smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CSC ZINC000012056164 539542173 /nfs/dbraw/zinc/54/21/73/539542173.db2.gz RTSUTSFXTZOUSP-GOSISDBHSA-N 1 3 371.591 2.021 50 0 FEAAHO c1c(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)nn2c1CNCCC2 ZINC000072154287 541790304 /nfs/dbraw/zinc/79/03/04/541790304.db2.gz DKHVXRFEXNDVRH-UHFFFAOYSA-N 1 3 365.525 2.399 50 0 FEAAHO c1c(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)nn2c1CNCCC2 ZINC000072154287 541790307 /nfs/dbraw/zinc/79/03/07/541790307.db2.gz DKHVXRFEXNDVRH-UHFFFAOYSA-N 1 3 365.525 2.399 50 0 FEAAHO c1ccc(-c2nc3c(c(NCC[NH+]4CCCCCC4)n2)CCNC3)nc1 ZINC000072163751 541793550 /nfs/dbraw/zinc/79/35/50/541793550.db2.gz XUDRIFYIRYNGGB-UHFFFAOYSA-N 1 3 352.486 2.472 50 0 FEAAHO COc1ccccc1CN1CCC2(CN(CCC[NH+](C)C)C(=O)O2)CC1 ZINC000072418049 541808080 /nfs/dbraw/zinc/80/80/80/541808080.db2.gz ASGKYNDLADTUMV-UHFFFAOYSA-N 1 3 361.486 2.434 50 0 FEAAHO Cc1cccc(N2CCC([NH2+][C@@H]3CCOC[C@H]3OCCN(C)C)CC2)c1 ZINC000222291511 132276725 /nfs/dbraw/zinc/27/67/25/132276725.db2.gz RAPVXHJPXYFQPQ-NHCUHLMSSA-N 1 3 361.530 2.289 50 0 FEAAHO O=C(NCCCN1CCC(O)CC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299758433 553611251 /nfs/dbraw/zinc/61/12/51/553611251.db2.gz KWGYTTWDPHZPTO-HBMCJLEFSA-N 1 3 371.525 2.175 50 0 FEAAHO O=C(NCCCN1CCC(O)CC1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299758433 553611252 /nfs/dbraw/zinc/61/12/52/553611252.db2.gz KWGYTTWDPHZPTO-HBMCJLEFSA-N 1 3 371.525 2.175 50 0 FEAAHO CCN(CCN1CCCCCC1)C(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426420042 571222604 /nfs/dbraw/zinc/22/26/04/571222604.db2.gz UYXRTIRWZGJMQP-GOSISDBHSA-N 1 3 361.534 2.075 50 0 FEAAHO Cc1cc(N)nc(C)c1-c1ccc(C(=O)N2CCO[C@@H](CC[NH3+])C2)cc1 ZINC000534585973 540385529 /nfs/dbraw/zinc/38/55/29/540385529.db2.gz OQGWRFBXRKEUDU-KRWDZBQOSA-N 1 3 354.454 2.137 50 0 FEAAHO Cc1ncc(CN2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@H]3CO)n1C ZINC000097797399 543016684 /nfs/dbraw/zinc/01/66/84/543016684.db2.gz ZNRROXCQAUGIMK-IBGZPJMESA-N 1 3 372.513 2.418 50 0 FEAAHO Cc1ncc(CN2CCC3(CC2)CC[N@@H+](Cc2ccoc2)C[C@H]3CO)n1C ZINC000097797399 543016688 /nfs/dbraw/zinc/01/66/88/543016688.db2.gz ZNRROXCQAUGIMK-IBGZPJMESA-N 1 3 372.513 2.418 50 0 FEAAHO CCc1cc(CNC(=O)[C@@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)on1 ZINC000011817239 539535673 /nfs/dbraw/zinc/53/56/73/539535673.db2.gz NCZNPASLEPLDAX-MRXNPFEDSA-N 1 3 362.518 2.438 50 0 FEAAHO CC[NH+](CC)C[C@H](O)COc1ccc(CNCCSC)cc1OC ZINC000015067320 539610455 /nfs/dbraw/zinc/61/04/55/539610455.db2.gz QTTQKOYYNWLERB-INIZCTEOSA-N 1 3 356.532 2.229 50 0 FEAAHO CN1CC2(C[C@@H]1C(=O)NCC1(COc3ccccc3)CC1)CC[NH2+]CC2 ZINC000072409180 541806300 /nfs/dbraw/zinc/80/63/00/541806300.db2.gz IODGWXYLQJZVEP-GOSISDBHSA-N 1 3 357.498 2.036 50 0 FEAAHO Cc1cc2c(cc1[C@H]1[NH2+][C@](CO)(c3ccccc3)[C@H]3CN(C)C[C@H]31)OCO2 ZINC000065429188 205351042 /nfs/dbraw/zinc/35/10/42/205351042.db2.gz XCVOFTVJMJFGQQ-GMQQQROESA-N 1 3 366.461 2.434 50 0 FEAAHO CN1CCC([N@@H+]2CCN(Cc3cccc4cnccc43)C[C@H]2CCO)CC1 ZINC000104391032 206238950 /nfs/dbraw/zinc/23/89/50/206238950.db2.gz PUJNROGAXNRZDL-OAQYLSRUSA-N 1 3 368.525 2.198 50 0 FEAAHO CN1CCC([N@H+]2CCN(Cc3cccc4cnccc43)C[C@H]2CCO)CC1 ZINC000104391032 206238953 /nfs/dbraw/zinc/23/89/53/206238953.db2.gz PUJNROGAXNRZDL-OAQYLSRUSA-N 1 3 368.525 2.198 50 0 FEAAHO C[NH+]1CCC(N2CCN(Cc3cccc4cnccc43)C[C@H]2CCO)CC1 ZINC000104391032 206238958 /nfs/dbraw/zinc/23/89/58/206238958.db2.gz PUJNROGAXNRZDL-OAQYLSRUSA-N 1 3 368.525 2.198 50 0 FEAAHO [NH3+]CCc1cccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)c1 ZINC000091845856 542828279 /nfs/dbraw/zinc/82/82/79/542828279.db2.gz NKNRGTWWZIBZCE-TZIWHRDSSA-N 1 3 364.493 2.319 50 0 FEAAHO O[C@H](COc1cccc(C[N@@H+]2CCCCC23CC3)c1)CN1CCC(O)CC1 ZINC000095501659 542975529 /nfs/dbraw/zinc/97/55/29/542975529.db2.gz RAPUDVHQEHPSHR-FQEVSTJZSA-N 1 3 374.525 2.402 50 0 FEAAHO O[C@H](COc1cccc(C[N@H+]2CCCCC23CC3)c1)CN1CCC(O)CC1 ZINC000095501659 542975533 /nfs/dbraw/zinc/97/55/33/542975533.db2.gz RAPUDVHQEHPSHR-FQEVSTJZSA-N 1 3 374.525 2.402 50 0 FEAAHO CN1C[C@@H]2CCC[C@H]1CN(C(=O)c1cc(Cl)ccc1OCC[NH3+])C2 ZINC000426479825 559735439 /nfs/dbraw/zinc/73/54/39/559735439.db2.gz VHTUURFCFPVETB-ZFWWWQNUSA-N 1 3 351.878 2.234 50 0 FEAAHO C[N@H+](C[C@H](O)COc1ccccc1CNCCCO)C1CCCCC1 ZINC000011998521 539540865 /nfs/dbraw/zinc/54/08/65/539540865.db2.gz WKRXUGIGFMVSDU-IBGZPJMESA-N 1 3 350.503 2.163 50 0 FEAAHO C[N@@H+](C[C@H](O)COc1ccccc1CNCCCO)C1CCCCC1 ZINC000011998521 539540869 /nfs/dbraw/zinc/54/08/69/539540869.db2.gz WKRXUGIGFMVSDU-IBGZPJMESA-N 1 3 350.503 2.163 50 0 FEAAHO CC[NH+](CC)C[C@@H](O)COc1ccc(CNCCOC(C)C)cc1OC ZINC000012711096 539571308 /nfs/dbraw/zinc/57/13/08/539571308.db2.gz XFABQJPTVUBBLZ-GOSISDBHSA-N 1 3 368.518 2.291 50 0 FEAAHO Cc1cc(N)nc(C)c1-c1ccc(C(=O)N2CCO[C@H](CC[NH3+])C2)cc1 ZINC000534585974 540385523 /nfs/dbraw/zinc/38/55/23/540385523.db2.gz OQGWRFBXRKEUDU-QGZVFWFLSA-N 1 3 354.454 2.137 50 0 FEAAHO Cc1nn(C(C)C)c(C)c1CN(C)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072411252 541807184 /nfs/dbraw/zinc/80/71/84/541807184.db2.gz YDFDVDAXAPYDOK-GOSISDBHSA-N 1 3 361.534 2.113 50 0 FEAAHO c1nc2sc3c(c2c(N[C@H]2COC[C@@H]2N2CCCCC2)n1)CC[NH2+]C3 ZINC000065396534 205345235 /nfs/dbraw/zinc/34/52/35/205345235.db2.gz HULHOZLKFHVXHF-KBPBESRZSA-N 1 3 359.499 2.002 50 0 FEAAHO Cn1nc(C2CC[NH+](CC3CCN(C)CC3)CC2)n(-c2ccccc2)c1=O ZINC000067640932 205378404 /nfs/dbraw/zinc/37/84/04/205378404.db2.gz YUPFEHBGRUQFTC-UHFFFAOYSA-N 1 3 369.513 2.092 50 0 FEAAHO CN1CCCN(C(=O)c2ccc(CN3CCCC3)o2)CC12CC[NH+](C)CC2 ZINC000067771048 205390060 /nfs/dbraw/zinc/39/00/60/205390060.db2.gz AJKZBYGDQCVGSQ-UHFFFAOYSA-N 1 3 374.529 2.118 50 0 FEAAHO CN1CCC(C(=O)NCCCOC2CC[NH+](C)CC2)(c2ccccc2)CC1 ZINC000244601986 548890607 /nfs/dbraw/zinc/89/06/07/548890607.db2.gz DVRZGQGQBWHXTP-UHFFFAOYSA-N 1 3 373.541 2.267 50 0 FEAAHO COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000248163052 549412928 /nfs/dbraw/zinc/41/29/28/549412928.db2.gz YQJSNAJIQYBABK-WOJBJXKFSA-N 1 3 359.514 2.078 50 0 FEAAHO CN(CCc1ccccc1)C1(C(=O)N2CC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000072149556 541788634 /nfs/dbraw/zinc/78/86/34/541788634.db2.gz PVPJKDMJWOMNCB-NRFANRHFSA-N 1 3 363.505 2.258 50 0 FEAAHO C[NH+]1CCC(N2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)CC1 ZINC000091770299 542825316 /nfs/dbraw/zinc/82/53/16/542825316.db2.gz MKHPJNMRPYHVCF-UHFFFAOYSA-N 1 3 369.517 2.131 50 0 FEAAHO CN(CCCO)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095500434 542974116 /nfs/dbraw/zinc/97/41/16/542974116.db2.gz MWXTXQIEGGFQAU-IBGZPJMESA-N 1 3 350.503 2.117 50 0 FEAAHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000252496834 549670234 /nfs/dbraw/zinc/67/02/34/549670234.db2.gz PSRRDXUCYJKOMZ-LJQANCHMSA-N 1 3 374.529 2.172 50 0 FEAAHO CCN1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C2CCOCC2)CC1 ZINC000011879571 539537199 /nfs/dbraw/zinc/53/71/99/539537199.db2.gz MYEYKUUCHRNLFO-LJQANCHMSA-N 1 3 351.535 2.258 50 0 FEAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(CCOc3ccc(C)cc3C)CC[C@H]21 ZINC000072472860 541818970 /nfs/dbraw/zinc/81/89/70/541818970.db2.gz SXTPNGOCVZTVBE-RBUKOAKNSA-N 1 3 359.514 2.215 50 0 FEAAHO Cn1c(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)cc2ccccc21 ZINC000072453796 541815613 /nfs/dbraw/zinc/81/56/13/541815613.db2.gz QNDUATIOUXJWAT-FXAWDEMLSA-N 1 3 354.498 2.340 50 0 FEAAHO CC(=O)Nc1ccc(CN2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)cc1 ZINC000065492219 205355823 /nfs/dbraw/zinc/35/58/23/205355823.db2.gz RZAPPBCLEKDDED-QGZVFWFLSA-N 1 3 358.530 2.493 50 0 FEAAHO CN(C)CCN1C[C@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1=O ZINC000074215960 542053687 /nfs/dbraw/zinc/05/36/87/542053687.db2.gz XEGZLZFNNMALDM-GOSISDBHSA-N 1 3 372.513 2.021 50 0 FEAAHO COc1cc2c(cc1C[NH+]1CCC(Cn3cc(CN)nn3)CC1)CCC2 ZINC000082039401 522998922 /nfs/dbraw/zinc/99/89/22/522998922.db2.gz BQDPOIVFYFNJGU-UHFFFAOYSA-N 1 3 355.486 2.146 50 0 FEAAHO O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCN(c2ccncc2)CC1 ZINC000584885307 571313576 /nfs/dbraw/zinc/31/35/76/571313576.db2.gz KGOBUHPDJSSDOH-UHFFFAOYSA-N 1 3 357.502 2.035 50 0 FEAAHO COCCNCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012093093 670000741 /nfs/dbraw/zinc/00/07/41/670000741.db2.gz LBDTZPLLKFKNIS-IBGZPJMESA-N 1 3 350.503 2.427 50 0 FEAAHO COCCNCc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012093093 670000745 /nfs/dbraw/zinc/00/07/45/670000745.db2.gz LBDTZPLLKFKNIS-IBGZPJMESA-N 1 3 350.503 2.427 50 0 FEAAHO CCN1CCC[C@H]1CNC(=O)CCC1CC[NH+](C2CCOCC2)CC1 ZINC000011879572 539537700 /nfs/dbraw/zinc/53/77/00/539537700.db2.gz MYEYKUUCHRNLFO-IBGZPJMESA-N 1 3 351.535 2.258 50 0 FEAAHO CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CC[NH+](C(C)C)CC2 ZINC000014746356 539605135 /nfs/dbraw/zinc/60/51/35/539605135.db2.gz OYRKYGDTMLQVNH-UHFFFAOYSA-N 1 3 352.523 2.101 50 0 FEAAHO CC[NH+](CC)CCNC(=O)C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022241653 539692730 /nfs/dbraw/zinc/69/27/30/539692730.db2.gz UMGNSVMQKXBSKB-UHFFFAOYSA-N 1 3 361.486 2.085 50 0 FEAAHO CCCN1CC2(C[C@H]1C(=O)NCCOc1ccccc1)CC[NH+](C)CC2 ZINC000072470094 541818452 /nfs/dbraw/zinc/81/84/52/541818452.db2.gz UYPLEHAYDFKBNO-IBGZPJMESA-N 1 3 359.514 2.378 50 0 FEAAHO CC[NH+]1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000095507327 542976443 /nfs/dbraw/zinc/97/64/43/542976443.db2.gz SAVGOOKCONWHMQ-UHFFFAOYSA-N 1 3 353.894 2.495 50 0 FEAAHO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@H](N2CC=CC2)C1 ZINC000101385245 543027229 /nfs/dbraw/zinc/02/72/29/543027229.db2.gz SUXPSJLNGRLVJE-VQTJNVASSA-N 1 3 354.498 2.479 50 0 FEAAHO COc1cc(C[NH2+]CC(C)(C)OC)ccc1OC[C@H](O)CN1CCCC1 ZINC000012573875 539565647 /nfs/dbraw/zinc/56/56/47/539565647.db2.gz DZWMUZXNRBVKQK-QGZVFWFLSA-N 1 3 366.502 2.045 50 0 FEAAHO Cc1ncc2c(c1CNC(=O)c1ccccc1[C@H]1CC[NH2+]C1)CCNC2 ZINC000072161261 541792313 /nfs/dbraw/zinc/79/23/13/541792313.db2.gz QCMQMSANNXKPAL-HNNXBMFYSA-N 1 3 350.466 2.043 50 0 FEAAHO Cc1nnc(SCCCNC[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)s1 ZINC000063883071 205295040 /nfs/dbraw/zinc/29/50/40/205295040.db2.gz LBFJMXHUTNOCKN-GDBMZVCRSA-N 1 3 356.561 2.298 50 0 FEAAHO Cc1nnc(SCCCNC[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)s1 ZINC000063883071 205295044 /nfs/dbraw/zinc/29/50/44/205295044.db2.gz LBFJMXHUTNOCKN-GDBMZVCRSA-N 1 3 356.561 2.298 50 0 FEAAHO C[C@@H]1C[C@H](N(C)C(=O)CNC[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000237585292 206104993 /nfs/dbraw/zinc/10/49/93/206104993.db2.gz OTMPFKBIDHNECQ-RLLQIKCJSA-N 1 3 359.514 2.267 50 0 FEAAHO C[C@@H]1C[C@H](N(C)C(=O)CNC[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000237585292 206104997 /nfs/dbraw/zinc/10/49/97/206104997.db2.gz OTMPFKBIDHNECQ-RLLQIKCJSA-N 1 3 359.514 2.267 50 0 FEAAHO Cc1cccc(N2CCN(C(=O)[C@H]3CC4(CN3C)CC[NH2+]CC4)CC2)c1C ZINC000072410930 136145504 /nfs/dbraw/zinc/14/55/04/136145504.db2.gz YFIYFQPPGCBDSC-HXUWFJFHSA-N 1 3 370.541 2.026 50 0 FEAAHO c1cc([C@@H]2C[N@@H+](C3CCNCC3)[C@H]3[C@@H]2N2CCC3CC2)cc2c1OCO2 ZINC000095378874 542964779 /nfs/dbraw/zinc/96/47/79/542964779.db2.gz GWNGMTQVEDNSDP-IOMROCGXSA-N 1 3 355.482 2.029 50 0 FEAAHO c1cc([C@@H]2C[N@H+](C3CCNCC3)[C@H]3[C@@H]2N2CCC3CC2)cc2c1OCO2 ZINC000095378874 542964781 /nfs/dbraw/zinc/96/47/81/542964781.db2.gz GWNGMTQVEDNSDP-IOMROCGXSA-N 1 3 355.482 2.029 50 0 FEAAHO CN(C)[C@@H](CNC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000095941566 542983830 /nfs/dbraw/zinc/98/38/30/542983830.db2.gz BWCRJRATABFZQV-UXHICEINSA-N 1 3 360.546 2.212 50 0 FEAAHO CN(C)[C@@H](CNC(=O)CN(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000095941566 542983833 /nfs/dbraw/zinc/98/38/33/542983833.db2.gz BWCRJRATABFZQV-UXHICEINSA-N 1 3 360.546 2.212 50 0 FEAAHO CCC[NH+]1CCC(CCNC(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000426478695 559735344 /nfs/dbraw/zinc/73/53/44/559735344.db2.gz IBMAEHGSJNLORK-UHFFFAOYSA-N 1 3 359.518 2.425 50 0 FEAAHO Cc1cccc2cc(CN3CCC(O)(C[NH+]4CCCC4)CC3)c(=O)[nH]c12 ZINC000067967729 541534296 /nfs/dbraw/zinc/53/42/96/541534296.db2.gz KCGCAMKELPJDAL-UHFFFAOYSA-N 1 3 355.482 2.259 50 0 FEAAHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000097815505 209198354 /nfs/dbraw/zinc/19/83/54/209198354.db2.gz CWMKXPXBXIRRHD-FQEVSTJZSA-N 1 3 371.525 2.268 50 0 FEAAHO COCCN(C)CCN1CC2(CC[NH+](C3CCCCC3)CC2)OC1=O ZINC000072439990 541815166 /nfs/dbraw/zinc/81/51/66/541815166.db2.gz ZNFHDXZWJCOTLO-UHFFFAOYSA-N 1 3 353.507 2.184 50 0 FEAAHO CCc1nccn1[C@@H]1CCCN(C(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000685942549 571102622 /nfs/dbraw/zinc/10/26/22/571102622.db2.gz ORYOCHRRRCDWTO-OAHLLOKOSA-N 1 3 356.474 2.113 50 0 FEAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCCc3ccncc3)C2)CC1 ZINC000019220692 539653556 /nfs/dbraw/zinc/65/35/56/539653556.db2.gz GVEJTRJPULIRCA-LJQANCHMSA-N 1 3 358.530 2.325 50 0 FEAAHO CCC[NH+]1CCC2(CN(CCCN3CCN(C(C)C)CC3)C(=O)O2)CC1 ZINC000072428812 541811592 /nfs/dbraw/zinc/81/15/92/541811592.db2.gz VUNGTRMKFRLFJI-UHFFFAOYSA-N 1 3 366.550 2.099 50 0 FEAAHO [NH3+]CCc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)cc1 ZINC000092065211 209014539 /nfs/dbraw/zinc/01/45/39/209014539.db2.gz RTAVNCUUEKZPPB-TZIWHRDSSA-N 1 3 364.493 2.319 50 0 FEAAHO CCN1CCN(C[C@@H]2CN(c3cc(C)[nH+]c4ccccc43)C[C@@H]2CO)CC1 ZINC000095386469 209044644 /nfs/dbraw/zinc/04/46/44/209044644.db2.gz BJQGJCKZJMGJJN-RTBURBONSA-N 1 3 368.525 2.225 50 0 FEAAHO CC1(C)CCC[N@@H+]1Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 ZINC000095519425 209071930 /nfs/dbraw/zinc/07/19/30/209071930.db2.gz UUVPZPUJFPZSHG-IBGZPJMESA-N 1 3 362.514 2.257 50 0 FEAAHO CC1(C)CCC[N@H+]1Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 ZINC000095519425 209071932 /nfs/dbraw/zinc/07/19/32/209071932.db2.gz UUVPZPUJFPZSHG-IBGZPJMESA-N 1 3 362.514 2.257 50 0 FEAAHO CC[NH+](CC)[C@H]1CCN(c2nc(-c3ccccn3)nc3c2CCNC3)C1 ZINC000091574466 542813437 /nfs/dbraw/zinc/81/34/37/542813437.db2.gz IOSRFZLTQFPJBN-HNNXBMFYSA-N 1 3 352.486 2.105 50 0 FEAAHO C[C@@H]1C[C@H](N(C)C(=O)CNC[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269265438 525414265 /nfs/dbraw/zinc/41/42/65/525414265.db2.gz OTMPFKBIDHNECQ-MISYRCLQSA-N 1 3 359.514 2.267 50 0 FEAAHO C[C@@H]1C[C@H](N(C)C(=O)CNC[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000269265438 525414274 /nfs/dbraw/zinc/41/42/74/525414274.db2.gz OTMPFKBIDHNECQ-MISYRCLQSA-N 1 3 359.514 2.267 50 0 FEAAHO CN1CCC(N(CCc2ccccc2)C(=O)NC[C@H]2CC[N@H+](C)C2)CC1 ZINC000426582763 559738226 /nfs/dbraw/zinc/73/82/26/559738226.db2.gz GLIZPMOZANZXFO-LJQANCHMSA-N 1 3 358.530 2.287 50 0 FEAAHO CN1CCC(N(CCc2ccccc2)C(=O)NC[C@H]2CC[N@@H+](C)C2)CC1 ZINC000426582763 559738227 /nfs/dbraw/zinc/73/82/27/559738227.db2.gz GLIZPMOZANZXFO-LJQANCHMSA-N 1 3 358.530 2.287 50 0 FEAAHO Cc1nc(-c2ccccc2)ncc1CN1CCC(n2cc(C[NH3+])nn2)CC1 ZINC000023153364 539707691 /nfs/dbraw/zinc/70/76/91/539707691.db2.gz YMBOGOJTPUVIKW-UHFFFAOYSA-N 1 3 363.469 2.339 50 0 FEAAHO Cc1cc(C)cc(OCCN(C)C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)c1 ZINC000072408609 541806393 /nfs/dbraw/zinc/80/63/93/541806393.db2.gz GHZAJGDHOUEMDN-LJQANCHMSA-N 1 3 359.514 2.215 50 0 FEAAHO CN1CC2(C[C@@H]1C(=O)NCCOCc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000072475361 541819327 /nfs/dbraw/zinc/81/93/27/541819327.db2.gz XIQMGWNMBMQYDW-QGZVFWFLSA-N 1 3 365.905 2.047 50 0 FEAAHO C[NH+](C)C[C@@]1(O)CCN(Cc2ccccc2OCCN2CCCCC2)C1 ZINC000072477053 541819548 /nfs/dbraw/zinc/81/95/48/541819548.db2.gz PQRBRSRQWWQJIN-NRFANRHFSA-N 1 3 361.530 2.050 50 0 FEAAHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000263338111 524577116 /nfs/dbraw/zinc/57/71/16/524577116.db2.gz ODSKVVCBQSVGLX-GGPKGHCWSA-N 1 3 358.530 2.094 50 0 FEAAHO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C1 ZINC000216062956 548676422 /nfs/dbraw/zinc/67/64/22/548676422.db2.gz WDMVDXOCIZUCLI-JOCHJYFZSA-N 1 3 372.557 2.151 50 0 FEAAHO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C1 ZINC000216062956 548676427 /nfs/dbraw/zinc/67/64/27/548676427.db2.gz WDMVDXOCIZUCLI-JOCHJYFZSA-N 1 3 372.557 2.151 50 0 FEAAHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)nc2onc(C)c21 ZINC000058377915 540841253 /nfs/dbraw/zinc/84/12/53/540841253.db2.gz CWGZFTQLCLSIEG-INIZCTEOSA-N 1 3 373.501 2.328 50 0 FEAAHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)nc2onc(C)c21 ZINC000058377915 540841257 /nfs/dbraw/zinc/84/12/57/540841257.db2.gz CWGZFTQLCLSIEG-INIZCTEOSA-N 1 3 373.501 2.328 50 0 FEAAHO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@H](N2CC=CC2)C1 ZINC000101385250 209225069 /nfs/dbraw/zinc/22/50/69/209225069.db2.gz SUXPSJLNGRLVJE-PMACEKPBSA-N 1 3 354.498 2.479 50 0 FEAAHO C[C@@H](Cn1nc(C2CC[NH2+]CC2)n(Cc2ccccc2)c1=O)N1CCCC1 ZINC000067955444 541532904 /nfs/dbraw/zinc/53/29/04/541532904.db2.gz IJODECRTWWCYHL-KRWDZBQOSA-N 1 3 369.513 2.044 50 0 FEAAHO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2)CC3 ZINC000072412076 541807583 /nfs/dbraw/zinc/80/75/83/541807583.db2.gz WOVDNLUHZWDYMR-FQEVSTJZSA-N 1 3 366.509 2.435 50 0 FEAAHO CC(C)C[N@H+](C)CCN1CC2(CCN([C@H]3CCSC3)CC2)OC1=O ZINC000072480179 541821482 /nfs/dbraw/zinc/82/14/82/541821482.db2.gz LAXWRDDXIUTTFN-INIZCTEOSA-N 1 3 355.548 2.367 50 0 FEAAHO CC(C)C[N@@H+](C)CCN1CC2(CCN([C@H]3CCSC3)CC2)OC1=O ZINC000072480179 541821485 /nfs/dbraw/zinc/82/14/85/541821485.db2.gz LAXWRDDXIUTTFN-INIZCTEOSA-N 1 3 355.548 2.367 50 0 FEAAHO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(c1cc(C)nc(N)n1)CC2 ZINC000091876513 132204164 /nfs/dbraw/zinc/20/41/64/132204164.db2.gz ASKRMLMBLWENBB-UHFFFAOYSA-N 1 3 355.490 2.244 50 0 FEAAHO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(c1cc(C)nc(N)n1)CC2 ZINC000091876513 132204165 /nfs/dbraw/zinc/20/41/65/132204165.db2.gz ASKRMLMBLWENBB-UHFFFAOYSA-N 1 3 355.490 2.244 50 0 FEAAHO O=C(CC1CC[NH+](Cc2ccccc2)CC1)NCCN1CCCC[C@H]1CO ZINC000299802203 553616686 /nfs/dbraw/zinc/61/66/86/553616686.db2.gz YCOKYPLEZAFHFP-NRFANRHFSA-N 1 3 373.541 2.252 50 0 FEAAHO CC(C)(C)C[N@@H+]1CCN(C2CCN(Cc3ccccn3)CC2)C[C@H]1CCO ZINC000104343491 570859143 /nfs/dbraw/zinc/85/91/43/570859143.db2.gz SRVNFTTXZDQRHU-OAQYLSRUSA-N 1 3 374.573 2.461 50 0 FEAAHO CC(C)(C)C[N@H+]1CCN(C2CCN(Cc3ccccn3)CC2)C[C@H]1CCO ZINC000104343491 570859147 /nfs/dbraw/zinc/85/91/47/570859147.db2.gz SRVNFTTXZDQRHU-OAQYLSRUSA-N 1 3 374.573 2.461 50 0 FEAAHO C[C@H](Cn1nc(C2CC[NH2+]CC2)n(Cc2ccccc2)c1=O)N1CCCC1 ZINC000067955446 541533014 /nfs/dbraw/zinc/53/30/14/541533014.db2.gz IJODECRTWWCYHL-QGZVFWFLSA-N 1 3 369.513 2.044 50 0 FEAAHO CN(CCc1ccccc1)C1(C(=O)N[C@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000072161530 541792641 /nfs/dbraw/zinc/79/26/41/541792641.db2.gz CWGAPYNSADUTOL-NRFANRHFSA-N 1 3 363.505 2.177 50 0 FEAAHO CCC[C@H](C(=O)NCCCCCCNC(=O)[C@@H](CCC)[NH+](C)C)N(C)C ZINC000004530321 207025537 /nfs/dbraw/zinc/02/55/37/207025537.db2.gz NPRGXIACRQKLQF-QZTJIDSGSA-N 1 3 370.582 2.240 50 0 FEAAHO CCN1CCN(Cc2ccccc2CNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC000095432804 209049915 /nfs/dbraw/zinc/04/99/15/209049915.db2.gz YAZYADOJEYDAHD-UHFFFAOYSA-N 1 3 360.546 2.171 50 0 FEAAHO CCN1CCN(Cc2ccccc2CNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC000095432804 209049917 /nfs/dbraw/zinc/04/99/17/209049917.db2.gz YAZYADOJEYDAHD-UHFFFAOYSA-N 1 3 360.546 2.171 50 0 FEAAHO CN(C)Cc1csc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000091548744 521939328 /nfs/dbraw/zinc/93/93/28/521939328.db2.gz QFMRWXSPVUAXLL-QZTJIDSGSA-N 1 3 351.560 2.336 50 0 FEAAHO O=C(NCCN1CCCC[C@@H]1CO)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091651107 526310745 /nfs/dbraw/zinc/31/07/45/526310745.db2.gz MUDJGEFCLDRLBE-HXUWFJFHSA-N 1 3 359.514 2.249 50 0 FEAAHO O=C(NCCN1CCC[C@H](CO)C1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299763488 553611662 /nfs/dbraw/zinc/61/16/62/553611662.db2.gz NSBBHROQQJHTHJ-IBGZPJMESA-N 1 3 374.529 2.498 50 0 FEAAHO COc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)c(OCC[NH3+])c1 ZINC000426410411 571221388 /nfs/dbraw/zinc/22/13/88/571221388.db2.gz CEIJCAAFFZUNPS-UHFFFAOYSA-N 1 3 361.486 2.123 50 0 FEAAHO NC(=O)C1(N2CCCCC2)CC[NH+](C[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000063847537 541188387 /nfs/dbraw/zinc/18/83/87/541188387.db2.gz HZIMAFWWNTYHDI-RBUKOAKNSA-N 1 3 362.562 2.057 50 0 FEAAHO [NH3+][C@H]1CCCN(Cc2ccccc2OCCCCN2CCOCC2)CC1 ZINC000097744597 209195014 /nfs/dbraw/zinc/19/50/14/209195014.db2.gz SEUWPAVORKYFTE-FQEVSTJZSA-N 1 3 361.530 2.491 50 0 FEAAHO c1ccc(OCCN2CCCCC2)c(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097495303 209183082 /nfs/dbraw/zinc/18/30/82/209183082.db2.gz IICOJBYWPKZAIM-NRFANRHFSA-N 1 3 372.557 2.031 50 0 FEAAHO c1c(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)nn2c1C[NH2+]CCC2 ZINC000072128469 541785105 /nfs/dbraw/zinc/78/51/05/541785105.db2.gz APHNNKXSXXZCRV-OAQYLSRUSA-N 1 3 365.525 2.052 50 0 FEAAHO CC(C)C[N@H+](C)CCCN1CC2(CCN([C@@H]3CCCOC3)CC2)OC1=O ZINC000072423375 541809773 /nfs/dbraw/zinc/80/97/73/541809773.db2.gz MJPPZSOFMZXLLO-GOSISDBHSA-N 1 3 367.534 2.430 50 0 FEAAHO CC(C)C[N@@H+](C)CCCN1CC2(CCN([C@@H]3CCCOC3)CC2)OC1=O ZINC000072423375 541809777 /nfs/dbraw/zinc/80/97/77/541809777.db2.gz MJPPZSOFMZXLLO-GOSISDBHSA-N 1 3 367.534 2.430 50 0 FEAAHO CN1CCC(N(Cc2ccncc2)C(=O)c2ccc3c(c2)CC[NH2+]C3)CC1 ZINC000072425660 541810712 /nfs/dbraw/zinc/81/07/12/541810712.db2.gz NKRXVTFGMMVCKI-UHFFFAOYSA-N 1 3 364.493 2.464 50 0 FEAAHO COC(C)(C)CNCc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012442408 207377788 /nfs/dbraw/zinc/37/77/88/207377788.db2.gz CSLBGWCDEGBNCC-GOSISDBHSA-N 1 3 350.503 2.427 50 0 FEAAHO COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000034925615 208117043 /nfs/dbraw/zinc/11/70/43/208117043.db2.gz YQJSNAJIQYBABK-PMACEKPBSA-N 1 3 359.514 2.078 50 0 FEAAHO Cc1cc(C)c(C[N@@H+](C)CCc2cnn(C)c2)cc1CN1CCN(C)CC1 ZINC000215484741 548671069 /nfs/dbraw/zinc/67/10/69/548671069.db2.gz VWHRIFZQFUYLIL-UHFFFAOYSA-N 1 3 369.557 2.459 50 0 FEAAHO Cc1cc(C)c(C[N@H+](C)CCc2cnn(C)c2)cc1CN1CCN(C)CC1 ZINC000215484741 548671072 /nfs/dbraw/zinc/67/10/72/548671072.db2.gz VWHRIFZQFUYLIL-UHFFFAOYSA-N 1 3 369.557 2.459 50 0 FEAAHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCN2CCC1CC2 ZINC000375168109 557986521 /nfs/dbraw/zinc/98/65/21/557986521.db2.gz UIOMJLDVAIUYBS-UHFFFAOYSA-N 1 3 374.529 2.397 50 0 FEAAHO CN1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000670444890 571350394 /nfs/dbraw/zinc/35/03/94/571350394.db2.gz ZZKYADXTHKVIOL-OAQYLSRUSA-N 1 3 372.557 2.357 50 0 FEAAHO COCCNCc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012093094 670000822 /nfs/dbraw/zinc/00/08/22/670000822.db2.gz LBDTZPLLKFKNIS-LJQANCHMSA-N 1 3 350.503 2.427 50 0 FEAAHO COCCNCc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012093094 670000825 /nfs/dbraw/zinc/00/08/25/670000825.db2.gz LBDTZPLLKFKNIS-LJQANCHMSA-N 1 3 350.503 2.427 50 0 FEAAHO COc1cc(CNCCOC(C)C)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000015070272 539610820 /nfs/dbraw/zinc/61/08/20/539610820.db2.gz SZUOUQPEESZFGD-GOSISDBHSA-N 1 3 366.502 2.045 50 0 FEAAHO O[C@@]1(CN2CCC(OCc3cccnc3)CC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063870317 541190212 /nfs/dbraw/zinc/19/02/12/541190212.db2.gz QTWMGVSTDFJDJI-NHCUHLMSSA-N 1 3 359.514 2.442 50 0 FEAAHO O[C@@]1(CN2CCC(OCc3cccnc3)CC2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063870317 541190214 /nfs/dbraw/zinc/19/02/14/541190214.db2.gz QTWMGVSTDFJDJI-NHCUHLMSSA-N 1 3 359.514 2.442 50 0 FEAAHO [NH3+][C@@H]1CCCN(Cc2ccccc2OCCCCN2CCOCC2)CC1 ZINC000097744603 209194415 /nfs/dbraw/zinc/19/44/15/209194415.db2.gz SEUWPAVORKYFTE-HXUWFJFHSA-N 1 3 361.530 2.491 50 0 FEAAHO Cc1nc2cc(C)ccn2c1C(=O)N1CCC[C@@H]([N@@H+](C)CCCN(C)C)C1 ZINC000072150388 541789852 /nfs/dbraw/zinc/78/98/52/541789852.db2.gz FCRSAAXNWBPIAD-GOSISDBHSA-N 1 3 371.529 2.439 50 0 FEAAHO Cc1nc2cc(C)ccn2c1C(=O)N1CCC[C@@H]([N@H+](C)CCCN(C)C)C1 ZINC000072150388 541789858 /nfs/dbraw/zinc/78/98/58/541789858.db2.gz FCRSAAXNWBPIAD-GOSISDBHSA-N 1 3 371.529 2.439 50 0 FEAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3cccc4c3OC(C)(C)C4)CC[C@H]21 ZINC000072429877 541812158 /nfs/dbraw/zinc/81/21/58/541812158.db2.gz IKNJOHMCJQUVRN-PKOBYXMFSA-N 1 3 371.525 2.432 50 0 FEAAHO C[N@H+](C[C@@H](O)COc1ccccc1CNCCCO)C1CCCCC1 ZINC000011998518 207333584 /nfs/dbraw/zinc/33/35/84/207333584.db2.gz WKRXUGIGFMVSDU-LJQANCHMSA-N 1 3 350.503 2.163 50 0 FEAAHO C[N@@H+](C[C@@H](O)COc1ccccc1CNCCCO)C1CCCCC1 ZINC000011998518 207333587 /nfs/dbraw/zinc/33/35/87/207333587.db2.gz WKRXUGIGFMVSDU-LJQANCHMSA-N 1 3 350.503 2.163 50 0 FEAAHO CCN1CCC([NH+]2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)CC1 ZINC000091551363 542812488 /nfs/dbraw/zinc/81/24/88/542812488.db2.gz QAWFWZUTUMTATQ-UHFFFAOYSA-N 1 3 373.545 2.141 50 0 FEAAHO CC[NH+](CC)[C@@H]1CCN(c2nc(-c3ccccn3)nc3c2CCNC3)C1 ZINC000091574464 542813443 /nfs/dbraw/zinc/81/34/43/542813443.db2.gz IOSRFZLTQFPJBN-OAHLLOKOSA-N 1 3 352.486 2.105 50 0 FEAAHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(c3)CCO4)CC2)CC1 ZINC000195343395 548628447 /nfs/dbraw/zinc/62/84/47/548628447.db2.gz YZFHQHPKALDTLV-UHFFFAOYSA-N 1 3 358.486 2.302 50 0 FEAAHO CCc1nccn1[C@H]1CCCN(C(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000685942546 571102682 /nfs/dbraw/zinc/10/26/82/571102682.db2.gz ORYOCHRRRCDWTO-HNNXBMFYSA-N 1 3 356.474 2.113 50 0 FEAAHO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)[C@H]3CCCCCN3C)cc2C1 ZINC000082138327 571165363 /nfs/dbraw/zinc/16/53/63/571165363.db2.gz GHTLOGRBAWMGIP-LJQANCHMSA-N 1 3 361.534 2.235 50 0 FEAAHO CC(C)C[N@H+]1CCCn2nc(CNC(=O)[C@H]3CCCCCN3C)cc2C1 ZINC000082138327 571165364 /nfs/dbraw/zinc/16/53/64/571165364.db2.gz GHTLOGRBAWMGIP-LJQANCHMSA-N 1 3 361.534 2.235 50 0 FEAAHO COc1cc(CNCCOC(C)C)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000015070271 211119035 /nfs/dbraw/zinc/11/90/35/211119035.db2.gz SZUOUQPEESZFGD-SFHVURJKSA-N 1 3 366.502 2.045 50 0 FEAAHO O=C([C@@H]1CCCN(C2CC[NH+](CCCn3ccnc3)CC2)C1)N1CCCC1 ZINC000071762085 221369070 /nfs/dbraw/zinc/36/90/70/221369070.db2.gz RKISGYYUCAZHHV-LJQANCHMSA-N 1 3 373.545 2.072 50 0 FEAAHO CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000252496833 549669614 /nfs/dbraw/zinc/66/96/14/549669614.db2.gz PSRRDXUCYJKOMZ-IBGZPJMESA-N 1 3 374.529 2.172 50 0 FEAAHO Cc1ccccc1OC1CCN(C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)CC1 ZINC000072421527 541809453 /nfs/dbraw/zinc/80/94/53/541809453.db2.gz ZCYNJAHGZLDKIZ-LJQANCHMSA-N 1 3 371.525 2.439 50 0 FEAAHO CC(C)C[N@H+](C)CCN1CC2(CCN([C@@H]3CCSC3)CC2)OC1=O ZINC000072480178 541821449 /nfs/dbraw/zinc/82/14/49/541821449.db2.gz LAXWRDDXIUTTFN-MRXNPFEDSA-N 1 3 355.548 2.367 50 0 FEAAHO CC(C)C[N@@H+](C)CCN1CC2(CCN([C@@H]3CCSC3)CC2)OC1=O ZINC000072480178 541821452 /nfs/dbraw/zinc/82/14/52/541821452.db2.gz LAXWRDDXIUTTFN-MRXNPFEDSA-N 1 3 355.548 2.367 50 0 FEAAHO CN1CCC[N@H+](C[C@@H]2CN(Cc3cc4ccccc4o3)C[C@@H]2CO)CC1 ZINC000092038389 542840593 /nfs/dbraw/zinc/84/05/93/542840593.db2.gz DREGSCONBYIGCK-RTBURBONSA-N 1 3 357.498 2.111 50 0 FEAAHO CN1CCC[N@@H+](C[C@@H]2CN(Cc3cc4ccccc4o3)C[C@@H]2CO)CC1 ZINC000092038389 542840598 /nfs/dbraw/zinc/84/05/98/542840598.db2.gz DREGSCONBYIGCK-RTBURBONSA-N 1 3 357.498 2.111 50 0 FEAAHO COCCN1CCC[C@@H](CNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000670464134 571357785 /nfs/dbraw/zinc/35/77/85/571357785.db2.gz OKTKFVSLNUSCRZ-SFHVURJKSA-N 1 3 351.535 2.260 50 0 FEAAHO [NH3+]CCc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)cc1 ZINC000091624694 542816700 /nfs/dbraw/zinc/81/67/00/542816700.db2.gz VOTHXHOHMJMMNK-TZIWHRDSSA-N 1 3 364.493 2.319 50 0 FEAAHO Cc1ccc(-n2nc(CC3CC[NH+](C)CC3)nc2[C@@H]2C[C@@H](O)CN2)c(C)c1 ZINC000096132777 222037695 /nfs/dbraw/zinc/03/76/95/222037695.db2.gz XPYSTDLQJREPFT-MSOLQXFVSA-N 1 3 369.513 2.164 50 0 FEAAHO CN1CC[NH+]([C@H]2CCN(c3ccnc4ccccc43)C[C@H]2CCCO)CC1 ZINC000091616929 536417598 /nfs/dbraw/zinc/41/75/98/536417598.db2.gz BLFIIXCOCMZHCU-NQIIRXRSSA-N 1 3 368.525 2.450 50 0 FEAAHO Nc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCCN(Cc3cccs3)CC2)n1 ZINC000244659522 548891894 /nfs/dbraw/zinc/89/18/94/548891894.db2.gz HEEIDDHNYPYUEI-OKILXGFUSA-N 1 3 358.515 2.037 50 0 FEAAHO CN1C(=O)N=NC1C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1CCNC2 ZINC000685940404 571099758 /nfs/dbraw/zinc/09/97/58/571099758.db2.gz JJEKGMJBOFZZNB-RDTXWAMCSA-N 1 3 355.486 2.058 50 0 FEAAHO CN1CCCN(C[C@H]2CCCN2Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000299800430 210039133 /nfs/dbraw/zinc/03/91/33/210039133.db2.gz SKONMKDHQHHABM-OAQYLSRUSA-N 1 3 356.558 2.411 50 0 FEAAHO CC[NH+]1CCC(N[C@@H]2CC[C@@H]2NC(=O)COc2cccc(Cl)c2)CC1 ZINC000072137204 541785895 /nfs/dbraw/zinc/78/58/95/541785895.db2.gz PMHJFSDRPZPCGF-MSOLQXFVSA-N 1 3 365.905 2.440 50 0 FEAAHO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000072419581 541808269 /nfs/dbraw/zinc/80/82/69/541808269.db2.gz VJWMTHPMDOVVNY-QGZVFWFLSA-N 1 3 360.550 2.075 50 0 FEAAHO [NH3+]CCCN1C(=O)CC[C@H]2CN(Cc3ccc4ccccc4n3)CC[C@H]21 ZINC000072463745 541818041 /nfs/dbraw/zinc/81/80/41/541818041.db2.gz GCAWEILSWLCBSN-FXAWDEMLSA-N 1 3 352.482 2.397 50 0 FEAAHO CC(C)C[N@H+](C)CCCN1CC2(CCN([C@H]3CCOC3)CC2)OC1=O ZINC000072479937 541821829 /nfs/dbraw/zinc/82/18/29/541821829.db2.gz SYQNKRCRONAZMR-KRWDZBQOSA-N 1 3 353.507 2.040 50 0 FEAAHO CC(C)C[N@@H+](C)CCCN1CC2(CCN([C@H]3CCOC3)CC2)OC1=O ZINC000072479937 541821832 /nfs/dbraw/zinc/82/18/32/541821832.db2.gz SYQNKRCRONAZMR-KRWDZBQOSA-N 1 3 353.507 2.040 50 0 FEAAHO Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000071753021 221364244 /nfs/dbraw/zinc/36/42/44/221364244.db2.gz YUWZCCMOFBYQDM-QGZVFWFLSA-N 1 3 361.534 2.261 50 0 FEAAHO Cc1cccc(N2CCN(C(=O)[C@@H]3CC4(CN3C)CC[NH2+]CC4)CC2)c1C ZINC000072410929 136145439 /nfs/dbraw/zinc/14/54/39/136145439.db2.gz YFIYFQPPGCBDSC-FQEVSTJZSA-N 1 3 370.541 2.026 50 0 FEAAHO CN(CCCO)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095500433 542973944 /nfs/dbraw/zinc/97/39/44/542973944.db2.gz MWXTXQIEGGFQAU-LJQANCHMSA-N 1 3 350.503 2.117 50 0 FEAAHO c1ccc(OCCN2CCCCC2)c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097495298 222185721 /nfs/dbraw/zinc/18/57/21/222185721.db2.gz IICOJBYWPKZAIM-OAQYLSRUSA-N 1 3 372.557 2.031 50 0 FEAAHO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000101385259 222273512 /nfs/dbraw/zinc/27/35/12/222273512.db2.gz SUXPSJLNGRLVJE-UXHICEINSA-N 1 3 354.498 2.479 50 0 FEAAHO CCO[C@@H]1C[C@](N)(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1(C)C ZINC000262894965 328898366 /nfs/dbraw/zinc/89/83/66/328898366.db2.gz OYDGIBUJZBVTLU-OPYAIIAOSA-N 1 3 355.482 2.488 50 0 FEAAHO CN1CCN(CCCOc2ccccc2C[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000215258880 548669262 /nfs/dbraw/zinc/66/92/62/548669262.db2.gz BWIHFGUGZZNUND-HXUWFJFHSA-N 1 3 361.530 2.050 50 0 FEAAHO CN1CCN(CCCOc2ccccc2C[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000215258880 548669267 /nfs/dbraw/zinc/66/92/67/548669267.db2.gz BWIHFGUGZZNUND-HXUWFJFHSA-N 1 3 361.530 2.050 50 0 FEAAHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262674815 549837432 /nfs/dbraw/zinc/83/74/32/549837432.db2.gz RALBPLUQMHSEPT-HBGVWJBISA-N 1 3 371.525 2.180 50 0 FEAAHO COc1ccc(C[NH2+]CCSC)cc1OC[C@H](O)CN1CCCCC1 ZINC000012475103 539562187 /nfs/dbraw/zinc/56/21/87/539562187.db2.gz TVUQEGCEGCGKHS-QGZVFWFLSA-N 1 3 368.543 2.373 50 0 FEAAHO CCN(CCNC(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2)c1cccc(C)c1 ZINC000072410975 541807674 /nfs/dbraw/zinc/80/76/74/541807674.db2.gz UUEGJTRJWGDFMV-LJQANCHMSA-N 1 3 358.530 2.011 50 0 FEAAHO CCc1cccc(OCCN(C)C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)c1 ZINC000072418819 541808165 /nfs/dbraw/zinc/80/81/65/541808165.db2.gz OMWPCPHBQBZABG-LJQANCHMSA-N 1 3 359.514 2.160 50 0 FEAAHO CN(C)CCN1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1=O ZINC000074215966 542053639 /nfs/dbraw/zinc/05/36/39/542053639.db2.gz XEGZLZFNNMALDM-SFHVURJKSA-N 1 3 372.513 2.021 50 0 FEAAHO CN(C)[C@H](CNC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000108395601 543288890 /nfs/dbraw/zinc/28/88/90/543288890.db2.gz BWCRJRATABFZQV-VQTJNVASSA-N 1 3 360.546 2.212 50 0 FEAAHO CN(C)[C@H](CNC(=O)CN(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000108395601 543288892 /nfs/dbraw/zinc/28/88/92/543288892.db2.gz BWCRJRATABFZQV-VQTJNVASSA-N 1 3 360.546 2.212 50 0 FEAAHO NC[C@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccc2ccccc2c1 ZINC000262741691 328885871 /nfs/dbraw/zinc/88/58/71/328885871.db2.gz JCFOFTVTOIQJLI-QUCCMNQESA-N 1 3 363.465 2.391 50 0 FEAAHO CCN1CCN(CCOc2ccc(C[N@@H+]3CCC[C@@](C)(O)C3)cc2)CC1 ZINC000216394333 521683458 /nfs/dbraw/zinc/68/34/58/521683458.db2.gz VXDKDHXKMJSCCR-OAQYLSRUSA-N 1 3 361.530 2.050 50 0 FEAAHO CCN1CCN(CCOc2ccc(C[N@H+]3CCC[C@@](C)(O)C3)cc2)CC1 ZINC000216394333 521683462 /nfs/dbraw/zinc/68/34/62/521683462.db2.gz VXDKDHXKMJSCCR-OAQYLSRUSA-N 1 3 361.530 2.050 50 0 FEAAHO CN1CCN(CCCOc2ccccc2C[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000215258832 548670040 /nfs/dbraw/zinc/67/00/40/548670040.db2.gz BWIHFGUGZZNUND-FQEVSTJZSA-N 1 3 361.530 2.050 50 0 FEAAHO CN1CCN(CCCOc2ccccc2C[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000215258832 548670044 /nfs/dbraw/zinc/67/00/44/548670044.db2.gz BWIHFGUGZZNUND-FQEVSTJZSA-N 1 3 361.530 2.050 50 0 FEAAHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238159486 548880554 /nfs/dbraw/zinc/88/05/54/548880554.db2.gz RALBPLUQMHSEPT-NDXORKPFSA-N 1 3 371.525 2.180 50 0 FEAAHO Cc1ncc2c(c1CNC(=O)c1ccccc1[C@@H]1CC[NH2+]C1)CCNC2 ZINC000072161260 541792689 /nfs/dbraw/zinc/79/26/89/541792689.db2.gz QCMQMSANNXKPAL-OAHLLOKOSA-N 1 3 350.466 2.043 50 0 FEAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3ccc4ccccc4n3)CC[C@H]21 ZINC000072439541 541815199 /nfs/dbraw/zinc/81/51/99/541815199.db2.gz MXJSZRHDOGQDCI-FXAWDEMLSA-N 1 3 352.482 2.267 50 0 FEAAHO CCn1c(CN(C)C)nnc1C1CCN(Cc2cccc(CC[NH3+])c2)CC1 ZINC000077406207 542378551 /nfs/dbraw/zinc/37/85/51/542378551.db2.gz NWSLYORPTPGGFP-UHFFFAOYSA-N 1 3 370.545 2.240 50 0 FEAAHO Cc1ncc(CN2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@@H]3CO)n1C ZINC000097797398 222212969 /nfs/dbraw/zinc/21/29/69/222212969.db2.gz ZNRROXCQAUGIMK-LJQANCHMSA-N 1 3 372.513 2.418 50 0 FEAAHO Cc1ncc(CN2CCC3(CC2)CC[N@@H+](Cc2ccoc2)C[C@@H]3CO)n1C ZINC000097797398 222212972 /nfs/dbraw/zinc/21/29/72/222212972.db2.gz ZNRROXCQAUGIMK-LJQANCHMSA-N 1 3 372.513 2.418 50 0 FEAAHO Cc1nnc([C@H]2CC3(CN2CCc2ccccc2)CC[NH+](CCO)CC3)o1 ZINC000257190574 549714418 /nfs/dbraw/zinc/71/44/18/549714418.db2.gz MYTWFWWEEZFAFG-LJQANCHMSA-N 1 3 370.497 2.442 50 0 FEAAHO CCCCN1CCn2nc(CNC(=O)C[N@@H+]3CCCC[C@H]3CC)cc2C1 ZINC000299760983 210010544 /nfs/dbraw/zinc/01/05/44/210010544.db2.gz QJJNLYHNRIDFTG-GOSISDBHSA-N 1 3 361.534 2.380 50 0 FEAAHO CCCCN1CCn2nc(CNC(=O)C[N@H+]3CCCC[C@H]3CC)cc2C1 ZINC000299760983 210010547 /nfs/dbraw/zinc/01/05/47/210010547.db2.gz QJJNLYHNRIDFTG-GOSISDBHSA-N 1 3 361.534 2.380 50 0 FEAAHO CN(CCc1ccccc1)C1(C(=O)NCCC[NH3+])Cc2ccccc2C1 ZINC000072154405 541791069 /nfs/dbraw/zinc/79/10/69/541791069.db2.gz ZNRHECAYCKYJBI-UHFFFAOYSA-N 1 3 351.494 2.164 50 0 FEAAHO CN(CCc1ccccc1)C1(C(=O)N[C@@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000072161529 541792085 /nfs/dbraw/zinc/79/20/85/541792085.db2.gz CWGAPYNSADUTOL-OAQYLSRUSA-N 1 3 363.505 2.177 50 0 FEAAHO CCCN1CC2(C[C@@H]1C(=O)NCCc1ccc(O)cc1)CC[NH+](C)CC2 ZINC000072407142 541805706 /nfs/dbraw/zinc/80/57/06/541805706.db2.gz FRMDHYGMVHBDTG-LJQANCHMSA-N 1 3 359.514 2.247 50 0 FEAAHO Cc1nc(NC2CCN(C[C@@H]3CCCO3)CC2)cc(C2CC[NH2+]CC2)n1 ZINC000067964951 221309186 /nfs/dbraw/zinc/30/91/86/221309186.db2.gz UVSPRPGETARMJY-SFHVURJKSA-N 1 3 359.518 2.307 50 0 FEAAHO Cc1cc(N2CCC([N@H+](C)Cc3ccc4nsnc4c3)CC2)nc(N)n1 ZINC000095370165 132208677 /nfs/dbraw/zinc/20/86/77/132208677.db2.gz GSNWLYOPKWTLMN-UHFFFAOYSA-N 1 3 369.498 2.473 50 0 FEAAHO Cc1cc(N2CCC([N@@H+](C)Cc3ccc4nsnc4c3)CC2)nc(N)n1 ZINC000095370165 132208678 /nfs/dbraw/zinc/20/86/78/132208678.db2.gz GSNWLYOPKWTLMN-UHFFFAOYSA-N 1 3 369.498 2.473 50 0 FEAAHO Cc1cc(N2CCN(C[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)nc(N)n1 ZINC000299794473 132300324 /nfs/dbraw/zinc/30/03/24/132300324.db2.gz KSIQPXZLMFGRKA-LJQANCHMSA-N 1 3 366.513 2.154 50 0 FEAAHO Cc1cc(N2CCN(C[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)nc(N)n1 ZINC000299794473 132300325 /nfs/dbraw/zinc/30/03/25/132300325.db2.gz KSIQPXZLMFGRKA-LJQANCHMSA-N 1 3 366.513 2.154 50 0 FEAAHO COCCN(C)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095500294 542974539 /nfs/dbraw/zinc/97/45/39/542974539.db2.gz AORJXSZNEWEWES-IBGZPJMESA-N 1 3 350.503 2.381 50 0 FEAAHO CN(C)[C@H](CNC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000230247859 548759974 /nfs/dbraw/zinc/75/99/74/548759974.db2.gz BWCRJRATABFZQV-WOJBJXKFSA-N 1 3 360.546 2.212 50 0 FEAAHO CN(C)[C@H](CNC(=O)CN(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000230247859 548759977 /nfs/dbraw/zinc/75/99/77/548759977.db2.gz BWCRJRATABFZQV-WOJBJXKFSA-N 1 3 360.546 2.212 50 0 FEAAHO COC(=O)c1cc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)c[nH]1 ZINC000075108874 542152635 /nfs/dbraw/zinc/15/26/35/542152635.db2.gz MHJGKVXBESCTLU-UHFFFAOYSA-N 1 3 357.454 2.048 50 0 FEAAHO CCn1c(=O)n(CCN(C)C)nc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067895437 221303057 /nfs/dbraw/zinc/30/30/57/221303057.db2.gz XMCDXZFTCKUTSF-SFHVURJKSA-N 1 3 357.502 2.006 50 0 FEAAHO CCn1c(=O)n(CCN(C)C)nc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067895437 221303058 /nfs/dbraw/zinc/30/30/58/221303058.db2.gz XMCDXZFTCKUTSF-SFHVURJKSA-N 1 3 357.502 2.006 50 0 FEAAHO c1ccc(N2CCN(CC[NH+]3CCC(N4CCSCC4)CC3)CC2)cc1 ZINC000244692017 132290285 /nfs/dbraw/zinc/29/02/85/132290285.db2.gz JMZFPFAZZGEHBX-UHFFFAOYSA-N 1 3 374.598 2.322 50 0 FEAAHO CCN1CCN(CCOc2ccc(C[N@@H+]3CCCO[C@@H](C)C3)cc2)CC1 ZINC000215119386 548668701 /nfs/dbraw/zinc/66/87/01/548668701.db2.gz OMDZEPFEHWEPFH-IBGZPJMESA-N 1 3 361.530 2.314 50 0 FEAAHO CCN1CCN(CCOc2ccc(C[N@H+]3CCCO[C@@H](C)C3)cc2)CC1 ZINC000215119386 548668703 /nfs/dbraw/zinc/66/87/03/548668703.db2.gz OMDZEPFEHWEPFH-IBGZPJMESA-N 1 3 361.530 2.314 50 0 FEAAHO CN1CCN(CCC(=O)N2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)CC1 ZINC000219726323 548696014 /nfs/dbraw/zinc/69/60/14/548696014.db2.gz HKNIKSUWJSYTIT-FQEVSTJZSA-N 1 3 358.530 2.049 50 0 FEAAHO CC1CC[NH+](Cc2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)CC1 ZINC000044913806 540144902 /nfs/dbraw/zinc/14/49/02/540144902.db2.gz YMVPZCRIELCLPC-UHFFFAOYSA-N 1 3 372.557 2.286 50 0 FEAAHO Cc1ccc(-c2nc(C(=O)N(CCN(C)C)CC[NH+](C)C)cs2)o1 ZINC000072255159 541796937 /nfs/dbraw/zinc/79/69/37/541796937.db2.gz VPPUTHUMAYJJSL-UHFFFAOYSA-N 1 3 350.488 2.277 50 0 FEAAHO COc1ccccc1/C=C/CN1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1 ZINC000072409863 541806316 /nfs/dbraw/zinc/80/63/16/541806316.db2.gz SSNKEHFSVPUBPX-BBDZXRDTSA-N 1 3 357.498 2.370 50 0 FEAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCCc3ccncc3)C2)CC1 ZINC000019220697 220240561 /nfs/dbraw/zinc/24/05/61/220240561.db2.gz GVEJTRJPULIRCA-IBGZPJMESA-N 1 3 358.530 2.325 50 0 FEAAHO OC[C@H]1C[N@@H+](C2CCN(Cc3ccccc3)CC2)C[C@H]1CN1CCCC1 ZINC000091848933 542828378 /nfs/dbraw/zinc/82/83/78/542828378.db2.gz OHISPUVYTUFACP-NHCUHLMSSA-N 1 3 357.542 2.287 50 0 FEAAHO OC[C@H]1C[N@H+](C2CCN(Cc3ccccc3)CC2)C[C@H]1CN1CCCC1 ZINC000091848933 542828381 /nfs/dbraw/zinc/82/83/81/542828381.db2.gz OHISPUVYTUFACP-NHCUHLMSSA-N 1 3 357.542 2.287 50 0 FEAAHO CCO[C@@H]1C[C@@](N)(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1(C)C ZINC000262894962 328898359 /nfs/dbraw/zinc/89/83/59/328898359.db2.gz OYDGIBUJZBVTLU-DBXWQHBBSA-N 1 3 355.482 2.488 50 0 FEAAHO COCC[NH+]1CCC(CN2CCN(c3ncnc4ccccc43)CC2)CC1 ZINC000072151001 536857666 /nfs/dbraw/zinc/85/76/66/536857666.db2.gz FQSDPLKIFZDRDW-UHFFFAOYSA-N 1 3 369.513 2.110 50 0 FEAAHO COCCN(C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1)C1CCN(C)CC1 ZINC000215353244 548671339 /nfs/dbraw/zinc/67/13/39/548671339.db2.gz FOGBBCAFBRAYHR-LJQANCHMSA-N 1 3 359.514 2.336 50 0 FEAAHO CN1CCN([C@@H]2CC[N@H+](Cc3cccc(-c4ccco4)c3)C[C@H]2O)CC1 ZINC000020419336 539673993 /nfs/dbraw/zinc/67/39/93/539673993.db2.gz WCDWKOVHSIPCPD-WOJBJXKFSA-N 1 3 355.482 2.129 50 0 FEAAHO CN1CCN([C@@H]2CC[N@@H+](Cc3cccc(-c4ccco4)c3)C[C@H]2O)CC1 ZINC000020419336 539673997 /nfs/dbraw/zinc/67/39/97/539673997.db2.gz WCDWKOVHSIPCPD-WOJBJXKFSA-N 1 3 355.482 2.129 50 0 FEAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3cccc(OC(F)F)c3)CC[C@H]21 ZINC000072424712 541810146 /nfs/dbraw/zinc/81/01/46/541810146.db2.gz DOPAVQOIOYMBGW-DOTOQJQBSA-N 1 3 367.440 2.320 50 0 FEAAHO CCCN1CC2(C[C@@H]1C(=O)NCCOc1ccccc1)CC[NH+](C)CC2 ZINC000072470091 541818493 /nfs/dbraw/zinc/81/84/93/541818493.db2.gz UYPLEHAYDFKBNO-LJQANCHMSA-N 1 3 359.514 2.378 50 0 FEAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCC3(O)CCCCC3)C2)CC1 ZINC000012715700 220020918 /nfs/dbraw/zinc/02/09/18/220020918.db2.gz IVQBZHVUWVFLGQ-GOSISDBHSA-N 1 3 365.562 2.383 50 0 FEAAHO CC[NH+](CC)C[C@H](O)COc1ccc(CNCCOC(C)C)cc1OC ZINC000012711101 220018903 /nfs/dbraw/zinc/01/89/03/220018903.db2.gz XFABQJPTVUBBLZ-SFHVURJKSA-N 1 3 368.518 2.291 50 0 FEAAHO CN(C)CCO[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ccccc2F)CC1 ZINC000223570195 132279602 /nfs/dbraw/zinc/27/96/02/132279602.db2.gz ACWQIPHMFMHEGK-UYAOXDASSA-N 1 3 365.493 2.120 50 0 FEAAHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000263338112 524655544 /nfs/dbraw/zinc/65/55/44/524655544.db2.gz ODSKVVCBQSVGLX-NSHGMRRFSA-N 1 3 358.530 2.094 50 0 FEAAHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000263338112 524655550 /nfs/dbraw/zinc/65/55/50/524655550.db2.gz ODSKVVCBQSVGLX-NSHGMRRFSA-N 1 3 358.530 2.094 50 0 FEAAHO COc1ccc(CN2CCC3(C[C@@H](O)CO3)CC2)cc1C[NH+]1CCCC1 ZINC000214997780 548668300 /nfs/dbraw/zinc/66/83/00/548668300.db2.gz IGDXFTLYNVKAGN-LJQANCHMSA-N 1 3 360.498 2.407 50 0 FEAAHO CCN1CCN(CCOc2ccc(C[N@@H+]3CCCO[C@H](C)C3)cc2)CC1 ZINC000215119342 548668447 /nfs/dbraw/zinc/66/84/47/548668447.db2.gz OMDZEPFEHWEPFH-LJQANCHMSA-N 1 3 361.530 2.314 50 0 FEAAHO CCN1CCN(CCOc2ccc(C[N@H+]3CCCO[C@H](C)C3)cc2)CC1 ZINC000215119342 548668452 /nfs/dbraw/zinc/66/84/52/548668452.db2.gz OMDZEPFEHWEPFH-LJQANCHMSA-N 1 3 361.530 2.314 50 0 FEAAHO COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3cc(N)ccn3)cc2)C1 ZINC000426370401 571216133 /nfs/dbraw/zinc/21/61/33/571216133.db2.gz YJPKLTDSUGKXAK-HNNXBMFYSA-N 1 3 354.454 2.029 50 0 FEAAHO COCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-c3cc(N)ccn3)cc2)C1 ZINC000426370401 571216134 /nfs/dbraw/zinc/21/61/34/571216134.db2.gz YJPKLTDSUGKXAK-HNNXBMFYSA-N 1 3 354.454 2.029 50 0 FEAAHO COc1cc(C[NH2+]CC(C)(C)OC)ccc1OC[C@@H](O)CN1CCCC1 ZINC000012573869 220008108 /nfs/dbraw/zinc/00/81/08/220008108.db2.gz DZWMUZXNRBVKQK-KRWDZBQOSA-N 1 3 366.502 2.045 50 0 FEAAHO CC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)CN3CCCC3)CC2)[C@H]1O ZINC000020538112 220333817 /nfs/dbraw/zinc/33/38/17/220333817.db2.gz WUJIVUZDIZLMSK-RTWAWAEBSA-N 1 3 371.525 2.010 50 0 FEAAHO CC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)CN3CCCC3)CC2)[C@H]1O ZINC000020538112 220333822 /nfs/dbraw/zinc/33/38/22/220333822.db2.gz WUJIVUZDIZLMSK-RTWAWAEBSA-N 1 3 371.525 2.010 50 0 FEAAHO CCc1cc(N2CCC([NH2+][C@@H]3CC[C@@H](N)C3)CC2)nc(N2CCCC2)n1 ZINC000095502317 132212189 /nfs/dbraw/zinc/21/21/89/132212189.db2.gz VXZGTCHAIAXDDT-CRAIPNDOSA-N 1 3 358.534 2.077 50 0 FEAAHO COCC[N@H+](C)C[C@@H]1CN(c2ccnc3c(C)c(C)ccc23)C[C@@H]1CO ZINC000091952043 542833916 /nfs/dbraw/zinc/83/39/16/542833916.db2.gz ZERCFRXRUUAWGA-QZTJIDSGSA-N 1 3 357.498 2.475 50 0 FEAAHO COCC[N@@H+](C)C[C@@H]1CN(c2ccnc3c(C)c(C)ccc23)C[C@@H]1CO ZINC000091952043 542833918 /nfs/dbraw/zinc/83/39/18/542833918.db2.gz ZERCFRXRUUAWGA-QZTJIDSGSA-N 1 3 357.498 2.475 50 0 FEAAHO CCN1CCN(C[C@@H]2C[N@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2CO)CC1 ZINC000095353459 542957441 /nfs/dbraw/zinc/95/74/41/542957441.db2.gz UAZMHMGVIZAQJU-FMEUAVTJSA-N 1 3 361.505 2.017 50 0 FEAAHO CCN1CCN(C[C@@H]2C[N@@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2CO)CC1 ZINC000095353459 542957445 /nfs/dbraw/zinc/95/74/45/542957445.db2.gz UAZMHMGVIZAQJU-FMEUAVTJSA-N 1 3 361.505 2.017 50 0 FEAAHO C[NH+]1CCC(C)(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000426369165 263567035 /nfs/dbraw/zinc/56/70/35/263567035.db2.gz JGMYCPGMAIFFSO-IBGZPJMESA-N 1 3 359.514 2.126 50 0 FEAAHO CCc1ccccc1OCCN(C)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072448327 541815952 /nfs/dbraw/zinc/81/59/52/541815952.db2.gz FWZIBKYWQUIZPZ-GOSISDBHSA-N 1 3 359.514 2.160 50 0 FEAAHO CCO[C@@H]1C[C@@](N)(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1(C)C ZINC000262894971 328898318 /nfs/dbraw/zinc/89/83/18/328898318.db2.gz OYDGIBUJZBVTLU-WAOWUJCRSA-N 1 3 355.482 2.488 50 0 FEAAHO NC[C@@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccc2ccccc2c1 ZINC000262741688 549845042 /nfs/dbraw/zinc/84/50/42/549845042.db2.gz JCFOFTVTOIQJLI-AZUAARDMSA-N 1 3 363.465 2.391 50 0 FEAAHO CN1CCC(N(CCc2ccccc2)C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC000426582762 559738293 /nfs/dbraw/zinc/73/82/93/559738293.db2.gz GLIZPMOZANZXFO-IBGZPJMESA-N 1 3 358.530 2.287 50 0 FEAAHO CN1CCC(N(CCc2ccccc2)C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000426582762 559738294 /nfs/dbraw/zinc/73/82/94/559738294.db2.gz GLIZPMOZANZXFO-IBGZPJMESA-N 1 3 358.530 2.287 50 0 FEAAHO CCN(CCN1CCCCCC1)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426420043 571222645 /nfs/dbraw/zinc/22/26/45/571222645.db2.gz UYXRTIRWZGJMQP-SFHVURJKSA-N 1 3 361.534 2.075 50 0 FEAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CSC ZINC000012056169 539541962 /nfs/dbraw/zinc/54/19/62/539541962.db2.gz RTSUTSFXTZOUSP-SFHVURJKSA-N 1 3 371.591 2.021 50 0 FEAAHO Cc1ccc(NC(=O)COc2ccc(C[NH2+]CCCNCCO)cc2)cc1 ZINC000040720750 540010924 /nfs/dbraw/zinc/01/09/24/540010924.db2.gz FOGRSTYMFWPLDM-UHFFFAOYSA-N 1 3 371.481 2.074 50 0 FEAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(CCOc3ccc(Cl)cc3)CC[C@H]21 ZINC000072440508 541814775 /nfs/dbraw/zinc/81/47/75/541814775.db2.gz ZKEJFNOKRPPUIV-MAUKXSAKSA-N 1 3 365.905 2.251 50 0 FEAAHO CCCN1CCC([N@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](NC(C)=O)C2)CC1 ZINC000091350882 542805419 /nfs/dbraw/zinc/80/54/19/542805419.db2.gz HDSJWAUZLVFJKN-LEWJYISDSA-N 1 3 359.514 2.474 50 0 FEAAHO CCCN1CCC([N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](NC(C)=O)C2)CC1 ZINC000091350882 542805424 /nfs/dbraw/zinc/80/54/24/542805424.db2.gz HDSJWAUZLVFJKN-LEWJYISDSA-N 1 3 359.514 2.474 50 0 FEAAHO [NH3+]CCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000095523667 542979655 /nfs/dbraw/zinc/97/96/55/542979655.db2.gz AHQMDVMHBYGYMI-UHFFFAOYSA-N 1 3 367.493 2.461 50 0 FEAAHO CN1CC2(C[C@H]1C(=O)NCCOCc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000072475362 221548671 /nfs/dbraw/zinc/54/86/71/221548671.db2.gz XIQMGWNMBMQYDW-KRWDZBQOSA-N 1 3 365.905 2.047 50 0 FEAAHO COc1ccccc1OC[C@H](C)[NH2+]C1CCN(c2cc(C)nc(N)n2)CC1 ZINC000095365897 537097899 /nfs/dbraw/zinc/09/78/99/537097899.db2.gz HRMXEMPKIJCGMN-HNNXBMFYSA-N 1 3 371.485 2.402 50 0 FEAAHO COCCN(C(=O)c1ccc([C@@H]2CCC[NH2+]2)s1)C1CCN(C)CC1 ZINC000023431101 539714010 /nfs/dbraw/zinc/71/40/10/539714010.db2.gz PWNZAYPLKLLBHS-HNNXBMFYSA-N 1 3 351.516 2.355 50 0 FEAAHO CCN(CCNC(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2)c1cccc(C)c1 ZINC000072410974 541807400 /nfs/dbraw/zinc/80/74/00/541807400.db2.gz UUEGJTRJWGDFMV-IBGZPJMESA-N 1 3 358.530 2.011 50 0 FEAAHO Cn1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)c2cc(F)ccc21 ZINC000072431153 541812753 /nfs/dbraw/zinc/81/27/53/541812753.db2.gz LXIBXVUDQPYVPH-KBXCAEBGSA-N 1 3 358.461 2.089 50 0 FEAAHO CC[N@H+](C)C[C@@H]1CN(C2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]1CO ZINC000091974396 132205151 /nfs/dbraw/zinc/20/51/51/132205151.db2.gz CGQHVGMOMRHPCI-HZPDHXFCSA-N 1 3 367.484 2.426 50 0 FEAAHO CC[N@@H+](C)C[C@@H]1CN(C2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]1CO ZINC000091974396 132205153 /nfs/dbraw/zinc/20/51/53/132205153.db2.gz CGQHVGMOMRHPCI-HZPDHXFCSA-N 1 3 367.484 2.426 50 0 FEAAHO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)OCCO4)CC2)nc(N)n1 ZINC000095385374 132210038 /nfs/dbraw/zinc/21/00/38/132210038.db2.gz LUUXGCYIEKLDNF-CQSZACIVSA-N 1 3 369.469 2.458 50 0 FEAAHO O=C(NCCN1CCCC[C@H]1CO)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091651109 526310787 /nfs/dbraw/zinc/31/07/87/526310787.db2.gz MUDJGEFCLDRLBE-FQEVSTJZSA-N 1 3 359.514 2.249 50 0 FEAAHO Cc1cc(CN2CCN(C)CC2)c(C)c(C[N@H+](C)CCn2cccn2)c1 ZINC000216171344 548676335 /nfs/dbraw/zinc/67/63/35/548676335.db2.gz VVGDFNVQEOBMDG-UHFFFAOYSA-N 1 3 355.530 2.379 50 0 FEAAHO Cc1cc(CN2CCN(C)CC2)c(C)c(C[N@@H+](C)CCn2cccn2)c1 ZINC000216171344 548676337 /nfs/dbraw/zinc/67/63/37/548676337.db2.gz VVGDFNVQEOBMDG-UHFFFAOYSA-N 1 3 355.530 2.379 50 0 FEAAHO CCc1cccc(OCCN(C)C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)c1 ZINC000072418818 541808281 /nfs/dbraw/zinc/80/82/81/541808281.db2.gz OMWPCPHBQBZABG-IBGZPJMESA-N 1 3 359.514 2.160 50 0 FEAAHO COc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072430778 541812874 /nfs/dbraw/zinc/81/28/74/541812874.db2.gz BZPZKYNWVMZAKD-INIZCTEOSA-N 1 3 365.905 2.381 50 0 FEAAHO CN1CCC[C@H]1CCn1nc(C2CC[NH2+]CC2)n(Cc2ccccc2)c1=O ZINC000067908379 221304057 /nfs/dbraw/zinc/30/40/57/221304057.db2.gz MOWZTDGQWGHARO-IBGZPJMESA-N 1 3 369.513 2.044 50 0 FEAAHO CCN1CCC(CNC(=O)[C@H](c2ccc(C)cc2)N(C)C)([NH+](C)C)CC1 ZINC000091270158 542803027 /nfs/dbraw/zinc/80/30/27/542803027.db2.gz QWVRLPWCUVTDRC-IBGZPJMESA-N 1 3 360.546 2.130 50 0 FEAAHO CC[NH+]1CCC(CNC(=O)[C@H](c2ccc(C)cc2)N(C)C)(N(C)C)CC1 ZINC000091270158 542803028 /nfs/dbraw/zinc/80/30/28/542803028.db2.gz QWVRLPWCUVTDRC-IBGZPJMESA-N 1 3 360.546 2.130 50 0 FEAAHO O[C@@H](COc1cccc(C[N@@H+]2CCCCC23CC3)c1)CN1CCC(O)CC1 ZINC000095501658 542975377 /nfs/dbraw/zinc/97/53/77/542975377.db2.gz RAPUDVHQEHPSHR-HXUWFJFHSA-N 1 3 374.525 2.402 50 0 FEAAHO O[C@@H](COc1cccc(C[N@H+]2CCCCC23CC3)c1)CN1CCC(O)CC1 ZINC000095501658 542975381 /nfs/dbraw/zinc/97/53/81/542975381.db2.gz RAPUDVHQEHPSHR-HXUWFJFHSA-N 1 3 374.525 2.402 50 0 FEAAHO C[N@@H+]1CCC2(C1)CCN(Cc1ccccc1OCCN1CCOCC1)CC2 ZINC000215489887 548671643 /nfs/dbraw/zinc/67/16/43/548671643.db2.gz IJDVFKSJXGQTEF-UHFFFAOYSA-N 1 3 373.541 2.315 50 0 FEAAHO C[N@H+]1CCC2(C1)CCN(Cc1ccccc1OCCN1CCOCC1)CC2 ZINC000215489887 548671648 /nfs/dbraw/zinc/67/16/48/548671648.db2.gz IJDVFKSJXGQTEF-UHFFFAOYSA-N 1 3 373.541 2.315 50 0 FEAAHO C[C@@H]1C[C@@H](N(C)C(=O)CNC[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000237564747 548834054 /nfs/dbraw/zinc/83/40/54/548834054.db2.gz OTMPFKBIDHNECQ-HOJAQTOUSA-N 1 3 359.514 2.267 50 0 FEAAHO C[C@@H]1C[C@@H](N(C)C(=O)CNC[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000237564747 548834058 /nfs/dbraw/zinc/83/40/58/548834058.db2.gz OTMPFKBIDHNECQ-HOJAQTOUSA-N 1 3 359.514 2.267 50 0 FEAAHO CN1CCC(CNC(=O)c2cccc(OCC[NH3+])c2)(c2ccccc2)CC1 ZINC000426535383 559737065 /nfs/dbraw/zinc/73/70/65/559737065.db2.gz CCASUBSIHMMJRA-UHFFFAOYSA-N 1 3 367.493 2.418 50 0 FEAAHO Cc1cc(-c2nn(C)c(Cl)c2CNCCNc2cc[nH+]cc2C)no1 ZINC000952969610 681793327 /nfs/dbraw/zinc/79/33/27/681793327.db2.gz MKWSUDFKIRRDQS-UHFFFAOYSA-N 1 3 360.849 2.364 50 0 FEAAHO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](Cn2cc(CN)nn2)C1 ZINC000023506052 539715920 /nfs/dbraw/zinc/71/59/20/539715920.db2.gz LMGGDFZVPCFTEC-KRWDZBQOSA-N 1 3 365.485 2.143 50 0 FEAAHO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](Cn2cc(CN)nn2)C1 ZINC000023506052 539715926 /nfs/dbraw/zinc/71/59/26/539715926.db2.gz LMGGDFZVPCFTEC-KRWDZBQOSA-N 1 3 365.485 2.143 50 0 FEAAHO COCC[N@@H+]1CCC[C@H](C(=O)NCCN2CCC(c3ccccc3)CC2)C1 ZINC000299769388 223088093 /nfs/dbraw/zinc/08/80/93/223088093.db2.gz MUUIZHQZNKWOEX-NRFANRHFSA-N 1 3 373.541 2.341 50 0 FEAAHO COCC[N@H+]1CCC[C@H](C(=O)NCCN2CCC(c3ccccc3)CC2)C1 ZINC000299769388 223088098 /nfs/dbraw/zinc/08/80/98/223088098.db2.gz MUUIZHQZNKWOEX-NRFANRHFSA-N 1 3 373.541 2.341 50 0 FEAAHO [NH3+]CCN1C(=O)CC[C@H]2CN(Cc3cc(-c4ccccc4)no3)CC[C@H]21 ZINC000072475246 541819685 /nfs/dbraw/zinc/81/96/85/541819685.db2.gz HUMAFLUVUVTOSC-QFBILLFUSA-N 1 3 354.454 2.113 50 0 FEAAHO Cc1cc(F)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](CCCO)C1 ZINC000095381960 542965272 /nfs/dbraw/zinc/96/52/72/542965272.db2.gz NODBYBGXIJDILM-CTNGQTDRSA-N 1 3 363.521 2.345 50 0 FEAAHO Cc1cc(F)ccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 ZINC000095381960 542965274 /nfs/dbraw/zinc/96/52/74/542965274.db2.gz NODBYBGXIJDILM-CTNGQTDRSA-N 1 3 363.521 2.345 50 0 FEAAHO Cc1cc(F)ccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 ZINC000095381960 542965277 /nfs/dbraw/zinc/96/52/77/542965277.db2.gz NODBYBGXIJDILM-CTNGQTDRSA-N 1 3 363.521 2.345 50 0 FEAAHO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000095446529 542970361 /nfs/dbraw/zinc/97/03/61/542970361.db2.gz AAEKQVBIEVVTOG-UHFFFAOYSA-N 1 3 350.532 2.397 50 0 FEAAHO CC(C)N1CCN(C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1CCO ZINC000104642277 222359514 /nfs/dbraw/zinc/35/95/14/222359514.db2.gz SJJHZUWTSJEPJS-JOCHJYFZSA-N 1 3 359.558 2.471 50 0 FEAAHO COCCN(C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1)C1CCN(C)CC1 ZINC000215353288 548671701 /nfs/dbraw/zinc/67/17/01/548671701.db2.gz FOGBBCAFBRAYHR-IBGZPJMESA-N 1 3 359.514 2.336 50 0 FEAAHO COCC[N@@H+]1CC[C@@H](CN(C)C(=O)C2(c3ccccc3)CCN(C)CC2)C1 ZINC000220032892 548697953 /nfs/dbraw/zinc/69/79/53/548697953.db2.gz RVWGYJWCXBTFSA-IBGZPJMESA-N 1 3 373.541 2.077 50 0 FEAAHO COCC[N@H+]1CC[C@@H](CN(C)C(=O)C2(c3ccccc3)CCN(C)CC2)C1 ZINC000220032892 548697960 /nfs/dbraw/zinc/69/79/60/548697960.db2.gz RVWGYJWCXBTFSA-IBGZPJMESA-N 1 3 373.541 2.077 50 0 FEAAHO O=C([C@H]1CCCN(C2CC[NH+](CCCn3ccnc3)CC2)C1)N1CCCC1 ZINC000071762084 541771451 /nfs/dbraw/zinc/77/14/51/541771451.db2.gz RKISGYYUCAZHHV-IBGZPJMESA-N 1 3 373.545 2.072 50 0 FEAAHO CN(CCc1ccccc1)C1(C(=O)N2CC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000072149557 541789170 /nfs/dbraw/zinc/78/91/70/541789170.db2.gz PVPJKDMJWOMNCB-OAQYLSRUSA-N 1 3 363.505 2.258 50 0 FEAAHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)nc2onc(C)c21 ZINC000058377914 205273558 /nfs/dbraw/zinc/27/35/58/205273558.db2.gz CWGZFTQLCLSIEG-MRXNPFEDSA-N 1 3 373.501 2.328 50 0 FEAAHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)nc2onc(C)c21 ZINC000058377914 205273562 /nfs/dbraw/zinc/27/35/62/205273562.db2.gz CWGZFTQLCLSIEG-MRXNPFEDSA-N 1 3 373.501 2.328 50 0 FEAAHO Cn1c(CN2CCC(C(=O)NCCC[NH+](C)C)CC2)cc2ccccc21 ZINC000075567762 205578503 /nfs/dbraw/zinc/57/85/03/205578503.db2.gz PZRZQHOCGLOUBG-UHFFFAOYSA-N 1 3 356.514 2.458 50 0 FEAAHO CN(CC(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1)C1CCCC1 ZINC000095352833 542957521 /nfs/dbraw/zinc/95/75/21/542957521.db2.gz HYHHNAGEKXDGRV-QGZVFWFLSA-N 1 3 361.534 2.025 50 0 FEAAHO CSc1ccc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cc1 ZINC000091595428 525993273 /nfs/dbraw/zinc/99/32/73/525993273.db2.gz YFRHDYZQUULYPS-RTBURBONSA-N 1 3 363.571 2.086 50 0 FEAAHO CSc1ccc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)cc1 ZINC000091595428 525993277 /nfs/dbraw/zinc/99/32/77/525993277.db2.gz YFRHDYZQUULYPS-RTBURBONSA-N 1 3 363.571 2.086 50 0 FEAAHO CSc1cccc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c1 ZINC000091586716 526095193 /nfs/dbraw/zinc/09/51/93/526095193.db2.gz VZPZGBVEIFUVJF-RTBURBONSA-N 1 3 363.571 2.086 50 0 FEAAHO CSc1cccc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)c1 ZINC000091586716 526095204 /nfs/dbraw/zinc/09/52/04/526095204.db2.gz VZPZGBVEIFUVJF-RTBURBONSA-N 1 3 363.571 2.086 50 0 FEAAHO CN1CCC(C(=O)NCCC[N@@H+]2CCCC[C@H]2CO)(c2ccccc2)CC1 ZINC000670472093 571047912 /nfs/dbraw/zinc/04/79/12/571047912.db2.gz BLCCPHSKOHUJGS-FQEVSTJZSA-N 1 3 373.541 2.003 50 0 FEAAHO CN1CCC(C(=O)NCCC[N@H+]2CCCC[C@H]2CO)(c2ccccc2)CC1 ZINC000670472093 571047916 /nfs/dbraw/zinc/04/79/16/571047916.db2.gz BLCCPHSKOHUJGS-FQEVSTJZSA-N 1 3 373.541 2.003 50 0 FEAAHO COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3cc(N)ccn3)cc2)C1 ZINC000426370402 571216114 /nfs/dbraw/zinc/21/61/14/571216114.db2.gz YJPKLTDSUGKXAK-OAHLLOKOSA-N 1 3 354.454 2.029 50 0 FEAAHO COCC[N@H+]1CC[C@H](CNC(=O)c2ccc(-c3cc(N)ccn3)cc2)C1 ZINC000426370402 571216115 /nfs/dbraw/zinc/21/61/15/571216115.db2.gz YJPKLTDSUGKXAK-OAHLLOKOSA-N 1 3 354.454 2.029 50 0 FEAAHO CN(C)CCNC(=O)CCC1CC[NH+](C2CSCCSC2)CC1 ZINC000012718525 539570911 /nfs/dbraw/zinc/57/09/11/539570911.db2.gz DCUFKTJQVDVVMM-UHFFFAOYSA-N 1 3 359.605 2.005 50 0 FEAAHO CN1CCN(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000022935181 539703628 /nfs/dbraw/zinc/70/36/28/539703628.db2.gz VTKRZMJKEGYQDF-UHFFFAOYSA-N 1 3 358.530 2.040 50 0 FEAAHO CC(C)C[N@@H+]1CCCN(c2nc(-c3ccncc3)nc3c2CCNC3)CC1 ZINC000071767616 541771879 /nfs/dbraw/zinc/77/18/79/541771879.db2.gz VKFFXQUVDZVVAV-UHFFFAOYSA-N 1 3 366.513 2.352 50 0 FEAAHO CC(C)C[N@H+]1CCCN(c2nc(-c3ccncc3)nc3c2CCNC3)CC1 ZINC000071767616 541771882 /nfs/dbraw/zinc/77/18/82/541771882.db2.gz VKFFXQUVDZVVAV-UHFFFAOYSA-N 1 3 366.513 2.352 50 0 FEAAHO [NH3+]CCN1C(=O)CC[C@H]2CN(Cc3c[nH]nc3C3CCCCC3)CC[C@H]21 ZINC000072480395 541821649 /nfs/dbraw/zinc/82/16/49/541821649.db2.gz IVBZNWRVDJEVNY-FUHWJXTLSA-N 1 3 359.518 2.229 50 0 FEAAHO Cc1ccsc1[C@H](CNc1nc(N(C)C)nc2c1CCNC2)[NH+](C)C ZINC000067673357 205380713 /nfs/dbraw/zinc/38/07/13/205380713.db2.gz CMTCENAKZNQRMZ-HNNXBMFYSA-N 1 3 360.531 2.273 50 0 FEAAHO O=C([C@H]1CCC[N@@H+](C2CCN(C3CCCCC3)CC2)C1)N1CCOCC1 ZINC000082099607 542683652 /nfs/dbraw/zinc/68/36/52/542683652.db2.gz ABOAAIOKNDXXNK-SFHVURJKSA-N 1 3 363.546 2.354 50 0 FEAAHO O=C([C@H]1CCC[N@H+](C2CCN(C3CCCCC3)CC2)C1)N1CCOCC1 ZINC000082099607 542683656 /nfs/dbraw/zinc/68/36/56/542683656.db2.gz ABOAAIOKNDXXNK-SFHVURJKSA-N 1 3 363.546 2.354 50 0 FEAAHO CSc1ccccc1CN1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000092028742 542838509 /nfs/dbraw/zinc/83/85/09/542838509.db2.gz NKFARTLYRITUBN-RTBURBONSA-N 1 3 363.571 2.086 50 0 FEAAHO CSc1ccccc1CN1C[C@H](CO)[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000092028742 542838514 /nfs/dbraw/zinc/83/85/14/542838514.db2.gz NKFARTLYRITUBN-RTBURBONSA-N 1 3 363.571 2.086 50 0 FEAAHO CC1(C)CCC[N@@H+]1Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 ZINC000095519424 542978678 /nfs/dbraw/zinc/97/86/78/542978678.db2.gz UUVPZPUJFPZSHG-LJQANCHMSA-N 1 3 362.514 2.257 50 0 FEAAHO CC1(C)CCC[N@H+]1Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 ZINC000095519424 542978680 /nfs/dbraw/zinc/97/86/80/542978680.db2.gz UUVPZPUJFPZSHG-LJQANCHMSA-N 1 3 362.514 2.257 50 0 FEAAHO Cc1cccc(N2CCN(CCC(=O)N3C[C@H]4CC[C@H](C[N@H+]4C)C3)CC2)c1 ZINC000091486395 524554285 /nfs/dbraw/zinc/55/42/85/524554285.db2.gz VKEPGZQPJAUUFQ-TZIWHRDSSA-N 1 3 370.541 2.060 50 0 FEAAHO Cc1cccc(N2CCN(CCC(=O)N3C[C@H]4CC[C@H](C[N@@H+]4C)C3)CC2)c1 ZINC000091486395 524554294 /nfs/dbraw/zinc/55/42/94/524554294.db2.gz VKEPGZQPJAUUFQ-TZIWHRDSSA-N 1 3 370.541 2.060 50 0 FEAAHO CCc1nnc(NC(=O)CCN2CCCN(c3cc[nH+]c(C)c3)CC2)s1 ZINC000244900003 548899237 /nfs/dbraw/zinc/89/92/37/548899237.db2.gz ZUFFASCJRRXXQM-UHFFFAOYSA-N 1 3 374.514 2.345 50 0 FEAAHO Cc1nnc([C@@H]2CC3(CN2CCc2ccccc2)CC[NH+](CCO)CC3)o1 ZINC000257190570 549714455 /nfs/dbraw/zinc/71/44/55/549714455.db2.gz MYTWFWWEEZFAFG-IBGZPJMESA-N 1 3 370.497 2.442 50 0 FEAAHO O=C(NCC[NH2+]C[C@]1(O)CCCN2CCCC[C@@H]21)c1ccccc1Cl ZINC000063846913 205296557 /nfs/dbraw/zinc/29/65/57/205296557.db2.gz NWMXYLCPVYXQTM-IEBWSBKVSA-N 1 3 365.905 2.039 50 0 FEAAHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000237606921 206105968 /nfs/dbraw/zinc/10/59/68/206105968.db2.gz ODSKVVCBQSVGLX-WSTZPKSXSA-N 1 3 358.530 2.094 50 0 FEAAHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000237606921 206105972 /nfs/dbraw/zinc/10/59/72/206105972.db2.gz ODSKVVCBQSVGLX-WSTZPKSXSA-N 1 3 358.530 2.094 50 0 FEAAHO Nc1nonc1-n1nnc(CNC2CCCCC2)c1C[NH2+]C1CCCCC1 ZINC000004936481 206183557 /nfs/dbraw/zinc/18/35/57/206183557.db2.gz AFPCJXXQCXMCHC-UHFFFAOYSA-N 1 3 374.493 2.077 50 0 FEAAHO COCCN(C)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095500293 542973935 /nfs/dbraw/zinc/97/39/35/542973935.db2.gz AORJXSZNEWEWES-LJQANCHMSA-N 1 3 350.503 2.381 50 0 FEAAHO CN1CCC(Nc2ccc(C(=O)NCC[C@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000015069324 539610964 /nfs/dbraw/zinc/61/09/64/539610964.db2.gz SNTKAFWIJIMSED-GOSISDBHSA-N 1 3 359.518 2.192 50 0 FEAAHO CN1CCC(Nc2ccc(C(=O)NCC[C@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000015069324 539610968 /nfs/dbraw/zinc/61/09/68/539610968.db2.gz SNTKAFWIJIMSED-GOSISDBHSA-N 1 3 359.518 2.192 50 0 FEAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(C/C=C/c3ccccc3OC)CC[C@H]21 ZINC000072440056 541815361 /nfs/dbraw/zinc/81/53/61/541815361.db2.gz URZJXARDAIIOBR-VUTZTEFLSA-N 1 3 357.498 2.241 50 0 FEAAHO Cc1c(F)cccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](CCCO)C1 ZINC000091585890 542813559 /nfs/dbraw/zinc/81/35/59/542813559.db2.gz GTNABNSOPIPFAV-CTNGQTDRSA-N 1 3 363.521 2.345 50 0 FEAAHO Cc1c(F)cccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 ZINC000091585890 542813561 /nfs/dbraw/zinc/81/35/61/542813561.db2.gz GTNABNSOPIPFAV-CTNGQTDRSA-N 1 3 363.521 2.345 50 0 FEAAHO Cc1c(F)cccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 ZINC000091585890 542813565 /nfs/dbraw/zinc/81/35/65/542813565.db2.gz GTNABNSOPIPFAV-CTNGQTDRSA-N 1 3 363.521 2.345 50 0 FEAAHO CCN1CCN(CCOc2ccc(C[N@@H+]3CCC[C@](C)(O)C3)cc2)CC1 ZINC000216394377 521683771 /nfs/dbraw/zinc/68/37/71/521683771.db2.gz VXDKDHXKMJSCCR-NRFANRHFSA-N 1 3 361.530 2.050 50 0 FEAAHO CCN1CCN(CCOc2ccc(C[N@H+]3CCC[C@](C)(O)C3)cc2)CC1 ZINC000216394377 521683773 /nfs/dbraw/zinc/68/37/73/521683773.db2.gz VXDKDHXKMJSCCR-NRFANRHFSA-N 1 3 361.530 2.050 50 0 FEAAHO C[NH+]1CCC(N2CCC(NC(=O)N3CCOc4ccccc4C3)CC2)CC1 ZINC000584884946 571313570 /nfs/dbraw/zinc/31/35/70/571313570.db2.gz BULVITNFXWDMGL-UHFFFAOYSA-N 1 3 372.513 2.149 50 0 FEAAHO C[NH2+]CCOc1cccc(C[C@@H]2CC[C@H](CN3CCSCC3)O2)c1 ZINC000072477694 541820529 /nfs/dbraw/zinc/82/05/29/541820529.db2.gz LURYHHDIRJHHQU-RBUKOAKNSA-N 1 3 350.528 2.424 50 0 FEAAHO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C1 ZINC000216062914 206354933 /nfs/dbraw/zinc/35/49/33/206354933.db2.gz WDMVDXOCIZUCLI-QFIPXVFZSA-N 1 3 372.557 2.151 50 0 FEAAHO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C1 ZINC000216062914 206354936 /nfs/dbraw/zinc/35/49/36/206354936.db2.gz WDMVDXOCIZUCLI-QFIPXVFZSA-N 1 3 372.557 2.151 50 0 FEAAHO CCn1c(CN(C)C)nnc1C1CC[NH+](C2CCN(C(C)C)CC2)CC1 ZINC000077488087 542388303 /nfs/dbraw/zinc/38/83/03/542388303.db2.gz ZIGCNPGXUDWCGE-UHFFFAOYSA-N 1 3 362.566 2.412 50 0 FEAAHO Cn1nc([C@@H]2CCCN(C[C@H]3CC[C@@H]([NH3+])CC3)C2)n(-c2ccccc2)c1=O ZINC000244678741 527557051 /nfs/dbraw/zinc/55/70/51/527557051.db2.gz IJBMCZWOQINHIX-KURKYZTESA-N 1 3 369.513 2.268 50 0 FEAAHO O=C(CC1CC[NH+](Cc2ccccc2)CC1)NCCN1CCCC[C@@H]1CO ZINC000299802206 553616473 /nfs/dbraw/zinc/61/64/73/553616473.db2.gz YCOKYPLEZAFHFP-OAQYLSRUSA-N 1 3 373.541 2.252 50 0 FEAAHO CCCN1CC2(C[C@H]1C(=O)NCCc1ccc(O)cc1)CC[NH+](C)CC2 ZINC000072407143 541805750 /nfs/dbraw/zinc/80/57/50/541805750.db2.gz FRMDHYGMVHBDTG-IBGZPJMESA-N 1 3 359.514 2.247 50 0 FEAAHO [NH3+]CCc1cccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1 ZINC000092078412 542843906 /nfs/dbraw/zinc/84/39/06/542843906.db2.gz IRQOXNCLKJSPFJ-WOJBJXKFSA-N 1 3 364.493 2.319 50 0 FEAAHO CN(C)CCOc1ccccc1-c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000534673127 562540014 /nfs/dbraw/zinc/54/00/14/562540014.db2.gz AZMMDEVLJDPCQE-GOSISDBHSA-N 1 3 353.466 2.467 50 0 FEAAHO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)[C@@H]3CCCCCN3C)cc2C1 ZINC000082138326 571165128 /nfs/dbraw/zinc/16/51/28/571165128.db2.gz GHTLOGRBAWMGIP-IBGZPJMESA-N 1 3 361.534 2.235 50 0 FEAAHO CC(C)C[N@H+]1CCCn2nc(CNC(=O)[C@@H]3CCCCCN3C)cc2C1 ZINC000082138326 571165132 /nfs/dbraw/zinc/16/51/32/571165132.db2.gz GHTLOGRBAWMGIP-IBGZPJMESA-N 1 3 361.534 2.235 50 0 FEAAHO CN1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000670444889 571350457 /nfs/dbraw/zinc/35/04/57/571350457.db2.gz ZZKYADXTHKVIOL-NRFANRHFSA-N 1 3 372.557 2.357 50 0 FEAAHO NCc1cn(C2CC[NH+](Cc3ccc(-c4csnn4)cc3)CC2)nn1 ZINC000023369222 670047595 /nfs/dbraw/zinc/04/75/95/670047595.db2.gz VVOZTNPXMOXKPJ-UHFFFAOYSA-N 1 3 355.471 2.092 50 0 FEAAHO CCC[C@H](C(=O)NCCCCCCNC(=O)[C@H](CCC)N(C)C)[NH+](C)C ZINC000015772438 539623244 /nfs/dbraw/zinc/62/32/44/539623244.db2.gz NPRGXIACRQKLQF-HDICACEKSA-N 1 3 370.582 2.240 50 0 FEAAHO CCC[C@H](C(=O)NCCCCCCNC(=O)[C@H](CCC)[NH+](C)C)N(C)C ZINC000015772438 539623250 /nfs/dbraw/zinc/62/32/50/539623250.db2.gz NPRGXIACRQKLQF-HDICACEKSA-N 1 3 370.582 2.240 50 0 FEAAHO Cc1ccccc1OC1CCN(C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)CC1 ZINC000072421526 541809020 /nfs/dbraw/zinc/80/90/20/541809020.db2.gz ZCYNJAHGZLDKIZ-IBGZPJMESA-N 1 3 371.525 2.439 50 0 FEAAHO CN(C)Cc1cccc([C@H]2N[C@](CO)(c3ccccc3)[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000065429694 205350261 /nfs/dbraw/zinc/35/02/61/205350261.db2.gz TXVFCUPUABZPNE-KAOXLYBCSA-N 1 3 365.521 2.458 50 0 FEAAHO CN(C)Cc1cccc([C@H]2N[C@](CO)(c3ccccc3)[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000065429694 205350265 /nfs/dbraw/zinc/35/02/65/205350265.db2.gz TXVFCUPUABZPNE-KAOXLYBCSA-N 1 3 365.521 2.458 50 0 FEAAHO CN1CCC([NH+]2CCN(Cc3cccc(Cn4cccn4)c3)CC2)CC1 ZINC000216164322 206355945 /nfs/dbraw/zinc/35/59/45/206355945.db2.gz OSSQLXNTQMEYPJ-UHFFFAOYSA-N 1 3 353.514 2.143 50 0 FEAAHO CCO[C@@H]1C[C@](N)(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1(C)C ZINC000262894968 549859758 /nfs/dbraw/zinc/85/97/58/549859758.db2.gz OYDGIBUJZBVTLU-UEXGIBASSA-N 1 3 355.482 2.488 50 0 FEAAHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2ccncc2)C[C@@H](C)O1 ZINC000067452543 541466027 /nfs/dbraw/zinc/46/60/27/541466027.db2.gz LMUDIUAZJNXEKH-IAGOWNOFSA-N 1 3 357.502 2.461 50 0 FEAAHO CCOc1ccc(CN2CCCN(C)C3(CC[NH+](C)CC3)C2)cc1CO ZINC000067872140 541523560 /nfs/dbraw/zinc/52/35/60/541523560.db2.gz RGQGAQCLTOEYDS-UHFFFAOYSA-N 1 3 361.530 2.180 50 0 FEAAHO C[NH2+]CCNC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072163308 541793555 /nfs/dbraw/zinc/79/35/55/541793555.db2.gz KSXSXHYLRGWMSZ-UHFFFAOYSA-N 1 3 351.494 2.034 50 0 FEAAHO COc1ccc(/C=C/CN2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)cc1 ZINC000072425281 541810740 /nfs/dbraw/zinc/81/07/40/541810740.db2.gz IUNPODYOCYWDGA-AMBXGICCSA-N 1 3 357.498 2.370 50 0 FEAAHO CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1nccn1CC)CC[NH+](C)CC2 ZINC000072479955 541821303 /nfs/dbraw/zinc/82/13/03/541821303.db2.gz FSNDPNLQCCORIL-QGZVFWFLSA-N 1 3 361.534 2.058 50 0 FEAAHO O[C@@]1(CNCCc2cnn(-c3ccccc3)c2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063871728 205295229 /nfs/dbraw/zinc/29/52/29/205295229.db2.gz JXTPEGPNBGMUKV-NHCUHLMSSA-N 1 3 354.498 2.384 50 0 FEAAHO O[C@@]1(CNCCc2cnn(-c3ccccc3)c2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063871728 205295233 /nfs/dbraw/zinc/29/52/33/205295233.db2.gz JXTPEGPNBGMUKV-NHCUHLMSSA-N 1 3 354.498 2.384 50 0 FEAAHO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCN(CC3CCCC3)CC2)n1 ZINC000244758093 132291060 /nfs/dbraw/zinc/29/10/60/132291060.db2.gz OSGCRJUEONNEHB-QAQDUYKDSA-N 1 3 359.518 2.140 50 0 FEAAHO Cc1cc(C)c2[nH]c(CN3CCC[C@](O)(C[NH+](C)C)CC3)cc(=O)c2c1 ZINC000091872069 542830047 /nfs/dbraw/zinc/83/00/47/542830047.db2.gz PIVAAERTXBHXJW-OAQYLSRUSA-N 1 3 357.498 2.424 50 0 FEAAHO CCCCN1CCn2nc(CNC(=O)C[N@@H+]3CCCC[C@@H]3CC)cc2C1 ZINC000299760986 553611876 /nfs/dbraw/zinc/61/18/76/553611876.db2.gz QJJNLYHNRIDFTG-SFHVURJKSA-N 1 3 361.534 2.380 50 0 FEAAHO CCCCN1CCn2nc(CNC(=O)C[N@H+]3CCCC[C@@H]3CC)cc2C1 ZINC000299760986 553611878 /nfs/dbraw/zinc/61/18/78/553611878.db2.gz QJJNLYHNRIDFTG-SFHVURJKSA-N 1 3 361.534 2.380 50 0 FEAAHO COc1ccc(CN2CCC3(C[C@H](O)CO3)CC2)cc1C[NH+]1CCCC1 ZINC000214997737 209631412 /nfs/dbraw/zinc/63/14/12/209631412.db2.gz IGDXFTLYNVKAGN-IBGZPJMESA-N 1 3 360.498 2.407 50 0 FEAAHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2ccncc2)C[C@H](C)O1 ZINC000067452541 541466133 /nfs/dbraw/zinc/46/61/33/541466133.db2.gz LMUDIUAZJNXEKH-CALCHBBNSA-N 1 3 357.502 2.461 50 0 FEAAHO CN1CC2(C[C@H]1C(=O)NCC1(COc3ccccc3)CC1)CC[NH2+]CC2 ZINC000072409181 541806698 /nfs/dbraw/zinc/80/66/98/541806698.db2.gz IODGWXYLQJZVEP-SFHVURJKSA-N 1 3 357.498 2.036 50 0 FEAAHO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2)CC3 ZINC000072412077 541807068 /nfs/dbraw/zinc/80/70/68/541807068.db2.gz WOVDNLUHZWDYMR-HXUWFJFHSA-N 1 3 366.509 2.435 50 0 FEAAHO CCCN1CC2(C[C@@H]1C(=O)N1CCc3[nH]nc(CC)c3C1)CC[NH+](C)CC2 ZINC000072411522 541807168 /nfs/dbraw/zinc/80/71/68/541807168.db2.gz IZJIOMSPNBAISL-LJQANCHMSA-N 1 3 373.545 2.053 50 0 FEAAHO Cc1noc2ccc(CN3CC[C@@H]4[C@@H](CCC(=O)N4CCC[NH3+])C3)cc12 ZINC000072474445 541819772 /nfs/dbraw/zinc/81/97/72/541819772.db2.gz QSJJCOLZQMKLBF-FUHWJXTLSA-N 1 3 356.470 2.298 50 0 FEAAHO OC[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1CN1CCCCC1 ZINC000091737266 542822727 /nfs/dbraw/zinc/82/27/27/542822727.db2.gz LJYMQQUNLOUIOL-WOJBJXKFSA-N 1 3 354.498 2.399 50 0 FEAAHO OC[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1CN1CCCCC1 ZINC000091737266 542822728 /nfs/dbraw/zinc/82/27/28/542822728.db2.gz LJYMQQUNLOUIOL-WOJBJXKFSA-N 1 3 354.498 2.399 50 0 FEAAHO [NH3+][C@H]1CC[C@@H](CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)CC1 ZINC000244608587 527413173 /nfs/dbraw/zinc/41/31/73/527413173.db2.gz FFGPSNQEUOIWAH-WOVMCDHWSA-N 1 3 359.518 2.023 50 0 FEAAHO Cn1c(CN2CCCCC2)nnc1C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000077377222 542374856 /nfs/dbraw/zinc/37/48/56/542374856.db2.gz WPLXCDSYOKOKGL-UHFFFAOYSA-N 1 3 360.550 2.075 50 0 FEAAHO Cc1cc(N2CCC([NH2+]Cc3ccc4c(c3)OCCCO4)CC2)nc(N)n1 ZINC000095387015 132210109 /nfs/dbraw/zinc/21/01/09/132210109.db2.gz IMVNSSPKRHQSMO-UHFFFAOYSA-N 1 3 369.469 2.287 50 0 FEAAHO CC(C)N1CCC([NH2+]C[C@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000067675480 541497744 /nfs/dbraw/zinc/49/77/44/541497744.db2.gz NDNULVQUNZPLCQ-JOCHJYFZSA-N 1 3 373.541 2.045 50 0 FEAAHO CCCN1CC2(C[C@H]1C(=O)N(Cc1cnn(C)c1)C1CC1)CC[NH+](C)CC2 ZINC000072475111 541819646 /nfs/dbraw/zinc/81/96/46/541819646.db2.gz MTEGMFIBCUYGFI-IBGZPJMESA-N 1 3 373.545 2.107 50 0 FEAAHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[C@H]3[NH2+]C(C)C)CC2)c1 ZINC000072134556 136142395 /nfs/dbraw/zinc/14/23/95/136142395.db2.gz PJLCNUUICUWNAJ-UXHICEINSA-N 1 3 358.530 2.152 50 0 FEAAHO CN1C[C@H](C[N@H+](C)Cc2ccccc2OCCN2CCCCC2)CC1=O ZINC000215760230 548673250 /nfs/dbraw/zinc/67/32/50/548673250.db2.gz UBBWMYGNWBAEBK-SFHVURJKSA-N 1 3 359.514 2.461 50 0 FEAAHO CN1C[C@H](C[N@@H+](C)Cc2ccccc2OCCN2CCCCC2)CC1=O ZINC000215760230 548673258 /nfs/dbraw/zinc/67/32/58/548673258.db2.gz UBBWMYGNWBAEBK-SFHVURJKSA-N 1 3 359.514 2.461 50 0 FEAAHO CC(C)(C)C[N@@H+]1CCN(C2CCN(Cc3ccccn3)CC2)C[C@@H]1CCO ZINC000020206287 539673235 /nfs/dbraw/zinc/67/32/35/539673235.db2.gz SRVNFTTXZDQRHU-NRFANRHFSA-N 1 3 374.573 2.461 50 0 FEAAHO CC(C)(C)C[N@H+]1CCN(C2CCN(Cc3ccccn3)CC2)C[C@@H]1CCO ZINC000020206287 539673238 /nfs/dbraw/zinc/67/32/38/539673238.db2.gz SRVNFTTXZDQRHU-NRFANRHFSA-N 1 3 374.573 2.461 50 0 FEAAHO O=C(NCCF)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071576033 541768414 /nfs/dbraw/zinc/76/84/14/541768414.db2.gz OGAVQRXRHULCSQ-LJQANCHMSA-N 1 3 373.516 2.416 50 0 FEAAHO c1c(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)nn2c1CNCCC2 ZINC000072164134 541793573 /nfs/dbraw/zinc/79/35/73/541793573.db2.gz DYWJLOGEJUWCIJ-UHFFFAOYSA-N 1 3 365.525 2.052 50 0 FEAAHO c1c(CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)nn2c1CNCCC2 ZINC000072164134 541793576 /nfs/dbraw/zinc/79/35/76/541793576.db2.gz DYWJLOGEJUWCIJ-UHFFFAOYSA-N 1 3 365.525 2.052 50 0 FEAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(CCOc3ccc(C)c(C)c3)CC[C@H]21 ZINC000072429612 541811774 /nfs/dbraw/zinc/81/17/74/541811774.db2.gz OYSHVRRFQPNWHM-AZUAARDMSA-N 1 3 359.514 2.215 50 0 FEAAHO CCc1nc(C)sc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH2+]C)C1 ZINC000072427789 208858333 /nfs/dbraw/zinc/85/83/33/208858333.db2.gz ITLSZCHJQJSBTA-GOEBONIOSA-N 1 3 350.532 2.046 50 0 FEAAHO CN(C)CCO[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000219258461 132273835 /nfs/dbraw/zinc/27/38/35/132273835.db2.gz WNUFFQVBFBWXFB-WOJBJXKFSA-N 1 3 365.493 2.120 50 0 FEAAHO c1cnc(N2CCOCC2)c(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000333067701 554567651 /nfs/dbraw/zinc/56/76/51/554567651.db2.gz OEQZGIBRWMCYDR-UHFFFAOYSA-N 1 3 353.470 2.072 50 0 FEAAHO CC(C)C[N@H+](C)CCCN1CC2(CCN([C@@H]3CCOC3)CC2)OC1=O ZINC000072479936 541821747 /nfs/dbraw/zinc/82/17/47/541821747.db2.gz SYQNKRCRONAZMR-QGZVFWFLSA-N 1 3 353.507 2.040 50 0 FEAAHO CC(C)C[N@@H+](C)CCCN1CC2(CCN([C@@H]3CCOC3)CC2)OC1=O ZINC000072479936 541821749 /nfs/dbraw/zinc/82/17/49/541821749.db2.gz SYQNKRCRONAZMR-QGZVFWFLSA-N 1 3 353.507 2.040 50 0 FEAAHO CCC[C@@H](C(=O)NCCCCCCNC(=O)[C@H](CCC)[NH+](C)C)N(C)C ZINC000004530322 207026393 /nfs/dbraw/zinc/02/63/93/207026393.db2.gz NPRGXIACRQKLQF-ROUUACIJSA-N 1 3 370.582 2.240 50 0 FEAAHO Cc1cc(N2CCC([NH2+]CCCc3ncc[nH]3)CC2)nc(N2CCCC2)n1 ZINC000095515177 132213626 /nfs/dbraw/zinc/21/36/26/132213626.db2.gz FYOXGYYQLLCYJS-UHFFFAOYSA-N 1 3 369.517 2.300 50 0 FEAAHO C[NH+]1CCC(C)(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000426369166 263567378 /nfs/dbraw/zinc/56/73/78/263567378.db2.gz JGMYCPGMAIFFSO-LJQANCHMSA-N 1 3 359.514 2.126 50 0 FEAAHO O=C(CCN[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O)NC1CCCCC1 ZINC000072474248 541818379 /nfs/dbraw/zinc/81/83/79/541818379.db2.gz XRLMOEUWZNKPQN-RTWAWAEBSA-N 1 3 371.525 2.152 50 0 FEAAHO Cn1c(CN2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)cc2cc(F)ccc21 ZINC000072481306 541822290 /nfs/dbraw/zinc/82/22/90/541822290.db2.gz MRQQREZPKFJKOT-IFXJQAMLSA-N 1 3 358.461 2.089 50 0 FEAAHO O[C@H](COc1ccc(C[NH2+]CCCn2cccn2)cc1)CN1CCCCC1 ZINC000011874895 207327335 /nfs/dbraw/zinc/32/73/35/207327335.db2.gz KWOFNKJWZASASS-FQEVSTJZSA-N 1 3 372.513 2.289 50 0 FEAAHO Cc1cc(C)c2[nH]c(CNCCC[N@@H+]3CCC[C@H](CO)C3)cc(=O)c2c1 ZINC000091745533 542822778 /nfs/dbraw/zinc/82/27/78/542822778.db2.gz MIOZOFNQMGJPHO-KRWDZBQOSA-N 1 3 357.498 2.329 50 0 FEAAHO Cc1cc(C)c2[nH]c(CNCCC[N@H+]3CCC[C@H](CO)C3)cc(=O)c2c1 ZINC000091745533 542822780 /nfs/dbraw/zinc/82/27/80/542822780.db2.gz MIOZOFNQMGJPHO-KRWDZBQOSA-N 1 3 357.498 2.329 50 0 FEAAHO C[C@@H]1C[C@@H](N(C)C(=O)CNC[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269265439 525245291 /nfs/dbraw/zinc/24/52/91/525245291.db2.gz OTMPFKBIDHNECQ-YZGWKJHDSA-N 1 3 359.514 2.267 50 0 FEAAHO C[C@@H]1C[C@@H](N(C)C(=O)CNC[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000269265439 525245297 /nfs/dbraw/zinc/24/52/97/525245297.db2.gz OTMPFKBIDHNECQ-YZGWKJHDSA-N 1 3 359.514 2.267 50 0 FEAAHO COCCN1CCC[C@H](CNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000670464133 571357828 /nfs/dbraw/zinc/35/78/28/571357828.db2.gz OKTKFVSLNUSCRZ-GOSISDBHSA-N 1 3 351.535 2.260 50 0 FEAAHO Oc1cccc(CN2CCC([NH2+]C[C@]3(O)CCCN4CCCC[C@@H]43)CC2)c1 ZINC000063856200 541189170 /nfs/dbraw/zinc/18/91/70/541189170.db2.gz NIDMTCYVVRVLJO-FGZHOGPDSA-N 1 3 373.541 2.326 50 0 FEAAHO CN1CCC(O)(C(=O)NCC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000097495390 209182562 /nfs/dbraw/zinc/18/25/62/209182562.db2.gz IGJYLRBULXPAEB-IBGZPJMESA-N 1 3 359.514 2.004 50 0 FEAAHO CN1CCC(O)(C(=O)NCC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000097495390 209182564 /nfs/dbraw/zinc/18/25/64/209182564.db2.gz IGJYLRBULXPAEB-IBGZPJMESA-N 1 3 359.514 2.004 50 0 FEAAHO CCc1ccccc1OCCN(C)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072448324 541815790 /nfs/dbraw/zinc/81/57/90/541815790.db2.gz FWZIBKYWQUIZPZ-SFHVURJKSA-N 1 3 359.514 2.160 50 0 FEAAHO CCC[NH+]1CCC(N[C@@H]2CC[C@@H]2NC(=O)c2ccc(O)c(OC)c2)CC1 ZINC000072419583 208853512 /nfs/dbraw/zinc/85/35/12/208853512.db2.gz GPIXXARTTDXAQX-SJORKVTESA-N 1 3 361.486 2.126 50 0 FEAAHO O=C(NCCN1CCC(CO)CC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299786430 553614311 /nfs/dbraw/zinc/61/43/11/553614311.db2.gz UEJMARSBRGQHJX-HBMCJLEFSA-N 1 3 371.525 2.033 50 0 FEAAHO O=C(NCCN1CCC(CO)CC1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299786430 553614314 /nfs/dbraw/zinc/61/43/14/553614314.db2.gz UEJMARSBRGQHJX-HBMCJLEFSA-N 1 3 371.525 2.033 50 0 FEAAHO C[NH+](C)CCN1CC2(CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)OC1=O ZINC000072426739 541811187 /nfs/dbraw/zinc/81/11/87/541811187.db2.gz TWLBGPDLIORCRX-UHFFFAOYSA-N 1 3 373.457 2.018 50 0 FEAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(C/C=C/c3ccc(OC)cc3)CC[C@H]21 ZINC000072432432 541812776 /nfs/dbraw/zinc/81/27/76/541812776.db2.gz ILIMIYKCWLFUNU-ABQVSZSXSA-N 1 3 357.498 2.241 50 0 FEAAHO CCCN1CC2(C[C@@H]1C(=O)N(Cc1cnn(C)c1)C1CC1)CC[NH+](C)CC2 ZINC000072475110 541819631 /nfs/dbraw/zinc/81/96/31/541819631.db2.gz MTEGMFIBCUYGFI-LJQANCHMSA-N 1 3 373.545 2.107 50 0 FEAAHO CCN(CC)Cc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)c(-c2ccccc2)o1 ZINC000082098887 520744202 /nfs/dbraw/zinc/74/42/02/520744202.db2.gz TZCJZHBDIFFTCK-RTBURBONSA-N 1 3 371.481 2.323 50 0 FEAAHO O[C@@H]1C[C@H]2C[N@@H+](Cc3ccc(CN4CCCCC4)s3)C[C@H]2C[C@@H]1O ZINC000216422979 548677916 /nfs/dbraw/zinc/67/79/16/548677916.db2.gz OUXGETMGYIBRLU-DJDHSFSDSA-N 1 3 350.528 2.298 50 0 FEAAHO O[C@@H]1C[C@H]2C[N@H+](Cc3ccc(CN4CCCCC4)s3)C[C@H]2C[C@@H]1O ZINC000216422979 548677920 /nfs/dbraw/zinc/67/79/20/548677920.db2.gz OUXGETMGYIBRLU-DJDHSFSDSA-N 1 3 350.528 2.298 50 0 FEAAHO COCC[N@@H+]1CC[C@H](CN(C)C(=O)C2(c3ccccc3)CCN(C)CC2)C1 ZINC000220032949 548698276 /nfs/dbraw/zinc/69/82/76/548698276.db2.gz RVWGYJWCXBTFSA-LJQANCHMSA-N 1 3 373.541 2.077 50 0 FEAAHO COCC[N@H+]1CC[C@H](CN(C)C(=O)C2(c3ccccc3)CCN(C)CC2)C1 ZINC000220032949 548698278 /nfs/dbraw/zinc/69/82/78/548698278.db2.gz RVWGYJWCXBTFSA-LJQANCHMSA-N 1 3 373.541 2.077 50 0 FEAAHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2cccnc2)C[C@H](C)O1 ZINC000067452563 541466226 /nfs/dbraw/zinc/46/62/26/541466226.db2.gz WTGOKLFQRMGRQG-CALCHBBNSA-N 1 3 357.502 2.461 50 0 FEAAHO O[C@@]1(C[NH2+]Cc2ccccc2Cn2cccn2)CCCN2CCCC[C@@H]21 ZINC000063833383 212033603 /nfs/dbraw/zinc/03/36/03/212033603.db2.gz MOQOCZCEFNGZCJ-NHCUHLMSSA-N 1 3 354.498 2.400 50 0 FEAAHO Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000072419582 541808475 /nfs/dbraw/zinc/80/84/75/541808475.db2.gz VJWMTHPMDOVVNY-KRWDZBQOSA-N 1 3 360.550 2.075 50 0 FEAAHO CC[NH+]1CCC(N2CCC(c3nnc(CN4CCCC4)n3C)CC2)CC1 ZINC000077470070 542385997 /nfs/dbraw/zinc/38/59/97/542385997.db2.gz FPHAUTKUUYRNAV-UHFFFAOYSA-N 1 3 360.550 2.075 50 0 FEAAHO C[N@H+](C1CCN(C(=O)c2cnccn2)CC1)C1CC(C)(C)NC(C)(C)C1 ZINC000067688715 221271116 /nfs/dbraw/zinc/27/11/16/221271116.db2.gz KWYOYLBLJDBQKX-UHFFFAOYSA-N 1 3 359.518 2.322 50 0 FEAAHO C[N@@H+](C1CCN(C(=O)c2cnccn2)CC1)C1CC(C)(C)NC(C)(C)C1 ZINC000067688715 221271119 /nfs/dbraw/zinc/27/11/19/221271119.db2.gz KWYOYLBLJDBQKX-UHFFFAOYSA-N 1 3 359.518 2.322 50 0 FEAAHO CN(C1CCN(C(=O)c2cnccn2)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067688715 221271121 /nfs/dbraw/zinc/27/11/21/221271121.db2.gz KWYOYLBLJDBQKX-UHFFFAOYSA-N 1 3 359.518 2.322 50 0 FEAAHO O=C(NCCF)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071576031 221352477 /nfs/dbraw/zinc/35/24/77/221352477.db2.gz OGAVQRXRHULCSQ-IBGZPJMESA-N 1 3 373.516 2.416 50 0 FEAAHO CN(C)CCO[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC000220219175 132275409 /nfs/dbraw/zinc/27/54/09/132275409.db2.gz MTSUKEYWECAPGJ-WOJBJXKFSA-N 1 3 365.493 2.120 50 0 FEAAHO CN(C)CCN(C)C[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091997831 542836126 /nfs/dbraw/zinc/83/61/26/542836126.db2.gz JTAGRLMLILDHKY-NHCUHLMSSA-N 1 3 355.526 2.374 50 0 FEAAHO CN(C)CCN(C)C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091997831 542836128 /nfs/dbraw/zinc/83/61/28/542836128.db2.gz JTAGRLMLILDHKY-NHCUHLMSSA-N 1 3 355.526 2.374 50 0 FEAAHO Cc1cccc(N2CCN(CCC(=O)N3CCC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000081306124 524554037 /nfs/dbraw/zinc/55/40/37/524554037.db2.gz GMBZLJYLUIHVIJ-NRFANRHFSA-N 1 3 370.541 2.204 50 0 FEAAHO Cc1cccc(N2CCN(CCC(=O)N3CCC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000081306124 524554046 /nfs/dbraw/zinc/55/40/46/524554046.db2.gz GMBZLJYLUIHVIJ-NRFANRHFSA-N 1 3 370.541 2.204 50 0 FEAAHO C[NH+](C)CCOc1ccccc1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000216335122 548677625 /nfs/dbraw/zinc/67/76/25/548677625.db2.gz CWHCQDXTWOQAQC-HXUWFJFHSA-N 1 3 361.530 2.314 50 0 FEAAHO COCC(=O)N(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000012452904 539560756 /nfs/dbraw/zinc/56/07/56/539560756.db2.gz AEVBYHATIVZEIW-KRWDZBQOSA-N 1 3 365.493 2.074 50 0 FEAAHO C[NH+](C)C[C@]1(O)CCN(Cc2ccccc2OCCN2CCCCC2)C1 ZINC000072477052 541819739 /nfs/dbraw/zinc/81/97/39/541819739.db2.gz PQRBRSRQWWQJIN-OAQYLSRUSA-N 1 3 361.530 2.050 50 0 FEAAHO Cc1nc(NC2CCN(C[C@H]3CCCO3)CC2)cc(C2CC[NH2+]CC2)n1 ZINC000067964952 221309563 /nfs/dbraw/zinc/30/95/63/221309563.db2.gz UVSPRPGETARMJY-GOSISDBHSA-N 1 3 359.518 2.307 50 0 FEAAHO Cc1c[nH+]ccc1N1CCCN(C2CCN(c3ncccn3)CC2)CC1 ZINC000095526097 132214704 /nfs/dbraw/zinc/21/47/04/132214704.db2.gz ZKBIGLFXGFZTDK-UHFFFAOYSA-N 1 3 352.486 2.361 50 0 FEAAHO CN1CCC(O)(C(=O)NCC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000097495392 222185652 /nfs/dbraw/zinc/18/56/52/222185652.db2.gz IGJYLRBULXPAEB-LJQANCHMSA-N 1 3 359.514 2.004 50 0 FEAAHO CN1CCC(O)(C(=O)NCC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000097495392 222185654 /nfs/dbraw/zinc/18/56/54/222185654.db2.gz IGJYLRBULXPAEB-LJQANCHMSA-N 1 3 359.514 2.004 50 0 FEAAHO CN1CCN(CCCOc2ccccc2CN2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000216073836 548676318 /nfs/dbraw/zinc/67/63/18/548676318.db2.gz VQZQSVSPYYEGEM-OAQYLSRUSA-N 1 3 374.573 2.229 50 0 FEAAHO CCc1ccc(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nc1 ZINC000584900548 571316149 /nfs/dbraw/zinc/31/61/49/571316149.db2.gz CQRWZVAQNHPTLW-UHFFFAOYSA-N 1 3 373.545 2.344 50 0 FEAAHO COc1cc(CNCCSC)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012315420 539554529 /nfs/dbraw/zinc/55/45/29/539554529.db2.gz HBBVOBAGXHUISL-INIZCTEOSA-N 1 3 356.532 2.228 50 0 FEAAHO COc1cc(CNCCSC)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012315420 539554532 /nfs/dbraw/zinc/55/45/32/539554532.db2.gz HBBVOBAGXHUISL-INIZCTEOSA-N 1 3 356.532 2.228 50 0 FEAAHO COc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072430777 541812548 /nfs/dbraw/zinc/81/25/48/541812548.db2.gz BZPZKYNWVMZAKD-MRXNPFEDSA-N 1 3 365.905 2.381 50 0 FEAAHO CCCn1ccnc1CNC(=O)[C@@H]1CC2(CN1CCC)CC[NH+](C)CC2 ZINC000072480234 541821399 /nfs/dbraw/zinc/82/13/99/541821399.db2.gz NETCKOIELTWOHE-KRWDZBQOSA-N 1 3 361.534 2.106 50 0 FEAAHO Cc1ccc(CN2CCC(CNc3ncnc4c3CC[NH2+]CC4)CC2)o1 ZINC000072479673 541821847 /nfs/dbraw/zinc/82/18/47/541821847.db2.gz CSDGQQQBHAYVND-UHFFFAOYSA-N 1 3 355.486 2.390 50 0 FEAAHO Cc1ccccc1[C@@H](C(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1)N(C)C ZINC000067947728 221307530 /nfs/dbraw/zinc/30/75/30/221307530.db2.gz FXDJXMSBVAJQHM-FQEVSTJZSA-N 1 3 372.557 2.226 50 0 FEAAHO Cn1c(CN2CCCCCC2)nnc1C1CCN(C2CC[NH2+]CC2)CC1 ZINC000091736627 542822179 /nfs/dbraw/zinc/82/21/79/542822179.db2.gz RNUPFHPNMLTIDE-UHFFFAOYSA-N 1 3 360.550 2.123 50 0 FEAAHO C[NH+](C)CCn1ccnc1C1CCN(C(=O)CN2CCCCCC2)CC1 ZINC000091645551 521822335 /nfs/dbraw/zinc/82/23/35/521822335.db2.gz KSWQQSXXTFDROH-UHFFFAOYSA-N 1 3 361.534 2.027 50 0 FEAAHO CN1CCN(C)C2(CC[NH+](Cc3ccccc3Cn3cccn3)CC2)C1 ZINC000067788316 221286277 /nfs/dbraw/zinc/28/62/77/221286277.db2.gz CPOJDTNWUTXFDK-UHFFFAOYSA-N 1 3 353.514 2.143 50 0 FEAAHO CCn1c(=O)n(CCN(C)C)nc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067895435 221302695 /nfs/dbraw/zinc/30/26/95/221302695.db2.gz XMCDXZFTCKUTSF-GOSISDBHSA-N 1 3 357.502 2.006 50 0 FEAAHO CCn1c(=O)n(CCN(C)C)nc1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067895435 221302698 /nfs/dbraw/zinc/30/26/98/221302698.db2.gz XMCDXZFTCKUTSF-GOSISDBHSA-N 1 3 357.502 2.006 50 0 FEAAHO CN(CC(=O)N1CCC[C@H](c2nccn2CC[NH+](C)C)C1)C1CCCC1 ZINC000095352834 542957595 /nfs/dbraw/zinc/95/75/95/542957595.db2.gz HYHHNAGEKXDGRV-KRWDZBQOSA-N 1 3 361.534 2.025 50 0 FEAAHO COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000101237036 222266804 /nfs/dbraw/zinc/26/68/04/222266804.db2.gz YQJSNAJIQYBABK-UXHICEINSA-N 1 3 359.514 2.078 50 0 FEAAHO CN(C)CCOc1ccccc1-c1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000534673128 562540034 /nfs/dbraw/zinc/54/00/34/562540034.db2.gz AZMMDEVLJDPCQE-SFHVURJKSA-N 1 3 353.466 2.467 50 0 FEAAHO O[C@@H](COc1ccc(C[NH2+]CCCn2cccn2)cc1)CN1CCCCC1 ZINC000011874894 539537624 /nfs/dbraw/zinc/53/76/24/539537624.db2.gz KWOFNKJWZASASS-HXUWFJFHSA-N 1 3 372.513 2.289 50 0 FEAAHO C[C@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2cccnc2)C[C@H](C)O1 ZINC000062252778 210081898 /nfs/dbraw/zinc/08/18/98/210081898.db2.gz WTGOKLFQRMGRQG-IRXDYDNUSA-N 1 3 357.502 2.461 50 0 FEAAHO COc1cc(CNCCSC)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012315421 539554104 /nfs/dbraw/zinc/55/41/04/539554104.db2.gz HBBVOBAGXHUISL-MRXNPFEDSA-N 1 3 356.532 2.228 50 0 FEAAHO COc1cc(CNCCSC)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012315421 539554109 /nfs/dbraw/zinc/55/41/09/539554109.db2.gz HBBVOBAGXHUISL-MRXNPFEDSA-N 1 3 356.532 2.228 50 0 FEAAHO COC1(c2ccccc2)CCN(C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)CC1 ZINC000072409407 541806343 /nfs/dbraw/zinc/80/63/43/541806343.db2.gz CNODCRGTIPIVDE-IBGZPJMESA-N 1 3 371.525 2.225 50 0 FEAAHO CCCN1CC2(C[C@H]1C(=O)NCCCc1ccncc1)CC[NH+](C)CC2 ZINC000072430967 541812789 /nfs/dbraw/zinc/81/27/89/541812789.db2.gz IJHABZXIDCDYJT-IBGZPJMESA-N 1 3 358.530 2.327 50 0 FEAAHO COCCN(C(=O)c1ccc([C@H]2CCC[NH2+]2)s1)C1CCN(C)CC1 ZINC000023431106 211389355 /nfs/dbraw/zinc/38/93/55/211389355.db2.gz PWNZAYPLKLLBHS-OAHLLOKOSA-N 1 3 351.516 2.355 50 0 FEAAHO CN1CCC([N@@H+]2CCN(Cc3cccc4cnccc43)C[C@@H]2CCO)CC1 ZINC000020906662 211299974 /nfs/dbraw/zinc/29/99/74/211299974.db2.gz PUJNROGAXNRZDL-NRFANRHFSA-N 1 3 368.525 2.198 50 0 FEAAHO CN1CCC([N@H+]2CCN(Cc3cccc4cnccc43)C[C@@H]2CCO)CC1 ZINC000020906662 211299976 /nfs/dbraw/zinc/29/99/76/211299976.db2.gz PUJNROGAXNRZDL-NRFANRHFSA-N 1 3 368.525 2.198 50 0 FEAAHO C[NH+]1CCC(N2CCN(Cc3cccc4cnccc43)C[C@@H]2CCO)CC1 ZINC000020906662 211299981 /nfs/dbraw/zinc/29/99/81/211299981.db2.gz PUJNROGAXNRZDL-NRFANRHFSA-N 1 3 368.525 2.198 50 0 FEAAHO O=C(NCc1cccnc1)[C@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC000019218918 211206650 /nfs/dbraw/zinc/20/66/50/211206650.db2.gz DTLZGYBKCCKNCI-IBGZPJMESA-N 1 3 356.514 2.284 50 0 FEAAHO COCCNC(=O)[C@@H]1CCCN(C2CC[NH+](CCC=C(C)C)CC2)C1 ZINC000071714752 221354751 /nfs/dbraw/zinc/35/47/51/221354751.db2.gz LDKHMQNPRUJHST-GOSISDBHSA-N 1 3 351.535 2.282 50 0 FEAAHO CC(C)[NH+]1CCC(N2CCN(C3CCSCC3)C[C@H]2CCO)CC1 ZINC000104364230 222355727 /nfs/dbraw/zinc/35/57/27/222355727.db2.gz LRAIQUWIBQGROO-LJQANCHMSA-N 1 3 355.592 2.123 50 0 FEAAHO CN1CCC(C(=O)NCCC[N@@H+]2CCCC[C@@H]2CO)(c2ccccc2)CC1 ZINC000670472094 571048078 /nfs/dbraw/zinc/04/80/78/571048078.db2.gz BLCCPHSKOHUJGS-HXUWFJFHSA-N 1 3 373.541 2.003 50 0 FEAAHO CN1CCC(C(=O)NCCC[N@H+]2CCCC[C@@H]2CO)(c2ccccc2)CC1 ZINC000670472094 571048082 /nfs/dbraw/zinc/04/80/82/571048082.db2.gz BLCCPHSKOHUJGS-HXUWFJFHSA-N 1 3 373.541 2.003 50 0 FEAAHO CN(C)CCN(Cc1ccsc1)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063848013 212033289 /nfs/dbraw/zinc/03/32/89/212033289.db2.gz UFGZMEGQTLVAHZ-RTBURBONSA-N 1 3 351.560 2.491 50 0 FEAAHO CN(C)CCN(Cc1ccsc1)C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063848013 212033293 /nfs/dbraw/zinc/03/32/93/212033293.db2.gz UFGZMEGQTLVAHZ-RTBURBONSA-N 1 3 351.560 2.491 50 0 FEAAHO CCCN1CC2(C[C@H]1C(=O)N1CCc3[nH]nc(CC)c3C1)CC[NH+](C)CC2 ZINC000072411523 541807144 /nfs/dbraw/zinc/80/71/44/541807144.db2.gz IZJIOMSPNBAISL-IBGZPJMESA-N 1 3 373.545 2.053 50 0 FEAAHO COc1ccc(CCNC(=[NH2+])NCc2ccc(OCCN(C)C)cc2)cc1 ZINC000058342022 212004310 /nfs/dbraw/zinc/00/43/10/212004310.db2.gz GOZABXDUNPMVFH-UHFFFAOYSA-N 1 3 370.497 2.492 50 0 FEAAHO Cc1ccsc1[C@@H](CNc1nc(N(C)C)nc2c1CCNC2)[NH+](C)C ZINC000067673356 221267389 /nfs/dbraw/zinc/26/73/89/221267389.db2.gz CMTCENAKZNQRMZ-OAHLLOKOSA-N 1 3 360.531 2.273 50 0 FEAAHO Cc1c[nH]c(CN(C)C(=O)[C@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000071753022 221364129 /nfs/dbraw/zinc/36/41/29/221364129.db2.gz YUWZCCMOFBYQDM-KRWDZBQOSA-N 1 3 361.534 2.261 50 0 FEAAHO CCN1CCC(CNC(=O)[C@@H](c2ccc(C)cc2)N(C)C)([NH+](C)C)CC1 ZINC000091270157 542803198 /nfs/dbraw/zinc/80/31/98/542803198.db2.gz QWVRLPWCUVTDRC-LJQANCHMSA-N 1 3 360.546 2.130 50 0 FEAAHO CC[NH+]1CCC(CNC(=O)[C@@H](c2ccc(C)cc2)N(C)C)(N(C)C)CC1 ZINC000091270157 542803200 /nfs/dbraw/zinc/80/32/00/542803200.db2.gz QWVRLPWCUVTDRC-LJQANCHMSA-N 1 3 360.546 2.130 50 0 FEAAHO CN1CCN(CCC(=O)N2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)CC1 ZINC000219726396 548696634 /nfs/dbraw/zinc/69/66/34/548696634.db2.gz HKNIKSUWJSYTIT-HXUWFJFHSA-N 1 3 358.530 2.049 50 0 FEAAHO NC[C@@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccc2ccccc2c1 ZINC000262741692 549844928 /nfs/dbraw/zinc/84/49/28/549844928.db2.gz JCFOFTVTOIQJLI-UYAOXDASSA-N 1 3 363.465 2.391 50 0 FEAAHO O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(c2ccncc2)CC1 ZINC000584894053 571315079 /nfs/dbraw/zinc/31/50/79/571315079.db2.gz SOGVYLAKOGMGSX-KRWDZBQOSA-N 1 3 357.502 2.178 50 0 FEAAHO O=C(NC[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCN(c2ccncc2)CC1 ZINC000584894053 571315080 /nfs/dbraw/zinc/31/50/80/571315080.db2.gz SOGVYLAKOGMGSX-KRWDZBQOSA-N 1 3 357.502 2.178 50 0 FEAAHO c1c(CN2CCN([C@H]3CCc4ccccc4C3)CC2)nn2c1C[NH2+]CCC2 ZINC000072128468 541785210 /nfs/dbraw/zinc/78/52/10/541785210.db2.gz APHNNKXSXXZCRV-NRFANRHFSA-N 1 3 365.525 2.052 50 0 FEAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1nccn1CC)CC[NH+](C)CC2 ZINC000072479956 541821610 /nfs/dbraw/zinc/82/16/10/541821610.db2.gz FSNDPNLQCCORIL-KRWDZBQOSA-N 1 3 361.534 2.058 50 0 FEAAHO [NH3+]CCN1C(=O)CC[C@H]2CN(Cc3ccc4cccc(F)c4n3)CC[C@H]21 ZINC000072481092 541822793 /nfs/dbraw/zinc/82/27/93/541822793.db2.gz KNZWNJPIVDQICA-MAUKXSAKSA-N 1 3 356.445 2.146 50 0 FEAAHO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)OCCO4)CC2)nc(N)n1 ZINC000095385373 132210011 /nfs/dbraw/zinc/21/00/11/132210011.db2.gz LUUXGCYIEKLDNF-AWEZNQCLSA-N 1 3 369.469 2.458 50 0 FEAAHO CN(CC[NH+](C)C)C[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@@H]1CO ZINC000091860463 542829052 /nfs/dbraw/zinc/82/90/52/542829052.db2.gz PARPIICOFNBXCU-HZPDHXFCSA-N 1 3 357.901 2.013 50 0 FEAAHO CN1CC[NH+]([C@H]2CCN(Cc3ccc4[nH]ccc4c3)C[C@H]2CCCO)CC1 ZINC000091973696 542834659 /nfs/dbraw/zinc/83/46/59/542834659.db2.gz CUXONFGLCYVUTF-IRLDBZIGSA-N 1 3 370.541 2.378 50 0 FEAAHO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000101385254 222272604 /nfs/dbraw/zinc/27/26/04/222272604.db2.gz SUXPSJLNGRLVJE-WOJBJXKFSA-N 1 3 354.498 2.479 50 0 FEAAHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262674814 526743708 /nfs/dbraw/zinc/74/37/08/526743708.db2.gz RALBPLUQMHSEPT-DQLDELGASA-N 1 3 371.525 2.180 50 0 FEAAHO CCc1cc(CNC(=O)[C@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)on1 ZINC000011817240 539536389 /nfs/dbraw/zinc/53/63/89/539536389.db2.gz NCZNPASLEPLDAX-INIZCTEOSA-N 1 3 362.518 2.438 50 0 FEAAHO COCC[N@@H+]1CCC[C@@H](C(=O)NCCN2CCC(c3ccccc3)CC2)C1 ZINC000299769391 210017786 /nfs/dbraw/zinc/01/77/86/210017786.db2.gz MUUIZHQZNKWOEX-OAQYLSRUSA-N 1 3 373.541 2.341 50 0 FEAAHO COCC[N@H+]1CCC[C@@H](C(=O)NCCN2CCC(c3ccccc3)CC2)C1 ZINC000299769391 210017789 /nfs/dbraw/zinc/01/77/89/210017789.db2.gz MUUIZHQZNKWOEX-OAQYLSRUSA-N 1 3 373.541 2.341 50 0 FEAAHO COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000034925614 539978364 /nfs/dbraw/zinc/97/83/64/539978364.db2.gz YQJSNAJIQYBABK-VQTJNVASSA-N 1 3 359.514 2.078 50 0 FEAAHO CN(Cc1cc2n(n1)CCCNC2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072168625 541795019 /nfs/dbraw/zinc/79/50/19/541795019.db2.gz KYTMRMXKWBUWQX-IBGZPJMESA-N 1 3 353.514 2.330 50 0 FEAAHO CN(Cc1cc2n(n1)CCCNC2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072168625 541795022 /nfs/dbraw/zinc/79/50/22/541795022.db2.gz KYTMRMXKWBUWQX-IBGZPJMESA-N 1 3 353.514 2.330 50 0 FEAAHO CC(C)C[N@H+](C)CCCN1CC2(CCN([C@H]3CCCOC3)CC2)OC1=O ZINC000072423377 541810017 /nfs/dbraw/zinc/81/00/17/541810017.db2.gz MJPPZSOFMZXLLO-SFHVURJKSA-N 1 3 367.534 2.430 50 0 FEAAHO CC(C)C[N@@H+](C)CCCN1CC2(CCN([C@H]3CCCOC3)CC2)OC1=O ZINC000072423377 541810020 /nfs/dbraw/zinc/81/00/20/541810020.db2.gz MJPPZSOFMZXLLO-SFHVURJKSA-N 1 3 367.534 2.430 50 0 FEAAHO CC[NH+](CC)C[C@@H](O)COc1ccc(CNCCSC)cc1OC ZINC000015067319 211117856 /nfs/dbraw/zinc/11/78/56/211117856.db2.gz QTTQKOYYNWLERB-MRXNPFEDSA-N 1 3 356.532 2.229 50 0 FEAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3c[nH]nc3C3CCCCC3)CC[C@H]21 ZINC000077406274 542378693 /nfs/dbraw/zinc/37/86/93/542378693.db2.gz NNBSNTQYPIHJMQ-PKOBYXMFSA-N 1 3 373.545 2.490 50 0 FEAAHO CN(C)[C@@H](CNC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000095941567 542983631 /nfs/dbraw/zinc/98/36/31/542983631.db2.gz BWCRJRATABFZQV-PMACEKPBSA-N 1 3 360.546 2.212 50 0 FEAAHO CN(C)[C@@H](CNC(=O)CN(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000095941567 542983633 /nfs/dbraw/zinc/98/36/33/542983633.db2.gz BWCRJRATABFZQV-PMACEKPBSA-N 1 3 360.546 2.212 50 0 FEAAHO Cn1c(COc2ccc(CN3CCCC3)cc2F)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244734832 548893770 /nfs/dbraw/zinc/89/37/70/548893770.db2.gz NMOWUTFLAKFLGK-GASCZTMLSA-N 1 3 359.449 2.334 50 0 FEAAHO COc1ccc(C[NH2+]CCSC)cc1OC[C@@H](O)CN1CCCCC1 ZINC000012475097 220000107 /nfs/dbraw/zinc/00/01/07/220000107.db2.gz TVUQEGCEGCGKHS-KRWDZBQOSA-N 1 3 368.543 2.373 50 0 FEAAHO CCn1c(CN2CCCC2)nnc1C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000082107625 542684292 /nfs/dbraw/zinc/68/42/92/542684292.db2.gz YAGFQLBIYWUTRQ-UHFFFAOYSA-N 1 3 360.550 2.167 50 0 FEAAHO CN(C)CCOc1ccc(C[NH2+]C2CCN(c3ncccn3)CC2)cc1 ZINC000048712981 535905204 /nfs/dbraw/zinc/90/52/04/535905204.db2.gz JNYKFIGPXSUFEO-UHFFFAOYSA-N 1 3 355.486 2.176 50 0 FEAAHO CCN1CCN(CCOc2ccc(C[NH+]3CCC(OC)CC3)cc2)CC1 ZINC000216228241 548675912 /nfs/dbraw/zinc/67/59/12/548675912.db2.gz LGKMJKXTLOKMNA-UHFFFAOYSA-N 1 3 361.530 2.314 50 0 FEAAHO O=C(NCCN1CCCCC1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000426490044 559735806 /nfs/dbraw/zinc/73/58/06/559735806.db2.gz JJTKBGCWOFOHHB-UHFFFAOYSA-N 1 3 370.541 2.357 50 0 FEAAHO O=C(NCCN1CCCCC1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000426490044 559735807 /nfs/dbraw/zinc/73/58/07/559735807.db2.gz JJTKBGCWOFOHHB-UHFFFAOYSA-N 1 3 370.541 2.357 50 0 FEAAHO O=C(NCCN1CCC[C@@H](CO)C1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299763492 223086427 /nfs/dbraw/zinc/08/64/27/223086427.db2.gz NSBBHROQQJHTHJ-LJQANCHMSA-N 1 3 374.529 2.498 50 0 FEAAHO CCCn1ccnc1CNC(=O)[C@H]1CC2(CN1CCC)CC[NH+](C)CC2 ZINC000072480235 541821345 /nfs/dbraw/zinc/82/13/45/541821345.db2.gz NETCKOIELTWOHE-QGZVFWFLSA-N 1 3 361.534 2.106 50 0 FEAAHO CC(C)N1CCC([NH2+]C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000067675481 221268840 /nfs/dbraw/zinc/26/88/40/221268840.db2.gz NDNULVQUNZPLCQ-QFIPXVFZSA-N 1 3 373.541 2.045 50 0 FEAAHO COCCN(C)C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000091460867 542808966 /nfs/dbraw/zinc/80/89/66/542808966.db2.gz QIDQPCVTONNJGT-MOPGFXCFSA-N 1 3 357.498 2.243 50 0 FEAAHO COCCN(C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000091460867 542808969 /nfs/dbraw/zinc/80/89/69/542808969.db2.gz QIDQPCVTONNJGT-MOPGFXCFSA-N 1 3 357.498 2.243 50 0 FEAAHO Cc1cc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)ccc1F ZINC000091434318 524706348 /nfs/dbraw/zinc/70/63/48/524706348.db2.gz IEDVWOFSTQFTMV-CTNGQTDRSA-N 1 3 363.521 2.345 50 0 FEAAHO Cc1cc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)ccc1F ZINC000091434318 524706356 /nfs/dbraw/zinc/70/63/56/524706356.db2.gz IEDVWOFSTQFTMV-CTNGQTDRSA-N 1 3 363.521 2.345 50 0 FEAAHO C[NH+](C)CCOc1ccccc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000216335173 548677663 /nfs/dbraw/zinc/67/76/63/548677663.db2.gz CWHCQDXTWOQAQC-FQEVSTJZSA-N 1 3 361.530 2.314 50 0 FEAAHO NC[C@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccc2ccccc2c1 ZINC000262741690 549844935 /nfs/dbraw/zinc/84/49/35/549844935.db2.gz JCFOFTVTOIQJLI-ICSRJNTNSA-N 1 3 363.465 2.391 50 0 FEAAHO COCC(=O)N(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000012452899 539561030 /nfs/dbraw/zinc/56/10/30/539561030.db2.gz AEVBYHATIVZEIW-QGZVFWFLSA-N 1 3 365.493 2.074 50 0 FEAAHO CN1CCC[C@@H]1CCn1nc(C2CC[NH2+]CC2)n(Cc2ccccc2)c1=O ZINC000067908377 221304648 /nfs/dbraw/zinc/30/46/48/221304648.db2.gz MOWZTDGQWGHARO-LJQANCHMSA-N 1 3 369.513 2.044 50 0 FEAAHO O=C([C@@H]1CCC[N@@H+](C2CCN(C3CCCCC3)CC2)C1)N1CCOCC1 ZINC000082099611 542683068 /nfs/dbraw/zinc/68/30/68/542683068.db2.gz ABOAAIOKNDXXNK-GOSISDBHSA-N 1 3 363.546 2.354 50 0 FEAAHO O=C([C@@H]1CCC[N@H+](C2CCN(C3CCCCC3)CC2)C1)N1CCOCC1 ZINC000082099611 542683070 /nfs/dbraw/zinc/68/30/70/542683070.db2.gz ABOAAIOKNDXXNK-GOSISDBHSA-N 1 3 363.546 2.354 50 0 FEAAHO CN(CCN[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O)c1ccccc1 ZINC000072127168 541784107 /nfs/dbraw/zinc/78/41/07/541784107.db2.gz JQDXEKNUHYCBPE-RTWAWAEBSA-N 1 3 351.494 2.449 50 0 FEAAHO CN1CCC(Nc2ccc(C(=O)NCC[C@@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000015069322 220144468 /nfs/dbraw/zinc/14/44/68/220144468.db2.gz SNTKAFWIJIMSED-SFHVURJKSA-N 1 3 359.518 2.192 50 0 FEAAHO CN1CCC(Nc2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000015069322 220144470 /nfs/dbraw/zinc/14/44/70/220144470.db2.gz SNTKAFWIJIMSED-SFHVURJKSA-N 1 3 359.518 2.192 50 0 FEAAHO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)c1cc2n(n1)CCCNC2 ZINC000065421683 221217699 /nfs/dbraw/zinc/21/76/99/221217699.db2.gz KQDROZSFAALDRB-UHFFFAOYSA-N 1 3 367.497 2.244 50 0 FEAAHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2cccnc2)C[C@@H](C)O1 ZINC000067452565 221254304 /nfs/dbraw/zinc/25/43/04/221254304.db2.gz WTGOKLFQRMGRQG-IAGOWNOFSA-N 1 3 357.502 2.461 50 0 FEAAHO C[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccnc1)N[C@]2(CO)Cc1c[nH]c2ccccc12 ZINC000067805198 221288169 /nfs/dbraw/zinc/28/81/69/221288169.db2.gz GYBZTSUJOKXSCH-KIZRIRGWSA-N 1 3 362.477 2.359 50 0 FEAAHO C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccnc1)N[C@]2(CO)Cc1c[nH]c2ccccc12 ZINC000067805198 221288173 /nfs/dbraw/zinc/28/81/73/221288173.db2.gz GYBZTSUJOKXSCH-KIZRIRGWSA-N 1 3 362.477 2.359 50 0 FEAAHO C[N@@H+]1CCCN(C[C@@H]2CN(Cc3c(F)cccc3Cl)C[C@@H]2CO)CC1 ZINC000091998069 542835813 /nfs/dbraw/zinc/83/58/13/542835813.db2.gz OMMSJEPHVBNLNI-HZPDHXFCSA-N 1 3 369.912 2.157 50 0 FEAAHO C[N@H+]1CCCN(C[C@@H]2CN(Cc3c(F)cccc3Cl)C[C@@H]2CO)CC1 ZINC000091998069 542835816 /nfs/dbraw/zinc/83/58/16/542835816.db2.gz OMMSJEPHVBNLNI-HZPDHXFCSA-N 1 3 369.912 2.157 50 0 FEAAHO CN(C)CCOc1cccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000079180828 521801939 /nfs/dbraw/zinc/80/19/39/521801939.db2.gz UVBXHRSOPAGUII-UHFFFAOYSA-N 1 3 374.529 2.397 50 0 FEAAHO O[C@@H]1C[C@H]2CN(Cc3ccccc3OCC[NH+]3CCCCC3)C[C@H]2C[C@@H]1O ZINC000215676775 548672480 /nfs/dbraw/zinc/67/24/80/548672480.db2.gz JUNFSELWZCRPLJ-UJOPUZHASA-N 1 3 374.525 2.115 50 0 FEAAHO COc1cc(CNCC(C)(C)OC)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011812715 539535369 /nfs/dbraw/zinc/53/53/69/539535369.db2.gz PACPSAKYVUBCHH-QGZVFWFLSA-N 1 3 368.518 2.290 50 0 FEAAHO COc1cc(CNCC(C)(C)OC)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000011812715 539535372 /nfs/dbraw/zinc/53/53/72/539535372.db2.gz PACPSAKYVUBCHH-QGZVFWFLSA-N 1 3 368.518 2.290 50 0 FEAAHO Cc1nc2cc(C)ccn2c1C(=O)N1CCC[C@H]([N@@H+](C)CCCN(C)C)C1 ZINC000072150387 541789993 /nfs/dbraw/zinc/78/99/93/541789993.db2.gz FCRSAAXNWBPIAD-SFHVURJKSA-N 1 3 371.529 2.439 50 0 FEAAHO Cc1nc2cc(C)ccn2c1C(=O)N1CCC[C@H]([N@H+](C)CCCN(C)C)C1 ZINC000072150387 541789995 /nfs/dbraw/zinc/78/99/95/541789995.db2.gz FCRSAAXNWBPIAD-SFHVURJKSA-N 1 3 371.529 2.439 50 0 FEAAHO CC(C)(N)c1cn(CC2CC[NH+](C3CSCCSC3)CC2)nn1 ZINC000019607843 220280825 /nfs/dbraw/zinc/28/08/25/220280825.db2.gz XZAHGMWGRMZJDP-UHFFFAOYSA-N 1 3 355.577 2.033 50 0 FEAAHO C[C@H]1CN(CCCC[NH2+]Cc2cn(C)nc2-c2ccncc2)C[C@H](C)O1 ZINC000062252780 221139390 /nfs/dbraw/zinc/13/93/90/221139390.db2.gz LMUDIUAZJNXEKH-IRXDYDNUSA-N 1 3 357.502 2.461 50 0 FEAAHO Cn1nc([C@H]2CCCN(C[C@H]3CC[C@@H]([NH3+])CC3)C2)n(-c2ccccc2)c1=O ZINC000244678742 527558335 /nfs/dbraw/zinc/55/83/35/527558335.db2.gz IJBMCZWOQINHIX-OKZBNKHCSA-N 1 3 369.513 2.268 50 0 FEAAHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000237431980 548826080 /nfs/dbraw/zinc/82/60/80/548826080.db2.gz ODSKVVCBQSVGLX-QWFCFKBJSA-N 1 3 358.530 2.094 50 0 FEAAHO COc1cc(CNCC(C)(C)OC)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011812714 539534855 /nfs/dbraw/zinc/53/48/55/539534855.db2.gz PACPSAKYVUBCHH-KRWDZBQOSA-N 1 3 368.518 2.290 50 0 FEAAHO COc1cc(CNCC(C)(C)OC)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011812714 539534859 /nfs/dbraw/zinc/53/48/59/539534859.db2.gz PACPSAKYVUBCHH-KRWDZBQOSA-N 1 3 368.518 2.290 50 0 FEAAHO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](Cn2cc(CN)nn2)C1 ZINC000023506049 539715461 /nfs/dbraw/zinc/71/54/61/539715461.db2.gz LMGGDFZVPCFTEC-QGZVFWFLSA-N 1 3 365.485 2.143 50 0 FEAAHO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](Cn2cc(CN)nn2)C1 ZINC000023506049 539715465 /nfs/dbraw/zinc/71/54/65/539715465.db2.gz LMGGDFZVPCFTEC-QGZVFWFLSA-N 1 3 365.485 2.143 50 0 FEAAHO Cc1ccc(NC(=O)COc2cccc(C[NH2+]CCCNCCO)c2)cc1 ZINC000040720814 540010984 /nfs/dbraw/zinc/01/09/84/540010984.db2.gz JXAXXDBGLBJVCQ-UHFFFAOYSA-N 1 3 371.481 2.074 50 0 FEAAHO CN(Cc1cc2n(n1)CCCNC2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072168626 541795036 /nfs/dbraw/zinc/79/50/36/541795036.db2.gz KYTMRMXKWBUWQX-LJQANCHMSA-N 1 3 353.514 2.330 50 0 FEAAHO CN(Cc1cc2n(n1)CCCNC2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072168626 541795039 /nfs/dbraw/zinc/79/50/39/541795039.db2.gz KYTMRMXKWBUWQX-LJQANCHMSA-N 1 3 353.514 2.330 50 0 FEAAHO Cc1cc(C)c2[nH]c(CNCCC[N@@H+]3CCC[C@@H](CO)C3)cc(=O)c2c1 ZINC000091745534 542823046 /nfs/dbraw/zinc/82/30/46/542823046.db2.gz MIOZOFNQMGJPHO-QGZVFWFLSA-N 1 3 357.498 2.329 50 0 FEAAHO Cc1cc(C)c2[nH]c(CNCCC[N@H+]3CCC[C@@H](CO)C3)cc(=O)c2c1 ZINC000091745534 542823050 /nfs/dbraw/zinc/82/30/50/542823050.db2.gz MIOZOFNQMGJPHO-QGZVFWFLSA-N 1 3 357.498 2.329 50 0 FEAAHO CN1C[C@@H](C[N@H+](C)Cc2ccccc2OCCN2CCCCC2)CC1=O ZINC000215760276 548672995 /nfs/dbraw/zinc/67/29/95/548672995.db2.gz UBBWMYGNWBAEBK-GOSISDBHSA-N 1 3 359.514 2.461 50 0 FEAAHO CN1C[C@@H](C[N@@H+](C)Cc2ccccc2OCCN2CCCCC2)CC1=O ZINC000215760276 548673001 /nfs/dbraw/zinc/67/30/01/548673001.db2.gz UBBWMYGNWBAEBK-GOSISDBHSA-N 1 3 359.514 2.461 50 0 FEAAHO CN1CCN(CCCOc2ccccc2CN2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000216073789 548676197 /nfs/dbraw/zinc/67/61/97/548676197.db2.gz VQZQSVSPYYEGEM-NRFANRHFSA-N 1 3 374.573 2.229 50 0 FEAAHO O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(c2ccncc2)CC1 ZINC000584894054 571315044 /nfs/dbraw/zinc/31/50/44/571315044.db2.gz SOGVYLAKOGMGSX-QGZVFWFLSA-N 1 3 357.502 2.178 50 0 FEAAHO O=C(NC[C@H]1CC[N@H+](C2CCCC2)C1)N1CCN(c2ccncc2)CC1 ZINC000584894054 571315045 /nfs/dbraw/zinc/31/50/45/571315045.db2.gz SOGVYLAKOGMGSX-QGZVFWFLSA-N 1 3 357.502 2.178 50 0 FEAAHO Cc1nn(C(C)C)c(C)c1CN(C)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072411251 541807617 /nfs/dbraw/zinc/80/76/17/541807617.db2.gz YDFDVDAXAPYDOK-SFHVURJKSA-N 1 3 361.534 2.113 50 0 FEAAHO C[N@H+](CCCN1CC2(CCN(CCCO)CC2)OC1=O)C1CCCCC1 ZINC000077488208 542388266 /nfs/dbraw/zinc/38/82/66/542388266.db2.gz OGYZPNVIHDWXHH-UHFFFAOYSA-N 1 3 367.534 2.310 50 0 FEAAHO C[N@@H+](CCCN1CC2(CCN(CCCO)CC2)OC1=O)C1CCCCC1 ZINC000077488208 542388268 /nfs/dbraw/zinc/38/82/68/542388268.db2.gz OGYZPNVIHDWXHH-UHFFFAOYSA-N 1 3 367.534 2.310 50 0 FEAAHO COCCNC(=O)[C@H]1CCCN(C2CC[NH+](CCC=C(C)C)CC2)C1 ZINC000071714750 221355746 /nfs/dbraw/zinc/35/57/46/221355746.db2.gz LDKHMQNPRUJHST-SFHVURJKSA-N 1 3 351.535 2.282 50 0 FEAAHO COc1ccccc1OC[C@@H](C)[NH2+]C1CCN(c2cc(C)nc(N)n2)CC1 ZINC000095365898 537097465 /nfs/dbraw/zinc/09/74/65/537097465.db2.gz HRMXEMPKIJCGMN-OAHLLOKOSA-N 1 3 371.485 2.402 50 0 FEAAHO Cc1cc(C)cc(OCCN(C)C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)c1 ZINC000072408608 541806306 /nfs/dbraw/zinc/80/63/06/541806306.db2.gz GHZAJGDHOUEMDN-IBGZPJMESA-N 1 3 359.514 2.215 50 0 FEAAHO COC1(c2ccccc2)CCN(C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)CC1 ZINC000072409406 541806329 /nfs/dbraw/zinc/80/63/29/541806329.db2.gz CNODCRGTIPIVDE-LJQANCHMSA-N 1 3 371.525 2.225 50 0 FEAAHO CCCN1CC2(C[C@@H]1C(=O)NCCCc1ccncc1)CC[NH+](C)CC2 ZINC000072430966 541812629 /nfs/dbraw/zinc/81/26/29/541812629.db2.gz IJHABZXIDCDYJT-LJQANCHMSA-N 1 3 358.530 2.327 50 0 FEAAHO CC(=O)Nc1ccc(CN2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)cc1 ZINC000065492216 221226298 /nfs/dbraw/zinc/22/62/98/221226298.db2.gz RZAPPBCLEKDDED-KRWDZBQOSA-N 1 3 358.530 2.493 50 0 FEAAHO Cc1ccccc1[C@H](C(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1)N(C)C ZINC000067947729 221307656 /nfs/dbraw/zinc/30/76/56/221307656.db2.gz FXDJXMSBVAJQHM-HXUWFJFHSA-N 1 3 372.557 2.226 50 0 FEAAHO Cc1cc(C)c2[nH]c(CN3CCC[C@@](O)(C[NH+](C)C)CC3)cc(=O)c2c1 ZINC000091872070 542829914 /nfs/dbraw/zinc/82/99/14/542829914.db2.gz PIVAAERTXBHXJW-NRFANRHFSA-N 1 3 357.498 2.424 50 0 FEAAHO CC(C)[NH+]1CCC(N2CCN(C3CCSCC3)C[C@@H]2CCO)CC1 ZINC000020455398 263379962 /nfs/dbraw/zinc/37/99/62/263379962.db2.gz LRAIQUWIBQGROO-IBGZPJMESA-N 1 3 355.592 2.123 50 0 FEAAHO CC(C)N1CCN(C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1CCO ZINC000020534187 519681267 /nfs/dbraw/zinc/68/12/67/519681267.db2.gz SJJHZUWTSJEPJS-QFIPXVFZSA-N 1 3 359.558 2.471 50 0 FEAAHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238159511 548880301 /nfs/dbraw/zinc/88/03/01/548880301.db2.gz RALBPLUQMHSEPT-CZAAIQMYSA-N 1 3 371.525 2.180 50 0 FEAAHO COCCN1CCC(C(=O)N2CCC([NH+]3CCCCCC3)CC2)CC1 ZINC000670456482 571354358 /nfs/dbraw/zinc/35/43/58/571354358.db2.gz XYCUDBHFSOWPAI-UHFFFAOYSA-N 1 3 351.535 2.212 50 0 FEAAHO