smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000045966772 520892378 /nfs/dbraw/zinc/89/23/78/520892378.db2.gz MMULUXNCMKFDLO-FQEVSTJZSA-N 2 1 416.566 1.834 50 0 HDAAMP CC[N@H+]1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1C ZINC000045974504 521633499 /nfs/dbraw/zinc/63/34/99/521633499.db2.gz NUUVWUZQODAZTF-LJQANCHMSA-N 2 1 422.595 1.210 50 0 HDAAMP CC[N@H+]1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(C)ccc1C ZINC000045974502 521653477 /nfs/dbraw/zinc/65/34/77/521653477.db2.gz DZHSXBUURHGDIE-IBGZPJMESA-N 2 1 422.595 1.210 50 0 HDAAMP CC[N@@H+](CCn1cccn1)Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000011813799 558278237 /nfs/dbraw/zinc/27/82/37/558278237.db2.gz CRGQTWBWYHQYAU-OAQYLSRUSA-N 2 1 402.539 1.602 50 0 HDAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCn3nc(C)cc3C)c2)CC1 ZINC000020783804 558413539 /nfs/dbraw/zinc/41/35/39/558413539.db2.gz NQHPBQLKBHFGRF-JOCHJYFZSA-N 2 1 415.582 1.667 50 0 HDAAMP CCCCNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000023352344 558550781 /nfs/dbraw/zinc/55/07/81/558550781.db2.gz FTXAGUPUAPHKOL-NHCUHLMSSA-N 2 1 402.583 1.994 50 0 HDAAMP Cc1ccc(C)c(C[NH+]2CCc3nnc(CCNC(=O)[C@@H]4CCC[N@H+](C)C4)n3CC2)c1 ZINC000014974066 558688633 /nfs/dbraw/zinc/68/86/33/558688633.db2.gz CJYZVHICUZNKIG-HXUWFJFHSA-N 2 1 424.593 1.954 50 0 HDAAMP Cc1ccc(C)c(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCC[NH+](C)C4)n3CC2)c1 ZINC000014974066 558688635 /nfs/dbraw/zinc/68/86/35/558688635.db2.gz CJYZVHICUZNKIG-HXUWFJFHSA-N 2 1 424.593 1.954 50 0 HDAAMP Cc1ccc(C)c(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCC[NH+](C)C4)n3CC2)c1 ZINC000014974066 558688637 /nfs/dbraw/zinc/68/86/37/558688637.db2.gz CJYZVHICUZNKIG-HXUWFJFHSA-N 2 1 424.593 1.954 50 0 HDAAMP COc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000035422049 558791716 /nfs/dbraw/zinc/79/17/16/558791716.db2.gz AIGSOMFPTKTKBQ-IBGZPJMESA-N 2 1 416.566 1.834 50 0 HDAAMP Cc1ocnc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071714938 558907430 /nfs/dbraw/zinc/90/74/30/558907430.db2.gz ZOMNORAVVMOSFA-KRWDZBQOSA-N 2 1 403.527 1.074 50 0 HDAAMP Cc1ocnc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071714938 558907433 /nfs/dbraw/zinc/90/74/33/558907433.db2.gz ZOMNORAVVMOSFA-KRWDZBQOSA-N 2 1 403.527 1.074 50 0 HDAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)c4cscn4)CC3)C2)CC1 ZINC000071760933 558910148 /nfs/dbraw/zinc/91/01/48/558910148.db2.gz OCAPBKHWXBUIFX-MRXNPFEDSA-N 2 1 405.568 1.234 50 0 HDAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)c4cscn4)CC3)C2)CC1 ZINC000071760933 558910150 /nfs/dbraw/zinc/91/01/50/558910150.db2.gz OCAPBKHWXBUIFX-MRXNPFEDSA-N 2 1 405.568 1.234 50 0 HDAAMP CN(CC[NH+](C)C)C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1CO ZINC000091536729 559072008 /nfs/dbraw/zinc/07/20/08/559072008.db2.gz PPSAWIIPERVUBG-NHCUHLMSSA-N 2 1 402.583 1.325 50 0 HDAAMP CN(C)C(=O)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091951071 559074786 /nfs/dbraw/zinc/07/47/86/559074786.db2.gz PYJAXSHSLSFCGO-HXUWFJFHSA-N 2 1 412.578 1.535 50 0 HDAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH+]3CCC4(CCO4)CC3)c2)CC1 ZINC000095519617 559084928 /nfs/dbraw/zinc/08/49/28/559084928.db2.gz WVVFJVRGIBQPPI-OAQYLSRUSA-N 2 1 403.567 1.819 50 0 HDAAMP Cc1ccccc1[C@@]1(CC(=O)N2CC[N@H+](C)[C@@H](C)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758740 568873145 /nfs/dbraw/zinc/87/31/45/568873145.db2.gz OYBPZDYXTUJALO-FDDCHVKYSA-N 2 1 414.550 1.106 50 0 HDAAMP Cc1ccccc1[C@@]1(CC(=O)N2CC[N@@H+](C)[C@@H](C)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758740 568873146 /nfs/dbraw/zinc/87/31/46/568873146.db2.gz OYBPZDYXTUJALO-FDDCHVKYSA-N 2 1 414.550 1.106 50 0 HDAAMP CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@@H+](C)C3CCOCC3)cc2OC)CC1 ZINC000020201577 558345694 /nfs/dbraw/zinc/34/56/94/558345694.db2.gz OHTJXTAFGZMWAP-OAQYLSRUSA-N 2 1 421.582 1.683 50 0 HDAAMP COc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@H]2C)c1 ZINC000035422022 558791705 /nfs/dbraw/zinc/79/17/05/558791705.db2.gz FRJHCIFVQOKSIF-LJQANCHMSA-N 2 1 416.566 1.834 50 0 HDAAMP O=C(C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012055560 132353311 /nfs/dbraw/zinc/35/33/11/132353311.db2.gz DRZLYVPCPNXVMF-NRFANRHFSA-N 2 1 407.518 1.163 50 0 HDAAMP O=C(C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012055560 132353313 /nfs/dbraw/zinc/35/33/13/132353313.db2.gz DRZLYVPCPNXVMF-NRFANRHFSA-N 2 1 407.518 1.163 50 0 HDAAMP CC(C)c1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974182 519838468 /nfs/dbraw/zinc/83/84/68/519838468.db2.gz FYPQWQWIPIARNL-UHFFFAOYSA-N 2 1 422.595 1.328 50 0 HDAAMP COc1cc(C[N@@H+]2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000011839555 558286093 /nfs/dbraw/zinc/28/60/93/558286093.db2.gz LQJNYUTUNFROEM-FQEVSTJZSA-N 2 1 407.555 1.829 50 0 HDAAMP COc1cc(C[N@H+]2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000011839555 558286097 /nfs/dbraw/zinc/28/60/97/558286097.db2.gz LQJNYUTUNFROEM-FQEVSTJZSA-N 2 1 407.555 1.829 50 0 HDAAMP COc1cc(C[NH+]2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011839555 558286100 /nfs/dbraw/zinc/28/61/00/558286100.db2.gz LQJNYUTUNFROEM-FQEVSTJZSA-N 2 1 407.555 1.829 50 0 HDAAMP COc1cc(C[NH+]2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011839555 558286102 /nfs/dbraw/zinc/28/61/02/558286102.db2.gz LQJNYUTUNFROEM-FQEVSTJZSA-N 2 1 407.555 1.829 50 0 HDAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCc3cscn3)c2)CC1 ZINC000023374367 558554084 /nfs/dbraw/zinc/55/40/84/558554084.db2.gz NYTIOTNPDSUMIR-FQEVSTJZSA-N 2 1 404.580 1.853 50 0 HDAAMP Cc1cc(C[NH+]2CCC3(CN(CCCN4CC[C@H]([NH+](C)C)C4)C(=O)O3)CC2)on1 ZINC000072426772 558978831 /nfs/dbraw/zinc/97/88/31/558978831.db2.gz SNAVFBMPQKQZSE-SFHVURJKSA-N 2 1 405.543 1.796 50 0 HDAAMP COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](CC1CC[NH+](C(C)C)CC1)CC2 ZINC000095520582 559085068 /nfs/dbraw/zinc/08/50/68/559085068.db2.gz FGGBJPQPIRBZKA-UHFFFAOYSA-N 2 1 403.571 1.852 50 0 HDAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCN2CCN(C)CC2)cc1OC ZINC000023374198 559173558 /nfs/dbraw/zinc/17/35/58/559173558.db2.gz QQDKQTASQVNIAA-HXUWFJFHSA-N 2 1 408.587 1.114 50 0 HDAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000015862688 569015944 /nfs/dbraw/zinc/01/59/44/569015944.db2.gz MXPOOYKTZNKVKM-LJQANCHMSA-N 2 1 422.595 1.292 50 0 HDAAMP O=C(NCCC[NH+]1CCOCC1)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256242 569208189 /nfs/dbraw/zinc/20/81/89/569208189.db2.gz KBFLVSACVSGYRX-OAQYLSRUSA-N 2 1 409.534 1.685 50 0 HDAAMP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000079066725 569426598 /nfs/dbraw/zinc/42/65/98/569426598.db2.gz LJVBCERZVHTEPW-UNMCSNQZSA-N 2 1 413.518 1.827 50 0 HDAAMP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000079066725 569426599 /nfs/dbraw/zinc/42/65/99/569426599.db2.gz LJVBCERZVHTEPW-UNMCSNQZSA-N 2 1 413.518 1.827 50 0 HDAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(OC)cc1 ZINC000045966813 521653599 /nfs/dbraw/zinc/65/35/99/521653599.db2.gz OWBWOUXLBDTOJZ-IBGZPJMESA-N 2 1 402.539 1.444 50 0 HDAAMP Cc1occc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071768070 558910836 /nfs/dbraw/zinc/91/08/36/558910836.db2.gz ZTXXNTJXBUYHIX-SFHVURJKSA-N 2 1 402.539 1.679 50 0 HDAAMP Cc1occc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071768070 558910837 /nfs/dbraw/zinc/91/08/37/558910837.db2.gz ZTXXNTJXBUYHIX-SFHVURJKSA-N 2 1 402.539 1.679 50 0 HDAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCNC(=O)CC1 ZINC000082120494 559039372 /nfs/dbraw/zinc/03/93/72/559039372.db2.gz CXZCUUORTAGNIW-NRFANRHFSA-N 2 1 412.578 1.754 50 0 HDAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCNC(=O)CC1 ZINC000082120494 559039374 /nfs/dbraw/zinc/03/93/74/559039374.db2.gz CXZCUUORTAGNIW-NRFANRHFSA-N 2 1 412.578 1.754 50 0 HDAAMP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)C2CCOCC2)c1 ZINC000011838431 558285440 /nfs/dbraw/zinc/28/54/40/558285440.db2.gz CECVDPLJYATLPA-HXUWFJFHSA-N 2 1 408.539 1.502 50 0 HDAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H]([NH2+]CC1(O)CCCCC1)C2 ZINC000020166175 558342801 /nfs/dbraw/zinc/34/28/01/558342801.db2.gz UIXQXBINUCKKCD-SFHVURJKSA-N 2 1 417.598 1.823 50 0 HDAAMP COc1ccc(C[NH+](CCO)CCO)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012297607 558367650 /nfs/dbraw/zinc/36/76/50/558367650.db2.gz IWEAHIKPGUDYLC-NRFANRHFSA-N 2 1 418.534 1.354 50 0 HDAAMP CC(=O)NCCNC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000015065223 558708087 /nfs/dbraw/zinc/70/80/87/558708087.db2.gz HMAKLACHYLQHDC-UHFFFAOYSA-N 2 1 400.567 1.924 50 0 HDAAMP CNc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082126824 559039800 /nfs/dbraw/zinc/03/98/00/559039800.db2.gz PAWBQPZVXRVLOR-SFHVURJKSA-N 2 1 409.538 1.911 50 0 HDAAMP CNc1cc[nH+]c(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082126824 559039801 /nfs/dbraw/zinc/03/98/01/559039801.db2.gz PAWBQPZVXRVLOR-SFHVURJKSA-N 2 1 409.538 1.911 50 0 HDAAMP C[NH+](C)CCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082137187 559040265 /nfs/dbraw/zinc/04/02/65/559040265.db2.gz VXFRNEUCWAOEPM-GOSISDBHSA-N 2 1 401.555 1.353 50 0 HDAAMP CC(=O)NCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091321313 559071097 /nfs/dbraw/zinc/07/10/97/559071097.db2.gz DRHJLCHJHJYBJR-NRFANRHFSA-N 2 1 412.578 1.583 50 0 HDAAMP CN(C)c1cc[nH+]c(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299801054 568876695 /nfs/dbraw/zinc/87/66/95/568876695.db2.gz YBSIHWKGFKQUSX-SFHVURJKSA-N 2 1 402.543 1.304 50 0 HDAAMP CC[N@H+]1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000015864135 569016351 /nfs/dbraw/zinc/01/63/51/569016351.db2.gz MXAVENLRLIPHRM-FQEVSTJZSA-N 2 1 415.538 1.003 50 0 HDAAMP CCn1c2c(C(=O)NCC[NH+](C)C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835911 569104514 /nfs/dbraw/zinc/10/45/14/569104514.db2.gz IXDQPANMPHUKDH-UHFFFAOYSA-N 2 1 422.533 1.366 50 0 HDAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)C1(C(N)=O)CC1 ZINC000012073006 558318202 /nfs/dbraw/zinc/31/82/02/558318202.db2.gz YCGJXKHJNYVKTH-QGZVFWFLSA-N 2 1 404.530 1.693 50 0 HDAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCn3nc(C)cc3C)c2)CC1 ZINC000020783807 558413578 /nfs/dbraw/zinc/41/35/78/558413578.db2.gz NQHPBQLKBHFGRF-QFIPXVFZSA-N 2 1 415.582 1.667 50 0 HDAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCCn3cccn3)c2)CC1 ZINC000022913466 558520593 /nfs/dbraw/zinc/52/05/93/558520593.db2.gz MFYWIXZOYAFCQP-NRFANRHFSA-N 2 1 401.555 1.440 50 0 HDAAMP CCCc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)no1 ZINC000071416216 558897672 /nfs/dbraw/zinc/89/76/72/558897672.db2.gz UWKHSTYNZPOMQH-QGZVFWFLSA-N 2 1 404.559 1.477 50 0 HDAAMP CCCc1nc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)no1 ZINC000071416216 558897675 /nfs/dbraw/zinc/89/76/75/558897675.db2.gz UWKHSTYNZPOMQH-QGZVFWFLSA-N 2 1 404.559 1.477 50 0 HDAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C(N)=O)[C@@H](C)O)CC2)CC1 ZINC000071422322 558897889 /nfs/dbraw/zinc/89/78/89/558897889.db2.gz MTLYKYABFVHLCI-UTKZUKDTSA-N 2 1 416.566 1.022 50 0 HDAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(c4noc(C5CC5)n4)CC3)C2)CC1 ZINC000071661824 558906385 /nfs/dbraw/zinc/90/63/85/558906385.db2.gz SUBXEYDBACXNOP-QGZVFWFLSA-N 2 1 402.543 1.402 50 0 HDAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(c4noc(C5CC5)n4)CC3)C2)CC1 ZINC000071661824 558906387 /nfs/dbraw/zinc/90/63/87/558906387.db2.gz SUBXEYDBACXNOP-QGZVFWFLSA-N 2 1 402.543 1.402 50 0 HDAAMP Cc1occc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071768071 558910809 /nfs/dbraw/zinc/91/08/09/558910809.db2.gz ZTXXNTJXBUYHIX-GOSISDBHSA-N 2 1 402.539 1.679 50 0 HDAAMP Cc1occc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071768071 558910812 /nfs/dbraw/zinc/91/08/12/558910812.db2.gz ZTXXNTJXBUYHIX-GOSISDBHSA-N 2 1 402.539 1.679 50 0 HDAAMP C[N@H+](CCc1ccccc1)CCN1CC2(CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)OC1=O ZINC000077541004 559008979 /nfs/dbraw/zinc/00/89/79/559008979.db2.gz KEJFBRPEWCKUIW-FQEVSTJZSA-N 2 1 414.550 1.726 50 0 HDAAMP C[NH+](C)CC(=O)N1CCC(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095527486 559086211 /nfs/dbraw/zinc/08/62/11/559086211.db2.gz KJXSJVWMRNOHCU-OAQYLSRUSA-N 2 1 400.567 1.958 50 0 HDAAMP Cn1c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1C[NH+]1CCCCC1 ZINC000085878922 569009776 /nfs/dbraw/zinc/00/97/76/569009776.db2.gz RGBWMJSTQLDADF-MSOLQXFVSA-N 2 1 424.545 1.858 50 0 biogenic HDAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCN3CCCCC3=O)c2)CC1 ZINC000019744806 569429446 /nfs/dbraw/zinc/42/94/46/569429446.db2.gz WYPISUMKDNEBMU-OAQYLSRUSA-N 2 1 418.582 1.166 50 0 HDAAMP C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1 ZINC000045966915 526249675 /nfs/dbraw/zinc/24/96/75/526249675.db2.gz PTEQJJBOAFDMDM-SFHVURJKSA-N 2 1 404.530 1.964 50 0 HDAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCSc2cn[nH]n2)cc1OC ZINC000012303066 558372674 /nfs/dbraw/zinc/37/26/74/558372674.db2.gz BCELKKXLIHUEOT-MRXNPFEDSA-N 2 1 409.556 1.777 50 0 HDAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCCn1cncn1 ZINC000012457503 558417858 /nfs/dbraw/zinc/41/78/58/558417858.db2.gz QIEHICOYSLJOML-OAQYLSRUSA-N 2 1 420.602 1.730 50 0 HDAAMP Cn1cccc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071765439 558910537 /nfs/dbraw/zinc/91/05/37/558910537.db2.gz PDMCPJRIZSJMIX-SFHVURJKSA-N 2 1 401.555 1.116 50 0 HDAAMP Cn1cccc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071765439 558910539 /nfs/dbraw/zinc/91/05/39/558910539.db2.gz PDMCPJRIZSJMIX-SFHVURJKSA-N 2 1 401.555 1.116 50 0 HDAAMP CC(C)(NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)C(N)=O ZINC000092028204 559075063 /nfs/dbraw/zinc/07/50/63/559075063.db2.gz LEAOUPCBKUXDMT-IBGZPJMESA-N 2 1 400.567 1.786 50 0 HDAAMP CC(C)(NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)C(N)=O ZINC000092028204 559075064 /nfs/dbraw/zinc/07/50/64/559075064.db2.gz LEAOUPCBKUXDMT-IBGZPJMESA-N 2 1 400.567 1.786 50 0 HDAAMP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000011661787 559127029 /nfs/dbraw/zinc/12/70/29/559127029.db2.gz YTXPIWVANMBZFR-HXUWFJFHSA-N 2 1 423.623 1.915 50 0 HDAAMP CCN1CCN(C[C@@H](O)COc2cccc(C[NH2+]CC3CC[NH+](C)CC3)c2)CC1 ZINC000020235636 568595460 /nfs/dbraw/zinc/59/54/60/568595460.db2.gz CPNYUVQSLHIHDT-JOCHJYFZSA-N 2 1 404.599 1.495 50 0 HDAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CC3CC[NH+](C)CC3)c2)CC1 ZINC000020235636 568595461 /nfs/dbraw/zinc/59/54/61/568595461.db2.gz CPNYUVQSLHIHDT-JOCHJYFZSA-N 3 1 404.599 1.495 50 0 HDAAMP CC[NH+]1CCN(C[C@H](O)COc2ccc(C[N@@H+](C)C3CCOCC3)cc2OC)CC1 ZINC000020201580 558345545 /nfs/dbraw/zinc/34/55/45/558345545.db2.gz OHTJXTAFGZMWAP-NRFANRHFSA-N 2 1 421.582 1.683 50 0 HDAAMP COc1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)ccc1OC1CC[NH+](C)CC1 ZINC000012439225 558410823 /nfs/dbraw/zinc/41/08/23/558410823.db2.gz XLFKKGHMTCMRBW-GOSISDBHSA-N 2 1 405.539 1.745 50 0 HDAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc(OCCO)c3)C[C@@H]2CCO)CC1 ZINC000020999750 558428181 /nfs/dbraw/zinc/42/81/81/558428181.db2.gz CUZDEKPCWNCESG-QFIPXVFZSA-N 2 1 405.583 1.799 50 0 HDAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc(OCCO)c3)C[C@@H]2CCO)CC1 ZINC000020999750 558428183 /nfs/dbraw/zinc/42/81/83/558428183.db2.gz CUZDEKPCWNCESG-QFIPXVFZSA-N 2 1 405.583 1.799 50 0 HDAAMP O=C(C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012712170 558453347 /nfs/dbraw/zinc/45/33/47/558453347.db2.gz NKCFIJCSZTWVME-QFIPXVFZSA-N 2 1 421.545 1.554 50 0 HDAAMP O=C(C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012712170 558453350 /nfs/dbraw/zinc/45/33/50/558453350.db2.gz NKCFIJCSZTWVME-QFIPXVFZSA-N 2 1 421.545 1.554 50 0 HDAAMP COc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@@H]2C)c1 ZINC000035422023 558791740 /nfs/dbraw/zinc/79/17/40/558791740.db2.gz FRJHCIFVQOKSIF-IBGZPJMESA-N 2 1 416.566 1.834 50 0 HDAAMP CCc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)ncn1 ZINC000071764416 558910347 /nfs/dbraw/zinc/91/03/47/558910347.db2.gz VINWTVFUHWCPHC-SFHVURJKSA-N 2 1 400.571 1.494 50 0 HDAAMP CCc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)ncn1 ZINC000071764416 558910348 /nfs/dbraw/zinc/91/03/48/558910348.db2.gz VINWTVFUHWCPHC-SFHVURJKSA-N 2 1 400.571 1.494 50 0 HDAAMP CNc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082170835 559042196 /nfs/dbraw/zinc/04/21/96/559042196.db2.gz MHDWITIOSMGFBP-QGZVFWFLSA-N 2 1 409.538 1.911 50 0 HDAAMP CNc1cc[nH+]c(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082170835 559042197 /nfs/dbraw/zinc/04/21/97/559042197.db2.gz MHDWITIOSMGFBP-QGZVFWFLSA-N 2 1 409.538 1.911 50 0 HDAAMP CC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091321310 559071072 /nfs/dbraw/zinc/07/10/72/559071072.db2.gz DRHJLCHJHJYBJR-OAQYLSRUSA-N 2 1 412.578 1.583 50 0 HDAAMP CN(C)C(=O)C[NH+]1CCC(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095501437 559082450 /nfs/dbraw/zinc/08/24/50/559082450.db2.gz FYJFNSUGGABDNW-OAQYLSRUSA-N 2 1 400.567 1.958 50 0 HDAAMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CC[NH+](CC)CC1 ZINC000020287886 568597219 /nfs/dbraw/zinc/59/72/19/568597219.db2.gz OAHJPOATIDDZAC-PKOBYXMFSA-N 2 1 423.627 1.389 50 0 HDAAMP CCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000045966770 520892140 /nfs/dbraw/zinc/89/21/40/520892140.db2.gz MMULUXNCMKFDLO-HXUWFJFHSA-N 2 1 416.566 1.834 50 0 HDAAMP CC(C)CNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000023353400 558551051 /nfs/dbraw/zinc/55/10/51/558551051.db2.gz ULKHKSNXZWXQPM-NHCUHLMSSA-N 2 1 402.583 1.850 50 0 HDAAMP C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000035422035 558791749 /nfs/dbraw/zinc/79/17/49/558791749.db2.gz XHBBFESXQJUVGJ-SFHVURJKSA-N 2 1 404.530 1.964 50 0 HDAAMP CC(C)[NH+]1CCN(CCCN2CC3(CCN(c4cc[nH+]c(N)n4)CC3)OC2=O)CC1 ZINC000077428513 559005020 /nfs/dbraw/zinc/00/50/20/559005020.db2.gz FSIHISYSZFMSNO-UHFFFAOYSA-N 2 1 417.558 1.266 50 0 HDAAMP CN(C)C(=O)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082157634 559041567 /nfs/dbraw/zinc/04/15/67/559041567.db2.gz ZAZBQUHQQUMJMB-HXUWFJFHSA-N 2 1 400.567 1.610 50 0 HDAAMP CN(C)C(=O)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082157634 559041569 /nfs/dbraw/zinc/04/15/69/559041569.db2.gz ZAZBQUHQQUMJMB-HXUWFJFHSA-N 2 1 400.567 1.610 50 0 HDAAMP CN1CC[NH+](Cc2ccc(C(=O)N3CC[C@H]([NH+](C)C)[C@H](CCCO)C3)cc2)CC1 ZINC000091636647 559072587 /nfs/dbraw/zinc/07/25/87/559072587.db2.gz YLHHJADORGZJAI-YADHBBJMSA-N 2 1 402.583 1.599 50 0 HDAAMP CN(CCC(N)=O)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091713997 559073362 /nfs/dbraw/zinc/07/33/62/559073362.db2.gz PZTBPAKTZKPNKB-FQEVSTJZSA-N 2 1 412.578 1.664 50 0 HDAAMP CC[N@H+]1CCC[C@H]1CNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000021926747 568761209 /nfs/dbraw/zinc/76/12/09/568761209.db2.gz COKRUHBSLYDVTM-HNNXBMFYSA-N 2 1 402.568 1.966 50 0 HDAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000021926741 568761239 /nfs/dbraw/zinc/76/12/39/568761239.db2.gz COKRUHBSLYDVTM-OAHLLOKOSA-N 2 1 402.568 1.966 50 0 HDAAMP CCCC[N@H+]1CCn2nc(CNC(=O)c3cn(C[C@@H]4CCC[NH2+]C4)nn3)cc2C1 ZINC000426369239 569072508 /nfs/dbraw/zinc/07/25/08/569072508.db2.gz NQTILLBKYGBJEO-MRXNPFEDSA-N 2 1 400.531 1.020 50 0 HDAAMP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000079066742 569426620 /nfs/dbraw/zinc/42/66/20/569426620.db2.gz LJVBCERZVHTEPW-IRLDBZIGSA-N 2 1 413.518 1.827 50 0 HDAAMP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000079066742 569426621 /nfs/dbraw/zinc/42/66/21/569426621.db2.gz LJVBCERZVHTEPW-IRLDBZIGSA-N 2 1 413.518 1.827 50 0 HDAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCN3CCCCC3=O)c2)CC1 ZINC000019744809 569429413 /nfs/dbraw/zinc/42/94/13/569429413.db2.gz WYPISUMKDNEBMU-NRFANRHFSA-N 2 1 418.582 1.166 50 0 HDAAMP O=C(CCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cccs1)N1CC[NH2+]CC1 ZINC000045945313 526473342 /nfs/dbraw/zinc/47/33/42/526473342.db2.gz DSEBGHVWNULZCA-UHFFFAOYSA-N 2 1 414.597 1.047 50 0 HDAAMP COc1ccc(C[NH2+]CCNC(C)=O)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012440266 558411506 /nfs/dbraw/zinc/41/15/06/558411506.db2.gz APUWGMSPAQZAMR-NRFANRHFSA-N 2 1 415.534 1.793 50 0 HDAAMP Cc1ccc(C)c(C[NH+]2CCc3nnc(CCNC(=O)[C@H]4CCC[N@H+](C)C4)n3CC2)c1 ZINC000014974069 558688675 /nfs/dbraw/zinc/68/86/75/558688675.db2.gz CJYZVHICUZNKIG-FQEVSTJZSA-N 2 1 424.593 1.954 50 0 HDAAMP Cc1ccc(C)c(C[N@H+]2CCc3nnc(CCNC(=O)[C@H]4CCC[NH+](C)C4)n3CC2)c1 ZINC000014974069 558688676 /nfs/dbraw/zinc/68/86/76/558688676.db2.gz CJYZVHICUZNKIG-FQEVSTJZSA-N 2 1 424.593 1.954 50 0 HDAAMP Cc1ccc(C)c(C[N@@H+]2CCc3nnc(CCNC(=O)[C@H]4CCC[NH+](C)C4)n3CC2)c1 ZINC000014974069 558688679 /nfs/dbraw/zinc/68/86/79/558688679.db2.gz CJYZVHICUZNKIG-FQEVSTJZSA-N 2 1 424.593 1.954 50 0 HDAAMP CCOC(=O)c1cnn(CC[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1N ZINC000072308289 558770179 /nfs/dbraw/zinc/77/01/79/558770179.db2.gz GBJDUCXDEYYOAW-UHFFFAOYSA-N 2 1 401.515 1.650 50 0 HDAAMP CCOC(=O)c1cnn(CC[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1N ZINC000072308289 558770182 /nfs/dbraw/zinc/77/01/82/558770182.db2.gz GBJDUCXDEYYOAW-UHFFFAOYSA-N 2 1 401.515 1.650 50 0 HDAAMP CC[NH+](CC)CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(C)c1 ZINC000046140820 558839695 /nfs/dbraw/zinc/83/96/95/558839695.db2.gz NYRLYTOBZXUAMF-UHFFFAOYSA-N 2 1 410.584 1.014 50 0 HDAAMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000071747160 558908635 /nfs/dbraw/zinc/90/86/35/558908635.db2.gz WZZHHCUVNUVMNG-OAQYLSRUSA-N 2 1 420.598 1.423 50 0 HDAAMP CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1=O ZINC000082093062 559037296 /nfs/dbraw/zinc/03/72/96/559037296.db2.gz DUTBXZDQUMIYRR-OAQYLSRUSA-N 2 1 412.578 1.706 50 0 HDAAMP CN1CCN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1=O ZINC000082093062 559037297 /nfs/dbraw/zinc/03/72/97/559037297.db2.gz DUTBXZDQUMIYRR-OAQYLSRUSA-N 2 1 412.578 1.706 50 0 HDAAMP Cc1ccccc1[C@]1(CC(=O)N2CC[N@H+](C)[C@H](C)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758747 568873237 /nfs/dbraw/zinc/87/32/37/568873237.db2.gz OYBPZDYXTUJALO-JPYJTQIMSA-N 2 1 414.550 1.106 50 0 HDAAMP Cc1ccccc1[C@]1(CC(=O)N2CC[N@@H+](C)[C@H](C)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758747 568873240 /nfs/dbraw/zinc/87/32/40/568873240.db2.gz OYBPZDYXTUJALO-JPYJTQIMSA-N 2 1 414.550 1.106 50 0 HDAAMP O=C(C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012055563 132353368 /nfs/dbraw/zinc/35/33/68/132353368.db2.gz DRZLYVPCPNXVMF-OAQYLSRUSA-N 2 1 407.518 1.163 50 0 HDAAMP O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012055563 132353369 /nfs/dbraw/zinc/35/33/69/132353369.db2.gz DRZLYVPCPNXVMF-OAQYLSRUSA-N 2 1 407.518 1.163 50 0 HDAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cc[n+]([O-])cc1 ZINC000012073094 558318190 /nfs/dbraw/zinc/31/81/90/558318190.db2.gz SLFOCQZQFDSCTM-OAQYLSRUSA-N 2 1 404.555 1.605 50 0 HDAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)C1(C(N)=O)CC1 ZINC000012073009 558318244 /nfs/dbraw/zinc/31/82/44/558318244.db2.gz YCGJXKHJNYVKTH-KRWDZBQOSA-N 2 1 404.530 1.693 50 0 HDAAMP O=C(C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012712173 558453331 /nfs/dbraw/zinc/45/33/31/558453331.db2.gz NKCFIJCSZTWVME-JOCHJYFZSA-N 2 1 421.545 1.554 50 0 HDAAMP O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000012712173 558453334 /nfs/dbraw/zinc/45/33/34/558453334.db2.gz NKCFIJCSZTWVME-JOCHJYFZSA-N 2 1 421.545 1.554 50 0 HDAAMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000071747161 558908774 /nfs/dbraw/zinc/90/87/74/558908774.db2.gz WZZHHCUVNUVMNG-NRFANRHFSA-N 2 1 420.598 1.423 50 0 HDAAMP Cc1cc(C[NH+]2CCC3(CN(CCCN4CC[C@@H]([NH+](C)C)C4)C(=O)O3)CC2)on1 ZINC000072426773 558978928 /nfs/dbraw/zinc/97/89/28/558978928.db2.gz SNAVFBMPQKQZSE-GOSISDBHSA-N 2 1 405.543 1.796 50 0 HDAAMP CN(C)C(=O)C[NH+]1CCC(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095501438 559082392 /nfs/dbraw/zinc/08/23/92/559082392.db2.gz FYJFNSUGGABDNW-NRFANRHFSA-N 2 1 400.567 1.958 50 0 HDAAMP COc1ccc(C[N@@H+](C)CCN2CCOCC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000020916255 558422689 /nfs/dbraw/zinc/42/26/89/558422689.db2.gz CARHYAINAUSIRO-OAQYLSRUSA-N 2 1 421.582 1.685 50 0 HDAAMP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](CCc2ccccc2)C1 ZINC000014747664 558669746 /nfs/dbraw/zinc/66/97/46/558669746.db2.gz JRBDMUUCAUENRN-DHIUTWEWSA-N 2 1 416.610 1.567 50 0 HDAAMP C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000035422034 558791801 /nfs/dbraw/zinc/79/18/01/558791801.db2.gz XHBBFESXQJUVGJ-GOSISDBHSA-N 2 1 404.530 1.964 50 0 HDAAMP Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC000012305534 132358312 /nfs/dbraw/zinc/35/83/12/132358312.db2.gz QKJHUDCEHICQFE-NRFANRHFSA-N 2 1 400.567 1.830 50 0 HDAAMP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)C2CCOCC2)c1 ZINC000011838428 558285283 /nfs/dbraw/zinc/28/52/83/558285283.db2.gz CECVDPLJYATLPA-FQEVSTJZSA-N 2 1 408.539 1.502 50 0 HDAAMP C[NH+](C)CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082120270 559039150 /nfs/dbraw/zinc/03/91/50/559039150.db2.gz MOCUYHLCXYCBSW-FQEVSTJZSA-N 2 1 400.567 1.610 50 0 HDAAMP CN(C)C(=O)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082157636 559041479 /nfs/dbraw/zinc/04/14/79/559041479.db2.gz ZAZBQUHQQUMJMB-FQEVSTJZSA-N 2 1 400.567 1.610 50 0 HDAAMP CN(C)C(=O)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082157636 559041481 /nfs/dbraw/zinc/04/14/81/559041481.db2.gz ZAZBQUHQQUMJMB-FQEVSTJZSA-N 2 1 400.567 1.610 50 0 HDAAMP CNC(=O)CN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091829577 559073725 /nfs/dbraw/zinc/07/37/25/559073725.db2.gz KPLVAKFLOSURBN-FQEVSTJZSA-N 2 1 412.578 1.535 50 0 HDAAMP CC[N@H+]1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000015864134 569016320 /nfs/dbraw/zinc/01/63/20/569016320.db2.gz MXAVENLRLIPHRM-HXUWFJFHSA-N 2 1 415.538 1.003 50 0 HDAAMP CN1CC[NH+](CCCNC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)CC1 ZINC000065255992 569208267 /nfs/dbraw/zinc/20/82/67/569208267.db2.gz MMYPJOVZDIZOGZ-JOCHJYFZSA-N 2 1 422.577 1.600 50 0 HDAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cn1ccc(C)n1 ZINC000011843719 558288561 /nfs/dbraw/zinc/28/85/61/558288561.db2.gz CMXLTXROVAQZLY-NRFANRHFSA-N 2 1 405.587 1.863 50 0 HDAAMP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCSc2cn[nH]n2)cc1OC ZINC000012303069 558372561 /nfs/dbraw/zinc/37/25/61/558372561.db2.gz BCELKKXLIHUEOT-INIZCTEOSA-N 2 1 409.556 1.777 50 0 HDAAMP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)CC2CCOCC2)c1 ZINC000012386900 558395900 /nfs/dbraw/zinc/39/59/00/558395900.db2.gz WNMGAKKXUYICDC-OAQYLSRUSA-N 2 1 422.566 1.750 50 0 HDAAMP Cc1cccc(C(=O)N(CC[NH+]2CCCCC2)CCS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000046141069 558839873 /nfs/dbraw/zinc/83/98/73/558839873.db2.gz KQFWDSXAUKMASN-UHFFFAOYSA-N 2 1 422.595 1.158 50 0 HDAAMP Cc1ccccc1S(=O)(=O)N(CC[N@@H+]1CCCC[C@@H]1C)CC(=O)N1CC[NH2+]CC1 ZINC000045974768 525328682 /nfs/dbraw/zinc/32/86/82/525328682.db2.gz IQJPNGHQNPHHIF-IBGZPJMESA-N 2 1 422.595 1.292 50 0 HDAAMP COC[C@H](O)CNC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000012052550 558314606 /nfs/dbraw/zinc/31/46/06/558314606.db2.gz FTFLNOYLYOLGAE-JOCHJYFZSA-N 2 1 403.567 1.795 50 0 HDAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000012054062 558315104 /nfs/dbraw/zinc/31/51/04/558315104.db2.gz IOLNSIDUHNXLDZ-UHFFFAOYSA-N 2 1 411.554 1.931 50 0 HDAAMP COc1cc(C(=O)NCCC[N@H+]2CCC[C@H](O)C2)ccc1OC1CC[NH+](C)CC1 ZINC000014968217 558686528 /nfs/dbraw/zinc/68/65/28/558686528.db2.gz QUWDGQCQKOHJHK-SFHVURJKSA-N 2 1 405.539 1.745 50 0 HDAAMP Cc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071576204 558905432 /nfs/dbraw/zinc/90/54/32/558905432.db2.gz QWDFJESMQJFSDE-LJQANCHMSA-N 2 1 400.571 1.548 50 0 HDAAMP Cc1cnc(C)nc1N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071576204 558905436 /nfs/dbraw/zinc/90/54/36/558905436.db2.gz QWDFJESMQJFSDE-LJQANCHMSA-N 2 1 400.571 1.548 50 0 HDAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCNC(=O)CC1 ZINC000082120495 559039324 /nfs/dbraw/zinc/03/93/24/559039324.db2.gz CXZCUUORTAGNIW-OAQYLSRUSA-N 2 1 412.578 1.754 50 0 HDAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCNC(=O)CC1 ZINC000082120495 559039325 /nfs/dbraw/zinc/03/93/25/559039325.db2.gz CXZCUUORTAGNIW-OAQYLSRUSA-N 2 1 412.578 1.754 50 0 HDAAMP CN(C)c1cc[nH+]c(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299801051 568876761 /nfs/dbraw/zinc/87/67/61/568876761.db2.gz YBSIHWKGFKQUSX-GOSISDBHSA-N 2 1 402.543 1.304 50 0 HDAAMP Cn1c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1C[NH+]1CCCC1 ZINC000085875187 569009455 /nfs/dbraw/zinc/00/94/55/569009455.db2.gz DFVUKPFFMHXSSI-SJORKVTESA-N 2 1 410.518 1.468 50 0 biogenic HDAAMP CN1CC[NH+](CCCNC(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)CC1 ZINC000065256325 569208364 /nfs/dbraw/zinc/20/83/64/569208364.db2.gz FMKDLYIBJBHECE-QFIPXVFZSA-N 2 1 422.577 1.600 50 0 HDAAMP C[N@@H+](CCN1CCOCC1)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000020406388 558360206 /nfs/dbraw/zinc/36/02/06/558360206.db2.gz VWOLCJHMZQKSQC-HXUWFJFHSA-N 2 1 409.596 1.239 50 0 HDAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cc1nonc1C ZINC000015074594 558715268 /nfs/dbraw/zinc/71/52/68/558715268.db2.gz CHUIGBLOJYFQGV-LJQANCHMSA-N 2 1 407.559 1.592 50 0 HDAAMP Cc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071576202 558905475 /nfs/dbraw/zinc/90/54/75/558905475.db2.gz QWDFJESMQJFSDE-IBGZPJMESA-N 2 1 400.571 1.548 50 0 HDAAMP Cc1cnc(C)nc1N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071576202 558905479 /nfs/dbraw/zinc/90/54/79/558905479.db2.gz QWDFJESMQJFSDE-IBGZPJMESA-N 2 1 400.571 1.548 50 0 HDAAMP CNc1nc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)cc(C)[nH+]1 ZINC000071639508 558906070 /nfs/dbraw/zinc/90/60/70/558906070.db2.gz XOKYTBSGDAVLGP-KRWDZBQOSA-N 2 1 402.543 1.366 50 0 HDAAMP CC(C)([NH3+])C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082098543 559037831 /nfs/dbraw/zinc/03/78/31/559037831.db2.gz AJLIWWZEWDIVFB-IBGZPJMESA-N 2 1 400.567 1.786 50 0 HDAAMP CC(C)([NH3+])C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082098544 559037954 /nfs/dbraw/zinc/03/79/54/559037954.db2.gz AJLIWWZEWDIVFB-LJQANCHMSA-N 2 1 400.567 1.786 50 0 HDAAMP O=C(C[NH+]1CCCC1)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082106829 559038290 /nfs/dbraw/zinc/03/82/90/559038290.db2.gz QNBJOTGOTLUNHV-LJQANCHMSA-N 2 1 413.566 1.497 50 0 HDAAMP Cc1ccccc1[C@@]1(CC(=O)N2CC[N@H+](C)[C@H](C)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758755 568873251 /nfs/dbraw/zinc/87/32/51/568873251.db2.gz OYBPZDYXTUJALO-WZONZLPQSA-N 2 1 414.550 1.106 50 0 HDAAMP Cc1ccccc1[C@@]1(CC(=O)N2CC[N@@H+](C)[C@H](C)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758755 568873253 /nfs/dbraw/zinc/87/32/53/568873253.db2.gz OYBPZDYXTUJALO-WZONZLPQSA-N 2 1 414.550 1.106 50 0 HDAAMP CCOc1ccc(C(=O)N(CC[N@H+]2CCCC[C@H]2C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000015864154 569016457 /nfs/dbraw/zinc/01/64/57/569016457.db2.gz PUYFPYYCHVWXDF-LJQANCHMSA-N 2 1 416.566 1.834 50 0 HDAAMP CCCC[N@H+]1CCn2nc(CNC(=O)c3cn(C[C@H]4CCC[NH2+]C4)nn3)cc2C1 ZINC000426369234 569072511 /nfs/dbraw/zinc/07/25/11/569072511.db2.gz NQTILLBKYGBJEO-INIZCTEOSA-N 2 1 400.531 1.020 50 0 HDAAMP CCc1ccc(S(=O)(=O)N(CC[NH+]2CCCCC2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974784 524010908 /nfs/dbraw/zinc/01/09/08/524010908.db2.gz XBACBGSMAMNZLF-UHFFFAOYSA-N 2 1 422.595 1.157 50 0 HDAAMP Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)C[NH+]2CCC(C(N)=O)CC2)C1 ZINC000012314029 558377541 /nfs/dbraw/zinc/37/75/41/558377541.db2.gz DCAQWVJGDXHGNS-HXUWFJFHSA-N 2 1 414.594 1.905 50 0 HDAAMP C[NH+]1CCN(C(=O)CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2N2CCOCC2)CC1 ZINC000014993928 558695619 /nfs/dbraw/zinc/69/56/19/558695619.db2.gz VRVCTLWREIRVOO-XZOQPEGZSA-N 2 1 414.594 1.764 50 0 HDAAMP C[NH+]1CCN(C(=O)CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2N2CCOCC2)CC1 ZINC000014993928 558695621 /nfs/dbraw/zinc/69/56/21/558695621.db2.gz VRVCTLWREIRVOO-XZOQPEGZSA-N 2 1 414.594 1.764 50 0 HDAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cc1nonc1C ZINC000015074595 558715262 /nfs/dbraw/zinc/71/52/62/558715262.db2.gz CHUIGBLOJYFQGV-IBGZPJMESA-N 2 1 407.559 1.592 50 0 HDAAMP COc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000035422048 558791687 /nfs/dbraw/zinc/79/16/87/558791687.db2.gz AIGSOMFPTKTKBQ-LJQANCHMSA-N 2 1 416.566 1.834 50 0 HDAAMP Cc1cc(C)nc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)n1 ZINC000071774502 558911465 /nfs/dbraw/zinc/91/14/65/558911465.db2.gz YOLDMZREVXJBRB-IBGZPJMESA-N 2 1 400.571 1.548 50 0 HDAAMP Cc1cc(C)nc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)n1 ZINC000071774502 558911467 /nfs/dbraw/zinc/91/14/67/558911467.db2.gz YOLDMZREVXJBRB-IBGZPJMESA-N 2 1 400.571 1.548 50 0 HDAAMP CC[NH+](CC)CCOCC[N@H+](CC(=O)N1CCN(C(C)=O)CC1)Cc1ccccc1 ZINC000096010188 568683770 /nfs/dbraw/zinc/68/37/70/568683770.db2.gz BYFWHLSGNDJKIT-UHFFFAOYSA-N 2 1 418.582 1.538 50 0 HDAAMP CC[NH+](CC)CCOCC[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)Cc1ccccc1 ZINC000096010188 568683772 /nfs/dbraw/zinc/68/37/72/568683772.db2.gz BYFWHLSGNDJKIT-UHFFFAOYSA-N 2 1 418.582 1.538 50 0 HDAAMP COc1ccc(C[N@H+]2CCCN(C(C)=O)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012703963 568917428 /nfs/dbraw/zinc/91/74/28/568917428.db2.gz VAVXZHQCLVEELY-OAQYLSRUSA-N 2 1 419.566 1.975 50 0 HDAAMP CCOCC[NH+]1CCN(c2cc(N3CC[N@H+](CCOCC)[C@H](C)C3)ncn2)C[C@H]1C ZINC000252510851 569291692 /nfs/dbraw/zinc/29/16/92/569291692.db2.gz CGPBELXXEAEBJR-WOJBJXKFSA-N 2 1 420.602 1.571 50 0 HDAAMP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000079066751 569426540 /nfs/dbraw/zinc/42/65/40/569426540.db2.gz LJVBCERZVHTEPW-RBBKRZOGSA-N 2 1 413.518 1.827 50 0 HDAAMP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000079066751 569426542 /nfs/dbraw/zinc/42/65/42/569426542.db2.gz LJVBCERZVHTEPW-RBBKRZOGSA-N 2 1 413.518 1.827 50 0 HDAAMP Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC000012305532 132358303 /nfs/dbraw/zinc/35/83/03/132358303.db2.gz QKJHUDCEHICQFE-OAQYLSRUSA-N 2 1 400.567 1.830 50 0 HDAAMP CCc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000045974521 524010687 /nfs/dbraw/zinc/01/06/87/524010687.db2.gz LGXJDEXGQGKAGD-LJQANCHMSA-N 2 1 422.595 1.156 50 0 HDAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H](CCSC)NC(C)=O ZINC000011996657 558306941 /nfs/dbraw/zinc/30/69/41/558306941.db2.gz HCVHCUVGYPEDDG-FQEVSTJZSA-N 2 1 412.644 1.899 50 0 HDAAMP C[N@H+]1CCCCC[C@H]1C(=O)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000012581087 558432726 /nfs/dbraw/zinc/43/27/26/558432726.db2.gz SUOLMFLLBNKZKC-NRFANRHFSA-N 2 1 420.598 1.423 50 0 HDAAMP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](CCc2ccccc2)C1 ZINC000014531826 558656377 /nfs/dbraw/zinc/65/63/77/558656377.db2.gz NBSUWWFCHMSBPN-FGZHOGPDSA-N 2 1 402.583 1.177 50 0 HDAAMP Cc1cc(C)nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)n1 ZINC000071774503 558911451 /nfs/dbraw/zinc/91/14/51/558911451.db2.gz YOLDMZREVXJBRB-LJQANCHMSA-N 2 1 400.571 1.548 50 0 HDAAMP Cc1cc(C)nc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)n1 ZINC000071774503 558911454 /nfs/dbraw/zinc/91/14/54/558911454.db2.gz YOLDMZREVXJBRB-LJQANCHMSA-N 2 1 400.571 1.548 50 0 HDAAMP CCCCOCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071776380 558911699 /nfs/dbraw/zinc/91/16/99/558911699.db2.gz BMHBVUKEYJDGDR-LJQANCHMSA-N 2 1 408.587 1.280 50 0 HDAAMP CCCCOCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071776380 558911703 /nfs/dbraw/zinc/91/17/03/558911703.db2.gz BMHBVUKEYJDGDR-LJQANCHMSA-N 2 1 408.587 1.280 50 0 HDAAMP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCN2CCN(C)CC2)cc1OC ZINC000023374200 559173554 /nfs/dbraw/zinc/17/35/54/559173554.db2.gz QQDKQTASQVNIAA-FQEVSTJZSA-N 2 1 408.587 1.114 50 0 HDAAMP CN1CC[NH+](CCCNC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)CC1 ZINC000065256326 569208448 /nfs/dbraw/zinc/20/84/48/569208448.db2.gz FMKDLYIBJBHECE-JOCHJYFZSA-N 2 1 422.577 1.600 50 0 HDAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]Cc4cnn(C)c4)CC3)cc2)CC1 ZINC000011913702 132352172 /nfs/dbraw/zinc/35/21/72/132352172.db2.gz HDMXJKDJKCJZFB-UHFFFAOYSA-N 2 1 410.566 1.956 50 0 HDAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(F)c1 ZINC000045966774 521632758 /nfs/dbraw/zinc/63/27/58/521632758.db2.gz ZANWKHRSJVFNMG-QGZVFWFLSA-N 2 1 408.493 1.713 50 0 HDAAMP CCc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000045974519 524010477 /nfs/dbraw/zinc/01/04/77/524010477.db2.gz LGXJDEXGQGKAGD-IBGZPJMESA-N 2 1 422.595 1.156 50 0 HDAAMP COc1ccc(C[NH2+]CCNC(C)=O)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012440268 558411515 /nfs/dbraw/zinc/41/15/15/558411515.db2.gz APUWGMSPAQZAMR-OAQYLSRUSA-N 2 1 415.534 1.793 50 0 HDAAMP O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[NH2+]C[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000014733555 558666198 /nfs/dbraw/zinc/66/61/98/558666198.db2.gz STFOJNBESVSUGI-VQTJNVASSA-N 2 1 414.550 1.178 50 0 HDAAMP COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000019228293 558852919 /nfs/dbraw/zinc/85/29/19/558852919.db2.gz CCQCMIDVKBOXHB-FQEVSTJZSA-N 2 1 403.567 1.961 50 0 HDAAMP CCOc1ccc(C(=O)N(CC[N@H+]2CCCC[C@@H]2C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000015864153 569016421 /nfs/dbraw/zinc/01/64/21/569016421.db2.gz PUYFPYYCHVWXDF-IBGZPJMESA-N 2 1 416.566 1.834 50 0 HDAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(c4ccc5nccn5n4)CC3)C2)CC1 ZINC000426683685 569073786 /nfs/dbraw/zinc/07/37/86/569073786.db2.gz BMVSMCFCZABURW-GOSISDBHSA-N 2 1 411.554 1.184 50 0 HDAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N3CCN(c4ccc5nccn5n4)CC3)C2)CC1 ZINC000426683685 569073787 /nfs/dbraw/zinc/07/37/87/569073787.db2.gz BMVSMCFCZABURW-GOSISDBHSA-N 2 1 411.554 1.184 50 0 HDAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(OC)c1 ZINC000045966758 521652954 /nfs/dbraw/zinc/65/29/54/521652954.db2.gz JMLZVHOWFGWLTD-IBGZPJMESA-N 2 1 402.539 1.444 50 0 HDAAMP CC[N@H+]1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1C ZINC000045974506 521653272 /nfs/dbraw/zinc/65/32/72/521653272.db2.gz NUUVWUZQODAZTF-IBGZPJMESA-N 2 1 422.595 1.210 50 0 HDAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@H+](Cc3nccn3C)C2)cn1 ZINC000014535948 558658201 /nfs/dbraw/zinc/65/82/01/558658201.db2.gz XAPQBXMFNRIRLV-RBUKOAKNSA-N 2 1 414.554 1.318 50 0 HDAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@@H+](Cc3nccn3C)C2)cn1 ZINC000014535948 558658202 /nfs/dbraw/zinc/65/82/02/558658202.db2.gz XAPQBXMFNRIRLV-RBUKOAKNSA-N 2 1 414.554 1.318 50 0 HDAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc[n+]([O-])c1 ZINC000015072153 558713538 /nfs/dbraw/zinc/71/35/38/558713538.db2.gz WMKAWLQDYDUZND-OAQYLSRUSA-N 2 1 404.555 1.605 50 0 HDAAMP CNc1nc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)cc(C)[nH+]1 ZINC000071639510 558906175 /nfs/dbraw/zinc/90/61/75/558906175.db2.gz XOKYTBSGDAVLGP-QGZVFWFLSA-N 2 1 402.543 1.366 50 0 HDAAMP CNc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082170834 559042185 /nfs/dbraw/zinc/04/21/85/559042185.db2.gz MHDWITIOSMGFBP-KRWDZBQOSA-N 2 1 409.538 1.911 50 0 HDAAMP CNc1cc[nH+]c(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082170834 559042186 /nfs/dbraw/zinc/04/21/86/559042186.db2.gz MHDWITIOSMGFBP-KRWDZBQOSA-N 2 1 409.538 1.911 50 0 HDAAMP Cc1ccccc1[C@]1(CC(=O)N2CC[N@H+](C)[C@@H](C)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758752 568873165 /nfs/dbraw/zinc/87/31/65/568873165.db2.gz OYBPZDYXTUJALO-MBSDFSHPSA-N 2 1 414.550 1.106 50 0 HDAAMP Cc1ccccc1[C@]1(CC(=O)N2CC[N@@H+](C)[C@@H](C)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758752 568873168 /nfs/dbraw/zinc/87/31/68/568873168.db2.gz OYBPZDYXTUJALO-MBSDFSHPSA-N 2 1 414.550 1.106 50 0 HDAAMP C[N@@H+](CCN1CCOCC1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000020406386 558360224 /nfs/dbraw/zinc/36/02/24/558360224.db2.gz VWOLCJHMZQKSQC-FQEVSTJZSA-N 2 1 409.596 1.239 50 0 HDAAMP C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000012581079 558432548 /nfs/dbraw/zinc/43/25/48/558432548.db2.gz SUOLMFLLBNKZKC-OAQYLSRUSA-N 2 1 420.598 1.423 50 0 HDAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCc3cscn3)c2)CC1 ZINC000023374364 558553980 /nfs/dbraw/zinc/55/39/80/558553980.db2.gz NYTIOTNPDSUMIR-HXUWFJFHSA-N 2 1 404.580 1.853 50 0 HDAAMP Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)no1 ZINC000071754398 558909339 /nfs/dbraw/zinc/90/93/39/558909339.db2.gz MZKBXLBGPQLOCJ-KRWDZBQOSA-N 2 1 403.527 1.074 50 0 HDAAMP Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)no1 ZINC000071754398 558909341 /nfs/dbraw/zinc/90/93/41/558909341.db2.gz MZKBXLBGPQLOCJ-KRWDZBQOSA-N 2 1 403.527 1.074 50 0 HDAAMP CC[NH+]1CCN(CCCN2CC3(CC[NH+](Cc4cc(C)no4)CC3)OC2=O)CC1 ZINC000072408388 558977457 /nfs/dbraw/zinc/97/74/57/558977457.db2.gz ZWNSUAPBCCUMBS-UHFFFAOYSA-N 2 1 405.543 1.797 50 0 HDAAMP CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1=O ZINC000082093067 559037318 /nfs/dbraw/zinc/03/73/18/559037318.db2.gz DUTBXZDQUMIYRR-NRFANRHFSA-N 2 1 412.578 1.706 50 0 HDAAMP CN1CCN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1=O ZINC000082093067 559037319 /nfs/dbraw/zinc/03/73/19/559037319.db2.gz DUTBXZDQUMIYRR-NRFANRHFSA-N 2 1 412.578 1.706 50 0 HDAAMP CC[N@@H+](C)CC(=O)N1CCC([NH+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082138572 559040636 /nfs/dbraw/zinc/04/06/36/559040636.db2.gz MDRIIUBUGKPUCZ-SFHVURJKSA-N 2 1 401.555 1.353 50 0 HDAAMP CC[NH+](C)CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082138572 559040637 /nfs/dbraw/zinc/04/06/37/559040637.db2.gz MDRIIUBUGKPUCZ-SFHVURJKSA-N 2 1 401.555 1.353 50 0 HDAAMP CC[NH+](C)CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082138572 559040638 /nfs/dbraw/zinc/04/06/38/559040638.db2.gz MDRIIUBUGKPUCZ-SFHVURJKSA-N 2 1 401.555 1.353 50 0 HDAAMP C[NH+](C)CC(=O)N1CCC(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095527487 559086350 /nfs/dbraw/zinc/08/63/50/559086350.db2.gz KJXSJVWMRNOHCU-NRFANRHFSA-N 2 1 400.567 1.958 50 0 HDAAMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CC[NH+](CC)CC1 ZINC000020287887 568597465 /nfs/dbraw/zinc/59/74/65/568597465.db2.gz OAHJPOATIDDZAC-IEBWSBKVSA-N 2 1 423.627 1.389 50 0 HDAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc(OCCO)c3)C[C@H]2CCO)CC1 ZINC000104408300 569008517 /nfs/dbraw/zinc/00/85/17/569008517.db2.gz CUZDEKPCWNCESG-JOCHJYFZSA-N 2 1 405.583 1.799 50 0 HDAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc(OCCO)c3)C[C@H]2CCO)CC1 ZINC000104408300 569008518 /nfs/dbraw/zinc/00/85/18/569008518.db2.gz CUZDEKPCWNCESG-JOCHJYFZSA-N 2 1 405.583 1.799 50 0 HDAAMP O=C(NCCC[NH+]1CCOCC1)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065255908 569208100 /nfs/dbraw/zinc/20/81/00/569208100.db2.gz VLILMBNFPWCJQY-OAQYLSRUSA-N 2 1 409.534 1.685 50 0 HDAAMP COC[C@@H](O)CNC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000012052547 558314620 /nfs/dbraw/zinc/31/46/20/558314620.db2.gz FTFLNOYLYOLGAE-QFIPXVFZSA-N 2 1 403.567 1.795 50 0 HDAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(c4noc(C5CC5)n4)CC3)C2)CC1 ZINC000071661827 558906535 /nfs/dbraw/zinc/90/65/35/558906535.db2.gz SUBXEYDBACXNOP-KRWDZBQOSA-N 2 1 402.543 1.402 50 0 HDAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(c4noc(C5CC5)n4)CC3)C2)CC1 ZINC000071661827 558906538 /nfs/dbraw/zinc/90/65/38/558906538.db2.gz SUBXEYDBACXNOP-KRWDZBQOSA-N 2 1 402.543 1.402 50 0 HDAAMP O=C(c1nc2ccccn2c1C[N@H+]1CC[C@@H](O)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000071682114 558906642 /nfs/dbraw/zinc/90/66/42/558906642.db2.gz DDQJERQYFPMRBE-LJQANCHMSA-N 2 1 411.550 1.991 50 0 HDAAMP O=C(c1nc2ccccn2c1C[N@@H+]1CC[C@@H](O)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000071682114 558906644 /nfs/dbraw/zinc/90/66/44/558906644.db2.gz DDQJERQYFPMRBE-LJQANCHMSA-N 2 1 411.550 1.991 50 0 HDAAMP COc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c(OC)c1 ZINC000004700163 558907768 /nfs/dbraw/zinc/90/77/68/558907768.db2.gz KHKIFGBSGVAEJO-UHFFFAOYSA-N 2 1 405.539 1.754 50 0 HDAAMP O=C(C[NH+]1CCCC1)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082106830 559038368 /nfs/dbraw/zinc/03/83/68/559038368.db2.gz QNBJOTGOTLUNHV-IBGZPJMESA-N 2 1 413.566 1.497 50 0 HDAAMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082136953 559040250 /nfs/dbraw/zinc/04/02/50/559040250.db2.gz NTTSFIPXKPZZBP-IBGZPJMESA-N 2 1 415.582 1.741 50 0 HDAAMP CC(C)[NH+](C)CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082136953 559040251 /nfs/dbraw/zinc/04/02/51/559040251.db2.gz NTTSFIPXKPZZBP-IBGZPJMESA-N 2 1 415.582 1.741 50 0 HDAAMP CC(C)[NH+](C)CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082136953 559040253 /nfs/dbraw/zinc/04/02/53/559040253.db2.gz NTTSFIPXKPZZBP-IBGZPJMESA-N 2 1 415.582 1.741 50 0 HDAAMP CC[N@H+]1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000015864141 569016315 /nfs/dbraw/zinc/01/63/15/569016315.db2.gz QSCLQECXDRSLLH-FQEVSTJZSA-N 2 1 415.538 1.003 50 0 HDAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(OC)cc1 ZINC000045966811 521633076 /nfs/dbraw/zinc/63/30/76/521633076.db2.gz OWBWOUXLBDTOJZ-LJQANCHMSA-N 2 1 402.539 1.444 50 0 HDAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(F)c1 ZINC000045966776 521653734 /nfs/dbraw/zinc/65/37/34/521653734.db2.gz ZANWKHRSJVFNMG-KRWDZBQOSA-N 2 1 408.493 1.713 50 0 HDAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)Cn1cncn1 ZINC000012594213 558436801 /nfs/dbraw/zinc/43/68/01/558436801.db2.gz ZVLACJDVNMWSNW-SFHVURJKSA-N 2 1 402.518 1.720 50 0 HDAAMP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](CCc2ccccc2)C1 ZINC000023352267 558550800 /nfs/dbraw/zinc/55/08/00/558550800.db2.gz RPUZWQSJHMSHQN-DHIUTWEWSA-N 3 1 415.626 1.092 50 0 HDAAMP CN1CCN(C[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@H+](CCc3ccccc3)C2)CC1 ZINC000023352267 558550801 /nfs/dbraw/zinc/55/08/01/558550801.db2.gz RPUZWQSJHMSHQN-DHIUTWEWSA-N 2 1 415.626 1.092 50 0 HDAAMP CN1CCN(C[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@@H+](CCc3ccccc3)C2)CC1 ZINC000023352267 558550804 /nfs/dbraw/zinc/55/08/04/558550804.db2.gz RPUZWQSJHMSHQN-DHIUTWEWSA-N 2 1 415.626 1.092 50 0 HDAAMP Cc1cc(C)cc(C[NH+]2CCc3nnc(CCNC(=O)[C@H]4CCC[N@H+](C)C4)n3CC2)c1 ZINC000014881351 558676131 /nfs/dbraw/zinc/67/61/31/558676131.db2.gz NSABDKKJEOAORU-NRFANRHFSA-N 2 1 424.593 1.954 50 0 HDAAMP Cc1cc(C)cc(C[N@H+]2CCc3nnc(CCNC(=O)[C@H]4CCC[NH+](C)C4)n3CC2)c1 ZINC000014881351 558676135 /nfs/dbraw/zinc/67/61/35/558676135.db2.gz NSABDKKJEOAORU-NRFANRHFSA-N 2 1 424.593 1.954 50 0 HDAAMP Cc1cc(C)cc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@H]4CCC[NH+](C)C4)n3CC2)c1 ZINC000014881351 558676137 /nfs/dbraw/zinc/67/61/37/558676137.db2.gz NSABDKKJEOAORU-NRFANRHFSA-N 2 1 424.593 1.954 50 0 HDAAMP CC(=O)N1CCc2c(nc(C)nc2N2CCC[N@H+](CCC[NH+]3CCCC3)CC2)C1 ZINC000071738568 558908115 /nfs/dbraw/zinc/90/81/15/558908115.db2.gz IYOJGEVYKVEROV-UHFFFAOYSA-N 2 1 400.571 1.688 50 0 HDAAMP CC(=O)N1CCc2c(nc(C)nc2N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)C1 ZINC000071738568 558908117 /nfs/dbraw/zinc/90/81/17/558908117.db2.gz IYOJGEVYKVEROV-UHFFFAOYSA-N 2 1 400.571 1.688 50 0 HDAAMP CCc1cc(C[NH+]2CCC3(CN(CCN4CC[NH+](CC)CC4)C(=O)O3)CC2)on1 ZINC000072425405 558978967 /nfs/dbraw/zinc/97/89/67/558978967.db2.gz HSWRJULLJXETSC-UHFFFAOYSA-N 2 1 405.543 1.661 50 0 HDAAMP O=C(C[NH+]1CCCC1)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082161048 559041711 /nfs/dbraw/zinc/04/17/11/559041711.db2.gz MPXISAKNMDWBAO-HXUWFJFHSA-N 2 1 413.566 1.497 50 0 HDAAMP CN(C)C(=O)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091951080 559074835 /nfs/dbraw/zinc/07/48/35/559074835.db2.gz PYJAXSHSLSFCGO-FQEVSTJZSA-N 2 1 412.578 1.535 50 0 HDAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](Cc1cnc(N(C)C)nc1)C2 ZINC000095365222 559080062 /nfs/dbraw/zinc/08/00/62/559080062.db2.gz CBILMBUCAXRVPU-SJBKTWHCSA-N 2 1 403.571 1.882 50 0 HDAAMP COc1ccc(C[N@H+]2CCCN(C(C)=O)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012703960 568917510 /nfs/dbraw/zinc/91/75/10/568917510.db2.gz VAVXZHQCLVEELY-NRFANRHFSA-N 2 1 419.566 1.975 50 0 HDAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(c4ccc5nccn5n4)CC3)C2)CC1 ZINC000426683692 569073772 /nfs/dbraw/zinc/07/37/72/569073772.db2.gz BMVSMCFCZABURW-SFHVURJKSA-N 2 1 411.554 1.184 50 0 HDAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3CCN(c4ccc5nccn5n4)CC3)C2)CC1 ZINC000426683692 569073773 /nfs/dbraw/zinc/07/37/73/569073773.db2.gz BMVSMCFCZABURW-SFHVURJKSA-N 2 1 411.554 1.184 50 0 HDAAMP O=C(NCCC[NH+]1CCOCC1)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065255907 569208048 /nfs/dbraw/zinc/20/80/48/569208048.db2.gz VLILMBNFPWCJQY-NRFANRHFSA-N 2 1 409.534 1.685 50 0 HDAAMP COc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000011816803 558280091 /nfs/dbraw/zinc/28/00/91/558280091.db2.gz WORHZOPCTAIHHU-IBGZPJMESA-N 2 1 404.511 1.062 50 0 HDAAMP COc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000011816804 558280103 /nfs/dbraw/zinc/28/01/03/558280103.db2.gz WORHZOPCTAIHHU-LJQANCHMSA-N 2 1 404.511 1.062 50 0 HDAAMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000011820106 558283442 /nfs/dbraw/zinc/28/34/42/558283442.db2.gz HCEWJZQTHOYOCF-HXUWFJFHSA-N 2 1 418.538 1.452 50 0 HDAAMP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)CC2CCOCC2)c1 ZINC000012386899 558395858 /nfs/dbraw/zinc/39/58/58/558395858.db2.gz WNMGAKKXUYICDC-NRFANRHFSA-N 2 1 422.566 1.750 50 0 HDAAMP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000011661788 559127043 /nfs/dbraw/zinc/12/70/43/559127043.db2.gz YTXPIWVANMBZFR-FQEVSTJZSA-N 2 1 423.623 1.915 50 0 HDAAMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CC[NH+](CC)CC1 ZINC000020287889 568597534 /nfs/dbraw/zinc/59/75/34/568597534.db2.gz OAHJPOATIDDZAC-HKUYNNGSSA-N 2 1 423.627 1.389 50 0 HDAAMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CC[NH+](CC)CC1 ZINC000020287891 568597565 /nfs/dbraw/zinc/59/75/65/568597565.db2.gz OAHJPOATIDDZAC-MJGOQNOKSA-N 2 1 423.627 1.389 50 0 HDAAMP O=C(NCCC[NH+]1CCOCC1)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256241 569208174 /nfs/dbraw/zinc/20/81/74/569208174.db2.gz KBFLVSACVSGYRX-NRFANRHFSA-N 2 1 409.534 1.685 50 0 HDAAMP Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCCC2)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000045974778 525511971 /nfs/dbraw/zinc/51/19/71/525511971.db2.gz ZHWUMUYJGLASED-UHFFFAOYSA-N 2 1 422.595 1.212 50 0 HDAAMP COc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(c4cc(C)[nH+]c(C)n4)CC3)C2=O)cc1 ZINC000004770827 557596479 /nfs/dbraw/zinc/59/64/79/557596479.db2.gz NHCUJEZIPLIHQR-IBGZPJMESA-N 2 1 409.490 1.993 50 0 HDAAMP COc1cc(C[N@@H+]2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000011839557 558286112 /nfs/dbraw/zinc/28/61/12/558286112.db2.gz LQJNYUTUNFROEM-HXUWFJFHSA-N 2 1 407.555 1.829 50 0 HDAAMP COc1cc(C[N@H+]2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000011839557 558286116 /nfs/dbraw/zinc/28/61/16/558286116.db2.gz LQJNYUTUNFROEM-HXUWFJFHSA-N 2 1 407.555 1.829 50 0 HDAAMP COc1cc(C[NH+]2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011839557 558286118 /nfs/dbraw/zinc/28/61/18/558286118.db2.gz LQJNYUTUNFROEM-HXUWFJFHSA-N 2 1 407.555 1.829 50 0 HDAAMP COc1cc(C[NH+]2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000011839557 558286121 /nfs/dbraw/zinc/28/61/21/558286121.db2.gz LQJNYUTUNFROEM-HXUWFJFHSA-N 2 1 407.555 1.829 50 0 HDAAMP COc1ccc(C[N@@H+]2CCCN(C=O)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012051262 558314169 /nfs/dbraw/zinc/31/41/69/558314169.db2.gz AWQYFUHXSSOWOY-HXUWFJFHSA-N 2 1 405.539 1.585 50 0 HDAAMP COc1ccc(C[N@H+]2CCCN(C=O)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012051262 558314170 /nfs/dbraw/zinc/31/41/70/558314170.db2.gz AWQYFUHXSSOWOY-HXUWFJFHSA-N 2 1 405.539 1.585 50 0 HDAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cc[n+]([O-])cc1 ZINC000012073096 558318283 /nfs/dbraw/zinc/31/82/83/558318283.db2.gz SLFOCQZQFDSCTM-NRFANRHFSA-N 2 1 404.555 1.605 50 0 HDAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C2(C(N)=O)CC2)C1 ZINC000012299344 558369261 /nfs/dbraw/zinc/36/92/61/558369261.db2.gz KCTYRIQXLCPHIC-GOSISDBHSA-N 2 1 416.566 1.563 50 0 HDAAMP COc1cc(C(=O)NCC[N@H+]2CCCC[C@H]2CO)ccc1OC1CC[NH+](C)CC1 ZINC000012439226 558410913 /nfs/dbraw/zinc/41/09/13/558410913.db2.gz XLFKKGHMTCMRBW-SFHVURJKSA-N 2 1 405.539 1.745 50 0 HDAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)Cn1cncn1 ZINC000012594209 558436820 /nfs/dbraw/zinc/43/68/20/558436820.db2.gz ZVLACJDVNMWSNW-GOSISDBHSA-N 2 1 402.518 1.720 50 0 HDAAMP Cc1ocnc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071714941 558907401 /nfs/dbraw/zinc/90/74/01/558907401.db2.gz ZOMNORAVVMOSFA-QGZVFWFLSA-N 2 1 403.527 1.074 50 0 HDAAMP Cc1ocnc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071714941 558907403 /nfs/dbraw/zinc/90/74/03/558907403.db2.gz ZOMNORAVVMOSFA-QGZVFWFLSA-N 2 1 403.527 1.074 50 0 HDAAMP COCC[N@@H+](C)CCN1CC2(CCN(C(=O)C[NH+]3CCCCCC3)CC2)OC1=O ZINC000077380038 559002982 /nfs/dbraw/zinc/00/29/82/559002982.db2.gz UCOHDKAUFUAKRC-UHFFFAOYSA-N 2 1 410.559 1.254 50 0 HDAAMP O=C(C[NH+]1CCCC1)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082161050 559041747 /nfs/dbraw/zinc/04/17/47/559041747.db2.gz MPXISAKNMDWBAO-FQEVSTJZSA-N 2 1 413.566 1.497 50 0 HDAAMP CC(C)(NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)C(N)=O ZINC000092028203 559075089 /nfs/dbraw/zinc/07/50/89/559075089.db2.gz LEAOUPCBKUXDMT-LJQANCHMSA-N 2 1 400.567 1.786 50 0 HDAAMP CC(C)(NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)C(N)=O ZINC000092028203 559075090 /nfs/dbraw/zinc/07/50/90/559075090.db2.gz LEAOUPCBKUXDMT-LJQANCHMSA-N 2 1 400.567 1.786 50 0 HDAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH+]3CCC4(CCO4)CC3)c2)CC1 ZINC000095519616 559084901 /nfs/dbraw/zinc/08/49/01/559084901.db2.gz WVVFJVRGIBQPPI-NRFANRHFSA-N 2 1 403.567 1.819 50 0 HDAAMP COc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(c4cc(C)[nH+]c(C)n4)CC3)C2=O)cc1 ZINC000100213529 559132014 /nfs/dbraw/zinc/13/20/14/559132014.db2.gz NHCUJEZIPLIHQR-LJQANCHMSA-N 2 1 409.490 1.993 50 0 HDAAMP CC[N@@H+](CCC1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1)CC(C)C ZINC000095459574 568619744 /nfs/dbraw/zinc/61/97/44/568619744.db2.gz XADNMTLBTPAFNN-UHFFFAOYSA-N 2 1 418.586 1.514 50 0 HDAAMP CCOCC[NH+]1CCN(c2cc(N3CC[N@H+](CCOCC)[C@@H](C)C3)ncn2)C[C@H]1C ZINC000095974087 568672008 /nfs/dbraw/zinc/67/20/08/568672008.db2.gz CGPBELXXEAEBJR-BGYRXZFFSA-N 2 1 420.602 1.571 50 0 HDAAMP CCOCC[NH+]1CCN(c2cc(N3CC[N@H+](CCOCC)[C@H](C)C3)ncn2)C[C@@H]1C ZINC000095974087 568672011 /nfs/dbraw/zinc/67/20/11/568672011.db2.gz CGPBELXXEAEBJR-BGYRXZFFSA-N 2 1 420.602 1.571 50 0 HDAAMP CCOCC[NH+]1CCN(c2cc(N3CC[N@@H+](CCOCC)[C@H](C)C3)ncn2)C[C@@H]1C ZINC000095974087 568672014 /nfs/dbraw/zinc/67/20/14/568672014.db2.gz CGPBELXXEAEBJR-BGYRXZFFSA-N 2 1 420.602 1.571 50 0 HDAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(OC)c1 ZINC000045966756 521633597 /nfs/dbraw/zinc/63/35/97/521633597.db2.gz JMLZVHOWFGWLTD-LJQANCHMSA-N 2 1 402.539 1.444 50 0 HDAAMP Cc1ccc(C)c(S(=O)(=O)N(CC[NH+]2CCCCC2)CC(=O)N2CC[NH2+]CC2)c1 ZINC000045974772 524185568 /nfs/dbraw/zinc/18/55/68/524185568.db2.gz HEPFENZDUXFCQU-UHFFFAOYSA-N 2 1 422.595 1.212 50 0 HDAAMP COc1ccc(C[NH+](CCO)CCO)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012297608 558367594 /nfs/dbraw/zinc/36/75/94/558367594.db2.gz IWEAHIKPGUDYLC-OAQYLSRUSA-N 2 1 418.534 1.354 50 0 HDAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)C2(C(N)=O)CC2)C1 ZINC000012299345 558369153 /nfs/dbraw/zinc/36/91/53/558369153.db2.gz KCTYRIQXLCPHIC-SFHVURJKSA-N 2 1 416.566 1.563 50 0 HDAAMP C[NH+]1CCN(C[C@H]2C[C@@H](C(=O)N3CCCC3)C[N@@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000023352402 558550817 /nfs/dbraw/zinc/55/08/17/558550817.db2.gz KDCODICYOSUSBW-NHCUHLMSSA-N 2 1 400.567 1.700 50 0 HDAAMP CCCCOCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071776379 558911811 /nfs/dbraw/zinc/91/18/11/558911811.db2.gz BMHBVUKEYJDGDR-IBGZPJMESA-N 2 1 408.587 1.280 50 0 HDAAMP CCCCOCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071776379 558911812 /nfs/dbraw/zinc/91/18/12/558911812.db2.gz BMHBVUKEYJDGDR-IBGZPJMESA-N 2 1 408.587 1.280 50 0 HDAAMP CC(C)[NH+]1CCN(CCCN2CC3(CCN(C4CC[NH2+]CC4)CC3)OC2=O)CC1 ZINC000072474304 558983752 /nfs/dbraw/zinc/98/37/52/558983752.db2.gz FVVABAISGRWQFB-UHFFFAOYSA-N 2 1 407.603 1.441 50 0 HDAAMP C[NH+](C)CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082120271 559039235 /nfs/dbraw/zinc/03/92/35/559039235.db2.gz MOCUYHLCXYCBSW-HXUWFJFHSA-N 2 1 400.567 1.610 50 0 HDAAMP C[NH+](C)CCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082137183 559040229 /nfs/dbraw/zinc/04/02/29/559040229.db2.gz VXFRNEUCWAOEPM-SFHVURJKSA-N 2 1 401.555 1.353 50 0 HDAAMP O=C(C[NH+]1CCC(c2ccccc2)CC1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091616639 559072424 /nfs/dbraw/zinc/07/24/24/559072424.db2.gz PFKYGQLQGOOTFR-FGZHOGPDSA-N 2 1 401.551 1.265 50 0 HDAAMP CC[N@@H+](CCn1cccn1)Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000011813800 558278165 /nfs/dbraw/zinc/27/81/65/558278165.db2.gz CRGQTWBWYHQYAU-NRFANRHFSA-N 2 1 402.539 1.602 50 0 HDAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH2+]CC1(O)CCCCC1)C2 ZINC000020166177 558342809 /nfs/dbraw/zinc/34/28/09/558342809.db2.gz UIXQXBINUCKKCD-GOSISDBHSA-N 2 1 417.598 1.823 50 0 HDAAMP COc1cc(C[N@H+](C)Cc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012582767 558433138 /nfs/dbraw/zinc/43/31/38/558433138.db2.gz POISODKGWGPARE-IBGZPJMESA-N 2 1 420.579 1.849 50 0 HDAAMP COc1cc(C[N@@H+](C)Cc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012582767 558433141 /nfs/dbraw/zinc/43/31/41/558433141.db2.gz POISODKGWGPARE-IBGZPJMESA-N 2 1 420.579 1.849 50 0 HDAAMP COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000019228296 558852967 /nfs/dbraw/zinc/85/29/67/558852967.db2.gz CCQCMIDVKBOXHB-HXUWFJFHSA-N 2 1 403.567 1.961 50 0 HDAAMP CCc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)ncn1 ZINC000071764417 558910316 /nfs/dbraw/zinc/91/03/16/558910316.db2.gz VINWTVFUHWCPHC-GOSISDBHSA-N 2 1 400.571 1.494 50 0 HDAAMP CCc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)ncn1 ZINC000071764417 558910318 /nfs/dbraw/zinc/91/03/18/558910318.db2.gz VINWTVFUHWCPHC-GOSISDBHSA-N 2 1 400.571 1.494 50 0 HDAAMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000011820105 558283376 /nfs/dbraw/zinc/28/33/76/558283376.db2.gz HCEWJZQTHOYOCF-FQEVSTJZSA-N 2 1 418.538 1.452 50 0 HDAAMP Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C[NH+]2CCC(C(N)=O)CC2)C1 ZINC000012314028 558377507 /nfs/dbraw/zinc/37/75/07/558377507.db2.gz DCAQWVJGDXHGNS-FQEVSTJZSA-N 2 1 414.594 1.905 50 0 HDAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCCn1cncn1 ZINC000012457506 558417755 /nfs/dbraw/zinc/41/77/55/558417755.db2.gz QIEHICOYSLJOML-NRFANRHFSA-N 2 1 420.602 1.730 50 0 HDAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCCn3cccn3)c2)CC1 ZINC000022913460 558520550 /nfs/dbraw/zinc/52/05/50/558520550.db2.gz MFYWIXZOYAFCQP-OAQYLSRUSA-N 2 1 401.555 1.440 50 0 HDAAMP c1ccc(CNCc2ccc(CN3CCC[NH2+]CCNCCC[NH2+]CC3)cc2)nc1 ZINC000019361903 558876622 /nfs/dbraw/zinc/87/66/22/558876622.db2.gz CWJJHESJXJQCJA-UHFFFAOYSA-N 2 1 410.610 1.736 50 0 in-vitro HDAAMP CCCc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)no1 ZINC000071416215 558897639 /nfs/dbraw/zinc/89/76/39/558897639.db2.gz UWKHSTYNZPOMQH-KRWDZBQOSA-N 2 1 404.559 1.477 50 0 HDAAMP CCCc1nc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)no1 ZINC000071416215 558897642 /nfs/dbraw/zinc/89/76/42/558897642.db2.gz UWKHSTYNZPOMQH-KRWDZBQOSA-N 2 1 404.559 1.477 50 0 HDAAMP Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)no1 ZINC000071754399 558909387 /nfs/dbraw/zinc/90/93/87/558909387.db2.gz MZKBXLBGPQLOCJ-QGZVFWFLSA-N 2 1 403.527 1.074 50 0 HDAAMP Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)no1 ZINC000071754399 558909389 /nfs/dbraw/zinc/90/93/89/558909389.db2.gz MZKBXLBGPQLOCJ-QGZVFWFLSA-N 2 1 403.527 1.074 50 0 HDAAMP Cn1cccc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071765440 558910564 /nfs/dbraw/zinc/91/05/64/558910564.db2.gz PDMCPJRIZSJMIX-GOSISDBHSA-N 2 1 401.555 1.116 50 0 HDAAMP Cn1cccc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071765440 558910567 /nfs/dbraw/zinc/91/05/67/558910567.db2.gz PDMCPJRIZSJMIX-GOSISDBHSA-N 2 1 401.555 1.116 50 0 HDAAMP COc1cc(C[N@H+](C)Cc2cnn(C)c2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012582774 558433150 /nfs/dbraw/zinc/43/31/50/558433150.db2.gz POISODKGWGPARE-LJQANCHMSA-N 2 1 420.579 1.849 50 0 HDAAMP COc1cc(C[N@@H+](C)Cc2cnn(C)c2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012582774 558433152 /nfs/dbraw/zinc/43/31/52/558433152.db2.gz POISODKGWGPARE-LJQANCHMSA-N 2 1 420.579 1.849 50 0 HDAAMP CCN1CCN(C[C@H](O)COc2cccc(C[NH2+]CC3CC[NH+](C)CC3)c2)CC1 ZINC000020235640 568595329 /nfs/dbraw/zinc/59/53/29/568595329.db2.gz CPNYUVQSLHIHDT-QFIPXVFZSA-N 2 1 404.599 1.495 50 0 HDAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CC3CC[NH+](C)CC3)c2)CC1 ZINC000020235640 568595331 /nfs/dbraw/zinc/59/53/31/568595331.db2.gz CPNYUVQSLHIHDT-QFIPXVFZSA-N 3 1 404.599 1.495 50 0 HDAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000015862689 569015973 /nfs/dbraw/zinc/01/59/73/569015973.db2.gz MXPOOYKTZNKVKM-IBGZPJMESA-N 2 1 422.595 1.292 50 0 HDAAMP CC[N@H+]1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000015864140 569016331 /nfs/dbraw/zinc/01/63/31/569016331.db2.gz QSCLQECXDRSLLH-HXUWFJFHSA-N 2 1 415.538 1.003 50 0 HDAAMP COc1ccc(C[N@@H+]2CCCN(C=O)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012051258 558314117 /nfs/dbraw/zinc/31/41/17/558314117.db2.gz AWQYFUHXSSOWOY-FQEVSTJZSA-N 2 1 405.539 1.585 50 0 HDAAMP COc1ccc(C[N@H+]2CCCN(C=O)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012051258 558314119 /nfs/dbraw/zinc/31/41/19/558314119.db2.gz AWQYFUHXSSOWOY-FQEVSTJZSA-N 2 1 405.539 1.585 50 0 HDAAMP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000079066763 569426571 /nfs/dbraw/zinc/42/65/71/569426571.db2.gz LJVBCERZVHTEPW-IFMALSPDSA-N 2 1 413.518 1.827 50 0 HDAAMP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000079066763 569426573 /nfs/dbraw/zinc/42/65/73/569426573.db2.gz LJVBCERZVHTEPW-IFMALSPDSA-N 2 1 413.518 1.827 50 0 HDAAMP C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1 ZINC000045966913 524106376 /nfs/dbraw/zinc/10/63/76/524106376.db2.gz PTEQJJBOAFDMDM-GOSISDBHSA-N 2 1 404.530 1.964 50 0 HDAAMP Cc1cc(C)cc(C[NH+]2CCc3nnc(CCNC(=O)[C@@H]4CCC[N@H+](C)C4)n3CC2)c1 ZINC000014881350 558676160 /nfs/dbraw/zinc/67/61/60/558676160.db2.gz NSABDKKJEOAORU-OAQYLSRUSA-N 2 1 424.593 1.954 50 0 HDAAMP Cc1cc(C)cc(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCC[NH+](C)C4)n3CC2)c1 ZINC000014881350 558676162 /nfs/dbraw/zinc/67/61/62/558676162.db2.gz NSABDKKJEOAORU-OAQYLSRUSA-N 2 1 424.593 1.954 50 0 HDAAMP Cc1cc(C)cc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCC[NH+](C)C4)n3CC2)c1 ZINC000014881350 558676166 /nfs/dbraw/zinc/67/61/66/558676166.db2.gz NSABDKKJEOAORU-OAQYLSRUSA-N 2 1 424.593 1.954 50 0 HDAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc[n+]([O-])c1 ZINC000015072155 558713462 /nfs/dbraw/zinc/71/34/62/558713462.db2.gz WMKAWLQDYDUZND-NRFANRHFSA-N 2 1 404.555 1.605 50 0 HDAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)c4cscn4)CC3)C2)CC1 ZINC000071760934 558910120 /nfs/dbraw/zinc/91/01/20/558910120.db2.gz OCAPBKHWXBUIFX-INIZCTEOSA-N 2 1 405.568 1.234 50 0 HDAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)c4cscn4)CC3)C2)CC1 ZINC000071760934 558910123 /nfs/dbraw/zinc/91/01/23/558910123.db2.gz OCAPBKHWXBUIFX-INIZCTEOSA-N 2 1 405.568 1.234 50 0 HDAAMP COCC[N@@H+](C)CCN1CC2(CC[NH+](Cc3cccc4nonc43)CC2)OC1=O ZINC000072429472 558979209 /nfs/dbraw/zinc/97/92/09/558979209.db2.gz ATQYSHOWKBVKKE-UHFFFAOYSA-N 2 1 403.483 1.588 50 0 HDAAMP CNc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082126827 559039841 /nfs/dbraw/zinc/03/98/41/559039841.db2.gz PAWBQPZVXRVLOR-GOSISDBHSA-N 2 1 409.538 1.911 50 0 HDAAMP CNc1cc[nH+]c(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082126827 559039842 /nfs/dbraw/zinc/03/98/42/559039842.db2.gz PAWBQPZVXRVLOR-GOSISDBHSA-N 2 1 409.538 1.911 50 0 HDAAMP CNC(=O)CN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091829575 559073707 /nfs/dbraw/zinc/07/37/07/559073707.db2.gz KPLVAKFLOSURBN-HXUWFJFHSA-N 2 1 412.578 1.535 50 0 HDAAMP CN1CC[NH+](CCCNC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)CC1 ZINC000065255991 569207990 /nfs/dbraw/zinc/20/79/90/569207990.db2.gz MMYPJOVZDIZOGZ-QFIPXVFZSA-N 2 1 422.577 1.600 50 0 HDAAMP CC[N@H+]1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(C)ccc1C ZINC000045974500 521633284 /nfs/dbraw/zinc/63/32/84/521633284.db2.gz DZHSXBUURHGDIE-LJQANCHMSA-N 2 1 422.595 1.210 50 0 HDAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cn1ccc(C)n1 ZINC000011843718 558288543 /nfs/dbraw/zinc/28/85/43/558288543.db2.gz CMXLTXROVAQZLY-OAQYLSRUSA-N 2 1 405.587 1.863 50 0 HDAAMP COc1ccc(C[N@@H+](C)CCN2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000020916247 558422621 /nfs/dbraw/zinc/42/26/21/558422621.db2.gz CARHYAINAUSIRO-NRFANRHFSA-N 2 1 421.582 1.685 50 0 HDAAMP Cc1cccc(C[N@@H+]2CCc3c(cc(C(=O)NCCN4CC[NH+](C)CC4)n3C)C2)c1 ZINC000065210893 558655416 /nfs/dbraw/zinc/65/54/16/558655416.db2.gz NUIFZWFSWOBMPV-UHFFFAOYSA-N 2 1 409.578 1.869 50 0 HDAAMP Cc1cccc(C[N@H+]2CCc3c(cc(C(=O)NCCN4CC[NH+](C)CC4)n3C)C2)c1 ZINC000065210893 558655418 /nfs/dbraw/zinc/65/54/18/558655418.db2.gz NUIFZWFSWOBMPV-UHFFFAOYSA-N 2 1 409.578 1.869 50 0 HDAAMP COc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](O)C2)ccc1OC1CC[NH+](C)CC1 ZINC000014968213 558686563 /nfs/dbraw/zinc/68/65/63/558686563.db2.gz QUWDGQCQKOHJHK-GOSISDBHSA-N 2 1 405.539 1.745 50 0 HDAAMP CN(CCC(N)=O)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091713996 559073424 /nfs/dbraw/zinc/07/34/24/559073424.db2.gz PZTBPAKTZKPNKB-HXUWFJFHSA-N 2 1 412.578 1.664 50 0 HDAAMP O=C(NCCC[NH+]1CCOCC1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255748 569207934 /nfs/dbraw/zinc/20/79/34/569207934.db2.gz MVGBPJQXGPCGES-NRFANRHFSA-N 2 1 409.534 1.685 50 0 HDAAMP O=C(NCCC[NH+]1CCOCC1)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000065255749 569207945 /nfs/dbraw/zinc/20/79/45/569207945.db2.gz MVGBPJQXGPCGES-OAQYLSRUSA-N 2 1 409.534 1.685 50 0 HDAAMP