320613.db2.gz XGUSVCYWJWTUCS-OAHLLOKOSA-N 1 2 333.432 3.806 50 0 EHAALO Cc1ccc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccccn2)c(C)c1F ZINC000067713246 215191176 /nfs/dbraw/zinc/19/11/76/215191176.db2.gz ZRROFSAETFYHKN-HXUWFJFHSA-N 1 2 336.414 3.708 50 0 EHAALO c1[nH]c2c([nH+]1)CCN(Cc1cccnc1)[C@H]2c1cc2ccccc2o1 ZINC000067803745 215216451 /nfs/dbraw/zinc/21/64/51/215216451.db2.gz VPUATVMLOSFKGQ-FQEVSTJZSA-N 1 2 330.391 3.699 50 0 EHAALO Cc1nc(N2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)cc[nH+]1 ZINC000067982860 215267415 /nfs/dbraw/zinc/26/74/15/215267415.db2.gz LMTGMRCXHVUADE-UHFFFAOYSA-N 1 2 337.402 3.698 50 0 EHAALO COc1ccc(-c2nnc(C[NH2+][C@@H](C)c3ccccc3F)o2)cc1 ZINC000040477280 213313080 /nfs/dbraw/zinc/31/30/80/213313080.db2.gz SQGUQFYONBPOBL-LBPRGKRZSA-N 1 2 327.359 3.735 50 0 EHAALO c1nn(CCOc2ccccc2)c2nc[nH+]c(NCc3ccccc3)c12 ZINC000036729265 213115276 /nfs/dbraw/zinc/11/52/76/213115276.db2.gz UMDMYQCGHXYZTL-UHFFFAOYSA-N 1 2 345.406 3.517 50 0 EHAALO COc1ccc(-c2[nH+]ccn2CCCc2c(C)noc2C)cc1O ZINC000072128354 216019237 /nfs/dbraw/zinc/01/92/37/216019237.db2.gz PFFSTJQSSOXBAF-UHFFFAOYSA-N 1 2 327.384 3.502 50 0 EHAALO c1cn(Cc2ccccc2-n2cc[nH+]c2)c(-c2ccc3c(c2)OCO3)n1 ZINC000072141585 216027288 /nfs/dbraw/zinc/02/72/88/216027288.db2.gz UTDSEJWTGHSFIV-UHFFFAOYSA-N 1 2 344.374 3.513 50 0 EHAALO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(-c2ccccc2)[nH]n1 ZINC000023890117 212398932 /nfs/dbraw/zinc/39/89/32/212398932.db2.gz AMYPLNIRWOSHKG-UHFFFAOYSA-N 1 2 329.363 3.515 50 0 EHAALO Cc1cc2oc(=O)cc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2cc1C(C)C ZINC000021821994 212254865 /nfs/dbraw/zinc/25/48/65/212254865.db2.gz FNOCGLYKNHNNJV-GJZGRUSLSA-N 1 2 329.440 3.834 50 0 EHAALO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)c(OC)c2)no1 ZINC000021720624 212243987 /nfs/dbraw/zinc/24/39/87/212243987.db2.gz FEKMLBXFMCKERY-KRWDZBQOSA-N 1 2 330.428 3.981 50 0 EHAALO CCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OC)c(OC)c2)no1 ZINC000021720624 212243989 /nfs/dbraw/zinc/24/39/89/212243989.db2.gz FEKMLBXFMCKERY-KRWDZBQOSA-N 1 2 330.428 3.981 50 0 EHAALO CCC(CC)c1n[nH]c2c1C[N@H+](Cc1nc(C)c(C)nc1C)CC2 ZINC000020234139 212113947 /nfs/dbraw/zinc/11/39/47/212113947.db2.gz RUGSTBTVCLRXKI-UHFFFAOYSA-N 1 2 327.476 3.587 50 0 EHAALO CCC(CC)c1n[nH]c2c1C[N@@H+](Cc1nc(C)c(C)nc1C)CC2 ZINC000020234139 212113949 /nfs/dbraw/zinc/11/39/49/212113949.db2.gz RUGSTBTVCLRXKI-UHFFFAOYSA-N 1 2 327.476 3.587 50 0 EHAALO CCC(CC)c1[nH]nc2c1C[N@H+](Cc1nc(C)c(C)nc1C)CC2 ZINC000020234139 212113951 /nfs/dbraw/zinc/11/39/51/212113951.db2.gz RUGSTBTVCLRXKI-UHFFFAOYSA-N 1 2 327.476 3.587 50 0 EHAALO CCC(CC)c1[nH]nc2c1C[N@@H+](Cc1nc(C)c(C)nc1C)CC2 ZINC000020234139 212113952 /nfs/dbraw/zinc/11/39/52/212113952.db2.gz RUGSTBTVCLRXKI-UHFFFAOYSA-N 1 2 327.476 3.587 50 0 EHAALO CN(C)c1[nH+]cccc1CNC(=O)c1ccccc1-c1ccccc1 ZINC000048228695 213896767 /nfs/dbraw/zinc/89/67/67/213896767.db2.gz YIRUJRHAWAIFRF-UHFFFAOYSA-N 1 2 331.419 3.745 50 0 EHAALO CC(C)Sc1ccc(NCc2cc[nH+]c(N3CCCC3)c2)nn1 ZINC000079052362 217182995 /nfs/dbraw/zinc/18/29/95/217182995.db2.gz GVLFMGWCEAOJGV-UHFFFAOYSA-N 1 2 329.473 3.584 50 0 EHAALO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080910412 217339971 /nfs/dbraw/zinc/33/99/71/217339971.db2.gz QNRCCXYIOPBDJA-CQSZACIVSA-N 1 2 331.847 3.811 50 0 EHAALO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080910412 217339973 /nfs/dbraw/zinc/33/99/73/217339973.db2.gz QNRCCXYIOPBDJA-CQSZACIVSA-N 1 2 331.847 3.811 50 0 EHAALO CN(C)c1ccc(Nc2nc(-c3ccncc3)nc3ccccc32)c[nH+]1 ZINC000095348734 218282502 /nfs/dbraw/zinc/28/25/02/218282502.db2.gz LXODYPZUSLGHGB-UHFFFAOYSA-N 1 2 342.406 3.896 50 0 EHAALO O=C(Cc1ccsc1)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095366019 218298939 /nfs/dbraw/zinc/29/89/39/218298939.db2.gz KPDSJJZXBHYDFS-KRWDZBQOSA-N 1 2 343.496 3.693 50 0 EHAALO CCOC(=O)c1sc2ccccc2c1NC(=O)C[NH+]1CCCCC1 ZINC000008844422 211010521 /nfs/dbraw/zinc/01/05/21/211010521.db2.gz FWGKCPXCSWEMTP-UHFFFAOYSA-N 1 2 346.452 3.502 50 0 EHAALO Cc1nnc(C[NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)n1C ZINC000097233249 219001407 /nfs/dbraw/zinc/00/14/07/219001407.db2.gz TXBRDXOPPGSQMS-SFHVURJKSA-N 1 2 326.831 3.656 50 0 EHAALO O=C(C[C@H]1OCCc2ccccc21)Nc1ccccc1-n1cc[nH+]c1 ZINC000115329819 220830386 /nfs/dbraw/zinc/83/03/86/220830386.db2.gz JKLRDENLDBLSPL-LJQANCHMSA-N 1 2 333.391 3.515 50 0 EHAALO Cc1ccccc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000021600939 258057252 /nfs/dbraw/zinc/05/72/52/258057252.db2.gz KGYVZPABNUKCPD-KRWDZBQOSA-N 1 2 339.826 3.901 50 0 EHAALO Brc1cccc(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000055543401 132195612 /nfs/dbraw/zinc/19/56/12/132195612.db2.gz IBOJYAHHQFJTCO-UHFFFAOYSA-N 1 2 331.257 3.771 50 0 EHAALO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000035399833 132390385 /nfs/dbraw/zinc/39/03/85/132390385.db2.gz LYLNSAKOOPSRGW-QGZVFWFLSA-N 1 2 347.462 3.870 50 0 EHAALO O=C(NCCc1ccccc1)Nc1ccc(-c2c[nH+]c3n2CCC3)cc1 ZINC000085471601 262501681 /nfs/dbraw/zinc/50/16/81/262501681.db2.gz QSQVHMJGCFDPBC-UHFFFAOYSA-N 1 2 346.434 3.861 50 0 EHAALO CC[C@H](C)c1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000006742352 563584634 /nfs/dbraw/zinc/58/46/34/563584634.db2.gz KJSPPXHQSTZLJY-INIZCTEOSA-N 1 2 338.455 3.949 50 0 EHAALO Cc1cccn2cc(CCNC(=O)c3ccc(C(F)(F)F)cc3)[nH+]c12 ZINC000002960964 563622433 /nfs/dbraw/zinc/62/24/33/563622433.db2.gz WXMXDFSYWDUSLK-UHFFFAOYSA-N 1 2 347.340 3.634 50 0 EHAALO Cc1[nH+]c2cc(C)ccn2c1C1N=NC(=S)N1Cc1ccccc1 ZINC000008684375 563635343 /nfs/dbraw/zinc/63/53/43/563635343.db2.gz YXRCPESDPQBXKN-UHFFFAOYSA-N 1 2 335.436 3.547 50 0 EHAALO Cc1ccc(C)c(NC(=O)N2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000032611414 563665407 /nfs/dbraw/zinc/66/54/07/563665407.db2.gz TUMMAUVOLIWOIF-UHFFFAOYSA-N 1 2 341.430 3.792 50 0 EHAALO Fc1ccccc1-c1nc(SCc2cn3ccccc3[nH+]2)n[nH]1 ZINC000032708045 563693169 /nfs/dbraw/zinc/69/31/69/563693169.db2.gz VGKUTFJTAATOAL-UHFFFAOYSA-N 1 2 325.372 3.551 50 0 EHAALO O=C(c1c[nH]c2ccccc12)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013624715 563704329 /nfs/dbraw/zinc/70/43/29/563704329.db2.gz FUTQNOIUYDJALN-RMKNXTFCSA-N 1 2 345.446 3.639 50 0 EHAALO COc1ccc(-c2[nH]cc(CCNC(=O)c3ccc(C)c(C)c3)[nH+]2)cc1 ZINC000013653523 563707128 /nfs/dbraw/zinc/70/71/28/563707128.db2.gz DVOHBXIGHNWIGN-UHFFFAOYSA-N 1 2 349.434 3.675 50 0 EHAALO COc1ccc(-c2[nH]c(CCNC(=O)c3ccc(C)c(C)c3)c[nH+]2)cc1 ZINC000013653523 563707131 /nfs/dbraw/zinc/70/71/31/563707131.db2.gz DVOHBXIGHNWIGN-UHFFFAOYSA-N 1 2 349.434 3.675 50 0 EHAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)NCc1cccs1 ZINC000032739766 563720950 /nfs/dbraw/zinc/72/09/50/563720950.db2.gz XPGOVVJQGIVXSC-GFCCVEGCSA-N 1 2 345.493 3.667 50 0 EHAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000032739766 563720951 /nfs/dbraw/zinc/72/09/51/563720951.db2.gz XPGOVVJQGIVXSC-GFCCVEGCSA-N 1 2 345.493 3.667 50 0 EHAALO c1c(CSc2nnc3sc4ccccc4n23)[nH+]c2ccccn12 ZINC000014092656 563739380 /nfs/dbraw/zinc/73/93/80/563739380.db2.gz IUTRSJKHDYLYAO-UHFFFAOYSA-N 1 2 337.433 3.884 50 0 EHAALO C[C@@H](c1nnc(COc2ccccc2F)o1)[N@H+](C)Cc1ccccc1 ZINC000521393814 563813494 /nfs/dbraw/zinc/81/34/94/563813494.db2.gz PNDMGPOYAXVOCT-AWEZNQCLSA-N 1 2 341.386 3.981 50 0 EHAALO C[C@@H](c1nnc(COc2ccccc2F)o1)[N@@H+](C)Cc1ccccc1 ZINC000521393814 563813498 /nfs/dbraw/zinc/81/34/98/563813498.db2.gz PNDMGPOYAXVOCT-AWEZNQCLSA-N 1 2 341.386 3.981 50 0 EHAALO COc1cc2c(cc1OC)C[N@H+](Cc1nc3ccccc3s1)CC2 ZINC000024061038 563869020 /nfs/dbraw/zinc/86/90/20/563869020.db2.gz CVAWQZRDTZMOJM-UHFFFAOYSA-N 1 2 340.448 3.872 50 0 EHAALO COc1cc2c(cc1OC)C[N@@H+](Cc1nc3ccccc3s1)CC2 ZINC000024061038 563869023 /nfs/dbraw/zinc/86/90/23/563869023.db2.gz CVAWQZRDTZMOJM-UHFFFAOYSA-N 1 2 340.448 3.872 50 0 EHAALO NC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000026220442 563890437 /nfs/dbraw/zinc/89/04/37/563890437.db2.gz YPNIZHFLOFVGLC-SFHVURJKSA-N 1 2 340.810 3.916 50 0 EHAALO CC(=O)c1ccc(NC(=O)[C@H](C)Sc2[nH+]cc3ccccn32)cc1 ZINC000026371057 563891033 /nfs/dbraw/zinc/89/10/33/563891033.db2.gz ITJMLIYWUQBSMB-ZDUSSCGKSA-N 1 2 339.420 3.656 50 0 EHAALO COc1cccc([C@@H]([NH2+]Cc2ccc(C)s2)c2nccn2C)c1 ZINC000030648113 563910189 /nfs/dbraw/zinc/91/01/89/563910189.db2.gz ILYMAQMRZQXCNV-QGZVFWFLSA-N 1 2 327.453 3.678 50 0 EHAALO CCOC(=O)C[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000033732080 563916467 /nfs/dbraw/zinc/91/64/67/563916467.db2.gz HRWUEUOAAKJSEV-LQWHRVPQSA-N 1 2 337.419 3.601 50 0 EHAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)c1cc(F)cc(Cl)c1 ZINC000043210860 563925440 /nfs/dbraw/zinc/92/54/40/563925440.db2.gz CFALCUDCYPOPDH-UHFFFAOYSA-N 1 2 333.790 3.542 50 0 EHAALO CCc1cccc(NC(=O)NCc2ccc[nH+]c2N2CCCCC2)c1 ZINC000058053565 563937085 /nfs/dbraw/zinc/93/70/85/563937085.db2.gz WBGWIYDYINBIEA-UHFFFAOYSA-N 1 2 338.455 3.956 50 0 EHAALO CC[N@@H+](Cc1ccccc1)Cn1nc(-c2ccc(C)s2)ccc1=O ZINC000058267587 563941276 /nfs/dbraw/zinc/94/12/76/563941276.db2.gz JMNKYJGIZPBZJG-UHFFFAOYSA-N 1 2 339.464 3.760 50 0 EHAALO CC[N@H+](Cc1ccccc1)Cn1nc(-c2ccc(C)s2)ccc1=O ZINC000058267587 563941278 /nfs/dbraw/zinc/94/12/78/563941278.db2.gz JMNKYJGIZPBZJG-UHFFFAOYSA-N 1 2 339.464 3.760 50 0 EHAALO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)N1CCc2ccccc21 ZINC000059389725 563948857 /nfs/dbraw/zinc/94/88/57/563948857.db2.gz FKHHUENTWABBIN-AWEZNQCLSA-N 1 2 328.843 3.922 50 0 EHAALO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N1CCc2ccccc21 ZINC000059389725 563948858 /nfs/dbraw/zinc/94/88/58/563948858.db2.gz FKHHUENTWABBIN-AWEZNQCLSA-N 1 2 328.843 3.922 50 0 EHAALO O=C(c1ccc(-c2ccccc2Cl)o1)N1CC[C@@H](n2cc[nH+]c2)C1 ZINC000065460664 563961120 /nfs/dbraw/zinc/96/11/20/563961120.db2.gz BUTZXIMHVWPNNY-CYBMUJFWSA-N 1 2 341.798 3.884 50 0 EHAALO Cc1cc(C(F)(F)F)nc(CCn2cc[nH+]c2-c2ccsc2)n1 ZINC000071415597 563964352 /nfs/dbraw/zinc/96/43/52/563964352.db2.gz PRUUEZXGCBJOIP-UHFFFAOYSA-N 1 2 338.358 3.972 50 0 EHAALO Cc1nnc(C[N@H+](Cc2ccccc2)[C@@H]2CC(C)(C)OC2(C)C)o1 ZINC000097046073 563966958 /nfs/dbraw/zinc/96/69/58/563966958.db2.gz AIOSAUNWLOASOY-MRXNPFEDSA-N 1 2 329.444 3.726 50 0 EHAALO Cc1nnc(C[N@@H+](Cc2ccccc2)[C@@H]2CC(C)(C)OC2(C)C)o1 ZINC000097046073 563966959 /nfs/dbraw/zinc/96/69/59/563966959.db2.gz AIOSAUNWLOASOY-MRXNPFEDSA-N 1 2 329.444 3.726 50 0 EHAALO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1nnnn1C(C)C ZINC000097000418 563970943 /nfs/dbraw/zinc/97/09/43/563970943.db2.gz BQAHOVUYSMGKAW-GFCCVEGCSA-N 1 2 342.472 3.537 50 0 EHAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2cc(C(C)C)on2)CC1 ZINC000091305897 563975269 /nfs/dbraw/zinc/97/52/69/563975269.db2.gz DPDHKNLFSCAZPE-UHFFFAOYSA-N 1 2 344.459 3.814 50 0 EHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000018036823 564017765 /nfs/dbraw/zinc/01/77/65/564017765.db2.gz SZNJIQLXMKLFCU-GASCZTMLSA-N 1 2 335.455 3.915 50 0 EHAALO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)Nc1c(F)cccc1F ZINC000007788324 564034490 /nfs/dbraw/zinc/03/44/90/564034490.db2.gz PTSPMJSZBLPSKP-UHFFFAOYSA-N 1 2 334.341 3.707 50 0 EHAALO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)Nc1c(F)cccc1F ZINC000007788324 564034491 /nfs/dbraw/zinc/03/44/91/564034491.db2.gz PTSPMJSZBLPSKP-UHFFFAOYSA-N 1 2 334.341 3.707 50 0 EHAALO O=C(CCc1[nH]cc[nH+]1)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000240423792 564051760 /nfs/dbraw/zinc/05/17/60/564051760.db2.gz FQVYYGAFMWYCRY-UHFFFAOYSA-N 1 2 339.826 3.979 50 0 EHAALO CCCOc1ccc(C(=O)N[C@@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000012547524 564058979 /nfs/dbraw/zinc/05/89/79/564058979.db2.gz BJZXJBHUELDXRQ-IBGZPJMESA-N 1 2 349.434 3.912 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000012550776 564059156 /nfs/dbraw/zinc/05/91/56/564059156.db2.gz HJBIZIVJRCCZCC-INIZCTEOSA-N 1 2 325.799 3.593 50 0 EHAALO CCCCCCOc1ccc(Cl)cc1C(=O)N1CC[NH+](C)CC1 ZINC000043190868 564076157 /nfs/dbraw/zinc/07/61/57/564076157.db2.gz DQZHJQWTENFYGX-UHFFFAOYSA-N 1 2 338.879 3.687 50 0 EHAALO CC(C)Sc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000015880151 564077384 /nfs/dbraw/zinc/07/73/84/564077384.db2.gz DSADCKWWYBAPRZ-UHFFFAOYSA-N 1 2 347.509 3.884 50 0 EHAALO CC(C)Sc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000015880151 564077385 /nfs/dbraw/zinc/07/73/85/564077385.db2.gz DSADCKWWYBAPRZ-UHFFFAOYSA-N 1 2 347.509 3.884 50 0 EHAALO CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccccn1 ZINC000075109344 564080274 /nfs/dbraw/zinc/08/02/74/564080274.db2.gz GTISRKGRSMLYDU-UHFFFAOYSA-N 1 2 328.803 3.807 50 0 EHAALO CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccccn1 ZINC000075109344 564080275 /nfs/dbraw/zinc/08/02/75/564080275.db2.gz GTISRKGRSMLYDU-UHFFFAOYSA-N 1 2 328.803 3.807 50 0 EHAALO CCN(C(=O)[C@H](C)Sc1[nH+]cc2ccccn21)c1ccccc1 ZINC000026372428 564082070 /nfs/dbraw/zinc/08/20/70/564082070.db2.gz WQTUXBUJCSEXGC-AWEZNQCLSA-N 1 2 325.437 3.868 50 0 EHAALO C[N@H+](Cc1nccn1C(F)F)Cc1cccc(OC(F)(F)F)c1 ZINC000089361202 564089806 /nfs/dbraw/zinc/08/98/06/564089806.db2.gz NYPLRYSIWYWAAG-UHFFFAOYSA-N 1 2 335.276 3.809 50 0 EHAALO C[N@@H+](Cc1nccn1C(F)F)Cc1cccc(OC(F)(F)F)c1 ZINC000089361202 564089807 /nfs/dbraw/zinc/08/98/07/564089807.db2.gz NYPLRYSIWYWAAG-UHFFFAOYSA-N 1 2 335.276 3.809 50 0 EHAALO COc1cc(N[NH+]=C(C)c2ccc(N)cc2)nc(-c2ccccc2)n1 ZINC000252611364 564090717 /nfs/dbraw/zinc/09/07/17/564090717.db2.gz IJEGQNJDNKLMFC-UHFFFAOYSA-N 1 2 333.395 3.571 50 0 EHAALO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065281487 564104059 /nfs/dbraw/zinc/10/40/59/564104059.db2.gz HZWPLCHGNFQFCC-AWEZNQCLSA-N 1 2 347.890 3.893 50 0 EHAALO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065281487 564104060 /nfs/dbraw/zinc/10/40/60/564104060.db2.gz HZWPLCHGNFQFCC-AWEZNQCLSA-N 1 2 347.890 3.893 50 0 EHAALO Fc1ccccc1C[N@@H+]1CCCC[C@H]1c1nc(-c2cccnc2)no1 ZINC000065286088 564104419 /nfs/dbraw/zinc/10/44/19/564104419.db2.gz LCWADKSLFKPSCK-KRWDZBQOSA-N 1 2 338.386 3.998 50 0 EHAALO Fc1ccccc1C[N@H+]1CCCC[C@H]1c1nc(-c2cccnc2)no1 ZINC000065286088 564104420 /nfs/dbraw/zinc/10/44/20/564104420.db2.gz LCWADKSLFKPSCK-KRWDZBQOSA-N 1 2 338.386 3.998 50 0 EHAALO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000007486636 564108859 /nfs/dbraw/zinc/10/88/59/564108859.db2.gz QPGRSJFAGXSNLN-MRXNPFEDSA-N 1 2 336.435 3.731 50 0 EHAALO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000007486636 564108860 /nfs/dbraw/zinc/10/88/60/564108860.db2.gz QPGRSJFAGXSNLN-MRXNPFEDSA-N 1 2 336.435 3.731 50 0 EHAALO Cc1nc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)oc1C ZINC000071824667 564111293 /nfs/dbraw/zinc/11/12/93/564111293.db2.gz WBIBYZCGHOVHOF-INIZCTEOSA-N 1 2 328.412 3.790 50 0 EHAALO Cc1nc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)oc1C ZINC000071824667 564111294 /nfs/dbraw/zinc/11/12/94/564111294.db2.gz WBIBYZCGHOVHOF-INIZCTEOSA-N 1 2 328.412 3.790 50 0 EHAALO Cc1ccc(C)c(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000013325021 564111522 /nfs/dbraw/zinc/11/15/22/564111522.db2.gz DIZJPRIOQHKJJL-UHFFFAOYSA-N 1 2 339.439 3.780 50 0 EHAALO CC[C@](C)(NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1nccs1 ZINC000076018909 564114523 /nfs/dbraw/zinc/11/45/23/564114523.db2.gz CAASMRHLDVZKPN-INIZCTEOSA-N 1 2 329.429 3.546 50 0 EHAALO COc1ccccc1CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000007725383 564122277 /nfs/dbraw/zinc/12/22/77/564122277.db2.gz QBLYBLHBPNBMMT-UHFFFAOYSA-N 1 2 349.434 3.953 50 0 EHAALO Cc1[nH+]c2cc(NC(=O)c3cnn(C4CCCC4)c3C)ccc2n1C ZINC000095978915 564143660 /nfs/dbraw/zinc/14/36/60/564143660.db2.gz ATJXLQUDIMLMAE-UHFFFAOYSA-N 1 2 337.427 3.754 50 0 EHAALO O=C(/C=C\c1ccsc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000096311222 564146713 /nfs/dbraw/zinc/14/67/13/564146713.db2.gz FZGVGLMJFXXFBP-WAYWQWQTSA-N 1 2 339.420 3.676 50 0 EHAALO CC(C)(C)c1nc(C[NH2+][C@@H](Cn2cncn2)c2ccccc2)cs1 ZINC000096403860 564147195 /nfs/dbraw/zinc/14/71/95/564147195.db2.gz QAGUKZGDDULYJB-INIZCTEOSA-N 1 2 341.484 3.563 50 0 EHAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N(C1CC1)C1CCCC1 ZINC000096446079 564148231 /nfs/dbraw/zinc/14/82/31/564148231.db2.gz QPHIMGDSRVITKZ-UHFFFAOYSA-N 1 2 338.455 3.548 50 0 EHAALO Cc1cccn2cc(C[S@](=O)[C@@H](C)c3c(F)cccc3F)[nH+]c12 ZINC000096459961 564148315 /nfs/dbraw/zinc/14/83/15/564148315.db2.gz RMHYXFSXCXBEBT-DAOPMYJZSA-N 1 2 334.391 3.931 50 0 EHAALO O=C(N[C@H]1CCc2[nH+]ccn2C1)c1ccc(-c2ccccc2Cl)o1 ZINC000097197389 564149529 /nfs/dbraw/zinc/14/95/29/564149529.db2.gz SSUYWYCBONIYMW-LBPRGKRZSA-N 1 2 341.798 3.541 50 0 EHAALO Cc1ccc([C@H]2CCC[N@@H+]2Cn2nc(C(C)(C)C)ccc2=O)cc1 ZINC000066792355 564164111 /nfs/dbraw/zinc/16/41/11/564164111.db2.gz DRNINDXJNISGAS-QGZVFWFLSA-N 1 2 325.456 3.644 50 0 EHAALO Cc1ccc([C@H]2CCC[N@H+]2Cn2nc(C(C)(C)C)ccc2=O)cc1 ZINC000066792355 564164112 /nfs/dbraw/zinc/16/41/12/564164112.db2.gz DRNINDXJNISGAS-QGZVFWFLSA-N 1 2 325.456 3.644 50 0 EHAALO CCCCc1[nH+]c2ccccc2n1CC(=O)N1CCc2ccccc2C1 ZINC000008628208 564166133 /nfs/dbraw/zinc/16/61/33/564166133.db2.gz GFFZALFDXBAJMD-UHFFFAOYSA-N 1 2 347.462 3.964 50 0 EHAALO CC(C)c1[nH+]c2c(n1C)CCN(Cc1ccc(F)c3cccnc13)C2 ZINC000069491515 564169904 /nfs/dbraw/zinc/16/99/04/564169904.db2.gz OPBZJGPDFCTRER-UHFFFAOYSA-N 1 2 338.430 3.789 50 0 EHAALO O=C(c1ccnc(Oc2ccccc2)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069660215 564171310 /nfs/dbraw/zinc/17/13/10/564171310.db2.gz WNGXZHXPIMMPKM-QGZVFWFLSA-N 1 2 348.406 3.548 50 0 EHAALO CCc1nnc([C@H](C)N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)o1 ZINC000069664341 564171383 /nfs/dbraw/zinc/17/13/83/564171383.db2.gz PMIAIBNJZQABER-KBPBESRZSA-N 1 2 348.878 3.725 50 0 EHAALO Cc1oc(-c2ccco2)nc1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000069738421 564171835 /nfs/dbraw/zinc/17/18/35/564171835.db2.gz QZULEZSKSOSTNL-UHFFFAOYSA-N 1 2 340.427 3.658 50 0 EHAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2csc(Cc3ccccc3)n2)cn1 ZINC000069840765 564172429 /nfs/dbraw/zinc/17/24/29/564172429.db2.gz GMZGCAVIUNJJOV-GOSISDBHSA-N 1 2 338.480 3.805 50 0 EHAALO Cn1cc([C@H]2CCC[N@H+]2Cc2csc(Cc3ccccc3)n2)cn1 ZINC000069840765 564172430 /nfs/dbraw/zinc/17/24/30/564172430.db2.gz GMZGCAVIUNJJOV-GOSISDBHSA-N 1 2 338.480 3.805 50 0 EHAALO CC(C)Cc1nnc([C@@H](C)[NH+]2CCC([C@H](O)c3ccccc3)CC2)o1 ZINC000069968012 564172903 /nfs/dbraw/zinc/17/29/03/564172903.db2.gz UKFIPLBPUQSCOT-DNVCBOLYSA-N 1 2 343.471 3.775 50 0 EHAALO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000069979817 564173103 /nfs/dbraw/zinc/17/31/03/564173103.db2.gz CEBWCOCLLIEMPY-MRXNPFEDSA-N 1 2 340.345 3.539 50 0 EHAALO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000069979817 564173104 /nfs/dbraw/zinc/17/31/04/564173104.db2.gz CEBWCOCLLIEMPY-MRXNPFEDSA-N 1 2 340.345 3.539 50 0 EHAALO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1)c1nccn1C ZINC000182489608 1125318629 /nfs/dbraw/zinc/31/86/29/1125318629.db2.gz DILUMTSKNWDRRS-ZDUSSCGKSA-N 1 2 326.375 3.597 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000581806212 1132367751 /nfs/dbraw/zinc/36/77/51/1132367751.db2.gz MXHHWOZMBCRXFK-IBGZPJMESA-N 1 2 346.434 3.731 50 0 EHAALO COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1C ZINC000050447994 214057290 /nfs/dbraw/zinc/05/72/90/214057290.db2.gz MERMRANSOAKBKF-OLZOCXBDSA-N 1 2 344.377 3.692 50 0 EHAALO O=c1nc(C[N@H+](Cc2ccco2)C2CCCC2)[nH]c2ccsc21 ZINC000053140093 214166135 /nfs/dbraw/zinc/16/61/35/214166135.db2.gz JQFITKQMJCXZSS-UHFFFAOYSA-N 1 2 329.425 3.935 50 0 EHAALO O=c1nc(C[N@@H+](Cc2ccco2)C2CCCC2)[nH]c2ccsc21 ZINC000053140093 214166138 /nfs/dbraw/zinc/16/61/38/214166138.db2.gz JQFITKQMJCXZSS-UHFFFAOYSA-N 1 2 329.425 3.935 50 0 EHAALO CC[NH+]1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000055301193 214303815 /nfs/dbraw/zinc/30/38/15/214303815.db2.gz YAUGLKRLUZIXQR-UHFFFAOYSA-N 1 2 343.279 3.986 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCOC(=O)/C=C\c1nc2ccccc2o1 ZINC000056220531 214365517 /nfs/dbraw/zinc/36/55/17/214365517.db2.gz FFJGLJYXDJUWKD-KHPPLWFESA-N 1 2 347.374 3.743 50 0 EHAALO Cn1c(-c2ccc3c(c2)OCO3)cn2cc(-c3ccc(F)cc3)[nH+]c21 ZINC000004678686 210244295 /nfs/dbraw/zinc/24/42/95/210244295.db2.gz KNNNVVUPZUERQL-UHFFFAOYSA-N 1 2 335.338 3.875 50 0 EHAALO Cc1ccccc1N1CC[NH+](CC(=O)c2cc(C)c(C)cc2C)CC1 ZINC000067206464 215123540 /nfs/dbraw/zinc/12/35/40/215123540.db2.gz XOADVSKSDKHWFB-UHFFFAOYSA-N 1 2 336.479 3.925 50 0 EHAALO COc1cc2c(cc1-c1[nH+]ccn1CCn1nc(C)cc1C)CCC2 ZINC000067539905 215158265 /nfs/dbraw/zinc/15/82/65/215158265.db2.gz LDOLQADZBWHEOL-UHFFFAOYSA-N 1 2 336.439 3.561 50 0 EHAALO COc1ccc(Oc2ccccc2C[NH+]2CCN(C)CC2)cc1C ZINC000067692482 215186986 /nfs/dbraw/zinc/18/69/86/215186986.db2.gz KDXFJHUXFHSYES-UHFFFAOYSA-N 1 2 326.440 3.543 50 0 EHAALO C/C(=C\C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1Cl ZINC000103866997 219327012 /nfs/dbraw/zinc/32/70/12/219327012.db2.gz WMGYXLOZXXDCLG-WYMLVPIESA-N 1 2 329.831 3.804 50 0 EHAALO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000072366077 216171561 /nfs/dbraw/zinc/17/15/61/216171561.db2.gz OFLVGTQESIIGGB-CYBMUJFWSA-N 1 2 330.350 3.587 50 0 EHAALO CC(C)[N@@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)Cc1nccn1C ZINC000072435840 216231037 /nfs/dbraw/zinc/23/10/37/216231037.db2.gz LDYPEGNDDLZMPI-UHFFFAOYSA-N 1 2 349.438 3.967 50 0 EHAALO CC(C)[N@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)Cc1nccn1C ZINC000072435840 216231038 /nfs/dbraw/zinc/23/10/38/216231038.db2.gz LDYPEGNDDLZMPI-UHFFFAOYSA-N 1 2 349.438 3.967 50 0 EHAALO CC(C)[C@H](Nc1cc(-c2ccccc2)nc2ccnn21)c1[nH+]ccn1C ZINC000072479010 216257955 /nfs/dbraw/zinc/25/79/55/216257955.db2.gz FAYWRVMRBOSLCX-IBGZPJMESA-N 1 2 346.438 3.939 50 0 EHAALO c1csc(N2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)n1 ZINC000073276501 216372775 /nfs/dbraw/zinc/37/27/75/216372775.db2.gz VBFSPQCOBASNBG-UHFFFAOYSA-N 1 2 342.493 3.589 50 0 EHAALO c1cc(OCc2noc(C3CC3)n2)ccc1[NH2+]C1CCSCC1 ZINC000132311203 223318995 /nfs/dbraw/zinc/31/89/95/223318995.db2.gz WWZTZXBTPTVFCM-UHFFFAOYSA-N 1 2 331.441 3.834 50 0 EHAALO N=C1N(Cc2ccccc2)c2ccccc2[N@@H+]1CC(=O)c1ccccc1 ZINC000023634391 212385783 /nfs/dbraw/zinc/38/57/83/212385783.db2.gz QKCMSJUSFMQZHE-UHFFFAOYSA-N 1 2 341.414 3.853 50 0 EHAALO N=C1N(Cc2ccccc2)c2ccccc2[N@H+]1CC(=O)c1ccccc1 ZINC000023634391 212385785 /nfs/dbraw/zinc/38/57/85/212385785.db2.gz QKCMSJUSFMQZHE-UHFFFAOYSA-N 1 2 341.414 3.853 50 0 EHAALO CC(C)[C@@H](NC(=O)C[N@H+](C)Cc1ccc(F)cc1F)c1ccccc1 ZINC000022965157 212339533 /nfs/dbraw/zinc/33/95/33/212339533.db2.gz HBIDHTFPMDCBKG-HXUWFJFHSA-N 1 2 346.421 3.910 50 0 EHAALO CC(C)[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(F)cc1F)c1ccccc1 ZINC000022965157 212339539 /nfs/dbraw/zinc/33/95/39/212339539.db2.gz HBIDHTFPMDCBKG-HXUWFJFHSA-N 1 2 346.421 3.910 50 0 EHAALO Cc1noc(C)c1CC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000193187003 240054400 /nfs/dbraw/zinc/05/44/00/240054400.db2.gz PKTBCGOXFMYHBH-UHFFFAOYSA-N 1 2 337.379 3.968 50 0 EHAALO Cn1c[nH+]cc1CCC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000193379341 240138536 /nfs/dbraw/zinc/13/85/36/240138536.db2.gz VZSXGBTVLAQBHK-OAQYLSRUSA-N 1 2 345.446 3.679 50 0 EHAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2cnc(NCc3ccccc3)nc2)on1 ZINC000215084497 241104536 /nfs/dbraw/zinc/10/45/36/241104536.db2.gz AGKOTXZNINBONN-GOSISDBHSA-N 1 2 349.438 3.722 50 0 EHAALO Cc1cc([C@H]2CCC[N@H+]2Cc2cnc(NCc3ccccc3)nc2)on1 ZINC000215084497 241104543 /nfs/dbraw/zinc/10/45/43/241104543.db2.gz AGKOTXZNINBONN-GOSISDBHSA-N 1 2 349.438 3.722 50 0 EHAALO CCSc1ncc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cn1 ZINC000215854922 241149670 /nfs/dbraw/zinc/14/96/70/241149670.db2.gz APFLAWYEADVJDO-UHFFFAOYSA-N 1 2 347.459 3.771 50 0 EHAALO CC(C)c1cc(C[NH+]2CCN(c3nsc4ccccc43)CC2)on1 ZINC000215668675 241138043 /nfs/dbraw/zinc/13/80/43/241138043.db2.gz JVWBSLYFTBSPPJ-UHFFFAOYSA-N 1 2 342.468 3.730 50 0 EHAALO COc1ccc(CN(CC2CCC2)c2cc[nH+]c(C)n2)c(OC)c1 ZINC000225751533 242018704 /nfs/dbraw/zinc/01/87/04/242018704.db2.gz XJXBQNLMMCYJID-UHFFFAOYSA-N 1 2 327.428 3.609 50 0 EHAALO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021719780 212244641 /nfs/dbraw/zinc/24/46/41/212244641.db2.gz PKGOPZGJZXWTML-KRWDZBQOSA-N 1 2 328.412 3.922 50 0 EHAALO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021719780 212244644 /nfs/dbraw/zinc/24/46/44/212244644.db2.gz PKGOPZGJZXWTML-KRWDZBQOSA-N 1 2 328.412 3.922 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CSc1ccccc1 ZINC000242389554 243020562 /nfs/dbraw/zinc/02/05/62/243020562.db2.gz ZYGLZOJNMCMRHT-MRXNPFEDSA-N 1 2 329.469 3.749 50 0 EHAALO CC[C@@H](c1ccccn1)[N@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000244691031 243057076 /nfs/dbraw/zinc/05/70/76/243057076.db2.gz JBKBEHWMLDMTCE-INIZCTEOSA-N 1 2 326.375 3.854 50 0 EHAALO CC[C@@H](c1ccccn1)[N@@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000244691031 243057081 /nfs/dbraw/zinc/05/70/81/243057081.db2.gz JBKBEHWMLDMTCE-INIZCTEOSA-N 1 2 326.375 3.854 50 0 EHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCCCOC(C)C)cc1C ZINC000020661946 212160246 /nfs/dbraw/zinc/16/02/46/212160246.db2.gz BSJOZPNWRXZGBL-UHFFFAOYSA-N 1 2 339.443 3.659 50 0 EHAALO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1SCCS1 ZINC000253416300 243936000 /nfs/dbraw/zinc/93/60/00/243936000.db2.gz YCLJMHUKNBPCCA-UHFFFAOYSA-N 1 2 345.493 3.631 50 0 EHAALO CSc1nc2sc3c(c2c(NCCC(C)C)n1)CC[N@H+](C)C3 ZINC000020391529 212125022 /nfs/dbraw/zinc/12/50/22/212125022.db2.gz DPVASCNEDLDKHX-UHFFFAOYSA-N 1 2 336.530 3.859 50 0 EHAALO CSc1nc2sc3c(c2c(NCCC(C)C)n1)CC[N@@H+](C)C3 ZINC000020391529 212125026 /nfs/dbraw/zinc/12/50/26/212125026.db2.gz DPVASCNEDLDKHX-UHFFFAOYSA-N 1 2 336.530 3.859 50 0 EHAALO CCn1cc[nH+]c1Cn1ccc(-c2cccc(-c3nccs3)c2)n1 ZINC000019225032 212006968 /nfs/dbraw/zinc/00/69/68/212006968.db2.gz LRUAYGDDUXPGRX-UHFFFAOYSA-N 1 2 335.436 3.938 50 0 EHAALO COc1cccc2c1CCCCN2Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000089471555 217801599 /nfs/dbraw/zinc/80/15/99/217801599.db2.gz RQLYDHRDFCYHFL-UHFFFAOYSA-N 1 2 334.423 3.619 50 0 EHAALO Cc1c[nH]c(CN2CC(c3ccccc3)(c3ccccc3)CCC2=O)[nH+]1 ZINC000091433838 218005212 /nfs/dbraw/zinc/00/52/12/218005212.db2.gz JTFOVUICSDPBTO-UHFFFAOYSA-N 1 2 345.446 3.827 50 0 EHAALO Cn1ncc2c1nc[nH+]c2SCc1csc(-c2cccs2)n1 ZINC000011683524 211234019 /nfs/dbraw/zinc/23/40/19/211234019.db2.gz RWAFYPOWWFBSBM-UHFFFAOYSA-N 1 2 345.478 3.841 50 0 EHAALO C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)NCc3[nH]cc[nH+]3)c2)C1 ZINC000092030681 218107080 /nfs/dbraw/zinc/10/70/80/218107080.db2.gz FSOSIRQFYGRNJP-WMLDXEAASA-N 1 2 342.443 3.827 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2cccn2C)c1C ZINC000009546667 211101501 /nfs/dbraw/zinc/10/15/01/211101501.db2.gz WCFKXMADLVLUML-RHSMWYFYSA-N 1 2 341.455 3.581 50 0 EHAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2cccn2C)c1C ZINC000009546667 211101506 /nfs/dbraw/zinc/10/15/06/211101506.db2.gz WCFKXMADLVLUML-RHSMWYFYSA-N 1 2 341.455 3.581 50 0 EHAALO C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009516199 211096988 /nfs/dbraw/zinc/09/69/88/211096988.db2.gz UNWIFBBGZHSPMQ-CQSZACIVSA-N 1 2 330.391 3.845 50 0 EHAALO CC(C)[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1nc(C2CC2)no1 ZINC000095396769 218328652 /nfs/dbraw/zinc/32/86/52/218328652.db2.gz GJDDGFGFCIASML-INIZCTEOSA-N 1 2 343.427 3.595 50 0 EHAALO Cc1cc(NC(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)cc[nH+]1 ZINC000095400188 218333705 /nfs/dbraw/zinc/33/37/05/218333705.db2.gz IQRNGRSONDLWLX-UHFFFAOYSA-N 1 2 340.427 3.871 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCNc1nc(C)cc(C(F)(F)F)n1 ZINC000095469179 218406471 /nfs/dbraw/zinc/40/64/71/218406471.db2.gz JXDRAPXGLJCTPN-UHFFFAOYSA-N 1 2 335.333 3.574 50 0 EHAALO CCn1c(C)csc1=[NH+]c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000334157451 258004558 /nfs/dbraw/zinc/00/45/58/258004558.db2.gz KTLNWZQHGPTYBE-HUUCEWRRSA-N 1 2 331.485 3.724 50 0 EHAALO Cc1ccccc1Cn1c2ccccc2[nH+]c1NCc1ccnn1C ZINC000167835777 226200579 /nfs/dbraw/zinc/20/05/79/226200579.db2.gz VTJSOUAYGNZDLB-UHFFFAOYSA-N 1 2 331.423 3.739 50 0 EHAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2ncsc2c1 ZINC000096164492 262535403 /nfs/dbraw/zinc/53/54/03/262535403.db2.gz RPRWCWFCHZAJPC-OAHLLOKOSA-N 1 2 343.456 3.729 50 0 EHAALO CCCNc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cn1 ZINC000216336065 535206008 /nfs/dbraw/zinc/20/60/08/535206008.db2.gz ULHJDKMNQCNOMN-MRXNPFEDSA-N 1 2 329.448 3.747 50 0 EHAALO CCCNc1ncc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cn1 ZINC000216336065 535206013 /nfs/dbraw/zinc/20/60/13/535206013.db2.gz ULHJDKMNQCNOMN-MRXNPFEDSA-N 1 2 329.448 3.747 50 0 EHAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000146498 563244523 /nfs/dbraw/zinc/24/45/23/563244523.db2.gz MXSGYWQYRMCCTM-UHFFFAOYSA-N 1 2 338.860 3.987 50 0 EHAALO CC1CCN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)CC1 ZINC000000463584 563327859 /nfs/dbraw/zinc/32/78/59/563327859.db2.gz RNPUBDXDHRUJSD-UHFFFAOYSA-N 1 2 327.819 3.705 50 0 EHAALO Cc1ccc(Cn2ncc3c2nc[nH+]c3N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000000521830 563340708 /nfs/dbraw/zinc/34/07/08/563340708.db2.gz KQUHRRWPAODPTP-HZPDHXFCSA-N 1 2 335.455 3.665 50 0 EHAALO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1ccc2c(c1)CCCC2 ZINC000012790754 563671596 /nfs/dbraw/zinc/67/15/96/563671596.db2.gz YDKGPHPGEXITMM-OAHLLOKOSA-N 1 2 346.434 3.637 50 0 EHAALO C[N@H+](Cc1cccc(Cl)c1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012817751 563674825 /nfs/dbraw/zinc/67/48/25/563674825.db2.gz WSVMHGCJTRLBQW-GOSISDBHSA-N 1 2 346.833 3.931 50 0 EHAALO C[N@@H+](Cc1cccc(Cl)c1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012817751 563674826 /nfs/dbraw/zinc/67/48/26/563674826.db2.gz WSVMHGCJTRLBQW-GOSISDBHSA-N 1 2 346.833 3.931 50 0 EHAALO C[N@@H+](Cc1ccccc1Cl)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000012993604 563683013 /nfs/dbraw/zinc/68/30/13/563683013.db2.gz DDMRAYQHURCKKB-UHFFFAOYSA-N 1 2 337.206 3.991 50 0 EHAALO C[N@H+](Cc1ccccc1Cl)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000012993604 563683014 /nfs/dbraw/zinc/68/30/14/563683014.db2.gz DDMRAYQHURCKKB-UHFFFAOYSA-N 1 2 337.206 3.991 50 0 EHAALO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000014116658 563742425 /nfs/dbraw/zinc/74/24/25/563742425.db2.gz LAQAOBPGWLNICZ-AWEZNQCLSA-N 1 2 330.403 3.602 50 0 EHAALO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000014116658 563742429 /nfs/dbraw/zinc/74/24/29/563742429.db2.gz LAQAOBPGWLNICZ-AWEZNQCLSA-N 1 2 330.403 3.602 50 0 EHAALO C[C@@H]([NH2+]Cc1nc(=O)c2sccc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000014244695 563754777 /nfs/dbraw/zinc/75/47/77/563754777.db2.gz ZLZPHCNCALVIDD-GFCCVEGCSA-N 1 2 339.464 3.714 50 0 EHAALO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc(OC)c1O ZINC000015866893 563797804 /nfs/dbraw/zinc/79/78/04/563797804.db2.gz NJSXTTRHEVOKFU-OAHLLOKOSA-N 1 2 346.427 3.858 50 0 EHAALO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc(OC)c1O ZINC000015866893 563797806 /nfs/dbraw/zinc/79/78/06/563797806.db2.gz NJSXTTRHEVOKFU-OAHLLOKOSA-N 1 2 346.427 3.858 50 0 EHAALO Cc1ccc(NC(=S)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000024600883 563873241 /nfs/dbraw/zinc/87/32/41/563873241.db2.gz XYDCUIITOUCVGJ-UHFFFAOYSA-N 1 2 331.510 3.571 50 0 EHAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1cc(Cl)sc1Cl ZINC000024902625 563877391 /nfs/dbraw/zinc/87/73/91/563877391.db2.gz OVRLYOFMYKOGRW-UHFFFAOYSA-N 1 2 339.207 3.888 50 0 EHAALO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2n1C ZINC000072253637 563889231 /nfs/dbraw/zinc/88/92/31/563889231.db2.gz QHCKOPFMOGDEPP-HNNXBMFYSA-N 1 2 343.862 3.606 50 0 EHAALO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1nc2ccccc2n1C ZINC000072253637 563889232 /nfs/dbraw/zinc/88/92/32/563889232.db2.gz QHCKOPFMOGDEPP-HNNXBMFYSA-N 1 2 343.862 3.606 50 0 EHAALO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccco1 ZINC000030276497 563909704 /nfs/dbraw/zinc/90/97/04/563909704.db2.gz TULQLOYWNKQTPI-NSHDSACASA-N 1 2 326.318 3.757 50 0 EHAALO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccco1 ZINC000030276497 563909706 /nfs/dbraw/zinc/90/97/06/563909706.db2.gz TULQLOYWNKQTPI-NSHDSACASA-N 1 2 326.318 3.757 50 0 EHAALO O=C(C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccco2)o1)c1cccs1 ZINC000177400610 563916136 /nfs/dbraw/zinc/91/61/36/563916136.db2.gz NIRSMMOUSYPGET-LBPRGKRZSA-N 1 2 343.408 3.629 50 0 EHAALO O=C(C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccco2)o1)c1cccs1 ZINC000177400610 563916137 /nfs/dbraw/zinc/91/61/37/563916137.db2.gz NIRSMMOUSYPGET-LBPRGKRZSA-N 1 2 343.408 3.629 50 0 EHAALO CCOc1cc(/C=C2\[C@@H](O)C3CC[NH+]2CC3)cc(Cl)c1OCC ZINC000004870189 563919035 /nfs/dbraw/zinc/91/90/35/563919035.db2.gz HDBLETFAKODFPF-OBHPCNEJSA-N 1 2 337.847 3.565 50 0 EHAALO Cc1cc2nc(NCCCCNc3cccc[nH+]3)c3ccccc3n2n1 ZINC000058245354 563940664 /nfs/dbraw/zinc/94/06/64/563940664.db2.gz CUXVRQSEVIDSCB-UHFFFAOYSA-N 1 2 346.438 3.890 50 0 EHAALO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCCOc2ccccc2)o1 ZINC000058433515 563946351 /nfs/dbraw/zinc/94/63/51/563946351.db2.gz BHMWXKSMUKFDRO-HXUWFJFHSA-N 1 2 349.434 3.947 50 0 EHAALO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCCOc2ccccc2)o1 ZINC000058433515 563946352 /nfs/dbraw/zinc/94/63/52/563946352.db2.gz BHMWXKSMUKFDRO-HXUWFJFHSA-N 1 2 349.434 3.947 50 0 EHAALO C[C@H](C(=O)N[C@H](Cc1ccccc1)c1cccs1)n1cc[nH+]c1 ZINC000096408542 563950286 /nfs/dbraw/zinc/95/02/86/563950286.db2.gz NNEXVQYQIIBKAB-GDBMZVCRSA-N 1 2 325.437 3.606 50 0 EHAALO C[C@H](NC(=O)[C@H](C)c1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432088 563952723 /nfs/dbraw/zinc/95/27/23/563952723.db2.gz MPGZRFMHFOILEY-KGLIPLIRSA-N 1 2 325.437 3.915 50 0 EHAALO CC[C@H](NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)c1ccncc1 ZINC000096434630 563953108 /nfs/dbraw/zinc/95/31/08/563953108.db2.gz QRYJJGCDQLRFFR-KRWDZBQOSA-N 1 2 335.411 3.755 50 0 EHAALO C[N@H+](Cc1nnc(-c2ccco2)o1)[C@H](c1ccccc1)c1ccccn1 ZINC000096443332 563953172 /nfs/dbraw/zinc/95/31/72/563953172.db2.gz MGSYAKGUPAMZKP-LJQANCHMSA-N 1 2 346.390 3.946 50 0 EHAALO C[N@@H+](Cc1nnc(-c2ccco2)o1)[C@H](c1ccccc1)c1ccccn1 ZINC000096443332 563953173 /nfs/dbraw/zinc/95/31/73/563953173.db2.gz MGSYAKGUPAMZKP-LJQANCHMSA-N 1 2 346.390 3.946 50 0 EHAALO CCOCc1ccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000096461746 563954140 /nfs/dbraw/zinc/95/41/40/563954140.db2.gz UONOEVQHGOIKLH-MRXNPFEDSA-N 1 2 328.416 3.705 50 0 EHAALO Cc1cnc([C@H]([NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)C2CC2)s1 ZINC000096478544 563955147 /nfs/dbraw/zinc/95/51/47/563955147.db2.gz MZCWPXBYIPTUGT-SUMWQHHRSA-N 1 2 339.468 3.834 50 0 EHAALO CC[C@@H](Oc1ccccc1)c1nn2c(C[NH+](CC)CC)nnc2s1 ZINC000065364411 563958256 /nfs/dbraw/zinc/95/82/56/563958256.db2.gz WHYUZULGNZSKAX-CQSZACIVSA-N 1 2 345.472 3.558 50 0 EHAALO C/C(=C\c1ccccc1)[C@@H]1CC(=O)NCc2[nH+]c3c(C)cccn3c21 ZINC000065375876 563958939 /nfs/dbraw/zinc/95/89/39/563958939.db2.gz JMGNZBPBXLMLFM-JMPLCFMRSA-N 1 2 331.419 3.850 50 0 EHAALO CC(C)c1nccc(-c2nccn2CCc2[nH+]c3ccccc3n2C)n1 ZINC000071753425 563965238 /nfs/dbraw/zinc/96/52/38/563965238.db2.gz QNNDTEXFBMSQPS-UHFFFAOYSA-N 1 2 346.438 3.593 50 0 EHAALO Cc1cnc(Cn2cc[nH+]c2-c2ccc(-c3ccccn3)cc2)cn1 ZINC000071754435 563965252 /nfs/dbraw/zinc/96/52/52/563965252.db2.gz AMQQWSIAHAKZJI-UHFFFAOYSA-N 1 2 327.391 3.759 50 0 EHAALO Cc1[nH]c2ccc(C(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)cc2c1C ZINC000077485578 563969933 /nfs/dbraw/zinc/96/99/33/563969933.db2.gz VKNFXLRWSJHKDB-MRXNPFEDSA-N 1 2 336.439 3.534 50 0 EHAALO Cc1nc([C@@H](C)N(C)C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)c(C)s1 ZINC000082138948 563972655 /nfs/dbraw/zinc/97/26/55/563972655.db2.gz YLENHZVEGCAAQP-LLVKDONJSA-N 1 2 340.452 3.983 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000095518829 563977362 /nfs/dbraw/zinc/97/73/62/563977362.db2.gz YLOLSCZPZPQDNS-SFHVURJKSA-N 1 2 325.456 3.632 50 0 EHAALO COc1ccc(-c2nc3c([nH]2)C[N@H+](Cc2cccc(OC)c2)CC3)cc1 ZINC000096139218 563979505 /nfs/dbraw/zinc/97/95/05/563979505.db2.gz AIIFONDJEZGXBC-UHFFFAOYSA-N 1 2 349.434 3.652 50 0 EHAALO COc1ccc(-c2nc3c([nH]2)C[N@@H+](Cc2cccc(OC)c2)CC3)cc1 ZINC000096139218 563979506 /nfs/dbraw/zinc/97/95/06/563979506.db2.gz AIIFONDJEZGXBC-UHFFFAOYSA-N 1 2 349.434 3.652 50 0 EHAALO Cc1[nH+]c2cc(OCC(=O)Nc3c(C)cc(C)cc3C)ccc2n1C ZINC000408524997 563993275 /nfs/dbraw/zinc/99/32/75/563993275.db2.gz FXVIVUHQMYVSNA-UHFFFAOYSA-N 1 2 337.423 3.824 50 0 EHAALO Cc1csc([C@@H]2C[N@H+](Cc3cc(F)cc4cccnc43)CCO2)n1 ZINC000065466650 563998240 /nfs/dbraw/zinc/99/82/40/563998240.db2.gz QSFYPFIRVUENMA-INIZCTEOSA-N 1 2 343.427 3.712 50 0 EHAALO Cc1csc([C@@H]2C[N@@H+](Cc3cc(F)cc4cccnc43)CCO2)n1 ZINC000065466650 563998241 /nfs/dbraw/zinc/99/82/41/563998241.db2.gz QSFYPFIRVUENMA-INIZCTEOSA-N 1 2 343.427 3.712 50 0 EHAALO C(=C/[C@H]1CCC[N@H+]1Cc1noc(C2CCOCC2)n1)\c1ccccc1 ZINC000253425714 563999193 /nfs/dbraw/zinc/99/91/93/563999193.db2.gz LPMUQOBVCPOJPJ-GFOMBABLSA-N 1 2 339.439 3.641 50 0 EHAALO C(=C/[C@H]1CCC[N@@H+]1Cc1noc(C2CCOCC2)n1)\c1ccccc1 ZINC000253425714 563999194 /nfs/dbraw/zinc/99/91/94/563999194.db2.gz LPMUQOBVCPOJPJ-GFOMBABLSA-N 1 2 339.439 3.641 50 0 EHAALO COCc1cccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000018048559 564017802 /nfs/dbraw/zinc/01/78/02/564017802.db2.gz VKXLLCQJHVRRNT-OAHLLOKOSA-N 1 2 335.407 3.510 50 0 EHAALO CCOc1cc(C[N@H+](C)Cc2cc(C)on2)ccc1OC(F)F ZINC000046777211 564025391 /nfs/dbraw/zinc/02/53/91/564025391.db2.gz HCNOCAFMANXNHD-UHFFFAOYSA-N 1 2 326.343 3.615 50 0 EHAALO CCOc1cc(C[N@@H+](C)Cc2cc(C)on2)ccc1OC(F)F ZINC000046777211 564025392 /nfs/dbraw/zinc/02/53/92/564025392.db2.gz HCNOCAFMANXNHD-UHFFFAOYSA-N 1 2 326.343 3.615 50 0 EHAALO Cc1cccn2cc(CNc3cc(C(=O)N(C)C)ccc3Cl)[nH+]c12 ZINC000111186101 564029621 /nfs/dbraw/zinc/02/96/21/564029621.db2.gz VYYQNKKDUUZYJL-UHFFFAOYSA-N 1 2 342.830 3.610 50 0 EHAALO CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cs1 ZINC000048275554 564030610 /nfs/dbraw/zinc/03/06/10/564030610.db2.gz DBQPHRRRSKCVJY-QGZVFWFLSA-N 1 2 347.459 3.992 50 0 EHAALO CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cs1 ZINC000048275554 564030611 /nfs/dbraw/zinc/03/06/11/564030611.db2.gz DBQPHRRRSKCVJY-QGZVFWFLSA-N 1 2 347.459 3.992 50 0 EHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccccc1F ZINC000048324539 564030930 /nfs/dbraw/zinc/03/09/30/564030930.db2.gz YUXPNSMEAAFSPK-UHFFFAOYSA-N 1 2 327.403 3.531 50 0 EHAALO CCCN(C[C@@H]1CCCCO1)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112966522 564032392 /nfs/dbraw/zinc/03/23/92/564032392.db2.gz NGQSIWIVAIDJRH-KRWDZBQOSA-N 1 2 326.444 3.633 50 0 EHAALO CSc1ccccc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000221187953 564036081 /nfs/dbraw/zinc/03/60/81/564036081.db2.gz JFCOVTADBDIYEI-KRWDZBQOSA-N 1 2 337.448 3.776 50 0 EHAALO CC(C)c1nc(N(CCc2ccccn2)Cc2cccnc2)cc[nH+]1 ZINC000225479348 564047139 /nfs/dbraw/zinc/04/71/39/564047139.db2.gz RXAXGIDNZURVTB-UHFFFAOYSA-N 1 2 333.439 3.639 50 0 EHAALO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCc2c1cccc2Cl ZINC000343757568 564054233 /nfs/dbraw/zinc/05/42/33/564054233.db2.gz GRNYEXMWHVBGMU-UHFFFAOYSA-N 1 2 337.810 3.788 50 0 EHAALO Cc1cc(N)nc(SCc2ncc(-c3ccc(Cl)cc3)o2)[nH+]1 ZINC000012534269 564058402 /nfs/dbraw/zinc/05/84/02/564058402.db2.gz ICRSIXOEQPUMCZ-UHFFFAOYSA-N 1 2 332.816 3.968 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccsc1)c1ccc(Cl)cc1 ZINC000012556468 564059324 /nfs/dbraw/zinc/05/93/24/564059324.db2.gz BICIOHJANMEZGB-CQSZACIVSA-N 1 2 331.828 3.654 50 0 EHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccccc1F)c1ccc(F)cc1 ZINC000012559622 564059438 /nfs/dbraw/zinc/05/94/38/564059438.db2.gz PCXSPSUJAXMDGU-INIZCTEOSA-N 1 2 342.349 3.609 50 0 EHAALO O=c1[nH]c2c(c3ccccc13)[C@@H](c1ccccc1)N1C=CN=CC1=[NH+]2 ZINC000012810164 564072525 /nfs/dbraw/zinc/07/25/25/564072525.db2.gz VHWYYHJAQYHNEW-GOSISDBHSA-N 1 2 326.359 3.519 50 0 EHAALO C[C@@H](Nc1cc(N[C@H](C)c2nccs2)[nH+]cn1)c1nccs1 ZINC000185381523 564073545 /nfs/dbraw/zinc/07/35/45/564073545.db2.gz MGEKNPCONCQAKM-NXEZZACHSA-N 1 2 332.458 3.736 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000575616302 564083482 /nfs/dbraw/zinc/08/34/82/564083482.db2.gz ISSMIFBNNUYPCI-GOSISDBHSA-N 1 2 345.446 3.850 50 0 EHAALO C[C@H]1CN(C(=O)NCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000074818255 564086157 /nfs/dbraw/zinc/08/61/57/564086157.db2.gz QFCBGGFZSDNAAV-INIZCTEOSA-N 1 2 346.434 3.765 50 0 EHAALO Cc1nc(N(C)Cc2csc(C(C)C)n2)cc([C@H]2CCOC2)[nH+]1 ZINC000426465477 564093802 /nfs/dbraw/zinc/09/38/02/564093802.db2.gz PGUDCBLXYIAIOS-ZDUSSCGKSA-N 1 2 332.473 3.505 50 0 EHAALO C[C@H](C(=O)N1CCC(CCOc2cc[nH+]cc2)CC1)c1ccccc1 ZINC000065181052 564102355 /nfs/dbraw/zinc/10/23/55/564102355.db2.gz ORPWUBDHQUOWGK-KRWDZBQOSA-N 1 2 338.451 3.893 50 0 EHAALO O=c1nc(C[NH+]2CCCCC2)[nH]c2sc(-c3ccccc3)cc21 ZINC000007285379 564106421 /nfs/dbraw/zinc/10/64/21/564106421.db2.gz MMFYBQKEBFBYBT-UHFFFAOYSA-N 1 2 325.437 3.638 50 0 EHAALO CCc1ccc(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000013324889 564111504 /nfs/dbraw/zinc/11/15/04/564111504.db2.gz LHRWYWWBXIYXFB-UHFFFAOYSA-N 1 2 339.439 3.725 50 0 EHAALO CC(C)(C)c1csc([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)n1 ZINC000076042962 564114759 /nfs/dbraw/zinc/11/47/59/564114759.db2.gz BHUSLAYATAUVDI-CQSZACIVSA-N 1 2 346.500 3.781 50 0 EHAALO c1cn(-c2cc(N3CCCC[C@H]3c3cc4ccccc4[nH]3)ncn2)c[nH+]1 ZINC000170664988 564121288 /nfs/dbraw/zinc/12/12/88/564121288.db2.gz OZBQMZGDQVOFOJ-SFHVURJKSA-N 1 2 344.422 3.875 50 0 EHAALO Cc1cccn2cc(CSc3nnc(C4CC4)n3C3CC3)[nH+]c12 ZINC000007674233 564121775 /nfs/dbraw/zinc/12/17/75/564121775.db2.gz UJGCIYKKOWDMBA-UHFFFAOYSA-N 1 2 325.441 3.739 50 0 EHAALO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000007878274 564124310 /nfs/dbraw/zinc/12/43/10/564124310.db2.gz VMACDBPLWFECIJ-CYBMUJFWSA-N 1 2 330.453 3.623 50 0 EHAALO COc1ccc(C)cc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000007878274 564124311 /nfs/dbraw/zinc/12/43/11/564124311.db2.gz VMACDBPLWFECIJ-CYBMUJFWSA-N 1 2 330.453 3.623 50 0 EHAALO Fc1cc([C@@H]2CCC[N@@H+]2Cc2cncnc2)ccc1Br ZINC000253432741 564131912 /nfs/dbraw/zinc/13/19/12/564131912.db2.gz NINGISHZFFNFQR-HNNXBMFYSA-N 1 2 336.208 3.715 50 0 EHAALO Fc1cc([C@@H]2CCC[N@H+]2Cc2cncnc2)ccc1Br ZINC000253432741 564131913 /nfs/dbraw/zinc/13/19/13/564131913.db2.gz NINGISHZFFNFQR-HNNXBMFYSA-N 1 2 336.208 3.715 50 0 EHAALO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000095981984 564143742 /nfs/dbraw/zinc/14/37/42/564143742.db2.gz FLSLQPMKXCWNBS-ZDUSSCGKSA-N 1 2 338.411 3.621 50 0 EHAALO CC[C@H]([NH2+]Cc1nnc(C)n1CC)c1ccccc1Br ZINC000095985888 564143924 /nfs/dbraw/zinc/14/39/24/564143924.db2.gz GUTLWIIZGZMXNT-AWEZNQCLSA-N 1 2 337.265 3.610 50 0 EHAALO O=C(Cc1ccccc1Cl)N(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000096097130 564145189 /nfs/dbraw/zinc/14/51/89/564145189.db2.gz DOMHKFQHQRWOAH-UHFFFAOYSA-N 1 2 339.826 3.721 50 0 EHAALO CC(=O)N(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)C(C)C ZINC000096279643 564146367 /nfs/dbraw/zinc/14/63/67/564146367.db2.gz HPFZFVTYMJUIGQ-UHFFFAOYSA-N 1 2 340.254 3.995 50 0 EHAALO C/C(=C\C(=O)NCCc1[nH+]ccn1C(F)F)c1ccccc1Cl ZINC000096292636 564146467 /nfs/dbraw/zinc/14/64/67/564146467.db2.gz WNPLPMBXSZARDA-ZHACJKMWSA-N 1 2 339.773 3.694 50 0 EHAALO Cc1cccn2cc(C[S@@](=O)[C@H](C)c3c(F)cccc3F)[nH+]c12 ZINC000096459964 564148309 /nfs/dbraw/zinc/14/83/09/564148309.db2.gz RMHYXFSXCXBEBT-SPSFWMDKSA-N 1 2 334.391 3.931 50 0 EHAALO COCC[C@@H]([NH2+]Cc1nnc(C)o1)c1ccc(Cl)c(Cl)c1 ZINC000284719754 564149199 /nfs/dbraw/zinc/14/91/99/564149199.db2.gz JNELSMUHBFFTOW-CYBMUJFWSA-N 1 2 330.215 3.552 50 0 EHAALO O=C(CC1CC(c2ccccc2)C1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000225588627 564149841 /nfs/dbraw/zinc/14/98/41/564149841.db2.gz BAJQDPKMNSUIFS-UHFFFAOYSA-N 1 2 349.478 3.704 50 0 EHAALO C[N@H+](Cc1cccc(Cl)c1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000057449774 564154318 /nfs/dbraw/zinc/15/43/18/564154318.db2.gz NDJOQZWMNMMULV-SFHVURJKSA-N 1 2 328.843 3.792 50 0 EHAALO C[N@@H+](Cc1cccc(Cl)c1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000057449774 564154319 /nfs/dbraw/zinc/15/43/19/564154319.db2.gz NDJOQZWMNMMULV-SFHVURJKSA-N 1 2 328.843 3.792 50 0 EHAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000003195769 564155861 /nfs/dbraw/zinc/15/58/61/564155861.db2.gz VIKQAJVTFSOGQD-UHFFFAOYSA-N 1 2 349.459 3.954 50 0 EHAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000003195769 564155862 /nfs/dbraw/zinc/15/58/62/564155862.db2.gz VIKQAJVTFSOGQD-UHFFFAOYSA-N 1 2 349.459 3.954 50 0 EHAALO Cn1cnn(C[N@H+](CCc2ccccc2)Cc2ccccc2)c1=S ZINC000003258016 564156682 /nfs/dbraw/zinc/15/66/82/564156682.db2.gz HJMCGKIKIYBRJC-UHFFFAOYSA-N 1 2 338.480 3.653 50 0 EHAALO Cn1cnn(C[N@@H+](CCc2ccccc2)Cc2ccccc2)c1=S ZINC000003258016 564156683 /nfs/dbraw/zinc/15/66/83/564156683.db2.gz HJMCGKIKIYBRJC-UHFFFAOYSA-N 1 2 338.480 3.653 50 0 EHAALO c1ccc2c(c1)CCCc1ccccc1C2OCC[NH+]1CCOCC1 ZINC000031555613 564159567 /nfs/dbraw/zinc/15/95/67/564159567.db2.gz HYELFSCMCLKEJZ-UHFFFAOYSA-N 1 2 337.463 3.614 50 0 EHAALO C[N@H+](Cc1ccco1)Cc1nnc(-c2ccc(Br)cc2)o1 ZINC000066564240 564163435 /nfs/dbraw/zinc/16/34/35/564163435.db2.gz FNNKIAJNZBILES-UHFFFAOYSA-N 1 2 348.200 3.724 50 0 EHAALO C[N@@H+](Cc1ccco1)Cc1nnc(-c2ccc(Br)cc2)o1 ZINC000066564240 564163436 /nfs/dbraw/zinc/16/34/36/564163436.db2.gz FNNKIAJNZBILES-UHFFFAOYSA-N 1 2 348.200 3.724 50 0 EHAALO Cn1cc[nH+]c1[C@H](Nc1ncnc2ccsc21)c1ccccc1F ZINC000008725511 564167000 /nfs/dbraw/zinc/16/70/00/564167000.db2.gz UOFRSMODJMSSRX-CQSZACIVSA-N 1 2 339.399 3.765 50 0 EHAALO c1coc(-c2nc(C[NH+](C[C@H]3CCCO3)C[C@H]3CCCO3)cs2)c1 ZINC000040120152 564168198 /nfs/dbraw/zinc/16/81/98/564168198.db2.gz NGDLDKBZQYELCM-HZPDHXFCSA-N 1 2 348.468 3.563 50 0 EHAALO CC(C)c1ccc(SCC(=O)NCc2ccc(N(C)C)[nH+]c2)cc1 ZINC000040120961 564168242 /nfs/dbraw/zinc/16/82/42/564168242.db2.gz LOIFRGACXPWINZ-UHFFFAOYSA-N 1 2 343.496 3.680 50 0 EHAALO C[C@](CO)([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000069696687 564171483 /nfs/dbraw/zinc/17/14/83/564171483.db2.gz XCXLDQIXLUSZQQ-LJQANCHMSA-N 1 2 342.826 3.992 50 0 EHAALO Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069901004 564172760 /nfs/dbraw/zinc/17/27/60/564172760.db2.gz JPXLDBPCLZSFOW-GOSISDBHSA-N 1 2 346.434 3.731 50 0 EHAALO C[C@@H]1CCc2c(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)csc2C1 ZINC000069976289 564173059 /nfs/dbraw/zinc/17/30/59/564173059.db2.gz OBMJYJXVUFZKJP-ZIAGYGMSSA-N 1 2 329.469 3.547 50 0 EHAALO COc1ccc([C@@H](NC(=O)C[N@H+](C)Cc2ccsc2)C(C)C)cc1 ZINC000010131061 564175072 /nfs/dbraw/zinc/17/50/72/564175072.db2.gz DZNCADMTLRAPMU-IBGZPJMESA-N 1 2 346.496 3.702 50 0 EHAALO COc1ccc([C@@H](NC(=O)C[N@@H+](C)Cc2ccsc2)C(C)C)cc1 ZINC000010131061 564175073 /nfs/dbraw/zinc/17/50/73/564175073.db2.gz DZNCADMTLRAPMU-IBGZPJMESA-N 1 2 346.496 3.702 50 0 EHAALO COc1ccccc1-c1ncc(C[N@H+](C)[C@H](C)c2ccccn2)cn1 ZINC000430068546 1025915527 /nfs/dbraw/zinc/91/55/27/1025915527.db2.gz FZQCTYOSOANPGQ-OAHLLOKOSA-N 1 2 334.423 3.740 50 0 EHAALO COc1ccccc1-c1ncc(C[N@@H+](C)[C@H](C)c2ccccn2)cn1 ZINC000430068546 1025915552 /nfs/dbraw/zinc/91/55/52/1025915552.db2.gz FZQCTYOSOANPGQ-OAHLLOKOSA-N 1 2 334.423 3.740 50 0 EHAALO CCCn1c(C)nnc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000153041447 1120545930 /nfs/dbraw/zinc/54/59/30/1120545930.db2.gz RAUNVHNQVUODNS-UHFFFAOYSA-N 1 2 339.443 3.517 50 0 EHAALO CCCNC(=O)N1CCC[C@H](n2c(C)c[nH+]c2-c2ccccc2)C1 ZINC000581806225 1132368819 /nfs/dbraw/zinc/36/88/19/1132368819.db2.gz NARXRQGQMXISKO-KRWDZBQOSA-N 1 2 326.444 3.615 50 0 EHAALO c1ccc(Oc2ccc(CNc3cc(N4CCCC4)nc[nH+]3)cn2)cc1 ZINC000192295026 1137455212 /nfs/dbraw/zinc/45/52/12/1137455212.db2.gz VHRGRUMCHJBKKX-UHFFFAOYSA-N 1 2 347.422 3.876 50 0 EHAALO c1ccc(Oc2ccc(CNc3cc(N4CCCC4)[nH+]cn3)cn2)cc1 ZINC000192295026 1137455214 /nfs/dbraw/zinc/45/52/14/1137455214.db2.gz VHRGRUMCHJBKKX-UHFFFAOYSA-N 1 2 347.422 3.876 50 0 EHAALO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1nc(N(C)C)no1)C(C)C ZINC000192782752 1137456621 /nfs/dbraw/zinc/45/66/21/1137456621.db2.gz PZMHOQZPEYHPTD-MRXNPFEDSA-N 1 2 328.416 3.677 50 0 EHAALO Fc1cccc(NC(=S)N2CC[NH+](/C=C/c3ccccc3)CC2)c1 ZINC000051313310 214087242 /nfs/dbraw/zinc/08/72/42/214087242.db2.gz GWPWRWYZSJNHCS-MDZDMXLPSA-N 1 2 341.455 3.811 50 0 EHAALO c1ccc2sc(C3CC[NH+](Cc4noc(C5CC5)n4)CC3)nc2c1 ZINC000053603494 214190246 /nfs/dbraw/zinc/19/02/46/214190246.db2.gz PTVOEABWUZDQIX-UHFFFAOYSA-N 1 2 340.452 3.936 50 0 EHAALO O=C(NCCc1c[nH+]c[nH]1)c1ccccc1Cc1ccc(Cl)cc1 ZINC000055165713 214281955 /nfs/dbraw/zinc/28/19/55/214281955.db2.gz DNCTURFSSZGYMZ-UHFFFAOYSA-N 1 2 339.826 3.626 50 0 EHAALO O=C(NCCc1c[nH]c[nH+]1)c1ccccc1Cc1ccc(Cl)cc1 ZINC000055165713 214281959 /nfs/dbraw/zinc/28/19/59/214281959.db2.gz DNCTURFSSZGYMZ-UHFFFAOYSA-N 1 2 339.826 3.626 50 0 EHAALO CC[C@@H](C)n1nccc1NC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000055228397 214292962 /nfs/dbraw/zinc/29/29/62/214292962.db2.gz UEWHSNXAUVGMDM-CYBMUJFWSA-N 1 2 337.427 3.720 50 0 EHAALO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000003617089 210067946 /nfs/dbraw/zinc/06/79/46/210067946.db2.gz YTFDOHSVVUXJNY-UHFFFAOYSA-N 1 2 336.794 3.558 50 0 EHAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000003617089 210067948 /nfs/dbraw/zinc/06/79/48/210067948.db2.gz YTFDOHSVVUXJNY-UHFFFAOYSA-N 1 2 336.794 3.558 50 0 EHAALO Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067723264 215195068 /nfs/dbraw/zinc/19/50/68/215195068.db2.gz OBYKEEUVLPTXBT-GFCCVEGCSA-N 1 2 333.819 3.587 50 0 EHAALO O=C(Cn1c2ccccc2[nH+]c1C1CC1)N1CCC[C@H]1c1ccccn1 ZINC000067726027 215195997 /nfs/dbraw/zinc/19/59/97/215195997.db2.gz LRVFMAMTZLDBSW-SFHVURJKSA-N 1 2 346.434 3.672 50 0 EHAALO CC[C@@H](C)N(CC)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067739873 215199506 /nfs/dbraw/zinc/19/95/06/215199506.db2.gz XOGGYNDMXOIRFF-OAHLLOKOSA-N 1 2 329.444 3.567 50 0 EHAALO CC[C@@H](C)N(CC)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067739873 215199507 /nfs/dbraw/zinc/19/95/07/215199507.db2.gz XOGGYNDMXOIRFF-OAHLLOKOSA-N 1 2 329.444 3.567 50 0 EHAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)Cc1ccccc1 ZINC000067871726 215235878 /nfs/dbraw/zinc/23/58/78/215235878.db2.gz VWYHMMZMORSQDN-UHFFFAOYSA-N 1 2 345.446 3.577 50 0 EHAALO Cc1cc(N2Cc3cnc(CC(C)C)nc3C2)nc(-c2ccccc2)[nH+]1 ZINC000067886253 215242599 /nfs/dbraw/zinc/24/25/99/215242599.db2.gz IAHCEMQXOUIOEZ-UHFFFAOYSA-N 1 2 345.450 3.961 50 0 EHAALO COc1ccccc1CCC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000069067855 215357767 /nfs/dbraw/zinc/35/77/67/215357767.db2.gz LGXXYAGPUUIAKV-MRXNPFEDSA-N 1 2 349.434 3.691 50 0 EHAALO Cc1ccc(-c2csc3[nH]c(C[NH+]4CCCC4)nc(=O)c23)c(C)c1 ZINC000036204067 213077071 /nfs/dbraw/zinc/07/70/71/213077071.db2.gz ABWJRBQJNHIJIZ-UHFFFAOYSA-N 1 2 339.464 3.864 50 0 EHAALO Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CC(c2cccnc2)C1 ZINC000072147865 216035132 /nfs/dbraw/zinc/03/51/32/216035132.db2.gz OFLUCIUIVXERSU-UHFFFAOYSA-N 1 2 338.842 3.829 50 0 EHAALO C[C@H](c1nncn1C)n1cc[nH+]c1C(c1ccccc1)c1ccccc1 ZINC000072163782 216053302 /nfs/dbraw/zinc/05/33/02/216053302.db2.gz NZUOWPBCQZVLKV-MRXNPFEDSA-N 1 2 343.434 3.801 50 0 EHAALO O=C(c1cc2c(s1)CCCCC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072430350 216222005 /nfs/dbraw/zinc/22/20/05/216222005.db2.gz CDUMZXRUDCBFMH-UHFFFAOYSA-N 1 2 329.469 3.760 50 0 EHAALO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000072583549 216278366 /nfs/dbraw/zinc/27/83/66/216278366.db2.gz AMRJKCUVTLZARM-LBPRGKRZSA-N 1 2 329.425 3.545 50 0 EHAALO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000072583549 216278370 /nfs/dbraw/zinc/27/83/70/216278370.db2.gz AMRJKCUVTLZARM-LBPRGKRZSA-N 1 2 329.425 3.545 50 0 EHAALO C[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023563387 212383292 /nfs/dbraw/zinc/38/32/92/212383292.db2.gz AOYARPBXZBSTNA-LBPRGKRZSA-N 1 2 341.798 3.722 50 0 EHAALO Cn1c[nH+]cc1CCC(=O)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000193795864 240313482 /nfs/dbraw/zinc/31/34/82/240313482.db2.gz TYCXAHONISTYKF-DZZUKKPASA-N 1 2 343.496 3.899 50 0 EHAALO COc1cc(OC)c(C[N@H+](Cc2cccnc2)C2CC2)cc1Cl ZINC000215351747 241119343 /nfs/dbraw/zinc/11/93/43/241119343.db2.gz IDGSNRPACMTUFR-UHFFFAOYSA-N 1 2 332.831 3.917 50 0 EHAALO COc1cc(OC)c(C[N@@H+](Cc2cccnc2)C2CC2)cc1Cl ZINC000215351747 241119346 /nfs/dbraw/zinc/11/93/46/241119346.db2.gz IDGSNRPACMTUFR-UHFFFAOYSA-N 1 2 332.831 3.917 50 0 EHAALO Clc1cnccc1C[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000215508752 241129044 /nfs/dbraw/zinc/12/90/44/241129044.db2.gz CWBPLNXGKLXKQH-UHFFFAOYSA-N 1 2 344.871 3.667 50 0 EHAALO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000021134240 212209866 /nfs/dbraw/zinc/20/98/66/212209866.db2.gz YSPHCVBSGIPWNJ-UHFFFAOYSA-N 1 2 347.340 3.574 50 0 EHAALO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000021134240 212209869 /nfs/dbraw/zinc/20/98/69/212209869.db2.gz YSPHCVBSGIPWNJ-UHFFFAOYSA-N 1 2 347.340 3.574 50 0 EHAALO COc1cc(C)cc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000242339334 243020573 /nfs/dbraw/zinc/02/05/73/243020573.db2.gz ZGYWBRJJWACZIB-PBHICJAKSA-N 1 2 342.443 3.624 50 0 EHAALO O=c1[nH]c(C[NH+]2CCCCC2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000020790892 212171119 /nfs/dbraw/zinc/17/11/19/212171119.db2.gz FGHMVQGMDWDRAL-UHFFFAOYSA-N 1 2 349.478 3.791 50 0 EHAALO Cc1nc2c3c4c(sc3nc(C)n2n1)C[N@@H+](Cc1ccccc1)CC4 ZINC000020565762 212147714 /nfs/dbraw/zinc/14/77/14/212147714.db2.gz RDHCIPHLKKIYHH-UHFFFAOYSA-N 1 2 349.463 3.514 50 0 EHAALO Cc1nc2c3c4c(sc3nc(C)n2n1)C[N@H+](Cc1ccccc1)CC4 ZINC000020565762 212147718 /nfs/dbraw/zinc/14/77/18/212147718.db2.gz RDHCIPHLKKIYHH-UHFFFAOYSA-N 1 2 349.463 3.514 50 0 EHAALO O=C(c1cc2c(s1)CCCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019770919 212063387 /nfs/dbraw/zinc/06/33/87/212063387.db2.gz SUKLIHZZLBYIQR-UHFFFAOYSA-N 1 2 340.492 3.585 50 0 EHAALO FC(F)(F)c1cccc(C[C@H]2C[N@H+](Cc3cccnc3)CCO2)c1 ZINC000019642773 212053536 /nfs/dbraw/zinc/05/35/36/212053536.db2.gz CFSXIKGJOWNJPY-KRWDZBQOSA-N 1 2 336.357 3.544 50 0 EHAALO FC(F)(F)c1cccc(C[C@H]2C[N@@H+](Cc3cccnc3)CCO2)c1 ZINC000019642773 212053539 /nfs/dbraw/zinc/05/35/39/212053539.db2.gz CFSXIKGJOWNJPY-KRWDZBQOSA-N 1 2 336.357 3.544 50 0 EHAALO COc1ccccc1CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019372282 212022454 /nfs/dbraw/zinc/02/24/54/212022454.db2.gz ULRFRUPVCZCLII-UHFFFAOYSA-N 1 2 330.859 3.666 50 0 EHAALO Cc1cc(C)cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000012925441 211485502 /nfs/dbraw/zinc/48/55/02/211485502.db2.gz OXTSVDPAGLRFAU-UHFFFAOYSA-N 1 2 329.469 3.998 50 0 EHAALO CC(C)Cc1cc(C[N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)n[nH]1 ZINC000012317414 211344150 /nfs/dbraw/zinc/34/41/50/211344150.db2.gz PYMAMWUTSOSXMY-HNNXBMFYSA-N 1 2 348.441 3.963 50 0 EHAALO CC(C)Cc1cc(C[N@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)n[nH]1 ZINC000012317414 211344159 /nfs/dbraw/zinc/34/41/59/211344159.db2.gz PYMAMWUTSOSXMY-HNNXBMFYSA-N 1 2 348.441 3.963 50 0 EHAALO C[N@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccc(F)cc1 ZINC000012372896 211358506 /nfs/dbraw/zinc/35/85/06/211358506.db2.gz KZXXFEHCKHZZIW-UHFFFAOYSA-N 1 2 325.387 3.626 50 0 EHAALO C[N@@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccc(F)cc1 ZINC000012372896 211358509 /nfs/dbraw/zinc/35/85/09/211358509.db2.gz KZXXFEHCKHZZIW-UHFFFAOYSA-N 1 2 325.387 3.626 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCc2ccccc2C)C1 ZINC000091416799 218002286 /nfs/dbraw/zinc/00/22/86/218002286.db2.gz GRZWUHHXXORBMZ-SFHVURJKSA-N 1 2 325.456 3.550 50 0 EHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000091475663 218012427 /nfs/dbraw/zinc/01/24/27/218012427.db2.gz IHOUGPHNUKKQHV-RBUKOAKNSA-N 1 2 337.467 3.974 50 0 EHAALO Cc1ccc2[nH+]cc(CN(C)Cc3nccn3Cc3ccccc3)n2c1 ZINC000093337296 218215452 /nfs/dbraw/zinc/21/54/52/218215452.db2.gz WWTDJSYAPANHIK-UHFFFAOYSA-N 1 2 345.450 3.520 50 0 EHAALO Cc1ccsc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000009609602 211107739 /nfs/dbraw/zinc/10/77/39/211107739.db2.gz NTKYRDMIHDBWPU-UHFFFAOYSA-N 1 2 335.498 3.997 50 0 EHAALO CC(=O)c1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)cc1 ZINC000095362539 218295256 /nfs/dbraw/zinc/29/52/56/218295256.db2.gz WLPNLTFRCSWEJY-SFHVURJKSA-N 1 2 339.439 3.686 50 0 EHAALO O=C(Nc1ccc(-c2ccccc2)nn1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000096483209 218859548 /nfs/dbraw/zinc/85/95/48/218859548.db2.gz HOYGJQOEUMPINF-INIZCTEOSA-N 1 2 348.410 3.626 50 0 EHAALO Cc1cccc2[nH+]c(C[S@](=O)CCc3ccccc3Cl)cn21 ZINC000097083699 218944944 /nfs/dbraw/zinc/94/49/44/218944944.db2.gz OFRIQQTYBKZMIW-QFIPXVFZSA-N 1 2 332.856 3.788 50 0 EHAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CCc1ccc(-c3ccccc3)o1)C2 ZINC000097198354 218986215 /nfs/dbraw/zinc/98/62/15/218986215.db2.gz MTXYUCUSMPKRHA-QGZVFWFLSA-N 1 2 349.434 3.515 50 0 EHAALO Fc1ccccc1N1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000052530344 132183925 /nfs/dbraw/zinc/18/39/25/132183925.db2.gz NXVQEEDIHKYYAA-UHFFFAOYSA-N 1 2 337.398 3.803 50 0 EHAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccccc3F)n2)C1 ZINC000014116592 563742325 /nfs/dbraw/zinc/74/23/25/563742325.db2.gz WNRXPEXZKDKCEU-GFCCVEGCSA-N 1 2 333.432 3.766 50 0 EHAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccccc3F)n2)C1 ZINC000014116592 563742328 /nfs/dbraw/zinc/74/23/28/563742328.db2.gz WNRXPEXZKDKCEU-GFCCVEGCSA-N 1 2 333.432 3.766 50 0 EHAALO CCCCc1ccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000016603658 563816293 /nfs/dbraw/zinc/81/62/93/563816293.db2.gz IVZIZQGIGDXOML-UHFFFAOYSA-N 1 2 326.440 3.580 50 0 EHAALO CC(C)[C@@H](NC(=O)Nc1nc2ccccc2s1)c1[nH+]ccn1C ZINC000032933004 563843433 /nfs/dbraw/zinc/84/34/33/563843433.db2.gz KFFPJXFNLKRYDY-CYBMUJFWSA-N 1 2 329.429 3.549 50 0 EHAALO COc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000025452522 563885033 /nfs/dbraw/zinc/88/50/33/563885033.db2.gz IIAQMCLEXATVEU-CYBMUJFWSA-N 1 2 339.370 3.511 50 0 EHAALO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+](C)Cc1ccc(F)cc1F ZINC000025531527 563885832 /nfs/dbraw/zinc/88/58/32/563885832.db2.gz UMCSVIQRWXTSIJ-AWEZNQCLSA-N 1 2 344.405 3.765 50 0 EHAALO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccc(F)cc1F ZINC000025531527 563885833 /nfs/dbraw/zinc/88/58/33/563885833.db2.gz UMCSVIQRWXTSIJ-AWEZNQCLSA-N 1 2 344.405 3.765 50 0 EHAALO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccc(Cl)cn1 ZINC000026372442 563891101 /nfs/dbraw/zinc/89/11/01/563891101.db2.gz QIZQBUJVPLQKFO-SNVBAGLBSA-N 1 2 332.816 3.502 50 0 EHAALO O=C(Cc1cn2ccccc2[nH+]1)Nc1ccc(OC2CCCC2)cc1 ZINC000030251279 563909733 /nfs/dbraw/zinc/90/97/33/563909733.db2.gz YPVFVMCANJYRRJ-UHFFFAOYSA-N 1 2 335.407 3.837 50 0 EHAALO Cn1ncc2c1nc[nH+]c2SCc1ccccc1Oc1cccnc1 ZINC000058192779 563939481 /nfs/dbraw/zinc/93/94/81/563939481.db2.gz PMFVVTDEONZSJE-UHFFFAOYSA-N 1 2 349.419 3.843 50 0 EHAALO Cc1nc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c(C)c(C)[nH+]1 ZINC000096474584 563954881 /nfs/dbraw/zinc/95/48/81/563954881.db2.gz CXECYKJKFDQRPH-UHFFFAOYSA-N 1 2 339.365 3.528 50 0 EHAALO C[C@@H]([NH2+]Cc1nc2ccccc2o1)c1cccc(N2CCCC2=O)c1 ZINC000096491322 563955646 /nfs/dbraw/zinc/95/56/46/563955646.db2.gz XDQVUZMSZJNAAI-CQSZACIVSA-N 1 2 335.407 3.805 50 0 EHAALO O=C(C[C@H](c1ccco1)c1ccccc1)NCc1c[nH+]c2ccccn12 ZINC000065462636 563961248 /nfs/dbraw/zinc/96/12/48/563961248.db2.gz DQNMIIWBTHTRHS-SFHVURJKSA-N 1 2 345.402 3.766 50 0 EHAALO O=C1OCCN1CCn1c[nH+]c(-c2ccccc2)c1Cc1ccccc1 ZINC000065489061 563961515 /nfs/dbraw/zinc/96/15/15/563961515.db2.gz ZFQVXEKJQAENPV-UHFFFAOYSA-N 1 2 347.418 3.593 50 0 EHAALO O[C@@H](COc1ccc(-c2[nH+]cc3n2CCCC3)cc1)CC(F)(F)F ZINC000284024730 563962902 /nfs/dbraw/zinc/96/29/02/563962902.db2.gz QTQDSRJAGPILLT-CQSZACIVSA-N 1 2 340.345 3.579 50 0 EHAALO CO[C@@H](Cn1cc[nH+]c1-c1ccc(NC(C)=O)cc1)c1cccs1 ZINC000071576017 563964538 /nfs/dbraw/zinc/96/45/38/563964538.db2.gz CHFAGBVEAWDVOE-INIZCTEOSA-N 1 2 341.436 3.958 50 0 EHAALO O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCCCC[C@@H]1c1ccco1 ZINC000076510455 563968088 /nfs/dbraw/zinc/96/80/88/563968088.db2.gz KNQTYCZKLULYQC-MRXNPFEDSA-N 1 2 339.395 3.875 50 0 EHAALO O=C(c1ccc(Oc2ccccc2)o1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077320078 563968912 /nfs/dbraw/zinc/96/89/12/563968912.db2.gz DYRQAOANLLDNIG-AWEZNQCLSA-N 1 2 337.379 3.815 50 0 EHAALO Cc1cc(N2CCC[C@@H](Cn3cc[nH+]c3)C2)nc(-c2ccccc2)n1 ZINC000077356709 563969152 /nfs/dbraw/zinc/96/91/52/563969152.db2.gz LDAZCXIBNAZZKN-KRWDZBQOSA-N 1 2 333.439 3.565 50 0 EHAALO Cc1cc(N2CCCC2)[nH+]c2ccc(NC(=O)c3ccccn3)cc12 ZINC000033269396 563971732 /nfs/dbraw/zinc/97/17/32/563971732.db2.gz XAWAKYUKFNHLCC-UHFFFAOYSA-N 1 2 332.407 3.791 50 0 EHAALO C[NH+](C)[C@H](C(=O)NCCCSc1ccccc1)c1ccccc1F ZINC000092028568 563976017 /nfs/dbraw/zinc/97/60/17/563976017.db2.gz VWYSHNZORODWCQ-SFHVURJKSA-N 1 2 346.471 3.727 50 0 EHAALO Cc1cccn2cc(-c3cccc(NC(=O)c4cccnc4)c3)[nH+]c12 ZINC000000092438 563976600 /nfs/dbraw/zinc/97/66/00/563976600.db2.gz HOQYILOSJAHQGH-UHFFFAOYSA-N 1 2 328.375 3.957 50 0 EHAALO Cc1ccc2nc(C)c(C)c(C(=O)NCC[C@H](C)n3cc[nH+]c3)c2c1 ZINC000095524316 563977459 /nfs/dbraw/zinc/97/74/59/563977459.db2.gz KSLJUNNJPCLDRS-AWEZNQCLSA-N 1 2 336.439 3.738 50 0 EHAALO COc1ccc([C@H](CC(=O)NCc2[nH]c[nH+]c2C)c2ccccc2)cc1 ZINC000095530369 563977559 /nfs/dbraw/zinc/97/75/59/563977559.db2.gz GENXODXYOXSRAY-LJQANCHMSA-N 1 2 349.434 3.565 50 0 EHAALO COc1ccc(-c2nc3c([nH]2)C[N@H+](Cc2ccccc2F)CC3)cc1 ZINC000096162236 563979830 /nfs/dbraw/zinc/97/98/30/563979830.db2.gz OUAHJRODEUTVJG-UHFFFAOYSA-N 1 2 337.398 3.783 50 0 EHAALO COc1ccc(-c2nc3c([nH]2)C[N@@H+](Cc2ccccc2F)CC3)cc1 ZINC000096162236 563979831 /nfs/dbraw/zinc/97/98/31/563979831.db2.gz OUAHJRODEUTVJG-UHFFFAOYSA-N 1 2 337.398 3.783 50 0 EHAALO Cc1ccc2[nH]c(CCNc3nccc(-c4ccccn4)n3)[nH+]c2c1C ZINC000097099544 563981276 /nfs/dbraw/zinc/98/12/76/563981276.db2.gz NIHIJWIGFWYYPP-UHFFFAOYSA-N 1 2 344.422 3.686 50 0 EHAALO Cc1ccc2[nH+]c(CCNc3nccc(-c4ccccn4)n3)[nH]c2c1C ZINC000097099544 563981277 /nfs/dbraw/zinc/98/12/77/563981277.db2.gz NIHIJWIGFWYYPP-UHFFFAOYSA-N 1 2 344.422 3.686 50 0 EHAALO Cc1cc(Cl)ccc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000128466944 563996114 /nfs/dbraw/zinc/99/61/14/563996114.db2.gz JVLMPQVMXPTXMJ-UHFFFAOYSA-N 1 2 331.847 3.704 50 0 EHAALO Cc1ccc(C)c([C@H]([NH2+]Cc2ncnn2CCF)c2ccccc2)c1 ZINC000252492917 563997817 /nfs/dbraw/zinc/99/78/17/563997817.db2.gz MXMQDNMCXNIAKH-HXUWFJFHSA-N 1 2 338.430 3.744 50 0 EHAALO Cc1nnc([C@H](C)[N@@H+]2CCc3sc(-c4csc(C)n4)cc3C2)o1 ZINC000180881645 564013656 /nfs/dbraw/zinc/01/36/56/564013656.db2.gz HIZZSQDULBGHMB-VIFPVBQESA-N 1 2 346.481 3.991 50 0 EHAALO Cc1nnc([C@H](C)[N@H+]2CCc3sc(-c4csc(C)n4)cc3C2)o1 ZINC000180881645 564013657 /nfs/dbraw/zinc/01/36/57/564013657.db2.gz HIZZSQDULBGHMB-VIFPVBQESA-N 1 2 346.481 3.991 50 0 EHAALO COCc1cccc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000018048558 564017788 /nfs/dbraw/zinc/01/77/88/564017788.db2.gz VKXLLCQJHVRRNT-HNNXBMFYSA-N 1 2 335.407 3.510 50 0 EHAALO COc1ccc(C)cc1CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048621 564017830 /nfs/dbraw/zinc/01/78/30/564017830.db2.gz FOFPVEJAGSSKSI-MRXNPFEDSA-N 1 2 349.434 3.609 50 0 EHAALO CC(C)N(C)C(=O)N[C@H](Cc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000583651685 564018356 /nfs/dbraw/zinc/01/83/56/564018356.db2.gz RBDDWIBJWRWEBA-CQSZACIVSA-N 1 2 336.386 3.612 50 0 EHAALO CC[NH+](CC)Cc1nnc2sc(/C=C\c3cccc(Cl)c3)nn12 ZINC000103168829 564021621 /nfs/dbraw/zinc/02/16/21/564021621.db2.gz LQBZITHSYONIIK-HJWRWDBZSA-N 1 2 347.875 3.851 50 0 EHAALO Cc1nnc(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)o1 ZINC000181591300 564024200 /nfs/dbraw/zinc/02/42/00/564024200.db2.gz LVZSIEOHQLMSQY-KRWDZBQOSA-N 1 2 329.350 3.730 50 0 EHAALO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000047297441 564026042 /nfs/dbraw/zinc/02/60/42/564026042.db2.gz AQERBHVYDVKCNW-OAQYLSRUSA-N 1 2 345.446 3.779 50 0 EHAALO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(c2ccccc2)C(C)C)on1 ZINC000047273985 564026044 /nfs/dbraw/zinc/02/60/44/564026044.db2.gz IFPPASSOACMYJE-QGZVFWFLSA-N 1 2 327.428 3.562 50 0 EHAALO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(c2ccccc2)C(C)C)on1 ZINC000047273985 564026045 /nfs/dbraw/zinc/02/60/45/564026045.db2.gz IFPPASSOACMYJE-QGZVFWFLSA-N 1 2 327.428 3.562 50 0 EHAALO CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)C1(C)C ZINC000108984514 564028587 /nfs/dbraw/zinc/02/85/87/564028587.db2.gz LDGRAMYFABEGLG-KZNAEPCWSA-N 1 2 337.467 3.864 50 0 EHAALO COc1ccccc1[C@H](NC(=O)c1ccc(C)c(C)c1)c1[nH+]ccn1C ZINC000048289130 564030518 /nfs/dbraw/zinc/03/05/18/564030518.db2.gz MOFAYDXDUYNDAF-IBGZPJMESA-N 1 2 349.434 3.565 50 0 EHAALO Cc1c[nH]c([C@@H](C)NC(=O)CCc2ccc(-c3cccs3)o2)[nH+]1 ZINC000222505683 564036898 /nfs/dbraw/zinc/03/68/98/564036898.db2.gz UUGGADPTJRTAAH-GFCCVEGCSA-N 1 2 329.425 3.850 50 0 EHAALO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000225408288 564046480 /nfs/dbraw/zinc/04/64/80/564046480.db2.gz JGBTYLJLEKXBPZ-VQTJNVASSA-N 1 2 349.478 3.657 50 0 EHAALO CC(C)N(CC(F)(F)F)C(=O)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000426715886 564051502 /nfs/dbraw/zinc/05/15/02/564051502.db2.gz KXSIFUNQXOOCIS-UHFFFAOYSA-N 1 2 325.334 3.500 50 0 EHAALO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCc1ccc(OC)cc1 ZINC000241126091 564051851 /nfs/dbraw/zinc/05/18/51/564051851.db2.gz JJMBTMLNZVANOJ-GOSISDBHSA-N 1 2 341.455 3.598 50 0 EHAALO Cc1ncsc1-c1nc(C[NH2+][C@@H](c2ncccc2C)C(C)C)no1 ZINC000084247951 564067565 /nfs/dbraw/zinc/06/75/65/564067565.db2.gz KDTHBYGSHHDJIY-CQSZACIVSA-N 1 2 343.456 3.692 50 0 EHAALO Clc1ccc(-c2csc(NCCC[NH+]3CCOCC3)n2)cc1 ZINC000012786109 564070320 /nfs/dbraw/zinc/07/03/20/564070320.db2.gz LOPGVERSSYGGLR-UHFFFAOYSA-N 1 2 337.876 3.598 50 0 EHAALO COc1ccccc1C(=O)Nc1ccc(-c2c[nH+]c3n2CCC3)cc1 ZINC000086071855 564075241 /nfs/dbraw/zinc/07/52/41/564075241.db2.gz PLWQBWHKCDFPAO-UHFFFAOYSA-N 1 2 333.391 3.757 50 0 EHAALO COc1c(C)c[nH+]c(CNC(=O)N([C@H](C)c2ccco2)C2CC2)c1C ZINC000086372683 564075563 /nfs/dbraw/zinc/07/55/63/564075563.db2.gz SGGCXYLEDWQKKR-CQSZACIVSA-N 1 2 343.427 3.735 50 0 EHAALO COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)n2cc[nH+]c2)cc1 ZINC000047918489 564075948 /nfs/dbraw/zinc/07/59/48/564075948.db2.gz NZFFSVFCQVKEIZ-QAPCUYQASA-N 1 2 327.428 3.597 50 0 EHAALO O=S(=O)(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1cccc(F)c1 ZINC000075106938 564080139 /nfs/dbraw/zinc/08/01/39/564080139.db2.gz PAMDXOBDPRAXJW-UHFFFAOYSA-N 1 2 345.399 3.770 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)c2c[nH]c3ccccc32)C1 ZINC000575617756 564083593 /nfs/dbraw/zinc/08/35/93/564083593.db2.gz QZGAWPFQDSXZIC-HNNXBMFYSA-N 1 2 344.418 3.913 50 0 EHAALO Cc1ccc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c(Cl)c1 ZINC000191245976 564084888 /nfs/dbraw/zinc/08/48/88/564084888.db2.gz LXYAKGLXYQRYKE-UHFFFAOYSA-N 1 2 331.847 3.704 50 0 EHAALO Cc1nc(NCC2(c3ccccc3)CCCC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426405848 564093621 /nfs/dbraw/zinc/09/36/21/564093621.db2.gz YAUCOZXDXFQGMQ-QGZVFWFLSA-N 1 2 337.467 3.635 50 0 EHAALO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000065286108 564104380 /nfs/dbraw/zinc/10/43/80/564104380.db2.gz MAFWBNZTPYLKGY-QGZVFWFLSA-N 1 2 338.386 3.998 50 0 EHAALO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000065286108 564104381 /nfs/dbraw/zinc/10/43/81/564104381.db2.gz MAFWBNZTPYLKGY-QGZVFWFLSA-N 1 2 338.386 3.998 50 0 EHAALO Cc1ccc([C@@H](C)[NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)o1 ZINC000170077269 564105293 /nfs/dbraw/zinc/10/52/93/564105293.db2.gz WWQDGCLAONUPKD-GFCCVEGCSA-N 1 2 341.436 3.661 50 0 EHAALO CN(CCCNC(=O)N1CCC[C@@H]1c1ccsc1)c1cccc[nH+]1 ZINC000065439583 564105973 /nfs/dbraw/zinc/10/59/73/564105973.db2.gz SPHVLXQFVXYLEP-MRXNPFEDSA-N 1 2 344.484 3.516 50 0 EHAALO FC(F)(F)Oc1ccc(NCc2ccc(N3CCCC3)[nH+]c2)nc1 ZINC000170598818 564109236 /nfs/dbraw/zinc/10/92/36/564109236.db2.gz BPBXCJKFKWKPKD-UHFFFAOYSA-N 1 2 338.333 3.588 50 0 EHAALO Cc1cccn2cc(CC(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)[nH+]c12 ZINC000170610993 564109769 /nfs/dbraw/zinc/10/97/69/564109769.db2.gz XHIBGWYZMLQPJQ-YOEHRIQHSA-N 1 2 337.423 3.560 50 0 EHAALO O=C(N[C@H](c1ccc(F)cc1)C1CC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000089782801 564113728 /nfs/dbraw/zinc/11/37/28/564113728.db2.gz NOHFGQPXCOKJIF-IRXDYDNUSA-N 1 2 342.418 3.937 50 0 EHAALO COc1cc(C[N@H+](C)Cc2nc(C)c(C)o2)c(SC)cc1OC ZINC000076020956 564114576 /nfs/dbraw/zinc/11/45/76/564114576.db2.gz KOZPVSHOCSNQSV-UHFFFAOYSA-N 1 2 336.457 3.663 50 0 EHAALO COc1cc(C[N@@H+](C)Cc2nc(C)c(C)o2)c(SC)cc1OC ZINC000076020956 564114577 /nfs/dbraw/zinc/11/45/77/564114577.db2.gz KOZPVSHOCSNQSV-UHFFFAOYSA-N 1 2 336.457 3.663 50 0 EHAALO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000076040257 564114796 /nfs/dbraw/zinc/11/47/96/564114796.db2.gz UINDZQXGLHPJKI-KRWDZBQOSA-N 1 2 348.450 3.615 50 0 EHAALO C[C@@H](C[NH2+][C@H](c1ncon1)c1ccc(F)c(F)c1)c1ccccc1 ZINC000194526991 564121558 /nfs/dbraw/zinc/12/15/58/564121558.db2.gz BHIHKRYHEGWECL-SJCJKPOMSA-N 1 2 329.350 3.831 50 0 EHAALO Cc1cc(C(=O)Nc2ccccc2-c2cn3cccc(C)c3[nH+]2)no1 ZINC000390825924 564138432 /nfs/dbraw/zinc/13/84/32/564138432.db2.gz QLHHKCBCNOTRPO-UHFFFAOYSA-N 1 2 332.363 3.858 50 0 EHAALO FC(F)(F)c1ccc(Nc2ccc([NH2+]C3CCOCC3)cc2)nn1 ZINC000095981550 564143695 /nfs/dbraw/zinc/14/36/95/564143695.db2.gz ZPHFAIWGOUCSBT-UHFFFAOYSA-N 1 2 338.333 3.830 50 0 EHAALO Cc1cccn2cc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH+]c12 ZINC000002960801 564153817 /nfs/dbraw/zinc/15/38/17/564153817.db2.gz ZRIOHJAGEHQKPT-UHFFFAOYSA-N 1 2 333.313 3.592 50 0 EHAALO CC[C@H](NC(=O)Cc1coc2cc(C)cc(C)c12)c1[nH]cc(C)[nH+]1 ZINC000670445459 564158320 /nfs/dbraw/zinc/15/83/20/564158320.db2.gz OVXDOIDTXPKKHD-HNNXBMFYSA-N 1 2 325.412 3.891 50 0 EHAALO O=C(CCc1cccc(Cl)c1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000244933123 564168579 /nfs/dbraw/zinc/16/85/79/564168579.db2.gz CCJCPQSSOIRUEF-UHFFFAOYSA-N 1 2 344.842 3.738 50 0 EHAALO Cn1c[nH+]c2c1CCN(Cc1csc(-c3ccccc3Cl)n1)C2 ZINC000069559572 564170426 /nfs/dbraw/zinc/17/04/26/564170426.db2.gz ROBUFMWSQQCQCQ-UHFFFAOYSA-N 1 2 344.871 3.755 50 0 EHAALO COc1cc2ccccc2cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069659487 564171287 /nfs/dbraw/zinc/17/12/87/564171287.db2.gz XHUMLVXUDSTLHA-KRWDZBQOSA-N 1 2 335.407 3.522 50 0 EHAALO Cc1cc(OC(C)C)ccc1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000069769347 564172017 /nfs/dbraw/zinc/17/20/17/564172017.db2.gz WMURWCYEOIILEW-UHFFFAOYSA-N 1 2 342.443 3.637 50 0 EHAALO O=C(c1cc2c(cccc2F)s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069917619 564172794 /nfs/dbraw/zinc/17/27/94/564172794.db2.gz REWHHHHOIMIIIW-LBPRGKRZSA-N 1 2 329.400 3.714 50 0 EHAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2coc(-c3cccc(F)c3)n2)cn1 ZINC000071799316 564175442 /nfs/dbraw/zinc/17/54/42/564175442.db2.gz BXVAILJKYIIVDE-QGZVFWFLSA-N 1 2 326.375 3.551 50 0 EHAALO Cn1cc([C@H]2CCC[N@H+]2Cc2coc(-c3cccc(F)c3)n2)cn1 ZINC000071799316 564175443 /nfs/dbraw/zinc/17/54/43/564175443.db2.gz BXVAILJKYIIVDE-QGZVFWFLSA-N 1 2 326.375 3.551 50 0 EHAALO CCCn1c(C)c[nH+]c1C1CN(C(=O)Nc2ccccc2OCC)C1 ZINC000581812717 1132365698 /nfs/dbraw/zinc/36/56/98/1132365698.db2.gz ILMLAMUSNRSCEB-UHFFFAOYSA-N 1 2 342.443 3.632 50 0 EHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000581806518 1132368734 /nfs/dbraw/zinc/36/87/34/1132368734.db2.gz RPRUEMKWQUOTFF-IBGZPJMESA-N 1 2 346.434 3.731 50 0 EHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000581807685 1132370969 /nfs/dbraw/zinc/37/09/69/1132370969.db2.gz MGEMIEYKDSGWJX-IBGZPJMESA-N 1 2 346.434 3.649 50 0 EHAALO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000052163173 214120628 /nfs/dbraw/zinc/12/06/28/214120628.db2.gz ZXENZRMLAXBDCO-GFCCVEGCSA-N 1 2 328.803 3.978 50 0 EHAALO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000052163173 214120630 /nfs/dbraw/zinc/12/06/30/214120630.db2.gz ZXENZRMLAXBDCO-GFCCVEGCSA-N 1 2 328.803 3.978 50 0 EHAALO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)c3nc(C4CC4)no3)CC2)cc1 ZINC000054295111 214230892 /nfs/dbraw/zinc/23/08/92/214230892.db2.gz ZJVVRJZLYDVBIY-CQSZACIVSA-N 1 2 339.439 3.911 50 0 EHAALO Cc1ccccc1NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055087914 214271182 /nfs/dbraw/zinc/27/11/82/214271182.db2.gz YEISQUGEDDGVQW-YRNVUSSQSA-N 1 2 335.451 3.858 50 0 EHAALO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(C2SCCCS2)cc1 ZINC000061513216 214664133 /nfs/dbraw/zinc/66/41/33/214664133.db2.gz OIISSWYQFASGDV-UHFFFAOYSA-N 1 2 347.509 3.561 50 0 EHAALO Fc1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000004476627 210196589 /nfs/dbraw/zinc/19/65/89/210196589.db2.gz RHEPNOCGMNCBJO-SFHVURJKSA-N 1 2 343.450 3.893 50 0 EHAALO O=C(CC1=CSC2=[NH+]CCCN12)N1CCCCC[C@H]1c1ccco1 ZINC000102222419 219191336 /nfs/dbraw/zinc/19/13/36/219191336.db2.gz DFFHMWROTQJEDA-HNNXBMFYSA-N 1 2 345.468 3.763 50 0 EHAALO FC(F)(F)c1ccc(Cn2cc[nH+]c2-c2ccc3nonc3c2)cn1 ZINC000067490165 215153657 /nfs/dbraw/zinc/15/36/57/215153657.db2.gz SHFWUCNSPWGYRK-UHFFFAOYSA-N 1 2 345.284 3.548 50 0 EHAALO c1nc(C[N@H+](Cc2cccnc2)C[C@H]2CCCO2)oc1-c1ccccc1 ZINC000069173237 215367618 /nfs/dbraw/zinc/36/76/18/215367618.db2.gz CNSPHDHHJRYQGY-LJQANCHMSA-N 1 2 349.434 3.918 50 0 EHAALO c1nc(C[N@@H+](Cc2cccnc2)C[C@H]2CCCO2)oc1-c1ccccc1 ZINC000069173237 215367622 /nfs/dbraw/zinc/36/76/22/215367622.db2.gz CNSPHDHHJRYQGY-LJQANCHMSA-N 1 2 349.434 3.918 50 0 EHAALO O=C(Cc1cn2ccccc2[nH+]1)Nc1ccccc1N1CCCCCC1 ZINC000040051087 213255286 /nfs/dbraw/zinc/25/52/86/213255286.db2.gz OUOCNFUDURUODO-UHFFFAOYSA-N 1 2 348.450 3.896 50 0 EHAALO COc1ccc(Cl)cc1C[N@H+](C)Cc1cccc(OC)c1OC ZINC000039985874 213249453 /nfs/dbraw/zinc/24/94/53/213249453.db2.gz NRNWTUWBHCTVND-UHFFFAOYSA-N 1 2 335.831 3.998 50 0 EHAALO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cccc(OC)c1OC ZINC000039985874 213249454 /nfs/dbraw/zinc/24/94/54/213249454.db2.gz NRNWTUWBHCTVND-UHFFFAOYSA-N 1 2 335.831 3.998 50 0 EHAALO Cc1cc2[nH+]cn(CC(=O)N[C@@H](C)c3ccc(F)cc3)c2cc1C ZINC000036691617 213110121 /nfs/dbraw/zinc/11/01/21/213110121.db2.gz SLDLPCKISCYORQ-AWEZNQCLSA-N 1 2 325.387 3.670 50 0 EHAALO COc1ccccc1N1CC[N@H+](Cc2cccc(C(C)=O)c2)[C@H](C)C1 ZINC000072121685 216014710 /nfs/dbraw/zinc/01/47/10/216014710.db2.gz WKSKKROZBSMPSO-MRXNPFEDSA-N 1 2 338.451 3.609 50 0 EHAALO COc1ccccc1N1CC[N@@H+](Cc2cccc(C(C)=O)c2)[C@H](C)C1 ZINC000072121685 216014714 /nfs/dbraw/zinc/01/47/14/216014714.db2.gz WKSKKROZBSMPSO-MRXNPFEDSA-N 1 2 338.451 3.609 50 0 EHAALO COc1ccc2cc([C@H]3CN(c4cc(C)[nH+]cn4)CCO3)ccc2c1 ZINC000072424212 216213048 /nfs/dbraw/zinc/21/30/48/216213048.db2.gz VZPMJFQGIYUQAM-LJQANCHMSA-N 1 2 335.407 3.525 50 0 EHAALO CCc1cc(N[C@H](CCn2cc[nH+]c2)c2ccccc2)n2nccc2n1 ZINC000072476002 216254473 /nfs/dbraw/zinc/25/44/73/216254473.db2.gz AMIRODLZRAPGRO-GOSISDBHSA-N 1 2 346.438 3.732 50 0 EHAALO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000023748546 212392839 /nfs/dbraw/zinc/39/28/39/212392839.db2.gz DXMSYXLFNFNHKC-CQSZACIVSA-N 1 2 326.465 3.794 50 0 EHAALO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000023748546 212392844 /nfs/dbraw/zinc/39/28/44/212392844.db2.gz DXMSYXLFNFNHKC-CQSZACIVSA-N 1 2 326.465 3.794 50 0 EHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1cccc(C)c1)[NH+]1CCCC1)S2 ZINC000022852968 212329379 /nfs/dbraw/zinc/32/93/79/212329379.db2.gz OXRXORARAJCLCV-OAHLLOKOSA-N 1 2 342.468 3.552 50 0 EHAALO Cc1ccc2oc(C[N@@H+]3CCCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC000021155643 212213128 /nfs/dbraw/zinc/21/31/28/212213128.db2.gz JYMBAVHIFDGLOH-UHFFFAOYSA-N 1 2 345.443 3.579 50 0 EHAALO Cc1ccc2oc(C[N@H+]3CCCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC000021155643 212213131 /nfs/dbraw/zinc/21/31/31/212213131.db2.gz JYMBAVHIFDGLOH-UHFFFAOYSA-N 1 2 345.443 3.579 50 0 EHAALO O=C(Nc1cccc(F)c1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020495052 212140230 /nfs/dbraw/zinc/14/02/30/212140230.db2.gz VGBUTZMOWRFASD-UHFFFAOYSA-N 1 2 347.821 3.829 50 0 EHAALO Cc1ccc([C@@H](c2c(O)[nH]c(=S)[nH]c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000020156068 212107251 /nfs/dbraw/zinc/10/72/51/212107251.db2.gz SLVUYTZRPXWUTC-HNNXBMFYSA-N 1 2 345.468 3.680 50 0 EHAALO CCn1cc[nH+]c1Cn1ccc(-c2cccc(-c3cccnc3)c2)n1 ZINC000020203245 212110565 /nfs/dbraw/zinc/11/05/65/212110565.db2.gz CKTDUQLUGPZQFQ-UHFFFAOYSA-N 1 2 329.407 3.877 50 0 EHAALO COc1cc(-n2cc[nH+]c2[C@@H](C)c2ccccc2)ccc1NC(C)=O ZINC000077504593 216921638 /nfs/dbraw/zinc/92/16/38/216921638.db2.gz MJNLMHIXJBPWKC-AWEZNQCLSA-N 1 2 335.407 3.991 50 0 EHAALO C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019371396 212022855 /nfs/dbraw/zinc/02/28/55/212022855.db2.gz ULLRWJRNZXMCCJ-KRWDZBQOSA-N 1 2 347.462 3.557 50 0 EHAALO CCCC12CN3CC(C)(C[N@H+](C1)C3c1ccc(C(C)C)cc1)C2=O ZINC000019320237 212015632 /nfs/dbraw/zinc/01/56/32/212015632.db2.gz VYZYXEDISNJKMN-UHFFFAOYSA-N 1 2 326.484 3.815 50 0 biogenic EHAALO CCCC12CN3CC(C)(C[N@@H+](C1)C3c1ccc(C(C)C)cc1)C2=O ZINC000019320237 212015635 /nfs/dbraw/zinc/01/56/35/212015635.db2.gz VYZYXEDISNJKMN-UHFFFAOYSA-N 1 2 326.484 3.815 50 0 biogenic EHAALO Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000012550586 211407873 /nfs/dbraw/zinc/40/78/73/211407873.db2.gz LDVIQXRELBUGOC-QGZVFWFLSA-N 1 2 349.434 3.745 50 0 EHAALO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000010093299 211147264 /nfs/dbraw/zinc/14/72/64/211147264.db2.gz ZHTJZYSLNRVJKD-LBPRGKRZSA-N 1 2 332.494 3.855 50 0 EHAALO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000010093299 211147266 /nfs/dbraw/zinc/14/72/66/211147266.db2.gz ZHTJZYSLNRVJKD-LBPRGKRZSA-N 1 2 332.494 3.855 50 0 EHAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NC(=O)C(C)C)cc2)n1 ZINC000009573376 211102202 /nfs/dbraw/zinc/10/22/02/211102202.db2.gz IAWKMRZBXLOGNL-UHFFFAOYSA-N 1 2 341.459 3.969 50 0 EHAALO Cc1c2ccccc2oc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000009684172 211113977 /nfs/dbraw/zinc/11/39/77/211113977.db2.gz TUWDQRIRZRXRLQ-GOSISDBHSA-N 1 2 345.402 3.994 50 0 EHAALO C[C@@H]1CCC[C@H](N2CNC(Nc3nc4ccccc4s3)=[NH+]C2)[C@@H]1C ZINC000009015947 211031477 /nfs/dbraw/zinc/03/14/77/211031477.db2.gz DKVCDNJJRMBTJV-NFAWXSAZSA-N 1 2 343.500 3.709 50 0 EHAALO Cc1[nH+]ccn1-c1ccc(CNCc2csc(C(C)(C)C)n2)cn1 ZINC000095373453 218306138 /nfs/dbraw/zinc/30/61/38/218306138.db2.gz RPCQVLAJFQLMEZ-UHFFFAOYSA-N 1 2 341.484 3.620 50 0 EHAALO CSc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000008778296 211006378 /nfs/dbraw/zinc/00/63/78/211006378.db2.gz DIKPHNGMRQCFLA-NSHDSACASA-N 1 2 332.391 3.621 50 0 EHAALO CSc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000008778296 211006382 /nfs/dbraw/zinc/00/63/82/211006382.db2.gz DIKPHNGMRQCFLA-NSHDSACASA-N 1 2 332.391 3.621 50 0 EHAALO Cc1csc([C@@H](NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C2CC2)n1 ZINC000095405369 218341509 /nfs/dbraw/zinc/34/15/09/218341509.db2.gz VRKJLMSHGSNHBM-KGLIPLIRSA-N 1 2 345.472 3.563 50 0 EHAALO C[C@@H]1CCCCN1C(=O)c1ccc(NCc2[nH+]ccn2C)cc1Cl ZINC000095411966 218349312 /nfs/dbraw/zinc/34/93/12/218349312.db2.gz OVGSBYHAADLWOY-CYBMUJFWSA-N 1 2 346.862 3.700 50 0 EHAALO COc1ccc(COc2cccc(F)c2)cc1NCc1[nH]cc[nH+]1 ZINC000095428840 218371201 /nfs/dbraw/zinc/37/12/01/218371201.db2.gz HHOIOOIKSWRZKJ-UHFFFAOYSA-N 1 2 327.359 3.749 50 0 EHAALO Cc1cnc([C@@H]([NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)C2CC2)s1 ZINC000096478546 218855570 /nfs/dbraw/zinc/85/55/70/218855570.db2.gz MZCWPXBYIPTUGT-GUYCJALGSA-N 1 2 339.468 3.834 50 0 EHAALO Cc1cccc2[nH+]c(C[S@@](=O)[C@@H](C)c3ncc(C(C)(C)C)o3)cn21 ZINC000097370447 219015955 /nfs/dbraw/zinc/01/59/55/219015955.db2.gz OSTNKECIHBNATK-RZFZLAGVSA-N 1 2 345.468 3.938 50 0 EHAALO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1sc(N(C)C)nc1Cl ZINC000097413199 219022663 /nfs/dbraw/zinc/02/26/63/219022663.db2.gz SOCXSFXPYFKQLP-LLVKDONJSA-N 1 2 340.880 3.804 50 0 EHAALO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1sc(N(C)C)nc1Cl ZINC000097413199 219022665 /nfs/dbraw/zinc/02/26/65/219022665.db2.gz SOCXSFXPYFKQLP-LLVKDONJSA-N 1 2 340.880 3.804 50 0 EHAALO CCC[C@@H](NC(=O)Nc1ccc2ncsc2c1)c1[nH+]ccn1C ZINC000299759912 258077492 /nfs/dbraw/zinc/07/74/92/258077492.db2.gz OTACVZCIPKSMFW-CYBMUJFWSA-N 1 2 329.429 3.693 50 0 EHAALO CCOc1ccccc1N1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000055291938 132194253 /nfs/dbraw/zinc/19/42/53/132194253.db2.gz JSJKAUAJRSZKPL-UHFFFAOYSA-N 1 2 332.394 3.686 50 0 EHAALO Cc1cccc(C[N@@H+]2CCN(c3ccc(C)c(F)c3)C(=O)[C@@H]2C)c1 ZINC000037519535 132394026 /nfs/dbraw/zinc/39/40/26/132394026.db2.gz FWBKRDBGOULPEH-INIZCTEOSA-N 1 2 326.415 3.680 50 0 EHAALO Cc1cccc(C[N@H+]2CCN(c3ccc(C)c(F)c3)C(=O)[C@@H]2C)c1 ZINC000037519535 132394028 /nfs/dbraw/zinc/39/40/28/132394028.db2.gz FWBKRDBGOULPEH-INIZCTEOSA-N 1 2 326.415 3.680 50 0 EHAALO Cc1cccc(C[N@@H+]2CCN(c3ccc(Cl)cc3)C(=O)[C@H]2C)c1 ZINC000037519930 132394806 /nfs/dbraw/zinc/39/48/06/132394806.db2.gz WCUXIQFSTRLMIQ-OAHLLOKOSA-N 1 2 328.843 3.886 50 0 EHAALO Cc1cccc(C[N@H+]2CCN(c3ccc(Cl)cc3)C(=O)[C@H]2C)c1 ZINC000037519930 132394808 /nfs/dbraw/zinc/39/48/08/132394808.db2.gz WCUXIQFSTRLMIQ-OAHLLOKOSA-N 1 2 328.843 3.886 50 0 EHAALO CC(=O)c1cc(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)cs1 ZINC000216420681 534817339 /nfs/dbraw/zinc/81/73/39/534817339.db2.gz SDCSJELIHGEKAK-QGZVFWFLSA-N 1 2 330.453 3.527 50 0 EHAALO CC(=O)c1cc(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)cs1 ZINC000216420681 534817345 /nfs/dbraw/zinc/81/73/45/534817345.db2.gz SDCSJELIHGEKAK-QGZVFWFLSA-N 1 2 330.453 3.527 50 0 EHAALO COc1ccccc1OC1C[NH+](Cc2ccc3cc(F)ccc3n2)C1 ZINC000215498246 537087818 /nfs/dbraw/zinc/08/78/18/537087818.db2.gz HVPPOQJXPIZQRC-UHFFFAOYSA-N 1 2 338.382 3.646 50 0 EHAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1cc(C)ccc1Cl ZINC000000243126 563265280 /nfs/dbraw/zinc/26/52/80/563265280.db2.gz INPRQQRGDIPOLY-AWEZNQCLSA-N 1 2 330.815 3.746 50 0 EHAALO Cc1cc2nc([C@@H](O)Cc3[nH]c4cc(C)c(C)cc4[nH+]3)[nH]c2cc1C ZINC000000393840 563304442 /nfs/dbraw/zinc/30/44/42/563304442.db2.gz ONFFSKXHZIEBNY-SFHVURJKSA-N 1 2 334.423 3.949 50 0 EHAALO COc1ccc(N(Cc2cccs2)C(=O)[C@H](C)n2cc[nH+]c2)cc1 ZINC000071896534 563494903 /nfs/dbraw/zinc/49/49/03/563494903.db2.gz YIKDOIWNHUAHAU-AWEZNQCLSA-N 1 2 341.436 3.748 50 0 EHAALO Cc1cc(C(=O)NCCn2c(C)[nH+]c3ccccc32)c(C)n1C1CC1 ZINC000008744931 563639200 /nfs/dbraw/zinc/63/92/00/563639200.db2.gz ONNXYFIDTGBAIH-UHFFFAOYSA-N 1 2 336.439 3.528 50 0 EHAALO Cc1ccccc1[C@@H](CC(=O)N(C)CCn1cc[nH+]c1)c1ccccc1 ZINC000012444758 563661123 /nfs/dbraw/zinc/66/11/23/563661123.db2.gz XVBRTBITNTZGGD-NRFANRHFSA-N 1 2 347.462 3.872 50 0 EHAALO Cc1cccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000012993954 563683096 /nfs/dbraw/zinc/68/30/96/563683096.db2.gz HEPVXWBSIJVWBM-QGZVFWFLSA-N 1 2 344.480 3.676 50 0 EHAALO Cc1cccc(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000012993954 563683099 /nfs/dbraw/zinc/68/30/99/563683099.db2.gz HEPVXWBSIJVWBM-QGZVFWFLSA-N 1 2 344.480 3.676 50 0 EHAALO Cc1ccccc1NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000013000465 563684553 /nfs/dbraw/zinc/68/45/53/563684553.db2.gz SYKAFPMOLGKZLD-INIZCTEOSA-N 1 2 344.480 3.676 50 0 EHAALO Cc1ccccc1NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000013000465 563684554 /nfs/dbraw/zinc/68/45/54/563684554.db2.gz SYKAFPMOLGKZLD-INIZCTEOSA-N 1 2 344.480 3.676 50 0 EHAALO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000032753199 563727192 /nfs/dbraw/zinc/72/71/92/563727192.db2.gz SVUPNLAINHTQII-UHFFFAOYSA-N 1 2 346.858 3.679 50 0 EHAALO O=C(C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)NCc1cccs1 ZINC000032777643 563729177 /nfs/dbraw/zinc/72/91/77/563729177.db2.gz HPHNTCJWXCCIJR-INIZCTEOSA-N 1 2 334.872 3.855 50 0 EHAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)NCc1cccs1 ZINC000032777643 563729180 /nfs/dbraw/zinc/72/91/80/563729180.db2.gz HPHNTCJWXCCIJR-INIZCTEOSA-N 1 2 334.872 3.855 50 0 EHAALO Cc1csc(NC(=O)C[N@@H+](C)Cc2ccccc2C(F)(F)F)n1 ZINC000032804040 563741021 /nfs/dbraw/zinc/74/10/21/563741021.db2.gz VFEDAGAZWSVWAG-UHFFFAOYSA-N 1 2 343.374 3.541 50 0 EHAALO Cc1csc(NC(=O)C[N@H+](C)Cc2ccccc2C(F)(F)F)n1 ZINC000032804040 563741024 /nfs/dbraw/zinc/74/10/24/563741024.db2.gz VFEDAGAZWSVWAG-UHFFFAOYSA-N 1 2 343.374 3.541 50 0 EHAALO C[N@H+](CC(=O)NCc1cccs1)Cc1cccc(Cl)c1Cl ZINC000016376358 563809859 /nfs/dbraw/zinc/80/98/59/563809859.db2.gz PGCIHOFCXIZRGS-UHFFFAOYSA-N 1 2 343.279 3.803 50 0 EHAALO C[N@@H+](CC(=O)NCc1cccs1)Cc1cccc(Cl)c1Cl ZINC000016376358 563809863 /nfs/dbraw/zinc/80/98/63/563809863.db2.gz PGCIHOFCXIZRGS-UHFFFAOYSA-N 1 2 343.279 3.803 50 0 EHAALO Cc1sc2nc(CSc3[nH+]cc4ccccn43)nc(N)c2c1C ZINC000025029387 563879993 /nfs/dbraw/zinc/87/99/93/563879993.db2.gz HZKZAMSCICFAMG-UHFFFAOYSA-N 1 2 341.465 3.830 50 0 EHAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1OC(F)F ZINC000025177530 563881882 /nfs/dbraw/zinc/88/18/82/563881882.db2.gz DVRLLORLCNWTFL-UHFFFAOYSA-N 1 2 343.333 3.785 50 0 EHAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(C(C)(C)C)o2)cc1OC ZINC000027227856 563894983 /nfs/dbraw/zinc/89/49/83/563894983.db2.gz POPBTGIYWFRKHG-CQSZACIVSA-N 1 2 345.443 3.721 50 0 EHAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(C(C)(C)C)o2)cc1OC ZINC000027227856 563894985 /nfs/dbraw/zinc/89/49/85/563894985.db2.gz POPBTGIYWFRKHG-CQSZACIVSA-N 1 2 345.443 3.721 50 0 EHAALO CCN(C(=O)CC1CCCCC1)[C@@H](c1[nH+]ccn1C)c1cccnc1 ZINC000072275283 563903157 /nfs/dbraw/zinc/90/31/57/563903157.db2.gz SQJVULTUKOHMHN-LJQANCHMSA-N 1 2 340.471 3.723 50 0 EHAALO CCCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029723181 563908210 /nfs/dbraw/zinc/90/82/10/563908210.db2.gz PCAJNRKIXXQNNS-HNNXBMFYSA-N 1 2 334.851 3.652 50 0 EHAALO CC(C)CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029734998 563908248 /nfs/dbraw/zinc/90/82/48/563908248.db2.gz WVXAXCQJGSBBQR-INIZCTEOSA-N 1 2 348.878 3.898 50 0 EHAALO Cc1[nH+]c2cc(NC(=O)N3CC[C@@H](c4ccccc4)C3)ccc2n1C ZINC000000469759 563917620 /nfs/dbraw/zinc/91/76/20/563917620.db2.gz XDPIHARPNJRZOJ-MRXNPFEDSA-N 1 2 334.423 3.903 50 0 EHAALO Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000058355103 563943314 /nfs/dbraw/zinc/94/33/14/563943314.db2.gz NEGFYMCMBGANTL-UHFFFAOYSA-N 1 2 347.827 3.635 50 0 EHAALO Cc1c[nH+]c(C)nc1N1CCC[C@@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000067856029 563962910 /nfs/dbraw/zinc/96/29/10/563962910.db2.gz LRCMXQMDWSGRND-GOSISDBHSA-N 1 2 347.466 3.791 50 0 EHAALO O=C(NC1CCCCCC1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000033070946 563963374 /nfs/dbraw/zinc/96/33/74/563963374.db2.gz SSOSINFGDAGBMS-UHFFFAOYSA-N 1 2 340.471 3.618 50 0 EHAALO Cc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c(Cl)c1Cl ZINC000071771807 563965664 /nfs/dbraw/zinc/96/56/64/563965664.db2.gz GTYCAGRMZARSJR-AWEZNQCLSA-N 1 2 341.282 3.889 50 0 EHAALO Cc1ccc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c(Cl)c1Cl ZINC000071771807 563965665 /nfs/dbraw/zinc/96/56/65/563965665.db2.gz GTYCAGRMZARSJR-AWEZNQCLSA-N 1 2 341.282 3.889 50 0 EHAALO Cc1csc(CCn2cc[nH+]c2-c2cccc(-n3cccn3)c2)n1 ZINC000077471330 563969880 /nfs/dbraw/zinc/96/98/80/563969880.db2.gz XQBBZYXTBZOYNF-UHFFFAOYSA-N 1 2 335.436 3.743 50 0 EHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC000091364759 563975384 /nfs/dbraw/zinc/97/53/84/563975384.db2.gz OSCWKUUDUNMNPE-UHFFFAOYSA-N 1 2 341.455 3.639 50 0 EHAALO Cc1nc(-c2ccc(NC(=O)NCCCn3cc[nH+]c3)cc2)cs1 ZINC000043855330 563975451 /nfs/dbraw/zinc/97/54/51/563975451.db2.gz YDYLXCLJLWKSAU-UHFFFAOYSA-N 1 2 341.440 3.527 50 0 EHAALO Cc1cc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc[nH+]1 ZINC000119543209 563980848 /nfs/dbraw/zinc/98/08/48/563980848.db2.gz SZTXUPVTSPJRGG-FUHWJXTLSA-N 1 2 325.412 3.679 50 0 EHAALO CCc1cc(C)cc(OC[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000000242899 563989178 /nfs/dbraw/zinc/98/91/78/563989178.db2.gz APANHJUKHGWSMG-SFHVURJKSA-N 1 2 338.451 3.964 50 0 EHAALO O=C(Nc1cccnc1-c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000157077448 563996140 /nfs/dbraw/zinc/99/61/40/563996140.db2.gz YPYGHIYZRHYRCF-UHFFFAOYSA-N 1 2 347.422 3.814 50 0 EHAALO Cc1noc(C)c1C[N@@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000065487574 563998174 /nfs/dbraw/zinc/99/81/74/563998174.db2.gz GKCVCBWGOPBXMI-AWEZNQCLSA-N 1 2 335.473 3.619 50 0 EHAALO Cc1noc(C)c1C[N@H+]1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000065487574 563998175 /nfs/dbraw/zinc/99/81/75/563998175.db2.gz GKCVCBWGOPBXMI-AWEZNQCLSA-N 1 2 335.473 3.619 50 0 EHAALO c1nn(Cc2ccccc2)c2nc[nH+]c(NCCc3ccccc3)c12 ZINC000005349150 564003023 /nfs/dbraw/zinc/00/30/23/564003023.db2.gz KTKGJZOIVWECGB-UHFFFAOYSA-N 1 2 329.407 3.529 50 0 EHAALO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c(C)s1 ZINC000044889252 564027650 /nfs/dbraw/zinc/02/76/50/564027650.db2.gz DUROXGVVGODNDH-INIZCTEOSA-N 1 2 325.437 3.618 50 0 EHAALO CCOc1ccc2c(c1)sc(=S)n2C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012616550 564060644 /nfs/dbraw/zinc/06/06/44/564060644.db2.gz DJRPKESWGJCLQS-TXEJJXNPSA-N 1 2 338.498 3.898 50 0 EHAALO CCOc1ccc2c(c1)sc(=S)n2C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000012616550 564060645 /nfs/dbraw/zinc/06/06/45/564060645.db2.gz DJRPKESWGJCLQS-TXEJJXNPSA-N 1 2 338.498 3.898 50 0 EHAALO Cc1cccc(CC(=O)NCCCn2cc[nH+]c2-c2ccccc2)c1 ZINC000085555014 564073891 /nfs/dbraw/zinc/07/38/91/564073891.db2.gz ASMFCRCXIOXYCB-UHFFFAOYSA-N 1 2 333.435 3.608 50 0 EHAALO Cc1c(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)cccc1C(N)=O ZINC000075137707 564080554 /nfs/dbraw/zinc/08/05/54/564080554.db2.gz LHQIYHWRXPSFKC-UHFFFAOYSA-N 1 2 347.374 3.534 50 0 EHAALO CC(C)[C@H](C)Nc1ccc(Cl)c(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000075146564 564080754 /nfs/dbraw/zinc/08/07/54/564080754.db2.gz XKWUUENZPSBRMF-AWEZNQCLSA-N 1 2 348.878 3.813 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)Cc2ccccc2C)C1 ZINC000575615343 564083401 /nfs/dbraw/zinc/08/34/01/564083401.db2.gz DBOYLTNZQAWBFC-SFHVURJKSA-N 1 2 333.435 3.669 50 0 EHAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2c[nH]c3ccccc32)C1 ZINC000575617757 564083570 /nfs/dbraw/zinc/08/35/70/564083570.db2.gz QZGAWPFQDSXZIC-OAHLLOKOSA-N 1 2 344.418 3.913 50 0 EHAALO Clc1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c2ncccc12 ZINC000065593861 564088878 /nfs/dbraw/zinc/08/88/78/564088878.db2.gz YILWOSXKGRJVFM-HNNXBMFYSA-N 1 2 345.855 3.918 50 0 EHAALO Clc1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)c2ncccc12 ZINC000065593861 564088879 /nfs/dbraw/zinc/08/88/79/564088879.db2.gz YILWOSXKGRJVFM-HNNXBMFYSA-N 1 2 345.855 3.918 50 0 EHAALO Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC000089562784 564092869 /nfs/dbraw/zinc/09/28/69/564092869.db2.gz YEZQTCMPODNPBG-AWEZNQCLSA-N 1 2 340.452 3.535 50 0 EHAALO O=C1CCCN1Cc1ccc(CNc2cc(C(F)(F)F)cc[nH+]2)cc1 ZINC000267337261 564093098 /nfs/dbraw/zinc/09/30/98/564093098.db2.gz CSWAQYZUQITWSH-UHFFFAOYSA-N 1 2 349.356 3.835 50 0 EHAALO CCN(Cc1[nH+]ccn1Cc1cccc(Cl)c1)C(=O)CC(C)C ZINC000006723367 564096442 /nfs/dbraw/zinc/09/64/42/564096442.db2.gz PFTCEIMDSBFKPH-UHFFFAOYSA-N 1 2 333.863 3.979 50 0 EHAALO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)C(=O)Nc1ccccc1F ZINC000007004055 564102942 /nfs/dbraw/zinc/10/29/42/564102942.db2.gz KYHFKYKOEPVWOX-CQSZACIVSA-N 1 2 327.403 3.865 50 0 EHAALO Cc1cccc2sc(C(=O)N[C@H]3CCc4[nH+]ccn4C3)c(Cl)c21 ZINC000065463041 564106191 /nfs/dbraw/zinc/10/61/91/564106191.db2.gz QEJLYJFLASEUQF-NSHDSACASA-N 1 2 345.855 3.804 50 0 EHAALO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1ccccc1C(F)(F)F ZINC000065552312 564107466 /nfs/dbraw/zinc/10/74/66/564107466.db2.gz KMCGTJQUXOEPIE-UHFFFAOYSA-N 1 2 338.333 3.560 50 0 EHAALO Cc1cccn2cc(CC(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)[nH+]c12 ZINC000170610995 564109781 /nfs/dbraw/zinc/10/97/81/564109781.db2.gz XHIBGWYZMLQPJQ-RHSMWYFYSA-N 1 2 337.423 3.560 50 0 EHAALO Cc1csc(N(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C2CC2)n1 ZINC000089705707 564113259 /nfs/dbraw/zinc/11/32/59/564113259.db2.gz MZPMAEAOYWWXKY-UHFFFAOYSA-N 1 2 338.436 3.506 50 0 EHAALO Cc1csc(C[N@@H+](Cc2ccc(Cl)nc2)C[C@H]2CCCO2)n1 ZINC000076006842 564114236 /nfs/dbraw/zinc/11/42/36/564114236.db2.gz MYLVKSQZMAEHEE-CQSZACIVSA-N 1 2 337.876 3.681 50 0 EHAALO Cc1csc(C[N@H+](Cc2ccc(Cl)nc2)C[C@H]2CCCO2)n1 ZINC000076006842 564114237 /nfs/dbraw/zinc/11/42/37/564114237.db2.gz MYLVKSQZMAEHEE-CQSZACIVSA-N 1 2 337.876 3.681 50 0 EHAALO O=C(NCc1cn2ccccc2[nH+]1)Nc1ccc(N2CCCCC2)cc1 ZINC000089878894 564114668 /nfs/dbraw/zinc/11/46/68/564114668.db2.gz BGDBOOJMGWRRQU-UHFFFAOYSA-N 1 2 349.438 3.646 50 0 EHAALO O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000252482486 564119226 /nfs/dbraw/zinc/11/92/26/564119226.db2.gz DGRYJRSEINHSOG-PKOBYXMFSA-N 1 2 349.409 3.875 50 0 EHAALO O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000252482486 564119227 /nfs/dbraw/zinc/11/92/27/564119227.db2.gz DGRYJRSEINHSOG-PKOBYXMFSA-N 1 2 349.409 3.875 50 0 EHAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(F)cc1 ZINC000007927169 564125523 /nfs/dbraw/zinc/12/55/23/564125523.db2.gz NMIMPLFPRAGYEX-INIZCTEOSA-N 1 2 348.443 3.507 50 0 EHAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(F)cc1 ZINC000007927169 564125524 /nfs/dbraw/zinc/12/55/24/564125524.db2.gz NMIMPLFPRAGYEX-INIZCTEOSA-N 1 2 348.443 3.507 50 0 EHAALO O=C(c1cc(Cl)ccc1Cl)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000253399733 564130587 /nfs/dbraw/zinc/13/05/87/564130587.db2.gz JVTMENPKZCSCNM-ZDUSSCGKSA-N 1 2 337.206 3.682 50 0 EHAALO CC(C)[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccc2c(c1)OCCO2 ZINC000253419223 564130956 /nfs/dbraw/zinc/13/09/56/564130956.db2.gz HLAWQIRBEHZRIK-IBGZPJMESA-N 1 2 328.412 3.810 50 0 EHAALO O=C(Nc1ccccc1)N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000027647183 564133630 /nfs/dbraw/zinc/13/36/30/564133630.db2.gz SNTCRRMCALVGNL-UHFFFAOYSA-N 1 2 346.434 3.585 50 0 in-vitro EHAALO O=C(COc1ccc(Oc2cc[nH+]cc2)cc1)N1CCCCCC1 ZINC000079061220 564137788 /nfs/dbraw/zinc/13/77/88/564137788.db2.gz KVHBQBLUYSNVAZ-UHFFFAOYSA-N 1 2 326.396 3.655 50 0 EHAALO CN(C)c1cc(COc2ccc(OCC(F)(F)F)cc2)cc[nH+]1 ZINC000095941902 564142067 /nfs/dbraw/zinc/14/20/67/564142067.db2.gz WIPUTFPSNAQYGV-UHFFFAOYSA-N 1 2 326.318 3.668 50 0 EHAALO Cc1[nH+]ccn1CCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000095943484 564142086 /nfs/dbraw/zinc/14/20/86/564142086.db2.gz TVKYZQSHDQYAMC-UHFFFAOYSA-N 1 2 328.199 3.623 50 0 EHAALO COc1ccc([C@@H](C)[NH2+]Cc2ncc(C)o2)cc1Br ZINC000095984336 564143871 /nfs/dbraw/zinc/14/38/71/564143871.db2.gz XPYJNFKPJLEHNM-SNVBAGLBSA-N 1 2 325.206 3.605 50 0 EHAALO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000096005741 564144533 /nfs/dbraw/zinc/14/45/33/564144533.db2.gz HEHXRZMODHDBSW-OAHLLOKOSA-N 1 2 346.475 3.580 50 0 EHAALO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(C3CCC3)n2C)cc1 ZINC000096008293 564144573 /nfs/dbraw/zinc/14/45/73/564144573.db2.gz GBCRFFQLSPEGMM-SFHVURJKSA-N 1 2 340.471 3.818 50 0 EHAALO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(C3CCC3)n2C)cc1 ZINC000096008293 564144574 /nfs/dbraw/zinc/14/45/74/564144574.db2.gz GBCRFFQLSPEGMM-SFHVURJKSA-N 1 2 340.471 3.818 50 0 EHAALO Cc1cc(C(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c(C)o1 ZINC000096446435 564148267 /nfs/dbraw/zinc/14/82/67/564148267.db2.gz VJHKTHOQXQEIDA-MOPGFXCFSA-N 1 2 335.407 3.752 50 0 EHAALO COc1cc(OC)c(OC)cc1C[NH2+]Cc1csc(C(C)C)n1 ZINC000069622538 564170993 /nfs/dbraw/zinc/17/09/93/564170993.db2.gz CCAUFUKMWGMMJI-UHFFFAOYSA-N 1 2 336.457 3.582 50 0 EHAALO O=C(c1ccc(Cl)c2cccnc12)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069920606 564172825 /nfs/dbraw/zinc/17/28/25/564172825.db2.gz JVHYXDVKEPFBCM-ZDUSSCGKSA-N 1 2 340.814 3.562 50 0 EHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000076950755 564176525 /nfs/dbraw/zinc/17/65/25/564176525.db2.gz ZJOIEQHZKDKAPB-QEJZJMRPSA-N 1 2 346.452 3.709 50 0 EHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000076950755 564176526 /nfs/dbraw/zinc/17/65/26/564176526.db2.gz ZJOIEQHZKDKAPB-QEJZJMRPSA-N 1 2 346.452 3.709 50 0 EHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000076950758 564176548 /nfs/dbraw/zinc/17/65/48/564176548.db2.gz ZJOIEQHZKDKAPB-SNPRPXQTSA-N 1 2 346.452 3.709 50 0 EHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000076950758 564176549 /nfs/dbraw/zinc/17/65/49/564176549.db2.gz ZJOIEQHZKDKAPB-SNPRPXQTSA-N 1 2 346.452 3.709 50 0 EHAALO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1c1ccncc1 ZINC000084383617 1031481281 /nfs/dbraw/zinc/48/12/81/1031481281.db2.gz SNEPNWNOCZRGJE-FKIZTMCRSA-N 1 2 344.418 3.644 50 0 EHAALO Cc1cscc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000124249455 1041652003 /nfs/dbraw/zinc/65/20/03/1041652003.db2.gz UMWUYWIRIFBICK-UHFFFAOYSA-N 1 2 330.457 3.764 50 0 EHAALO Cc1cccc(-c2ncc(C[NH+]3CCC(c4ccn[nH]4)CC3)cn2)c1 ZINC000825224806 1131258443 /nfs/dbraw/zinc/25/84/43/1131258443.db2.gz YOLRAZBRHSYEQO-UHFFFAOYSA-N 1 2 333.439 3.555 50 0 EHAALO Cc1c[nH+]c(C2CN(C(=O)CC3CCCC3)C2)n1Cc1ccccc1 ZINC000581812949 1132366024 /nfs/dbraw/zinc/36/60/24/1132366024.db2.gz YIXYETPHATVJSA-UHFFFAOYSA-N 1 2 337.467 3.746 50 0 EHAALO CC(C)C[C@H](C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)n1cc[nH+]c1 ZINC000585131944 1137021026 /nfs/dbraw/zinc/02/10/26/1137021026.db2.gz KHRYTPHXBYCRFD-CQSZACIVSA-N 1 2 347.369 3.923 50 0 EHAALO CC1CCC(N(C(=O)C[NH2+]C(C)(C)c2nccs2)C2CC2)CC1 ZINC000072662371 1137489245 /nfs/dbraw/zinc/48/92/45/1137489245.db2.gz ASRRYCDTJKTEFL-UHFFFAOYSA-N 1 2 335.517 3.538 50 0 EHAALO COc1ccc(-c2nc(C[N@@H+]3CCCc4ccccc4C3)no2)cc1 ZINC000106937176 1139641498 /nfs/dbraw/zinc/64/14/98/1139641498.db2.gz VHLHLZOMVRMRMU-UHFFFAOYSA-N 1 2 335.407 3.694 50 0 EHAALO COc1ccc(-c2nc(C[N@H+]3CCCc4ccccc4C3)no2)cc1 ZINC000106937176 1139641503 /nfs/dbraw/zinc/64/15/03/1139641503.db2.gz VHLHLZOMVRMRMU-UHFFFAOYSA-N 1 2 335.407 3.694 50 0 EHAALO C[C@H]1CN(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C[C@H](C)O1 ZINC000051648217 214100119 /nfs/dbraw/zinc/10/01/19/214100119.db2.gz VAQGSQSZAPSTEF-KBPBESRZSA-N 1 2 327.384 3.515 50 0 EHAALO CCCOc1ccc(C[N@H+](CCC)Cc2nnc(C)o2)cc1OCC ZINC000053094237 214163230 /nfs/dbraw/zinc/16/32/30/214163230.db2.gz BPSRSBGRJUXBAT-UHFFFAOYSA-N 1 2 347.459 3.978 50 0 EHAALO CCCOc1ccc(C[N@@H+](CCC)Cc2nnc(C)o2)cc1OCC ZINC000053094237 214163231 /nfs/dbraw/zinc/16/32/31/214163231.db2.gz BPSRSBGRJUXBAT-UHFFFAOYSA-N 1 2 347.459 3.978 50 0 EHAALO Cc1cc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Cl)cc(Cl)c2)no1 ZINC000053116715 214164504 /nfs/dbraw/zinc/16/45/04/214164504.db2.gz UFHYNAUIWSDVGU-JTQLQIEISA-N 1 2 342.226 3.749 50 0 EHAALO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)no1 ZINC000053116715 214164507 /nfs/dbraw/zinc/16/45/07/214164507.db2.gz UFHYNAUIWSDVGU-JTQLQIEISA-N 1 2 342.226 3.749 50 0 EHAALO Cc1ccc([C@H](CC(=O)NCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000055090508 214272261 /nfs/dbraw/zinc/27/22/61/214272261.db2.gz ADYPZJBFNSFNJQ-HXUWFJFHSA-N 1 2 333.435 3.530 50 0 EHAALO COc1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)C(C)C)cc1Cl ZINC000097743218 219053645 /nfs/dbraw/zinc/05/36/45/219053645.db2.gz UVHLCIAOZCEGPA-AWEZNQCLSA-N 1 2 336.823 3.601 50 0 EHAALO COCC[N@H+](C/C=C/c1ccccc1)Cc1nc2ccccc2n1C ZINC000055385813 214316028 /nfs/dbraw/zinc/31/60/28/214316028.db2.gz BDCNEBWTAUZTTG-DHZHZOJOSA-N 1 2 335.451 3.735 50 0 EHAALO COCC[N@@H+](C/C=C/c1ccccc1)Cc1nc2ccccc2n1C ZINC000055385813 214316031 /nfs/dbraw/zinc/31/60/31/214316031.db2.gz BDCNEBWTAUZTTG-DHZHZOJOSA-N 1 2 335.451 3.735 50 0 EHAALO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000098013896 219068852 /nfs/dbraw/zinc/06/88/52/219068852.db2.gz RXJOYOFOLXDJPT-CRAIPNDOSA-N 1 2 326.396 3.505 50 0 EHAALO c1cn(CCCn2cnc(-c3ccccc3)c2-c2ccncc2)c[nH+]1 ZINC000065398492 214891315 /nfs/dbraw/zinc/89/13/15/214891315.db2.gz TXLDHDLRRWJPOX-UHFFFAOYSA-N 1 2 329.407 3.899 50 0 EHAALO CC(=O)c1cccc(NC(=O)[C@H]([NH2+]Cc2ccco2)c2ccccc2)c1 ZINC000003453890 210044744 /nfs/dbraw/zinc/04/47/44/210044744.db2.gz KPXACSGBXHNGTH-HXUWFJFHSA-N 1 2 348.402 3.952 50 0 EHAALO Cc1ccc(C[N@@H+](Cn2nc(C(C)(C)C)ccc2=O)C(C)C)s1 ZINC000066793052 215079753 /nfs/dbraw/zinc/07/97/53/215079753.db2.gz ZMRVXJWZDSAAAB-UHFFFAOYSA-N 1 2 333.501 3.779 50 0 EHAALO Cc1ccc(C[N@H+](Cn2nc(C(C)(C)C)ccc2=O)C(C)C)s1 ZINC000066793052 215079756 /nfs/dbraw/zinc/07/97/56/215079756.db2.gz ZMRVXJWZDSAAAB-UHFFFAOYSA-N 1 2 333.501 3.779 50 0 EHAALO c1[nH]c2c([nH+]1)CCN(Cc1cccnc1)[C@@H]2c1cc2ccccc2o1 ZINC000067803743 215216420 /nfs/dbraw/zinc/21/64/20/215216420.db2.gz VPUATVMLOSFKGQ-HXUWFJFHSA-N 1 2 330.391 3.699 50 0 EHAALO c1ccc(CCc2nc(Cn3c4ccccc4[nH+]c3C3CC3)n[nH]2)cc1 ZINC000067919578 215250018 /nfs/dbraw/zinc/25/00/18/215250018.db2.gz WSEZVXXBLZTUME-UHFFFAOYSA-N 1 2 343.434 3.865 50 0 EHAALO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1nc2ccccc2[nH]1 ZINC000067954541 215258741 /nfs/dbraw/zinc/25/87/41/215258741.db2.gz KCHICYPSCNITMO-UHFFFAOYSA-N 1 2 335.386 3.724 50 0 EHAALO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1nc2ccccc2[nH]1 ZINC000067954541 215258744 /nfs/dbraw/zinc/25/87/44/215258744.db2.gz KCHICYPSCNITMO-UHFFFAOYSA-N 1 2 335.386 3.724 50 0 EHAALO CCn1c(C)nnc1C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000181642397 234264790 /nfs/dbraw/zinc/26/47/90/234264790.db2.gz MOJLBFHDPSUUSC-QMMMGPOBSA-N 1 2 331.222 3.903 50 0 EHAALO Cc1ccn2cc(CNC(=O)c3cc4ccc(F)cc4nc3C)[nH+]c2c1 ZINC000040157626 213276178 /nfs/dbraw/zinc/27/61/78/213276178.db2.gz AYHIRIKBFPARQQ-UHFFFAOYSA-N 1 2 348.381 3.568 50 0 EHAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1nc2ccccc2s1 ZINC000040118800 213268127 /nfs/dbraw/zinc/26/81/27/213268127.db2.gz QLVFFIVSZJGPLT-CQSZACIVSA-N 1 2 343.456 3.729 50 0 EHAALO O=C(OCc1cc(-c2ccco2)on1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038767604 213225481 /nfs/dbraw/zinc/22/54/81/213225481.db2.gz AOMNOLACGVQJAO-UHFFFAOYSA-N 1 2 349.346 3.536 50 0 EHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Cl)s1)c1ccccc1F ZINC000036692704 213109974 /nfs/dbraw/zinc/10/99/74/213109974.db2.gz CKMDXMQLASJTMT-CQSZACIVSA-N 1 2 349.818 3.794 50 0 EHAALO COc1cccc(OC2C[NH+](Cc3cccc(OC(F)F)c3)C2)c1 ZINC000072144280 216030774 /nfs/dbraw/zinc/03/07/74/216030774.db2.gz KNMQWAQIJVPJMQ-UHFFFAOYSA-N 1 2 335.350 3.560 50 0 EHAALO Cn1c([C@@H]2c3[nH]c[nH+]c3CCN2Cc2ccco2)cc2ccccc21 ZINC000072152384 216041529 /nfs/dbraw/zinc/04/15/29/216041529.db2.gz QFADXKIGBRMYKC-HXUWFJFHSA-N 1 2 332.407 3.642 50 0 EHAALO O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000072155942 216045959 /nfs/dbraw/zinc/04/59/59/216045959.db2.gz VHTFOFWELWIGDV-AWEZNQCLSA-N 1 2 334.370 3.638 50 0 EHAALO CCc1nc2cc(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2o1 ZINC000072287664 216120204 /nfs/dbraw/zinc/12/02/04/216120204.db2.gz WWEKNHLHIFCJLC-LBPRGKRZSA-N 1 2 339.399 3.525 50 0 EHAALO O=C(Nc1ccc(Br)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000072314267 216149443 /nfs/dbraw/zinc/14/94/43/216149443.db2.gz IEKKCDASBOJAGE-CYBMUJFWSA-N 1 2 349.232 3.931 50 0 EHAALO C[C@H](c1cccs1)[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000023762518 212394819 /nfs/dbraw/zinc/39/48/19/212394819.db2.gz FOMUOJYDERDZAJ-SNVBAGLBSA-N 1 2 345.493 3.728 50 0 EHAALO C[C@H](c1cccs1)[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000023762518 212394822 /nfs/dbraw/zinc/39/48/22/212394822.db2.gz FOMUOJYDERDZAJ-SNVBAGLBSA-N 1 2 345.493 3.728 50 0 EHAALO Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000023379494 212372122 /nfs/dbraw/zinc/37/21/22/212372122.db2.gz WCGUQSICIXECDX-RMKNXTFCSA-N 1 2 334.463 3.775 50 0 EHAALO COc1ccc(NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000023234917 212362403 /nfs/dbraw/zinc/36/24/03/212362403.db2.gz FTSSCICXALDSBA-CQSZACIVSA-N 1 2 336.395 3.764 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCc1noc(COc2ccccc2)n1 ZINC000022732845 212319793 /nfs/dbraw/zinc/31/97/93/212319793.db2.gz WIJYNFNEOAYHGX-UHFFFAOYSA-N 1 2 334.379 3.549 50 0 EHAALO OCCC[N@H+](Cc1nc(-c2ccccc2)cs1)Cc1ccncc1 ZINC000216232026 241174290 /nfs/dbraw/zinc/17/42/90/241174290.db2.gz WXIWBPLFDWYRGI-UHFFFAOYSA-N 1 2 339.464 3.590 50 0 EHAALO OCCC[N@@H+](Cc1nc(-c2ccccc2)cs1)Cc1ccncc1 ZINC000216232026 241174297 /nfs/dbraw/zinc/17/42/97/241174297.db2.gz WXIWBPLFDWYRGI-UHFFFAOYSA-N 1 2 339.464 3.590 50 0 EHAALO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)cc1 ZINC000020861055 212178031 /nfs/dbraw/zinc/17/80/31/212178031.db2.gz XGMHKSCMMZQMIY-INIZCTEOSA-N 1 2 325.456 3.802 50 0 EHAALO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)cc1 ZINC000020861055 212178035 /nfs/dbraw/zinc/17/80/35/212178035.db2.gz XGMHKSCMMZQMIY-INIZCTEOSA-N 1 2 325.456 3.802 50 0 EHAALO COC[C@H](c1ccccn1)N(C)Cc1c[nH+]cn1C1CCCCC1 ZINC000244794988 243086790 /nfs/dbraw/zinc/08/67/90/243086790.db2.gz QXOOBYSZRALIDR-LJQANCHMSA-N 1 2 328.460 3.603 50 0 EHAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NCc1ccco1 ZINC000020661997 212159924 /nfs/dbraw/zinc/15/99/24/212159924.db2.gz RIXAVSNKQHZAQM-UHFFFAOYSA-N 1 2 339.786 3.982 50 0 EHAALO O=C(c1cccc2ccccc21)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019790063 212066964 /nfs/dbraw/zinc/06/69/64/212066964.db2.gz XHJADPYMPVXWJO-UHFFFAOYSA-N 1 2 348.421 3.937 50 0 EHAALO CC(C)c1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019594671 212050173 /nfs/dbraw/zinc/05/01/73/212050173.db2.gz JFNVJWAJVRHCLG-UHFFFAOYSA-N 1 2 338.451 3.895 50 0 EHAALO Brc1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000080948616 217344131 /nfs/dbraw/zinc/34/41/31/217344131.db2.gz PFWOAEBWEFDHEI-UHFFFAOYSA-N 1 2 343.228 3.701 50 0 EHAALO Cc1cc(C)c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)o1 ZINC000087258919 217722368 /nfs/dbraw/zinc/72/23/68/217722368.db2.gz XEOUULAPIQUZHT-QZTJIDSGSA-N 1 2 335.407 3.752 50 0 EHAALO O=C(CCC(F)(F)F)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091391183 218000473 /nfs/dbraw/zinc/00/04/73/218000473.db2.gz DUMUHXHFUSKPAA-UHFFFAOYSA-N 1 2 343.393 3.732 50 0 EHAALO Cc1cc2cc(C(=O)N(C)Cc3c(C)[nH+]c4ccccn43)ccc2o1 ZINC000091469064 218010560 /nfs/dbraw/zinc/01/05/60/218010560.db2.gz ZKSPYJMCOVIDDI-UHFFFAOYSA-N 1 2 333.391 3.970 50 0 EHAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC000091650916 218039852 /nfs/dbraw/zinc/03/98/52/218039852.db2.gz CWOQBERUOPDBMX-OAHLLOKOSA-N 1 2 331.847 3.885 50 0 EHAALO Cn1ncc2c1nc[nH+]c2SCc1csc(-c2ccsc2)n1 ZINC000011685394 211234475 /nfs/dbraw/zinc/23/44/75/211234475.db2.gz LUUZTXUALZKMOT-UHFFFAOYSA-N 1 2 345.478 3.841 50 0 EHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)NCc1c(F)cccc1Cl ZINC000091894514 218085402 /nfs/dbraw/zinc/08/54/02/218085402.db2.gz NTKFHQKSBVKKNK-UHFFFAOYSA-N 1 2 343.789 3.659 50 0 EHAALO Cc1[nH]c2ccc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)cc2[nH+]1 ZINC000010896846 211194420 /nfs/dbraw/zinc/19/44/20/211194420.db2.gz KODSJIHVQBHJMW-UHFFFAOYSA-N 1 2 348.410 3.758 50 0 EHAALO Cc1[nH]c2cc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)ccc2[nH+]1 ZINC000010896846 211194424 /nfs/dbraw/zinc/19/44/24/211194424.db2.gz KODSJIHVQBHJMW-UHFFFAOYSA-N 1 2 348.410 3.758 50 0 EHAALO COc1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)c(Cl)c1OC ZINC000092729993 218162752 /nfs/dbraw/zinc/16/27/52/218162752.db2.gz ITCGQULFJUDKDA-ZDUSSCGKSA-N 1 2 335.835 3.808 50 0 EHAALO COc1ccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)c1OC ZINC000092729990 218163039 /nfs/dbraw/zinc/16/30/39/218163039.db2.gz ITCGQULFJUDKDA-CYBMUJFWSA-N 1 2 335.835 3.808 50 0 EHAALO COc1ccc2oc(C[N@@H+]3CCO[C@H](c4nc(C)cs4)C3)cc2c1 ZINC000092790398 218167327 /nfs/dbraw/zinc/16/73/27/218167327.db2.gz KMDKBOAOWYHPOJ-KRWDZBQOSA-N 1 2 344.436 3.780 50 0 EHAALO COc1ccc2oc(C[N@H+]3CCO[C@H](c4nc(C)cs4)C3)cc2c1 ZINC000092790398 218167328 /nfs/dbraw/zinc/16/73/28/218167328.db2.gz KMDKBOAOWYHPOJ-KRWDZBQOSA-N 1 2 344.436 3.780 50 0 EHAALO Cc1cc(C)cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c1 ZINC000009367320 211076005 /nfs/dbraw/zinc/07/60/05/211076005.db2.gz UZMYDQULXJCGBE-GOSISDBHSA-N 1 2 337.398 3.695 50 0 EHAALO O=C(NCCc1c[nH+]c[nH]1)c1csc2ccc(C(F)(F)F)cc12 ZINC000094993218 218271805 /nfs/dbraw/zinc/27/18/05/218271805.db2.gz JPOGOENYBIUYFB-UHFFFAOYSA-N 1 2 339.342 3.616 50 0 EHAALO O=C(NCCc1c[nH]c[nH+]1)c1csc2ccc(C(F)(F)F)cc12 ZINC000094993218 218271808 /nfs/dbraw/zinc/27/18/08/218271808.db2.gz JPOGOENYBIUYFB-UHFFFAOYSA-N 1 2 339.342 3.616 50 0 EHAALO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1csc(N(C)C)n1 ZINC000095423561 218365788 /nfs/dbraw/zinc/36/57/88/218365788.db2.gz UXATYZFVZMEDTP-SNVBAGLBSA-N 1 2 325.865 3.722 50 0 EHAALO CC(C)CN(C(=O)C[N@H+](Cc1ccco1)Cc1cccs1)C1CC1 ZINC000097474303 219027803 /nfs/dbraw/zinc/02/78/03/219027803.db2.gz LHTOWTZADGSXTP-UHFFFAOYSA-N 1 2 346.496 3.990 50 0 EHAALO CC(C)CN(C(=O)C[N@@H+](Cc1ccco1)Cc1cccs1)C1CC1 ZINC000097474303 219027804 /nfs/dbraw/zinc/02/78/04/219027804.db2.gz LHTOWTZADGSXTP-UHFFFAOYSA-N 1 2 346.496 3.990 50 0 EHAALO Cc1cc(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc[nH+]1 ZINC000119543589 257974640 /nfs/dbraw/zinc/97/46/40/257974640.db2.gz SZTXUPVTSPJRGG-AEFFLSMTSA-N 1 2 325.412 3.679 50 0 EHAALO CCCN(Cc1[nH+]ccn1C)C(=O)Nc1cc(C)c(F)cc1Cl ZINC000299775329 258086219 /nfs/dbraw/zinc/08/62/19/258086219.db2.gz DGJFQOGISUTGMU-UHFFFAOYSA-N 1 2 338.814 3.965 50 0 EHAALO Cc1[nH]c2ccc(NC(=O)N(C)[C@@H](C)Cc3ncccc3C)cc2[nH+]1 ZINC000299776850 258087035 /nfs/dbraw/zinc/08/70/35/258087035.db2.gz HPKGAGSDJCEHBW-ZDUSSCGKSA-N 1 2 337.427 3.670 50 0 EHAALO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cncs1 ZINC000299802042 258104974 /nfs/dbraw/zinc/10/49/74/258104974.db2.gz RISAKZCZRLUISU-OAHLLOKOSA-N 1 2 349.887 3.754 50 0 EHAALO Cc1cc2[nH+]cn(C[C@@H](O)COc3cccc(Cl)c3)c2cc1C ZINC000000181004 563254118 /nfs/dbraw/zinc/25/41/18/563254118.db2.gz KRQUDZKPAUWLMS-OAHLLOKOSA-N 1 2 330.815 3.746 50 0 EHAALO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(F)cc3)n2)CC1 ZINC000014137202 563744093 /nfs/dbraw/zinc/74/40/93/563744093.db2.gz ATYNFSQYULDGQG-UHFFFAOYSA-N 1 2 333.432 3.766 50 0 EHAALO c1ccc(NCCNc2nc(-c3ccncc3)nc3ccccc32)[nH+]c1 ZINC000032899822 563785697 /nfs/dbraw/zinc/78/56/97/563785697.db2.gz VPPFXDMNQSYECM-UHFFFAOYSA-N 1 2 342.406 3.611 50 0 EHAALO O=c1[nH]c(C[NH2+][C@H](c2cccs2)c2ccccc2)nc2ccccc12 ZINC000024001861 563868149 /nfs/dbraw/zinc/86/81/49/563868149.db2.gz RYDJBFDFOCLXHA-IBGZPJMESA-N 1 2 347.443 3.864 50 0 EHAALO c1ccc2[nH+]c(C3CCN(c4ncnc5ccccc54)CC3)[nH]c2c1 ZINC000025713110 563887684 /nfs/dbraw/zinc/88/76/84/563887684.db2.gz YYQLDOOAFHBVSO-UHFFFAOYSA-N 1 2 329.407 3.890 50 0 EHAALO c1ccc2[nH+]c(C3CCN(c4cnc5ccccc5n4)CC3)[nH]c2c1 ZINC000026140819 563890133 /nfs/dbraw/zinc/89/01/33/563890133.db2.gz VWPFKQAWTOCNBP-UHFFFAOYSA-N 1 2 329.407 3.890 50 0 EHAALO CCc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)sc1C ZINC000030029578 563909376 /nfs/dbraw/zinc/90/93/76/563909376.db2.gz QNJJLOHJCHIKOK-QGZVFWFLSA-N 1 2 328.481 3.748 50 0 EHAALO CCc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)sc1C ZINC000030029578 563909377 /nfs/dbraw/zinc/90/93/77/563909377.db2.gz QNJJLOHJCHIKOK-QGZVFWFLSA-N 1 2 328.481 3.748 50 0 EHAALO CCN(Cc1cccc(-c2ccncc2)c1)C(=O)CCCn1cc[nH+]c1 ZINC000072295535 563912085 /nfs/dbraw/zinc/91/20/85/563912085.db2.gz OHZQSTMBKXPXRK-UHFFFAOYSA-N 1 2 348.450 3.774 50 0 EHAALO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@@H]1c1cccs1 ZINC000071820822 563923202 /nfs/dbraw/zinc/92/32/02/563923202.db2.gz WNLHWHLRKZEYBW-HZPDHXFCSA-N 1 2 341.480 3.723 50 0 EHAALO COc1cc[nH+]cc1NC(=O)c1cc(Br)ccc1Cl ZINC000058367307 563944032 /nfs/dbraw/zinc/94/40/32/563944032.db2.gz HRHPYDCGYHAAJR-UHFFFAOYSA-N 1 2 341.592 3.758 50 0 EHAALO C[C@@H](NC(=O)CCc1ccsc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432075 563952726 /nfs/dbraw/zinc/95/27/26/563952726.db2.gz CSFYUUCJJKJWOQ-CQSZACIVSA-N 1 2 325.437 3.744 50 0 EHAALO Fc1ccc(-c2csc(N3CCC(n4cc[nH+]c4)CC3)n2)cc1 ZINC000096462057 563954186 /nfs/dbraw/zinc/95/41/86/563954186.db2.gz WXYDMKZOWRGSCY-UHFFFAOYSA-N 1 2 328.416 3.987 50 0 EHAALO Cc1cc(C)cc(CCC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC000065376153 563958930 /nfs/dbraw/zinc/95/89/30/563958930.db2.gz JUQXSIFISZEYDY-UHFFFAOYSA-N 1 2 338.451 3.701 50 0 EHAALO CCC1=NO[C@@H](Cn2cnc(-c3ccccc3)c2-c2c[nH+]cn2CC)C1 ZINC000065403527 563959984 /nfs/dbraw/zinc/95/99/84/563959984.db2.gz KDLVNOKFGNCEJW-QGZVFWFLSA-N 1 2 349.438 3.988 50 0 EHAALO c1[nH+]c(-c2ccccc2)c([C@H]2CCOC2)n1CCCNc1cccnc1 ZINC000065534849 563961991 /nfs/dbraw/zinc/96/19/91/563961991.db2.gz GZHGDYHDOVSDDI-SFHVURJKSA-N 1 2 348.450 3.951 50 0 EHAALO CCc1c[nH+]c(C)nc1N1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067714201 563962578 /nfs/dbraw/zinc/96/25/78/563962578.db2.gz NZWNLMVAGATLHA-UHFFFAOYSA-N 1 2 338.386 3.704 50 0 EHAALO Cc1c[nH+]c(C)nc1N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071419064 563964363 /nfs/dbraw/zinc/96/43/63/563964363.db2.gz PCBCAYFWKHWYNM-HNNXBMFYSA-N 1 2 338.238 3.978 50 0 EHAALO CC(=O)c1ccc(NC(=O)CSc2[nH+]ccc3c2ccn3C)cc1 ZINC000033171544 563964431 /nfs/dbraw/zinc/96/44/31/563964431.db2.gz NDGIYMMILXCDRU-UHFFFAOYSA-N 1 2 339.420 3.507 50 0 EHAALO CCOc1cc2c(cc1-c1[nH+]ccn1Cc1cnn(C)c1C)CCC2 ZINC000071745908 563964951 /nfs/dbraw/zinc/96/49/51/563964951.db2.gz QWJSORKGYGILGR-UHFFFAOYSA-N 1 2 336.439 3.528 50 0 EHAALO CC(=O)Nc1ccc(-c2[nH+]ccn2CCc2nc3ccccc3[nH]2)cc1 ZINC000071776355 563965763 /nfs/dbraw/zinc/96/57/63/563965763.db2.gz KOKHQPRBYPDWPF-UHFFFAOYSA-N 1 2 345.406 3.628 50 0 EHAALO CC(C)(C)C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)C(F)(F)F ZINC000097136419 563968123 /nfs/dbraw/zinc/96/81/23/563968123.db2.gz OBQRVNPPCMBTDX-CYBMUJFWSA-N 1 2 346.397 3.597 50 0 EHAALO CN(Cc1cccc2cnccc21)c1ccc(Cn2cc[nH+]c2)cn1 ZINC000077488604 563969960 /nfs/dbraw/zinc/96/99/60/563969960.db2.gz JSPAQJJLJFHZQD-UHFFFAOYSA-N 1 2 329.407 3.511 50 0 EHAALO O=C(CCc1cccs1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082092257 563972070 /nfs/dbraw/zinc/97/20/70/563972070.db2.gz MKFJWMQIOCGLAW-MRXNPFEDSA-N 1 2 343.496 3.693 50 0 EHAALO Cn1cc[nH+]c1CC[C@H]1CCCCN1C(=O)CCCc1cccs1 ZINC000082099707 563972267 /nfs/dbraw/zinc/97/22/67/563972267.db2.gz SUPZXUHLHXUUKX-MRXNPFEDSA-N 1 2 345.512 3.818 50 0 EHAALO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)ccc1F ZINC000082109246 563972380 /nfs/dbraw/zinc/97/23/80/563972380.db2.gz DKGBNTXZVDXYJX-KRWDZBQOSA-N 1 2 341.430 3.760 50 0 EHAALO O=C(C1CCCCCC1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082121793 563972520 /nfs/dbraw/zinc/97/25/20/563972520.db2.gz AXQRYOADMGVTKE-UHFFFAOYSA-N 1 2 329.488 3.970 50 0 EHAALO Cc1ccc(CC(=O)N2CCC(c3[nH+]ccn3CC3CC3)CC2)cc1 ZINC000082147393 563972701 /nfs/dbraw/zinc/97/27/01/563972701.db2.gz MPFGBUDBSDZCMI-UHFFFAOYSA-N 1 2 337.467 3.550 50 0 EHAALO CCN(CC)C(=O)N[C@H](Cc1[nH+]ccn1C(F)F)c1ccccc1 ZINC000585142210 563973431 /nfs/dbraw/zinc/97/34/31/563973431.db2.gz RMKNFENSOQAKFX-CQSZACIVSA-N 1 2 336.386 3.613 50 0 EHAALO COc1cccc2c1OCCCN(C(=O)Nc1ccc(C)[nH+]c1C)C2 ZINC000096180643 563980069 /nfs/dbraw/zinc/98/00/69/563980069.db2.gz XLKTXWYOZOICOZ-UHFFFAOYSA-N 1 2 341.411 3.524 50 0 EHAALO CCn1ccc2cc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)ccc21 ZINC000097642250 563981762 /nfs/dbraw/zinc/98/17/62/563981762.db2.gz QHWNOGZBKPZCNW-GOSISDBHSA-N 1 2 338.455 3.702 50 0 EHAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000000307174 563990875 /nfs/dbraw/zinc/99/08/75/563990875.db2.gz AIEJWMXDWGPCOQ-CQSZACIVSA-N 1 2 330.815 3.692 50 0 EHAALO COc1ccccc1CNc1[nH+]cnc2c1cnn2-c1cccc(C)c1 ZINC000000426474 563999016 /nfs/dbraw/zinc/99/90/16/563999016.db2.gz NGQKPDZGYNWHTO-UHFFFAOYSA-N 1 2 345.406 3.745 50 0 EHAALO C(=C\c1ccccc1)\c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000103135843 564021454 /nfs/dbraw/zinc/02/14/54/564021454.db2.gz FYEVYKPPBRACCA-KHPPLWFESA-N 1 2 339.468 3.732 50 0 EHAALO C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047249358 564025989 /nfs/dbraw/zinc/02/59/89/564025989.db2.gz JYGDCBPFINDLSK-HNNXBMFYSA-N 1 2 337.398 3.904 50 0 EHAALO c1coc(-c2nnc(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)o2)c1 ZINC000044871440 564027229 /nfs/dbraw/zinc/02/72/29/564027229.db2.gz OBWHBZMVACRWJK-CYBMUJFWSA-N 1 2 345.424 3.572 50 0 EHAALO c1coc(-c2nnc(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)o2)c1 ZINC000044871440 564027230 /nfs/dbraw/zinc/02/72/30/564027230.db2.gz OBWHBZMVACRWJK-CYBMUJFWSA-N 1 2 345.424 3.572 50 0 EHAALO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)c(C)s1 ZINC000044890306 564027667 /nfs/dbraw/zinc/02/76/67/564027667.db2.gz KLVVNAMMDCLSMS-INIZCTEOSA-N 1 2 343.427 3.757 50 0 EHAALO O=C(CCCc1cccs1)N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000012538865 564058510 /nfs/dbraw/zinc/05/85/10/564058510.db2.gz NWOKIROWXGOTIP-KRWDZBQOSA-N 1 2 339.464 3.894 50 0 EHAALO CC(=O)N(C)c1cccc(NCc2c[nH+]c(C)n2-c2ccccc2)c1 ZINC000084049960 564065940 /nfs/dbraw/zinc/06/59/40/564065940.db2.gz DQDCUHVOSXKFQY-UHFFFAOYSA-N 1 2 334.423 3.776 50 0 EHAALO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000084148728 564067011 /nfs/dbraw/zinc/06/70/11/564067011.db2.gz GBCITEVTVQYJNI-MJGOQNOKSA-N 1 2 340.471 3.764 50 0 EHAALO Cc1cccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000012755357 564067216 /nfs/dbraw/zinc/06/72/16/564067216.db2.gz KTNVVOFZHSJYMW-UHFFFAOYSA-N 1 2 329.469 3.936 50 0 EHAALO O=C(NCCc1ccccc1)Nc1cccc(-c2c[nH+]c3n2CCC3)c1 ZINC000085471577 564073477 /nfs/dbraw/zinc/07/34/77/564073477.db2.gz ZTHFPLSDHFWLMM-UHFFFAOYSA-N 1 2 346.434 3.861 50 0 EHAALO C[C@@H]1CN(C(=O)NCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000074818252 564079401 /nfs/dbraw/zinc/07/94/01/564079401.db2.gz QFCBGGFZSDNAAV-MRXNPFEDSA-N 1 2 346.434 3.765 50 0 EHAALO C[C@H](c1nc2ccccc2o1)[N@@H+](Cc1cccnc1)C[C@H]1CCCO1 ZINC000241694000 564088416 /nfs/dbraw/zinc/08/84/16/564088416.db2.gz QJOSPSPCOTWACS-NVXWUHKLSA-N 1 2 337.423 3.965 50 0 EHAALO C[C@H](c1nc2ccccc2o1)[N@H+](Cc1cccnc1)C[C@H]1CCCO1 ZINC000241694000 564088417 /nfs/dbraw/zinc/08/84/17/564088417.db2.gz QJOSPSPCOTWACS-NVXWUHKLSA-N 1 2 337.423 3.965 50 0 EHAALO Cc1[nH+]c2cc(CNC(=O)Cc3coc4cc(C)ccc34)ccc2n1C ZINC000426545219 564094074 /nfs/dbraw/zinc/09/40/74/564094074.db2.gz VKBWHYGEXMGKEH-UHFFFAOYSA-N 1 2 347.418 3.795 50 0 EHAALO CCc1cc(Cl)ccc1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000426674371 564094339 /nfs/dbraw/zinc/09/43/39/564094339.db2.gz YOYDBAHLUQBWBT-HNNXBMFYSA-N 1 2 332.835 3.909 50 0 EHAALO C[C@H](c1nc(C2CC2)no1)N1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000065588035 564107821 /nfs/dbraw/zinc/10/78/21/564107821.db2.gz KOWCZHGTORXSCV-UONOGXRCSA-N 1 2 344.434 3.526 50 0 EHAALO O=C(c1ccc(-n2cc[nH+]c2)nc1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000065593440 564107978 /nfs/dbraw/zinc/10/79/78/564107978.db2.gz CEJSESXVAFEMOT-IBGZPJMESA-N 1 2 344.418 3.559 50 0 EHAALO COc1ccc(CNc2[nH+]c3c(cccc3Cl)n2C)cc1OC ZINC000170596735 564109101 /nfs/dbraw/zinc/10/91/01/564109101.db2.gz PJKWUJZGGFAREQ-UHFFFAOYSA-N 1 2 331.803 3.856 50 0 EHAALO CC(C)c1ccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000013325077 564111519 /nfs/dbraw/zinc/11/15/19/564111519.db2.gz RPMRTCIINRLWPR-UHFFFAOYSA-N 1 2 338.455 3.555 50 0 EHAALO CCCn1ccc2cc(NC(=O)N(C)CCCn3cc[nH+]c3)ccc21 ZINC000089960756 564115931 /nfs/dbraw/zinc/11/59/31/564115931.db2.gz FBBZQNWVNFPMMM-UHFFFAOYSA-N 1 2 339.443 3.802 50 0 EHAALO c1cn(-c2cc(N3CCCC[C@@H]3c3cc4ccccc4[nH]3)ncn2)c[nH+]1 ZINC000170664993 564121309 /nfs/dbraw/zinc/12/13/09/564121309.db2.gz OZBQMZGDQVOFOJ-GOSISDBHSA-N 1 2 344.422 3.875 50 0 EHAALO O=C(CCCc1c[nH]c2ccccc12)OCc1c[nH+]c2ccccn12 ZINC000079059675 564137783 /nfs/dbraw/zinc/13/77/83/564137783.db2.gz ASBRQFFFMRFANJ-UHFFFAOYSA-N 1 2 333.391 3.882 50 0 EHAALO Cc1ccc([C@@H]2C[N@H+](Cc3cnc(-c4ccccn4)s3)CCO2)o1 ZINC000093865175 564138050 /nfs/dbraw/zinc/13/80/50/564138050.db2.gz GPJOWQHVCNFODC-KRWDZBQOSA-N 1 2 341.436 3.680 50 0 EHAALO Cc1ccc([C@@H]2C[N@@H+](Cc3cnc(-c4ccccn4)s3)CCO2)o1 ZINC000093865175 564138051 /nfs/dbraw/zinc/13/80/51/564138051.db2.gz GPJOWQHVCNFODC-KRWDZBQOSA-N 1 2 341.436 3.680 50 0 EHAALO Cc1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)nn1[C@@H](C)C1CC1 ZINC000390833739 564138851 /nfs/dbraw/zinc/13/88/51/564138851.db2.gz MCRMIJNCJWMYRT-AWEZNQCLSA-N 1 2 335.411 3.601 50 0 EHAALO CCOc1ccccc1NC(=O)N(CC)Cc1c[nH+]c2ccccn12 ZINC000096025076 564144906 /nfs/dbraw/zinc/14/49/06/564144906.db2.gz YZVZDZMESSHYTI-UHFFFAOYSA-N 1 2 338.411 3.787 50 0 EHAALO O=C(CSC1CCCC1)NCCCn1cc[nH+]c1-c1ccccc1 ZINC000096026008 564144927 /nfs/dbraw/zinc/14/49/27/564144927.db2.gz WTPNGDDNEFGIJH-UHFFFAOYSA-N 1 2 343.496 3.732 50 0 EHAALO O=C1OCCN1c1ccc(NCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000096482748 564148621 /nfs/dbraw/zinc/14/86/21/564148621.db2.gz GYCSPIXMGWZRPH-UHFFFAOYSA-N 1 2 348.406 3.500 50 0 EHAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCc3ccco3)n2)C1 ZINC000028685357 564152185 /nfs/dbraw/zinc/15/21/85/564152185.db2.gz XRXGTCWNCIZOKD-CYBMUJFWSA-N 1 2 333.457 3.539 50 0 EHAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCc3ccco3)n2)C1 ZINC000028685357 564152186 /nfs/dbraw/zinc/15/21/86/564152186.db2.gz XRXGTCWNCIZOKD-CYBMUJFWSA-N 1 2 333.457 3.539 50 0 EHAALO CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000057713572 564155560 /nfs/dbraw/zinc/15/55/60/564155560.db2.gz CZPYOIBFTBPPKG-WFASDCNBSA-N 1 2 348.434 3.836 50 0 EHAALO CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000057713572 564155561 /nfs/dbraw/zinc/15/55/61/564155561.db2.gz CZPYOIBFTBPPKG-WFASDCNBSA-N 1 2 348.434 3.836 50 0 EHAALO Cc1ccc2[nH]c(SCc3[nH+]ccn3CC(F)(F)F)nc2c1 ZINC000057743029 564155630 /nfs/dbraw/zinc/15/56/30/564155630.db2.gz LZDUHDDKRBRAFE-UHFFFAOYSA-N 1 2 326.347 3.922 50 0 EHAALO Cc1ccc2nc(SCc3[nH+]ccn3CC(F)(F)F)[nH]c2c1 ZINC000057743029 564155631 /nfs/dbraw/zinc/15/56/31/564155631.db2.gz LZDUHDDKRBRAFE-UHFFFAOYSA-N 1 2 326.347 3.922 50 0 EHAALO CC[C@@H](NC(=O)Cc1coc2cc(C)cc(C)c12)c1[nH]cc(C)[nH+]1 ZINC000670445460 564158332 /nfs/dbraw/zinc/15/83/32/564158332.db2.gz OVXDOIDTXPKKHD-OAHLLOKOSA-N 1 2 325.412 3.891 50 0 EHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc(-n2cccc2)c1 ZINC000008132066 564163035 /nfs/dbraw/zinc/16/30/35/564163035.db2.gz YIVBBJWCGQYICQ-UHFFFAOYSA-N 1 2 344.418 3.565 50 0 EHAALO O=S(=O)(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1ccccc1 ZINC000008131777 564163042 /nfs/dbraw/zinc/16/30/42/564163042.db2.gz QKCWJPUQSWWCJR-UHFFFAOYSA-N 1 2 341.436 3.564 50 0 EHAALO C[N@@H+]1CCCCC[C@@H]1c1nc(-c2ccco2)nn1CC(F)(F)F ZINC000670469514 564163314 /nfs/dbraw/zinc/16/33/14/564163314.db2.gz STDPUAODFJPPIT-LLVKDONJSA-N 1 2 328.338 3.647 50 0 EHAALO C[N@H+]1CCCCC[C@@H]1c1nc(-c2ccco2)nn1CC(F)(F)F ZINC000670469514 564163315 /nfs/dbraw/zinc/16/33/15/564163315.db2.gz STDPUAODFJPPIT-LLVKDONJSA-N 1 2 328.338 3.647 50 0 EHAALO Cn1ncc2c1nc[nH+]c2NC(c1cccs1)c1cccs1 ZINC000172372376 564167561 /nfs/dbraw/zinc/16/75/61/564167561.db2.gz GVHKSVDEMKHFRH-UHFFFAOYSA-N 1 2 327.438 3.688 50 0 EHAALO Cc1cc(F)ccc1NC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000069442996 564169521 /nfs/dbraw/zinc/16/95/21/564169521.db2.gz AUQHWRSRBMFNGK-UHFFFAOYSA-N 1 2 342.418 3.662 50 0 EHAALO COc1cc[nH+]cc1NC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000069538186 564170349 /nfs/dbraw/zinc/17/03/49/564170349.db2.gz GVMHXPHTFLSXRZ-UHFFFAOYSA-N 1 2 343.383 3.529 50 0 EHAALO O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069699733 564171559 /nfs/dbraw/zinc/17/15/59/564171559.db2.gz DOEHKWQTLKROTL-HXUWFJFHSA-N 1 2 345.446 3.879 50 0 EHAALO Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069902336 564172731 /nfs/dbraw/zinc/17/27/31/564172731.db2.gz LGWBJOBBCQZRJU-CQSZACIVSA-N 1 2 327.359 3.554 50 0 EHAALO C(C[N@@H+]1CCC[C@H]1c1nnc2n1CCCCC2)OC1CCCCCC1 ZINC000077248219 564176692 /nfs/dbraw/zinc/17/66/92/564176692.db2.gz ZFMOSMXOEWZYED-SFHVURJKSA-N 1 2 346.519 3.881 50 0 EHAALO C(C[N@H+]1CCC[C@H]1c1nnc2n1CCCCC2)OC1CCCCCC1 ZINC000077248219 564176693 /nfs/dbraw/zinc/17/66/93/564176693.db2.gz ZFMOSMXOEWZYED-SFHVURJKSA-N 1 2 346.519 3.881 50 0 EHAALO