smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[NH+]2CCC3(C[C@@H](C(=O)N4CCCC4)[N@H+](C)C3)CC2)s1 ZINC000675011334 971490177 /nfs/dbraw/zinc/49/01/77/971490177.db2.gz SLAXVLPZVGGKPY-SFHVURJKSA-N 2 0 361.555 2.965 50 0 FFAARP [NH3+]Cc1cn(C[C@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)nn1 ZINC000023369015 969273478 /nfs/dbraw/zinc/27/34/78/969273478.db2.gz PMFSAGLZRBXHDI-SFHVURJKSA-N 2 0 362.481 2.711 50 0 FFAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]C2CCCC2)ccc1OC ZINC000012716233 204487259 /nfs/dbraw/zinc/48/72/59/204487259.db2.gz FNCPDXRXDUYFGD-SFHVURJKSA-N 2 0 350.503 2.809 50 0 FFAARP c1ccc(-n2c(CC3CC[NH2+]CC3)nnc2SC[C@@H]2CC[NH2+]C2)cc1 ZINC000055340767 205214391 /nfs/dbraw/zinc/21/43/91/205214391.db2.gz MXIMEXIEQWQCGY-MRXNPFEDSA-N 2 0 357.527 2.511 50 0 FFAARP CC(C)(C)C[N@@H+]1CCN(C2CC[NH+](Cc3ccco3)CC2)C[C@H]1CCO ZINC000104558215 206238070 /nfs/dbraw/zinc/23/80/70/206238070.db2.gz OOXANRWQODNHEU-LJQANCHMSA-N 2 0 363.546 2.659 50 0 FFAARP COc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)[NH+]2CCCC2)cc1 ZINC000170615862 206274729 /nfs/dbraw/zinc/27/47/29/206274729.db2.gz SHONEQSPXYKUKV-WOJBJXKFSA-N 2 0 357.498 2.575 50 0 FFAARP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000252488061 206574861 /nfs/dbraw/zinc/57/48/61/206574861.db2.gz IIIRJJINADERJP-UHFFFAOYSA-N 2 0 357.542 2.863 50 0 FFAARP Cc1c[nH+]ccc1N1CCCN(C(=O)NCC2CC[NH+](C(C)C)CC2)CC1 ZINC000426494398 263607710 /nfs/dbraw/zinc/60/77/10/263607710.db2.gz LPBSCYSPIDUIJA-UHFFFAOYSA-N 2 0 373.545 2.732 50 0 FFAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000012074264 506811186 /nfs/dbraw/zinc/81/11/86/506811186.db2.gz ROPSPAKXWUZUFA-UHFFFAOYSA-N 2 0 361.574 2.981 50 0 FFAARP Cc1nn(C)c(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000069833361 507570900 /nfs/dbraw/zinc/57/09/00/507570900.db2.gz DUCVTRWQUMVPAT-IYBDPMFKSA-N 2 0 356.514 2.936 50 0 FFAARP O=C(NCc1csc2ccc(Cl)cc12)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072146911 507758348 /nfs/dbraw/zinc/75/83/48/507758348.db2.gz JUIGVZKAMBRDOC-OAHLLOKOSA-N 2 0 363.914 2.903 50 0 FFAARP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000091635575 507998930 /nfs/dbraw/zinc/99/89/30/507998930.db2.gz SAHRIJDEWXFHIV-UHFFFAOYSA-N 2 0 365.468 2.731 50 0 FFAARP C[NH+](C)Cc1ccc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000136481995 508697226 /nfs/dbraw/zinc/69/72/26/508697226.db2.gz NTRBJWNNYKYDDF-UHFFFAOYSA-N 2 0 358.530 2.908 50 0 FFAARP Cc1ccc(O[C@H]2COCC[C@H]2[NH2+]C2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000222435726 509315344 /nfs/dbraw/zinc/31/53/44/509315344.db2.gz ZJSJWZFQJGROMD-UXHICEINSA-N 2 0 359.514 2.828 50 0 FFAARP [NH3+][C@H]1C[C@@H](c2cc(NCC[NH+]3CCC(c4ccccc4)CC3)ncn2)C1 ZINC000244601948 509862112 /nfs/dbraw/zinc/86/21/12/509862112.db2.gz DUYCTIDZRKPUIV-KDURUIRLSA-N 2 0 351.498 2.973 50 0 FFAARP COc1cc(C[N@@H+]2CCCC[C@@H]2CO)ccc1OCC[NH+]1CCCCC1 ZINC000216363565 522373884 /nfs/dbraw/zinc/37/38/84/522373884.db2.gz UTDHDBROPQRVBN-LJQANCHMSA-N 2 0 362.514 2.907 50 0 FFAARP C[C@H](C1CC[NH+](Cc2ccc(O)cc2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000077355661 571140059 /nfs/dbraw/zinc/14/00/59/571140059.db2.gz XHCXFSVJFNJSSZ-OAHLLOKOSA-N 2 0 351.922 2.894 50 0 FFAARP CCOc1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)ccc1OC ZINC000078459193 571141276 /nfs/dbraw/zinc/14/12/76/571141276.db2.gz IUHFYEYBIKOMIR-UHFFFAOYSA-N 2 0 370.497 2.531 50 0 FFAARP COc1cccc(C[C@H](C)[N@H+]2CCC(=O)N(CC[NH+]3CCCCC3)CC2)c1 ZINC000011970246 987835548 /nfs/dbraw/zinc/83/55/48/987835548.db2.gz SLDDJDBYEMPTCM-IBGZPJMESA-N 2 0 373.541 2.646 50 0 FFAARP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000015075653 1021791203 /nfs/dbraw/zinc/79/12/03/1021791203.db2.gz SNDUWRQLBKHODE-GOSISDBHSA-N 2 0 358.530 2.530 50 0 FFAARP OCC1CC[NH+](Cc2ccccc2NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655747892 1025259426 /nfs/dbraw/zinc/25/94/26/1025259426.db2.gz ZARBBEPHPDRKHD-NRFANRHFSA-N 2 0 373.541 2.556 50 0 FFAARP C[C@H](COc1ccccc1)[NH+]1CCC(CCC(=O)NCC[NH+](C)C)CC1 ZINC000011754182 204415368 /nfs/dbraw/zinc/41/53/68/204415368.db2.gz IWOGEJLMFOSIAG-GOSISDBHSA-N 2 0 361.530 2.624 50 0 FFAARP Cc1ccccc1[C@H]1[NH2+][C@](CO)(CCO)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000065410075 205348413 /nfs/dbraw/zinc/34/84/13/205348413.db2.gz ZPQGDHUKBRWDEI-ACESQOTJSA-N 2 0 366.505 2.501 50 0 FFAARP C[NH+](C)CCCn1ccnc1C1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000095371535 132208709 /nfs/dbraw/zinc/20/87/09/132208709.db2.gz RCJJHXJZYMKLKS-UHFFFAOYSA-N 2 0 370.545 2.675 50 0 FFAARP Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](c4ccccc4)C3)CC2)cc[nH+]1 ZINC000220537736 132275832 /nfs/dbraw/zinc/27/58/32/132275832.db2.gz XCVNFJIBTSQOAP-HXUWFJFHSA-N 2 0 364.493 2.528 50 0 FFAARP CCCC(=O)C1CC[NH+]([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1 ZINC000019836281 507203583 /nfs/dbraw/zinc/20/35/83/507203583.db2.gz VOCRQXAWCPMWCA-RTWAWAEBSA-N 2 0 356.510 2.805 50 0 FFAARP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCCn3cccc3)CC2)C1)N1CCCC1 ZINC000071750025 507709874 /nfs/dbraw/zinc/70/98/74/507709874.db2.gz GJPYWGQDQDXZMV-FQEVSTJZSA-N 2 0 372.557 2.677 50 0 FFAARP CCNC(=O)C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095357725 508175339 /nfs/dbraw/zinc/17/53/39/508175339.db2.gz RYYDWSGVKFPQGU-IBGZPJMESA-N 2 0 355.526 2.857 50 0 FFAARP CN(C)C(=O)C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095372279 508179027 /nfs/dbraw/zinc/17/90/27/508179027.db2.gz HTRXQDQEVFXQEN-LJQANCHMSA-N 2 0 355.526 2.809 50 0 FFAARP C[N@@H+]1CC[C@H](c2nc(COc3ccccc3)nn2C2CC[NH+](C)CC2)C1 ZINC000095531684 508196960 /nfs/dbraw/zinc/19/69/60/508196960.db2.gz MFWFFWFQTBGXTQ-INIZCTEOSA-N 2 0 355.486 2.543 50 0 FFAARP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000426444865 513942790 /nfs/dbraw/zinc/94/27/90/513942790.db2.gz DCFPSZLWQAZTEV-FQEVSTJZSA-N 2 0 370.541 2.999 50 0 FFAARP CCC[NH+]1CCC(N2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)CC1 ZINC000020455256 519844533 /nfs/dbraw/zinc/84/45/33/519844533.db2.gz VNQFJRSHXRQEBM-QHCPKHFHSA-N 2 0 373.585 2.862 50 0 FFAARP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc3ccc(Cl)cn23)C[C@@H](C)O1 ZINC000078868884 524943221 /nfs/dbraw/zinc/94/32/21/524943221.db2.gz AMALVYRXJSBSOG-HUUCEWRRSA-N 2 0 350.894 2.967 50 0 FFAARP CC(C)([NH3+])c1cn(C2CC[NH+](Cc3ccnc4ccccc34)CC2)nn1 ZINC000023128504 967140059 /nfs/dbraw/zinc/14/00/59/967140059.db2.gz XWYMHMQEDSIBSC-UHFFFAOYSA-N 2 0 350.470 2.857 50 0 FFAARP COc1ccnc(N2CC[NH+](CCCc3nc4ccccc4o3)CC2)c1 ZINC000104720298 1010029492 /nfs/dbraw/zinc/02/94/92/1010029492.db2.gz QQVJKOWMBQFELQ-UHFFFAOYSA-N 2 0 352.438 2.986 50 0 FFAARP O[C@H]1[C@H]([NH2+]CCOCc2ccccc2)c2ccccc2C12CC[NH2+]CC2 ZINC000072165171 1019837915 /nfs/dbraw/zinc/83/79/15/1019837915.db2.gz HGURDWUCWBVHDL-RTWAWAEBSA-N 2 0 352.478 2.530 50 0 FFAARP COc1ccc(CC[N@@H+](Cc2cnn(C)c2)CC2CC[NH+](C)CC2)cc1 ZINC000014977215 1021733460 /nfs/dbraw/zinc/73/34/60/1021733460.db2.gz FMCSFKKUYDBTAE-UHFFFAOYSA-N 2 0 356.514 2.815 50 0 FFAARP O[C@@H](COc1ccccc1C[NH2+]CCc1ccncc1)C[NH+]1CCCCC1 ZINC000019225868 1022501768 /nfs/dbraw/zinc/50/17/68/1022501768.db2.gz MRUMGGJVKCRLGG-OAQYLSRUSA-N 2 0 369.509 2.640 50 0 FFAARP Cc1cc(C[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)s3)C[C@H]2O)[nH]n1 ZINC001529138611 1062184634 /nfs/dbraw/zinc/18/46/34/1062184634.db2.gz GQGYJKHSGCHMQG-OXQOHEQNSA-N 2 0 374.554 2.801 50 0 FFAARP Cc1nccn1-c1ccccc1C[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063834376 205293956 /nfs/dbraw/zinc/29/39/56/205293956.db2.gz FYAQTWPRVOSODZ-NHCUHLMSSA-N 2 0 354.498 2.650 50 0 FFAARP Cc1cc2c(cc1C[N@H+]1CCCC[C@H]1CCN1CC[NH+](C)CC1)OCO2 ZINC000067714502 205385197 /nfs/dbraw/zinc/38/51/97/205385197.db2.gz OHLUPJSIBDVZNU-IBGZPJMESA-N 2 0 359.514 2.716 50 0 FFAARP CCc1cc(N2CCC([NH2+]Cc3ccon3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000095506147 132212500 /nfs/dbraw/zinc/21/25/00/132212500.db2.gz QLMMTBAJIZAJIV-UHFFFAOYSA-N 2 0 370.501 2.776 50 0 FFAARP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000007346265 506554637 /nfs/dbraw/zinc/55/46/37/506554637.db2.gz SLCWQNRLCOQURR-ROUUACIJSA-N 2 0 358.530 2.745 50 0 FFAARP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C2CC2)C1 ZINC000012471187 506868656 /nfs/dbraw/zinc/86/86/56/506868656.db2.gz DCGVXHZXTRFPOA-GOSISDBHSA-N 2 0 373.541 2.707 50 0 FFAARP Cc1cc(N2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)nc(N)[nH+]1 ZINC000072153598 507761494 /nfs/dbraw/zinc/76/14/94/507761494.db2.gz HUNKIIULGISTLM-OAQYLSRUSA-N 2 0 351.498 2.902 50 0 FFAARP Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)nc(N)[nH+]1 ZINC000072153597 507761651 /nfs/dbraw/zinc/76/16/51/507761651.db2.gz HUNKIIULGISTLM-NRFANRHFSA-N 2 0 351.498 2.902 50 0 FFAARP COc1cc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)cc(OC)c1 ZINC000072154890 507762818 /nfs/dbraw/zinc/76/28/18/507762818.db2.gz BIAFFTRPQFBCDF-RTWAWAEBSA-N 2 0 368.477 2.612 50 0 FFAARP Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072167340 507767822 /nfs/dbraw/zinc/76/78/22/507767822.db2.gz JSRYUAHOWSDNGJ-HNNXBMFYSA-N 2 0 356.297 2.650 50 0 FFAARP O=C1CC[C@H]2C[N@H+](Cc3ccccc3F)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072473149 507795697 /nfs/dbraw/zinc/79/56/97/507795697.db2.gz HMVSLHCIEODRME-AZUAARDMSA-N 2 0 359.489 2.638 50 0 FFAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(C4CCCCC4)no3)CC[C@H]21 ZINC000072475421 507796274 /nfs/dbraw/zinc/79/62/74/507796274.db2.gz HMTVQYZCPKHZQT-FXAWDEMLSA-N 2 0 374.529 2.755 50 0 FFAARP Cc1cc(CN2CC[NH+](CCO)CC2)c(C)c(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000223741463 509347652 /nfs/dbraw/zinc/34/76/52/509347652.db2.gz VASSKACGIKSVRO-IBGZPJMESA-N 2 0 359.558 2.788 50 0 FFAARP C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(c3ccccc3)CC1)CC2 ZINC000299796593 511684303 /nfs/dbraw/zinc/68/43/03/511684303.db2.gz NMDGKYMCCJCRRV-UHFFFAOYSA-N 2 0 355.526 2.810 50 0 FFAARP Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)N2CC([NH+]3CCCCC3)C2)C1 ZINC000534579006 517950356 /nfs/dbraw/zinc/95/03/56/517950356.db2.gz NEFHVFLBKHRRRM-IBGZPJMESA-N 2 0 370.541 2.697 50 0 FFAARP C[NH+](C)CCOc1ccccc1-c1cccc(C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000534652324 517982939 /nfs/dbraw/zinc/98/29/39/517982939.db2.gz JSMYBMUXJITFPE-QGZVFWFLSA-N 2 0 367.493 2.715 50 0 FFAARP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+](C)Cc3ccccc3)CC2)C1 ZINC000584891510 518526141 /nfs/dbraw/zinc/52/61/41/518526141.db2.gz GMSVZFPJHWUFBT-LJQANCHMSA-N 2 0 358.530 2.777 50 0 FFAARP OC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000169750489 984951605 /nfs/dbraw/zinc/95/16/05/984951605.db2.gz CORCPRWVSRGSJX-OAQYLSRUSA-N 2 0 351.494 2.788 50 0 FFAARP O=C(C1CC[NH+](Cc2ccco2)CC1)N1CC[NH+](CC2CCCC2)CC1 ZINC000827951830 999546548 /nfs/dbraw/zinc/54/65/48/999546548.db2.gz BWDSEJHPCIUWOB-UHFFFAOYSA-N 2 0 359.514 2.826 50 0 FFAARP O[C@H](COc1ccccc1C[NH2+]CCc1ccncc1)C[NH+]1CCCCC1 ZINC000019225871 1022502239 /nfs/dbraw/zinc/50/22/39/1022502239.db2.gz MRUMGGJVKCRLGG-NRFANRHFSA-N 2 0 369.509 2.640 50 0 FFAARP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCCn3cccc3)CC2)C1)N1CCCC1 ZINC000071750026 507710420 /nfs/dbraw/zinc/71/04/20/507710420.db2.gz GJPYWGQDQDXZMV-HXUWFJFHSA-N 2 0 372.557 2.677 50 0 FFAARP C[NH+]1CCN(CCOc2ccccc2C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)CC1 ZINC000071753194 507711989 /nfs/dbraw/zinc/71/19/89/507711989.db2.gz XZDFLMSSHKZEPO-ZIEJVCCYSA-N 2 0 369.553 2.791 50 0 FFAARP Cc1ccccc1-c1nc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000072255161 507771850 /nfs/dbraw/zinc/77/18/50/507771850.db2.gz LDUWPWUUJVWHPM-UHFFFAOYSA-N 2 0 360.527 2.684 50 0 FFAARP c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072430730 507789874 /nfs/dbraw/zinc/78/98/74/507789874.db2.gz LMEURUXRQCCDKG-SFHVURJKSA-N 2 0 362.481 2.687 50 0 FFAARP COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)c2ccccc12 ZINC000091746347 508007553 /nfs/dbraw/zinc/00/75/53/508007553.db2.gz RQQOADUHZMSSAF-RTBURBONSA-N 2 0 354.494 2.985 50 0 FFAARP Cc1c(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc2c[nH+]cn21 ZINC000095465207 508187138 /nfs/dbraw/zinc/18/71/38/508187138.db2.gz IBRSYEGAXFTIME-IYBDPMFKSA-N 2 0 370.497 2.604 50 0 FFAARP COc1ccc(OC[C@@H](O)C[NH+](C)C)c(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000095506719 508191972 /nfs/dbraw/zinc/19/19/72/508191972.db2.gz WFYJIUONXQKFGR-SFHVURJKSA-N 2 0 362.514 2.763 50 0 FFAARP C[N@@H+]1CC[C@@H](c2nc(COc3ccccc3)nn2C2CC[NH+](C)CC2)C1 ZINC000095531683 508197165 /nfs/dbraw/zinc/19/71/65/508197165.db2.gz MFWFFWFQTBGXTQ-MRXNPFEDSA-N 2 0 355.486 2.543 50 0 FFAARP Cc1cc(NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)nc(N)[nH+]1 ZINC000082121023 508226077 /nfs/dbraw/zinc/22/60/77/508226077.db2.gz GGBOSGQYBOHXRA-UHFFFAOYSA-N 2 0 355.490 2.714 50 0 FFAARP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC000237623098 509693668 /nfs/dbraw/zinc/69/36/68/509693668.db2.gz KPEGKQMEQPOXLY-IRXDYDNUSA-N 2 0 367.493 2.685 50 0 FFAARP Nc1nc(NCCC2CC[NH+](C3CCCC3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244723724 509867397 /nfs/dbraw/zinc/86/73/97/509867397.db2.gz MGDHSFLHGVNGSF-WOVMCDHWSA-N 2 0 359.518 2.754 50 0 FFAARP C[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000426479083 513951841 /nfs/dbraw/zinc/95/18/41/513951841.db2.gz YBFHSUBBWSOTNO-FQEVSTJZSA-N 2 0 358.530 2.951 50 0 FFAARP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000020783009 527533834 /nfs/dbraw/zinc/53/38/34/527533834.db2.gz BCYQDOPPALCWEJ-KRWDZBQOSA-N 2 0 370.522 2.962 50 0 FFAARP CCc1cc(N2CCC([N@H+](C)C[C@H]3CCCCO3)CC2)nc(N(C)C)[nH+]1 ZINC000095520876 536144872 /nfs/dbraw/zinc/14/48/72/536144872.db2.gz SFZCHRMMWMHEGN-GOSISDBHSA-N 2 0 361.534 2.575 50 0 FFAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc(O)c2)C[C@H]2CCCO2)CC1 ZINC000012702763 1014918304 /nfs/dbraw/zinc/91/83/04/1014918304.db2.gz WIWDNEQYNXIYAV-OAQYLSRUSA-N 2 0 362.514 2.732 50 0 FFAARP CC(C)[N@@H+]1CCO[C@H](CC(=O)NCCC2CC[NH+](C3CCCC3)CC2)C1 ZINC000827812461 999538793 /nfs/dbraw/zinc/53/87/93/999538793.db2.gz QHDNZMWFJNCYBF-HXUWFJFHSA-N 2 0 365.562 2.647 50 0 FFAARP CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCCC2CC[NH+](C3CCCC3)CC2)C1 ZINC000827812460 999538842 /nfs/dbraw/zinc/53/88/42/999538842.db2.gz QHDNZMWFJNCYBF-FQEVSTJZSA-N 2 0 365.562 2.647 50 0 FFAARP O[C@@H]1C[N@H+](Cc2cc(C[NH+]3CCCC3)cs2)C[C@H]1Cc1ccccn1 ZINC001529189513 1062212841 /nfs/dbraw/zinc/21/28/41/1062212841.db2.gz PSLRHHWBHLPYLC-YLJYHZDGSA-N 2 0 357.523 2.774 50 0 FFAARP Cc1cc(C)c(-n2cccn2)c(C[N@H+]2CCN(C)C3(CC[NH+](C)CC3)C2)c1 ZINC000067770043 205388826 /nfs/dbraw/zinc/38/88/26/205388826.db2.gz WDQZOUCRXDFBIZ-UHFFFAOYSA-N 2 0 367.541 2.701 50 0 FFAARP COc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[NH+]2CCCC2)cc1 ZINC000170615860 206274308 /nfs/dbraw/zinc/27/43/08/206274308.db2.gz SHONEQSPXYKUKV-VQTJNVASSA-N 2 0 357.498 2.575 50 0 FFAARP COc1ccc(CCNC(=[NH2+])NCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000057752214 206389431 /nfs/dbraw/zinc/38/94/31/206389431.db2.gz LMFPUJCRIJCGHU-UHFFFAOYSA-N 2 0 354.498 2.874 50 0 FFAARP Cc1cc(N2CCC([NH2+]C[C@H]3CCCCO3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095375306 132209060 /nfs/dbraw/zinc/20/90/60/132209060.db2.gz DHXRYQMZBNISTF-GOSISDBHSA-N 2 0 359.518 2.513 50 0 FFAARP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]([NH3+])CC3)c(N3CCOCC3)nc2c1 ZINC000097819476 132231117 /nfs/dbraw/zinc/23/11/17/132231117.db2.gz MYWLLXSOQYUJGV-LJQANCHMSA-N 2 0 354.498 2.693 50 0 FFAARP COc1ccc(C[N@H+](C)C(C)C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000015072241 507016312 /nfs/dbraw/zinc/01/63/12/507016312.db2.gz PBVKKBSRMJMXIL-SFHVURJKSA-N 2 0 350.503 2.761 50 0 FFAARP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CCC3)CC2)C1 ZINC000071774694 507714868 /nfs/dbraw/zinc/71/48/68/507714868.db2.gz IIVVHUVBQMVDFE-LJQANCHMSA-N 2 0 370.541 2.674 50 0 FFAARP Cc1cc(C)cc(C2(CNC(=O)[C@H]3CC4(C[NH2+]3)CC[NH2+]CC4)CCCC2)c1 ZINC000072159143 507764342 /nfs/dbraw/zinc/76/43/42/507764342.db2.gz HWXZMDIUVJIMNK-HXUWFJFHSA-N 2 0 369.553 2.963 50 0 FFAARP CC(C)CN(C/C=C/c1ccccc1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072157905 507764476 /nfs/dbraw/zinc/76/44/76/507764476.db2.gz AKIGRIAEAVZAEQ-ZGBFETHSSA-N 2 0 355.526 2.916 50 0 FFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1cnc(C)c(C)c1)CC[NH+](C)CC2 ZINC000072419318 507786967 /nfs/dbraw/zinc/78/69/67/507786967.db2.gz PDAZHARJCUGPKH-LJQANCHMSA-N 2 0 358.530 2.511 50 0 FFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1cccc(F)c1F)CC[NH+](C)CC2 ZINC000072476349 507796122 /nfs/dbraw/zinc/79/61/22/507796122.db2.gz BPFCDQIPBYLRKR-KRWDZBQOSA-N 2 0 365.468 2.777 50 0 FFAARP Cc1ccc(F)c(C[NH+]2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c1 ZINC000091493432 507990141 /nfs/dbraw/zinc/99/01/41/507990141.db2.gz ATGDRGKSLNHMNT-UHFFFAOYSA-N 2 0 361.505 2.900 50 0 FFAARP C[NH+](C)Cc1csc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000092062406 508039342 /nfs/dbraw/zinc/03/93/42/508039342.db2.gz TWOZUIYCJZKEBJ-RTBURBONSA-N 2 0 365.587 2.726 50 0 FFAARP CN(C)C(=O)C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095372278 508178965 /nfs/dbraw/zinc/17/89/65/508178965.db2.gz HTRXQDQEVFXQEN-IBGZPJMESA-N 2 0 355.526 2.809 50 0 FFAARP OCCC[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095511640 508193400 /nfs/dbraw/zinc/19/34/00/508193400.db2.gz CKXXCIBYPHMFLA-QHCPKHFHSA-N 2 0 372.553 2.729 50 0 FFAARP O[C@H](COc1cccc(C[NH+]2CCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000095525219 508195715 /nfs/dbraw/zinc/19/57/15/508195715.db2.gz WYZFQEUBGAQTOK-NRFANRHFSA-N 2 0 352.478 2.690 50 0 FFAARP C[N@@H+]1CCCC[C@H]1C(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 ZINC000082121422 508225968 /nfs/dbraw/zinc/22/59/68/508225968.db2.gz GZSAJUPZMRCOGR-FQEVSTJZSA-N 2 0 373.545 2.522 50 0 FFAARP COCc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244707998 509865108 /nfs/dbraw/zinc/86/51/08/509865108.db2.gz KLQSKZNEAQIBDH-KSZLIROESA-N 2 0 367.497 2.514 50 0 FFAARP Cc1cc(C)n([C@@H]2CC[N@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000244828583 509872256 /nfs/dbraw/zinc/87/22/56/509872256.db2.gz TYVIYZJNUBKAKU-JOCHJYFZSA-N 2 0 367.541 2.565 50 0 FFAARP CN1CC[NH+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000253370721 509873809 /nfs/dbraw/zinc/87/38/09/509873809.db2.gz VEJWDYSFSQTDRY-WBDAEOGXSA-N 3 0 370.585 2.799 50 0 FFAARP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246184179 510345628 /nfs/dbraw/zinc/34/56/28/510345628.db2.gz VBYUEWHEBQZZGO-RDJZCZTQSA-N 2 0 356.445 2.659 50 0 FFAARP O[C@@H](COc1ccccc1C[NH2+]C1CCCC1)C[NH+]1CCSCC1 ZINC000012703384 727815073 /nfs/dbraw/zinc/81/50/73/727815073.db2.gz OSYSVHMSHUJOLJ-GOSISDBHSA-N 2 0 350.528 2.507 50 0 FFAARP c1sc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc1C[NH+]1CCCC1 ZINC000827603760 999510777 /nfs/dbraw/zinc/51/07/77/999510777.db2.gz UUSFUMNANJDATO-GOSISDBHSA-N 2 0 363.571 2.888 50 0 FFAARP CCC[NH+]1CCN(C(=O)c2cccc3[nH]cc(C[NH+]4CCCC4)c32)CC1 ZINC000065135823 205319131 /nfs/dbraw/zinc/31/91/31/205319131.db2.gz JGPZPOGDPSCLKU-UHFFFAOYSA-N 2 0 354.498 2.932 50 0 FFAARP Cc1nc2c(c(NCC[C@H]3CC[N@H+](Cc4ccccc4)C3)n1)CC[NH2+]C2 ZINC000067869270 205398523 /nfs/dbraw/zinc/39/85/23/205398523.db2.gz KECYPFWXXQXULQ-SFHVURJKSA-N 2 0 351.498 2.755 50 0 FFAARP Cc1cc(N2CCC[N@H+](Cc3cnc(N4CCCCC4)nc3)CC2)cc[nH+]1 ZINC000072158404 136142966 /nfs/dbraw/zinc/14/29/66/136142966.db2.gz CJHCUJUOORFLQW-UHFFFAOYSA-N 2 0 366.513 2.883 50 0 FFAARP CN(Cc1cccc2ccccc21)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072410315 507785663 /nfs/dbraw/zinc/78/56/63/507785663.db2.gz HHQYNXOEFFZVHW-FQEVSTJZSA-N 2 0 351.494 2.872 50 0 FFAARP Cc1ccc(C)c(OCCCN(C)C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c1 ZINC000072424837 507788316 /nfs/dbraw/zinc/78/83/16/507788316.db2.gz PQDCZTMUVQUMRS-IBGZPJMESA-N 2 0 373.541 2.605 50 0 FFAARP COc1cc(C[N@H+]2CC=C(C)CC2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095528208 508196544 /nfs/dbraw/zinc/19/65/44/508196544.db2.gz SSWAYYYHEQODHH-LJQANCHMSA-N 2 0 362.514 2.927 50 0 FFAARP CC(C)=CC[N@H+]1CCC2(CC[NH+](Cc3cnc(C)n3C)CC2)[C@H](CO)C1 ZINC000097447055 508224715 /nfs/dbraw/zinc/22/47/15/508224715.db2.gz WJEGYTOXZOWSKB-IBGZPJMESA-N 2 0 360.546 2.591 50 0 FFAARP [NH3+]CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000426525837 513969657 /nfs/dbraw/zinc/96/96/57/513969657.db2.gz HMJRQMAPXYMORV-INIZCTEOSA-N 2 0 365.905 2.768 50 0 FFAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3cccs3)C2)CC1 ZINC000011998620 727813004 /nfs/dbraw/zinc/81/30/04/727813004.db2.gz QNTRBBROEOHCOX-QGZVFWFLSA-N 2 0 363.571 2.992 50 0 FFAARP COC[C@H]1C[N@H+](Cc2ccc(Br)cc2)CC12CC[NH2+]CC2 ZINC000169789784 728983339 /nfs/dbraw/zinc/98/33/39/728983339.db2.gz YSCJUEIOHVBWKM-OAHLLOKOSA-N 2 0 353.304 2.897 50 0 FFAARP Cc1c[nH+]c(C2CCOCC2)n1CCNC(=O)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000581813037 999947443 /nfs/dbraw/zinc/94/74/43/999947443.db2.gz MZPJRAZMARQMQD-IBGZPJMESA-N 2 0 374.529 2.609 50 0 FFAARP CC(C)C[C@@]1(CO)[NH2+][C@H](c2cncn2C)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000065497469 205355527 /nfs/dbraw/zinc/35/55/27/205355527.db2.gz ZTZWTECXCPSONW-WAGURGNTSA-N 2 0 368.525 2.590 50 0 FFAARP Cc1ccccc1-n1cccc1C[NH+]1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067695645 205383326 /nfs/dbraw/zinc/38/33/26/205383326.db2.gz SJXPKNGOUPDNRC-UHFFFAOYSA-N 2 0 352.526 2.998 50 0 FFAARP CCOc1ccc(OC[C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000006552538 206202725 /nfs/dbraw/zinc/20/27/25/206202725.db2.gz SFUKSWHTMCQTCI-MRXNPFEDSA-N 2 0 350.503 2.724 50 0 FFAARP Cc1cc(N2CCC([NH2+]CC3([NH+]4CCCC4)CCCCC3)CC2)nc(N)[nH+]1 ZINC000095372796 132208912 /nfs/dbraw/zinc/20/89/12/132208912.db2.gz QJKNKNWZMSQMET-UHFFFAOYSA-N 3 0 372.561 2.724 50 0 FFAARP CCn1ccc2c1cccc2C[NH+]1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000216523583 132271491 /nfs/dbraw/zinc/27/14/91/132271491.db2.gz XXZOVXSNBBEMTP-UHFFFAOYSA-N 2 0 350.470 2.664 50 0 FFAARP COc1ccc(C[N@H+](C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)cc1 ZINC000020860478 507235187 /nfs/dbraw/zinc/23/51/87/507235187.db2.gz AEZOTHZAUBOAOE-RTWAWAEBSA-N 2 0 352.478 2.864 50 0 FFAARP CN1CCN([C@@H](C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c2cccs2)CC1 ZINC000022788477 507311711 /nfs/dbraw/zinc/31/17/11/507311711.db2.gz UKLKAHBZLPCCKT-KRWDZBQOSA-N 2 0 364.603 2.935 50 0 FFAARP CCc1ccc(C[N@H+](C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)nc1 ZINC000023478776 507356068 /nfs/dbraw/zinc/35/60/68/507356068.db2.gz GTIJTEXBBMXTHN-RTWAWAEBSA-N 2 0 351.494 2.813 50 0 FFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1cnc(C)c(C)c1)CC[NH+](C)CC2 ZINC000072419319 507786704 /nfs/dbraw/zinc/78/67/04/507786704.db2.gz PDAZHARJCUGPKH-IBGZPJMESA-N 2 0 358.530 2.511 50 0 FFAARP O=C1CC[C@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@H]2N1CCc1ccccc1 ZINC000072423147 507787643 /nfs/dbraw/zinc/78/76/43/507787643.db2.gz NIVWQNVVTHHJDE-LEWJYISDSA-N 2 0 355.526 2.542 50 0 FFAARP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095355660 508174778 /nfs/dbraw/zinc/17/47/78/508174778.db2.gz FETJGAUZANORPY-OAQYLSRUSA-N 2 0 363.505 2.942 50 0 FFAARP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095355661 508174908 /nfs/dbraw/zinc/17/49/08/508174908.db2.gz FETJGAUZANORPY-NRFANRHFSA-N 2 0 363.505 2.942 50 0 FFAARP COCCCN(C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1)C1CC[NH+](C)CC1 ZINC000095363120 508176961 /nfs/dbraw/zinc/17/69/61/508176961.db2.gz VGOWVOHXSOJNBN-FQEVSTJZSA-N 2 0 373.541 2.727 50 0 FFAARP O[C@@H](COc1ccccc1C[NH+]1CCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000095499336 508189538 /nfs/dbraw/zinc/18/95/38/508189538.db2.gz QPCNYJGKHSCYEO-OAQYLSRUSA-N 2 0 352.478 2.690 50 0 FFAARP O[C@H](COc1ccccc1C[NH+]1CCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000095499335 508189797 /nfs/dbraw/zinc/18/97/97/508189797.db2.gz QPCNYJGKHSCYEO-NRFANRHFSA-N 2 0 352.478 2.690 50 0 FFAARP CC[NH+](CC)CCC[C@H](C)NC(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000426613036 513994716 /nfs/dbraw/zinc/99/47/16/513994716.db2.gz ZKDAMCLUAZWAMJ-SFHVURJKSA-N 2 0 361.534 2.732 50 0 FFAARP CCc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000020449737 523928272 /nfs/dbraw/zinc/92/82/72/523928272.db2.gz MSOSKTIEKGGDTN-QHCPKHFHSA-N 2 0 373.585 2.990 50 0 FFAARP O[C@H](COc1ccccc1C[NH2+]C1CCCC1)C[NH+]1CCSCC1 ZINC000012703388 727815017 /nfs/dbraw/zinc/81/50/17/727815017.db2.gz OSYSVHMSHUJOLJ-SFHVURJKSA-N 2 0 350.528 2.507 50 0 FFAARP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000581808644 999948508 /nfs/dbraw/zinc/94/85/08/999948508.db2.gz ZWMCSYWXIVZFIE-LJQANCHMSA-N 2 0 374.529 2.735 50 0 FFAARP c1cncc(-c2nc3c(c(NCCC45CCC[NH+]4CCC5)n2)CC[NH2+]C3)c1 ZINC000067771790 205390949 /nfs/dbraw/zinc/39/09/49/205390949.db2.gz FEOLRTSORHSFJE-UHFFFAOYSA-N 2 0 364.497 2.615 50 0 FFAARP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000107051162 206016653 /nfs/dbraw/zinc/01/66/53/206016653.db2.gz JXHHNFGWTDIXLS-QRVBRYPASA-N 2 0 365.562 2.504 50 0 FFAARP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000170616853 206276336 /nfs/dbraw/zinc/27/63/36/206276336.db2.gz TYWYNSCZJLXCTE-FGZHOGPDSA-N 2 0 357.542 2.695 50 0 FFAARP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000216073968 206354220 /nfs/dbraw/zinc/35/42/20/206354220.db2.gz GZUGFCQEBJOBMZ-LJQANCHMSA-N 2 0 367.541 2.845 50 0 FFAARP Cc1ccc2cc(C[N@H+]3CCC[C@@H]3C)c(N3CC[NH+](CCO)CC3)nc2c1 ZINC000252479826 132292277 /nfs/dbraw/zinc/29/22/77/132292277.db2.gz BNHLQGHDLDQBSL-SFHVURJKSA-N 2 0 368.525 2.642 50 0 FFAARP CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011759158 506792991 /nfs/dbraw/zinc/79/29/91/506792991.db2.gz HCDJXPURGSBPTH-HXUWFJFHSA-N 2 0 369.553 2.809 50 0 FFAARP Cc1cccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000019223275 507158923 /nfs/dbraw/zinc/15/89/23/507158923.db2.gz AUBOHTZYZXHION-QFIPXVFZSA-N 2 0 359.558 2.736 50 0 FFAARP Cc1cc(C)cc(C2(CNC(=O)[C@@H]3CC4(C[NH2+]3)CC[NH2+]CC4)CCCC2)c1 ZINC000072159142 507764424 /nfs/dbraw/zinc/76/44/24/507764424.db2.gz HWXZMDIUVJIMNK-FQEVSTJZSA-N 2 0 369.553 2.963 50 0 FFAARP C[N@H+](CCNC(=O)C1CC[NH+](Cc2cccnc2)CC1)Cc1ccccc1 ZINC000072294942 507772398 /nfs/dbraw/zinc/77/23/98/507772398.db2.gz CQNJVKBWPRVYOL-UHFFFAOYSA-N 2 0 366.509 2.542 50 0 FFAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1cccc3ccccc31)CC[NH2+]CC2 ZINC000072412137 507786103 /nfs/dbraw/zinc/78/61/03/507786103.db2.gz ZYWDCWJYZOILCU-HXUWFJFHSA-N 2 0 351.494 2.572 50 0 FFAARP OC1CC[NH+](C2CCN(Cc3cc(C[NH+]4CCCC4)cs3)CC2)CC1 ZINC000072463677 507794831 /nfs/dbraw/zinc/79/48/31/507794831.db2.gz FETKKGXYTYNMOD-UHFFFAOYSA-N 2 0 363.571 2.765 50 0 FFAARP NC(=O)C1CC[NH+](CCCC[NH2+]Cc2cc(Br)cs2)CC1 ZINC000030911649 507814793 /nfs/dbraw/zinc/81/47/93/507814793.db2.gz XYANXWLSJDPKDL-UHFFFAOYSA-N 2 0 374.348 2.578 50 0 FFAARP Cc1c(C[N@@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)[nH]c2ccccc12 ZINC000091487120 507989837 /nfs/dbraw/zinc/98/98/37/507989837.db2.gz UQZPJSUCHVWYGY-JOCHJYFZSA-N 2 0 371.525 2.772 50 0 FFAARP CCN1CC2(CC[NH+](C3CC[NH2+]CC3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091713775 508005072 /nfs/dbraw/zinc/00/50/72/508005072.db2.gz AKCXYBXXIMWXKJ-HXUWFJFHSA-N 2 0 355.526 2.857 50 0 FFAARP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000095943567 508198809 /nfs/dbraw/zinc/19/88/09/508198809.db2.gz BJOOBJUJSMSNNV-PSHVLCQKSA-N 2 0 374.525 2.579 50 0 FFAARP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC([NH+]2CCSCC2)CC1 ZINC000097822974 508230241 /nfs/dbraw/zinc/23/02/41/508230241.db2.gz XUSYOYDDLVVLEG-UHFFFAOYSA-N 2 0 373.566 2.936 50 0 FFAARP Cc1nc2ccccc2nc1C[NH+]1CCC([C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000077387859 508308645 /nfs/dbraw/zinc/30/86/45/508308645.db2.gz XHDGHIXTFQZMSC-GOSISDBHSA-N 2 0 367.541 2.786 50 0 FFAARP Nc1nc(NCC2([NH+]3CCCCC3)CCCCC2)cc(C2CC([NH3+])C2)n1 ZINC000222527559 509319189 /nfs/dbraw/zinc/31/91/89/509319189.db2.gz HZAHJOXGPPTKLB-UHFFFAOYSA-N 2 0 358.534 2.864 50 0 FFAARP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000252586530 509854544 /nfs/dbraw/zinc/85/45/44/509854544.db2.gz QRMWNZWYSRBYOG-QGPMSJSTSA-N 2 0 354.441 2.823 50 0 FFAARP O[C@H]1C[C@@H]([C@H](Cc2ccncc2)[NH2+]C2CCN(Cc3ccco3)CC2)C1 ZINC000244899681 509877526 /nfs/dbraw/zinc/87/75/26/509877526.db2.gz ZNXKTEXFKAGZHA-DSKINZAPSA-N 2 0 355.482 2.611 50 0 FFAARP C[NH+](C)Cc1ccc(CSCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)o1 ZINC000082134323 521906624 /nfs/dbraw/zinc/90/66/24/521906624.db2.gz KVTSVTLSSBSQBX-MRXNPFEDSA-N 2 0 368.543 2.892 50 0 FFAARP O=C(C[NH+]1CCCCC1)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082121361 526736935 /nfs/dbraw/zinc/73/69/35/526736935.db2.gz HKVAPNPRPTUKLI-UHFFFAOYSA-N 2 0 373.545 2.524 50 0 FFAARP Cc1ncsc1C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCSC1)CCO2 ZINC000825284754 999306921 /nfs/dbraw/zinc/30/69/21/999306921.db2.gz GILDWPJBNLTHQU-OAHLLOKOSA-N 2 0 353.557 2.624 50 0 FFAARP O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(C[NH+]2CCCC2)o1 ZINC000828166460 999557927 /nfs/dbraw/zinc/55/79/27/999557927.db2.gz KWPKSZQTBFKCMK-UHFFFAOYSA-N 2 0 368.481 2.665 50 0 FFAARP O=C1CC[C@H]([NH2+]C2CC[NH+](C3CCSCC3)CC2)CCN1CC1CC1 ZINC001506423354 1059510656 /nfs/dbraw/zinc/51/06/56/1059510656.db2.gz WFPOVLRSOHVMDY-KRWDZBQOSA-N 2 0 365.587 2.727 50 0 FFAARP Cn1c(C[NH2+]CC2(c3ccccc3F)CCCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244735047 209906962 /nfs/dbraw/zinc/90/69/62/209906962.db2.gz NSEKGCFQQJFPJR-SHTZXODSSA-N 2 0 357.477 2.761 50 0 FFAARP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)c1ccc(C[NH3+])o1 ZINC000237514307 209350189 /nfs/dbraw/zinc/35/01/89/209350189.db2.gz LBLDGTHIRVYPIW-HZPDHXFCSA-N 2 0 355.482 2.967 50 0 FFAARP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000097057190 209168556 /nfs/dbraw/zinc/16/85/56/209168556.db2.gz DJEQSVFKUJLLSX-AKIFATBCSA-N 3 0 370.585 2.513 50 0 FFAARP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)C2CC2)C1 ZINC000012471193 207379999 /nfs/dbraw/zinc/37/99/99/207379999.db2.gz DCGVXHZXTRFPOA-SFHVURJKSA-N 2 0 373.541 2.707 50 0 FFAARP CNC(=O)CC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095365807 209030469 /nfs/dbraw/zinc/03/04/69/209030469.db2.gz GICHOXMTPHUVQU-LJQANCHMSA-N 2 0 355.526 2.857 50 0 FFAARP CC[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000095372795 209034996 /nfs/dbraw/zinc/03/49/96/209034996.db2.gz YPKAWZWUYJELLY-LEWJYISDSA-N 2 0 357.542 2.788 50 0 FFAARP CC[NH+]1CCN(CC[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000058363285 507409379 /nfs/dbraw/zinc/40/93/79/507409379.db2.gz RQKHXADAPXADFL-UHFFFAOYSA-N 2 0 367.497 2.560 50 0 FFAARP O[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1Cl ZINC000072230588 507771164 /nfs/dbraw/zinc/77/11/64/507771164.db2.gz VKBGWVRKRYFGTP-IBGZPJMESA-N 2 0 352.906 2.808 50 0 FFAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3[nH]c4ccccc4c3C)CC[C@H]21 ZINC000072426806 507788864 /nfs/dbraw/zinc/78/88/64/507788864.db2.gz ZYRWDILAQNEWGU-OXJNMPFZSA-N 2 0 354.498 2.509 50 0 FFAARP Fc1ccccc1[C@@H](CNc1ncnc2c1CC[NH2+]CC2)[NH+]1CCCC1 ZINC000072469454 507794780 /nfs/dbraw/zinc/79/47/80/507794780.db2.gz CILKAICKQTXQEM-LJQANCHMSA-N 2 0 355.461 2.553 50 0 FFAARP Cc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CC2CC[NH2+]CC2)C1 ZINC000072474465 507795682 /nfs/dbraw/zinc/79/56/82/507795682.db2.gz QECFZFQLMKTUCR-LEWJYISDSA-N 2 0 355.526 2.808 50 0 FFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1cccc(OC)c1)CC[NH+](C)CC2 ZINC000072476964 507796418 /nfs/dbraw/zinc/79/64/18/507796418.db2.gz DJQSNHHZKFYPAK-HXUWFJFHSA-N 2 0 373.541 2.550 50 0 FFAARP COc1ccc(C[NH+]2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cc1C ZINC000091781045 508012545 /nfs/dbraw/zinc/01/25/45/508012545.db2.gz VKGXFVHFYBGHAD-UHFFFAOYSA-N 2 0 373.541 2.770 50 0 FFAARP Cc1ccccc1-n1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000215469858 509248633 /nfs/dbraw/zinc/24/86/33/509248633.db2.gz IRVAIVPUQJWRMH-UHFFFAOYSA-N 2 0 367.541 2.640 50 0 FFAARP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c(Cl)nc3ccccn32)C[C@H](C)O1 ZINC000237608079 509688331 /nfs/dbraw/zinc/68/83/31/509688331.db2.gz NAYRYFUOPYNRMS-GASCZTMLSA-N 2 0 350.894 2.967 50 0 FFAARP CC(C)[NH+]1CCN(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)CC1 ZINC000426526305 513969265 /nfs/dbraw/zinc/96/92/65/513969265.db2.gz UTZGYRUESKPHSO-UHFFFAOYSA-N 2 0 358.530 2.602 50 0 FFAARP Cc1n[nH]c(C)c1CCC[N@@H+](C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023429342 969316972 /nfs/dbraw/zinc/31/69/72/969316972.db2.gz FCCHLCSRCQYLJY-RTWAWAEBSA-N 2 0 368.525 2.628 50 0 FFAARP O=C(NC1CC1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014744967 1021680907 /nfs/dbraw/zinc/68/09/07/1021680907.db2.gz UVKFCDZWEUWUQU-WOJBJXKFSA-N 2 0 355.526 2.542 50 0 FFAARP CC(C)[C@@H]1CN(C(=O)C2(c3ccccc3)CC[NH+](C)CC2)C[C@H]1[NH+](C)C ZINC000095369884 209033057 /nfs/dbraw/zinc/03/30/57/209033057.db2.gz WGOGTTKVXFRXOB-VQTJNVASSA-N 2 0 357.542 2.695 50 0 FFAARP Cc1cc(N2CCC([NH2+]CC3(COc4ccccc4)CC3)CC2)nc(N)[nH+]1 ZINC000095355301 132207325 /nfs/dbraw/zinc/20/73/25/132207325.db2.gz NRXNQUIKVBKWSD-UHFFFAOYSA-N 2 0 367.497 2.785 50 0 FFAARP Cc1cc(N2CCC[N@H+](Cc3cnc(-c4ccccn4)nc3)CC2)cc[nH+]1 ZINC000072156397 507762667 /nfs/dbraw/zinc/76/26/67/507762667.db2.gz MOHRHMDNTBUOBI-UHFFFAOYSA-N 2 0 360.465 2.954 50 0 FFAARP Fc1ccccc1[C@H](CNc1ncnc2c1CC[NH2+]CC2)[NH+]1CCCC1 ZINC000072469456 507794808 /nfs/dbraw/zinc/79/48/08/507794808.db2.gz CILKAICKQTXQEM-IBGZPJMESA-N 2 0 355.461 2.553 50 0 FFAARP O=C1[C@@H](c2ccccc2)CC2(CC[NH+](C3CC[NH2+]CC3)CC2)CN1C1CC1 ZINC000091526460 507991630 /nfs/dbraw/zinc/99/16/30/507991630.db2.gz QUGMUQRSGLUOTI-OAQYLSRUSA-N 2 0 367.537 2.999 50 0 FFAARP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000076017685 508151846 /nfs/dbraw/zinc/15/18/46/508151846.db2.gz JXHHNFGWTDIXLS-GUDVDZBRSA-N 2 0 365.562 2.504 50 0 FFAARP CC[NH+]1CCN(Cc2cc(C)cc(C[N@H+](C)CCn3ccnc3)c2C)CC1 ZINC000215842301 509252870 /nfs/dbraw/zinc/25/28/70/509252870.db2.gz JNLPULUSYDGRHA-UHFFFAOYSA-N 2 0 369.557 2.769 50 0 FFAARP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000230099198 509432116 /nfs/dbraw/zinc/43/21/16/509432116.db2.gz DJEQSVFKUJLLSX-MDNUFGMLSA-N 3 0 370.585 2.513 50 0 FFAARP [NH3+][C@H]1C[C@H](c2nnc(C[NH2+]CCc3c[nH]c4ccccc34)n2C2CC2)C1 ZINC000244673710 509864027 /nfs/dbraw/zinc/86/40/27/509864027.db2.gz HUICPAHGYJJALT-SHTZXODSSA-N 2 0 350.470 2.631 50 0 FFAARP CC(C)Oc1ccccc1OCC[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000244734736 509867168 /nfs/dbraw/zinc/86/71/68/509867168.db2.gz NKZMELZSBCEMAE-UHFFFAOYSA-N 2 0 361.530 2.612 50 0 FFAARP O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000244795387 509872438 /nfs/dbraw/zinc/87/24/38/509872438.db2.gz RFLSYRJTWMDHQE-NQIIRXRSSA-N 2 0 355.526 2.857 50 0 FFAARP C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH3+])cc2)[C@@H](Cc2ccccc2)C1 ZINC000426438917 513940755 /nfs/dbraw/zinc/94/07/55/513940755.db2.gz RDULQGHQXSHKJE-LEWJYISDSA-N 2 0 366.509 2.508 50 0 FFAARP COC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2Cl)CC12CC[NH2+]CC2 ZINC000169782385 728982661 /nfs/dbraw/zinc/98/26/61/728982661.db2.gz KWGAJGYFYMFFSC-HNNXBMFYSA-N 2 0 368.905 2.805 50 0 FFAARP CC(C)[NH2+]Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000012749588 988380855 /nfs/dbraw/zinc/38/08/55/988380855.db2.gz JHYZNVASBYJPNO-NRFANRHFSA-N 2 0 354.494 2.983 50 0 FFAARP Cc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)c(OCC[NH+](C)C)c1 ZINC000154646412 990337691 /nfs/dbraw/zinc/33/76/91/990337691.db2.gz HGNXSMKJSVVDJL-UHFFFAOYSA-N 2 0 360.502 2.684 50 0 FFAARP CC[NH+]1CCC(N(CCc2ccccn2)C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC001506398791 1059491155 /nfs/dbraw/zinc/49/11/55/1059491155.db2.gz XKYXVQZYJGSPHZ-NRFANRHFSA-N 2 0 366.509 2.637 50 0 FFAARP CC1(C)C[N@H+](Cc2cccc(Cl)c2)CC[C@@]1(O)C[NH+]1CCOCC1 ZINC000091872853 209003015 /nfs/dbraw/zinc/00/30/15/209003015.db2.gz VPRKQUFXDUNYCF-LJQANCHMSA-N 2 0 352.906 2.635 50 0 FFAARP [NH3+][C@H]1CCN(C(=O)C2(c3ccccc3)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095370054 209032698 /nfs/dbraw/zinc/03/26/98/209032698.db2.gz APIXIFOBVWTRRL-NRFANRHFSA-N 2 0 363.505 2.780 50 0 FFAARP CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)[C@@H]1C=CC[NH2+]1 ZINC000095497707 209059345 /nfs/dbraw/zinc/05/93/45/209059345.db2.gz HPSYJKRZWFXOBS-NRFANRHFSA-N 2 0 355.526 2.626 50 0 FFAARP CNc1nc(N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)cc(C)[nH+]1 ZINC000091665210 132202993 /nfs/dbraw/zinc/20/29/93/132202993.db2.gz LRVQSHYBUJOUMF-UHFFFAOYSA-N 2 0 369.517 2.560 50 0 FFAARP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccccc2N2CCOCC2)C[C@@H](C)O1 ZINC000066990492 132306079 /nfs/dbraw/zinc/30/60/79/132306079.db2.gz QDGPOTIPWBFZRA-RTBURBONSA-N 2 0 361.530 2.502 50 0 FFAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@H+]2CC=C(C)CC2)cc1OC ZINC000095526769 209076588 /nfs/dbraw/zinc/07/65/88/209076588.db2.gz LTIYOGXIDPORRR-LJQANCHMSA-N 2 0 362.514 2.929 50 0 FFAARP COCC[NH+]1CCC(C[NH+]2CCN(c3nc4cc(C)ccc4o3)CC2)CC1 ZINC000065383068 506290960 /nfs/dbraw/zinc/29/09/60/506290960.db2.gz IZISVZCEIRHFQP-UHFFFAOYSA-N 2 0 372.513 2.617 50 0 FFAARP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+]([C@H]3CCSC3)CC2)OC1=O ZINC000072410661 507785675 /nfs/dbraw/zinc/78/56/75/507785675.db2.gz XYRJNPDSELETSI-KRWDZBQOSA-N 2 0 369.575 2.757 50 0 FFAARP c1coc([C@H](Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)[NH+]2CCCC2)c1 ZINC000072418562 507786024 /nfs/dbraw/zinc/78/60/24/507786024.db2.gz LXLRXFHIWUPHNQ-SFHVURJKSA-N 2 0 366.469 2.670 50 0 FFAARP COc1ccc(C[NH+]2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)cc1 ZINC000091707795 508004236 /nfs/dbraw/zinc/00/42/36/508004236.db2.gz XCICATBMCQUHRB-LJQANCHMSA-N 2 0 371.525 2.604 50 0 FFAARP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCC1 ZINC000091713406 508005171 /nfs/dbraw/zinc/00/51/71/508005171.db2.gz YRCPGVWUOVDIIQ-HXUWFJFHSA-N 2 0 367.537 2.563 50 0 FFAARP Cc1cc(C)c(C[N@H+]2CCCN(C)C3(CC[NH2+]CC3)C2)c(-n2cccn2)c1 ZINC000216220418 509258398 /nfs/dbraw/zinc/25/83/98/509258398.db2.gz YXMWYQQELVTJOO-UHFFFAOYSA-N 2 0 367.541 2.749 50 0 FFAARP CCn1c(CN2CC=C(c3ccc(F)cc3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244872869 509874157 /nfs/dbraw/zinc/87/41/57/509874157.db2.gz WFTNULCTCPZZQB-SAABIXHNSA-N 2 0 355.461 2.931 50 0 FFAARP C[NH2+]Cc1nnc(SC[C@@H]2CCC[C@H]([NH3+])C2)n1-c1cccc(OC)c1 ZINC000426422902 513936225 /nfs/dbraw/zinc/93/62/25/513936225.db2.gz LSLQSMCRBCDNSE-KGLIPLIRSA-N 2 0 361.515 2.605 50 0 FFAARP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000252516537 526467500 /nfs/dbraw/zinc/46/75/00/526467500.db2.gz TYWYNSCZJLXCTE-FCHUYYIVSA-N 2 0 357.542 2.695 50 0 FFAARP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCSC1 ZINC000107538935 570897319 /nfs/dbraw/zinc/89/73/19/570897319.db2.gz SYHVNWRHBHYFLL-HOTGVXAUSA-N 2 0 367.584 2.514 50 0 FFAARP Cn1cccc1C[NH+]1CCC2(C[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000169750474 994428133 /nfs/dbraw/zinc/42/81/33/994428133.db2.gz DNFQKZQPCGYHKS-HXUWFJFHSA-N 2 0 353.510 2.732 50 0 FFAARP C/C=C(\C)C[N@@H+]1CCCn2nc(CN(C)C[C@@]3(C)CC[NH+](C)C3)cc2C1 ZINC000107437398 209274844 /nfs/dbraw/zinc/27/48/44/209274844.db2.gz ZEIDXWXCYXRLSU-SQDHZICKSA-N 2 0 359.562 2.829 50 0 FFAARP Cc1cc2cccc(C(=O)N3CC[NH+](CC4CC[NH+](C)CC4)CC3)c2o1 ZINC000097759452 209197414 /nfs/dbraw/zinc/19/74/14/209197414.db2.gz KODAJIFUILOLKV-UHFFFAOYSA-N 2 0 355.482 2.841 50 0 FFAARP CSCCC[N@@H+]1CCC2(CC[NH+](Cc3cccnc3)CC2)[C@@H](CO)C1 ZINC000097522132 209183717 /nfs/dbraw/zinc/18/37/17/209183717.db2.gz KEKJKXZQKHFLGU-LJQANCHMSA-N 2 0 363.571 2.731 50 0 FFAARP CC(C)CC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000011820925 207323819 /nfs/dbraw/zinc/32/38/19/207323819.db2.gz WMWRPSRPPIWDOC-IBGZPJMESA-N 2 0 372.557 2.920 50 0 FFAARP O=C(N1CC[NH2+]CC1)C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000095373995 209036388 /nfs/dbraw/zinc/03/63/88/209036388.db2.gz XCRNBGVVXMSKHL-UHFFFAOYSA-N 2 0 363.505 2.652 50 0 FFAARP COCC[NH+]1CCC(C[NH+](Cc2ccncc2)Cc2ccncc2)CC1 ZINC000055211410 506699025 /nfs/dbraw/zinc/69/90/25/506699025.db2.gz JHZXWSNMDUZPDV-UHFFFAOYSA-N 2 0 354.498 2.837 50 0 FFAARP CC(=O)c1cccc(C[NH+]2CCC(CCC(=O)NCC[NH+](C)C)CC2)c1 ZINC000012718081 506892607 /nfs/dbraw/zinc/89/26/07/506892607.db2.gz AGFIEVCQJZJFAO-UHFFFAOYSA-N 2 0 359.514 2.559 50 0 FFAARP CCCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000067642276 506960213 /nfs/dbraw/zinc/96/02/13/506960213.db2.gz NZTRVUVZSFJPBA-SFHVURJKSA-N 2 0 358.530 2.674 50 0 FFAARP Cc1nc(NC[C@@H]2Cc3ccccc3C[N@H+]2C)cc(C2CC[NH2+]CC2)n1 ZINC000067654186 506963951 /nfs/dbraw/zinc/96/39/51/506963951.db2.gz MLCPDNKAEXJBPX-IBGZPJMESA-N 2 0 351.498 2.721 50 0 FFAARP COc1ccccc1/C=C/C[NH+]1CCC(n2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000023582086 507360332 /nfs/dbraw/zinc/36/03/32/507360332.db2.gz FQIHOQAISCRDHQ-SOFGYWHQSA-N 2 0 355.486 2.831 50 0 FFAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC[NH+](Cc2cccs2)CC1 ZINC000058214719 507386180 /nfs/dbraw/zinc/38/61/80/507386180.db2.gz YNMUQXVHTHTDEQ-HXUWFJFHSA-N 2 0 373.566 2.749 50 0 FFAARP Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CN2 ZINC000069328811 507467030 /nfs/dbraw/zinc/46/70/30/507467030.db2.gz ICMMKRMTPJIQDW-PMACEKPBSA-N 2 0 353.514 2.735 50 0 FFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1ccc(OC)cc1)CC[NH+](C)CC2 ZINC000072407022 507783724 /nfs/dbraw/zinc/78/37/24/507783724.db2.gz PWQMSHYGEGHMSF-HXUWFJFHSA-N 2 0 373.541 2.850 50 0 FFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NC1(c3ccccc3)CC1)CC[NH+](C)CC2 ZINC000072480424 507797902 /nfs/dbraw/zinc/79/79/02/507797902.db2.gz CYGDPRSOAMAUJK-LJQANCHMSA-N 2 0 355.526 2.988 50 0 FFAARP Cc1cc(-n2cccn2)ccc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091493911 507990004 /nfs/dbraw/zinc/99/00/04/507990004.db2.gz AVDUICDOTGWBTN-NHCUHLMSSA-N 2 0 368.525 2.707 50 0 FFAARP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000091665620 508001156 /nfs/dbraw/zinc/00/11/56/508001156.db2.gz WYHCECQYIYIVCE-UHFFFAOYSA-N 2 0 365.468 2.731 50 0 FFAARP Nc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000219522474 509289578 /nfs/dbraw/zinc/28/95/78/509289578.db2.gz UXMAHOGSXLTRPR-UHFFFAOYSA-N 2 0 367.497 2.621 50 0 FFAARP CC(C)c1nnc([C@H]2C[N@H+](C)CC23CC[NH+](Cc2ccccn2)CC3)o1 ZINC000257175642 509946601 /nfs/dbraw/zinc/94/66/01/509946601.db2.gz QEDLEILFPUEMOA-QGZVFWFLSA-N 2 0 355.486 2.899 50 0 FFAARP C[NH+]1CCC(C[NH+]2CCN(C(=O)Nc3ccc4ncccc4c3)CC2)CC1 ZINC000299771964 511674595 /nfs/dbraw/zinc/67/45/95/511674595.db2.gz YIBUSNYNNNAQCJ-UHFFFAOYSA-N 2 0 367.497 2.726 50 0 FFAARP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000426492801 513958553 /nfs/dbraw/zinc/95/85/53/513958553.db2.gz LYNHXOXWRHTOTB-FQEVSTJZSA-N 2 0 370.541 2.921 50 0 FFAARP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc2n(n1)CCC[NH+](C1CCCCC1)C2 ZINC000082121421 523791062 /nfs/dbraw/zinc/79/10/62/523791062.db2.gz GZSAJUPZMRCOGR-HXUWFJFHSA-N 2 0 373.545 2.522 50 0 FFAARP COc1ccc2c(c1)CC[N@H+]([C@@H]1c3ccccc3C3(CC[NH2+]CC3)[C@H]1O)C2 ZINC000023580836 969470291 /nfs/dbraw/zinc/47/02/91/969470291.db2.gz KYHOQHPMFULQDN-YADHBBJMSA-N 2 0 364.489 2.790 50 0 FFAARP CC(C)[NH2+]Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000012749594 988381576 /nfs/dbraw/zinc/38/15/76/988381576.db2.gz JHYZNVASBYJPNO-OAQYLSRUSA-N 2 0 354.494 2.983 50 0 FFAARP C[C@H]1CCC(=O)N1c1ccc(N2CCC([NH+]3CCC([NH3+])CC3)CC2)cc1 ZINC000063872213 991719350 /nfs/dbraw/zinc/71/93/50/991719350.db2.gz MNVDIELHRHAZNU-INIZCTEOSA-N 2 0 356.514 2.594 50 0 FFAARP CCC[NH+]1CCC([N@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)CC1 ZINC001529126376 1062177995 /nfs/dbraw/zinc/17/79/95/1062177995.db2.gz HWPNNJPHSCUHIO-XMSQKQJNSA-N 2 0 353.510 2.944 50 0 FFAARP Cc1cc(C[C@@H]2C[N@H+](Cc3cc(C[NH+]4CCCCC4)cs3)C[C@H]2O)[nH]n1 ZINC001529161798 1062194516 /nfs/dbraw/zinc/19/45/16/1062194516.db2.gz QHAPWCIATPPMRM-YLJYHZDGSA-N 2 0 374.554 2.801 50 0 FFAARP C[C@@H](C1CC[NH+](CCCOCc2ccccc2)CC1)[NH+]1CCN(C)CC1 ZINC001529174566 1062202625 /nfs/dbraw/zinc/20/26/25/1062202625.db2.gz VUIXGQDORVTYCL-FQEVSTJZSA-N 2 0 359.558 2.941 50 0 FFAARP COCCC[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000011839819 207323851 /nfs/dbraw/zinc/32/38/51/207323851.db2.gz NHHWSMPAQHYFTA-NRFANRHFSA-N 2 0 372.509 2.684 50 0 FFAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000012593611 207398063 /nfs/dbraw/zinc/39/80/63/207398063.db2.gz KTZDFFOACLOICC-UHFFFAOYSA-N 2 0 374.554 2.966 50 0 FFAARP Cc1cc(F)ccc1N1CCC([NH2+]Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000082138839 132197126 /nfs/dbraw/zinc/19/71/26/132197126.db2.gz IWWAMRLLZOFXIW-UHFFFAOYSA-N 2 0 357.477 2.583 50 0 FFAARP Cc1nc(NCC[N@@H+]2CCc3ccccc3C2)cc(C2CC[NH2+]CC2)n1 ZINC000067696784 506977712 /nfs/dbraw/zinc/97/77/12/506977712.db2.gz TXNDMAKUWRCWDK-UHFFFAOYSA-N 2 0 351.498 2.722 50 0 FFAARP CN(C)c1cccc(C[NH2+][C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)c1 ZINC000072156802 507763239 /nfs/dbraw/zinc/76/32/39/507763239.db2.gz UWSMCEOEHQQACD-RTWAWAEBSA-N 2 0 351.494 2.579 50 0 FFAARP c1c(CN2CCC[N@@H+](CCCc3ccccc3)CC2)nn2c1C[NH2+]CCC2 ZINC000072158283 507764059 /nfs/dbraw/zinc/76/40/59/507764059.db2.gz SOUFEEGXHRPHCD-UHFFFAOYSA-N 2 0 367.541 2.517 50 0 FFAARP C[N@@H+]1CC2(C[C@@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1)CC[NH2+]CC2 ZINC000072454684 507793411 /nfs/dbraw/zinc/79/34/11/507793411.db2.gz PNIYJOKZTPBDQI-GOSISDBHSA-N 2 0 361.917 2.905 50 0 FFAARP CC(C)c1ccc(OCCN(C)C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)cc1 ZINC000072478912 507796954 /nfs/dbraw/zinc/79/69/54/507796954.db2.gz QJUASXFGBAJNRU-FQEVSTJZSA-N 2 0 373.541 2.721 50 0 FFAARP C[N@H+](Cc1ccccc1OCCN1CC[NH+](C)CC1)C1CCSCC1 ZINC000216053515 509254808 /nfs/dbraw/zinc/25/48/08/509254808.db2.gz DUPNJFLORTTZAC-UHFFFAOYSA-N 2 0 363.571 2.640 50 0 FFAARP Cc1cc(C)c(C[NH+]2CCC(CCO)CC2)cc1CN1CC[NH+](C)CC1 ZINC000219773726 509292109 /nfs/dbraw/zinc/29/21/09/509292109.db2.gz LUGJMGHQXSISCT-UHFFFAOYSA-N 2 0 359.558 2.645 50 0 FFAARP OCC[NH+]1CCC([C@H]2c3nccn3CCC[N@H+]2Cc2ccccc2)CC1 ZINC000257188220 509950103 /nfs/dbraw/zinc/95/01/03/509950103.db2.gz DRIVANZXXBTJNM-FQEVSTJZSA-N 2 0 354.498 2.534 50 0 FFAARP CC(C)C[N@@H+]1CC[C@H](c2nnc3n2CC[NH+](Cc2ccccc2)CC3)C1 ZINC000257194189 509952991 /nfs/dbraw/zinc/95/29/91/509952991.db2.gz STGXBNUMOLSBER-IBGZPJMESA-N 2 0 353.514 2.782 50 0 FFAARP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)(c2ccccc2)CC1 ZINC000299780567 511679470 /nfs/dbraw/zinc/67/94/70/511679470.db2.gz OCOYGECWURCWMB-GOSISDBHSA-N 2 0 357.542 2.887 50 0 FFAARP C[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000426479085 513952737 /nfs/dbraw/zinc/95/27/37/513952737.db2.gz YBFHSUBBWSOTNO-HXUWFJFHSA-N 2 0 358.530 2.951 50 0 FFAARP COc1cc(CN2CCCC[C@H]2C[NH3+])ccc1OCC[NH+]1CCCCC1 ZINC000216355009 522373393 /nfs/dbraw/zinc/37/33/93/522373393.db2.gz QEWIGXGUYMBLPZ-IBGZPJMESA-N 2 0 361.530 2.873 50 0 FFAARP CCc1cc(N2CCC([NH+]3CC(c4ccccn4)C3)CC2)nc(N(C)C)[nH+]1 ZINC000095523861 536144912 /nfs/dbraw/zinc/14/49/12/536144912.db2.gz ZCXXXTMUQWZDAQ-UHFFFAOYSA-N 2 0 366.513 2.568 50 0 FFAARP Cc1ccccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420820 570906221 /nfs/dbraw/zinc/90/62/21/570906221.db2.gz CJGSJMJYUQJVFN-NRFANRHFSA-N 2 0 351.494 2.982 50 0 FFAARP CC(C)CC[NH2+][C@H]1CCc2c(sc3ncn(CC[NH+](C)C)c(=O)c32)C1 ZINC000012332046 845023133 /nfs/dbraw/zinc/02/31/33/845023133.db2.gz AWBCWLGPTOLOPJ-AWEZNQCLSA-N 2 0 362.543 2.513 50 0 FFAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc(O)c2)C[C@@H]2CCCO2)CC1 ZINC000012702757 1014919264 /nfs/dbraw/zinc/91/92/64/1014919264.db2.gz WIWDNEQYNXIYAV-NRFANRHFSA-N 2 0 362.514 2.732 50 0 FFAARP O=C(c1cccnc1)N1CCC([NH2+]Cc2ccccc2-n2ccnc2)CC1 ZINC000952984261 1011038850 /nfs/dbraw/zinc/03/88/50/1011038850.db2.gz ZFHIOLHSNAAJAH-UHFFFAOYSA-N 2 0 361.449 2.662 50 0 FFAARP CCOc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCOCC3)CC1)O[C@H](C)C2 ZINC000076682870 1023350598 /nfs/dbraw/zinc/35/05/98/1023350598.db2.gz HSIKPPXNBKHSTA-QGZVFWFLSA-N 2 0 374.525 2.953 50 0 FFAARP COc1cccc(NC(=O)CCC2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)c1 ZINC000102755911 209240732 /nfs/dbraw/zinc/24/07/32/209240732.db2.gz AUCGQNQUUARJMS-PMOLBWCYSA-N 2 0 357.498 2.591 50 0 FFAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccc(O)cc3)C2)CC1 ZINC000012473540 207383624 /nfs/dbraw/zinc/38/36/24/207383624.db2.gz UWKCEHJBKLQWKC-LJQANCHMSA-N 2 0 373.541 2.636 50 0 FFAARP COc1ccc(C[N@H+]2CCC(=O)N(CC[NH+]3CCCCC3)CC2)c(C)c1C ZINC000012508571 207384054 /nfs/dbraw/zinc/38/40/54/207384054.db2.gz JOURYLYBUHRVGP-UHFFFAOYSA-N 2 0 373.541 2.832 50 0 FFAARP CC(C)[NH+]1CCC(C(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)CC1 ZINC000095500233 209061030 /nfs/dbraw/zinc/06/10/30/209061030.db2.gz XSVSJCSRFOHCFN-HXUWFJFHSA-N 2 0 358.530 2.845 50 0 FFAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH+]2CCC(F)CC2)ccc1OC ZINC000095520255 209071837 /nfs/dbraw/zinc/07/18/37/209071837.db2.gz ZQUJJRNHQGYWQP-SFHVURJKSA-N 2 0 368.493 2.711 50 0 FFAARP Cc1ccc2cc(C[NH+]3CCCCC3)c(N3CC[NH+](CCO)CC3)nc2c1 ZINC000222997214 132278423 /nfs/dbraw/zinc/27/84/23/132278423.db2.gz SZBVNGLWOVJOBA-UHFFFAOYSA-N 2 0 368.525 2.643 50 0 FFAARP Cc1ccc(C2(C[N@H+](C)C[C@@H]3Cc4ccccc4O3)CC[NH2+]CC2)nc1 ZINC000065410162 506295362 /nfs/dbraw/zinc/29/53/62/506295362.db2.gz VVLREIYYBILSQB-IBGZPJMESA-N 2 0 351.494 2.947 50 0 FFAARP Cc1c[nH+]ccc1N1CCC[N@H+](CCn2c3ccccc3oc2=O)CC1 ZINC000067641686 506961018 /nfs/dbraw/zinc/96/10/18/506961018.db2.gz YOCDATWCBQYSBM-UHFFFAOYSA-N 2 0 352.438 2.510 50 0 FFAARP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000023337562 507348119 /nfs/dbraw/zinc/34/81/19/507348119.db2.gz ZHHSQTNLHMUBHI-IBGZPJMESA-N 2 0 370.541 2.817 50 0 FFAARP O=C(C[NH+]1CCC([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1)NC1CC1 ZINC000072149410 507759891 /nfs/dbraw/zinc/75/98/91/507759891.db2.gz HUTCLNXCGZJMKV-HXUWFJFHSA-N 2 0 355.526 2.542 50 0 FFAARP Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072165065 507767000 /nfs/dbraw/zinc/76/70/00/507767000.db2.gz VRPZHQZLFGRMJS-SFHVURJKSA-N 2 0 374.916 2.520 50 0 FFAARP CN1CCC[N@H+](C)CC12CC[NH+](Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000072418918 507786796 /nfs/dbraw/zinc/78/67/96/507786796.db2.gz JQSZYWOHHYPOMM-UHFFFAOYSA-N 2 0 373.585 2.992 50 0 FFAARP Cc1cc(C)n([C@H]2CC[N@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000244828584 509870865 /nfs/dbraw/zinc/87/08/65/509870865.db2.gz TYVIYZJNUBKAKU-QFIPXVFZSA-N 2 0 367.541 2.565 50 0 FFAARP CCCC[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000253419695 509881081 /nfs/dbraw/zinc/88/10/81/509881081.db2.gz RBUQBLBQZFDFNF-HXUWFJFHSA-N 2 0 374.573 2.825 50 0 FFAARP Cc1cc(N2CCCN(C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)CC2)cc[nH+]1 ZINC000426489952 513956704 /nfs/dbraw/zinc/95/67/04/513956704.db2.gz CGGLTJXLXQHDEL-LJQANCHMSA-N 2 0 373.545 2.590 50 0 FFAARP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+](C)Cc3ccccc3)CC2)C1 ZINC000584891509 518526849 /nfs/dbraw/zinc/52/68/49/518526849.db2.gz GMSVZFPJHWUFBT-IBGZPJMESA-N 2 0 358.530 2.777 50 0 FFAARP C[N@@H+]1C[C@@H](CO)C2(C1)CC[NH+](Cc1cccc(Br)c1)CC2 ZINC000169782035 728982876 /nfs/dbraw/zinc/98/28/76/728982876.db2.gz CSADZFVDWPROJR-HNNXBMFYSA-N 2 0 353.304 2.585 50 0 FFAARP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000581808642 971108398 /nfs/dbraw/zinc/10/83/98/971108398.db2.gz ZWMCSYWXIVZFIE-IBGZPJMESA-N 2 0 374.529 2.735 50 0 FFAARP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000952972202 1011017218 /nfs/dbraw/zinc/01/72/18/1011017218.db2.gz WQJTYQWKKKHQPM-FQEVSTJZSA-N 2 0 371.525 2.561 50 0 FFAARP CCOc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCOCC3)CC1)O[C@@H](C)C2 ZINC000076682872 1023350448 /nfs/dbraw/zinc/35/04/48/1023350448.db2.gz HSIKPPXNBKHSTA-KRWDZBQOSA-N 2 0 374.525 2.953 50 0 FFAARP Cc1nc(-c2ccc(C[NH+]3CCN(C)CC3)cc2)n(-c2cc[nH+]c(C)c2)n1 ZINC000097785206 209197422 /nfs/dbraw/zinc/19/74/22/209197422.db2.gz ACVRKDLCAZWLTH-UHFFFAOYSA-N 2 0 362.481 2.694 50 0 FFAARP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000097057179 209168838 /nfs/dbraw/zinc/16/88/38/209168838.db2.gz DJEQSVFKUJLLSX-ACIOBRDBSA-N 3 0 370.585 2.513 50 0 FFAARP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000299738832 208324034 /nfs/dbraw/zinc/32/40/34/208324034.db2.gz HBEANVDYCULMOO-HNJRGHQBSA-N 2 0 359.514 2.567 50 0 FFAARP [NH3+]CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)cc1 ZINC000091965006 209008140 /nfs/dbraw/zinc/00/81/40/209008140.db2.gz YRRCWZXTYVDPNN-IFMALSPDSA-N 2 0 363.505 2.924 50 0 FFAARP COc1cccc([C@@]2(C[NH+]3CCN(c4cc[nH+]c(C)c4)CC3)CCOC2)c1 ZINC000215050366 132269961 /nfs/dbraw/zinc/26/99/61/132269961.db2.gz URRKKMHJUFSFIR-JOCHJYFZSA-N 2 0 367.493 2.879 50 0 FFAARP O=C(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1cccc(Cl)c1 ZINC000065397618 506292724 /nfs/dbraw/zinc/29/27/24/506292724.db2.gz WDNJCGZTFSHTOR-UHFFFAOYSA-N 2 0 358.873 2.564 50 0 FFAARP O=C([C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](CCc2ccccc2)C1)N1CCCC1 ZINC000014748906 506999067 /nfs/dbraw/zinc/99/90/67/506999067.db2.gz OYOZMJMHWHRYKX-FGZHOGPDSA-N 2 0 369.553 2.885 50 0 FFAARP COc1cc2c(cc1C[N@@H+]1CCCN(c3cc[nH+]c(C)c3)CC1)OCO2 ZINC000072154329 507762641 /nfs/dbraw/zinc/76/26/41/507762641.db2.gz AQUCECRKNNQHLQ-UHFFFAOYSA-N 2 0 355.438 2.840 50 0 FFAARP COc1ccc(C[NH2+][C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)cc1OC ZINC000072154686 507763438 /nfs/dbraw/zinc/76/34/38/507763438.db2.gz UIAZJNYAMHNNMH-RTWAWAEBSA-N 2 0 368.477 2.530 50 0 FFAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC000091806994 508014229 /nfs/dbraw/zinc/01/42/29/508014229.db2.gz MXYLMVUVTPIMSG-LJQANCHMSA-N 2 0 355.526 2.857 50 0 FFAARP C[C@@H](C1CC[NH+](Cc2cnc(-c3ccco3)nc2)CC1)[NH+]1CCN(C)CC1 ZINC000077504006 508324910 /nfs/dbraw/zinc/32/49/10/508324910.db2.gz UJENIPJXURQOIC-KRWDZBQOSA-N 2 0 369.513 2.585 50 0 FFAARP O=C(NC1CC[NH+](Cc2cccnc2)CC1)C1([NH+]2CCCC2)CCCCC1 ZINC000219606955 509290427 /nfs/dbraw/zinc/29/04/27/509290427.db2.gz LPYIELAJIANATI-UHFFFAOYSA-N 2 0 370.541 2.961 50 0 FFAARP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000230099188 509430946 /nfs/dbraw/zinc/43/09/46/509430946.db2.gz DJEQSVFKUJLLSX-YMPZKCBVSA-N 3 0 370.585 2.513 50 0 FFAARP Clc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC000166066724 509594409 /nfs/dbraw/zinc/59/44/09/509594409.db2.gz XFCFIISPYICRJF-HLIPFELVSA-N 2 0 363.933 2.930 50 0 FFAARP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000252586531 509854951 /nfs/dbraw/zinc/85/49/51/509854951.db2.gz QRMWNZWYSRBYOG-UWWQBHOKSA-N 2 0 354.441 2.823 50 0 FFAARP O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000244673951 509863563 /nfs/dbraw/zinc/86/35/63/509863563.db2.gz HYSFLMDAKZRNHM-FCHUYYIVSA-N 2 0 361.489 2.679 50 0 FFAARP Fc1ccc(OC2CN(CCN3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000244787617 509869640 /nfs/dbraw/zinc/86/96/40/509869640.db2.gz QAJNBNYSJLNABL-UHFFFAOYSA-N 2 0 369.484 2.707 50 0 FFAARP CN(Cc1ccc(C(F)(F)F)cc1)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000244899638 509877934 /nfs/dbraw/zinc/87/79/34/509877934.db2.gz ZNEWKEQHPCOJEE-BJHJDKERSA-N 2 0 351.376 2.919 50 0 FFAARP [NH3+]CCOc1ccc(F)cc1C(=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000426485978 513955088 /nfs/dbraw/zinc/95/50/88/513955088.db2.gz CLWZOYKOKQESCG-UHFFFAOYSA-N 2 0 363.477 2.644 50 0 FFAARP O=C(NCC[C@@H]1CCCC[NH2+]1)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000426485524 513955589 /nfs/dbraw/zinc/95/55/89/513955589.db2.gz BINVICOCIIYAIO-NRFANRHFSA-N 2 0 372.557 2.773 50 0 FFAARP Cc1noc(C)c1C[N@H+]1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000426575017 513984357 /nfs/dbraw/zinc/98/43/57/513984357.db2.gz NLKHTKOLMAYWCG-KRWDZBQOSA-N 2 0 372.517 2.785 50 0 FFAARP Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)c(OCCC[NH3+])c1 ZINC000426648204 514005138 /nfs/dbraw/zinc/00/51/38/514005138.db2.gz WBBVPWUWALPSDI-SFHVURJKSA-N 2 0 359.514 2.813 50 0 FFAARP COCC[N@H+](C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1)CC(C)(C)CO ZINC000012704176 1014919872 /nfs/dbraw/zinc/91/98/72/1014919872.db2.gz HKNWSSTUKMGZKR-LJQANCHMSA-N 2 0 374.569 2.833 50 0 FFAARP Cc1cccc(-c2ncc(C[N@H+]3CCC[C@@](O)(C[NH+](C)C)CC3)cn2)c1 ZINC000072168280 1019837813 /nfs/dbraw/zinc/83/78/13/1019837813.db2.gz WDVNKSXMTNMNLO-NRFANRHFSA-N 2 0 354.498 2.731 50 0 FFAARP COCc1nc(NCC2CC[NH+](C3CCCC3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000252537246 209938507 /nfs/dbraw/zinc/93/85/07/209938507.db2.gz KTYHLKJTMMXHDY-CALCHBBNSA-N 2 0 373.545 2.894 50 0 FFAARP CC[C@H](C)C[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012304246 207355089 /nfs/dbraw/zinc/35/50/89/207355089.db2.gz DKKUZKSVXCEDAF-SFHVURJKSA-N 2 0 372.557 2.920 50 0 FFAARP COCC[NH+]1CCC(C[N@H+](CCCn2cccn2)Cc2ccncc2)CC1 ZINC000012320702 207360159 /nfs/dbraw/zinc/36/01/59/207360159.db2.gz GKQLWUVZSGKKKD-UHFFFAOYSA-N 2 0 371.529 2.529 50 0 FFAARP CSCC[NH+]1CCC(NC(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000095369947 209032995 /nfs/dbraw/zinc/03/29/95/209032995.db2.gz PZFYMDBAKYJORG-SFHVURJKSA-N 2 0 361.555 2.711 50 0 FFAARP Cc1ccc([C@H](C[NH2+]C2CCN(c3cc(C)[nH+]c(N)n3)CC2)N(C)C)cc1 ZINC000095379655 132209554 /nfs/dbraw/zinc/20/95/54/132209554.db2.gz OPBIJFRGRMADHR-IBGZPJMESA-N 2 0 368.529 2.537 50 0 FFAARP [NH3+]CCOc1ccc(F)cc1C(=O)NCC1([NH+]2CCCCC2)CCCC1 ZINC000426474263 263597942 /nfs/dbraw/zinc/59/79/42/263597942.db2.gz MEWKYWFFXWXBFM-UHFFFAOYSA-N 2 0 363.477 2.692 50 0 FFAARP Cc1ccc(OC2(C(=O)N3CCC([NH+]4CCCC4)CC3)CC[NH2+]CC2)cc1 ZINC000065406766 506294872 /nfs/dbraw/zinc/29/48/72/506294872.db2.gz GPKVNUOUWVIGRV-UHFFFAOYSA-N 2 0 371.525 2.583 50 0 FFAARP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000007346269 506554617 /nfs/dbraw/zinc/55/46/17/506554617.db2.gz SLCWQNRLCOQURR-QZTJIDSGSA-N 2 0 358.530 2.745 50 0 FFAARP CCCCSc1ncc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)cn1 ZINC000067697239 506978494 /nfs/dbraw/zinc/97/84/94/506978494.db2.gz ZESDJKPSMWMRAN-UHFFFAOYSA-N 2 0 363.575 2.581 50 0 FFAARP C[NH+](C)C1(CNc2nc(-c3ccncc3)nc3c2CC[NH2+]C3)CCCCC1 ZINC000067769917 507004443 /nfs/dbraw/zinc/00/44/43/507004443.db2.gz RKKCIPRFUITBOU-UHFFFAOYSA-N 2 0 366.513 2.861 50 0 FFAARP Cc1cc2ncn(C[C@@H](O)C[NH+]3CCC(CC[NH+](C)C)CC3)c2cc1C ZINC000056521727 507037092 /nfs/dbraw/zinc/03/70/92/507037092.db2.gz IAUCPBMUPWJSQY-IBGZPJMESA-N 2 0 358.530 2.678 50 0 FFAARP Cc1nc(NCC[N@@H+]2CCc3ccccc3C2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000067907961 507048166 /nfs/dbraw/zinc/04/81/66/507048166.db2.gz XIRHIIOYMCUUJE-GOSISDBHSA-N 2 0 351.498 2.722 50 0 FFAARP c1c(C[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)nn2c1C[NH2+]CCC2 ZINC000072164947 507766308 /nfs/dbraw/zinc/76/63/08/507766308.db2.gz HLGNKQIUQCYZHF-MRXNPFEDSA-N 2 0 364.497 2.707 50 0 FFAARP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](Cc1cccc(F)c1F)CC2 ZINC000091547550 507992209 /nfs/dbraw/zinc/99/22/09/507992209.db2.gz VDVUHEPEXGUXSQ-UHFFFAOYSA-N 2 0 365.468 2.731 50 0 FFAARP Cc1noc(C)c1C[NH+]1CCC2(CC1)CC[N@H+](Cc1ccoc1)C[C@@H]2CO ZINC000097681969 508228118 /nfs/dbraw/zinc/22/81/18/508228118.db2.gz KPSFSIFBYQLSHV-LJQANCHMSA-N 2 0 373.497 2.981 50 0 FFAARP CN1C[C@@]2(CC[N@H+](Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)OC1=O ZINC000215777686 509251769 /nfs/dbraw/zinc/25/17/69/509251769.db2.gz VTMQLQRHBMHJCP-OAQYLSRUSA-N 2 0 373.497 2.578 50 0 FFAARP CC[NH+]1CCN(C2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)CC1 ZINC000019888845 521672059 /nfs/dbraw/zinc/67/20/59/521672059.db2.gz MDWXRFSMYLSSEY-UHFFFAOYSA-N 2 0 370.585 2.753 50 0 FFAARP C[N@H+](CCO)C[C@@H]1C[NH+](Cc2cccc3c4ccccc4oc32)C[C@@H]1CO ZINC000091604770 522881072 /nfs/dbraw/zinc/88/10/72/522881072.db2.gz HROOJUDHCFIGLL-QZTJIDSGSA-N 2 0 368.477 2.550 50 0 FFAARP Cc1ccccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420822 570906579 /nfs/dbraw/zinc/90/65/79/570906579.db2.gz CJGSJMJYUQJVFN-OAQYLSRUSA-N 2 0 351.494 2.982 50 0 FFAARP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](CCSc2ccccc2)CC1 ZINC001506430428 1059516817 /nfs/dbraw/zinc/51/68/17/1059516817.db2.gz ZMXAIHASBNXTKY-LJQANCHMSA-N 2 0 361.555 2.701 50 0 FFAARP CCC[NH+]1CCC([NH+]2CCC(Cn3cc(-c4cccnc4)nn3)CC2)CC1 ZINC000063868716 212036151 /nfs/dbraw/zinc/03/61/51/212036151.db2.gz LOQXCDVJQMALEO-UHFFFAOYSA-N 2 0 368.529 2.927 50 0 FFAARP COc1ccccc1C[N@H+](C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000020203748 220318118 /nfs/dbraw/zinc/31/81/18/220318118.db2.gz BBUHGHHCYPPQJJ-RTWAWAEBSA-N 2 0 352.478 2.864 50 0 FFAARP CCn1c(CC2CC[NH+](Cc3ccc([C@@H](C)[NH+](C)C)cc3)CC2)n[nH]c1=O ZINC000071661888 221354015 /nfs/dbraw/zinc/35/40/15/221354015.db2.gz HFVVDVKONGZNPN-MRXNPFEDSA-N 2 0 371.529 2.669 50 0 FFAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2cnn(C)c2)CC1 ZINC000012003536 506807997 /nfs/dbraw/zinc/80/79/97/506807997.db2.gz IPWDZAICXOABOM-UHFFFAOYSA-N 2 0 356.514 2.815 50 0 FFAARP COCC[NH+]1CCC(C[N@H+](CCCSC)Cc2ccncc2)CC1 ZINC000012075006 506813718 /nfs/dbraw/zinc/81/37/18/506813718.db2.gz RVNIUXXYTIEDRL-UHFFFAOYSA-N 2 0 351.560 2.995 50 0 FFAARP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC(CC[NH+](C)C)CC3)c2cc1C ZINC000056521725 507036144 /nfs/dbraw/zinc/03/61/44/507036144.db2.gz IAUCPBMUPWJSQY-LJQANCHMSA-N 2 0 358.530 2.678 50 0 FFAARP CN1CC[NH+](CCCC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000058354630 507407579 /nfs/dbraw/zinc/40/75/79/507407579.db2.gz FCSLJCBCOFVZPR-UHFFFAOYSA-N 2 0 361.921 2.847 50 0 FFAARP CC(C)Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cc1 ZINC000091452144 507987080 /nfs/dbraw/zinc/98/70/80/507987080.db2.gz KEEBKQWVLQMUCT-DHIUTWEWSA-N 2 0 373.585 2.563 50 0 FFAARP CC1(C)C[N@H+](Cc2ccccc2Cl)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000091526676 507991653 /nfs/dbraw/zinc/99/16/53/507991653.db2.gz STSIFPNIAWRMBB-IBGZPJMESA-N 2 0 352.906 2.635 50 0 FFAARP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3cc4ccccc4s3)C[C@@H]2CO)CC1 ZINC000091695534 508003310 /nfs/dbraw/zinc/00/33/10/508003310.db2.gz OQZFNAUAQPMXOQ-RTBURBONSA-N 2 0 373.566 2.579 50 0 FFAARP COc1cc(C[NH+]2CCC(F)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095521993 508194703 /nfs/dbraw/zinc/19/47/03/508194703.db2.gz XTXHSKMQWGWOJW-GOSISDBHSA-N 2 0 368.493 2.709 50 0 FFAARP c1sc(C[N@@H+]2CCCN(c3ncccn3)CC2)cc1C[NH+]1CCCC1 ZINC000214978164 509242864 /nfs/dbraw/zinc/24/28/64/509242864.db2.gz QQDYAFYTMKNOMN-UHFFFAOYSA-N 2 0 357.527 2.846 50 0 FFAARP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000252586529 509854309 /nfs/dbraw/zinc/85/43/09/509854309.db2.gz QRMWNZWYSRBYOG-KYJSFNMBSA-N 2 0 354.441 2.823 50 0 FFAARP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]CC2(C)COC2)CC1 ZINC000512059197 516135449 /nfs/dbraw/zinc/13/54/49/516135449.db2.gz RGIGYHSCQLVLPB-UHFFFAOYSA-N 2 0 357.420 2.583 50 0 FFAARP COc1cc(C[NH+](C)C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000020867011 522345611 /nfs/dbraw/zinc/34/56/11/522345611.db2.gz HNNABIJFEZPISZ-GOSISDBHSA-N 2 0 350.503 2.761 50 0 FFAARP COc1ccc([C@H](C)[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)cc1OC ZINC000685941765 571102094 /nfs/dbraw/zinc/10/20/94/571102094.db2.gz BCISSKALHFEXTL-YOEHRIQHSA-N 2 0 357.454 2.690 50 0 FFAARP COc1ccc(C[N@H+](C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)cc1O ZINC000020535980 970502828 /nfs/dbraw/zinc/50/28/28/970502828.db2.gz VJTLSFNLUVMPSS-RTWAWAEBSA-N 2 0 368.477 2.570 50 0 FFAARP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000012075423 988073638 /nfs/dbraw/zinc/07/36/38/988073638.db2.gz CHXWIMJTRIFXRS-GOSISDBHSA-N 2 0 370.541 2.817 50 0 FFAARP COCC[NH+]1CCC(C[N@@H+]2CC[C@@H](c3sccc3C)[C@H](O)C2)CC1 ZINC000065388187 221209521 /nfs/dbraw/zinc/20/95/21/221209521.db2.gz FRIVDVZWERNREM-QZTJIDSGSA-N 2 0 352.544 2.565 50 0 FFAARP CC[NH+]1CCN(CCn2cc(C[N@@H+]3CCC4(CCCC4)C3)c(C)n2)CC1 ZINC000065526490 221229414 /nfs/dbraw/zinc/22/94/14/221229414.db2.gz WPAZSDSDBMIKKK-UHFFFAOYSA-N 2 0 359.562 2.595 50 0 FFAARP Cc1ccccc1[C@@H]1CC[N@@H+](CCNc2nc(C)nc3c2CC[NH2+]C3)C1 ZINC000067674481 221268163 /nfs/dbraw/zinc/26/81/63/221268163.db2.gz BQQRYVTZCXGLMR-QGZVFWFLSA-N 2 0 351.498 2.641 50 0 FFAARP CCCCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000097162666 222166448 /nfs/dbraw/zinc/16/64/48/222166448.db2.gz PSFQIOVHGFIIGB-CTNGQTDRSA-N 2 0 373.541 2.946 50 0 FFAARP Cc1nc2ccccn2c1C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](C)CC1 ZINC000102546925 222299891 /nfs/dbraw/zinc/29/98/91/222299891.db2.gz YDEOZLCECGRFDE-LJQANCHMSA-N 2 0 355.530 2.635 50 0 FFAARP Cc1nc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000012386969 506858026 /nfs/dbraw/zinc/85/80/26/506858026.db2.gz ISGDLTCXNXQSPG-INIZCTEOSA-N 2 0 364.559 2.653 50 0 FFAARP Cc1ccc([C@H](C)CC[NH+]2CCC3(CN(CC[NH+](C)C)C(=O)O3)CC2)o1 ZINC000072410393 507785532 /nfs/dbraw/zinc/78/55/32/507785532.db2.gz SDGKQESWTAUIKL-MRXNPFEDSA-N 2 0 363.502 2.930 50 0 FFAARP [NH3+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccccc3-c3ccco3)CC[C@H]21 ZINC000072453850 507793404 /nfs/dbraw/zinc/79/34/04/507793404.db2.gz OMQHWDVTYNAGOU-PKOBYXMFSA-N 2 0 353.466 2.718 50 0 FFAARP CCCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)o1 ZINC000092022588 508034563 /nfs/dbraw/zinc/03/45/63/508034563.db2.gz FUACYDDJIGKAMT-NRFANRHFSA-N 2 0 361.530 2.998 50 0 FFAARP Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)[nH]1 ZINC000215976246 509255155 /nfs/dbraw/zinc/25/51/55/509255155.db2.gz RDEKWDJPWHGXPX-GOSISDBHSA-N 2 0 357.502 2.823 50 0 FFAARP CC[N@@H+]1CCC[C@@H]1CSc1nnc(C[NH2+]C)n1-c1cccc(OC)c1 ZINC000426423040 513935748 /nfs/dbraw/zinc/93/57/48/513935748.db2.gz NTNDMMRIFDXCGS-OAHLLOKOSA-N 2 0 361.515 2.572 50 0 FFAARP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000426512360 513965436 /nfs/dbraw/zinc/96/54/36/513965436.db2.gz WSIROEQJUPOQSL-SFHVURJKSA-N 2 0 358.530 2.894 50 0 FFAARP Cc1ccccc1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)C[C@@H]1CCO ZINC000020449142 525142722 /nfs/dbraw/zinc/14/27/22/525142722.db2.gz AOENMNDFDSCWFZ-QFIPXVFZSA-N 2 0 359.558 2.736 50 0 FFAARP COCC[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000011936536 987794020 /nfs/dbraw/zinc/79/40/20/987794020.db2.gz XHVCFEJSKVVIEX-OAHLLOKOSA-N 2 0 354.454 2.881 50 0 FFAARP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000012075426 988207010 /nfs/dbraw/zinc/20/70/10/988207010.db2.gz CHXWIMJTRIFXRS-SFHVURJKSA-N 2 0 370.541 2.817 50 0 FFAARP [NH3+]Cc1cn(C[C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)nn1 ZINC000023430388 211388764 /nfs/dbraw/zinc/38/87/64/211388764.db2.gz ZULRZHZCZGBPKV-OAHLLOKOSA-N 2 0 368.510 2.773 50 0 FFAARP CN1CCN([C@H](C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c2cccs2)CC1 ZINC000022788482 211363798 /nfs/dbraw/zinc/36/37/98/211363798.db2.gz UKLKAHBZLPCCKT-QGZVFWFLSA-N 2 0 364.603 2.935 50 0 FFAARP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccco4)C3)CC2)cc[nH+]1 ZINC000095378951 132209363 /nfs/dbraw/zinc/20/93/63/132209363.db2.gz XMJWIQKLKZNVJB-GOSISDBHSA-N 2 0 368.481 2.544 50 0 FFAARP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000097515151 222187945 /nfs/dbraw/zinc/18/79/45/222187945.db2.gz UTYNLPZVUBHYNP-UHFFFAOYSA-N 2 0 361.555 2.838 50 0 FFAARP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)C[C@H]2CCO)cc1 ZINC000104626157 222359280 /nfs/dbraw/zinc/35/92/80/222359280.db2.gz YWZSSJWJVKLBGT-JOCHJYFZSA-N 2 0 359.558 2.736 50 0 FFAARP CCOc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)ccc1OC ZINC000004988229 506412267 /nfs/dbraw/zinc/41/22/67/506412267.db2.gz QXZDQLISCJWVML-UHFFFAOYSA-N 2 0 351.535 2.799 50 0 FFAARP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)CC1 ZINC000012301305 506845341 /nfs/dbraw/zinc/84/53/41/506845341.db2.gz DGOZREMHTSQXDZ-LJQANCHMSA-N 2 0 357.546 2.888 50 0 FFAARP CC(C)COc1ccccc1CN(C)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072432646 507790636 /nfs/dbraw/zinc/79/06/36/507790636.db2.gz AFYJXIPRLDMTQQ-IBGZPJMESA-N 2 0 373.541 2.754 50 0 FFAARP CC(=O)c1ccc(C[NH+]2CCC3(CN(CCC[NH+](C)C)C(=O)O3)CC2)cc1 ZINC000072433569 507790745 /nfs/dbraw/zinc/79/07/45/507790745.db2.gz NCSUCDRXCAYXRJ-UHFFFAOYSA-N 2 0 373.497 2.628 50 0 FFAARP O=C1CCC2(CC[NH2+]CC2)CN1CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000091254780 507976634 /nfs/dbraw/zinc/97/66/34/507976634.db2.gz QZTWZEDKXSTVAK-HXUWFJFHSA-N 2 0 355.526 2.858 50 0 FFAARP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000095452454 508185699 /nfs/dbraw/zinc/18/56/99/508185699.db2.gz CGTKJXXMGFZBKY-UHFFFAOYSA-N 2 0 367.578 2.753 50 0 FFAARP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000426512359 513965468 /nfs/dbraw/zinc/96/54/68/513965468.db2.gz WSIROEQJUPOQSL-GOSISDBHSA-N 2 0 358.530 2.894 50 0 FFAARP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccc(CO)c1 ZINC000089905167 525438627 /nfs/dbraw/zinc/43/86/27/525438627.db2.gz CAOHFYAWGZYXGP-SFHVURJKSA-N 2 0 353.510 2.777 50 0 FFAARP COc1cccc([C@]2(C[NH+]3CCN(c4cc[nH+]c(C)c4)CC3)CCOC2)c1 ZINC000215050408 536916732 /nfs/dbraw/zinc/91/67/32/536916732.db2.gz URRKKMHJUFSFIR-QFIPXVFZSA-N 2 0 367.493 2.879 50 0 FFAARP O=c1[nH]c2cc(Cl)ccc2cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000067756889 728184217 /nfs/dbraw/zinc/18/42/17/728184217.db2.gz LDBQBQNQHXNHFK-UHFFFAOYSA-N 2 0 354.841 2.899 50 0 FFAARP O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CCC([NH+]2CCSCC2)CC1 ZINC000020784491 845034908 /nfs/dbraw/zinc/03/49/08/845034908.db2.gz SMLWQAYYLMUQSK-HNNXBMFYSA-N 2 0 365.568 2.826 50 0 FFAARP Cc1cccc(CCNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000011821991 987455585 /nfs/dbraw/zinc/45/55/85/987455585.db2.gz BNZXHLGEQLBRJQ-IBGZPJMESA-N 2 0 372.557 2.634 50 0 FFAARP Cc1cccc(-c2ncc(C[N@H+]3CCC[C@](O)(C[NH+](C)C)CC3)cn2)c1 ZINC000072168279 1019838446 /nfs/dbraw/zinc/83/84/46/1019838446.db2.gz WDVNKSXMTNMNLO-OAQYLSRUSA-N 2 0 354.498 2.731 50 0 FFAARP CCC[NH+]1CCC([N@H+]2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)CC1 ZINC001529155660 1062190775 /nfs/dbraw/zinc/19/07/75/1062190775.db2.gz YDSHRLWYAPBBFX-XMSQKQJNSA-N 2 0 353.510 2.944 50 0 FFAARP COc1ccc2c(c1)C[C@H]([NH+]1CCC(n3cc(C(C)(C)[NH3+])nn3)CC1)CC2 ZINC000019224237 211205635 /nfs/dbraw/zinc/20/56/35/211205635.db2.gz VDZDFEQJOUBWQY-GOSISDBHSA-N 2 0 369.513 2.675 50 0 FFAARP COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000014949074 211105659 /nfs/dbraw/zinc/10/56/59/211105659.db2.gz ZAFMKCXVCCQWGF-LJQANCHMSA-N 2 0 373.541 2.896 50 0 FFAARP CC(C)CNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000014538865 211094019 /nfs/dbraw/zinc/09/40/19/211094019.db2.gz ODLAIPYSSUUJNT-NHCUHLMSSA-N 2 0 357.542 2.993 50 0 FFAARP Cc1ccc(C2(C[N@@H+]3CCNC[C@H]3c3ccccc3)CC[NH2+]CC2)nc1 ZINC000065386991 221208875 /nfs/dbraw/zinc/20/88/75/221208875.db2.gz SXGLTORREHCLIQ-FQEVSTJZSA-N 2 0 350.510 2.658 50 0 FFAARP O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000095356641 132207545 /nfs/dbraw/zinc/20/75/45/132207545.db2.gz XOKAPMFEWBRULT-LJQANCHMSA-N 2 0 350.466 2.511 50 0 FFAARP CCc1cc(N2CCC([NH2+]CCNc3cc[nH+]cc3C)CC2)nc(C)n1 ZINC000095500610 132212078 /nfs/dbraw/zinc/21/20/78/132212078.db2.gz HHFDGVKAGGJRTF-UHFFFAOYSA-N 2 0 354.502 2.721 50 0 FFAARP Cc1cc(N2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c2ccccc2[nH+]1 ZINC000072411938 136145614 /nfs/dbraw/zinc/14/56/14/136145614.db2.gz QAKZXYRYTDHNSV-LJQANCHMSA-N 2 0 368.525 2.510 50 0 FFAARP CCCn1c2ccccc2nc1-n1nc(C2CC2)nc1[C@H]([NH3+])CCC[NH3+] ZINC000097394418 222178683 /nfs/dbraw/zinc/17/86/83/222178683.db2.gz SRHYNINZBGFWAL-CQSZACIVSA-N 2 0 353.474 2.643 50 0 FFAARP CC(C)=CC[N@H+]1CCC2(CC[NH+](Cc3cnc(C)n3C)CC2)[C@@H](CO)C1 ZINC000097447054 222181956 /nfs/dbraw/zinc/18/19/56/222181956.db2.gz WJEGYTOXZOWSKB-LJQANCHMSA-N 2 0 360.546 2.591 50 0 FFAARP CC[NH+](CC)CCOC(=O)c1ccc(OC)cc1OCC[NH+](CC)CC ZINC000004872253 506401816 /nfs/dbraw/zinc/40/18/16/506401816.db2.gz WTRWHRMXUBOCHO-UHFFFAOYSA-N 2 0 366.502 2.914 50 0 FFAARP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000039461344 506449714 /nfs/dbraw/zinc/44/97/14/506449714.db2.gz IEJOVDQREDMSDG-JOCHJYFZSA-N 2 0 359.558 2.736 50 0 FFAARP CC(C)c1ccc(OCCN(C)C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)cc1 ZINC000072478913 507797152 /nfs/dbraw/zinc/79/71/52/507797152.db2.gz QJUASXFGBAJNRU-HXUWFJFHSA-N 2 0 373.541 2.721 50 0 FFAARP [NH3+]CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1 ZINC000091619874 507996618 /nfs/dbraw/zinc/99/66/18/507996618.db2.gz VLWAQEFDMSBBHJ-IFMALSPDSA-N 2 0 363.505 2.924 50 0 FFAARP COc1ccc(/C=C/C[N@@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)cc1 ZINC000091676819 508001704 /nfs/dbraw/zinc/00/17/04/508001704.db2.gz GCVROJHHDYZZPO-TWKPZUECSA-N 2 0 374.525 2.504 50 0 FFAARP O=C([C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CCC1 ZINC000091713405 508005201 /nfs/dbraw/zinc/00/52/01/508005201.db2.gz YRCPGVWUOVDIIQ-FQEVSTJZSA-N 2 0 367.537 2.563 50 0 FFAARP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(-c3ccccc3F)o1)CC2 ZINC000091871391 508021036 /nfs/dbraw/zinc/02/10/36/508021036.db2.gz YXTOUJFZGHPBDV-UXHICEINSA-N 2 0 374.456 2.776 50 0 FFAARP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000076017682 508151833 /nfs/dbraw/zinc/15/18/33/508151833.db2.gz JXHHNFGWTDIXLS-CEXWTWQISA-N 2 0 365.562 2.504 50 0 FFAARP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000237408082 509640027 /nfs/dbraw/zinc/64/00/27/509640027.db2.gz HBEANVDYCULMOO-IZBJGVDFSA-N 2 0 359.514 2.567 50 0 FFAARP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)C(=O)c1ccc(C[NH3+])o1 ZINC000237683024 509710813 /nfs/dbraw/zinc/71/08/13/509710813.db2.gz LBLDGTHIRVYPIW-HOTGVXAUSA-N 2 0 355.482 2.967 50 0 FFAARP CN(CC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCN(c3ccccc3F)CC2)C1 ZINC000023478384 535855041 /nfs/dbraw/zinc/85/50/41/535855041.db2.gz WIYOCAKOTMEWPQ-IBGZPJMESA-N 2 0 362.537 2.752 50 0 FFAARP C[N@@H+]1C[C@H](CO)C2(C1)CC[NH+](Cc1cccc(Br)c1)CC2 ZINC000169782036 728982906 /nfs/dbraw/zinc/98/29/06/728982906.db2.gz CSADZFVDWPROJR-OAHLLOKOSA-N 2 0 353.304 2.585 50 0 FFAARP OC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH+](Cc1ccccn1)CC2 ZINC000169750486 984951583 /nfs/dbraw/zinc/95/15/83/984951583.db2.gz YHJLXDSJFBHGPS-FQEVSTJZSA-N 2 0 351.494 2.788 50 0 FFAARP CCOc1cc(C[NH2+]CC2(COC)CCC2)ccc1OCC[NH+](C)C ZINC001506413680 1059504587 /nfs/dbraw/zinc/50/45/87/1059504587.db2.gz LESQMBRPQCUHLQ-UHFFFAOYSA-N 2 0 350.503 2.932 50 0 FFAARP CC(C)NC(=O)C1CC[NH+](C2CC[NH+](C3CCSCC3)CC2)CC1 ZINC000012718237 220021027 /nfs/dbraw/zinc/02/10/27/220021027.db2.gz URNNIYDPJVLJNS-UHFFFAOYSA-N 2 0 353.576 2.583 50 0 FFAARP COc1ccc2c(c1)C[C@@H]([NH+]1CCC(n3cc(C(C)(C)[NH3+])nn3)CC1)CC2 ZINC000019224240 211207736 /nfs/dbraw/zinc/20/77/36/211207736.db2.gz VDZDFEQJOUBWQY-SFHVURJKSA-N 2 0 369.513 2.675 50 0 FFAARP Cc1ccc(C2(C[N@H+](C)C[C@H]3COc4ccccc4O3)CC[NH2+]CC2)nc1 ZINC000065385665 221209211 /nfs/dbraw/zinc/20/92/11/221209211.db2.gz LLHVIEHUGUMYME-SFHVURJKSA-N 2 0 367.493 2.783 50 0 FFAARP Cc1cc(N2CCC([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)nc(-c2ccccc2)n1 ZINC000096163838 132221502 /nfs/dbraw/zinc/22/15/02/132221502.db2.gz ALGULCHQIQWJPY-KDURUIRLSA-N 2 0 363.509 2.572 50 0 FFAARP COc1cc(SC)c(OC)cc1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)CC1 ZINC000072134740 507755291 /nfs/dbraw/zinc/75/52/91/507755291.db2.gz ZGGHFTFTXBKKGX-LJQANCHMSA-N 2 0 368.543 2.704 50 0 FFAARP CC1(C)C[N@H+](Cc2ccccc2Cl)CC[C@@]1(O)C[NH+]1CCOCC1 ZINC000091526677 507991605 /nfs/dbraw/zinc/99/16/05/507991605.db2.gz STSIFPNIAWRMBB-LJQANCHMSA-N 2 0 352.906 2.635 50 0 FFAARP CSc1cccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1 ZINC000091974202 508028853 /nfs/dbraw/zinc/02/88/53/508028853.db2.gz KULGIWLCRAOMBS-FQEVSTJZSA-N 2 0 364.555 2.704 50 0 FFAARP COc1ccc(C[NH+]2CCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000095524796 508195656 /nfs/dbraw/zinc/19/56/56/508195656.db2.gz FVXZGNLQPJLARK-FQEVSTJZSA-N 2 0 370.493 2.773 50 0 FFAARP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)cc2)CC1 ZINC000095939771 508198744 /nfs/dbraw/zinc/19/87/44/508198744.db2.gz GFPNKGOUCMXRIX-OAQYLSRUSA-N 2 0 370.541 2.637 50 0 FFAARP C[NH+]1CCC(N(Cc2ccncc2)C(=O)C[NH+]2CCCCCCC2)CC1 ZINC000077406857 508312080 /nfs/dbraw/zinc/31/20/80/508312080.db2.gz KXBRVRDORZGPLW-UHFFFAOYSA-N 2 0 358.530 2.771 50 0 FFAARP Cc1c[nH+]ccc1N1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000584893722 518525985 /nfs/dbraw/zinc/52/59/85/518525985.db2.gz AJBYXWDPOZZJAK-GOSISDBHSA-N 2 0 373.545 2.734 50 0 FFAARP Cc1ncc(C[N@@H+]2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)n1C ZINC000020601769 527257111 /nfs/dbraw/zinc/25/71/11/527257111.db2.gz YYSVUOUITRGSKN-HXUWFJFHSA-N 2 0 353.514 2.858 50 0 FFAARP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1nc(-c3ccccc3)cs1)CC2 ZINC000091745571 571195005 /nfs/dbraw/zinc/19/50/05/571195005.db2.gz GFFMATBDCAPTPA-MSOLQXFVSA-N 2 0 373.522 2.501 50 0 FFAARP [NH3+]Cc1cn(C2CC[NH+](Cc3ccc(OC4CCCC4)cc3)CC2)nn1 ZINC000023398739 969294112 /nfs/dbraw/zinc/29/41/12/969294112.db2.gz CSYJHZMAQDCOOX-UHFFFAOYSA-N 2 0 355.486 2.895 50 0 FFAARP CC(C)C[N@@H+]1CCCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC001529192145 1062214415 /nfs/dbraw/zinc/21/44/15/1062214415.db2.gz OSADRDDAJRLYBS-QFIPXVFZSA-N 2 0 359.558 2.941 50 0 FFAARP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](CC3CCC3)CC2)C1 ZINC000071415671 221346410 /nfs/dbraw/zinc/34/64/10/221346410.db2.gz YCIJREJKGKECIR-FQEVSTJZSA-N 2 0 370.541 2.674 50 0 FFAARP Cc1cc(N2CCC([NH2+]Cc3nccs3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095510427 132213339 /nfs/dbraw/zinc/21/33/39/132213339.db2.gz CBGVGQUJCULMTM-UHFFFAOYSA-N 2 0 358.515 2.600 50 0 FFAARP CNC(=O)CC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095365806 221866981 /nfs/dbraw/zinc/86/69/81/221866981.db2.gz GICHOXMTPHUVQU-IBGZPJMESA-N 2 0 355.526 2.857 50 0 FFAARP Cc1c[nH+]ccc1NCCNC(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072156698 507763322 /nfs/dbraw/zinc/76/33/22/507763322.db2.gz XFIURFWOCVQQAL-UHFFFAOYSA-N 2 0 352.482 2.774 50 0 FFAARP CN(Cc1ccccc1C[NH+](C)C)c1nc(-c2cccnc2)nc2c1C[NH2+]C2 ZINC000072162993 507765862 /nfs/dbraw/zinc/76/58/62/507765862.db2.gz QBVPYFMORQTETB-UHFFFAOYSA-N 2 0 374.492 2.840 50 0 FFAARP c1coc(C[NH+]2CCC(n3ccnc3-c3cc4n(n3)CCC[NH2+]C4)CC2)c1 ZINC000072463056 507794154 /nfs/dbraw/zinc/79/41/54/507794154.db2.gz SQVQNDQNSQFMOD-UHFFFAOYSA-N 2 0 366.469 2.670 50 0 FFAARP COc1ccccc1C[NH+]1CCC2(CCC(=O)N([C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000092065058 508039165 /nfs/dbraw/zinc/03/91/65/508039165.db2.gz ATPPFBHKLTWSMP-IBGZPJMESA-N 2 0 371.525 2.604 50 0 FFAARP OCCOCC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095375223 508179704 /nfs/dbraw/zinc/17/97/04/508179704.db2.gz JOYQQZZIGIKBJB-HXUWFJFHSA-N 2 0 358.526 2.729 50 0 FFAARP CC[NH+]1CCC(CC(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)CC1 ZINC000095519011 508194162 /nfs/dbraw/zinc/19/41/62/508194162.db2.gz BXWYDLBSCWTLLW-HXUWFJFHSA-N 2 0 358.530 2.847 50 0 FFAARP C[C@@H]1C[NH+](CCCC[NH2+]Cc2c(Cl)nc3ccccn32)C[C@@H](C)O1 ZINC000237402960 509640917 /nfs/dbraw/zinc/64/09/17/509640917.db2.gz NAYRYFUOPYNRMS-HUUCEWRRSA-N 2 0 350.894 2.967 50 0 FFAARP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@H]3CNc4ccnn4C3)cc2)C1 ZINC000241644536 509842861 /nfs/dbraw/zinc/84/28/61/509842861.db2.gz PROIIPUFBOWJSV-PXNSSMCTSA-N 2 0 353.514 2.947 50 0 FFAARP CC1(C)CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@H]1C(F)(F)F ZINC000252503673 509845638 /nfs/dbraw/zinc/84/56/38/509845638.db2.gz VFMNFXOMACHJRD-OAHLLOKOSA-N 2 0 361.452 2.640 50 0 FFAARP CC(C)C[N@H+]1CCc2nnc([C@H]3CC[NH+](Cc4ccccc4)C3)n2CC1 ZINC000257177092 509945873 /nfs/dbraw/zinc/94/58/73/509945873.db2.gz AVXWTPORPDSSQC-IBGZPJMESA-N 2 0 353.514 2.782 50 0 FFAARP CN1CCC([N@@H+]2C[C@@H](COc3cccnc3)[C@H](c3ccccn3)C2)CC1 ZINC000257194286 509953639 /nfs/dbraw/zinc/95/36/39/509953639.db2.gz SZGLNFADFDNSQR-FXAWDEMLSA-N 2 0 352.482 2.665 50 0 FFAARP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246184183 510346436 /nfs/dbraw/zinc/34/64/36/510346436.db2.gz VBYUEWHEBQZZGO-WBVHZDCISA-N 2 0 356.445 2.659 50 0 FFAARP Cc1cc(N2CCCN(C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)cc[nH+]1 ZINC000426489951 513956948 /nfs/dbraw/zinc/95/69/48/513956948.db2.gz CGGLTJXLXQHDEL-IBGZPJMESA-N 2 0 373.545 2.590 50 0 FFAARP CN1CCN(C(=O)c2cc(F)ccc2OCCC[NH3+])C[C@@H]1c1ccccc1 ZINC000426602336 513992980 /nfs/dbraw/zinc/99/29/80/513992980.db2.gz DGLSYWHEUGILQX-LJQANCHMSA-N 2 0 371.456 2.682 50 0 FFAARP [NH3+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cccc(-c4ccco4)c3)CC[C@H]21 ZINC000072479670 1019903780 /nfs/dbraw/zinc/90/37/80/1019903780.db2.gz FVAOCUWKIAJPMZ-RBUKOAKNSA-N 2 0 353.466 2.718 50 0 FFAARP CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCC(=O)N(CC[NH+]3CCCCC3)CC1)=CC2 ZINC000014962308 1021729492 /nfs/dbraw/zinc/72/94/92/1021729492.db2.gz KTECOVRYZDZTKL-PMACEKPBSA-N 2 0 359.558 2.999 50 0 FFAARP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020205795 211272605 /nfs/dbraw/zinc/27/26/05/211272605.db2.gz TZNNVBMOFGAZCN-IBGZPJMESA-N 2 0 367.537 2.609 50 0 FFAARP Cc1cc(N2CCC([NH2+]CCc3ccncc3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095353973 132206934 /nfs/dbraw/zinc/20/69/34/132206934.db2.gz UPMOSIARFJCPLO-UHFFFAOYSA-N 2 0 366.513 2.581 50 0 FFAARP Cc1cc(N2CCC([NH2+]CCC[C@@H]3CCOC3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095499854 132211929 /nfs/dbraw/zinc/21/19/29/132211929.db2.gz OCHUNMKBVNOJHK-GOSISDBHSA-N 2 0 373.545 2.760 50 0 FFAARP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000073024739 136149894 /nfs/dbraw/zinc/14/98/94/136149894.db2.gz CLGSQKXTVHAZIS-UHFFFAOYSA-N 2 0 350.466 2.640 50 0 FFAARP COc1ccc(C[C@H]([NH3+])c2nc(C3CC3)nn2C2CC[NH+](C)CC2)cc1 ZINC000096148649 222050665 /nfs/dbraw/zinc/05/06/65/222050665.db2.gz AQDXXOKSSAXAAB-SFHVURJKSA-N 2 0 355.486 2.673 50 0 FFAARP CCc1cc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@H]3CO)[nH]n1 ZINC000097653972 222202928 /nfs/dbraw/zinc/20/29/28/222202928.db2.gz TWDZIAZBEVQULC-SFHVURJKSA-N 2 0 372.513 2.662 50 0 FFAARP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H](C)O1 ZINC000072242426 507771461 /nfs/dbraw/zinc/77/14/61/507771461.db2.gz ZYNXTQSJKUJTIN-IAGOWNOFSA-N 2 0 360.477 2.990 50 0 FFAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCCc1cccc3ccccc31)CC[NH2+]CC2 ZINC000072412138 507786247 /nfs/dbraw/zinc/78/62/47/507786247.db2.gz ZYWDCWJYZOILCU-FQEVSTJZSA-N 2 0 351.494 2.572 50 0 FFAARP C[C@@H](C1CC[NH+](Cc2ccccc2Cn2cccn2)CC1)[NH+]1CCOCC1 ZINC000072478900 507796798 /nfs/dbraw/zinc/79/67/98/507796798.db2.gz AEURASMOHLUJOK-IBGZPJMESA-N 2 0 368.525 2.864 50 0 FFAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2CO)CC1 ZINC000095369820 508178199 /nfs/dbraw/zinc/17/81/99/508178199.db2.gz JXOZRCSDYRFZIK-NHCUHLMSSA-N 2 0 373.585 2.662 50 0 FFAARP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000095391328 508183491 /nfs/dbraw/zinc/18/34/91/508183491.db2.gz XXBJHEFRHNZMTQ-UHFFFAOYSA-N 2 0 371.525 2.609 50 0 FFAARP COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095508355 508192227 /nfs/dbraw/zinc/19/22/27/508192227.db2.gz FUCJXMAJNHGUJS-SFHVURJKSA-N 2 0 362.514 2.905 50 0 FFAARP COc1ccc(C[NH+]2CCC2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000095517955 508194014 /nfs/dbraw/zinc/19/40/14/508194014.db2.gz WVXXAXXFUBQNQM-IBGZPJMESA-N 2 0 362.514 2.907 50 0 FFAARP COc1cc(C[N@H+]2CC=C(C)CC2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095528209 508196356 /nfs/dbraw/zinc/19/63/56/508196356.db2.gz SSWAYYYHEQODHH-IBGZPJMESA-N 2 0 362.514 2.927 50 0 FFAARP C[NH+](C)C[C@@H]1COCCN(Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000215124157 509245703 /nfs/dbraw/zinc/24/57/03/509245703.db2.gz IFLGXFMOSCGLFZ-SFHVURJKSA-N 2 0 351.560 2.744 50 0 FFAARP Cn1cccc1C[NH+]1CCC2(C[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000169750475 994427907 /nfs/dbraw/zinc/42/79/07/994427907.db2.gz DNFQKZQPCGYHKS-FQEVSTJZSA-N 2 0 353.510 2.732 50 0 FFAARP CCc1cc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@@H]3CO)[nH]n1 ZINC000097653971 222203607 /nfs/dbraw/zinc/20/36/07/222203607.db2.gz TWDZIAZBEVQULC-GOSISDBHSA-N 2 0 372.513 2.662 50 0 FFAARP C[NH+](C)[C@H](CNc1nc(C2CC2)nc2c1CC[NH2+]CC2)c1cccs1 ZINC000072428072 507789154 /nfs/dbraw/zinc/78/91/54/507789154.db2.gz NHGYVLVHYHKKCN-MRXNPFEDSA-N 2 0 357.527 2.819 50 0 FFAARP CCCN(Cc1ccc(OCC)cc1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072469652 507794533 /nfs/dbraw/zinc/79/45/33/507794533.db2.gz AFQHLIFODUEQCR-FQEVSTJZSA-N 2 0 373.541 2.898 50 0 FFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NC1(c3ccccc3)CC1)CC[NH+](C)CC2 ZINC000072480425 507797919 /nfs/dbraw/zinc/79/79/19/507797919.db2.gz CYGDPRSOAMAUJK-IBGZPJMESA-N 2 0 355.526 2.988 50 0 FFAARP COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)[C@@H](C)[NH3+])CC1 ZINC000095519006 508193991 /nfs/dbraw/zinc/19/39/91/508193991.db2.gz GCDFJWZPSUHRIE-QGZVFWFLSA-N 2 0 361.530 2.739 50 0 FFAARP COc1cc(C[NH+]2CCC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000095524954 508195313 /nfs/dbraw/zinc/19/53/13/508195313.db2.gz HRHQFUJODADPBH-IBGZPJMESA-N 2 0 362.514 2.907 50 0 FFAARP CCOc1ccc(C[N@@H+]2CCCN(C)C3(CC[NH2+]CC3)C2)cc1Cl ZINC000097756485 508229824 /nfs/dbraw/zinc/22/98/24/508229824.db2.gz ZPZBWSWDJPRUCH-UHFFFAOYSA-N 2 0 351.922 2.998 50 0 FFAARP OC1(Cn2ccnc2)CCN(Cc2ccccc2OC(F)(F)F)CC1 ZINC000216182512 509257423 /nfs/dbraw/zinc/25/74/23/509257423.db2.gz NXFWKFBJXGPKTB-UHFFFAOYSA-N 2 0 355.360 2.809 50 0 FFAARP C[C@@H](c1cccc(C[NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)c1)[NH+](C)C ZINC000219540490 509289634 /nfs/dbraw/zinc/28/96/34/509289634.db2.gz SDBAGASPZAEPFY-IBGZPJMESA-N 3 0 359.558 2.980 50 0 FFAARP CNc1nc(N2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cc(C)[nH+]1 ZINC000426571602 513983299 /nfs/dbraw/zinc/98/32/99/513983299.db2.gz NLQRALYZCHTLIU-JOCHJYFZSA-N 2 0 365.525 3.362 50 0 FFAARP O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCC([NH+]2CCSCC2)CC1 ZINC000020784494 845035402 /nfs/dbraw/zinc/03/54/02/845035402.db2.gz SMLWQAYYLMUQSK-OAHLLOKOSA-N 2 0 365.568 2.826 50 0 FFAARP Cc1c[nH+]ccc1NCC[NH2+][C@H](C)CCc1c(C)[nH]c2ccccc2c1=O ZINC000821175204 998659480 /nfs/dbraw/zinc/65/94/80/998659480.db2.gz KXCBQOWRYOXAMK-MRXNPFEDSA-N 2 0 364.493 2.985 50 0 FFAARP O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](CC3CCC3)CC2)CC1 ZINC000071762867 221369579 /nfs/dbraw/zinc/36/95/79/221369579.db2.gz NXYVQONFDGOGPH-UHFFFAOYSA-N 2 0 370.541 2.674 50 0 FFAARP Cc1cc(N2CCC([N@@H+]3CCC[C@@H](O)CC3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000095529527 132214902 /nfs/dbraw/zinc/21/49/02/132214902.db2.gz HLBUBSDILSOURM-LJQANCHMSA-N 2 0 373.545 2.591 50 0 FFAARP OC[C@@H]1C[N@H+](Cc2cnc[nH]2)CCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000097553318 222190732 /nfs/dbraw/zinc/19/07/32/222190732.db2.gz FOAYRJTVPQFUGG-SFHVURJKSA-N 2 0 372.488 2.645 50 0 FFAARP CSCCC[N@@H+]1CCC2(CC[NH+](Cc3cccnc3)CC2)[C@H](CO)C1 ZINC000097522131 222188133 /nfs/dbraw/zinc/18/81/33/222188133.db2.gz KEKJKXZQKHFLGU-IBGZPJMESA-N 2 0 363.571 2.731 50 0 FFAARP CCn1cc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@@H]3CO)cn1 ZINC000097713536 222207203 /nfs/dbraw/zinc/20/72/03/222207203.db2.gz VVGVLEUYLQRFPK-HXUWFJFHSA-N 2 0 372.513 2.593 50 0 FFAARP COc1cccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000004699692 506388747 /nfs/dbraw/zinc/38/87/47/506388747.db2.gz IGLQILSRDLZROQ-UHFFFAOYSA-N 2 0 361.530 2.611 50 0 FFAARP CCc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000039372044 506448652 /nfs/dbraw/zinc/44/86/52/506448652.db2.gz MSOSKTIEKGGDTN-HSZRJFAPSA-N 2 0 373.585 2.990 50 0 FFAARP COc1cc(SC)c(OC)cc1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)CC1 ZINC000072134739 507754733 /nfs/dbraw/zinc/75/47/33/507754733.db2.gz ZGGHFTFTXBKKGX-IBGZPJMESA-N 2 0 368.543 2.704 50 0 FFAARP O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072146465 507757695 /nfs/dbraw/zinc/75/76/95/507757695.db2.gz NBNVCHWLBXOANW-FQEVSTJZSA-N 2 0 365.477 2.827 50 0 FFAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NCc1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000072430535 507789783 /nfs/dbraw/zinc/78/97/83/507789783.db2.gz IDSAJYGFKKFRGU-OAHLLOKOSA-N 2 0 356.297 2.684 50 0 FFAARP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]2CO)CC1 ZINC000091650598 507999863 /nfs/dbraw/zinc/99/98/63/507999863.db2.gz RNUQCKSBYSIVON-NHCUHLMSSA-N 2 0 373.585 2.662 50 0 FFAARP CCN1CC2(CC[NH+](C3CC[NH2+]CC3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091713776 508005144 /nfs/dbraw/zinc/00/51/44/508005144.db2.gz AKCXYBXXIMWXKJ-FQEVSTJZSA-N 2 0 355.526 2.857 50 0 FFAARP COc1cc(C[NH+]2CCCC2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095496617 508189299 /nfs/dbraw/zinc/18/92/99/508189299.db2.gz JTCAAZSVWTWZHZ-LJQANCHMSA-N 2 0 362.514 2.907 50 0 FFAARP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCc1ccc(O)c(Cl)c1 ZINC000096004332 508202612 /nfs/dbraw/zinc/20/26/12/508202612.db2.gz SLCPIDCJAWODQU-UHFFFAOYSA-N 2 0 369.937 2.710 50 0 FFAARP C[NH+](C)CCC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077339477 508302332 /nfs/dbraw/zinc/30/23/32/508302332.db2.gz CPFPWEMKOLZWKD-QFIPXVFZSA-N 2 0 357.542 2.885 50 0 FFAARP C[NH+](C)C[C@H]1COCCN(Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000215124118 509245238 /nfs/dbraw/zinc/24/52/38/509245238.db2.gz IFLGXFMOSCGLFZ-GOSISDBHSA-N 2 0 351.560 2.744 50 0 FFAARP CN1C[C@]2(CC[N@H+](Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)OC1=O ZINC000215777726 509250916 /nfs/dbraw/zinc/25/09/16/509250916.db2.gz VTMQLQRHBMHJCP-NRFANRHFSA-N 2 0 373.497 2.578 50 0 FFAARP CN1CC[NH+](CC2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)CC1 ZINC000216093352 509255900 /nfs/dbraw/zinc/25/59/00/509255900.db2.gz LNBBOISMYSNXLW-UHFFFAOYSA-N 2 0 365.525 2.603 50 0 FFAARP Cc1cc(CN2CC[NH+](CCO)CC2)c(C)c(C[N@H+]2CCCC[C@H]2C)c1 ZINC000230484505 509438323 /nfs/dbraw/zinc/43/83/23/509438323.db2.gz VASSKACGIKSVRO-LJQANCHMSA-N 2 0 359.558 2.788 50 0 FFAARP Cn1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(-c2ccccc2)n1 ZINC000179685135 509573437 /nfs/dbraw/zinc/57/34/37/509573437.db2.gz NHUPYJPYJOVNEI-UHFFFAOYSA-N 2 0 354.498 2.631 50 0 FFAARP CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(OCCC[NH+]2CCCCC2)c1 ZINC000244787945 509868943 /nfs/dbraw/zinc/86/89/43/509868943.db2.gz QGURVPQIZAOCPJ-HXUWFJFHSA-N 2 0 359.514 2.652 50 0 FFAARP OCCn1ccc([C@H]2CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)n1 ZINC000426504400 513962779 /nfs/dbraw/zinc/96/27/79/513962779.db2.gz BELHUBMXPJEKIP-SFHVURJKSA-N 2 0 374.554 2.912 50 0 FFAARP COc1c(N)cc[nH+]c1-c1cccc(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000584894572 518528268 /nfs/dbraw/zinc/52/82/68/518528268.db2.gz JBOZGXHNBJWMEG-UHFFFAOYSA-N 2 0 354.454 2.555 50 0 FFAARP CCCCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000241644620 520875433 /nfs/dbraw/zinc/87/54/33/520875433.db2.gz PSFQIOVHGFIIGB-TZIWHRDSSA-N 2 0 373.541 2.946 50 0 FFAARP COC[C@@H]1C[N@H+](Cc2ccc(Br)s2)CC12CC[NH2+]CC2 ZINC000169783973 728982780 /nfs/dbraw/zinc/98/27/80/728982780.db2.gz HLJNXIWMIPYVFZ-LBPRGKRZSA-N 2 0 359.333 2.959 50 0 FFAARP CC(C)([NH3+])c1cn(C2CC[NH+](Cc3cccn3-c3nccs3)CC2)nn1 ZINC000023380398 969281853 /nfs/dbraw/zinc/28/18/53/969281853.db2.gz HGGRGVSLAVCPFK-UHFFFAOYSA-N 2 0 371.514 2.556 50 0 FFAARP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CC[C@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000299738833 223077969 /nfs/dbraw/zinc/07/79/69/223077969.db2.gz HBEANVDYCULMOO-JYBIWHBTSA-N 2 0 359.514 2.567 50 0 FFAARP Cc1c(C[N@@H+]2CCCC3(CC[NH2+]CC3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000067894276 221301735 /nfs/dbraw/zinc/30/17/35/221301735.db2.gz YARSHKYVCTZJDT-UHFFFAOYSA-N 2 0 368.525 2.840 50 0 FFAARP C[NH+]1CCC(C2CC[NH+](Cc3cnc(NC[C@H]4CCCO4)nc3)CC2)CC1 ZINC000072159104 221436606 /nfs/dbraw/zinc/43/66/06/221436606.db2.gz QEEXSYBVIYMQGY-HXUWFJFHSA-N 2 0 373.545 2.621 50 0 FFAARP CSCC[NH+]1CCC(NC(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000095369946 221872446 /nfs/dbraw/zinc/87/24/46/221872446.db2.gz PZFYMDBAKYJORG-GOSISDBHSA-N 2 0 361.555 2.711 50 0 FFAARP COc1ccc(C[NH+]2CCC(CCC(=O)NCC[NH+](C)C)CC2)c(F)c1 ZINC000011948864 506806346 /nfs/dbraw/zinc/80/63/46/506806346.db2.gz FLHLLXZPGRECMJ-UHFFFAOYSA-N 2 0 365.493 2.504 50 0 FFAARP C[NH+]1CCC(C2CC[NH+](Cc3cnc(NC[C@@H]4CCCO4)nc3)CC2)CC1 ZINC000072159103 507764045 /nfs/dbraw/zinc/76/40/45/507764045.db2.gz QEEXSYBVIYMQGY-FQEVSTJZSA-N 2 0 373.545 2.621 50 0 FFAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NCc1cnc(-c3ccccc3)s1)CC[NH2+]CC2 ZINC000072410898 507785594 /nfs/dbraw/zinc/78/55/94/507785594.db2.gz PFHFUSMCZWYIAQ-QGZVFWFLSA-N 2 0 370.522 2.500 50 0 FFAARP Cc1ccccc1[C@@H](Cn1ccnc1-c1cc2n(n1)CCC[NH2+]C2)[NH+](C)C ZINC000072422068 507787735 /nfs/dbraw/zinc/78/77/35/507787735.db2.gz UKGMXAOFYOKNOX-HXUWFJFHSA-N 2 0 364.497 2.851 50 0 FFAARP CCc1ccc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)nc1 ZINC000091505778 507990914 /nfs/dbraw/zinc/99/09/14/507990914.db2.gz NXPNYADTCULBFV-FQEVSTJZSA-N 2 0 370.541 2.553 50 0 FFAARP COc1ccc2c(c1)OC[C@]1(CO)C[N@H+](C3CC(C)(C)[NH2+]C(C)(C)C3)C[C@H]21 ZINC000095382024 508181467 /nfs/dbraw/zinc/18/14/67/508181467.db2.gz FXHTVZSSIMXOGI-XMSQKQJNSA-N 2 0 374.525 2.775 50 0 FFAARP C[NH+]1CCC(C[NH+]2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)CC1 ZINC000215849995 509253355 /nfs/dbraw/zinc/25/33/55/509253355.db2.gz RUJBESQSCLVZMK-UHFFFAOYSA-N 2 0 365.525 2.603 50 0 FFAARP CCc1ccc(CN2CCc3c(C(=O)NCC[NH+](C)C)csc3C2)nc1 ZINC000426602522 513993744 /nfs/dbraw/zinc/99/37/44/513993744.db2.gz OLHYIBLPHUYFBE-UHFFFAOYSA-N 2 0 372.538 2.555 50 0 FFAARP CC(C)CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000020541509 519653572 /nfs/dbraw/zinc/65/35/72/519653572.db2.gz HUKUYDGPRHULLL-UHFFFAOYSA-N 2 0 372.557 2.920 50 0 FFAARP COCC[N@H+](C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1)C1CCOCC1 ZINC000020542445 523731432 /nfs/dbraw/zinc/73/14/32/523731432.db2.gz WUHGZBFLZGLEEF-LJQANCHMSA-N 2 0 372.553 2.993 50 0 FFAARP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cccc(CO)c1 ZINC000089905168 525520208 /nfs/dbraw/zinc/52/02/08/525520208.db2.gz CAOHFYAWGZYXGP-GOSISDBHSA-N 2 0 353.510 2.777 50 0 FFAARP CSc1ccc(C[N@H+]2CCC(=O)N(CC[NH+]3CCCCC3)CC2)cc1 ZINC000055167929 845323153 /nfs/dbraw/zinc/32/31/53/845323153.db2.gz NYASVGDRJSJHDR-UHFFFAOYSA-N 2 0 361.555 2.929 50 0 FFAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccc(O)cc3)C2)CC1 ZINC000012473546 988293146 /nfs/dbraw/zinc/29/31/46/988293146.db2.gz UWKCEHJBKLQWKC-IBGZPJMESA-N 2 0 373.541 2.636 50 0 FFAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccnc2)CC1 ZINC000012305640 988523438 /nfs/dbraw/zinc/52/34/38/988523438.db2.gz MAIYGYKMLQNKSG-FQEVSTJZSA-N 2 0 358.530 2.674 50 0 FFAARP COc1ccc(C[C@H]([NH3+])C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000824673656 999245611 /nfs/dbraw/zinc/24/56/11/999245611.db2.gz RVDDQYRKSGHECE-FQEVSTJZSA-N 2 0 353.466 2.800 50 0 FFAARP COc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)CC2)cc1Cn1cncn1 ZINC000067458888 1019148602 /nfs/dbraw/zinc/14/86/02/1019148602.db2.gz RLHVWDGLYYSRKG-UHFFFAOYSA-N 2 0 369.513 2.691 50 0 FFAARP Cc1ncc2c(c1-c1noc(-c3ccc(C[NH+]4CCCC4)o3)n1)CC[NH2+]C2 ZINC000019113131 1022495459 /nfs/dbraw/zinc/49/54/59/1022495459.db2.gz VROHFMUVHMAFDJ-UHFFFAOYSA-N 2 0 365.437 2.942 50 0 FFAARP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)C[C@@H]2CCO)cc1 ZINC000019742584 220291127 /nfs/dbraw/zinc/29/11/27/220291127.db2.gz YWZSSJWJVKLBGT-QFIPXVFZSA-N 2 0 359.558 2.736 50 0 FFAARP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000058363404 221115445 /nfs/dbraw/zinc/11/54/45/221115445.db2.gz KQJSGFNRDVFATJ-UHFFFAOYSA-N 2 0 367.497 2.939 50 0 FFAARP CCCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000067642277 221264821 /nfs/dbraw/zinc/26/48/21/221264821.db2.gz NZTRVUVZSFJPBA-GOSISDBHSA-N 2 0 358.530 2.674 50 0 FFAARP COC(=O)N1CCC2(CCC([NH+]3CCN(c4cc[nH+]cc4)CC3)CC2)CC1 ZINC000067712885 221273927 /nfs/dbraw/zinc/27/39/27/221273927.db2.gz YIBBCMCDULOLDV-UHFFFAOYSA-N 2 0 372.513 2.995 50 0 FFAARP Cc1cc(N2CCC([N@@H+]3CCC[C@H](O)CC3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000095529526 132214972 /nfs/dbraw/zinc/21/49/72/132214972.db2.gz HLBUBSDILSOURM-IBGZPJMESA-N 2 0 373.545 2.591 50 0 FFAARP Cc1sc2nc(CC[NH3+])nc(N3CCC([NH+]4CCCC4)CC3)c2c1C ZINC000065468864 136136459 /nfs/dbraw/zinc/13/64/59/136136459.db2.gz RDVUTTGFNQIGLN-UHFFFAOYSA-N 2 0 359.543 2.874 50 0 FFAARP O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000097775782 222213566 /nfs/dbraw/zinc/21/35/66/222213566.db2.gz JFZZPOQFVZJYSR-AZUAARDMSA-N 2 0 356.514 2.775 50 0 FFAARP CC(C)CC[N@@H+]1CCN(C2CC[NH+](Cc3ccco3)CC2)C[C@H]1CCO ZINC000104538535 222359466 /nfs/dbraw/zinc/35/94/66/222359466.db2.gz DAWBALZFMIMGAU-HXUWFJFHSA-N 2 0 363.546 2.659 50 0 FFAARP Cc1nc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000012386968 506857237 /nfs/dbraw/zinc/85/72/37/506857237.db2.gz ISGDLTCXNXQSPG-MRXNPFEDSA-N 2 0 364.559 2.653 50 0 FFAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCOc3ccccc3)C2)CC1 ZINC000014957893 507006629 /nfs/dbraw/zinc/00/66/29/507006629.db2.gz KJHXBBSDCFPZFQ-IBGZPJMESA-N 2 0 373.541 2.766 50 0 FFAARP [NH3+][C@@H]1c2ccccc2C2(CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)[C@H]1O ZINC000072128467 507753187 /nfs/dbraw/zinc/75/31/87/507753187.db2.gz FIMWSLPFQFALNV-IRLDBZIGSA-N 2 0 374.488 2.985 50 0 FFAARP CC(C)(O)CCc1ccc(C[NH+]2CCN([C@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC000072417885 507786036 /nfs/dbraw/zinc/78/60/36/507786036.db2.gz LLNLUQAYFXVRPW-QFIPXVFZSA-N 2 0 371.569 2.602 50 0 FFAARP c1cn([C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072419877 507787078 /nfs/dbraw/zinc/78/70/78/507787078.db2.gz STDXSNZVNFIBHA-SFHVURJKSA-N 2 0 362.481 2.687 50 0 FFAARP C[NH+](C)CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095378475 508180579 /nfs/dbraw/zinc/18/05/79/508180579.db2.gz YCPYICUTXOCZSF-LJQANCHMSA-N 2 0 355.526 2.809 50 0 FFAARP O[C@H](COc1ccccc1C[NH+]1CCC(F)CC1)C[NH+]1CCCCC1 ZINC000095523419 508194996 /nfs/dbraw/zinc/19/49/96/508194996.db2.gz DGBMAVOQJQEPQI-IBGZPJMESA-N 2 0 350.478 2.846 50 0 FFAARP C[C@H](C1CC[NH+](Cc2cnc(-c3ccco3)nc2)CC1)[NH+]1CCN(C)CC1 ZINC000077504007 508325095 /nfs/dbraw/zinc/32/50/95/508325095.db2.gz UJENIPJXURQOIC-QGZVFWFLSA-N 2 0 369.513 2.585 50 0 FFAARP CC(C)c1nnc([C@@H]2C[N@H+](C)CC23CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257174557 509944330 /nfs/dbraw/zinc/94/43/30/509944330.db2.gz IFGYYJMAOHSOSI-KRWDZBQOSA-N 2 0 355.486 2.899 50 0 FFAARP CCC[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)C1 ZINC000426536555 513973504 /nfs/dbraw/zinc/97/35/04/513973504.db2.gz TUGNNNDEHCCFAW-IBGZPJMESA-N 2 0 373.545 2.734 50 0 FFAARP Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)N2CC([NH+]3CCCCC3)C2)C1 ZINC000534579009 517949405 /nfs/dbraw/zinc/94/94/05/517949405.db2.gz NEFHVFLBKHRRRM-LJQANCHMSA-N 2 0 370.541 2.697 50 0 FFAARP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCSC1 ZINC000089337154 522479219 /nfs/dbraw/zinc/47/92/19/522479219.db2.gz SYHVNWRHBHYFLL-HZPDHXFCSA-N 2 0 367.584 2.514 50 0 FFAARP CCc1cc(N2CCC([N@H+](C)C[C@H]3CCOC3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095500965 536144896 /nfs/dbraw/zinc/14/48/96/536144896.db2.gz BBBGFLWFWRGGHS-QGZVFWFLSA-N 2 0 373.545 2.576 50 0 FFAARP Cc1cc(C)n([C@H]2CC[N@H+](CC3(c4ccc(C)cn4)CC[NH2+]CC3)C2)n1 ZINC000065394695 999876508 /nfs/dbraw/zinc/87/65/08/999876508.db2.gz ZXJUBHNHKMOJEF-IBGZPJMESA-N 2 0 353.514 2.772 50 0 FFAARP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C)cc(N3CC[NH+](C)CC3)c2)C1 ZINC000240423823 534946580 /nfs/dbraw/zinc/94/65/80/534946580.db2.gz FRCPZQKFMGLJIF-SFHVURJKSA-N 2 0 373.545 2.600 50 0 FFAARP COc1ccccc1/C=C/C[NH+]1CCC(CCC(=O)NCC[NH+](C)C)CC1 ZINC000012439570 219995811 /nfs/dbraw/zinc/99/58/11/219995811.db2.gz YKPVLWRHURJAQU-SOFGYWHQSA-N 2 0 373.541 2.878 50 0 FFAARP CC(C)[NH+]1CCC(N2CC[N@H+](CC3CCCCC3)C[C@@H]2CCO)CC1 ZINC000019227040 220241462 /nfs/dbraw/zinc/24/14/62/220241462.db2.gz BXTJUAKEPFHUAN-NRFANRHFSA-N 2 0 351.579 2.808 50 0 FFAARP CN(CCC[NH+]1CCCCCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000020909819 220344344 /nfs/dbraw/zinc/34/43/44/220344344.db2.gz ITLBWNISKFTNCO-YADHBBJMSA-N 2 0 371.569 2.921 50 0 FFAARP CCn1c(CC2CC[NH+](Cc3ccc([C@H](C)[NH+](C)C)cc3)CC2)n[nH]c1=O ZINC000071661891 221354058 /nfs/dbraw/zinc/35/40/58/221354058.db2.gz HFVVDVKONGZNPN-INIZCTEOSA-N 2 0 371.529 2.669 50 0 FFAARP COc1ccc2[nH]c(=O)c(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC000065427370 136136415 /nfs/dbraw/zinc/13/64/15/136136415.db2.gz AOYHCGIHWKTZHG-UHFFFAOYSA-N 2 0 350.422 2.666 50 0 FFAARP CN(Cc1cccc2ccccc21)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072410314 507785721 /nfs/dbraw/zinc/78/57/21/507785721.db2.gz HHQYNXOEFFZVHW-HXUWFJFHSA-N 2 0 351.494 2.872 50 0 FFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCCc1ccccc1)CC[NH+](C)CC2 ZINC000072418490 507786501 /nfs/dbraw/zinc/78/65/01/507786501.db2.gz VSFXHWAQGVSVCE-FQEVSTJZSA-N 2 0 357.542 2.932 50 0 FFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCOc1ccccc1C)CC[NH+](C)CC2 ZINC000072431610 507790773 /nfs/dbraw/zinc/79/07/73/507790773.db2.gz IAFQVWDLIPATBP-IBGZPJMESA-N 2 0 373.541 2.686 50 0 FFAARP Cc1c(C[N@@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)[nH]c2ccccc12 ZINC000091487119 507989792 /nfs/dbraw/zinc/98/97/92/507989792.db2.gz UQZPJSUCHVWYGY-QFIPXVFZSA-N 2 0 371.525 2.772 50 0 FFAARP CC1(C)C[N@H+](Cc2cccc(Cl)c2)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000091872851 508021151 /nfs/dbraw/zinc/02/11/51/508021151.db2.gz VPRKQUFXDUNYCF-IBGZPJMESA-N 2 0 352.906 2.635 50 0 FFAARP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](Cc1cc(F)cc(F)c1)CC2 ZINC000091914958 508024609 /nfs/dbraw/zinc/02/46/09/508024609.db2.gz AFSSDMYMRRTTKI-UHFFFAOYSA-N 2 0 365.468 2.731 50 0 FFAARP C[NH+]1CCC(N(CCn2c3ccccc3oc2=O)Cc2cccnc2)CC1 ZINC000215994905 509255398 /nfs/dbraw/zinc/25/53/98/509255398.db2.gz JNDDGCQAUNCVDX-UHFFFAOYSA-N 2 0 366.465 2.586 50 0 FFAARP OCC[N@@H+]1CCCn2ccnc2[C@@H]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000257190561 509952346 /nfs/dbraw/zinc/95/23/46/509952346.db2.gz MXORJZCPNNWICZ-NRFANRHFSA-N 2 0 368.525 2.577 50 0 FFAARP Cc1ccc(C(=O)N(C)Cc2ccccc2C[NH+](C)C)cc1OCC[NH3+] ZINC000426535154 513972503 /nfs/dbraw/zinc/97/25/03/513972503.db2.gz MDCSCWQOOVZWIR-UHFFFAOYSA-N 2 0 355.482 2.666 50 0 FFAARP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCSC1 ZINC000089337152 522479595 /nfs/dbraw/zinc/47/95/95/522479595.db2.gz SYHVNWRHBHYFLL-JKSUJKDBSA-N 2 0 367.584 2.514 50 0 FFAARP OC[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091695529 527620943 /nfs/dbraw/zinc/62/09/43/527620943.db2.gz DBAIKEZTYSIKOF-NHCUHLMSSA-N 2 0 368.525 2.789 50 0 FFAARP CSCCC[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012712054 727815086 /nfs/dbraw/zinc/81/50/86/727815086.db2.gz CMSCDIIQSXQZLA-GOSISDBHSA-N 2 0 352.544 2.755 50 0 FFAARP CN1CCO[C@@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000675012025 971486653 /nfs/dbraw/zinc/48/66/53/971486653.db2.gz YUXSUMHLQUBJQS-LEWJYISDSA-N 2 0 371.525 2.535 50 0 FFAARP COc1ccc(C[NH+]2CCC3(C[N@@H+](C4CCC4)C[C@H]3CO)CC2)cc1OC ZINC000169782454 984967899 /nfs/dbraw/zinc/96/78/99/984967899.db2.gz KEXUGIUWYMLYDN-SFHVURJKSA-N 2 0 374.525 2.763 50 0 FFAARP OC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000169791324 984968576 /nfs/dbraw/zinc/96/85/76/984968576.db2.gz BUKNZMZWZOHSSN-OAQYLSRUSA-N 2 0 351.494 2.788 50 0 FFAARP COc1ccc(C[C@H]([NH3+])C(=O)Nc2ccccc2C[NH+]2CCCC2)cc1 ZINC000824673634 999245546 /nfs/dbraw/zinc/24/55/46/999245546.db2.gz FJWBDRKTTOIPJZ-IBGZPJMESA-N 2 0 353.466 2.800 50 0 FFAARP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000952972210 1011017768 /nfs/dbraw/zinc/01/77/68/1011017768.db2.gz WQJTYQWKKKHQPM-HXUWFJFHSA-N 2 0 371.525 2.561 50 0 FFAARP O[C@@H]1C[N@H+](Cc2cc(C[NH+]3CCCCC3)cs2)C[C@H]1Cc1cnccn1 ZINC001529168440 1062199579 /nfs/dbraw/zinc/19/95/79/1062199579.db2.gz DJUSOCOHSROEMF-YLJYHZDGSA-N 2 0 372.538 2.559 50 0 FFAARP CC(C)[NH+]1CCN(C(=O)c2cccc3[nH]cc(C[NH+]4CCCC4)c32)CC1 ZINC000065135827 221171670 /nfs/dbraw/zinc/17/16/70/221171670.db2.gz FBMJFCLKJFTXOS-UHFFFAOYSA-N 2 0 354.498 2.930 50 0 FFAARP CC[NH+](CC)[C@H](Cn1cnc2sc3c(c2c1=O)CC[NH2+]C3)c1ccco1 ZINC000065373591 221205011 /nfs/dbraw/zinc/20/50/11/221205011.db2.gz RVVXHKSLDMZUHG-CQSZACIVSA-N 2 0 372.494 2.780 50 0 FFAARP Cc1cc2n(n1)C[C@H](C[NH2+]C1CC[NH+](CCc3ccccc3)CC1)CN2 ZINC000069328546 221323765 /nfs/dbraw/zinc/32/37/65/221323765.db2.gz NMDMIUQCGPVQNA-LJQANCHMSA-N 2 0 353.514 2.530 50 0 FFAARP O=C(NCCC12CCC[NH+]1CCC2)c1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000072173700 221447795 /nfs/dbraw/zinc/44/77/95/221447795.db2.gz YADARAWGPOTJLI-LJQANCHMSA-N 2 0 355.526 2.977 50 0 FFAARP Cc1cc(N2CCC([NH2+]C[C@@H]3CCCCO3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095375305 132209107 /nfs/dbraw/zinc/20/91/07/132209107.db2.gz DHXRYQMZBNISTF-SFHVURJKSA-N 2 0 359.518 2.513 50 0 FFAARP CC(C)NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011662362 506785554 /nfs/dbraw/zinc/78/55/54/506785554.db2.gz VJJDEHSHJLZALZ-FQEVSTJZSA-N 2 0 369.553 2.855 50 0 FFAARP [NH3+]Cc1cn(C[C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)nn1 ZINC000023430393 507354296 /nfs/dbraw/zinc/35/42/96/507354296.db2.gz ZULRZHZCZGBPKV-HNNXBMFYSA-N 2 0 368.510 2.773 50 0 FFAARP COc1ccc(C[NH+]2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c(C)c1 ZINC000091690085 508002549 /nfs/dbraw/zinc/00/25/49/508002549.db2.gz CPBOWNVUMOELLM-UHFFFAOYSA-N 2 0 373.541 2.770 50 0 FFAARP Cc1ccccc1C[NH+]1CCC2(CCC(=O)N([C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000092064977 508038899 /nfs/dbraw/zinc/03/88/99/508038899.db2.gz LXADQHHNQRVYJP-HXUWFJFHSA-N 2 0 355.526 2.904 50 0 FFAARP O=C(C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2)NC1CC1 ZINC000095374489 508180031 /nfs/dbraw/zinc/18/00/31/508180031.db2.gz SCXQGGCNSWDEJC-IBGZPJMESA-N 2 0 367.537 2.999 50 0 FFAARP Clc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC000166066988 509594639 /nfs/dbraw/zinc/59/46/39/509594639.db2.gz XFCFIISPYICRJF-QKLQHJQFSA-N 2 0 363.933 2.930 50 0 FFAARP CSCC[NH+]1CCC(NC(=O)c2cccc(-c3c[nH+]ccc3N)c2)CC1 ZINC000426563222 513982004 /nfs/dbraw/zinc/98/20/04/513982004.db2.gz HUOUKUXMDZTEKJ-UHFFFAOYSA-N 2 0 370.522 2.718 50 0 FFAARP Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)c(OCCC[NH3+])c1 ZINC000426648203 514005306 /nfs/dbraw/zinc/00/53/06/514005306.db2.gz WBBVPWUWALPSDI-GOSISDBHSA-N 2 0 359.514 2.813 50 0 FFAARP OCC1CC[NH+]([C@@H]2CCCN(C3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000022892757 966160184 /nfs/dbraw/zinc/16/01/84/966160184.db2.gz JHODOHAATQFPRE-HSZRJFAPSA-N 2 0 371.569 2.820 50 0 FFAARP CC[C@@H](C)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000011664923 988092427 /nfs/dbraw/zinc/09/24/27/988092427.db2.gz OCVRIGWQICCTKY-QGZVFWFLSA-N 2 0 358.530 2.673 50 0 FFAARP Cc1c[nH+]ccc1NCCNC(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000827807438 999538857 /nfs/dbraw/zinc/53/88/57/999538857.db2.gz VARVIGVUZUWDAF-UHFFFAOYSA-N 2 0 366.509 2.642 50 0 FFAARP CCOc1ccccc1NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000006319372 219724482 /nfs/dbraw/zinc/72/44/82/219724482.db2.gz WHMKUHBFTAPERF-UHFFFAOYSA-N 2 0 366.575 2.988 50 0 FFAARP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CNc4ccnn4C3)cc2)C1 ZINC000058308383 221114040 /nfs/dbraw/zinc/11/40/40/221114040.db2.gz PROIIPUFBOWJSV-FXAWDEMLSA-N 2 0 353.514 2.947 50 0 FFAARP Cc1ccc(C2(C[N@H+](C)C[C@@H]3COc4ccccc4O3)CC[NH2+]CC2)nc1 ZINC000065385664 221208393 /nfs/dbraw/zinc/20/83/93/221208393.db2.gz LLHVIEHUGUMYME-GOSISDBHSA-N 2 0 367.493 2.783 50 0 FFAARP Cc1ccccc1[C@H]1CC[N@@H+](CCNc2nc(C)nc3c2CC[NH2+]C3)C1 ZINC000067674482 221268342 /nfs/dbraw/zinc/26/83/42/221268342.db2.gz BQQRYVTZCXGLMR-KRWDZBQOSA-N 2 0 351.498 2.641 50 0 FFAARP Cc1nc2c(c(NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)n1)CC[NH2+]C2 ZINC000067785593 221284723 /nfs/dbraw/zinc/28/47/23/221284723.db2.gz PJNQPVKZNHNYDI-SFHVURJKSA-N 2 0 351.498 2.755 50 0 FFAARP Cc1cc2n(n1)C[C@@H](C[NH2+]CC1CC[NH+](Cc3ccccc3)CC1)CN2 ZINC000069328853 221324467 /nfs/dbraw/zinc/32/44/67/221324467.db2.gz SGRGYGNADVNASF-FQEVSTJZSA-N 2 0 353.514 2.735 50 0 FFAARP O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072146466 221424553 /nfs/dbraw/zinc/42/45/53/221424553.db2.gz NBNVCHWLBXOANW-HXUWFJFHSA-N 2 0 365.477 2.827 50 0 FFAARP COCCC[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000011839821 506797345 /nfs/dbraw/zinc/79/73/45/506797345.db2.gz NHHWSMPAQHYFTA-OAQYLSRUSA-N 2 0 372.509 2.684 50 0 FFAARP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012435706 506864337 /nfs/dbraw/zinc/86/43/37/506864337.db2.gz PXXSPYATIXOOMH-LJQANCHMSA-N 2 0 358.530 2.530 50 0 FFAARP Cc1cc(N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc(N)[nH+]1 ZINC000072171637 507769249 /nfs/dbraw/zinc/76/92/49/507769249.db2.gz NKRUJPJYDSUVPE-QXAKKESOSA-N 2 0 371.435 2.712 50 0 FFAARP CC(C)[NH+]1CCC(C(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)CC1 ZINC000095500232 508190714 /nfs/dbraw/zinc/19/07/14/508190714.db2.gz XSVSJCSRFOHCFN-FQEVSTJZSA-N 2 0 358.530 2.845 50 0 FFAARP O[C@@H](COc1cccc(C[NH+]2CCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000095525220 508195428 /nfs/dbraw/zinc/19/54/28/508195428.db2.gz WYZFQEUBGAQTOK-OAQYLSRUSA-N 2 0 352.478 2.690 50 0 FFAARP COc1ccc(C[NH+]2CCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000095524797 508195698 /nfs/dbraw/zinc/19/56/98/508195698.db2.gz FVXZGNLQPJLARK-HXUWFJFHSA-N 2 0 370.493 2.773 50 0 FFAARP O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000077354914 508304251 /nfs/dbraw/zinc/30/42/51/508304251.db2.gz BJHSMMNEAIWYKH-QGZVFWFLSA-N 2 0 361.917 2.764 50 0 FFAARP CNC(=O)CC1CC[NH+](Cc2ccc(OC)c(C[NH+]3CCCC3)c2)CC1 ZINC000216483200 509262425 /nfs/dbraw/zinc/26/24/25/509262425.db2.gz AQXDPFHLXKFIAY-UHFFFAOYSA-N 2 0 359.514 2.639 50 0 FFAARP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000219709192 509292343 /nfs/dbraw/zinc/29/23/43/509292343.db2.gz WKHCAKVIQGKHDT-GOSISDBHSA-N 2 0 374.525 2.764 50 0 FFAARP Cn1ncc2c1ncnc2SC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000170617576 509682074 /nfs/dbraw/zinc/68/20/74/509682074.db2.gz AINURXQSXALHPL-INIZCTEOSA-N 2 0 369.494 2.747 50 0 FFAARP O[C@H]1C[C@@H]([C@@H](Cc2ccncc2)[NH2+]C2CCN(Cc3ccco3)CC2)C1 ZINC000244899682 509877619 /nfs/dbraw/zinc/87/76/19/509877619.db2.gz ZNXKTEXFKAGZHA-SLYNCCJLSA-N 2 0 355.482 2.611 50 0 FFAARP Cc1noc(C)c1C[N@H+]1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000426575019 513984273 /nfs/dbraw/zinc/98/42/73/513984273.db2.gz NLKHTKOLMAYWCG-QGZVFWFLSA-N 2 0 372.517 2.785 50 0 FFAARP CN1CCN(C(=O)c2cc(F)ccc2OCCC[NH3+])C[C@H]1c1ccccc1 ZINC000426602334 513993398 /nfs/dbraw/zinc/99/33/98/513993398.db2.gz DGLSYWHEUGILQX-IBGZPJMESA-N 2 0 371.456 2.682 50 0 FFAARP CCCCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000241644619 520875132 /nfs/dbraw/zinc/87/51/32/520875132.db2.gz PSFQIOVHGFIIGB-PZJWPPBQSA-N 2 0 373.541 2.946 50 0 FFAARP OC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000169750488 984951732 /nfs/dbraw/zinc/95/17/32/984951732.db2.gz CORCPRWVSRGSJX-NRFANRHFSA-N 2 0 351.494 2.788 50 0 FFAARP Cc1cc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)CC2)cc(C)[nH+]1 ZINC000822413196 998873392 /nfs/dbraw/zinc/87/33/92/998873392.db2.gz UEGXIXZAFMIAHU-KRWDZBQOSA-N 2 0 373.545 2.652 50 0 FFAARP CC[NH+]1CCN(CCOc2ccc(C[N@H+](C)Cc3cccnc3)cc2)CC1 ZINC000823116367 998987962 /nfs/dbraw/zinc/98/79/62/998987962.db2.gz HJQZFJBQBKWOTA-UHFFFAOYSA-N 2 0 368.525 2.730 50 0 FFAARP CC/C=C(/C[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1)c1ccccc1 ZINC000952869932 1011002518 /nfs/dbraw/zinc/00/25/18/1011002518.db2.gz PRNKHCFPKCUWNS-MPUCSWFWSA-N 2 0 357.542 2.554 50 0 FFAARP COCC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000015074526 220145579 /nfs/dbraw/zinc/14/55/79/220145579.db2.gz CRSQRZYCYKJVQU-LJQANCHMSA-N 2 0 365.562 2.602 50 0 FFAARP CC(C)(C)C[N@@H+]1CCN(C2CC[NH+](Cc3ccco3)CC2)C[C@@H]1CCO ZINC000020877683 220344575 /nfs/dbraw/zinc/34/45/75/220344575.db2.gz OOXANRWQODNHEU-IBGZPJMESA-N 2 0 363.546 2.659 50 0 FFAARP C[C@H](O)c1cn(C2CC[NH+](CC(C)(C)C[NH+]3CCCCCC3)CC2)nn1 ZINC000063848374 221143359 /nfs/dbraw/zinc/14/33/59/221143359.db2.gz JFOJWEZGYIZTED-KRWDZBQOSA-N 2 0 363.550 2.871 50 0 FFAARP CC(C)C[NH+]1CCC([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)CC1 ZINC000067908052 221303974 /nfs/dbraw/zinc/30/39/74/221303974.db2.gz SFWJVPYOVCVJKJ-UHFFFAOYSA-N 2 0 351.926 2.809 50 0 FFAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC(CCCc2ccccc2)CC1 ZINC000072156052 221433902 /nfs/dbraw/zinc/43/39/02/221433902.db2.gz KUUONBOOOVKTSP-OAQYLSRUSA-N 2 0 369.553 2.980 50 0 FFAARP COc1ccc(C[NH2+]CCCSC)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011873215 506801375 /nfs/dbraw/zinc/80/13/75/506801375.db2.gz GEIFCVHMWQQGAI-KRWDZBQOSA-N 2 0 370.559 2.618 50 0 FFAARP Cc1nn(C)c(C)c1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000069833363 507571092 /nfs/dbraw/zinc/57/10/92/507571092.db2.gz DUCVTRWQUMVPAT-HOTGVXAUSA-N 2 0 356.514 2.936 50 0 FFAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1ccc(C)o1)C2 ZINC000072172744 507770098 /nfs/dbraw/zinc/77/00/98/507770098.db2.gz HIMSWWRZHXGDKH-SBHAEUEKSA-N 2 0 362.514 2.927 50 0 FFAARP OCCOCC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095375224 508179826 /nfs/dbraw/zinc/17/98/26/508179826.db2.gz JOYQQZZIGIKBJB-FQEVSTJZSA-N 2 0 358.526 2.729 50 0 FFAARP O[C@H](COc1cccc(C[N@@H+]2CCCOCC2)c1)C[NH+]1CCCCCC1 ZINC000095497359 508189567 /nfs/dbraw/zinc/18/95/67/508189567.db2.gz VBMZMIRKSYZZHV-FQEVSTJZSA-N 2 0 362.514 2.525 50 0 FFAARP O=c1c2c(ncn1CCC[NH+]1Cc3ccccc3C1)sc1c2CC[NH2+]C1 ZINC000077437628 508315433 /nfs/dbraw/zinc/31/54/33/508315433.db2.gz SNNWWWCPUWZEMJ-UHFFFAOYSA-N 2 0 366.490 2.510 50 0 FFAARP COc1ccc(C[NH+]2CCC(CNC(C)=O)CC2)cc1C[NH+]1CCCC1 ZINC000215376224 509247315 /nfs/dbraw/zinc/24/73/15/509247315.db2.gz VQKZCNCEDZEMHQ-UHFFFAOYSA-N 2 0 359.514 2.639 50 0 FFAARP COc1ccc(C[NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)c(OC)c1C ZINC000218785261 509281887 /nfs/dbraw/zinc/28/18/87/509281887.db2.gz IZQXGALAFSHGDE-UHFFFAOYSA-N 2 0 362.514 2.683 50 0 FFAARP C[NH+](C)Cc1ccc(CSCC[NH2+][C@H]2CCOC3(CCOCC3)C2)o1 ZINC000082134325 521905835 /nfs/dbraw/zinc/90/58/35/521905835.db2.gz KVTSVTLSSBSQBX-INIZCTEOSA-N 2 0 368.543 2.892 50 0 FFAARP C[N@H+](CCc1ccccc1)Cc1cc2n(n1)CCC[NH+](C[C@H]1CCOC1)C2 ZINC000257372230 971344065 /nfs/dbraw/zinc/34/40/65/971344065.db2.gz LTXRBEKFEVCBRE-HXUWFJFHSA-N 2 0 368.525 2.800 50 0 FFAARP Cc1nnc([C@H]2C[N@H+](Cc3cccnc3)CC23CC[NH+](CC2CC2)CC3)o1 ZINC000675014633 971492761 /nfs/dbraw/zinc/49/27/61/971492761.db2.gz OZVWLGMYKFSCAI-LJQANCHMSA-N 2 0 367.497 2.865 50 0 FFAARP COCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000011936535 987794118 /nfs/dbraw/zinc/79/41/18/987794118.db2.gz XHVCFEJSKVVIEX-HNNXBMFYSA-N 2 0 354.454 2.881 50 0 FFAARP O[C@H]1[C@H]([NH2+]Cc2cc(-c3ccccc3)n[nH]2)c2ccccc2C12CC[NH2+]CC2 ZINC000072174593 1019837255 /nfs/dbraw/zinc/83/72/55/1019837255.db2.gz NNRKBBLLKMYYQG-YADHBBJMSA-N 2 0 374.488 2.903 50 0 FFAARP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)(c2ccccc2)CC1 ZINC000299781023 530047843 /nfs/dbraw/zinc/04/78/43/530047843.db2.gz OCOYGECWURCWMB-SFHVURJKSA-N 2 0 357.542 2.887 50 0 FFAARP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)c1ccc(C[NH3+])o1 ZINC000299739140 223078160 /nfs/dbraw/zinc/07/81/60/223078160.db2.gz LBLDGTHIRVYPIW-IGOJGBNBSA-N 2 0 355.482 2.967 50 0 FFAARP COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2CC[NH+]2CCCCC2)c1 ZINC000015002318 220140470 /nfs/dbraw/zinc/14/04/70/220140470.db2.gz FTTVNDOWWQXBBX-LJQANCHMSA-N 2 0 359.514 2.652 50 0 FFAARP CCOc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(Br)c1OC ZINC000015083251 220146810 /nfs/dbraw/zinc/14/68/10/220146810.db2.gz PAOOPQNDGSEGML-UHFFFAOYSA-N 2 0 357.292 2.946 50 0 FFAARP O[C@@]1(C[NH2+]CCc2csc(-c3cccnc3)n2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063855495 221143442 /nfs/dbraw/zinc/14/34/42/221143442.db2.gz CUAUKSBTMIYUEE-UYAOXDASSA-N 2 0 372.538 2.717 50 0 FFAARP CCc1ccccc1NC(=O)CC[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063835315 221143653 /nfs/dbraw/zinc/14/36/53/221143653.db2.gz FHWNOHDPBOMMLO-TZIWHRDSSA-N 2 0 359.514 2.547 50 0 FFAARP COCCCN(C(=O)CC[NH+]1CCCCCCC1)C1CC[NH+](C)CC1 ZINC000063871625 221144923 /nfs/dbraw/zinc/14/49/23/221144923.db2.gz TZKAPAKHHJCZLI-UHFFFAOYSA-N 2 0 353.551 2.602 50 0 FFAARP CCc1cccc(NC(=O)CCN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1 ZINC000065525976 221230287 /nfs/dbraw/zinc/23/02/87/221230287.db2.gz XSGRQIPARAZTCM-UHFFFAOYSA-N 2 0 372.557 2.537 50 0 FFAARP CCOc1ccc2[nH]c(=O)c(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC000067559939 221259831 /nfs/dbraw/zinc/25/98/31/221259831.db2.gz IYJXMOZEKOXPEW-UHFFFAOYSA-N 2 0 364.449 2.644 50 0 FFAARP CN1CCC[N@H+](Cc2ccccc2Cn2cccn2)CC12CC[NH+](C)CC2 ZINC000067672915 221267581 /nfs/dbraw/zinc/26/75/81/221267581.db2.gz FTYFTJPHIDJPTQ-UHFFFAOYSA-N 2 0 367.541 2.533 50 0 FFAARP Cc1cc2n(n1)C[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CN2 ZINC000069328818 221324159 /nfs/dbraw/zinc/32/41/59/221324159.db2.gz ICMMKRMTPJIQDW-WOJBJXKFSA-N 2 0 353.514 2.735 50 0 FFAARP Cc1nc(C)c(C[NH+]2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)s1 ZINC000091646171 221777295 /nfs/dbraw/zinc/77/72/95/221777295.db2.gz JCKCJXYWGPGKJN-UHFFFAOYSA-N 2 0 364.559 2.526 50 0 FFAARP CCn1ccnc1[C@@H]1CCCN(C(=O)CC2=CSC3=NCCCN23)C1 ZINC000102218359 222292659 /nfs/dbraw/zinc/29/26/59/222292659.db2.gz QLPRYCOZKRBGFW-CQSZACIVSA-N 2 0 359.499 2.649 50 0 FFAARP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000107051159 222390304 /nfs/dbraw/zinc/39/03/04/222390304.db2.gz JXHHNFGWTDIXLS-OTWHNJEPSA-N 2 0 365.562 2.504 50 0 FFAARP CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011759164 506793201 /nfs/dbraw/zinc/79/32/01/506793201.db2.gz HCDJXPURGSBPTH-FQEVSTJZSA-N 2 0 369.553 2.809 50 0 FFAARP C[NH+](C)Cc1ccccc1CNC(=O)NCc1ccccc1C[NH+](C)C ZINC000025044778 507460975 /nfs/dbraw/zinc/46/09/75/507460975.db2.gz PVAUZGFPGIPZBM-UHFFFAOYSA-N 2 0 354.498 2.809 50 0 FFAARP Cc1ccc([C@@H](C)CC[NH+]2CCC3(CN(CC[NH+](C)C)C(=O)O3)CC2)o1 ZINC000072410392 507785403 /nfs/dbraw/zinc/78/54/03/507785403.db2.gz SDGKQESWTAUIKL-INIZCTEOSA-N 2 0 363.502 2.930 50 0 FFAARP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3cccc4ccccc43)C[C@@H]2CO)CC1 ZINC000091712989 508005029 /nfs/dbraw/zinc/00/50/29/508005029.db2.gz PYWDMTHHEDMCBD-FGZHOGPDSA-N 2 0 367.537 2.518 50 0 FFAARP C[NH+]1CCC(C[NH+]2CCN(Cc3cc(=O)c4cc(F)ccc4[nH]3)CC2)CC1 ZINC000092065639 508039178 /nfs/dbraw/zinc/03/91/78/508039178.db2.gz PTKMEDBLOGYIGL-UHFFFAOYSA-N 2 0 372.488 2.539 50 0 FFAARP C[N@H+]1C[C@H]2CN(C(=O)c3ccc(-c4cccc5c(N)cc[nH+]c54)cc3)C[C@H]2C1 ZINC000534577610 517950648 /nfs/dbraw/zinc/95/06/48/517950648.db2.gz HQINTZFILXABHJ-HDICACEKSA-N 2 0 372.472 2.948 50 0 FFAARP COCC[NH+]1CCC(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CC1 ZINC000067689249 536858741 /nfs/dbraw/zinc/85/87/41/536858741.db2.gz CMTNWGOHFCIYGP-UHFFFAOYSA-N 3 0 368.525 2.715 50 0 FFAARP O[C@H](COc1ccccc1C[NH+]1CCCCCC1)C[NH+]1CCSCC1 ZINC000012430859 727813660 /nfs/dbraw/zinc/81/36/60/727813660.db2.gz REZADZGHZVRWDR-IBGZPJMESA-N 2 0 364.555 2.851 50 0 FFAARP COc1cc(C[NH2+]C2CCCCC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012576935 990740091 /nfs/dbraw/zinc/74/00/91/990740091.db2.gz DWCQSFRSIZNXRC-IBGZPJMESA-N 2 0 362.514 2.953 50 0 FFAARP Fc1cccc([C@]2(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)CCOC2)c1 ZINC000019841406 1022546554 /nfs/dbraw/zinc/54/65/54/1022546554.db2.gz AWPNHBYZTMWJTN-NRFANRHFSA-N 2 0 362.489 2.528 50 0 FFAARP O[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)s2)C[C@H]1Cc1cnccn1 ZINC001529104236 1062163382 /nfs/dbraw/zinc/16/33/82/1062163382.db2.gz MNPOMTANIFKWDP-OXQOHEQNSA-N 2 0 372.538 2.559 50 0 FFAARP C[C@H](C1CC[NH+](CCCOCc2ccccc2)CC1)[NH+]1CCN(C)CC1 ZINC001529174569 1062203030 /nfs/dbraw/zinc/20/30/30/1062203030.db2.gz VUIXGQDORVTYCL-HXUWFJFHSA-N 2 0 359.558 2.941 50 0 FFAARP CC(C)Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cc1 ZINC000039421434 205046904 /nfs/dbraw/zinc/04/69/04/205046904.db2.gz KIGNOTOFDGJEOI-HSZRJFAPSA-N 2 0 373.585 2.848 50 0 FFAARP CCOc1ccc(OC[C@@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000006552540 206202350 /nfs/dbraw/zinc/20/23/50/206202350.db2.gz SFUKSWHTMCQTCI-INIZCTEOSA-N 2 0 350.503 2.724 50 0 FFAARP COC[C@@H]1CCC[N@H+](Cc2cc(CN3CC[NH+](C)CC3)c(C)cc2C)C1 ZINC000215721420 206349922 /nfs/dbraw/zinc/34/99/22/206349922.db2.gz FCHCBWWLHAJQPU-HXUWFJFHSA-N 2 0 359.558 2.909 50 0 FFAARP C[C@H](c1cccc(C[NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)c1)[NH+](C)C ZINC000219540562 206386513 /nfs/dbraw/zinc/38/65/13/206386513.db2.gz SDBAGASPZAEPFY-LJQANCHMSA-N 3 0 359.558 2.980 50 0 FFAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C2CCSCC2)CC1 ZINC000012203546 506835186 /nfs/dbraw/zinc/83/51/86/506835186.db2.gz MRAPKIWZCQUQTM-LJQANCHMSA-N 2 0 367.603 2.975 50 0 FFAARP [NH3+]Cc1cn(C[C@@H]2CCC[N@H+](C/C=C/C=C/c3ccc(F)cc3)C2)nn1 ZINC000023581050 507360392 /nfs/dbraw/zinc/36/03/92/507360392.db2.gz MGJITHODMKRYGR-LTGKMHJSSA-N 2 0 355.461 2.858 50 0 FFAARP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+]([C@@H]3CCSC3)CC2)OC1=O ZINC000072410660 507785777 /nfs/dbraw/zinc/78/57/77/507785777.db2.gz XYRJNPDSELETSI-QGZVFWFLSA-N 2 0 369.575 2.757 50 0 FFAARP c1coc([C@@H](Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)[NH+]2CCCC2)c1 ZINC000072418561 507786012 /nfs/dbraw/zinc/78/60/12/507786012.db2.gz LXLRXFHIWUPHNQ-GOSISDBHSA-N 2 0 366.469 2.670 50 0 FFAARP COc1cc(C[NH+]2CCCC2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095496618 508189986 /nfs/dbraw/zinc/18/99/86/508189986.db2.gz JTCAAZSVWTWZHZ-IBGZPJMESA-N 2 0 362.514 2.907 50 0 FFAARP CN(Cc1ccccc1)C(=O)CCC1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000102249669 508270855 /nfs/dbraw/zinc/27/08/55/508270855.db2.gz MSSPKPZQDIESPF-AERCQKQUSA-N 2 0 355.526 2.603 50 0 FFAARP c1ccc(C[N@@H+]2CCCO[C@H](CN3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000230253055 509435150 /nfs/dbraw/zinc/43/51/50/509435150.db2.gz TYWYNSCZJLXCTE-VXKWHMMOSA-N 2 0 357.542 2.695 50 0 FFAARP CC(C)c1nnc([C@@H]2C[N@H+](C)CC23CC[NH+](Cc2ccccn2)CC3)o1 ZINC000257175641 509946355 /nfs/dbraw/zinc/94/63/55/509946355.db2.gz QEDLEILFPUEMOA-KRWDZBQOSA-N 2 0 355.486 2.899 50 0 FFAARP COc1ccc(C[NH+]2CCC3(C[N@@H+](C4CCC4)C[C@@H]3CO)CC2)cc1OC ZINC000169782453 984966759 /nfs/dbraw/zinc/96/67/59/984966759.db2.gz KEXUGIUWYMLYDN-GOSISDBHSA-N 2 0 374.525 2.763 50 0 FFAARP CN(CC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)Cc1ccncc1 ZINC000823715111 999072366 /nfs/dbraw/zinc/07/23/66/999072366.db2.gz OUGGDSYJRIAATD-UHFFFAOYSA-N 2 0 368.481 2.625 50 0 FFAARP CCC[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)c(OCC)c1)N(C)C ZINC000952871872 1011004273 /nfs/dbraw/zinc/00/42/73/1011004273.db2.gz DEAUCJIXGIFGQZ-GOSISDBHSA-N 2 0 351.535 2.846 50 0 FFAARP OCC1CC[NH+](Cc2ccccc2NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655747894 1025260600 /nfs/dbraw/zinc/26/06/00/1025260600.db2.gz ZARBBEPHPDRKHD-OAQYLSRUSA-N 2 0 373.541 2.556 50 0 FFAARP Cc1c[nH+]ccc1N1CCC[N@@H+]([C@H]2CCC(=O)N(CC3CC3)CC2)CC1 ZINC001506415431 1059503814 /nfs/dbraw/zinc/50/38/14/1059503814.db2.gz NVBLGFDXKVAUCT-IBGZPJMESA-N 2 0 356.514 2.693 50 0 FFAARP CCC[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]C3CCCC3)s2)CC1 ZINC000007002074 204285627 /nfs/dbraw/zinc/28/56/27/204285627.db2.gz XJJVNHCKMROEEB-UHFFFAOYSA-N 2 0 374.558 2.893 50 0 FFAARP c1cc(-c2nc(C[NH2+]C3CCC4(CC[NH2+]CC4)CC3)no2)cc2c1OCO2 ZINC000067805260 205391904 /nfs/dbraw/zinc/39/19/04/205391904.db2.gz ZJJPLQUEFYVYKR-UHFFFAOYSA-N 2 0 370.453 2.867 50 0 FFAARP Cc1cc(C)c(C[N@@H+]2CCCCC[C@H]2CO)cc1CN1CC[NH+](C)CC1 ZINC000215495440 206348267 /nfs/dbraw/zinc/34/82/67/206348267.db2.gz ZBUNHYOOLRLUBL-QFIPXVFZSA-N 2 0 359.558 2.788 50 0 FFAARP C[C@@H](c1cccc(-c2cc(N3CC[NH+](C)CC3)nc(N)n2)c1)[NH+]1CCCC1 ZINC000216470514 132271771 /nfs/dbraw/zinc/27/17/71/132271771.db2.gz AIDSHVXCJYFIHV-INIZCTEOSA-N 2 0 366.513 2.634 50 0 FFAARP [NH3+]CCCOc1ccc(F)cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000426498797 263608906 /nfs/dbraw/zinc/60/89/06/263608906.db2.gz YMIRIRHJYWCWGL-UHFFFAOYSA-N 2 0 363.477 2.644 50 0 FFAARP CC[NH+](CC)CCC[C@@H](C)NC(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000426613035 263644157 /nfs/dbraw/zinc/64/41/57/263644157.db2.gz ZKDAMCLUAZWAMJ-GOSISDBHSA-N 2 0 361.534 2.732 50 0 FFAARP C[C@@H](COc1ccccc1)[NH+]1CCC(CCC(=O)NCC[NH+](C)C)CC1 ZINC000011754181 506793456 /nfs/dbraw/zinc/79/34/56/506793456.db2.gz IWOGEJLMFOSIAG-SFHVURJKSA-N 2 0 361.530 2.624 50 0 FFAARP COc1cc(C[NH2+]CCCSC)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012314567 506846967 /nfs/dbraw/zinc/84/69/67/506846967.db2.gz LXFNDNQTQYFWND-QGZVFWFLSA-N 2 0 370.559 2.618 50 0 FFAARP C[NH+]1CCC(CN(CCc2ccccc2)C(=O)C[NH+]2CCCCC2)CC1 ZINC000012429278 506861955 /nfs/dbraw/zinc/86/19/55/506861955.db2.gz SWQSVZAMLVLICD-UHFFFAOYSA-N 2 0 357.542 2.885 50 0 FFAARP CC(C)(C)C[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000015072089 507016100 /nfs/dbraw/zinc/01/61/00/507016100.db2.gz MQNLUNVILKPEIA-UHFFFAOYSA-N 2 0 372.557 2.920 50 0 FFAARP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000023337560 507347993 /nfs/dbraw/zinc/34/79/93/507347993.db2.gz ZHHSQTNLHMUBHI-LJQANCHMSA-N 2 0 370.541 2.817 50 0 FFAARP Fc1cccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000071748824 507709824 /nfs/dbraw/zinc/70/98/24/507709824.db2.gz GYHABXLCFQZJHD-IOMROCGXSA-N 2 0 361.480 2.826 50 0 FFAARP O=C(NCCCC[NH+]1CCOCC1)c1ccc(C[NH+]2CCCCC2)s1 ZINC000072301560 507773230 /nfs/dbraw/zinc/77/32/30/507773230.db2.gz LAXRVSLECAYQOY-UHFFFAOYSA-N 2 0 365.543 2.576 50 0 FFAARP O=C(C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2)NC1CC1 ZINC000095374488 508179642 /nfs/dbraw/zinc/17/96/42/508179642.db2.gz SCXQGGCNSWDEJC-LJQANCHMSA-N 2 0 367.537 2.999 50 0 FFAARP CC[NH+]1CCC(CC(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)CC1 ZINC000095519010 508194197 /nfs/dbraw/zinc/19/41/97/508194197.db2.gz BXWYDLBSCWTLLW-FQEVSTJZSA-N 2 0 358.530 2.847 50 0 FFAARP OCC1(C[NH+]2CCCC2)CC[NH+](Cc2cccc(Cn3cccn3)c2)CC1 ZINC000223661764 509343990 /nfs/dbraw/zinc/34/39/90/509343990.db2.gz ACLKZKJVVQITTR-UHFFFAOYSA-N 2 0 368.525 2.602 50 0 FFAARP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000244795347 509872373 /nfs/dbraw/zinc/87/23/73/509872373.db2.gz REQZQCMXJPDIAH-SFTDATJTSA-N 2 0 373.541 2.513 50 0 FFAARP CC(C)c1nnc([C@H]2C[N@H+](C)CC23CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257174558 509944172 /nfs/dbraw/zinc/94/41/72/509944172.db2.gz IFGYYJMAOHSOSI-QGZVFWFLSA-N 2 0 355.486 2.899 50 0 FFAARP [NH3+]CCOc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000426525838 513970211 /nfs/dbraw/zinc/97/02/11/513970211.db2.gz HMJRQMAPXYMORV-MRXNPFEDSA-N 2 0 365.905 2.768 50 0 FFAARP c1c(C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)nn2c1C[NH2+]CCC2 ZINC000082083106 526400488 /nfs/dbraw/zinc/40/04/88/526400488.db2.gz PDGZBWOSKSQUNN-UHFFFAOYSA-N 2 0 365.525 2.624 50 0 FFAARP CC(C)CC[NH2+][C@@H]1CCc2c(sc3ncn(CC[NH+](C)C)c(=O)c32)C1 ZINC000012332043 845023236 /nfs/dbraw/zinc/02/32/36/845023236.db2.gz AWBCWLGPTOLOPJ-CQSZACIVSA-N 2 0 362.543 2.513 50 0 FFAARP COc1cc(C[NH2+]C2CCCCC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012576944 990739756 /nfs/dbraw/zinc/73/97/56/990739756.db2.gz DWCQSFRSIZNXRC-LJQANCHMSA-N 2 0 362.514 2.953 50 0 FFAARP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)CC1 ZINC000095366532 132208332 /nfs/dbraw/zinc/20/83/32/132208332.db2.gz BUTVKQGZIPBHQJ-GOSISDBHSA-N 2 0 368.481 2.544 50 0 FFAARP CC(C)C[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012304368 506847191 /nfs/dbraw/zinc/84/71/91/506847191.db2.gz XWEHMIDAJHURHN-UHFFFAOYSA-N 2 0 358.530 2.530 50 0 FFAARP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000019721017 507196259 /nfs/dbraw/zinc/19/62/59/507196259.db2.gz IEJOVDQREDMSDG-QFIPXVFZSA-N 2 0 359.558 2.736 50 0 FFAARP Cc1cc2n(n1)C[C@H](C[NH2+]CC1CC[NH+](Cc3ccccc3)CC1)CN2 ZINC000069328848 507467651 /nfs/dbraw/zinc/46/76/51/507467651.db2.gz SGRGYGNADVNASF-HXUWFJFHSA-N 2 0 353.514 2.735 50 0 FFAARP Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccccc2[C@@H]2CC[NH2+]C2)CC1 ZINC000072157841 507764643 /nfs/dbraw/zinc/76/46/43/507764643.db2.gz VQDJNOLJDCETTE-GOSISDBHSA-N 2 0 364.493 2.819 50 0 FFAARP O[C@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1Cl ZINC000072230587 507771175 /nfs/dbraw/zinc/77/11/75/507771175.db2.gz VKBGWVRKRYFGTP-LJQANCHMSA-N 2 0 352.906 2.808 50 0 FFAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCc1cnc(-c3ccccc3)s1)CC[NH2+]CC2 ZINC000072410899 507785360 /nfs/dbraw/zinc/78/53/60/507785360.db2.gz PFHFUSMCZWYIAQ-KRWDZBQOSA-N 2 0 370.522 2.500 50 0 FFAARP O=C1CC[C@H]2C[N@H+](Cc3cccc(F)c3)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072454779 507793661 /nfs/dbraw/zinc/79/36/61/507793661.db2.gz NEMOGFOMUWIWJC-AZUAARDMSA-N 2 0 359.489 2.638 50 0 FFAARP Cc1ccccc1C[NH+]1CCC2(CCC(=O)N([C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000092064979 508039413 /nfs/dbraw/zinc/03/94/13/508039413.db2.gz LXADQHHNQRVYJP-FQEVSTJZSA-N 2 0 355.526 2.904 50 0 FFAARP Cc1nc[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cc(C[NH+](C)C)cs2)C1 ZINC000095361715 508175782 /nfs/dbraw/zinc/17/57/82/508175782.db2.gz PERKLQGWYLDUAA-FUHWJXTLSA-N 2 0 373.570 2.938 50 0 FFAARP CC1CC[NH+](Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)CC1 ZINC000095496633 508189448 /nfs/dbraw/zinc/18/94/48/508189448.db2.gz ZWEBHFHAEMHNNN-LJQANCHMSA-N 2 0 364.555 2.707 50 0 FFAARP Cc1cc(N2CCC[N@H+](C[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc[nH+]1 ZINC000299797905 511685171 /nfs/dbraw/zinc/68/51/71/511685171.db2.gz TXQFKLDTKMKMMT-LJQANCHMSA-N 2 0 364.493 2.955 50 0 FFAARP O=C([C@H]1CC12CC[NH2+]CC2)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000082091536 526529339 /nfs/dbraw/zinc/52/93/39/526529339.db2.gz NFRHREMPQOQGCN-HXUWFJFHSA-N 2 0 355.526 2.543 50 0 FFAARP Cc1csc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000012702579 727814980 /nfs/dbraw/zinc/81/49/80/727814980.db2.gz DEQZTABFUSGLBT-INIZCTEOSA-N 2 0 364.559 2.653 50 0 FFAARP C[C@@H]1CCC(=O)N1c1ccc(N2CCC([NH+]3CCC([NH3+])CC3)CC2)cc1 ZINC000063872211 991718814 /nfs/dbraw/zinc/71/88/14/991718814.db2.gz MNVDIELHRHAZNU-MRXNPFEDSA-N 2 0 356.514 2.594 50 0 FFAARP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000048711025 205166382 /nfs/dbraw/zinc/16/63/82/205166382.db2.gz XJAXLVCMCZLBBE-UHFFFAOYSA-N 2 0 361.921 2.641 50 0 FFAARP c1ccc(-n2c(CC3CC[NH2+]CC3)nnc2SC[C@H]2CC[NH2+]C2)cc1 ZINC000055340769 205214748 /nfs/dbraw/zinc/21/47/48/205214748.db2.gz MXIMEXIEQWQCGY-INIZCTEOSA-N 2 0 357.527 2.511 50 0 FFAARP C[N@H+](Cc1cn(CC(N)=O)c2ccccc12)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067804800 205392481 /nfs/dbraw/zinc/39/24/81/205392481.db2.gz ZCZHSZKMIDTBNT-UHFFFAOYSA-N 2 0 356.514 2.868 50 0 FFAARP c1cc(-c2nc3c(c(NCCC45CCC[NH+]4CCC5)n2)CC[NH2+]C3)ccn1 ZINC000067851393 205397259 /nfs/dbraw/zinc/39/72/59/205397259.db2.gz WXGKATSUZDHTPC-UHFFFAOYSA-N 2 0 364.497 2.615 50 0 FFAARP O=C1C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000005647084 206241010 /nfs/dbraw/zinc/24/10/10/206241010.db2.gz ITQJDRUMVJXLTB-HXUWFJFHSA-N 2 0 363.461 2.573 50 0 FFAARP O=C1N[C@H]2CCC[C@@H]1C[N@H+](Cc1cccc(OCC[NH+]3CCCCC3)c1)C2 ZINC000215016753 206343527 /nfs/dbraw/zinc/34/35/27/206343527.db2.gz NTWGXLUDBYVPPN-UXHICEINSA-N 2 0 371.525 2.652 50 0 FFAARP COc1ccc2n[nH]c(C[N@@H+]3CCCN(c4cc[nH+]c(C)c4)CC3)c2c1 ZINC000072153781 507762997 /nfs/dbraw/zinc/76/29/97/507762997.db2.gz FYSPIRKEXMCEIR-UHFFFAOYSA-N 2 0 351.454 2.987 50 0 FFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1ccc(OC)cc1)CC[NH+](C)CC2 ZINC000072407023 507783664 /nfs/dbraw/zinc/78/36/64/507783664.db2.gz PWQMSHYGEGHMSF-FQEVSTJZSA-N 2 0 373.541 2.850 50 0 FFAARP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091794042 508013742 /nfs/dbraw/zinc/01/37/42/508013742.db2.gz DHABHYFCIMVWMS-HXUWFJFHSA-N 2 0 351.494 2.661 50 0 FFAARP COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095508354 508192140 /nfs/dbraw/zinc/19/21/40/508192140.db2.gz FUCJXMAJNHGUJS-GOSISDBHSA-N 2 0 362.514 2.905 50 0 FFAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH+]2CCC(F)CC2)ccc1OC ZINC000095520256 508195002 /nfs/dbraw/zinc/19/50/02/508195002.db2.gz ZQUJJRNHQGYWQP-GOSISDBHSA-N 2 0 368.493 2.711 50 0 FFAARP CCc1nccn1CCC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000222416180 509315646 /nfs/dbraw/zinc/31/56/46/509315646.db2.gz QCERSTWTLPOKCU-IBGZPJMESA-N 2 0 354.498 2.816 50 0 FFAARP Cc1cc(CN2CC[NH+](CCO)CC2)c(C)c(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000222429256 509315682 /nfs/dbraw/zinc/31/56/82/509315682.db2.gz VMCDALXNIFPPIC-GOSISDBHSA-N 2 0 359.558 2.645 50 0 FFAARP O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000020783012 527533607 /nfs/dbraw/zinc/53/36/07/527533607.db2.gz BCYQDOPPALCWEJ-QGZVFWFLSA-N 2 0 370.522 2.962 50 0 FFAARP CCc1cc(N2CCC([N@H+](C)C[C@@H]3CCOC3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095500964 536144095 /nfs/dbraw/zinc/14/40/95/536144095.db2.gz BBBGFLWFWRGGHS-KRWDZBQOSA-N 2 0 373.545 2.576 50 0 FFAARP COC[C@@H]1C[N@H+](Cc2ccc(Br)cc2)CC12CC[NH2+]CC2 ZINC000169789783 728983129 /nfs/dbraw/zinc/98/31/29/728983129.db2.gz YSCJUEIOHVBWKM-HNNXBMFYSA-N 2 0 353.304 2.897 50 0 FFAARP O=C(C[NH+]1CCCC1)NCC1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000827831750 999541324 /nfs/dbraw/zinc/54/13/24/999541324.db2.gz FLDVASOMPGLXQA-UHFFFAOYSA-N 2 0 366.509 2.659 50 0 FFAARP CCOc1c(Br)cc(C[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000010434577 204395855 /nfs/dbraw/zinc/39/58/55/204395855.db2.gz MRLMZLJGPYZJKY-UHFFFAOYSA-N 2 0 357.292 2.946 50 0 FFAARP CC(C)[NH+]1CCC(N2CC[N@H+](CCCc3ccccc3)C[C@H]2CCO)CC1 ZINC000104319993 206238470 /nfs/dbraw/zinc/23/84/70/206238470.db2.gz OFYYMUOTCCXAHG-HSZRJFAPSA-N 2 0 373.585 2.861 50 0 FFAARP Cc1cc(N2CCC([NH2+]CCc3csc(C(C)C)n3)CC2)nc(N)[nH+]1 ZINC000095357257 132207565 /nfs/dbraw/zinc/20/75/65/132207565.db2.gz AZZULPUSGWFMGG-UHFFFAOYSA-N 2 0 360.531 2.748 50 0 FFAARP Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccco4)C3)CC2)cc[nH+]1 ZINC000095378952 132209460 /nfs/dbraw/zinc/20/94/60/132209460.db2.gz XMJWIQKLKZNVJB-SFHVURJKSA-N 2 0 368.481 2.544 50 0 FFAARP CC(C)(C)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000012302788 506845481 /nfs/dbraw/zinc/84/54/81/506845481.db2.gz ACHUOHJFFTWAHC-SFHVURJKSA-N 2 0 372.557 2.920 50 0 FFAARP CC(C)(C)C[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000012448706 506866766 /nfs/dbraw/zinc/86/67/66/506866766.db2.gz QVHGYGNHAKOLNE-UHFFFAOYSA-N 2 0 372.557 2.920 50 0 FFAARP Cc1cccc2[nH]c([C@H]3CCC[N@H+](Cc4cc5n(n4)CCC[NH2+]C5)C3)nc21 ZINC000072146637 507757860 /nfs/dbraw/zinc/75/78/60/507757860.db2.gz YXDWARXMDVGMMU-INIZCTEOSA-N 2 0 364.497 2.941 50 0 FFAARP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000072242425 507772048 /nfs/dbraw/zinc/77/20/48/507772048.db2.gz ZYNXTQSJKUJTIN-IRXDYDNUSA-N 2 0 360.477 2.990 50 0 FFAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3oc4ccccc4c3C)CC[C@H]21 ZINC000072448307 507793454 /nfs/dbraw/zinc/79/34/54/507793454.db2.gz YTKXBHQPXYMACL-FUHWJXTLSA-N 2 0 355.482 2.774 50 0 FFAARP CCCN(Cc1ccc(OCC)cc1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072469654 507794440 /nfs/dbraw/zinc/79/44/40/507794440.db2.gz AFQHLIFODUEQCR-HXUWFJFHSA-N 2 0 373.541 2.898 50 0 FFAARP COc1ccc(/C=C/C[N@@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)cc1 ZINC000091676815 508001606 /nfs/dbraw/zinc/00/16/06/508001606.db2.gz GCVROJHHDYZZPO-ZDUIWUOISA-N 2 0 374.525 2.504 50 0 FFAARP CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)[C@H]1C=CC[NH2+]1 ZINC000095497708 508189600 /nfs/dbraw/zinc/18/96/00/508189600.db2.gz HPSYJKRZWFXOBS-OAQYLSRUSA-N 2 0 355.526 2.626 50 0 FFAARP Cc1cc(N2CCCN(C(=O)C3([NH+]4CCCC4)CCCC3)CC2)cc[nH+]1 ZINC000082091857 508224699 /nfs/dbraw/zinc/22/46/99/508224699.db2.gz PRTJZGVBFQTBKA-UHFFFAOYSA-N 2 0 356.514 2.837 50 0 FFAARP Clc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000242191382 509844985 /nfs/dbraw/zinc/84/49/85/509844985.db2.gz XFCFIISPYICRJF-UWVAXJGDSA-N 2 0 363.933 2.930 50 0 FFAARP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000426398953 513927417 /nfs/dbraw/zinc/92/74/17/513927417.db2.gz BCCDLMCUUQNABY-UHFFFAOYSA-N 2 0 363.505 2.673 50 0 FFAARP COc1ccc(C[NH2+]C2CC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012458346 989465359 /nfs/dbraw/zinc/46/53/59/989465359.db2.gz DHQJJFKTRVWFRD-FQEVSTJZSA-N 2 0 370.493 2.819 50 0 FFAARP Cc1n(C)c2ccccc2[n+]1CCOCC[n+]1c(C)n(C)c2ccccc21 ZINC000003129839 204079246 /nfs/dbraw/zinc/07/92/46/204079246.db2.gz LOXJFLUOQUDXIU-UHFFFAOYSA-N 2 0 364.493 2.579 50 0 FFAARP Cc1cc(N2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)c2ccccc2[nH+]1 ZINC000107015600 132240879 /nfs/dbraw/zinc/24/08/79/132240879.db2.gz QAKZXYRYTDHNSV-IBGZPJMESA-N 2 0 368.525 2.510 50 0 FFAARP Cc1ccccc1[C@H](Cn1ccnc1-c1cc2n(n1)CCC[NH2+]C2)[NH+](C)C ZINC000072422069 507787878 /nfs/dbraw/zinc/78/78/78/507787878.db2.gz UKGMXAOFYOKNOX-FQEVSTJZSA-N 2 0 364.497 2.851 50 0 FFAARP Cc1c2cccc(C)c2[nH]c1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1 ZINC000072424767 507788396 /nfs/dbraw/zinc/78/83/96/507788396.db2.gz SXFLEHBIDOKGJL-QFBILLFUSA-N 2 0 354.498 2.556 50 0 FFAARP O=C1CCC2(CC[NH2+]CC2)CN1CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000091254781 507976765 /nfs/dbraw/zinc/97/67/65/507976765.db2.gz QZTWZEDKXSTVAK-FQEVSTJZSA-N 2 0 355.526 2.858 50 0 FFAARP COc1cc(C[NH+]2CCC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000095524953 508195618 /nfs/dbraw/zinc/19/56/18/508195618.db2.gz HRHQFUJODADPBH-LJQANCHMSA-N 2 0 362.514 2.907 50 0 FFAARP CCn1cc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@H]3CO)cn1 ZINC000097713537 508228992 /nfs/dbraw/zinc/22/89/92/508228992.db2.gz VVGVLEUYLQRFPK-FQEVSTJZSA-N 2 0 372.513 2.593 50 0 FFAARP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000230217058 509435587 /nfs/dbraw/zinc/43/55/87/509435587.db2.gz BJOOBJUJSMSNNV-JPAWQOSXSA-N 2 0 374.525 2.579 50 0 FFAARP Cc1nc(NCC2([NH+]3CCOCC3)CCCCCC2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244626860 509861839 /nfs/dbraw/zinc/86/18/39/509861839.db2.gz FTYFSULXIPTDQS-IYARVYRRSA-N 2 0 373.545 2.827 50 0 FFAARP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261734085 510045707 /nfs/dbraw/zinc/04/57/07/510045707.db2.gz GAWGAYQXSXRABP-MRXNPFEDSA-N 2 0 357.502 2.706 50 0 FFAARP C[NH+](C)CCOc1ccccc1-c1cccc(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000534652323 517982292 /nfs/dbraw/zinc/98/22/92/517982292.db2.gz JSMYBMUXJITFPE-KRWDZBQOSA-N 2 0 367.493 2.715 50 0 FFAARP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnc3ccc(Cl)cn23)C[C@H](C)O1 ZINC000078868882 524590578 /nfs/dbraw/zinc/59/05/78/524590578.db2.gz AMALVYRXJSBSOG-GJZGRUSLSA-N 2 0 350.894 2.967 50 0 FFAARP CC(C)[NH+]1CCC(N2CC[N@H+](CC3CCCCC3)C[C@H]2CCO)CC1 ZINC000104634877 570860054 /nfs/dbraw/zinc/86/00/54/570860054.db2.gz BXTJUAKEPFHUAN-OAQYLSRUSA-N 2 0 351.579 2.808 50 0 FFAARP O[C@@H](COc1ccccc1C[NH+]1CCCCCC1)C[NH+]1CCSCC1 ZINC000012430858 727813757 /nfs/dbraw/zinc/81/37/57/727813757.db2.gz REZADZGHZVRWDR-LJQANCHMSA-N 2 0 364.555 2.851 50 0 FFAARP COc1cccc(C[C@@H](C)[N@H+]2CCC(=O)N(CC[NH+]3CCCCC3)CC2)c1 ZINC000011970237 987835893 /nfs/dbraw/zinc/83/58/93/987835893.db2.gz SLDDJDBYEMPTCM-LJQANCHMSA-N 2 0 373.541 2.646 50 0 FFAARP [NH3+][C@H]1CC[C@@H](n2cc(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)nn2)CC1 ZINC000952970224 1011016264 /nfs/dbraw/zinc/01/62/64/1011016264.db2.gz TZUJUNAWMFNJBY-MAEOIBBWSA-N 2 0 368.485 2.569 50 0 FFAARP Cc1ncc2c(c1-c1noc(CC[NH+]3Cc4ccccc4C3)n1)CC[NH2+]C2 ZINC000020776640 1022610064 /nfs/dbraw/zinc/61/00/64/1022610064.db2.gz SSKROILRKNTKDI-UHFFFAOYSA-N 2 0 361.449 2.644 50 0 FFAARP Cc1ccc(C2(C[N@H+](C)C[C@H]3Cc4ccccc4O3)CC[NH2+]CC2)nc1 ZINC000065410163 205348935 /nfs/dbraw/zinc/34/89/35/205348935.db2.gz VVLREIYYBILSQB-LJQANCHMSA-N 2 0 351.494 2.947 50 0 FFAARP c1ccc(C[N@@H+]2CCCO[C@H](CN3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000170616852 206275872 /nfs/dbraw/zinc/27/58/72/206275872.db2.gz TYWYNSCZJLXCTE-YADHBBJMSA-N 2 0 357.542 2.695 50 0 FFAARP CC(C)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000012210376 506836513 /nfs/dbraw/zinc/83/65/13/506836513.db2.gz SEMXFSQIUDYJFF-UHFFFAOYSA-N 2 0 367.921 2.883 50 0 FFAARP CCOC(=O)c1n[nH]cc1C[N@H+](C)CC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000012306488 506846503 /nfs/dbraw/zinc/84/65/03/506846503.db2.gz TYUGGNFLAFSYRG-UHFFFAOYSA-N 2 0 374.485 2.832 50 0 FFAARP COc1cc2c(cc1C[N@@H+]1CCCN(c3cc[nH+]c(C)c3)CC1)OCCO2 ZINC000072138955 507754861 /nfs/dbraw/zinc/75/48/61/507754861.db2.gz VLWPEURQDSQVKJ-UHFFFAOYSA-N 2 0 369.465 2.882 50 0 FFAARP O=C(C[NH+]1CCCCC1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072151316 507760633 /nfs/dbraw/zinc/76/06/33/507760633.db2.gz SJBCMFMRLBMKAA-CEMLEFRQSA-N 2 0 353.510 2.561 50 0 FFAARP C[NH+](C)C1(CN[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CCCCCC1 ZINC000072171146 507769369 /nfs/dbraw/zinc/76/93/69/507769369.db2.gz SGTKJYGCWZOIRI-RTWAWAEBSA-N 2 0 371.569 2.968 50 0 FFAARP O=C1CC[C@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@H]2N1CC1CC[NH2+]CC1 ZINC000072407992 507784746 /nfs/dbraw/zinc/78/47/46/507784746.db2.gz SYGATBZQFZKTHL-AZUAARDMSA-N 2 0 359.489 2.638 50 0 FFAARP C[N@@H+]1CC2(C[C@H]1C(=O)N1CCC3(CCc4ccccc43)CC1)CC[NH2+]CC2 ZINC000072411469 507785299 /nfs/dbraw/zinc/78/52/99/507785299.db2.gz WIXDRICRWVSIKX-FQEVSTJZSA-N 2 0 367.537 2.567 50 0 FFAARP C[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000079648711 507987123 /nfs/dbraw/zinc/98/71/23/507987123.db2.gz MZAKDZVHCBGJQV-GOSISDBHSA-N 2 0 371.529 2.531 50 0 FFAARP CCC[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000095504687 508191147 /nfs/dbraw/zinc/19/11/47/508191147.db2.gz KLFHIHHVKRVJQV-UHFFFAOYSA-N 2 0 367.921 2.885 50 0 FFAARP c1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc(OCCCC[NH+]2CCOCC2)c1 ZINC000097602154 508226628 /nfs/dbraw/zinc/22/66/28/508226628.db2.gz ZKDICLQVJFHKBR-RTWAWAEBSA-N 2 0 373.541 2.504 50 0 FFAARP C[NH+](C)CCC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077339479 508302373 /nfs/dbraw/zinc/30/23/73/508302373.db2.gz CPFPWEMKOLZWKD-JOCHJYFZSA-N 2 0 357.542 2.885 50 0 FFAARP C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(Cl)cc2OCCC[NH3+])C1 ZINC000426647925 514005154 /nfs/dbraw/zinc/00/51/54/514005154.db2.gz NBCHURPQGUGSCD-AWEZNQCLSA-N 2 0 353.894 2.529 50 0 FFAARP Cc1ccsc1[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)[NH+](C)C ZINC000534584939 517953203 /nfs/dbraw/zinc/95/32/03/517953203.db2.gz XYCBRNOIGQHPEV-QGZVFWFLSA-N 2 0 364.559 2.929 50 0 FFAARP O=C(NCC[NH+]1CCCC1)[C@@H]1OCC[N@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000675010896 971485330 /nfs/dbraw/zinc/48/53/30/971485330.db2.gz NKSJGDFSERBWNK-LEWJYISDSA-N 2 0 371.525 2.583 50 0 FFAARP Cc1nn(CCO)c(C)c1C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000952962486 1011012589 /nfs/dbraw/zinc/01/25/89/1011012589.db2.gz CBACILFRGAQQBL-UHFFFAOYSA-N 2 0 370.541 2.836 50 0 FFAARP Cc1[nH+]c(CN2CCn3nc(C[N@H+]4CCC[C@@H]4C)cc3C2)c2ccccn12 ZINC000072158938 1019832764 /nfs/dbraw/zinc/83/27/64/1019832764.db2.gz DWLMEWBXYZBFSG-INIZCTEOSA-N 2 0 364.497 2.839 50 0 FFAARP C[N@H+](CCc1ccccc1)Cc1cc2n(n1)CCC[NH+](C[C@@H]1CCOC1)C2 ZINC000072166314 1019836795 /nfs/dbraw/zinc/83/67/95/1019836795.db2.gz LTXRBEKFEVCBRE-FQEVSTJZSA-N 2 0 368.525 2.800 50 0 FFAARP CCC[NH+]1CCC([NH+]2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)CC1 ZINC000067690895 205383055 /nfs/dbraw/zinc/38/30/55/205383055.db2.gz JXSTWJLSPFNKSB-UHFFFAOYSA-N 2 0 369.513 2.614 50 0 FFAARP c1cn(-c2ccc(C[NH+]3CCCC3)cc2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072433691 205547653 /nfs/dbraw/zinc/54/76/53/205547653.db2.gz IBRUUUODFQJUBE-UHFFFAOYSA-N 2 0 362.481 2.825 50 0 FFAARP COc1ccc(OC[C@@H](O)C[NH2+]CCCn2ccnc2)c(C(C)(C)C)c1 ZINC000007985794 206214807 /nfs/dbraw/zinc/21/48/07/206214807.db2.gz UTTSAXVHNDVFIR-INIZCTEOSA-N 2 0 361.486 2.609 50 0 FFAARP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000215334754 206345328 /nfs/dbraw/zinc/34/53/28/206345328.db2.gz IPZPYGNURXGPEJ-UHFFFAOYSA-N 2 0 354.498 2.603 50 0 FFAARP Cc1nc[nH]c1C[NH2+]C1CCN(c2cc(C)[nH+]c(N3CCCCC3)n2)CC1 ZINC000095527122 132214707 /nfs/dbraw/zinc/21/47/07/132214707.db2.gz WMEBKGRMHPYZMV-UHFFFAOYSA-N 2 0 369.517 2.565 50 0 FFAARP Cc1ccc2cc(C[N@H+]3CCC[C@H]3C)c(N3CC[NH+](CCO)CC3)nc2c1 ZINC000252479825 132292156 /nfs/dbraw/zinc/29/21/56/132292156.db2.gz BNHLQGHDLDQBSL-GOSISDBHSA-N 2 0 368.525 2.642 50 0 FFAARP CC(C)(C)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012305155 506847404 /nfs/dbraw/zinc/84/74/04/506847404.db2.gz FTYIRHBFMPVUNC-IBGZPJMESA-N 2 0 372.557 2.920 50 0 FFAARP CCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071419478 507703830 /nfs/dbraw/zinc/70/38/30/507703830.db2.gz NZBYOTIEYIEXFM-FQEVSTJZSA-N 2 0 369.553 2.856 50 0 FFAARP [NH3+][C@@H]1c2ccccc2C2(CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)[C@H]1O ZINC000072167955 507768370 /nfs/dbraw/zinc/76/83/70/507768370.db2.gz ZQRWQXQVONHKRE-YADHBBJMSA-N 2 0 374.488 2.780 50 0 FFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCCc1ccccc1)CC[NH+](C)CC2 ZINC000072418489 507785998 /nfs/dbraw/zinc/78/59/98/507785998.db2.gz VSFXHWAQGVSVCE-HXUWFJFHSA-N 2 0 357.542 2.932 50 0 FFAARP Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c(F)c1 ZINC000091586753 507993843 /nfs/dbraw/zinc/99/38/43/507993843.db2.gz AUKDSCUOHHKWJZ-UHFFFAOYSA-N 2 0 361.505 2.900 50 0 FFAARP CC(=O)c1ccc(C[NH+]2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cc1 ZINC000091650536 507999912 /nfs/dbraw/zinc/99/99/12/507999912.db2.gz PUZIUEWQGVVZPQ-UHFFFAOYSA-N 2 0 371.525 2.655 50 0 FFAARP CCc1cc(N2CCC([NH2+]CC3CCOCC3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095503217 508191227 /nfs/dbraw/zinc/19/12/27/508191227.db2.gz SJQRIGIFQUMVEJ-UHFFFAOYSA-N 2 0 373.545 2.624 50 0 FFAARP COc1cc(C[NH+]2CCC(F)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095521992 508194967 /nfs/dbraw/zinc/19/49/67/508194967.db2.gz XTXHSKMQWGWOJW-SFHVURJKSA-N 2 0 368.493 2.709 50 0 FFAARP C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261645913 510011697 /nfs/dbraw/zinc/01/16/97/510011697.db2.gz CQVRAEAOAAIDIE-UHFFFAOYSA-N 2 0 357.429 2.664 50 0 FFAARP CC[N@@H+]1CCC[C@H]1CN(Cc1ccco1)CC1CC[NH+](CCOC)CC1 ZINC000020536036 521653808 /nfs/dbraw/zinc/65/38/08/521653808.db2.gz WWJMDYYGXJIAHT-FQEVSTJZSA-N 2 0 363.546 2.924 50 0 FFAARP CSCCC[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012712050 727815069 /nfs/dbraw/zinc/81/50/69/727815069.db2.gz CMSCDIIQSXQZLA-SFHVURJKSA-N 2 0 352.544 2.755 50 0 FFAARP COc1ccc(/C=C/C[N@H+]2CCC(=O)N(CC[NH+]3CCCCC3)CC2)cc1 ZINC000014983630 1021737036 /nfs/dbraw/zinc/73/70/36/1021737036.db2.gz ROJQEOXVQUZWAJ-AATRIKPKSA-N 2 0 371.525 2.729 50 0 FFAARP CC(C)(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)cc1 ZINC000095358116 1028546503 /nfs/dbraw/zinc/54/65/03/1028546503.db2.gz IFEIVXNZGNBWHU-NHCUHLMSSA-N 2 0 374.569 2.729 50 0 FFAARP CCn1cc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](CCOC)CC2)cn1 ZINC000011821162 207323162 /nfs/dbraw/zinc/32/31/62/207323162.db2.gz IORMIMXJSUWRJJ-UHFFFAOYSA-N 2 0 371.529 2.659 50 0 FFAARP Cc1ccccc1CC[NH+]1CCC(C[N@H+](C[C@H](O)CO)C2CCCC2)CC1 ZINC000012372787 207366067 /nfs/dbraw/zinc/36/60/67/207366067.db2.gz WHVZUNNICMEZHF-QHCPKHFHSA-N 2 0 374.569 2.847 50 0 FFAARP Cc1cc(N2CCC([NH2+]CCC[C@H]3CCOC3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095499855 132212130 /nfs/dbraw/zinc/21/21/30/132212130.db2.gz OCHUNMKBVNOJHK-SFHVURJKSA-N 2 0 373.545 2.760 50 0 FFAARP Cc1c(C[N@@H+]2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)cnn1C ZINC000012308826 506847149 /nfs/dbraw/zinc/84/71/49/506847149.db2.gz FRHCFWBJLSZJEV-FQEVSTJZSA-N 2 0 353.514 2.858 50 0 FFAARP CC(C)(O)CCc1ccc(C[NH+]2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC000072417884 507786032 /nfs/dbraw/zinc/78/60/32/507786032.db2.gz LLNLUQAYFXVRPW-JOCHJYFZSA-N 2 0 371.569 2.602 50 0 FFAARP C[N@@H+]1CC2(C[C@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1)CC[NH2+]CC2 ZINC000072454685 507793218 /nfs/dbraw/zinc/79/32/18/507793218.db2.gz PNIYJOKZTPBDQI-SFHVURJKSA-N 2 0 361.917 2.905 50 0 FFAARP Cn1c(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244794631 509872029 /nfs/dbraw/zinc/87/20/29/509872029.db2.gz QQSAXIUWIHTXMS-CZIWCDLHSA-N 2 0 357.477 2.761 50 0 FFAARP CC[N@@H+]1CCC[C@H]1CSc1nnc(C[NH2+]C)n1-c1cccc(OC)c1 ZINC000426422941 513936279 /nfs/dbraw/zinc/93/62/79/513936279.db2.gz NTNDMMRIFDXCGS-HNNXBMFYSA-N 2 0 361.515 2.572 50 0 FFAARP COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4cc(C)[nH+]c(N)n4)C3)C2)c1 ZINC000426495545 513959212 /nfs/dbraw/zinc/95/92/12/513959212.db2.gz AQUVNVFFWNONLK-OAQYLSRUSA-N 2 0 367.497 2.868 50 0 FFAARP COc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4cc(C)[nH+]c(N)n4)C3)C2)c1 ZINC000426495544 513959555 /nfs/dbraw/zinc/95/95/55/513959555.db2.gz AQUVNVFFWNONLK-NRFANRHFSA-N 2 0 367.497 2.868 50 0 FFAARP C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(Cl)cc2OCCC[NH3+])C1 ZINC000426647926 514005056 /nfs/dbraw/zinc/00/50/56/514005056.db2.gz NBCHURPQGUGSCD-CQSZACIVSA-N 2 0 353.894 2.529 50 0 FFAARP COCC[N@H+](C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1)C1CCOCC1 ZINC000020542448 523733116 /nfs/dbraw/zinc/73/31/16/523733116.db2.gz WUHGZBFLZGLEEF-IBGZPJMESA-N 2 0 372.553 2.993 50 0 FFAARP O=C(C[NH+]1CCCCCCC1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091650164 526740088 /nfs/dbraw/zinc/74/00/88/526740088.db2.gz SUZFCZWZZBNEQE-LEWJYISDSA-N 2 0 370.541 2.771 50 0 FFAARP Cc1ncc(C[N@@H+]2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)n1C ZINC000020601770 527258238 /nfs/dbraw/zinc/25/82/38/527258238.db2.gz YYSVUOUITRGSKN-FQEVSTJZSA-N 2 0 353.514 2.858 50 0 FFAARP COc1ccc(-n2nc(C)nc2C2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000824698904 999251110 /nfs/dbraw/zinc/25/11/10/999251110.db2.gz ANWGTPLHIJELMJ-UHFFFAOYSA-N 2 0 369.513 2.858 50 0 FFAARP Cc1ccc([C@H](C)CC[N@@H+]2CCOC3(CC[NH+](CCCO)CC3)C2)o1 ZINC000828752934 999580821 /nfs/dbraw/zinc/58/08/21/999580821.db2.gz TYMVVWTYMJVJNL-QGZVFWFLSA-N 2 0 350.503 2.631 50 0 FFAARP CCn1ncc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)c1C ZINC000019145110 1022500071 /nfs/dbraw/zinc/50/00/71/1022500071.db2.gz HDGMWWYCBSJZGA-RTWAWAEBSA-N 2 0 368.525 2.722 50 0 FFAARP Fc1cccc([C@@]2(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)CCOC2)c1 ZINC000019841403 1022546494 /nfs/dbraw/zinc/54/64/94/1022546494.db2.gz AWPNHBYZTMWJTN-OAQYLSRUSA-N 2 0 362.489 2.528 50 0 FFAARP CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1 ZINC000096160481 209127206 /nfs/dbraw/zinc/12/72/06/209127206.db2.gz ANXVCNHSAXLJKN-PMACEKPBSA-N 2 0 374.529 2.902 50 0 FFAARP CC[C@@H](C)C[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012304244 207354793 /nfs/dbraw/zinc/35/47/93/207354793.db2.gz DKKUZKSVXCEDAF-GOSISDBHSA-N 2 0 372.557 2.920 50 0 FFAARP COc1cc(C[NH2+]CCCSC)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012314566 207358216 /nfs/dbraw/zinc/35/82/16/207358216.db2.gz LXFNDNQTQYFWND-KRWDZBQOSA-N 2 0 370.559 2.618 50 0 FFAARP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012435708 207374909 /nfs/dbraw/zinc/37/49/09/207374909.db2.gz PXXSPYATIXOOMH-IBGZPJMESA-N 2 0 358.530 2.530 50 0 FFAARP O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000012435530 207375255 /nfs/dbraw/zinc/37/52/55/207375255.db2.gz LGRKOCIJXCMZRC-UHFFFAOYSA-N 2 0 370.541 2.817 50 0 FFAARP OCCC[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095511641 209068256 /nfs/dbraw/zinc/06/82/56/209068256.db2.gz CKXXCIBYPHMFLA-HSZRJFAPSA-N 2 0 372.553 2.729 50 0 FFAARP Cc1ccc(C2(C[NH+]3CCC(Oc4cccnc4)CC3)CC[NH2+]CC2)nc1 ZINC000065385409 506290166 /nfs/dbraw/zinc/29/01/66/506290166.db2.gz FVPNTARQXHYNQC-UHFFFAOYSA-N 2 0 366.509 2.950 50 0 FFAARP C[C@H]1CCCC[N@@H+]1C1CN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)C1 ZINC000067954269 507065992 /nfs/dbraw/zinc/06/59/92/507065992.db2.gz LPTILFVNRTZZBR-INIZCTEOSA-N 2 0 363.509 2.852 50 0 FFAARP CC(C)CC[N@@H+]1CCN(C2CC[NH+](Cc3ccco3)CC2)C[C@@H]1CCO ZINC000023374003 507349662 /nfs/dbraw/zinc/34/96/62/507349662.db2.gz DAWBALZFMIMGAU-FQEVSTJZSA-N 2 0 363.546 2.659 50 0 FFAARP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CNc4ccnn4C3)cc2)C1 ZINC000058308381 507403884 /nfs/dbraw/zinc/40/38/84/507403884.db2.gz PROIIPUFBOWJSV-YLJYHZDGSA-N 2 0 353.514 2.947 50 0 FFAARP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](CC3CCC3)CC2)C1 ZINC000071774695 507716611 /nfs/dbraw/zinc/71/66/11/507716611.db2.gz IIVVHUVBQMVDFE-IBGZPJMESA-N 2 0 370.541 2.674 50 0 FFAARP C[N@@H+]1CC2(C[C@@H]1C(=O)N1CCC3(CCc4ccccc43)CC1)CC[NH2+]CC2 ZINC000072411468 507785501 /nfs/dbraw/zinc/78/55/01/507785501.db2.gz WIXDRICRWVSIKX-HXUWFJFHSA-N 2 0 367.537 2.567 50 0 FFAARP Cc1nc2c(c(NCc3cccc(C[NH+]4CCCC4)c3)n1)CC[NH2+]CC2 ZINC000072478074 507796961 /nfs/dbraw/zinc/79/69/61/507796961.db2.gz KPEQGQCSYZEXFW-UHFFFAOYSA-N 2 0 351.498 2.681 50 0 FFAARP CCc1ccc(C[NH+]2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)nc1 ZINC000091505775 507990388 /nfs/dbraw/zinc/99/03/88/507990388.db2.gz NXPNYADTCULBFV-HXUWFJFHSA-N 2 0 370.541 2.553 50 0 FFAARP C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC[NH+](C2Cc3ccccc3C2)CC1 ZINC000091604271 507995740 /nfs/dbraw/zinc/99/57/40/507995740.db2.gz NOGMCNKMRKIIGV-NRFANRHFSA-N 2 0 355.526 2.563 50 0 FFAARP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC000237623065 509694461 /nfs/dbraw/zinc/69/44/61/509694461.db2.gz KPEGKQMEQPOXLY-CALCHBBNSA-N 2 0 367.493 2.685 50 0 FFAARP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccco1)CC1CC[NH+](CCOC)CC1 ZINC000020536034 521633441 /nfs/dbraw/zinc/63/34/41/521633441.db2.gz WWJMDYYGXJIAHT-HXUWFJFHSA-N 2 0 363.546 2.924 50 0 FFAARP [NH3+]Cc1cn(C[C@@H]2CCC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)nn1 ZINC000023369011 969273600 /nfs/dbraw/zinc/27/36/00/969273600.db2.gz PMFSAGLZRBXHDI-GOSISDBHSA-N 2 0 362.481 2.711 50 0 FFAARP CN(CC[NH+]1CCCCCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000019741401 970475383 /nfs/dbraw/zinc/47/53/83/970475383.db2.gz LGWRONXHAOKQIM-RTWAWAEBSA-N 2 0 357.542 2.531 50 0 FFAARP O[C@H]1C[N@H+](Cc2cc(C[NH+]3CCCC3)cs2)C[C@H]1Cc1ccncc1 ZINC001529173855 1062202311 /nfs/dbraw/zinc/20/23/11/1062202311.db2.gz QORYBYJAMNQDSI-QUCCMNQESA-N 2 0 357.523 2.774 50 0 FFAARP Cc1cccc(CCNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000011821990 207324045 /nfs/dbraw/zinc/32/40/45/207324045.db2.gz BNZXHLGEQLBRJQ-LJQANCHMSA-N 2 0 372.557 2.634 50 0 FFAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]C2CCCC2)ccc1OC ZINC000012716230 207411988 /nfs/dbraw/zinc/41/19/88/207411988.db2.gz FNCPDXRXDUYFGD-GOSISDBHSA-N 2 0 350.503 2.809 50 0 FFAARP Cc1cc(N2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH+](C)C)c2ccccc2[nH+]1 ZINC000091426796 132201814 /nfs/dbraw/zinc/20/18/14/132201814.db2.gz KNTDCWAXNZOUDV-RTWAWAEBSA-N 2 0 369.509 2.841 50 0 FFAARP [NH3+]Cc1cn(C[C@H]2CCC[N@H+](C/C=C/C=C/c3ccc(F)cc3)C2)nn1 ZINC000023581052 507360104 /nfs/dbraw/zinc/36/01/04/507360104.db2.gz MGJITHODMKRYGR-QLHIAVGWSA-N 2 0 355.461 2.858 50 0 FFAARP Cc1cccc2[nH]c([C@@H]3CCC[N@H+](Cc4cc5n(n4)CCC[NH2+]C5)C3)nc21 ZINC000072146636 507758069 /nfs/dbraw/zinc/75/80/69/507758069.db2.gz YXDWARXMDVGMMU-MRXNPFEDSA-N 2 0 364.497 2.941 50 0 FFAARP C[NH+](C)CCNc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072470038 507794547 /nfs/dbraw/zinc/79/45/47/507794547.db2.gz HNWIDLTUXBEGQN-UHFFFAOYSA-N 2 0 359.905 2.773 50 0 FFAARP Nc1nc(NCC[NH+]2CCC(c3ccccc3)CC2)cc(C2CC([NH3+])C2)n1 ZINC000222877861 509323739 /nfs/dbraw/zinc/32/37/39/509323739.db2.gz FRESBEXHGQIXTR-UHFFFAOYSA-N 2 0 366.513 2.555 50 0 FFAARP CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccccc3OCC[NH+](C)C)[C@H]2C1 ZINC000426402121 513928310 /nfs/dbraw/zinc/92/83/10/513928310.db2.gz WCPSCPROCCUYCI-HLAWJBBLSA-N 2 0 362.514 2.785 50 0 FFAARP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)s1 ZINC000020599201 524456999 /nfs/dbraw/zinc/45/69/99/524456999.db2.gz GWSQOJLOHIMNHA-IBGZPJMESA-N 2 0 365.587 2.798 50 0 FFAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3cccs3)C2)CC1 ZINC000011998623 727813105 /nfs/dbraw/zinc/81/31/05/727813105.db2.gz QNTRBBROEOHCOX-KRWDZBQOSA-N 2 0 363.571 2.992 50 0 FFAARP CCCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)o1 ZINC000092022589 209010658 /nfs/dbraw/zinc/01/06/58/209010658.db2.gz FUACYDDJIGKAMT-OAQYLSRUSA-N 2 0 361.530 2.998 50 0 FFAARP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccccc2N2CCOCC2)C[C@H](C)O1 ZINC000066990491 132305728 /nfs/dbraw/zinc/30/57/28/132305728.db2.gz QDGPOTIPWBFZRA-OALUTQOASA-N 2 0 361.530 2.502 50 0 FFAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCOc3ccccc3)C2)CC1 ZINC000014957889 507007902 /nfs/dbraw/zinc/00/79/02/507007902.db2.gz KJHXBBSDCFPZFQ-LJQANCHMSA-N 2 0 373.541 2.766 50 0 FFAARP COc1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cc1Cn1cccn1 ZINC000072161083 507765355 /nfs/dbraw/zinc/76/53/55/507765355.db2.gz MYLVAUOAJGBIID-UHFFFAOYSA-N 2 0 354.498 2.906 50 0 FFAARP O=C(NCCC12CCC[NH+]1CCC2)c1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000072173699 507770277 /nfs/dbraw/zinc/77/02/77/507770277.db2.gz YADARAWGPOTJLI-IBGZPJMESA-N 2 0 355.526 2.977 50 0 FFAARP C[C@@H](O)c1cn(C2CC[NH+](CC(C)(C)C[NH+]3CCCCCC3)CC2)nn1 ZINC000063848377 507775821 /nfs/dbraw/zinc/77/58/21/507775821.db2.gz JFOJWEZGYIZTED-QGZVFWFLSA-N 2 0 363.550 2.871 50 0 FFAARP Cc1ccccc1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)C[C@H]1CCO ZINC000104351382 508332644 /nfs/dbraw/zinc/33/26/44/508332644.db2.gz AOENMNDFDSCWFZ-JOCHJYFZSA-N 2 0 359.558 2.736 50 0 FFAARP Cc1cc(C)c(C[N@@H+]2CCCCC[C@@H]2CO)cc1CN1CC[NH+](C)CC1 ZINC000215495390 509248893 /nfs/dbraw/zinc/24/88/93/509248893.db2.gz ZBUNHYOOLRLUBL-JOCHJYFZSA-N 2 0 359.558 2.788 50 0 FFAARP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000252485883 509839673 /nfs/dbraw/zinc/83/96/73/509839673.db2.gz BJOOBJUJSMSNNV-JZJXAQOMSA-N 2 0 374.525 2.579 50 0 FFAARP Cc1c[nH+]ccc1N1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000584899973 518529378 /nfs/dbraw/zinc/52/93/78/518529378.db2.gz NCALFBIIOMQBBD-UHFFFAOYSA-N 2 0 371.529 2.629 50 0 FFAARP Cc1csc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000012702574 727814939 /nfs/dbraw/zinc/81/49/39/727814939.db2.gz DEQZTABFUSGLBT-MRXNPFEDSA-N 2 0 364.559 2.653 50 0 FFAARP CCn1cc(C[NH+]2CCC3(C[N@H+](Cc4ccccc4)C[C@@H]3CO)CC2)cn1 ZINC000169791325 984969052 /nfs/dbraw/zinc/96/90/52/984969052.db2.gz WLAXRVTYHFCBGZ-OAQYLSRUSA-N 2 0 368.525 2.610 50 0 FFAARP CCCCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000097162667 209172884 /nfs/dbraw/zinc/17/28/84/209172884.db2.gz PSFQIOVHGFIIGB-FPOVZHCZSA-N 2 0 373.541 2.946 50 0 FFAARP Cc1[nH]c2ccccc2c1CC[NH2+]C1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000095371417 132208715 /nfs/dbraw/zinc/20/87/15/132208715.db2.gz YSSARHYZQJGMIO-UHFFFAOYSA-N 2 0 364.497 2.958 50 0 FFAARP Cc1ccc(C2(C[N@@H+]3CCNC[C@@H]3c3ccccc3)CC[NH2+]CC2)nc1 ZINC000065386988 506293508 /nfs/dbraw/zinc/29/35/08/506293508.db2.gz SXGLTORREHCLIQ-HXUWFJFHSA-N 2 0 350.510 2.658 50 0 FFAARP CC(C)[NH+]1CCC([N@@H+]2CC[C@H](C3CCN(c4ncccn4)CC3)C2)CC1 ZINC000012301307 506844693 /nfs/dbraw/zinc/84/46/93/506844693.db2.gz DGOZREMHTSQXDZ-IBGZPJMESA-N 2 0 357.546 2.888 50 0 FFAARP CC(C)CCOc1cccc(CCNC(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)c1 ZINC000072124184 507751357 /nfs/dbraw/zinc/75/13/57/507751357.db2.gz WLVZOPAEECJZDT-HXUWFJFHSA-N 2 0 373.541 2.502 50 0 FFAARP COc1ccc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)cc1 ZINC000091707792 508004510 /nfs/dbraw/zinc/00/45/10/508004510.db2.gz XCICATBMCQUHRB-IBGZPJMESA-N 2 0 371.525 2.604 50 0 FFAARP CC(C)[NH+]1CCC(N2CCN(Cc3cccc(F)c3)C[C@H]2CCO)CC1 ZINC000104505909 508336898 /nfs/dbraw/zinc/33/68/98/508336898.db2.gz GXVUKRBRJUXEGA-OAQYLSRUSA-N 2 0 363.521 2.567 50 0 FFAARP Cc1cc(C)c(C[NH+]2CCC(C)CC2)cc1CN1CC[NH+](CCO)CC1 ZINC000219307965 509287654 /nfs/dbraw/zinc/28/76/54/509287654.db2.gz XIJRHYPQDFKGGV-UHFFFAOYSA-N 2 0 359.558 2.645 50 0 FFAARP OCC1(C[NH+]2CCCC2)CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000219987996 509293283 /nfs/dbraw/zinc/29/32/83/509293283.db2.gz CCXZUSUVXHFENV-UHFFFAOYSA-N 2 0 354.498 2.543 50 0 FFAARP Cn1ncc2c1ncnc2SC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000170617577 509680938 /nfs/dbraw/zinc/68/09/38/509680938.db2.gz AINURXQSXALHPL-MRXNPFEDSA-N 2 0 369.494 2.747 50 0 FFAARP COCC[NH+]1CCC2(CC1)C[N@@H+](C1CCOCC1)Cc1ccccc1O2 ZINC000257195701 509955569 /nfs/dbraw/zinc/95/55/69/509955569.db2.gz WRPOVERHJJAZHY-UHFFFAOYSA-N 2 0 360.498 2.541 50 0 FFAARP COc1cc(C[N@@H+]2CCCC[C@H]2CO)ccc1OCC[NH+]1CCCCC1 ZINC000216363612 522373512 /nfs/dbraw/zinc/37/35/12/522373512.db2.gz UTDHDBROPQRVBN-IBGZPJMESA-N 2 0 362.514 2.907 50 0 FFAARP COc1cccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1OCC[NH+](C)C ZINC000215569663 568077395 /nfs/dbraw/zinc/07/73/95/568077395.db2.gz IZDKFXKKOLFBIF-LJQANCHMSA-N 2 0 361.530 2.696 50 0 FFAARP CNc1nc(N2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cc(C)[nH+]1 ZINC000426571605 571130523 /nfs/dbraw/zinc/13/05/23/571130523.db2.gz NLQRALYZCHTLIU-QFIPXVFZSA-N 2 0 365.525 3.362 50 0 FFAARP CCC[C@@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)c(OCC)c1)N(C)C ZINC000952871877 1011003772 /nfs/dbraw/zinc/00/37/72/1011003772.db2.gz DEAUCJIXGIFGQZ-SFHVURJKSA-N 2 0 351.535 2.846 50 0 FFAARP Cc1nc2c(c(NC3CC[NH+](Cc4ccccc4)CC3)n1)CC[NH2+]CC2 ZINC000072428927 1019894100 /nfs/dbraw/zinc/89/41/00/1019894100.db2.gz GXGCLTUMXFPDAF-UHFFFAOYSA-N 2 0 351.498 2.550 50 0 FFAARP O=C1CC[C@@H]([NH2+]C2CC[NH+](C3CCSCC3)CC2)CCN1CC1CC1 ZINC001506423358 1059511123 /nfs/dbraw/zinc/51/11/23/1059511123.db2.gz WFPOVLRSOHVMDY-QGZVFWFLSA-N 2 0 365.587 2.727 50 0 FFAARP Cc1ccccc1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039543610 208210572 /nfs/dbraw/zinc/21/05/72/208210572.db2.gz DTYQVTCVSUIALQ-JOCHJYFZSA-N 2 0 359.558 2.736 50 0 FFAARP CC1(C)CC(N2CC(=O)N(C3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC(C)(C)[NH2+]1 ZINC000004872653 506402631 /nfs/dbraw/zinc/40/26/31/506402631.db2.gz KHPROHXRPXNDEQ-UHFFFAOYSA-N 2 0 364.578 2.707 50 0 FFAARP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000072242424 507771442 /nfs/dbraw/zinc/77/14/42/507771442.db2.gz ZYNXTQSJKUJTIN-CALCHBBNSA-N 2 0 360.477 2.990 50 0 FFAARP C[C@H](C1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1)[NH+]1CCOCC1 ZINC000072469751 507794499 /nfs/dbraw/zinc/79/44/99/507794499.db2.gz JYUPLOCUGNUPCO-GOSISDBHSA-N 2 0 354.498 2.805 50 0 FFAARP COc1ccccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420642 507894162 /nfs/dbraw/zinc/89/41/62/507894162.db2.gz ZQHHZCSOACVFMB-HXUWFJFHSA-N 2 0 367.493 2.682 50 0 FFAARP CN(C)Cc1nnc(C2CC[NH+](Cc3ccc4ccn(C)c4c3)CC2)n1C ZINC000077488002 508322978 /nfs/dbraw/zinc/32/29/78/508322978.db2.gz UHPFWSRPGFXGOJ-UHFFFAOYSA-N 2 0 366.513 2.748 50 0 FFAARP C[C@H](c1cccc(-c2cc(N3CC[NH+](C)CC3)nc(N)n2)c1)[NH+]1CCCC1 ZINC000216470563 526070811 /nfs/dbraw/zinc/07/08/11/526070811.db2.gz AIDSHVXCJYFIHV-MRXNPFEDSA-N 2 0 366.513 2.634 50 0 FFAARP OCC1CC[NH+]([C@H]2CCCN(C3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000022892767 966159971 /nfs/dbraw/zinc/15/99/71/966159971.db2.gz JHODOHAATQFPRE-QHCPKHFHSA-N 2 0 371.569 2.820 50 0 FFAARP OC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH+](Cc1ccccn1)CC2 ZINC000169750487 984951641 /nfs/dbraw/zinc/95/16/41/984951641.db2.gz YHJLXDSJFBHGPS-HXUWFJFHSA-N 2 0 351.494 2.788 50 0 FFAARP COc1ccc(C[NH2+]C2CC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012458347 989465065 /nfs/dbraw/zinc/46/50/65/989465065.db2.gz DHQJJFKTRVWFRD-HXUWFJFHSA-N 2 0 370.493 2.819 50 0 FFAARP CN(c1ccccc1)c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000097527195 209184521 /nfs/dbraw/zinc/18/45/21/209184521.db2.gz DLGOABFZEVGYRW-QFIPXVFZSA-N 2 0 350.510 2.934 50 0 FFAARP CC(C)(C)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000012302786 207355479 /nfs/dbraw/zinc/35/54/79/207355479.db2.gz ACHUOHJFFTWAHC-GOSISDBHSA-N 2 0 372.557 2.920 50 0 FFAARP COc1ccc2ccccc2c1C[NH+]1CCC2(CC1)[C@H](O)C[C@@H]2OCC[NH3+] ZINC000092061782 209014607 /nfs/dbraw/zinc/01/46/07/209014607.db2.gz GBFCGQOANSEAQF-RTWAWAEBSA-N 2 0 370.493 2.539 50 0 FFAARP CC1CC[NH+](Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)CC1 ZINC000095496634 209059576 /nfs/dbraw/zinc/05/95/76/209059576.db2.gz ZWEBHFHAEMHNNN-IBGZPJMESA-N 2 0 364.555 2.707 50 0 FFAARP COc1cc(C[NH+](C)C)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000095506259 209065548 /nfs/dbraw/zinc/06/55/48/209065548.db2.gz DNECSQJRIOIPDS-GOSISDBHSA-N 2 0 350.503 2.763 50 0 FFAARP COc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(OC)c1C ZINC000002893923 506299985 /nfs/dbraw/zinc/29/99/85/506299985.db2.gz GUKBEPQJNODUHU-UHFFFAOYSA-N 2 0 351.535 2.718 50 0 FFAARP Cc1c[nH+]ccc1N1CCC[N@H+](CCC(=O)NCc2cccs2)CC1 ZINC000065526144 506316388 /nfs/dbraw/zinc/31/63/88/506316388.db2.gz LPRAVNUHVOIEFG-UHFFFAOYSA-N 2 0 358.511 2.670 50 0 FFAARP COCC(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000015074527 507018595 /nfs/dbraw/zinc/01/85/95/507018595.db2.gz CRSQRZYCYKJVQU-IBGZPJMESA-N 2 0 365.562 2.602 50 0 FFAARP Cc1nc(NCC[N@@H+]2CCc3ccccc3C2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000067907962 507048626 /nfs/dbraw/zinc/04/86/26/507048626.db2.gz XIRHIIOYMCUUJE-SFHVURJKSA-N 2 0 351.498 2.722 50 0 FFAARP O=C(COc1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cc1)N1CCCC1 ZINC000072165883 507767896 /nfs/dbraw/zinc/76/78/96/507767896.db2.gz PBAAHMHAMKLGMR-UHFFFAOYSA-N 2 0 371.525 2.653 50 0 FFAARP C[C@@H](C1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1)[NH+]1CCOCC1 ZINC000072469749 507794909 /nfs/dbraw/zinc/79/49/09/507794909.db2.gz JYUPLOCUGNUPCO-SFHVURJKSA-N 2 0 354.498 2.805 50 0 FFAARP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cccc(C(N)=O)c2)C[C@@H](C)O1 ZINC000237412716 509642249 /nfs/dbraw/zinc/64/22/49/509642249.db2.gz KPEGKQMEQPOXLY-IAGOWNOFSA-N 2 0 367.493 2.685 50 0 FFAARP Clc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000242191383 509845350 /nfs/dbraw/zinc/84/53/50/509845350.db2.gz XFCFIISPYICRJF-ZWOKBUDYSA-N 2 0 363.933 2.930 50 0 FFAARP [NH3+][C@H]1C[C@H](c2cc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)ncn2)C1 ZINC000252532820 509849546 /nfs/dbraw/zinc/84/95/46/509849546.db2.gz FGXGQYDYSLUYJM-SAABIXHNSA-N 2 0 355.461 2.533 50 0 FFAARP C[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](Cc4ccc(F)cc4)CC[C@H]32)CC1 ZINC000299802814 511685970 /nfs/dbraw/zinc/68/59/70/511685970.db2.gz WTJOIIUXGBMKNQ-TZIWHRDSSA-N 2 0 373.516 2.980 50 0 FFAARP COCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(OC)ccc3ccc(OC)cc32)C1 ZINC000952973666 1011017182 /nfs/dbraw/zinc/01/71/82/1011017182.db2.gz HUSLVMSGDIVYST-INIZCTEOSA-N 2 0 358.482 2.915 50 0 FFAARP Cc1noc(C)c1C[NH+]1CCC2(CC1)CC[N@H+](Cc1ccoc1)C[C@H]2CO ZINC000097681970 209192364 /nfs/dbraw/zinc/19/23/64/209192364.db2.gz KPSFSIFBYQLSHV-IBGZPJMESA-N 2 0 373.497 2.981 50 0 FFAARP COc1ccc(OC[C@H](O)C[NH+](C)C)c(C[NH2+]C2CCCCCC2)c1 ZINC000012000037 207333042 /nfs/dbraw/zinc/33/30/42/207333042.db2.gz BSVVEPKSAWEVLG-GOSISDBHSA-N 2 0 350.503 2.809 50 0 FFAARP c1nnc(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)n1CCc1ccccc1 ZINC000067851431 507026839 /nfs/dbraw/zinc/02/68/39/507026839.db2.gz HJQFVENBDJXPMP-UHFFFAOYSA-N 2 0 353.514 2.923 50 0 FFAARP Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccccc2[C@H]2CC[NH2+]C2)CC1 ZINC000072157843 507764260 /nfs/dbraw/zinc/76/42/60/507764260.db2.gz VQDJNOLJDCETTE-SFHVURJKSA-N 2 0 364.493 2.819 50 0 FFAARP C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCC[NH+](C2Cc3ccccc3C2)CC1 ZINC000091604266 507995879 /nfs/dbraw/zinc/99/58/79/507995879.db2.gz NOGMCNKMRKIIGV-OAQYLSRUSA-N 2 0 355.526 2.563 50 0 FFAARP Cc1ccccc1-n1cc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)cn1 ZINC000215077588 509244772 /nfs/dbraw/zinc/24/47/72/509244772.db2.gz HTBKNEGSCPSRGN-UHFFFAOYSA-N 2 0 367.541 2.640 50 0 FFAARP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000216074012 509256278 /nfs/dbraw/zinc/25/62/78/509256278.db2.gz GZUGFCQEBJOBMZ-IBGZPJMESA-N 2 0 367.541 2.845 50 0 FFAARP CC(C)C[N@@H+]1CC[C@@H](c2nnc3n2CC[NH+](Cc2ccccc2)CC3)C1 ZINC000257194190 509953873 /nfs/dbraw/zinc/95/38/73/509953873.db2.gz STGXBNUMOLSBER-LJQANCHMSA-N 2 0 353.514 2.782 50 0 FFAARP Cc1ccc(C[NH+]2CCC3(C[C@H](C(=O)N4CCCC4)[N@H+](C)C3)CC2)s1 ZINC000675011333 971490129 /nfs/dbraw/zinc/49/01/29/971490129.db2.gz SLAXVLPZVGGKPY-GOSISDBHSA-N 2 0 361.555 2.965 50 0 FFAARP COCC[N@H+](C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1)CC(C)(C)CO ZINC000012704171 1014920292 /nfs/dbraw/zinc/92/02/92/1014920292.db2.gz HKNWSSTUKMGZKR-IBGZPJMESA-N 2 0 374.569 2.833 50 0 FFAARP Cc1nn(C)c2ncc(C[N@H+](C)Cc3cccc(OCC[NH+](C)C)c3)cc12 ZINC000952846149 1010976614 /nfs/dbraw/zinc/97/66/14/1010976614.db2.gz KACKGAVZVJXDGW-UHFFFAOYSA-N 2 0 367.497 2.849 50 0 FFAARP Cc1nc2c(c(NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)n1)CC[NH2+]C2 ZINC000067785600 221284515 /nfs/dbraw/zinc/28/45/15/221284515.db2.gz PJNQPVKZNHNYDI-GOSISDBHSA-N 2 0 351.498 2.755 50 0 FFAARP Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072167341 221443600 /nfs/dbraw/zinc/44/36/00/221443600.db2.gz JSRYUAHOWSDNGJ-OAHLLOKOSA-N 2 0 356.297 2.650 50 0 FFAARP Clc1ccccc1C1(c2ccnc(NC3CC[NH2+]CC3)n2)CC[NH2+]CC1 ZINC000072475920 221549232 /nfs/dbraw/zinc/54/92/32/221549232.db2.gz BUTRUBDVQYWFIY-UHFFFAOYSA-N 2 0 371.916 2.963 50 0 FFAARP [NH3+]CCCCCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072161048 507765145 /nfs/dbraw/zinc/76/51/45/507765145.db2.gz HRAJYQCPNQWQSE-CEWLAPEOSA-N 2 0 359.489 2.733 50 0 FFAARP CC(C)[NH+]1CCC(C[NH+]2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)CC1 ZINC000072162740 507765208 /nfs/dbraw/zinc/76/52/08/507765208.db2.gz DYCLOPXCDUSSSK-RTWAWAEBSA-N 3 0 357.542 2.515 50 0 FFAARP CCCC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](CCC(=O)OCC)CC1 ZINC000095462803 508186955 /nfs/dbraw/zinc/18/69/55/508186955.db2.gz HYKHNLPIWZFRJS-LJQANCHMSA-N 2 0 353.551 2.648 50 0 FFAARP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](Cc2ccco2)C1 ZINC000095498493 508189873 /nfs/dbraw/zinc/18/98/73/508189873.db2.gz ITXMSCXQRCIRBS-HXUWFJFHSA-N 2 0 367.493 2.666 50 0 FFAARP OCC[NH+]1CCC([C@@H]2c3nccn3CCC[N@H+]2Cc2ccccc2)CC1 ZINC000257188223 509950748 /nfs/dbraw/zinc/95/07/48/509950748.db2.gz DRIVANZXXBTJNM-HXUWFJFHSA-N 2 0 354.498 2.534 50 0 FFAARP Cc1ccsc1[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)[NH+](C)C ZINC000534584938 517951800 /nfs/dbraw/zinc/95/18/00/517951800.db2.gz XYCBRNOIGQHPEV-KRWDZBQOSA-N 2 0 364.559 2.929 50 0 FFAARP CC(C)n1ncc2cc(C[NH2+]CCCC[NH+]3CCOCC3)c(Cl)nc21 ZINC000048260479 570938517 /nfs/dbraw/zinc/93/85/17/570938517.db2.gz UARZTPCIONGENS-UHFFFAOYSA-N 2 0 365.909 2.868 50 0 FFAARP c1sc(-c2cnccn2)nc1CC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000063833289 728138544 /nfs/dbraw/zinc/13/85/44/728138544.db2.gz MIRNVBRYRFEJRK-MAUKXSAKSA-N 2 0 357.527 2.997 50 0 FFAARP OC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH+](Cc1cccnc1)CC2 ZINC000169791323 984968601 /nfs/dbraw/zinc/96/86/01/984968601.db2.gz BUKNZMZWZOHSSN-NRFANRHFSA-N 2 0 351.494 2.788 50 0 FFAARP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C1([NH+]2CCCC2)CCCC1 ZINC000827661166 999519153 /nfs/dbraw/zinc/51/91/53/999519153.db2.gz JCLBEFULVFOTSL-UHFFFAOYSA-N 2 0 356.514 2.571 50 0 FFAARP O[C@H]1[C@H]([NH2+]CCOc2ccccc2F)c2ccccc2C12CC[NH2+]CC2 ZINC000072156082 1019834388 /nfs/dbraw/zinc/83/43/88/1019834388.db2.gz OTLVZTWGWVJMPK-UXHICEINSA-N 2 0 356.441 2.531 50 0 FFAARP Cc1cc(C[C@@H]2C[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C[C@@H]2O)on1 ZINC001529138911 1062184165 /nfs/dbraw/zinc/18/41/65/1062184165.db2.gz KFHWIODGFMLTSL-APWZRJJASA-N 2 0 361.511 2.676 50 0 FFAARP O[C@@]1(C[NH+]2CCC(Cc3noc(C4CC4)n3)CC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063848520 212033477 /nfs/dbraw/zinc/03/34/77/212033477.db2.gz VDYCVMFHEDSDTD-WIYYLYMNSA-N 2 0 374.529 2.581 50 0 FFAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC(CCCc2ccccc2)CC1 ZINC000072156049 221434460 /nfs/dbraw/zinc/43/44/60/221434460.db2.gz KUUONBOOOVKTSP-NRFANRHFSA-N 2 0 369.553 2.980 50 0 FFAARP CC(=O)N(CCC[NH+](C)C)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000096165282 222064881 /nfs/dbraw/zinc/06/48/81/222064881.db2.gz CZZZVOUAYSHBLX-UHFFFAOYSA-N 2 0 357.542 2.666 50 0 FFAARP OC[C@H]1C[N@H+](Cc2cnc[nH]2)CCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000097553317 222190861 /nfs/dbraw/zinc/19/08/61/222190861.db2.gz FOAYRJTVPQFUGG-GOSISDBHSA-N 2 0 372.488 2.645 50 0 FFAARP CC(C)[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000058055592 507368769 /nfs/dbraw/zinc/36/87/69/507368769.db2.gz GYTPJOGYJGCBFB-UHFFFAOYSA-N 2 0 370.541 2.574 50 0 FFAARP CC(C)CN(C/C=C/c1ccccc1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072157907 507763989 /nfs/dbraw/zinc/76/39/89/507763989.db2.gz AKIGRIAEAVZAEQ-AQDCRGGLSA-N 2 0 355.526 2.916 50 0 FFAARP COc1ccccc1CC[NH2+][C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072162371 507765319 /nfs/dbraw/zinc/76/53/19/507765319.db2.gz IHTSYHXFZUSRFN-RTWAWAEBSA-N 2 0 352.478 2.564 50 0 FFAARP Cc1c2ccccc2oc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1 ZINC000072410754 507785761 /nfs/dbraw/zinc/78/57/61/507785761.db2.gz ARTPSMILLVBCOH-FUHWJXTLSA-N 2 0 355.482 2.903 50 0 FFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCOc1ccccc1C)CC[NH+](C)CC2 ZINC000072431609 507790671 /nfs/dbraw/zinc/79/06/71/507790671.db2.gz IAFQVWDLIPATBP-LJQANCHMSA-N 2 0 373.541 2.686 50 0 FFAARP Cc1nc2ccccc2nc1C[NH+]1CCC([C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000077387864 508308666 /nfs/dbraw/zinc/30/86/66/508308666.db2.gz XHDGHIXTFQZMSC-SFHVURJKSA-N 2 0 367.541 2.786 50 0 FFAARP CN1CC[N@H+](Cc2cccc(OCCCC[NH+]3CCCCC3)c2)CCC1=O ZINC000215459504 509248658 /nfs/dbraw/zinc/24/86/58/509248658.db2.gz AFMMJYVWEUIGAK-UHFFFAOYSA-N 2 0 373.541 2.996 50 0 FFAARP Cc1c[nH+]ccc1N1CCCN(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000584893723 518525941 /nfs/dbraw/zinc/52/59/41/518525941.db2.gz AJBYXWDPOZZJAK-SFHVURJKSA-N 2 0 373.545 2.734 50 0 FFAARP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnc3ccc(Cl)cn23)C[C@H](C)O1 ZINC000078868880 524941661 /nfs/dbraw/zinc/94/16/61/524941661.db2.gz AMALVYRXJSBSOG-GASCZTMLSA-N 2 0 350.894 2.967 50 0 FFAARP CN(CC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCN(c3ccccc3F)CC2)C1 ZINC000023478383 535854829 /nfs/dbraw/zinc/85/48/29/535854829.db2.gz WIYOCAKOTMEWPQ-LJQANCHMSA-N 2 0 362.537 2.752 50 0 FFAARP CN1c2ccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cc2CCC1=O ZINC000187047587 990767057 /nfs/dbraw/zinc/76/70/57/990767057.db2.gz HOEYQWOUXSGEPW-UHFFFAOYSA-N 2 0 371.525 2.672 50 0 FFAARP CC(C)n1cc(C[N@H+](C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)cn1 ZINC000023543099 211391888 /nfs/dbraw/zinc/39/18/88/211391888.db2.gz LGSBABYSVWYZOA-UXHICEINSA-N 2 0 354.498 2.633 50 0 FFAARP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000007346263 506555153 /nfs/dbraw/zinc/55/51/53/506555153.db2.gz SLCWQNRLCOQURR-HDICACEKSA-N 2 0 358.530 2.745 50 0 FFAARP Cc1ccccc1CC[NH+]1CCC(C[N@H+](C[C@@H](O)CO)C2CCCC2)CC1 ZINC000012372786 506855625 /nfs/dbraw/zinc/85/56/25/506855625.db2.gz WHVZUNNICMEZHF-HSZRJFAPSA-N 2 0 374.569 2.847 50 0 FFAARP CC[NH+]1CCC(N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000019867454 507202849 /nfs/dbraw/zinc/20/28/49/507202849.db2.gz VVYQVRDLKQKOFZ-JOCHJYFZSA-N 2 0 374.548 2.896 50 0 FFAARP O[C@H](COc1ccc(C[NH+]2CCC(F)CC2)cc1)C[NH+]1CCCCC1 ZINC000095508539 508192796 /nfs/dbraw/zinc/19/27/96/508192796.db2.gz JKOXKIAUGIXKQJ-IBGZPJMESA-N 2 0 350.478 2.846 50 0 FFAARP CCc1cc(N2CCC([NH2+]CCc3ccc(O)cc3)CC2)nc(N(C)C)[nH+]1 ZINC000095518707 508194215 /nfs/dbraw/zinc/19/42/15/508194215.db2.gz STOOUIGFFCNMEX-UHFFFAOYSA-N 2 0 369.513 2.612 50 0 FFAARP c1cc(C[NH+]2CCSCC2)cc(OCCCC[NH+]2CCOCC2)c1 ZINC000215317971 509246663 /nfs/dbraw/zinc/24/66/63/509246663.db2.gz BYKUDDCUCDNXHI-UHFFFAOYSA-N 2 0 350.528 2.727 50 0 FFAARP C[C@H]1C[NH+](CCCC[NH2+]Cc2c(Cl)nc3ccccn32)C[C@H](C)O1 ZINC000237608116 509688653 /nfs/dbraw/zinc/68/86/53/509688653.db2.gz NAYRYFUOPYNRMS-GJZGRUSLSA-N 2 0 350.894 2.967 50 0 FFAARP CC1(C)CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1C(F)(F)F ZINC000252503672 509846011 /nfs/dbraw/zinc/84/60/11/509846011.db2.gz VFMNFXOMACHJRD-HNNXBMFYSA-N 2 0 361.452 2.640 50 0 FFAARP O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000426444866 513942571 /nfs/dbraw/zinc/94/25/71/513942571.db2.gz DCFPSZLWQAZTEV-HXUWFJFHSA-N 2 0 370.541 2.999 50 0 FFAARP OCCn1ccc([C@@H]2CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)n1 ZINC000426504399 513962614 /nfs/dbraw/zinc/96/26/14/513962614.db2.gz BELHUBMXPJEKIP-GOSISDBHSA-N 2 0 374.554 2.912 50 0 FFAARP Cc1ccc(N2CCC([NH2+]Cc3cc4n(n3)CC[NH2+]C4)CC2)cc1Cl ZINC000082160714 524941519 /nfs/dbraw/zinc/94/15/19/524941519.db2.gz CPMPBZDPOQRAKJ-UHFFFAOYSA-N 2 0 359.905 2.707 50 0 FFAARP Cc1cc(NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)nc(N(C)C)[nH+]1 ZINC000082098260 525276968 /nfs/dbraw/zinc/27/69/68/525276968.db2.gz KOIRGHHFSIQBCX-UHFFFAOYSA-N 2 0 357.506 2.521 50 0 FFAARP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000082091535 526461723 /nfs/dbraw/zinc/46/17/23/526461723.db2.gz NFRHREMPQOQGCN-FQEVSTJZSA-N 2 0 355.526 2.543 50 0 FFAARP COC[C@H]1C[N@H+](Cc2ccc(OC)c(OC)c2Cl)CC12CC[NH2+]CC2 ZINC000169782386 728982890 /nfs/dbraw/zinc/98/28/90/728982890.db2.gz KWGAJGYFYMFFSC-OAHLLOKOSA-N 2 0 368.905 2.805 50 0 FFAARP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(Cn3cc(C[NH3+])nn3)CC2)c1C ZINC000023368337 969272531 /nfs/dbraw/zinc/27/25/31/969272531.db2.gz OJKLHEGUQKORPY-UHFFFAOYSA-N 2 0 369.513 2.777 50 0 FFAARP CCn1cc(C[NH+]2CCC3(C[N@H+](Cc4ccccc4)C[C@H]3CO)CC2)cn1 ZINC000169791326 984969157 /nfs/dbraw/zinc/96/91/57/984969157.db2.gz WLAXRVTYHFCBGZ-NRFANRHFSA-N 2 0 368.525 2.610 50 0 FFAARP COCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(OC)ccc3ccc(OC)cc32)C1 ZINC000952973699 1011017517 /nfs/dbraw/zinc/01/75/17/1011017517.db2.gz HUSLVMSGDIVYST-MRXNPFEDSA-N 2 0 358.482 2.915 50 0 FFAARP CCN1CCC[C@H]1C[N@H+](CCCSC)CC1CC[NH+](CCOC)CC1 ZINC000023375274 211387908 /nfs/dbraw/zinc/38/79/08/211387908.db2.gz BEKDXRAEAQJHOU-FQEVSTJZSA-N 2 0 371.635 2.884 50 0 FFAARP O=C(NCCc1ccccc1)C1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC000067446921 221254753 /nfs/dbraw/zinc/25/47/53/221254753.db2.gz LMCRDGKUWMSQJV-UHFFFAOYSA-N 2 0 369.553 2.932 50 0 FFAARP COc1ccccc1C[NH+]1CCC2(CCC(=O)N([C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000092065060 221834659 /nfs/dbraw/zinc/83/46/59/221834659.db2.gz ATPPFBHKLTWSMP-LJQANCHMSA-N 2 0 371.525 2.604 50 0 FFAARP C[NH+]1CCC(n2nc(-c3ccco3)nc2[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC000096132766 222038463 /nfs/dbraw/zinc/03/84/63/222038463.db2.gz LTSIAVRUGGQIDQ-KRWDZBQOSA-N 2 0 367.453 2.753 50 0 FFAARP CC(=O)C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012315510 506846407 /nfs/dbraw/zinc/84/64/07/506846407.db2.gz FPIALPDIKLVXCR-LJQANCHMSA-N 2 0 363.546 2.545 50 0 FFAARP C[C@@H](Cc1ccccc1F)[NH+]1CCC(Cn2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000020149174 507213658 /nfs/dbraw/zinc/21/36/58/507213658.db2.gz FFGOOYSXBNKZFY-HNNXBMFYSA-N 2 0 359.493 2.954 50 0 FFAARP CCc1cccc(OCCCN(C)C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c1 ZINC000072454441 507793460 /nfs/dbraw/zinc/79/34/60/507793460.db2.gz VFKSKQSECVDEPO-HXUWFJFHSA-N 2 0 373.541 2.550 50 0 FFAARP Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1 ZINC000072477805 507796945 /nfs/dbraw/zinc/79/69/45/507796945.db2.gz PZKJXQAWSNGVLQ-OXJNMPFZSA-N 2 0 354.498 2.638 50 0 FFAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC000091806998 508014321 /nfs/dbraw/zinc/01/43/21/508014321.db2.gz MXYLMVUVTPIMSG-IBGZPJMESA-N 2 0 355.526 2.857 50 0 FFAARP COc1ccc(OC[C@H](O)C[NH+](C)C)c(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000095506720 508191858 /nfs/dbraw/zinc/19/18/58/508191858.db2.gz WFYJIUONXQKFGR-GOSISDBHSA-N 2 0 362.514 2.763 50 0 FFAARP Cc1cc(N2CCCN(Cc3nc(-c4cccnc4)no3)CC2)cc[nH+]1 ZINC000252500519 509845932 /nfs/dbraw/zinc/84/59/32/509845932.db2.gz SXDWVQCIFPRJPF-UHFFFAOYSA-N 2 0 350.426 2.547 50 0 FFAARP CN(C(=O)CC1CC[NH+](C)CC1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000486661597 515586000 /nfs/dbraw/zinc/58/60/00/515586000.db2.gz XSYIOHTVAPRHBG-UHFFFAOYSA-N 2 0 359.514 2.856 50 0 FFAARP CNc1nc(NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)cc(C)[nH+]1 ZINC000082120313 522678064 /nfs/dbraw/zinc/67/80/64/522678064.db2.gz NHQPVYTXNCPZTO-UHFFFAOYSA-N 2 0 355.490 2.784 50 0 FFAARP Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CN2 ZINC000069328827 210210380 /nfs/dbraw/zinc/21/03/80/210210380.db2.gz ICMMKRMTPJIQDW-UXHICEINSA-N 2 0 353.514 2.735 50 0 FFAARP COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000014949077 211106820 /nfs/dbraw/zinc/10/68/20/211106820.db2.gz ZAFMKCXVCCQWGF-IBGZPJMESA-N 2 0 373.541 2.896 50 0 FFAARP Fc1cccc([C@H]2C[N@H+](CC3CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000071736014 221356851 /nfs/dbraw/zinc/35/68/51/221356851.db2.gz GYHABXLCFQZJHD-DUXKGJEZSA-N 2 0 361.480 2.826 50 0 FFAARP CN(c1ccccc1)c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000097527194 222188634 /nfs/dbraw/zinc/18/86/34/222188634.db2.gz DLGOABFZEVGYRW-JOCHJYFZSA-N 2 0 350.510 2.934 50 0 FFAARP COc1ccc(OC[C@@H](O)C[NH+](C)C)c(C[NH2+]C2CCCCCC2)c1 ZINC000012000034 506808044 /nfs/dbraw/zinc/80/80/44/506808044.db2.gz BSVVEPKSAWEVLG-SFHVURJKSA-N 2 0 350.503 2.809 50 0 FFAARP COc1ccc(C[NH2+]Cc2ccc(C)o2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012297947 506844866 /nfs/dbraw/zinc/84/48/66/506844866.db2.gz WAXAMTJYRPBUII-GOSISDBHSA-N 2 0 374.481 2.722 50 0 FFAARP CC(C)(O)CCc1ccc(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)cc1 ZINC000072418519 507786529 /nfs/dbraw/zinc/78/65/29/507786529.db2.gz NVQXCMKPUJCEIC-UHFFFAOYSA-N 2 0 360.542 2.813 50 0 FFAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCc1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000072430536 507789647 /nfs/dbraw/zinc/78/96/47/507789647.db2.gz IDSAJYGFKKFRGU-HNNXBMFYSA-N 2 0 356.297 2.684 50 0 FFAARP O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC000091988239 508030408 /nfs/dbraw/zinc/03/04/08/508030408.db2.gz FBXJVRAQRWITDZ-UHFFFAOYSA-N 2 0 363.452 2.531 50 0 FFAARP O[C@@H](COc1cccc(C[N@@H+]2CCCOCC2)c1)C[NH+]1CCCCCC1 ZINC000095497358 508189813 /nfs/dbraw/zinc/18/98/13/508189813.db2.gz VBMZMIRKSYZZHV-HXUWFJFHSA-N 2 0 362.514 2.525 50 0 FFAARP CSCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000237310920 509619854 /nfs/dbraw/zinc/61/98/54/509619854.db2.gz YMUALSFQGNXUPN-INIZCTEOSA-N 2 0 355.935 2.501 50 0 FFAARP Cc1c[nH+]ccc1N1CCN(C(=O)NCC(C)(C)[NH+]2CCC(C)CC2)CC1 ZINC000534665399 517992885 /nfs/dbraw/zinc/99/28/85/517992885.db2.gz WXJMPJCHGCGLQH-UHFFFAOYSA-N 2 0 373.545 2.732 50 0 FFAARP COc1ccc([C@@H](C)[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)cc1OC ZINC000685941763 571102071 /nfs/dbraw/zinc/10/20/71/571102071.db2.gz BCISSKALHFEXTL-PBHICJAKSA-N 2 0 357.454 2.690 50 0 FFAARP CCN(CC[NH+](C)C)C(=O)[C@@H]1OCC[N@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000675009556 971475518 /nfs/dbraw/zinc/47/55/18/971475518.db2.gz AERLCFBHQXNILG-LEWJYISDSA-N 2 0 373.541 2.781 50 0 FFAARP Cc1cc2c(cc1C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](C)CC1)OCO2 ZINC000067714501 221276954 /nfs/dbraw/zinc/27/69/54/221276954.db2.gz OHLUPJSIBDVZNU-LJQANCHMSA-N 2 0 359.514 2.716 50 0 FFAARP Cc1nc2c(c(NCC[C@@H]3CC[N@H+](Cc4ccccc4)C3)n1)CC[NH2+]C2 ZINC000067869268 221298123 /nfs/dbraw/zinc/29/81/23/221298123.db2.gz KECYPFWXXQXULQ-GOSISDBHSA-N 2 0 351.498 2.755 50 0 FFAARP COc1ccc(-n2cccn2)c(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC000097575109 132229762 /nfs/dbraw/zinc/22/97/62/132229762.db2.gz NCGYKHBOAPWDSV-UHFFFAOYSA-N 2 0 363.465 2.907 50 0 FFAARP Cc1cc(F)cc(C[NH+]2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c1 ZINC000091781309 221797254 /nfs/dbraw/zinc/79/72/54/221797254.db2.gz SVLMFGQLMWAHNK-UHFFFAOYSA-N 2 0 361.505 2.900 50 0 FFAARP CC(=O)C(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012315511 506846789 /nfs/dbraw/zinc/84/67/89/506846789.db2.gz FPIALPDIKLVXCR-IBGZPJMESA-N 2 0 363.546 2.545 50 0 FFAARP C[NH+](C)CCOc1cccc(C[NH+]2CCC(CCC(=O)NC3CC3)CC2)c1 ZINC000012387275 506857295 /nfs/dbraw/zinc/85/72/95/506857295.db2.gz VCUVOVTXFBZFBR-UHFFFAOYSA-N 2 0 373.541 2.898 50 0 FFAARP c1ccc(-c2nc3c(c(NCCC45CCC[NH+]4CCC5)n2)CC[NH2+]C3)nc1 ZINC000072132906 507753463 /nfs/dbraw/zinc/75/34/63/507753463.db2.gz RTDYPLXLLGCZOE-UHFFFAOYSA-N 2 0 364.497 2.615 50 0 FFAARP CCc1cccc(OCCCN(C)C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c1 ZINC000072454440 507793037 /nfs/dbraw/zinc/79/30/37/507793037.db2.gz VFKSKQSECVDEPO-FQEVSTJZSA-N 2 0 373.541 2.550 50 0 FFAARP C[NH+](C)CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095378474 508180282 /nfs/dbraw/zinc/18/02/82/508180282.db2.gz YCPYICUTXOCZSF-IBGZPJMESA-N 2 0 355.526 2.809 50 0 FFAARP COc1cc(C[NH+](C)C)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000095506260 508191900 /nfs/dbraw/zinc/19/19/00/508191900.db2.gz DNECSQJRIOIPDS-SFHVURJKSA-N 2 0 350.503 2.763 50 0 FFAARP [NH3+][C@@H]1[C@H](C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)[C@@H]2CC[C@H]1C2 ZINC000082121608 508226056 /nfs/dbraw/zinc/22/60/56/508226056.db2.gz VZZACXJKRQONLX-MHTWAQMVSA-N 2 0 355.526 2.527 50 0 FFAARP C[NH+](C)CCn1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000225550299 509375569 /nfs/dbraw/zinc/37/55/69/509375569.db2.gz ZLWHKLXTXKHNAL-UHFFFAOYSA-N 2 0 368.525 2.807 50 0 FFAARP COc1cc(C[NH+](C)C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000020867007 522347750 /nfs/dbraw/zinc/34/77/50/522347750.db2.gz HNNABIJFEZPISZ-SFHVURJKSA-N 2 0 350.503 2.761 50 0 FFAARP CCc1cc(N2CCC([N@H+](C)C[C@@H]3CCCCO3)CC2)nc(N(C)C)[nH+]1 ZINC000095520875 536145377 /nfs/dbraw/zinc/14/53/77/536145377.db2.gz SFZCHRMMWMHEGN-SFHVURJKSA-N 2 0 361.534 2.575 50 0 FFAARP C[C@@H](C1CC[NH+](Cc2ccc(O)cc2Cl)CC1)[NH+]1CCN(C)CC1 ZINC000077355659 571140144 /nfs/dbraw/zinc/14/01/44/571140144.db2.gz XHCXFSVJFNJSSZ-HNNXBMFYSA-N 2 0 351.922 2.894 50 0 FFAARP C[NH+]1CCC(NC(=O)[C@@H]2OCC[N@H+](C3CCCC3)[C@H]2c2ccccc2)CC1 ZINC000675011268 971482543 /nfs/dbraw/zinc/48/25/43/971482543.db2.gz RRFNQKJTQUTIHO-LEWJYISDSA-N 2 0 371.525 2.582 50 0 FFAARP COc1ccc(C[NH2+]CC2(N3CC[NH+](C)CC3)CCCCC2)cc1OC ZINC000032587119 986648770 /nfs/dbraw/zinc/64/87/70/986648770.db2.gz JXSZRXRMCNUXNH-UHFFFAOYSA-N 2 0 361.530 2.744 50 0 FFAARP Cc1cc(N2CC[NH+](CC(C)(C)N3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000065382989 221207821 /nfs/dbraw/zinc/20/78/21/221207821.db2.gz SYFAVYCROMVKFY-UHFFFAOYSA-N 2 0 368.525 2.776 50 0 FFAARP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CCC3)CC2)C1 ZINC000071415670 221346618 /nfs/dbraw/zinc/34/66/18/221346618.db2.gz YCIJREJKGKECIR-HXUWFJFHSA-N 2 0 370.541 2.674 50 0 FFAARP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)s1 ZINC000039388412 506450415 /nfs/dbraw/zinc/45/04/15/506450415.db2.gz GWSQOJLOHIMNHA-LJQANCHMSA-N 2 0 365.587 2.798 50 0 FFAARP CC(C)CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000011820924 506797467 /nfs/dbraw/zinc/79/74/67/506797467.db2.gz WMWRPSRPPIWDOC-LJQANCHMSA-N 2 0 372.557 2.920 50 0 FFAARP COCC[NH+]1CCC(C[N@H+](Cc2ccc(CO)o2)Cc2ccncc2)CC1 ZINC000011821350 506797932 /nfs/dbraw/zinc/79/79/32/506797932.db2.gz ICSSPVUCCHSOFS-UHFFFAOYSA-N 2 0 373.497 2.528 50 0 FFAARP C[C@H](Cc1ccccc1F)[NH+]1CCC(Cn2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000020149175 507213306 /nfs/dbraw/zinc/21/33/06/507213306.db2.gz FFGOOYSXBNKZFY-OAHLLOKOSA-N 2 0 359.493 2.954 50 0 FFAARP Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072165066 507766967 /nfs/dbraw/zinc/76/69/67/507766967.db2.gz VRPZHQZLFGRMJS-GOSISDBHSA-N 2 0 374.916 2.520 50 0 FFAARP Cc1c2cc(C)ccc2oc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1 ZINC000072423132 507787547 /nfs/dbraw/zinc/78/75/47/507787547.db2.gz WPEDEUMXVGDCTF-FUHWJXTLSA-N 2 0 355.482 2.821 50 0 FFAARP O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](C[C@H]1CC[NH2+]C1)CC2 ZINC000077354915 508304495 /nfs/dbraw/zinc/30/44/95/508304495.db2.gz BJHSMMNEAIWYKH-KRWDZBQOSA-N 2 0 361.917 2.764 50 0 FFAARP Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)[nH]1 ZINC000215976294 509256069 /nfs/dbraw/zinc/25/60/69/509256069.db2.gz RDEKWDJPWHGXPX-SFHVURJKSA-N 2 0 357.502 2.823 50 0 FFAARP CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000219210198 509285599 /nfs/dbraw/zinc/28/55/99/509285599.db2.gz MHMYXDQEIUBYMK-FQEVSTJZSA-N 2 0 359.514 2.652 50 0 FFAARP CN(Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C)CC1([NH+]2CCCCC2)CCCCC1 ZINC000244715937 509864729 /nfs/dbraw/zinc/86/47/29/509864729.db2.gz LFCGWTJFSZZFDV-IYARVYRRSA-N 2 0 374.577 2.640 50 0 FFAARP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)C1CC[NH+](C)CC1 ZINC000534673733 517993782 /nfs/dbraw/zinc/99/37/82/517993782.db2.gz VUTSMIXELODJLA-HNNXBMFYSA-N 2 0 352.548 2.552 50 0 FFAARP CCC[N@@H+]1CCCn2nc(CNc3cc(CC)[nH+]c(N(C)C)n3)cc2C1 ZINC000082146102 519855288 /nfs/dbraw/zinc/85/52/88/519855288.db2.gz JRPIQUQBQPOOOZ-UHFFFAOYSA-N 2 0 357.506 2.529 50 0 FFAARP C[N@H+](Cc1ccccc1)C1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)CC1 ZINC000244678600 536478887 /nfs/dbraw/zinc/47/88/87/536478887.db2.gz IGOIMALCBZRTHY-HDICACEKSA-N 2 0 351.498 2.782 50 0 FFAARP c1ccc(C[NH+]2CCN(CC[N@@H+]3CCCC4(CCOCC4)C3)CC2)cc1 ZINC000252481955 571131370 /nfs/dbraw/zinc/13/13/70/571131370.db2.gz CVXKOPVPNANCEA-UHFFFAOYSA-N 2 0 357.542 2.697 50 0 FFAARP O[C@H](COc1cccc(C[NH+]2CCSCC2)c1)C[NH+]1CCCCCC1 ZINC000014962212 727819229 /nfs/dbraw/zinc/81/92/29/727819229.db2.gz QOWGDBJWBYYYPM-IBGZPJMESA-N 2 0 364.555 2.851 50 0 FFAARP O[C@H]1[C@H]([NH2+]CCCOc2ccccc2)c2ccccc2C12CC[NH2+]CC2 ZINC000072158514 1019833061 /nfs/dbraw/zinc/83/30/61/1019833061.db2.gz MTUCRLVNTOYVHD-RTWAWAEBSA-N 2 0 352.478 2.782 50 0 FFAARP C[NH+](C)C1(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)CCOCC1 ZINC000244602030 222925957 /nfs/dbraw/zinc/92/59/57/222925957.db2.gz DWIDMEXFCWPDKL-UHFFFAOYSA-N 2 0 373.541 2.903 50 0 FFAARP CC[NH+](CC)[C@@H](Cn1cnc2sc3c(c2c1=O)CC[NH2+]C3)c1ccco1 ZINC000065373590 221205281 /nfs/dbraw/zinc/20/52/81/221205281.db2.gz RVVXHKSLDMZUHG-AWEZNQCLSA-N 2 0 372.494 2.780 50 0 FFAARP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccccc2N2CCOCC2)C[C@H](C)O1 ZINC000066990490 132305841 /nfs/dbraw/zinc/30/58/41/132305841.db2.gz QDGPOTIPWBFZRA-KDURUIRLSA-N 2 0 361.530 2.502 50 0 FFAARP Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)ccc1F ZINC000102685031 222303625 /nfs/dbraw/zinc/30/36/25/222303625.db2.gz ABORJUNHBTVOPQ-RUENVJTFSA-N 2 0 356.445 2.664 50 0 FFAARP CC[NH+](CC)CC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012577773 506880275 /nfs/dbraw/zinc/88/02/75/506880275.db2.gz DQWDFRZXLZHYEL-UHFFFAOYSA-N 2 0 363.521 2.880 50 0 FFAARP CCNC(=O)C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095357726 508175309 /nfs/dbraw/zinc/17/53/09/508175309.db2.gz RYYDWSGVKFPQGU-LJQANCHMSA-N 2 0 355.526 2.857 50 0 FFAARP C[NH+](C)Cc1ccc(CSCCNC(=O)[C@H]2CCCCC[N@@H+]2C)o1 ZINC000095391263 508183909 /nfs/dbraw/zinc/18/39/09/508183909.db2.gz BDSYLQFQRGUQFZ-QGZVFWFLSA-N 2 0 353.532 2.565 50 0 FFAARP C[NH+](C)CCCOc1ccccc1C[NH+]1CCC2(CC1)OCCC[C@H]2O ZINC000215443122 509248624 /nfs/dbraw/zinc/24/86/24/509248624.db2.gz TWFYETLZRGJVQQ-HXUWFJFHSA-N 2 0 362.514 2.523 50 0 FFAARP C[NH+]1CCC(C[NH+]2CCN(Cc3c[nH]nc3-c3cccc(F)c3)CC2)CC1 ZINC000215989294 509256234 /nfs/dbraw/zinc/25/62/34/509256234.db2.gz OPKYVFKMMHEUOK-UHFFFAOYSA-N 2 0 371.504 2.675 50 0 FFAARP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000426492802 513958476 /nfs/dbraw/zinc/95/84/76/513958476.db2.gz LYNHXOXWRHTOTB-HXUWFJFHSA-N 2 0 370.541 2.921 50 0 FFAARP COc1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc(OC)c1 ZINC000048782969 570959680 /nfs/dbraw/zinc/95/96/80/570959680.db2.gz VRXCQWBPYHMHOX-UHFFFAOYSA-N 2 0 369.509 2.741 50 0 FFAARP Cc1ncsc1C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCSC1)CCO2 ZINC000825284753 999306933 /nfs/dbraw/zinc/30/69/33/999306933.db2.gz GILDWPJBNLTHQU-HNNXBMFYSA-N 2 0 353.557 2.624 50 0 FFAARP Cc1ccc([C@@H](C)CC[N@@H+]2CCOC3(CC[NH+](CCCO)CC3)C2)o1 ZINC000828752933 999580681 /nfs/dbraw/zinc/58/06/81/999580681.db2.gz TYMVVWTYMJVJNL-KRWDZBQOSA-N 2 0 350.503 2.631 50 0 FFAARP Cc1c[nH+]c(C2CCOCC2)n1CCNC(=O)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000581813038 999947428 /nfs/dbraw/zinc/94/74/28/999947428.db2.gz MZPJRAZMARQMQD-LJQANCHMSA-N 2 0 374.529 2.609 50 0 FFAARP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000015075655 220145818 /nfs/dbraw/zinc/14/58/18/220145818.db2.gz SNDUWRQLBKHODE-SFHVURJKSA-N 2 0 358.530 2.530 50 0 FFAARP Cc1nccn1-c1ccc(CNCc2csc(-c3ncccn3)n2)cn1 ZINC000058131065 221098040 /nfs/dbraw/zinc/09/80/40/221098040.db2.gz SRSHSKUBXUTETB-UHFFFAOYSA-N 2 0 363.450 2.779 50 0 FFAARP Cc1nc(NC[C@H]2Cc3ccccc3C[N@H+]2C)cc(C2CC[NH2+]CC2)n1 ZINC000067654187 221266519 /nfs/dbraw/zinc/26/65/19/221266519.db2.gz MLCPDNKAEXJBPX-LJQANCHMSA-N 2 0 351.498 2.721 50 0 FFAARP COc1ccc2cc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)c(=O)[nH]c2c1 ZINC000067894915 221302633 /nfs/dbraw/zinc/30/26/33/221302633.db2.gz IQWKQCSVPMOVRR-UHFFFAOYSA-N 2 0 364.449 2.644 50 0 FFAARP Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@H](c4ccccc4)C3)CC2)cc[nH+]1 ZINC000220537801 132275977 /nfs/dbraw/zinc/27/59/77/132275977.db2.gz XCVNFJIBTSQOAP-FQEVSTJZSA-N 2 0 364.493 2.528 50 0 FFAARP O=C(NCC[C@H]1CCCC[NH2+]1)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000426485527 263601052 /nfs/dbraw/zinc/60/10/52/263601052.db2.gz BINVICOCIIYAIO-OAQYLSRUSA-N 2 0 372.557 2.773 50 0 FFAARP Cc1c(C[N@@H+]2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)cnn1C ZINC000012308825 506846921 /nfs/dbraw/zinc/84/69/21/506846921.db2.gz FRHCFWBJLSZJEV-HXUWFJFHSA-N 2 0 353.514 2.858 50 0 FFAARP CC(C)(C)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012305154 506847041 /nfs/dbraw/zinc/84/70/41/506847041.db2.gz FTYIRHBFMPVUNC-LJQANCHMSA-N 2 0 372.557 2.920 50 0 FFAARP C[N@H+](Cc1ccccc1)C1(C(=O)NC[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000072131839 507752994 /nfs/dbraw/zinc/75/29/94/507752994.db2.gz CXAAXFPPRBYIMO-NRFANRHFSA-N 2 0 363.505 2.524 50 0 FFAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1cccc(OC)c1)CC[NH+](C)CC2 ZINC000072476965 507795744 /nfs/dbraw/zinc/79/57/44/507795744.db2.gz DJQSNHHZKFYPAK-FQEVSTJZSA-N 2 0 373.541 2.550 50 0 FFAARP C[C@H](C1CC[NH+](Cc2ccccc2Cn2cccn2)CC1)[NH+]1CCOCC1 ZINC000072478901 507796724 /nfs/dbraw/zinc/79/67/24/507796724.db2.gz AEURASMOHLUJOK-LJQANCHMSA-N 2 0 368.525 2.864 50 0 FFAARP [NH3+]CCc1ccc(C[NH+]2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc1 ZINC000091808391 508014768 /nfs/dbraw/zinc/01/47/68/508014768.db2.gz DTMDLCXLIVUAJJ-UHFFFAOYSA-N 2 0 355.526 2.802 50 0 FFAARP CSc1cccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1 ZINC000091974203 508028971 /nfs/dbraw/zinc/02/89/71/508028971.db2.gz KULGIWLCRAOMBS-HXUWFJFHSA-N 2 0 364.555 2.704 50 0 FFAARP O=C1CCC2(CC[NH2+]CC2)CN1C[C@H](c1ccccc1F)[NH+]1CCCC1 ZINC000091974075 508029093 /nfs/dbraw/zinc/02/90/93/508029093.db2.gz XMWNJUKZECIXMT-LJQANCHMSA-N 2 0 359.489 2.955 50 0 FFAARP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4occc4c3)C[C@H]2CCCO)CC1 ZINC000092037014 508035713 /nfs/dbraw/zinc/03/57/13/508035713.db2.gz MMGIPKSJABWHPC-RTWAWAEBSA-N 2 0 371.525 2.643 50 0 FFAARP CCCC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](CCC(=O)OCC)CC1 ZINC000095462804 508187160 /nfs/dbraw/zinc/18/71/60/508187160.db2.gz HYKHNLPIWZFRJS-IBGZPJMESA-N 2 0 353.551 2.648 50 0 FFAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@H+]2CC=C(C)CC2)cc1OC ZINC000095526768 508196282 /nfs/dbraw/zinc/19/62/82/508196282.db2.gz LTIYOGXIDPORRR-IBGZPJMESA-N 2 0 362.514 2.929 50 0 FFAARP C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000219709109 509292184 /nfs/dbraw/zinc/29/21/84/509292184.db2.gz WKHCAKVIQGKHDT-SFHVURJKSA-N 2 0 374.525 2.764 50 0 FFAARP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261734082 510044664 /nfs/dbraw/zinc/04/46/64/510044664.db2.gz GAWGAYQXSXRABP-INIZCTEOSA-N 2 0 357.502 2.706 50 0 FFAARP [NH3+][C@H]1[C@@H]2CC[C@H]1CN(C(=O)NCCC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000426382585 513922345 /nfs/dbraw/zinc/92/23/45/513922345.db2.gz BGMPWPHGYQBXNP-AERCQKQUSA-N 2 0 370.541 2.667 50 0 FFAARP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)C1CC[NH+](C)CC1 ZINC000534673734 517994697 /nfs/dbraw/zinc/99/46/97/517994697.db2.gz VUTSMIXELODJLA-OAHLLOKOSA-N 2 0 352.548 2.552 50 0 FFAARP O=C(c1ccc(-c2ccc(C[NH+]3CCCC3)cn2)cc1)N1CCC[NH2+]CC1 ZINC000584886044 518522167 /nfs/dbraw/zinc/52/21/67/518522167.db2.gz IEZSXIUIGYZKDG-UHFFFAOYSA-N 2 0 364.493 2.780 50 0 FFAARP C[NH+]1CCC(N2CCN(Cc3ccccc3OC(F)(F)F)CC2)CC1 ZINC000215609314 568079640 /nfs/dbraw/zinc/07/96/40/568079640.db2.gz OIJTWEXZFURDMD-UHFFFAOYSA-N 2 0 357.420 2.797 50 0 FFAARP CCN1CCC[C@@H]1C[N@H+](CCCSC)CC1CC[NH+](CCOC)CC1 ZINC000023375273 727845039 /nfs/dbraw/zinc/84/50/39/727845039.db2.gz BEKDXRAEAQJHOU-HXUWFJFHSA-N 2 0 371.635 2.884 50 0 FFAARP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000180993032 970878476 /nfs/dbraw/zinc/87/84/76/970878476.db2.gz XKXHCHWIBQIHAO-NRFANRHFSA-N 2 0 350.462 2.819 50 0 FFAARP c1sc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1C[NH+]1CCCC1 ZINC000827603761 999510737 /nfs/dbraw/zinc/51/07/37/999510737.db2.gz UUSFUMNANJDATO-SFHVURJKSA-N 2 0 363.571 2.888 50 0 FFAARP Cc1cc(N2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)cc(C)[nH+]1 ZINC000077439969 1020670808 /nfs/dbraw/zinc/67/08/08/1020670808.db2.gz DRPOBQLUEOJTJK-AZUAARDMSA-N 2 0 356.514 2.515 50 0 FFAARP CC(C)[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000067871791 221298909 /nfs/dbraw/zinc/29/89/09/221298909.db2.gz UTBJFAQGZIOJRA-UHFFFAOYSA-N 2 0 357.542 2.930 50 0 FFAARP Cc1cc2n(n1)C[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CN2 ZINC000069328805 221323509 /nfs/dbraw/zinc/32/35/09/221323509.db2.gz ICMMKRMTPJIQDW-VQTJNVASSA-N 2 0 353.514 2.735 50 0 FFAARP CCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071419477 221347647 /nfs/dbraw/zinc/34/76/47/221347647.db2.gz NZBYOTIEYIEXFM-HXUWFJFHSA-N 2 0 369.553 2.856 50 0 FFAARP CC(C)CCOc1cccc(CCNC(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)c1 ZINC000072124183 221410751 /nfs/dbraw/zinc/41/07/51/221410751.db2.gz WLVZOPAEECJZDT-FQEVSTJZSA-N 2 0 373.541 2.502 50 0 FFAARP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([NH3+])CC3)c(N3CCOCC3)nc2c1 ZINC000097819475 132231221 /nfs/dbraw/zinc/23/12/21/132231221.db2.gz MYWLLXSOQYUJGV-IBGZPJMESA-N 2 0 354.498 2.693 50 0 FFAARP CCC[NH+]1CCC(N2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)CC1 ZINC000039387788 506450664 /nfs/dbraw/zinc/45/06/64/506450664.db2.gz VNQFJRSHXRQEBM-HSZRJFAPSA-N 2 0 373.585 2.862 50 0 FFAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCCSC)cc1OC ZINC000011944795 506805350 /nfs/dbraw/zinc/80/53/50/506805350.db2.gz WCOYFEMTYLFNKJ-QGZVFWFLSA-N 2 0 370.559 2.619 50 0 FFAARP O=C(C[NH+]1CCC([C@H]2CC[N@H+](CCc3ccccc3)C2)CC1)NC1CC1 ZINC000072149409 507760485 /nfs/dbraw/zinc/76/04/85/507760485.db2.gz HUTCLNXCGZJMKV-FQEVSTJZSA-N 2 0 355.526 2.542 50 0 FFAARP c1c(C[N@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)nn2c1C[NH2+]CCC2 ZINC000072164946 507766640 /nfs/dbraw/zinc/76/66/40/507766640.db2.gz HLGNKQIUQCYZHF-INIZCTEOSA-N 2 0 364.497 2.707 50 0 FFAARP O=C1[C@H](c2ccccc2)CC2(CC[NH+](C3CC[NH2+]CC3)CC2)CN1C1CC1 ZINC000091526459 507991105 /nfs/dbraw/zinc/99/11/05/507991105.db2.gz QUGMUQRSGLUOTI-NRFANRHFSA-N 2 0 367.537 2.999 50 0 FFAARP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000095353184 508173926 /nfs/dbraw/zinc/17/39/26/508173926.db2.gz OCRHSIGOKZOOCT-IBGZPJMESA-N 2 0 357.542 2.887 50 0 FFAARP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000095353185 508174148 /nfs/dbraw/zinc/17/41/48/508174148.db2.gz OCRHSIGOKZOOCT-LJQANCHMSA-N 2 0 357.542 2.887 50 0 FFAARP C[NH+](C)CCCOc1ccccc1C[NH+]1CCC2(CC1)OCCC[C@@H]2O ZINC000215443175 509248517 /nfs/dbraw/zinc/24/85/17/509248517.db2.gz TWFYETLZRGJVQQ-FQEVSTJZSA-N 2 0 362.514 2.523 50 0 FFAARP Cn1ccnc1-c1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000426698250 514017440 /nfs/dbraw/zinc/01/74/40/514017440.db2.gz MFMKOPAIZGFTNE-UHFFFAOYSA-N 2 0 360.461 2.875 50 0 FFAARP OC[C@H]1CCCCN1CC[NH2+]Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000952970026 740471816 /nfs/dbraw/zinc/47/18/16/740471816.db2.gz PPUFEGYSMMZJMR-QGZVFWFLSA-N 2 0 351.560 2.670 50 0 FFAARP OC[C@@H]1CCCCN1CC[NH2+]Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000952969990 740471905 /nfs/dbraw/zinc/47/19/05/740471905.db2.gz PPUFEGYSMMZJMR-KRWDZBQOSA-N 2 0 351.560 2.670 50 0 FFAARP Cc1cc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)CC2)cc(C)[nH+]1 ZINC000822413197 998873150 /nfs/dbraw/zinc/87/31/50/998873150.db2.gz UEGXIXZAFMIAHU-QGZVFWFLSA-N 2 0 373.545 2.652 50 0 FFAARP Cc1cc(C)n([C@@H]2CC[N@H+](CC3(c4ccc(C)cn4)CC[NH2+]CC3)C2)n1 ZINC000065394696 999876495 /nfs/dbraw/zinc/87/64/95/999876495.db2.gz ZXJUBHNHKMOJEF-LJQANCHMSA-N 2 0 353.514 2.772 50 0 FFAARP C[NH+]1CCN(C2(C[NH2+][C@@H]3CCN(c4ccccc4)C3)CCCCC2)CC1 ZINC000952964057 1011013248 /nfs/dbraw/zinc/01/32/48/1011013248.db2.gz MUGRYDYZOZQFAN-HXUWFJFHSA-N 2 0 356.558 2.805 50 0 FFAARP C[NH+]1CCN(C2(C[NH2+][C@H]3CCN(c4ccccc4)C3)CCCCC2)CC1 ZINC000952964050 1011013301 /nfs/dbraw/zinc/01/33/01/1011013301.db2.gz MUGRYDYZOZQFAN-FQEVSTJZSA-N 2 0 356.558 2.805 50 0 FFAARP CCc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(N2CCOCC2)[nH+]1 ZINC001529103962 1062163277 /nfs/dbraw/zinc/16/32/77/1062163277.db2.gz IOUCCOFTTDBTGZ-IBGZPJMESA-N 2 0 367.497 2.562 50 0 FFAARP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020205791 220318722 /nfs/dbraw/zinc/31/87/22/220318722.db2.gz TZNNVBMOFGAZCN-LJQANCHMSA-N 2 0 367.537 2.609 50 0 FFAARP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC[NH+](Cc2cccs2)CC1 ZINC000058214717 221108697 /nfs/dbraw/zinc/10/86/97/221108697.db2.gz YNMUQXVHTHTDEQ-FQEVSTJZSA-N 2 0 373.566 2.749 50 0 FFAARP Cc1nc2c(c(NCc3ccc(C[NH+]4CCCC4)cc3)n1)CC[NH2+]CC2 ZINC000063882467 221144588 /nfs/dbraw/zinc/14/45/88/221144588.db2.gz JJEDCLSMNQKADH-UHFFFAOYSA-N 2 0 351.498 2.681 50 0 FFAARP COc1ccc(-n2cccc2C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)cc1 ZINC000067982586 221311402 /nfs/dbraw/zinc/31/14/02/221311402.db2.gz BCAHBLGYUMHKDO-UHFFFAOYSA-N 2 0 368.525 2.698 50 0 FFAARP O=C(NCc1csc2ccc(Cl)cc12)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072146910 221424777 /nfs/dbraw/zinc/42/47/77/221424777.db2.gz JUIGVZKAMBRDOC-HNNXBMFYSA-N 2 0 363.914 2.903 50 0 FFAARP Cc1ccc(C[NH+]2CCC(C[NH2+]C3CCN(c4ncccn4)CC3)CC2)o1 ZINC000095526220 132214606 /nfs/dbraw/zinc/21/46/06/132214606.db2.gz LOJICXQUIVEQFJ-UHFFFAOYSA-N 2 0 369.513 2.849 50 0 FFAARP [NH3+][C@@H]1CCN(C(=O)C2(c3ccccc3)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095388666 221895709 /nfs/dbraw/zinc/89/57/09/221895709.db2.gz APIXIFOBVWTRRL-OAQYLSRUSA-N 2 0 363.505 2.780 50 0 FFAARP Cc1cccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000039445646 506450581 /nfs/dbraw/zinc/45/05/81/506450581.db2.gz AUBOHTZYZXHION-JOCHJYFZSA-N 2 0 359.558 2.736 50 0 FFAARP Cc1ccccc1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000023374220 507349479 /nfs/dbraw/zinc/34/94/79/507349479.db2.gz DTYQVTCVSUIALQ-QFIPXVFZSA-N 2 0 359.558 2.736 50 0 FFAARP Cc1cc(N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc(N)[nH+]1 ZINC000072121845 507751770 /nfs/dbraw/zinc/75/17/70/507751770.db2.gz NKRUJPJYDSUVPE-BHIYHBOVSA-N 2 0 371.435 2.712 50 0 FFAARP COc1cccc(-c2cccc(C[N@@H+]3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)c2)c1 ZINC000091644737 507999534 /nfs/dbraw/zinc/99/95/34/507999534.db2.gz LBHBACZZWHIPMW-UNMCSNQZSA-N 2 0 352.478 2.909 50 0 FFAARP Cc1cc(N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc(N)[nH+]1 ZINC000095383019 508181210 /nfs/dbraw/zinc/18/12/10/508181210.db2.gz WOIROTODJMVETP-GDIGMMSISA-N 2 0 371.435 2.712 50 0 FFAARP CCc1nccn1CCC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000222416226 509315523 /nfs/dbraw/zinc/31/55/23/509315523.db2.gz QCERSTWTLPOKCU-LJQANCHMSA-N 2 0 354.498 2.816 50 0 FFAARP CC[N@H+](C)C1(CNC(=O)N2CCN(c3cc[nH+]cc3C)CC2)CCCCC1 ZINC000534588378 517955011 /nfs/dbraw/zinc/95/50/11/517955011.db2.gz CDBDPRZCZVAHPM-UHFFFAOYSA-N 2 0 373.545 2.876 50 0 FFAARP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCSC1 ZINC000241884850 522482181 /nfs/dbraw/zinc/48/21/81/522482181.db2.gz SYHVNWRHBHYFLL-CVEARBPZSA-N 2 0 367.584 2.514 50 0 FFAARP COc1cccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1OCC[NH+](C)C ZINC000215569623 568077417 /nfs/dbraw/zinc/07/74/17/568077417.db2.gz IZDKFXKKOLFBIF-IBGZPJMESA-N 2 0 361.530 2.696 50 0 FFAARP Cc1cc(CN2CC[NH+](CCO)CC2)c(C)c(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000230568494 571096559 /nfs/dbraw/zinc/09/65/59/571096559.db2.gz VMCDALXNIFPPIC-SFHVURJKSA-N 2 0 359.558 2.645 50 0 FFAARP Cc1c[nH+]ccc1NCC[NH2+][C@@H](C)CCc1c(C)[nH]c2ccccc2c1=O ZINC000821175202 998659390 /nfs/dbraw/zinc/65/93/90/998659390.db2.gz KXCBQOWRYOXAMK-INIZCTEOSA-N 2 0 364.493 2.985 50 0 FFAARP C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(CC[NH3+])cc3)cc2)CC1 ZINC000952965281 1011013461 /nfs/dbraw/zinc/01/34/61/1011013461.db2.gz OCXAYUBBOPYTEM-UHFFFAOYSA-N 2 0 353.466 2.913 50 0 FFAARP Cc1c[nH+]ccc1N1CCC[N@@H+]([C@@H]2CCC(=O)N(CC3CC3)CC2)CC1 ZINC001506415433 1059502863 /nfs/dbraw/zinc/50/28/63/1059502863.db2.gz NVBLGFDXKVAUCT-LJQANCHMSA-N 2 0 356.514 2.693 50 0 FFAARP COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2CC[NH+]2CCCCC2)c1 ZINC000015002315 220139848 /nfs/dbraw/zinc/13/98/48/220139848.db2.gz FTTVNDOWWQXBBX-IBGZPJMESA-N 2 0 359.514 2.652 50 0 FFAARP Cc1cc(C)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1Cn1cncn1 ZINC000065372910 221205315 /nfs/dbraw/zinc/20/53/15/221205315.db2.gz RHNNXEJSLKVGIA-UHFFFAOYSA-N 2 0 362.481 2.660 50 0 FFAARP C[C@@H]1CCCC[N@@H+]1C1CN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)C1 ZINC000067954267 221307504 /nfs/dbraw/zinc/30/75/04/221307504.db2.gz LPTILFVNRTZZBR-MRXNPFEDSA-N 2 0 363.509 2.852 50 0 FFAARP COc1ccc(C[NH2+]Cc2ccc(C)o2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012297946 506844720 /nfs/dbraw/zinc/84/47/20/506844720.db2.gz WAXAMTJYRPBUII-SFHVURJKSA-N 2 0 374.481 2.722 50 0 FFAARP CC[NH+]1CCC(N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000019867457 507203126 /nfs/dbraw/zinc/20/31/26/507203126.db2.gz VVYQVRDLKQKOFZ-QFIPXVFZSA-N 2 0 374.548 2.896 50 0 FFAARP Cc1nn(C)c(C)c1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000069833362 507571513 /nfs/dbraw/zinc/57/15/13/507571513.db2.gz DUCVTRWQUMVPAT-HZPDHXFCSA-N 2 0 356.514 2.936 50 0 FFAARP CN1CC[NH+](C[C@H]2CC[C@@H](Cc3ccc(C[NH+]4CCCC4)cc3)O2)CC1 ZINC000072439547 507792274 /nfs/dbraw/zinc/79/22/74/507792274.db2.gz WTRHIMQOVOLLAR-FCHUYYIVSA-N 2 0 357.542 2.620 50 0 FFAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1cccc(F)c1F)CC[NH+](C)CC2 ZINC000072476348 507795806 /nfs/dbraw/zinc/79/58/06/507795806.db2.gz BPFCDQIPBYLRKR-QGZVFWFLSA-N 2 0 365.468 2.777 50 0 FFAARP C[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000079648710 507987067 /nfs/dbraw/zinc/98/70/67/507987067.db2.gz MZAKDZVHCBGJQV-SFHVURJKSA-N 2 0 371.529 2.531 50 0 FFAARP COCCCN(C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1)C1CC[NH+](C)CC1 ZINC000095363119 508176804 /nfs/dbraw/zinc/17/68/04/508176804.db2.gz VGOWVOHXSOJNBN-HXUWFJFHSA-N 2 0 373.541 2.727 50 0 FFAARP C[NH+](C)Cc1ccc(CSCCNC(=O)[C@@H]2CCCCC[N@@H+]2C)o1 ZINC000095391264 508183560 /nfs/dbraw/zinc/18/35/60/508183560.db2.gz BDSYLQFQRGUQFZ-KRWDZBQOSA-N 2 0 353.532 2.565 50 0 FFAARP O[C@@H](COc1ccc(C[NH+]2CCC(F)CC2)cc1)C[NH+]1CCCCC1 ZINC000095508538 508192917 /nfs/dbraw/zinc/19/29/17/508192917.db2.gz JKOXKIAUGIXKQJ-LJQANCHMSA-N 2 0 350.478 2.846 50 0 FFAARP Nc1nc(NCCC2CC[NH+](C3CCCC3)CC2)cc(C2CC([NH3+])C2)n1 ZINC000220091494 509296135 /nfs/dbraw/zinc/29/61/35/509296135.db2.gz PUCJAYQPMZERLM-UHFFFAOYSA-N 2 0 358.534 2.720 50 0 FFAARP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000237615332 509690653 /nfs/dbraw/zinc/69/06/53/509690653.db2.gz HBEANVDYCULMOO-KVPLUYHFSA-N 2 0 359.514 2.567 50 0 FFAARP Cc1cc(N2CCC[N@H+](C[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc[nH+]1 ZINC000299797899 533893719 /nfs/dbraw/zinc/89/37/19/533893719.db2.gz TXQFKLDTKMKMMT-IBGZPJMESA-N 2 0 364.493 2.955 50 0 FFAARP COc1cccc(-c2cccc(C[N@@H+]3C[C@H](CO)[C@H](C[NH+](C)C)C3)c2)c1 ZINC000091680421 525713271 /nfs/dbraw/zinc/71/32/71/525713271.db2.gz OTUAWQBUAHXLNW-NHCUHLMSSA-N 2 0 354.494 2.964 50 0 FFAARP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(OC3CCCC3)c1)CC2 ZINC000091536357 527189141 /nfs/dbraw/zinc/18/91/41/527189141.db2.gz ZMFAAMIDNPUWFY-RTWAWAEBSA-N 2 0 374.525 2.699 50 0 FFAARP CSCC[NH+]1CCC(NC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000952987698 740473115 /nfs/dbraw/zinc/47/31/15/740473115.db2.gz MNVHTXYZTXCXRO-UHFFFAOYSA-N 2 0 355.592 2.877 50 0 FFAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccnc2)CC1 ZINC000012305637 988246190 /nfs/dbraw/zinc/24/61/90/988246190.db2.gz MAIYGYKMLQNKSG-HXUWFJFHSA-N 2 0 358.530 2.674 50 0 FFAARP CC(C)C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC001529192144 1062216087 /nfs/dbraw/zinc/21/60/87/1062216087.db2.gz OSADRDDAJRLYBS-JOCHJYFZSA-N 2 0 359.558 2.941 50 0 FFAARP CC1(C)CC(NC(=O)CC[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000000822255 219327185 /nfs/dbraw/zinc/32/71/85/219327185.db2.gz GMBXBKNMMIWUED-UHFFFAOYSA-N 3 0 366.594 2.701 50 0 FFAARP COc1ccc(C[N@H+](C)C(C)C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000015072242 220146305 /nfs/dbraw/zinc/14/63/05/220146305.db2.gz PBVKKBSRMJMXIL-GOSISDBHSA-N 2 0 350.503 2.761 50 0 FFAARP COc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1OC ZINC000048782946 221014568 /nfs/dbraw/zinc/01/45/68/221014568.db2.gz HGXSGPOKTVGFCA-UHFFFAOYSA-N 2 0 369.509 2.741 50 0 FFAARP Cc1ccc(C2(C[N@H+](C)Cc3[nH]nc4c3CCCC4)CC[NH2+]CC2)nc1 ZINC000067559354 221259539 /nfs/dbraw/zinc/25/95/39/221259539.db2.gz VRTGMFVBQSGYPA-UHFFFAOYSA-N 2 0 353.514 2.745 50 0 FFAARP COc1cc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)ccc1OC(C)C ZINC000067974028 221310394 /nfs/dbraw/zinc/31/03/94/221310394.db2.gz JWGVPHFQVCKYGK-UHFFFAOYSA-N 2 0 361.530 2.694 50 0 FFAARP Cc1cc(N2CCN(C(=O)c3ccc(C[NH+]4CCCC4)o3)CC2)cc(C)[nH+]1 ZINC000077471968 132186540 /nfs/dbraw/zinc/18/65/40/132186540.db2.gz PKVJPACZHCLSSH-UHFFFAOYSA-N 2 0 368.481 2.850 50 0 FFAARP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000097164606 132228105 /nfs/dbraw/zinc/22/81/05/132228105.db2.gz RDMMKTLSIMWVKD-UHFFFAOYSA-N 2 0 361.534 2.634 50 0 FFAARP COCCN(C)c1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000252506282 132293048 /nfs/dbraw/zinc/29/30/48/132293048.db2.gz VYIIGRUHFXRHKX-UHFFFAOYSA-N 2 0 369.513 2.565 50 0 FFAARP Cc1nc2ccccn2c1C[N@H+]1CCCC[C@H]1CCN1CC[NH+](C)CC1 ZINC000102546929 222299642 /nfs/dbraw/zinc/29/96/42/222299642.db2.gz YDEOZLCECGRFDE-IBGZPJMESA-N 2 0 355.530 2.635 50 0 FFAARP CC(C)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011662361 506784463 /nfs/dbraw/zinc/78/44/63/506784463.db2.gz VJJDEHSHJLZALZ-HXUWFJFHSA-N 2 0 369.553 2.855 50 0 FFAARP COc1ccc(C[NH2+]CCCSC)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011873216 506801238 /nfs/dbraw/zinc/80/12/38/506801238.db2.gz GEIFCVHMWQQGAI-QGZVFWFLSA-N 2 0 370.559 2.618 50 0 FFAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](C2CCSCC2)CC1 ZINC000012203552 506835498 /nfs/dbraw/zinc/83/54/98/506835498.db2.gz MRAPKIWZCQUQTM-IBGZPJMESA-N 2 0 367.603 2.975 50 0 FFAARP C[NH+](C)[C@@H](CNc1nc(C2CC2)nc2c1CC[NH2+]CC2)c1cccs1 ZINC000072428071 507789314 /nfs/dbraw/zinc/78/93/14/507789314.db2.gz NHGYVLVHYHKKCN-INIZCTEOSA-N 2 0 357.527 2.819 50 0 FFAARP CN1CC[NH+](CC2CC[NH+](Cc3ccc(CCC(C)(C)O)cc3)CC2)CC1 ZINC000072474056 507795047 /nfs/dbraw/zinc/79/50/47/507795047.db2.gz OIXNVWPMVXQXPA-UHFFFAOYSA-N 2 0 373.585 2.850 50 0 FFAARP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@H]3CNc4ccnn4C3)cc2)C1 ZINC000241644537 509843290 /nfs/dbraw/zinc/84/32/90/509843290.db2.gz PROIIPUFBOWJSV-XLIONFOSSA-N 2 0 353.514 2.947 50 0 FFAARP OC[C@@H]1C[NH2+]C[C@H]1C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000169788999 728982610 /nfs/dbraw/zinc/98/26/10/728982610.db2.gz BLKLXNCMUQASFF-RDJZCZTQSA-N 2 0 358.404 2.625 50 0 FFAARP O=C1O[C@@H]2C[N@@H+](C34CC5CC(CC(C5)C3)C4)C[C@@H]2N1CC[NH+]1CCCCC1 ZINC000020118740 220313895 /nfs/dbraw/zinc/31/38/95/220313895.db2.gz VVDUJWOCJMYLFP-GKHXVQBSSA-N 2 0 373.541 2.946 50 0 FFAARP CC(C)Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1 ZINC000020994080 220347088 /nfs/dbraw/zinc/34/70/88/220347088.db2.gz KIGNOTOFDGJEOI-QHCPKHFHSA-N 2 0 373.585 2.848 50 0 FFAARP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000058161006 221100192 /nfs/dbraw/zinc/10/01/92/221100192.db2.gz YCLWMEIJCUTVRY-UHFFFAOYSA-N 2 0 358.530 2.908 50 0 FFAARP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000036669144 506412207 /nfs/dbraw/zinc/41/22/07/506412207.db2.gz BOWZEJVTZQJPCX-UHFFFAOYSA-N 2 0 358.299 2.704 50 0 FFAARP Cc1ccc(C)c(OCCCN(C)C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c1 ZINC000072424838 507788289 /nfs/dbraw/zinc/78/82/89/507788289.db2.gz PQDCZTMUVQUMRS-LJQANCHMSA-N 2 0 373.541 2.605 50 0 FFAARP C[N@@H+](Cc1cc(=O)c2cccc(Cl)c2[nH]1)CC1CC[NH+](CCO)CC1 ZINC000092062181 508038423 /nfs/dbraw/zinc/03/84/23/508038423.db2.gz GLJVCDXJLHWOAP-UHFFFAOYSA-N 2 0 363.889 2.730 50 0 FFAARP Cc1c(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc2c[nH+]cn21 ZINC000095465208 508187282 /nfs/dbraw/zinc/18/72/82/508187282.db2.gz IBRSYEGAXFTIME-HZPDHXFCSA-N 2 0 370.497 2.604 50 0 FFAARP Cc1c(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc2c[nH+]cn21 ZINC000095465209 508187328 /nfs/dbraw/zinc/18/73/28/508187328.db2.gz IBRSYEGAXFTIME-HOTGVXAUSA-N 2 0 370.497 2.604 50 0 FFAARP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](Cc2ccco2)C1 ZINC000095498494 508189778 /nfs/dbraw/zinc/18/97/78/508189778.db2.gz ITXMSCXQRCIRBS-FQEVSTJZSA-N 2 0 367.493 2.666 50 0 FFAARP Cc1cc(C)n2ncc(C[N@@H+]3CCCN(c4cc[nH+]c(C)c4)CC3)c2n1 ZINC000215505717 509249351 /nfs/dbraw/zinc/24/93/51/509249351.db2.gz AASODSISWQXHCU-UHFFFAOYSA-N 2 0 350.470 2.762 50 0 FFAARP COc1ccc2[nH]c(CCNc3cc([C@H]4C[C@@H]([NH3+])C4)nc(C)n3)nc2c1 ZINC000253378413 509873390 /nfs/dbraw/zinc/87/33/90/509873390.db2.gz FCNWVMUOFBQDDJ-BETUJISGSA-N 2 0 352.442 2.529 50 0 FFAARP CC(C)C[N@H+]1CCc2nnc([C@@H]3CC[NH+](Cc4ccccc4)C3)n2CC1 ZINC000257177093 509945917 /nfs/dbraw/zinc/94/59/17/509945917.db2.gz AVXWTPORPDSSQC-LJQANCHMSA-N 2 0 353.514 2.782 50 0 FFAARP CCNC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000020540814 521733748 /nfs/dbraw/zinc/73/37/48/521733748.db2.gz FBORVWPYJWUHBK-UHFFFAOYSA-N 2 0 357.542 2.932 50 0 FFAARP O[C@@H](COc1cccc(C[NH+]2CCSCC2)c1)C[NH+]1CCCCCC1 ZINC000014962208 727819117 /nfs/dbraw/zinc/81/91/17/727819117.db2.gz QOWGDBJWBYYYPM-LJQANCHMSA-N 2 0 364.555 2.851 50 0 FFAARP Cc1cc(C)n(CCC[N@@H+](C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)n1 ZINC000023430235 969316878 /nfs/dbraw/zinc/31/68/78/969316878.db2.gz BPRBVGLEPFVJIQ-RTWAWAEBSA-N 2 0 368.525 2.559 50 0 FFAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCCSC)cc1OC ZINC000011944801 219944983 /nfs/dbraw/zinc/94/49/83/219944983.db2.gz WCOYFEMTYLFNKJ-KRWDZBQOSA-N 2 0 370.559 2.619 50 0 FFAARP CCn1cc(C[N@H+](CC)CC2CC[NH+](C3CCN(C)CC3)CC2)c(C)n1 ZINC000015064114 220144511 /nfs/dbraw/zinc/14/45/11/220144511.db2.gz XMZANCAKJKSHTI-UHFFFAOYSA-N 2 0 361.578 2.840 50 0 FFAARP COCC[NH+]1CCC(C[NH+]2CCN(c3nccc4ccccc43)CC2)CC1 ZINC000065491488 221225676 /nfs/dbraw/zinc/22/56/76/221225676.db2.gz ZCQWWJINRKNVLL-UHFFFAOYSA-N 2 0 368.525 2.715 50 0 FFAARP CN(CC[NH+](C)C)C(=O)c1cccc(OC2CC[NH+](C3CCC3)CC2)c1 ZINC000011817507 263368202 /nfs/dbraw/zinc/36/82/02/263368202.db2.gz GIXUSRWALRCGDM-UHFFFAOYSA-N 2 0 359.514 2.716 50 0 FFAARP CC(C)COc1ccccc1CN(C)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072432648 507790707 /nfs/dbraw/zinc/79/07/07/507790707.db2.gz AFYJXIPRLDMTQQ-LJQANCHMSA-N 2 0 373.541 2.754 50 0 FFAARP O=C1CCC2(CC[NH2+]CC2)CN1C[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000091974076 508028993 /nfs/dbraw/zinc/02/89/93/508028993.db2.gz XMWNJUKZECIXMT-IBGZPJMESA-N 2 0 359.489 2.955 50 0 FFAARP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1CN1CC[NH+](CC2CC2)CC1 ZINC000216114484 509258118 /nfs/dbraw/zinc/25/81/18/509258118.db2.gz ACCGBAJVHLZSRB-UHFFFAOYSA-N 2 0 370.585 2.578 50 0 FFAARP CN1CC[NH+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000253370720 509873479 /nfs/dbraw/zinc/87/34/79/509873479.db2.gz VEJWDYSFSQTDRY-NUNAXRQHSA-N 3 0 370.585 2.799 50 0 FFAARP OCC[N@@H+]1CCCn2ccnc2[C@H]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000257190564 509952184 /nfs/dbraw/zinc/95/21/84/509952184.db2.gz MXORJZCPNNWICZ-OAQYLSRUSA-N 2 0 368.525 2.577 50 0 FFAARP COc1cc(CN2CCCC[C@@H]2C[NH3+])ccc1OCC[NH+]1CCCCC1 ZINC000216354963 522373091 /nfs/dbraw/zinc/37/30/91/522373091.db2.gz QEWIGXGUYMBLPZ-LJQANCHMSA-N 2 0 361.530 2.873 50 0 FFAARP COC[C@H]1C[N@H+](Cc2ccc(Br)s2)CC12CC[NH2+]CC2 ZINC000169783974 728982853 /nfs/dbraw/zinc/98/28/53/728982853.db2.gz HLJNXIWMIPYVFZ-GFCCVEGCSA-N 2 0 359.333 2.959 50 0 FFAARP Cc1nnc([C@@H]2C[N@H+](Cc3cccnc3)CC23CC[NH+](CC2CC2)CC3)o1 ZINC000675014631 971492574 /nfs/dbraw/zinc/49/25/74/971492574.db2.gz OZVWLGMYKFSCAI-IBGZPJMESA-N 2 0 367.497 2.865 50 0 FFAARP CC[C@H](C)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000011664924 987273305 /nfs/dbraw/zinc/27/33/05/987273305.db2.gz OCVRIGWQICCTKY-KRWDZBQOSA-N 2 0 358.530 2.673 50 0 FFAARP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]CC2=Cc3ccccc3OC2)C1 ZINC000180993051 991584901 /nfs/dbraw/zinc/58/49/01/991584901.db2.gz XKXHCHWIBQIHAO-OAQYLSRUSA-N 2 0 350.462 2.819 50 0 FFAARP O[C@H]1[C@H]([N@@H+]2CCc3ccc(F)cc3C2)c2ccccc2C12CC[NH2+]CC2 ZINC000020909139 1022619386 /nfs/dbraw/zinc/61/93/86/1022619386.db2.gz WFLDUCRQFUPBSB-RTWAWAEBSA-N 2 0 352.453 2.921 50 0 FFAARP Cc1cc2n(n1)C[C@@H](C[NH2+]C1CC[NH+](CCc3ccccc3)CC1)CN2 ZINC000069328552 221324068 /nfs/dbraw/zinc/32/40/68/221324068.db2.gz NMDMIUQCGPVQNA-IBGZPJMESA-N 2 0 353.514 2.530 50 0 FFAARP O=C(C[NH+]1CCCCC1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071774788 221374818 /nfs/dbraw/zinc/37/48/18/221374818.db2.gz SJBCMFMRLBMKAA-KSEOMHKRSA-N 2 0 353.510 2.561 50 0 FFAARP O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000095356643 132207439 /nfs/dbraw/zinc/20/74/39/132207439.db2.gz XOKAPMFEWBRULT-IBGZPJMESA-N 2 0 350.466 2.511 50 0 FFAARP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)CC1 ZINC000095366533 132208346 /nfs/dbraw/zinc/20/83/46/132208346.db2.gz BUTVKQGZIPBHQJ-SFHVURJKSA-N 2 0 368.481 2.544 50 0 FFAARP Cc1ccc([C@@H](C[NH2+]C2CCN(c3cc(C)[nH+]c(N)n3)CC2)N(C)C)cc1 ZINC000095379654 132209586 /nfs/dbraw/zinc/20/95/86/132209586.db2.gz OPBIJFRGRMADHR-LJQANCHMSA-N 2 0 368.529 2.537 50 0 FFAARP COc1ccc(C[NH+]2CCC2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000095517954 221942146 /nfs/dbraw/zinc/94/21/46/221942146.db2.gz WVXXAXXFUBQNQM-LJQANCHMSA-N 2 0 362.514 2.907 50 0 FFAARP C/C=C(\C)C[N@@H+]1CCCn2nc(CN(C)C[C@]3(C)CC[NH+](C)C3)cc2C1 ZINC000072149664 507759684 /nfs/dbraw/zinc/75/96/84/507759684.db2.gz ZEIDXWXCYXRLSU-POCMVBEYSA-N 2 0 359.562 2.829 50 0 FFAARP [NH3+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(-c4ccco4)cc3)CC[C@H]21 ZINC000072478021 507797070 /nfs/dbraw/zinc/79/70/70/507797070.db2.gz LKAFIILSYIANAK-RBUKOAKNSA-N 2 0 353.466 2.718 50 0 FFAARP COc1ccccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420639 507894094 /nfs/dbraw/zinc/89/40/94/507894094.db2.gz ZQHHZCSOACVFMB-FQEVSTJZSA-N 2 0 367.493 2.682 50 0 FFAARP CN1CCc2nc[nH]c2C12CC[NH+](Cc1cc(C[NH+](C)C)cs1)CC2 ZINC000091493417 507989962 /nfs/dbraw/zinc/98/99/62/507989962.db2.gz DTBDSINJEWPYFX-UHFFFAOYSA-N 2 0 359.543 2.512 50 0 FFAARP COC[C@]1(O)CC[N@H+](Cc2cc(C[NH+]3CCCC3)cs2)CC1(C)C ZINC000091876658 508021106 /nfs/dbraw/zinc/02/11/06/508021106.db2.gz UORFQWZQWIFJGJ-LJQANCHMSA-N 2 0 352.544 2.953 50 0 FFAARP O[C@@H](COc1ccccc1C[NH+]1CCC(F)CC1)C[NH+]1CCCCC1 ZINC000095523418 508194540 /nfs/dbraw/zinc/19/45/40/508194540.db2.gz DGBMAVOQJQEPQI-LJQANCHMSA-N 2 0 350.478 2.846 50 0 FFAARP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)cc2)CC1 ZINC000095939772 508198486 /nfs/dbraw/zinc/19/84/86/508198486.db2.gz GFPNKGOUCMXRIX-NRFANRHFSA-N 2 0 370.541 2.637 50 0 FFAARP Cc1c[nH+]ccc1NCCNC(=O)C1(c2ccccc2)CC[NH+](C)CC1 ZINC000219311777 509287149 /nfs/dbraw/zinc/28/71/49/509287149.db2.gz AUBDQFYRNDIGPI-UHFFFAOYSA-N 2 0 352.482 2.582 50 0 FFAARP CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCCC[NH+]2CCCCC2)c1 ZINC000244787944 509869421 /nfs/dbraw/zinc/86/94/21/509869421.db2.gz QGURVPQIZAOCPJ-FQEVSTJZSA-N 2 0 359.514 2.652 50 0 FFAARP CCC[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)C1 ZINC000426536556 513974003 /nfs/dbraw/zinc/97/40/03/513974003.db2.gz TUGNNNDEHCCFAW-LJQANCHMSA-N 2 0 373.545 2.734 50 0 FFAARP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C)cc(N3CC[NH+](C)CC3)c2)C1 ZINC000240423822 534955991 /nfs/dbraw/zinc/95/59/91/534955991.db2.gz FRCPZQKFMGLJIF-GOSISDBHSA-N 2 0 373.545 2.600 50 0 FFAARP