smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCC[NH2+]3)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164388700 718803339 /nfs/dbraw/zinc/80/33/39/718803339.db2.gz ZWPPZCFHKVDQFD-LJQANCHMSA-N 2 1 443.636 2.993 20 0 IFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@H]5[NH2+]CCO[C@H]5C3)n2)CCC4)CC1 ZINC001164390445 718824454 /nfs/dbraw/zinc/82/44/54/718824454.db2.gz OQGHPSUJIROQPO-MSOLQXFVSA-N 2 1 427.618 2.979 20 0 IFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@H]5[NH2+]CCO[C@@H]5C3)n2)CCC4)CC1 ZINC001164390447 718824599 /nfs/dbraw/zinc/82/45/99/718824599.db2.gz OQGHPSUJIROQPO-QZTJIDSGSA-N 2 1 427.618 2.979 20 0 IFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@@H]5[NH2+]CCO[C@@H]5C3)n2)CCC4)CC1 ZINC001164390450 718824654 /nfs/dbraw/zinc/82/46/54/718824654.db2.gz OQGHPSUJIROQPO-ZWKOTPCHSA-N 2 1 427.618 2.979 20 0 IFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@H]5C[NH2+]C[C@]5(CO)C4)c32)C1 ZINC001164410282 718853331 /nfs/dbraw/zinc/85/33/31/718853331.db2.gz ZVKYRWZBVATIGU-HOZJOUCCSA-N 2 1 441.645 2.820 20 0 IFADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCCC23CC[NH2+]CC3)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164420015 718911388 /nfs/dbraw/zinc/91/13/88/718911388.db2.gz FUWOBGRNWZHHGN-IBGZPJMESA-N 2 1 443.636 2.993 20 0 IFADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCCC23CC[NH2+]CC3)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164420015 718911395 /nfs/dbraw/zinc/91/13/95/718911395.db2.gz FUWOBGRNWZHHGN-IBGZPJMESA-N 2 1 443.636 2.993 20 0 IFADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c2c1C ZINC001164423457 718916233 /nfs/dbraw/zinc/91/62/33/718916233.db2.gz GVEYOFYEPTXLDW-QHCPKHFHSA-N 2 1 445.633 2.879 20 0 IFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCO[C@]3(C[NH2+]CCOC3)C2)n1 ZINC001164423843 718916596 /nfs/dbraw/zinc/91/65/96/718916596.db2.gz KCIYHCRSGQTJCO-JOCHJYFZSA-N 2 1 433.622 2.735 20 0 IFADMP CC(C)C[NH+]1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)CC1 ZINC001164657593 719335438 /nfs/dbraw/zinc/33/54/38/719335438.db2.gz TWFRMDCAWGPYPU-IBGZPJMESA-N 2 1 431.625 2.658 20 0 IFADMP CC(C)C[NH+]1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)CC1 ZINC001164657593 719335442 /nfs/dbraw/zinc/33/54/42/719335442.db2.gz TWFRMDCAWGPYPU-IBGZPJMESA-N 2 1 431.625 2.658 20 0 IFADMP COC(=O)c1cc(Cl)ncc1C(F)(F)n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682566 719616616 /nfs/dbraw/zinc/61/66/16/719616616.db2.gz DVLVYMPOVYNBSR-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP COC(=O)c1cc(Cl)ncc1C(F)(F)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164682566 719616629 /nfs/dbraw/zinc/61/66/29/719616629.db2.gz DVLVYMPOVYNBSR-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP COC(=O)c1cnc(Cl)c(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164680574 719636227 /nfs/dbraw/zinc/63/62/27/719636227.db2.gz WNMYKGLSNHPHHP-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP COC(=O)c1cnc(Cl)c(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164680574 719636231 /nfs/dbraw/zinc/63/62/31/719636231.db2.gz WNMYKGLSNHPHHP-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP COc1ccc(CN(C)c2ccnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)cc1 ZINC001164679555 719646857 /nfs/dbraw/zinc/64/68/57/719646857.db2.gz GJFQDVYPUGYDKN-UHFFFAOYSA-N 2 1 435.576 2.793 20 0 IFADMP COc1ccc(CN(C)c2ccnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)cc1 ZINC001164679555 719646865 /nfs/dbraw/zinc/64/68/65/719646865.db2.gz GJFQDVYPUGYDKN-UHFFFAOYSA-N 2 1 435.576 2.793 20 0 IFADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164687488 719722264 /nfs/dbraw/zinc/72/22/64/719722264.db2.gz YFYGDZOXVHRFSE-UHFFFAOYSA-N 2 1 436.535 2.800 20 0 IFADMP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)CC2 ZINC001164687488 719722280 /nfs/dbraw/zinc/72/22/80/719722280.db2.gz YFYGDZOXVHRFSE-UHFFFAOYSA-N 2 1 436.535 2.800 20 0 IFADMP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC[C@H]2C1 ZINC001164859508 720859868 /nfs/dbraw/zinc/85/98/68/720859868.db2.gz UDSHZKNEKKTECN-SIKLNZKXSA-N 2 1 439.535 2.792 20 0 IFADMP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC[C@H]2C1 ZINC001164859508 720859873 /nfs/dbraw/zinc/85/98/73/720859873.db2.gz UDSHZKNEKKTECN-SIKLNZKXSA-N 2 1 439.535 2.792 20 0 IFADMP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001164854851 720860568 /nfs/dbraw/zinc/86/05/68/720860568.db2.gz LEXCDOYMDFIQQQ-KNQAVFIVSA-N 2 1 439.535 2.792 20 0 IFADMP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001164854851 720860569 /nfs/dbraw/zinc/86/05/69/720860569.db2.gz LEXCDOYMDFIQQQ-KNQAVFIVSA-N 2 1 439.535 2.792 20 0 IFADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc4c(n2)CC[NH2+]C4)C3)c1 ZINC001164748560 720875792 /nfs/dbraw/zinc/87/57/92/720875792.db2.gz FXBJDUWFHCCLTH-BVAGGSTKSA-N 2 1 433.600 2.877 20 0 IFADMP O=C1COc2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2N1 ZINC001164750726 720891593 /nfs/dbraw/zinc/89/15/93/720891593.db2.gz BRNIXWHLIAJPEX-NLFFAJNJSA-N 2 1 449.555 2.563 20 0 IFADMP O=C1COc2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2N1 ZINC001164750726 720891595 /nfs/dbraw/zinc/89/15/95/720891595.db2.gz BRNIXWHLIAJPEX-NLFFAJNJSA-N 2 1 449.555 2.563 20 0 IFADMP Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C1C[NH2+]C1 ZINC001164751395 720940413 /nfs/dbraw/zinc/94/04/13/720940413.db2.gz LXIYCGVMUDZFKY-OZXSUGGESA-N 2 1 448.615 2.622 20 0 IFADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164771363 721115499 /nfs/dbraw/zinc/11/54/99/721115499.db2.gz SHGPYVQSXCPNOF-GOTSBHOMSA-N 2 1 443.599 2.727 20 0 IFADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164771363 721115508 /nfs/dbraw/zinc/11/55/08/721115508.db2.gz SHGPYVQSXCPNOF-GOTSBHOMSA-N 2 1 443.599 2.727 20 0 IFADMP Cn1cc(C[NH+]2CC[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164771363 721115516 /nfs/dbraw/zinc/11/55/16/721115516.db2.gz SHGPYVQSXCPNOF-GOTSBHOMSA-N 2 1 443.599 2.727 20 0 IFADMP Cn1cc(C[NH+]2CC[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164771363 721115526 /nfs/dbraw/zinc/11/55/26/721115526.db2.gz SHGPYVQSXCPNOF-GOTSBHOMSA-N 2 1 443.599 2.727 20 0 IFADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)[nH+]cc21 ZINC001164891593 721430979 /nfs/dbraw/zinc/43/09/79/721430979.db2.gz HETZHXNQPSAMKZ-MHECFPHRSA-N 2 1 441.576 2.505 20 0 IFADMP CCN(C)c1cc(C)[nH+]c(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164788683 721447868 /nfs/dbraw/zinc/44/78/68/721447868.db2.gz SNMMMUVGRGHYGB-NRFANRHFSA-N 2 1 431.625 2.975 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164802958 721571476 /nfs/dbraw/zinc/57/14/76/721571476.db2.gz IXIGVJGLSQQYRP-SGIRGMQISA-N 2 1 437.588 2.819 20 0 IFADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)CC1 ZINC001164975488 722152821 /nfs/dbraw/zinc/15/28/21/722152821.db2.gz TXMBPPPAKSXDKO-XUZZJYLKSA-N 3 1 437.588 2.677 20 0 IFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)CC1 ZINC001164975488 722152823 /nfs/dbraw/zinc/15/28/23/722152823.db2.gz TXMBPPPAKSXDKO-XUZZJYLKSA-N 2 1 437.588 2.677 20 0 IFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)CC1 ZINC001164975488 722152824 /nfs/dbraw/zinc/15/28/24/722152824.db2.gz TXMBPPPAKSXDKO-XUZZJYLKSA-N 2 1 437.588 2.677 20 0 IFADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164614266 719011403 /nfs/dbraw/zinc/01/14/03/719011403.db2.gz DTSMSYKWMWBISM-OFVILXPXSA-N 2 1 442.604 2.704 20 0 IFADMP COC(=O)c1ccc(NC(=O)C(C)(C)C)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164681139 719631734 /nfs/dbraw/zinc/63/17/34/719631734.db2.gz BNODQOIRVVKGLM-UHFFFAOYSA-N 2 1 442.564 2.524 20 0 IFADMP COC(=O)c1ccc(NC(=O)C(C)(C)C)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164681139 719631743 /nfs/dbraw/zinc/63/17/43/719631743.db2.gz BNODQOIRVVKGLM-UHFFFAOYSA-N 2 1 442.564 2.524 20 0 IFADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164719427 720260719 /nfs/dbraw/zinc/26/07/19/720260719.db2.gz NGQQLFWOJMQBQV-SANMLTNESA-N 2 1 447.583 2.749 20 0 IFADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164719427 720260724 /nfs/dbraw/zinc/26/07/24/720260724.db2.gz NGQQLFWOJMQBQV-SANMLTNESA-N 2 1 447.583 2.749 20 0 IFADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164857121 720846847 /nfs/dbraw/zinc/84/68/47/720846847.db2.gz XQLDTOBAJQCSNE-ILBGXUMGSA-N 2 1 436.600 2.813 20 0 IFADMP COCC[NH+]1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164857121 720846849 /nfs/dbraw/zinc/84/68/49/720846849.db2.gz XQLDTOBAJQCSNE-ILBGXUMGSA-N 2 1 436.600 2.813 20 0 IFADMP COCC[NH+]1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164857121 720846850 /nfs/dbraw/zinc/84/68/50/720846850.db2.gz XQLDTOBAJQCSNE-ILBGXUMGSA-N 2 1 436.600 2.813 20 0 IFADMP COCC[N@H+]1CCO[C@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164857127 720847097 /nfs/dbraw/zinc/84/70/97/720847097.db2.gz XQLDTOBAJQCSNE-ZCYQVOJMSA-N 2 1 436.600 2.813 20 0 IFADMP COCC[NH+]1CCO[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164857127 720847099 /nfs/dbraw/zinc/84/70/99/720847099.db2.gz XQLDTOBAJQCSNE-ZCYQVOJMSA-N 2 1 436.600 2.813 20 0 IFADMP COCC[NH+]1CCO[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164857127 720847100 /nfs/dbraw/zinc/84/71/00/720847100.db2.gz XQLDTOBAJQCSNE-ZCYQVOJMSA-N 2 1 436.600 2.813 20 0 IFADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(N4CCOCC4)[nH+]3)C2)C1 ZINC001164780317 721360633 /nfs/dbraw/zinc/36/06/33/721360633.db2.gz GBAYHXCDZXTMIU-DEOSSOPVSA-N 2 1 441.576 2.642 20 0 IFADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)[nH+]cc21 ZINC001164891592 721430734 /nfs/dbraw/zinc/43/07/34/721430734.db2.gz HETZHXNQPSAMKZ-KOSHJBKYSA-N 2 1 441.576 2.505 20 0 IFADMP C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164907347 721714103 /nfs/dbraw/zinc/71/41/03/721714103.db2.gz RAJALEUGRAUAOB-QHCPKHFHSA-N 2 1 442.558 2.966 20 0 IFADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164982277 722134916 /nfs/dbraw/zinc/13/49/16/722134916.db2.gz RMJTUAAUZAQDET-GOTSBHOMSA-N 2 1 437.588 2.679 20 0 IFADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2)CC1 ZINC001164975487 722152604 /nfs/dbraw/zinc/15/26/04/722152604.db2.gz TXMBPPPAKSXDKO-URXFXBBRSA-N 3 1 437.588 2.677 20 0 IFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)CC1 ZINC001164975487 722152607 /nfs/dbraw/zinc/15/26/07/722152607.db2.gz TXMBPPPAKSXDKO-URXFXBBRSA-N 2 1 437.588 2.677 20 0 IFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2)CC1 ZINC001164975487 722152611 /nfs/dbraw/zinc/15/26/11/722152611.db2.gz TXMBPPPAKSXDKO-URXFXBBRSA-N 2 1 437.588 2.677 20 0 IFADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCC[NH2+]3)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164388698 718803454 /nfs/dbraw/zinc/80/34/54/718803454.db2.gz ZWPPZCFHKVDQFD-IBGZPJMESA-N 2 1 443.636 2.993 20 0 IFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC[C@@H]5[NH2+]CCO[C@H]5C3)n2)CCC4)CC1 ZINC001164390448 718824529 /nfs/dbraw/zinc/82/45/29/718824529.db2.gz OQGHPSUJIROQPO-ROUUACIJSA-N 2 1 427.618 2.979 20 0 IFADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCN5CC[NH2+]C[C@H]5C4)c23)C1 ZINC001164402710 718839894 /nfs/dbraw/zinc/83/98/94/718839894.db2.gz GJDYGDWRSFPMTA-ROUUACIJSA-N 2 1 440.661 2.896 20 0 IFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCN5CC[NH2+]C[C@H]5C3)n2)CCC4)CC1 ZINC001164401749 718839955 /nfs/dbraw/zinc/83/99/55/718839955.db2.gz AFDXXOGGGLJTFD-KRWDZBQOSA-N 2 1 426.634 2.506 20 0 IFADMP OC[C@@]12C[NH2+]C[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164402481 718853016 /nfs/dbraw/zinc/85/30/16/718853016.db2.gz FOKYQDOADKMHJU-HJPURHCSSA-N 2 1 427.618 2.574 20 0 IFADMP C(c1nc2sc3c(c2c(N2CCO[C@@H]4C[NH2+]CC[C@@H]4C2)n1)CCC3)[NH+]1CCCCC1 ZINC001164409859 718863954 /nfs/dbraw/zinc/86/39/54/718863954.db2.gz VBXCNVRNPWYKEF-SJLPKXTDSA-N 2 1 427.618 2.981 20 0 IFADMP C(c1nc2sc3c(c2c(N2CCO[C@@H]4C[NH2+]CC[C@@H]4C2)n1)CCCC3)[NH+]1CCCC1 ZINC001164409508 718864209 /nfs/dbraw/zinc/86/42/09/718864209.db2.gz QVPBHSDPEWNKJL-SJLPKXTDSA-N 2 1 427.618 2.981 20 0 IFADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCCC23CC[NH2+]CC3)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164420017 718910805 /nfs/dbraw/zinc/91/08/05/718910805.db2.gz FUWOBGRNWZHHGN-LJQANCHMSA-N 2 1 443.636 2.993 20 0 IFADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCCC23CC[NH2+]CC3)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164420017 718910808 /nfs/dbraw/zinc/91/08/08/718910808.db2.gz FUWOBGRNWZHHGN-LJQANCHMSA-N 2 1 443.636 2.993 20 0 IFADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001164616087 719017332 /nfs/dbraw/zinc/01/73/32/719017332.db2.gz KJTCNWNGWNWZJJ-IXDOHACOSA-N 2 1 429.590 2.634 20 0 IFADMP CCOC(=O)C1CC[NH+](C2CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)CC1 ZINC001164618066 719034408 /nfs/dbraw/zinc/03/44/08/719034408.db2.gz RRNVTULFXKKGPF-UHFFFAOYSA-N 3 1 430.593 2.799 20 0 IFADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)nc1 ZINC001164656332 719326991 /nfs/dbraw/zinc/32/69/91/719326991.db2.gz XAVRVFHVBOKFDC-LJQANCHMSA-N 2 1 433.578 2.619 20 0 IFADMP CNC(=O)C[N@H+]1CCCC12CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164686281 719711613 /nfs/dbraw/zinc/71/16/13/719711613.db2.gz YTIIJNDAZHYAHD-UHFFFAOYSA-N 2 1 433.600 2.821 20 0 IFADMP CNC(=O)C[NH+]1CCCC12CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164686281 719711617 /nfs/dbraw/zinc/71/16/17/719711617.db2.gz YTIIJNDAZHYAHD-UHFFFAOYSA-N 2 1 433.600 2.821 20 0 IFADMP CNC(=O)C[NH+]1CCCC12CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164686281 719711642 /nfs/dbraw/zinc/71/16/42/719711642.db2.gz YTIIJNDAZHYAHD-UHFFFAOYSA-N 2 1 433.600 2.821 20 0 IFADMP Cc1nc(C[N@H+]2CCCC23CCN(c2nccc(N4CCC([NH3+])CC4)n2)CC3)cs1 ZINC001164691229 719811269 /nfs/dbraw/zinc/81/12/69/719811269.db2.gz BFLYIHGWSZYTLM-UHFFFAOYSA-N 2 1 427.622 2.804 20 0 IFADMP c1ccc(C[N@H+]2CCc3nc(N4CC[NH+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164736724 720665143 /nfs/dbraw/zinc/66/51/43/720665143.db2.gz AUGTZTLOVPLYCV-DHIUTWEWSA-N 2 1 442.567 2.772 20 0 IFADMP c1ccc(C[NH+]2CCc3nc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164736724 720665151 /nfs/dbraw/zinc/66/51/51/720665151.db2.gz AUGTZTLOVPLYCV-DHIUTWEWSA-N 2 1 442.567 2.772 20 0 IFADMP c1ccc(C[NH+]2CCc3nc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164736724 720665161 /nfs/dbraw/zinc/66/51/61/720665161.db2.gz AUGTZTLOVPLYCV-DHIUTWEWSA-N 2 1 442.567 2.772 20 0 IFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C3CC[NH2+]CC3)n1)CC2 ZINC001164784511 721463580 /nfs/dbraw/zinc/46/35/80/721463580.db2.gz IOOSVFOWYSDYGF-JOCHJYFZSA-N 2 1 443.636 2.678 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164802956 721571864 /nfs/dbraw/zinc/57/18/64/721571864.db2.gz IXIGVJGLSQQYRP-FBLLAGFSSA-N 2 1 437.588 2.819 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H]2CCCO[C@@H]21 ZINC001164807688 721588378 /nfs/dbraw/zinc/58/83/78/721588378.db2.gz PMKLVOSRWCSOTQ-CUYJMHBOSA-N 2 1 437.588 2.818 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164807692 721588474 /nfs/dbraw/zinc/58/84/74/721588474.db2.gz PMKLVOSRWCSOTQ-SONWIMMPSA-N 2 1 437.588 2.818 20 0 IFADMP [NH3+]C1CCN(c2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164907808 721715823 /nfs/dbraw/zinc/71/58/23/721715823.db2.gz UHXJVMQRDQSKPI-QFIPXVFZSA-N 2 1 443.546 2.537 20 0 IFADMP FC1(F)CCN(c2ccc(OC3CC[NH2+]CC3)nn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911754 721725594 /nfs/dbraw/zinc/72/55/94/721725594.db2.gz KEZGFZOMAJIALU-JOCHJYFZSA-N 2 1 444.530 2.740 20 0 IFADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c4C[NH2+]CC5)CC3)C2)cc1 ZINC001164939245 721920604 /nfs/dbraw/zinc/92/06/04/721920604.db2.gz SYPUUEYIMNIQDM-UHFFFAOYSA-N 2 1 427.980 2.956 20 0 IFADMP [NH3+]C1CCN(c2cccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)[nH+]2)CC1 ZINC001164960043 722058676 /nfs/dbraw/zinc/05/86/76/722058676.db2.gz FNBLOKIRIDSKKS-UHFFFAOYSA-N 3 1 436.604 2.523 20 0 IFADMP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC001165001549 722239465 /nfs/dbraw/zinc/23/94/65/722239465.db2.gz IRSSDBIDKHPSBD-QHCPKHFHSA-N 2 1 435.620 2.776 20 0 IFADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC001165001549 722239468 /nfs/dbraw/zinc/23/94/68/722239468.db2.gz IRSSDBIDKHPSBD-QHCPKHFHSA-N 2 1 435.620 2.776 20 0 IFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@@H]5[NH2+]CCO[C@H]5C4)c23)C1 ZINC001164389715 718824404 /nfs/dbraw/zinc/82/44/04/718824404.db2.gz JKNBRPBAASLVDY-NJAFHUGGSA-N 2 1 427.618 2.979 20 0 IFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCN5CC[NH2+]C[C@H]5C4)c23)C1 ZINC001164402704 718839932 /nfs/dbraw/zinc/83/99/32/718839932.db2.gz GJDYGDWRSFPMTA-MSOLQXFVSA-N 2 1 440.661 2.896 20 0 IFADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCN5CC[NH2+]C[C@@H]5C4)c23)C1 ZINC001164402711 718840010 /nfs/dbraw/zinc/84/00/10/718840010.db2.gz GJDYGDWRSFPMTA-ZWKOTPCHSA-N 2 1 440.661 2.896 20 0 IFADMP CC(C)C[NH+]1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC001164657594 719335533 /nfs/dbraw/zinc/33/55/33/719335533.db2.gz TWFRMDCAWGPYPU-LJQANCHMSA-N 2 1 431.625 2.658 20 0 IFADMP CC(C)C[NH+]1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC001164657594 719335537 /nfs/dbraw/zinc/33/55/37/719335537.db2.gz TWFRMDCAWGPYPU-LJQANCHMSA-N 2 1 431.625 2.658 20 0 IFADMP CCOC(=O)c1c2ccccn2c2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c21 ZINC001164686311 719604130 /nfs/dbraw/zinc/60/41/30/719604130.db2.gz ZYMYOOYIFIJEQZ-UHFFFAOYSA-N 2 1 447.543 2.731 20 0 IFADMP CCOC(=O)c1c2ccccn2c2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c21 ZINC001164686311 719604133 /nfs/dbraw/zinc/60/41/33/719604133.db2.gz ZYMYOOYIFIJEQZ-UHFFFAOYSA-N 2 1 447.543 2.731 20 0 IFADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3c2ccn3COC(=O)C(C)(C)C)c2c1CC[NH2+]C2 ZINC001164681203 719623620 /nfs/dbraw/zinc/62/36/20/719623620.db2.gz CYAWXMXZBIPINR-UHFFFAOYSA-N 2 1 439.564 2.650 20 0 IFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c2ccn3COC(=O)C(C)(C)C)c2c1CC[NH2+]C2 ZINC001164681203 719623625 /nfs/dbraw/zinc/62/36/25/719623625.db2.gz CYAWXMXZBIPINR-UHFFFAOYSA-N 2 1 439.564 2.650 20 0 IFADMP COC(=O)c1cnc(Cl)cc1C(F)(F)n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679541 719638469 /nfs/dbraw/zinc/63/84/69/719638469.db2.gz FZKPYRLVSVCBPA-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP COC(=O)c1cnc(Cl)cc1C(F)(F)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679541 719638473 /nfs/dbraw/zinc/63/84/73/719638473.db2.gz FZKPYRLVSVCBPA-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP COc1ccc2c(C)cc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)[nH+]c2c1 ZINC001164718350 720187914 /nfs/dbraw/zinc/18/79/14/720187914.db2.gz OXRBZWFCOURAAY-JOCHJYFZSA-N 2 1 436.560 2.897 20 0 IFADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164722366 720304927 /nfs/dbraw/zinc/30/49/27/720304927.db2.gz KREHRPBJJIDFKB-RCZVLFRGSA-N 2 1 443.636 2.683 20 0 IFADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164722366 720304933 /nfs/dbraw/zinc/30/49/33/720304933.db2.gz KREHRPBJJIDFKB-RCZVLFRGSA-N 2 1 443.636 2.683 20 0 IFADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1 ZINC001164722366 720304936 /nfs/dbraw/zinc/30/49/36/720304936.db2.gz KREHRPBJJIDFKB-RCZVLFRGSA-N 2 1 443.636 2.683 20 0 IFADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1 ZINC001164722366 720304943 /nfs/dbraw/zinc/30/49/43/720304943.db2.gz KREHRPBJJIDFKB-RCZVLFRGSA-N 2 1 443.636 2.683 20 0 IFADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839107 720521435 /nfs/dbraw/zinc/52/14/35/720521435.db2.gz SVRSINCYMGJJDJ-ZIFCJYIRSA-N 2 1 437.548 2.709 20 0 IFADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839107 720521437 /nfs/dbraw/zinc/52/14/37/720521437.db2.gz SVRSINCYMGJJDJ-ZIFCJYIRSA-N 2 1 437.548 2.709 20 0 IFADMP c1ccc(C[N@H+]2CCc3nc(N4CC[NH+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164736729 720665545 /nfs/dbraw/zinc/66/55/45/720665545.db2.gz AUGTZTLOVPLYCV-PKTZIBPZSA-N 2 1 442.567 2.772 20 0 IFADMP c1ccc(C[NH+]2CCc3nc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164736729 720665555 /nfs/dbraw/zinc/66/55/55/720665555.db2.gz AUGTZTLOVPLYCV-PKTZIBPZSA-N 2 1 442.567 2.772 20 0 IFADMP c1ccc(C[NH+]2CCc3nc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164736729 720665565 /nfs/dbraw/zinc/66/55/65/720665565.db2.gz AUGTZTLOVPLYCV-PKTZIBPZSA-N 2 1 442.567 2.772 20 0 IFADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164839341 720714128 /nfs/dbraw/zinc/71/41/28/720714128.db2.gz LEQOWXKTORONQW-NRFANRHFSA-N 2 1 437.588 2.867 20 0 IFADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]cc21 ZINC001164745783 720844292 /nfs/dbraw/zinc/84/42/92/720844292.db2.gz NKEXCFJMQRPXRG-KGVIQGDOSA-N 2 1 449.559 2.711 20 0 IFADMP Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C1C[NH2+]C1 ZINC001164751397 720939876 /nfs/dbraw/zinc/93/98/76/720939876.db2.gz LXIYCGVMUDZFKY-ZEQKJWHPSA-N 2 1 448.615 2.622 20 0 IFADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1 ZINC001164754836 720968630 /nfs/dbraw/zinc/96/86/30/720968630.db2.gz YHAQQSHDRRGCHT-FQEVSTJZSA-N 2 1 440.592 2.861 20 0 IFADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164771362 721116337 /nfs/dbraw/zinc/11/63/37/721116337.db2.gz SHGPYVQSXCPNOF-DHIUTWEWSA-N 2 1 443.599 2.727 20 0 IFADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164771362 721116352 /nfs/dbraw/zinc/11/63/52/721116352.db2.gz SHGPYVQSXCPNOF-DHIUTWEWSA-N 2 1 443.599 2.727 20 0 IFADMP Cn1cc(C[NH+]2CC[C@@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164771362 721116363 /nfs/dbraw/zinc/11/63/63/721116363.db2.gz SHGPYVQSXCPNOF-DHIUTWEWSA-N 2 1 443.599 2.727 20 0 IFADMP Cn1cc(C[NH+]2CC[C@@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164771362 721116375 /nfs/dbraw/zinc/11/63/75/721116375.db2.gz SHGPYVQSXCPNOF-DHIUTWEWSA-N 2 1 443.599 2.727 20 0 IFADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(C4CC[NH2+]CC4)n3)C2)C1 ZINC001164779955 721360016 /nfs/dbraw/zinc/36/00/16/721360016.db2.gz BHTAPXKQUZSWPL-XMMPIXPASA-N 2 1 440.592 2.667 20 0 IFADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nccc(C4CC[NH2+]CC4)n3)C2)C1 ZINC001164779955 721360023 /nfs/dbraw/zinc/36/00/23/721360023.db2.gz BHTAPXKQUZSWPL-XMMPIXPASA-N 2 1 440.592 2.667 20 0 IFADMP C[NH+](C)CC1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC001165045590 721947647 /nfs/dbraw/zinc/94/76/47/721947647.db2.gz SFAXORBXSNMZOH-LJQANCHMSA-N 2 1 431.625 2.658 20 0 IFADMP C(c1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@H]4C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164403430 718839422 /nfs/dbraw/zinc/83/94/22/718839422.db2.gz ITKTWGLQUMPVIN-KRWDZBQOSA-N 2 1 426.634 2.650 20 0 IFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCN5CC[NH2+]C[C@@H]5C4)c23)C1 ZINC001164408039 718840000 /nfs/dbraw/zinc/84/00/00/718840000.db2.gz XULXUAPRSDGFKA-IAGOWNOFSA-N 2 1 426.634 2.506 20 0 IFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCOCC45C[NH2+]C5)c23)C1 ZINC001164401446 718860752 /nfs/dbraw/zinc/86/07/52/718860752.db2.gz DTBCEAHVRQOZRL-MRXNPFEDSA-N 2 1 427.618 2.981 20 0 IFADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164435012 718969597 /nfs/dbraw/zinc/96/95/97/718969597.db2.gz XKYWLKAZYOGHFX-RBUKOAKNSA-N 2 1 446.901 2.852 20 0 IFADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164614269 719011112 /nfs/dbraw/zinc/01/11/12/719011112.db2.gz DTSMSYKWMWBISM-PXDATVDWSA-N 2 1 442.604 2.704 20 0 IFADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164614273 719011206 /nfs/dbraw/zinc/01/12/06/719011206.db2.gz DTSMSYKWMWBISM-SQJMNOBHSA-N 2 1 442.604 2.704 20 0 IFADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+](CC)CC)nc2sc(C)c(C)c21 ZINC001164619350 719017516 /nfs/dbraw/zinc/01/75/16/719017516.db2.gz VVUXUGORJYHBBC-IXDOHACOSA-N 2 1 431.606 2.880 20 0 IFADMP COCCN1CC[N@H+](C)C2(CCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)CC2)C1=O ZINC001164642187 719276368 /nfs/dbraw/zinc/27/63/68/719276368.db2.gz YGGSLEIGABUXEO-UHFFFAOYSA-N 2 1 447.583 2.844 20 0 IFADMP COCCN1CC[N@@H+](C)C2(CCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)CC2)C1=O ZINC001164642187 719276369 /nfs/dbraw/zinc/27/63/69/719276369.db2.gz YGGSLEIGABUXEO-UHFFFAOYSA-N 2 1 447.583 2.844 20 0 IFADMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2C(=O)N2CCc3ccccc32)c2c1CC[NH2+]C2 ZINC001164680558 719639285 /nfs/dbraw/zinc/63/92/85/719639285.db2.gz WBDFHLBRZLEICY-UHFFFAOYSA-N 2 1 430.556 2.956 20 0 IFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2C(=O)N2CCc3ccccc32)c2c1CC[NH2+]C2 ZINC001164680558 719639297 /nfs/dbraw/zinc/63/92/97/719639297.db2.gz WBDFHLBRZLEICY-UHFFFAOYSA-N 2 1 430.556 2.956 20 0 IFADMP CC(C)[N@H+](C)Cc1nn([C@](F)(COc2cncc(Cl)n2)C(F)F)c2c1CC[NH2+]C2 ZINC001164680560 719642636 /nfs/dbraw/zinc/64/26/36/719642636.db2.gz WBPLONQJXWXOFW-GOSISDBHSA-N 2 1 432.878 2.779 20 0 IFADMP CC(C)[N@@H+](C)Cc1nn([C@](F)(COc2cncc(Cl)n2)C(F)F)c2c1CC[NH2+]C2 ZINC001164680560 719642639 /nfs/dbraw/zinc/64/26/39/719642639.db2.gz WBPLONQJXWXOFW-GOSISDBHSA-N 2 1 432.878 2.779 20 0 IFADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164719426 720259964 /nfs/dbraw/zinc/25/99/64/720259964.db2.gz NGQQLFWOJMQBQV-AREMUKBSSA-N 2 1 447.583 2.749 20 0 IFADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4c3ccn4Cc3ccccc3)C2)C1 ZINC001164719426 720259967 /nfs/dbraw/zinc/25/99/67/720259967.db2.gz NGQQLFWOJMQBQV-AREMUKBSSA-N 2 1 447.583 2.749 20 0 IFADMP COCC[N@H+]1CCO[C@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164857124 720847269 /nfs/dbraw/zinc/84/72/69/720847269.db2.gz XQLDTOBAJQCSNE-NOZRDPDXSA-N 2 1 436.600 2.813 20 0 IFADMP COCC[NH+]1CCO[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164857124 720847271 /nfs/dbraw/zinc/84/72/71/720847271.db2.gz XQLDTOBAJQCSNE-NOZRDPDXSA-N 2 1 436.600 2.813 20 0 IFADMP COCC[NH+]1CCO[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@@H]2C1 ZINC001164857124 720847272 /nfs/dbraw/zinc/84/72/72/720847272.db2.gz XQLDTOBAJQCSNE-NOZRDPDXSA-N 2 1 436.600 2.813 20 0 IFADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[NH+](CC(=O)N(C)C)C3)nc1 ZINC001164875746 721291258 /nfs/dbraw/zinc/29/12/58/721291258.db2.gz GIFOILUHTVBNKH-QFIPXVFZSA-N 2 1 443.636 2.636 20 0 IFADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1 ZINC001164875746 721291262 /nfs/dbraw/zinc/29/12/62/721291262.db2.gz GIFOILUHTVBNKH-QFIPXVFZSA-N 2 1 443.636 2.636 20 0 IFADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1 ZINC001164875746 721291266 /nfs/dbraw/zinc/29/12/66/721291266.db2.gz GIFOILUHTVBNKH-QFIPXVFZSA-N 2 1 443.636 2.636 20 0 IFADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)[nH+]cc21 ZINC001164891591 721430835 /nfs/dbraw/zinc/43/08/35/721430835.db2.gz HETZHXNQPSAMKZ-HOYKHHGWSA-N 2 1 441.576 2.505 20 0 IFADMP CCN(C)c1cc(C)[nH+]c(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)n1 ZINC001164788687 721448022 /nfs/dbraw/zinc/44/80/22/721448022.db2.gz SNMMMUVGRGHYGB-OAQYLSRUSA-N 2 1 431.625 2.975 20 0 IFADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164906417 721565952 /nfs/dbraw/zinc/56/59/52/721565952.db2.gz IVIKPPAEVSIBNP-REWPJTCUSA-N 2 1 426.536 2.941 20 0 IFADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164906416 721566403 /nfs/dbraw/zinc/56/64/03/721566403.db2.gz IVIKPPAEVSIBNP-OFNKIYASSA-N 2 1 426.536 2.941 20 0 IFADMP FC1(F)CCN(c2ccc(N3CC[NH2+]CC3)cn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905532 721717779 /nfs/dbraw/zinc/71/77/79/721717779.db2.gz HDNVVBGTYYNOIK-QFIPXVFZSA-N 2 1 428.531 2.624 20 0 IFADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)CC3)C2)cc1 ZINC001164939597 721930948 /nfs/dbraw/zinc/93/09/48/721930948.db2.gz MWEWBZHDEPQTID-UHFFFAOYSA-N 2 1 437.588 2.787 20 0 IFADMP Clc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c2c(n1)C[NH2+]CC2 ZINC001164960046 722059015 /nfs/dbraw/zinc/05/90/15/722059015.db2.gz FSHDITAXORVOAW-UHFFFAOYSA-N 2 1 427.980 2.895 20 0 IFADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC001165001546 722239856 /nfs/dbraw/zinc/23/98/56/722239856.db2.gz IRSSDBIDKHPSBD-HSZRJFAPSA-N 2 1 435.620 2.776 20 0 IFADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC001165001546 722239859 /nfs/dbraw/zinc/23/98/59/722239859.db2.gz IRSSDBIDKHPSBD-HSZRJFAPSA-N 2 1 435.620 2.776 20 0 IFADMP COc1cc2c[nH+]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)cc2cc1OC ZINC001165004018 722256667 /nfs/dbraw/zinc/25/66/67/722256667.db2.gz LMSQBXFYAWTVNC-UHFFFAOYSA-N 2 1 425.533 2.937 20 0 IFADMP OC[C@]12C[NH2+]C[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164402489 718853278 /nfs/dbraw/zinc/85/32/78/718853278.db2.gz FOKYQDOADKMHJU-WAIKUNEKSA-N 2 1 427.618 2.574 20 0 IFADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c2c1CC[NH2+]C2 ZINC001164679765 719642666 /nfs/dbraw/zinc/64/26/66/719642666.db2.gz MMMCHXUODXZZPG-UHFFFAOYSA-N 2 1 434.544 2.977 20 0 IFADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c2c1CC[NH2+]C2 ZINC001164679765 719642671 /nfs/dbraw/zinc/64/26/71/719642671.db2.gz MMMCHXUODXZZPG-UHFFFAOYSA-N 2 1 434.544 2.977 20 0 IFADMP Cc1nc(C[N@H+]2CCCC23CCN(c2ccnc(N4CC[NH+](C)CC4)n2)CC3)cs1 ZINC001164693520 719815124 /nfs/dbraw/zinc/81/51/24/719815124.db2.gz VZEAIDDEUVSMIY-UHFFFAOYSA-N 2 1 427.622 2.628 20 0 IFADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2ccnc(N4CC[NH+](C)CC4)n2)CC3)cs1 ZINC001164693520 719815125 /nfs/dbraw/zinc/81/51/25/719815125.db2.gz VZEAIDDEUVSMIY-UHFFFAOYSA-N 2 1 427.622 2.628 20 0 IFADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839105 720520793 /nfs/dbraw/zinc/52/07/93/720520793.db2.gz SVRSINCYMGJJDJ-YQVWRLOYSA-N 2 1 437.548 2.709 20 0 IFADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839105 720520794 /nfs/dbraw/zinc/52/07/94/720520794.db2.gz SVRSINCYMGJJDJ-YQVWRLOYSA-N 2 1 437.548 2.709 20 0 IFADMP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001164854850 720860368 /nfs/dbraw/zinc/86/03/68/720860368.db2.gz LEXCDOYMDFIQQQ-DENIHFKCSA-N 2 1 439.535 2.792 20 0 IFADMP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC001164854850 720860370 /nfs/dbraw/zinc/86/03/70/720860370.db2.gz LEXCDOYMDFIQQQ-DENIHFKCSA-N 2 1 439.535 2.792 20 0 IFADMP O=C1COc2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2N1 ZINC001164750721 720891733 /nfs/dbraw/zinc/89/17/33/720891733.db2.gz BRNIXWHLIAJPEX-NBGIEHNGSA-N 2 1 449.555 2.563 20 0 IFADMP O=C1COc2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2N1 ZINC001164750721 720891734 /nfs/dbraw/zinc/89/17/34/720891734.db2.gz BRNIXWHLIAJPEX-NBGIEHNGSA-N 2 1 449.555 2.563 20 0 IFADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164771365 721116535 /nfs/dbraw/zinc/11/65/35/721116535.db2.gz SHGPYVQSXCPNOF-XZOQPEGZSA-N 2 1 443.599 2.727 20 0 IFADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164771365 721116538 /nfs/dbraw/zinc/11/65/38/721116538.db2.gz SHGPYVQSXCPNOF-XZOQPEGZSA-N 2 1 443.599 2.727 20 0 IFADMP Cn1cc(C[NH+]2CC[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164771365 721116539 /nfs/dbraw/zinc/11/65/39/721116539.db2.gz SHGPYVQSXCPNOF-XZOQPEGZSA-N 2 1 443.599 2.727 20 0 IFADMP Cn1cc(C[NH+]2CC[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164771365 721116544 /nfs/dbraw/zinc/11/65/44/721116544.db2.gz SHGPYVQSXCPNOF-XZOQPEGZSA-N 2 1 443.599 2.727 20 0 IFADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)[nH+]cc21 ZINC001164891594 721430920 /nfs/dbraw/zinc/43/09/20/721430920.db2.gz HETZHXNQPSAMKZ-UUOWRZLLSA-N 2 1 441.576 2.505 20 0 IFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164783596 721463940 /nfs/dbraw/zinc/46/39/40/721463940.db2.gz DOGXXCGJNJLKCE-QFIPXVFZSA-N 2 1 444.620 2.652 20 0 IFADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1 ZINC001164795655 721521509 /nfs/dbraw/zinc/52/15/09/721521509.db2.gz QGMZZCYIXJBJFI-HSZRJFAPSA-N 2 1 437.636 2.983 20 0 IFADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164809045 721542573 /nfs/dbraw/zinc/54/25/73/721542573.db2.gz UMCWCLYCYVTCIK-KCZVDYSFSA-N 2 1 442.995 2.860 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164809045 721542575 /nfs/dbraw/zinc/54/25/75/721542575.db2.gz UMCWCLYCYVTCIK-KCZVDYSFSA-N 2 1 442.995 2.860 20 0 IFADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164906415 721566558 /nfs/dbraw/zinc/56/65/58/721566558.db2.gz IVIKPPAEVSIBNP-NZQKXSOJSA-N 2 1 426.536 2.941 20 0 IFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)C[C@@H]21 ZINC001165022104 721828801 /nfs/dbraw/zinc/82/88/01/721828801.db2.gz GHOUCFULZLMTPY-AKIFATBCSA-N 2 1 436.604 2.987 20 0 IFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)C[C@H]21 ZINC001165022108 721828926 /nfs/dbraw/zinc/82/89/26/721828926.db2.gz GHOUCFULZLMTPY-YMPZKCBVSA-N 2 1 436.604 2.987 20 0 IFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)C[C@H]21 ZINC001165022106 721828936 /nfs/dbraw/zinc/82/89/36/721828936.db2.gz GHOUCFULZLMTPY-MDNUFGMLSA-N 2 1 436.604 2.987 20 0 IFADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963825 722056732 /nfs/dbraw/zinc/05/67/32/722056732.db2.gz MQTGEFMNWFQKFK-UHFFFAOYSA-N 2 1 436.560 2.592 20 0 IFADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963825 722056735 /nfs/dbraw/zinc/05/67/35/722056735.db2.gz MQTGEFMNWFQKFK-UHFFFAOYSA-N 2 1 436.560 2.592 20 0 IFADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[C@H]3C2)c1 ZINC001164982280 722134945 /nfs/dbraw/zinc/13/49/45/722134945.db2.gz RMJTUAAUZAQDET-XZOQPEGZSA-N 2 1 437.588 2.679 20 0 IFADMP OC[C@]12C[NH2+]C[C@H]1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164402486 718853157 /nfs/dbraw/zinc/85/31/57/718853157.db2.gz FOKYQDOADKMHJU-QMHKHESXSA-N 2 1 427.618 2.574 20 0 IFADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164435010 718970200 /nfs/dbraw/zinc/97/02/00/718970200.db2.gz XKYWLKAZYOGHFX-MOPGFXCFSA-N 2 1 446.901 2.852 20 0 IFADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+](CC)CC)nc2sc(C)c(C)c21 ZINC001164619347 719017405 /nfs/dbraw/zinc/01/74/05/719017405.db2.gz VVUXUGORJYHBBC-IKGGRYGDSA-N 2 1 431.606 2.880 20 0 IFADMP CCOC(=O)c1c(Cl)nc(SC)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681635 719621469 /nfs/dbraw/zinc/62/14/69/719621469.db2.gz JVXHXMFQGGRVSV-UHFFFAOYSA-N 2 1 438.985 2.700 20 0 IFADMP CCOC(=O)c1c(Cl)nc(SC)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681635 719621476 /nfs/dbraw/zinc/62/14/76/719621476.db2.gz JVXHXMFQGGRVSV-UHFFFAOYSA-N 2 1 438.985 2.700 20 0 IFADMP CC(C)[N@H+](C)Cc1nn(-c2[nH]cc(NC(=O)OC(C)(C)C)c3ncnc2-3)c2c1CC[NH2+]C2 ZINC001164679503 719637273 /nfs/dbraw/zinc/63/72/73/719637273.db2.gz DBMKKCCUAZADRK-UHFFFAOYSA-N 2 1 440.552 2.977 20 0 IFADMP CC(C)[N@@H+](C)Cc1nn(-c2[nH]cc(NC(=O)OC(C)(C)C)c3ncnc2-3)c2c1CC[NH2+]C2 ZINC001164679503 719637282 /nfs/dbraw/zinc/63/72/82/719637282.db2.gz DBMKKCCUAZADRK-UHFFFAOYSA-N 2 1 440.552 2.977 20 0 IFADMP c1ccc(C[N@H+]2CCc3nc(N4CC[NH+]5C[C@H](Oc6cncnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164736731 720666265 /nfs/dbraw/zinc/66/62/65/720666265.db2.gz AUGTZTLOVPLYCV-XZOQPEGZSA-N 2 1 442.567 2.772 20 0 IFADMP c1ccc(C[NH+]2CCc3nc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164736731 720666274 /nfs/dbraw/zinc/66/62/74/720666274.db2.gz AUGTZTLOVPLYCV-XZOQPEGZSA-N 2 1 442.567 2.772 20 0 IFADMP c1ccc(C[NH+]2CCc3nc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164736731 720666280 /nfs/dbraw/zinc/66/62/80/720666280.db2.gz AUGTZTLOVPLYCV-XZOQPEGZSA-N 2 1 442.567 2.772 20 0 IFADMP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC[C@@H]2C1 ZINC001164859506 720859655 /nfs/dbraw/zinc/85/96/55/720859655.db2.gz UDSHZKNEKKTECN-KNQAVFIVSA-N 2 1 439.535 2.792 20 0 IFADMP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC[C@@H]2C1 ZINC001164859506 720859657 /nfs/dbraw/zinc/85/96/57/720859657.db2.gz UDSHZKNEKKTECN-KNQAVFIVSA-N 2 1 439.535 2.792 20 0 IFADMP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC[C@H]2C1 ZINC001164854853 720860205 /nfs/dbraw/zinc/86/02/05/720860205.db2.gz LEXCDOYMDFIQQQ-UGKGYDQZSA-N 2 1 439.535 2.792 20 0 IFADMP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC[C@H]2C1 ZINC001164854853 720860206 /nfs/dbraw/zinc/86/02/06/720860206.db2.gz LEXCDOYMDFIQQQ-UGKGYDQZSA-N 2 1 439.535 2.792 20 0 IFADMP FC1(F)CCN(c2nc(Cl)nc3c2CC[NH2+]C3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906961 721587537 /nfs/dbraw/zinc/58/75/37/721587537.db2.gz PNGCJLVIZFDYIJ-FQEVSTJZSA-N 2 1 434.922 2.908 20 0 IFADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001164912558 721761630 /nfs/dbraw/zinc/76/16/30/721761630.db2.gz ZVCRYRIIJINFAQ-UHFFFAOYSA-N 2 1 434.544 2.790 20 0 IFADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001164912558 721761635 /nfs/dbraw/zinc/76/16/35/721761635.db2.gz ZVCRYRIIJINFAQ-UHFFFAOYSA-N 2 1 434.544 2.790 20 0 IFADMP CN(CC1CC[NH+](C)CC1)c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165043386 721935952 /nfs/dbraw/zinc/93/59/52/721935952.db2.gz VIUUSAUDEWOEHH-IBGZPJMESA-N 2 1 431.625 2.658 20 0 IFADMP C[NH+]1CCN(c2ncnc3c2CCN(c2[nH+]c(N4CCCC4)cc4ccccc42)CC3)CC1 ZINC001165002679 722238198 /nfs/dbraw/zinc/23/81/98/722238198.db2.gz XFGAHANKTBRSFK-UHFFFAOYSA-N 2 1 443.599 2.982 20 0 IFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@H]5[NH2+]CCO[C@@H]5C4)c23)C1 ZINC001164389712 718824374 /nfs/dbraw/zinc/82/43/74/718824374.db2.gz JKNBRPBAASLVDY-KBAYOESNSA-N 2 1 427.618 2.979 20 0 IFADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001164616101 719017768 /nfs/dbraw/zinc/01/77/68/719017768.db2.gz KJTCNWNGWNWZJJ-ULQDDVLXSA-N 2 1 429.590 2.634 20 0 IFADMP CCOC(=O)c1cnc(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1Cl ZINC001164682713 719604454 /nfs/dbraw/zinc/60/44/54/719604454.db2.gz FMUBFRWJEMYKHL-UHFFFAOYSA-N 2 1 442.898 2.587 20 0 IFADMP CCOC(=O)c1cnc(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1Cl ZINC001164682713 719604465 /nfs/dbraw/zinc/60/44/65/719604465.db2.gz FMUBFRWJEMYKHL-UHFFFAOYSA-N 2 1 442.898 2.587 20 0 IFADMP COC(=O)c1ccc2nc(Cl)c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2c1 ZINC001164683422 719604712 /nfs/dbraw/zinc/60/47/12/719604712.db2.gz IZSVHHSKQDRGHJ-UHFFFAOYSA-N 2 1 428.924 2.741 20 0 IFADMP COC(=O)c1ccc2nc(Cl)c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2c1 ZINC001164683422 719604717 /nfs/dbraw/zinc/60/47/17/719604717.db2.gz IZSVHHSKQDRGHJ-UHFFFAOYSA-N 2 1 428.924 2.741 20 0 IFADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)c2c1CC[NH2+]C2 ZINC001164684594 719621303 /nfs/dbraw/zinc/62/13/03/719621303.db2.gz VIFLLVRXBKGLIZ-KRWDZBQOSA-N 2 1 444.971 2.850 20 0 IFADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)c2c1CC[NH2+]C2 ZINC001164684594 719621308 /nfs/dbraw/zinc/62/13/08/719621308.db2.gz VIFLLVRXBKGLIZ-KRWDZBQOSA-N 2 1 444.971 2.850 20 0 IFADMP CCOC(Cc1c(Cl)ncnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2)OCC ZINC001164682522 719622979 /nfs/dbraw/zinc/62/29/79/719622979.db2.gz NPLMRJONUFWXHV-UHFFFAOYSA-N 2 1 436.988 2.743 20 0 IFADMP CCOC(Cc1c(Cl)ncnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2)OCC ZINC001164682522 719622981 /nfs/dbraw/zinc/62/29/81/719622981.db2.gz NPLMRJONUFWXHV-UHFFFAOYSA-N 2 1 436.988 2.743 20 0 IFADMP CC(C)CNC(=O)c1ccc2c(c1)ncnc2-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683612 719632899 /nfs/dbraw/zinc/63/28/99/719632899.db2.gz UCXLDPRSSQJOFV-UHFFFAOYSA-N 2 1 435.576 2.687 20 0 IFADMP CC(C)CNC(=O)c1ccc2c(c1)ncnc2-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683612 719632910 /nfs/dbraw/zinc/63/29/10/719632910.db2.gz UCXLDPRSSQJOFV-UHFFFAOYSA-N 2 1 435.576 2.687 20 0 IFADMP Cc1nc(C[N@H+]2CCCC23CCN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC3)cs1 ZINC001164692178 719811512 /nfs/dbraw/zinc/81/15/12/719811512.db2.gz MZIWDAOMERMHHY-UHFFFAOYSA-N 2 1 440.617 2.527 20 0 IFADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839106 720521116 /nfs/dbraw/zinc/52/11/16/720521116.db2.gz SVRSINCYMGJJDJ-ZHALLVOQSA-N 2 1 437.548 2.709 20 0 IFADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839106 720521118 /nfs/dbraw/zinc/52/11/18/720521118.db2.gz SVRSINCYMGJJDJ-ZHALLVOQSA-N 2 1 437.548 2.709 20 0 IFADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839104 720521252 /nfs/dbraw/zinc/52/12/52/720521252.db2.gz SVRSINCYMGJJDJ-JENIJYKNSA-N 2 1 437.548 2.709 20 0 IFADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839104 720521259 /nfs/dbraw/zinc/52/12/59/720521259.db2.gz SVRSINCYMGJJDJ-JENIJYKNSA-N 2 1 437.548 2.709 20 0 IFADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164839342 720713643 /nfs/dbraw/zinc/71/36/43/720713643.db2.gz LEQOWXKTORONQW-OAQYLSRUSA-N 2 1 437.588 2.867 20 0 IFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164783593 721464203 /nfs/dbraw/zinc/46/42/03/721464203.db2.gz DOGXXCGJNJLKCE-JOCHJYFZSA-N 2 1 444.620 2.652 20 0 IFADMP FC1(F)CCN(c2nc(Cl)nc3c2C[NH2+]CC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905183 721584120 /nfs/dbraw/zinc/58/41/20/721584120.db2.gz UHXOCCNNQLRATR-HXUWFJFHSA-N 2 1 434.922 2.908 20 0 IFADMP FC1(F)CCN(c2nc(Cl)nc3c2C[NH2+]CC3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905182 721584286 /nfs/dbraw/zinc/58/42/86/721584286.db2.gz UHXOCCNNQLRATR-FQEVSTJZSA-N 2 1 434.922 2.908 20 0 IFADMP FC1(F)CCN(c2nc(Cl)nc3c2CC[NH2+]C3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906963 721587444 /nfs/dbraw/zinc/58/74/44/721587444.db2.gz PNGCJLVIZFDYIJ-HXUWFJFHSA-N 2 1 434.922 2.908 20 0 IFADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5c4CC[NH2+]C5)CC3)C2)cc1 ZINC001164939837 721922992 /nfs/dbraw/zinc/92/29/92/721922992.db2.gz NVUBUMNLHWVDPB-UHFFFAOYSA-N 2 1 427.980 2.956 20 0 IFADMP C[NH+](C)CC1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)CC1 ZINC001165045588 721947540 /nfs/dbraw/zinc/94/75/40/721947540.db2.gz SFAXORBXSNMZOH-IBGZPJMESA-N 2 1 431.625 2.658 20 0 IFADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[C@@H]3C2)c1 ZINC001164982279 722134783 /nfs/dbraw/zinc/13/47/83/722134783.db2.gz RMJTUAAUZAQDET-PKTZIBPZSA-N 2 1 437.588 2.679 20 0 IFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@H]5[NH2+]CCO[C@H]5C4)c23)C1 ZINC001164389717 718825014 /nfs/dbraw/zinc/82/50/14/718825014.db2.gz JKNBRPBAASLVDY-NXHRZFHOSA-N 2 1 427.618 2.979 20 0 IFADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCN5CC[NH2+]C[C@H]5C4)c23)C1 ZINC001164408040 718839965 /nfs/dbraw/zinc/83/99/65/718839965.db2.gz XULXUAPRSDGFKA-IRXDYDNUSA-N 2 1 426.634 2.506 20 0 IFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@@H]5C[NH2+]C[C@]5(CO)C4)c32)C1 ZINC001164410290 718852993 /nfs/dbraw/zinc/85/29/93/718852993.db2.gz ZVKYRWZBVATIGU-XVTZWQNCSA-N 2 1 441.645 2.820 20 0 IFADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+](CC)CC)nc2sc(C)c(C)c21 ZINC001164619354 719017355 /nfs/dbraw/zinc/01/73/55/719017355.db2.gz VVUXUGORJYHBBC-YESZJQIVSA-N 2 1 431.606 2.880 20 0 IFADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)nc1 ZINC001164656331 719327132 /nfs/dbraw/zinc/32/71/32/719327132.db2.gz XAVRVFHVBOKFDC-IBGZPJMESA-N 2 1 433.578 2.619 20 0 IFADMP CC(C)[N@H+](C)Cc1nn(-c2nccc(-c3cnc(N4CCCCC4)nc3)n2)c2c1CC[NH2+]C2 ZINC001164683676 719627900 /nfs/dbraw/zinc/62/79/00/719627900.db2.gz UPWXOABYGYJHHF-UHFFFAOYSA-N 2 1 447.591 2.596 20 0 IFADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc(-c3cnc(N4CCCCC4)nc3)n2)c2c1CC[NH2+]C2 ZINC001164683676 719627910 /nfs/dbraw/zinc/62/79/10/719627910.db2.gz UPWXOABYGYJHHF-UHFFFAOYSA-N 2 1 447.591 2.596 20 0 IFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164712565 720103293 /nfs/dbraw/zinc/10/32/93/720103293.db2.gz XCOZUBCDTIUTFV-GOSISDBHSA-N 2 1 442.995 2.678 20 0 IFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164711709 720132425 /nfs/dbraw/zinc/13/24/25/720132425.db2.gz IBSZCRNVKVIAQK-QFIPXVFZSA-N 2 1 437.588 2.821 20 0 IFADMP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC[C@H]2C1 ZINC001164859511 720859811 /nfs/dbraw/zinc/85/98/11/720859811.db2.gz UDSHZKNEKKTECN-UGKGYDQZSA-N 2 1 439.535 2.792 20 0 IFADMP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC[C@H]2C1 ZINC001164859511 720859813 /nfs/dbraw/zinc/85/98/13/720859813.db2.gz UDSHZKNEKKTECN-UGKGYDQZSA-N 2 1 439.535 2.792 20 0 IFADMP CCN(C)c1cc(C)[nH+]c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776521 721330899 /nfs/dbraw/zinc/33/08/99/721330899.db2.gz FZQGFVQLAIVROR-HSZRJFAPSA-N 2 1 428.581 2.965 20 0 IFADMP CCN(C)c1cc(C)[nH+]c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776521 721330902 /nfs/dbraw/zinc/33/09/02/721330902.db2.gz FZQGFVQLAIVROR-HSZRJFAPSA-N 2 1 428.581 2.965 20 0 IFADMP CN(CC1CC[NH+](C)CC1)c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165043387 721935865 /nfs/dbraw/zinc/93/58/65/721935865.db2.gz VIUUSAUDEWOEHH-LJQANCHMSA-N 2 1 431.625 2.658 20 0 IFADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCN5CC[NH2+]C[C@@H]5C4)c23)C1 ZINC001164408038 718839912 /nfs/dbraw/zinc/83/99/12/718839912.db2.gz XULXUAPRSDGFKA-DLBZAZTESA-N 2 1 426.634 2.506 20 0 IFADMP C(c1nc2sc3c(c2c(N2CCO[C@@H]4C[NH2+]CC[C@H]4C2)n1)CCC3)[NH+]1CCCCC1 ZINC001164409857 718863943 /nfs/dbraw/zinc/86/39/43/718863943.db2.gz VBXCNVRNPWYKEF-FUHWJXTLSA-N 2 1 427.618 2.981 20 0 IFADMP C(c1nc2sc3c(c2c(N2CCO[C@@H]4C[NH2+]CC[C@H]4C2)n1)CCCC3)[NH+]1CCCC1 ZINC001164409506 718864222 /nfs/dbraw/zinc/86/42/22/718864222.db2.gz QVPBHSDPEWNKJL-FUHWJXTLSA-N 2 1 427.618 2.981 20 0 IFADMP C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@@H]4C2)n1)CCCC3)[NH+]1CCCC1 ZINC001164409503 718864319 /nfs/dbraw/zinc/86/43/19/718864319.db2.gz QVPBHSDPEWNKJL-AEFFLSMTSA-N 2 1 427.618 2.981 20 0 IFADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001164616083 719017570 /nfs/dbraw/zinc/01/75/70/719017570.db2.gz KJTCNWNGWNWZJJ-IKGGRYGDSA-N 2 1 429.590 2.634 20 0 IFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5[C@H](C3)OCC[N@@H+]5C)n2)CCC4)CC1 ZINC001164665921 719443776 /nfs/dbraw/zinc/44/37/76/719443776.db2.gz ABDSHFKASFTGAM-MSOLQXFVSA-N 2 1 427.618 2.931 20 0 IFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5[C@H](C3)OCC[N@H+]5C)n2)CCC4)CC1 ZINC001164665921 719443780 /nfs/dbraw/zinc/44/37/80/719443780.db2.gz ABDSHFKASFTGAM-MSOLQXFVSA-N 2 1 427.618 2.931 20 0 IFADMP CC(C)[N@H+](C)Cc1nn(-c2ncc(C(=O)Nc3nncs3)cc2Cl)c2c1CC[NH2+]C2 ZINC001164679642 719643892 /nfs/dbraw/zinc/64/38/92/719643892.db2.gz JTEUZSOKPGOJON-UHFFFAOYSA-N 2 1 446.968 2.510 20 0 IFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(C(=O)Nc3nncs3)cc2Cl)c2c1CC[NH2+]C2 ZINC001164679642 719643898 /nfs/dbraw/zinc/64/38/98/719643898.db2.gz JTEUZSOKPGOJON-UHFFFAOYSA-N 2 1 446.968 2.510 20 0 IFADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164680617 719648056 /nfs/dbraw/zinc/64/80/56/719648056.db2.gz YPUFCGUITOSVAU-UHFFFAOYSA-N 2 1 447.587 2.652 20 0 IFADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164680617 719648068 /nfs/dbraw/zinc/64/80/68/719648068.db2.gz YPUFCGUITOSVAU-UHFFFAOYSA-N 2 1 447.587 2.652 20 0 IFADMP c1ccc(C[N@H+]2CCc3nc(N4CC[NH+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164736727 720664493 /nfs/dbraw/zinc/66/44/93/720664493.db2.gz AUGTZTLOVPLYCV-GOTSBHOMSA-N 2 1 442.567 2.772 20 0 IFADMP c1ccc(C[NH+]2CCc3nc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164736727 720664501 /nfs/dbraw/zinc/66/45/01/720664501.db2.gz AUGTZTLOVPLYCV-GOTSBHOMSA-N 2 1 442.567 2.772 20 0 IFADMP c1ccc(C[NH+]2CCc3nc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164736727 720664509 /nfs/dbraw/zinc/66/45/09/720664509.db2.gz AUGTZTLOVPLYCV-GOTSBHOMSA-N 2 1 442.567 2.772 20 0 IFADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc4c(n2)CC[NH2+]C4)C3)c1 ZINC001164748565 720875450 /nfs/dbraw/zinc/87/54/50/720875450.db2.gz FXBJDUWFHCCLTH-JYFHCDHNSA-N 2 1 433.600 2.877 20 0 IFADMP Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C1C[NH2+]C1 ZINC001164751394 720939509 /nfs/dbraw/zinc/93/95/09/720939509.db2.gz LXIYCGVMUDZFKY-JYFHCDHNSA-N 2 1 448.615 2.622 20 0 IFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C3CC[NH2+]CC3)n1)CC2 ZINC001164784513 721463664 /nfs/dbraw/zinc/46/36/64/721463664.db2.gz IOOSVFOWYSDYGF-QFIPXVFZSA-N 2 1 443.636 2.678 20 0 IFADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164809047 721542145 /nfs/dbraw/zinc/54/21/45/721542145.db2.gz UMCWCLYCYVTCIK-TUNNFDKTSA-N 2 1 442.995 2.860 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164809047 721542148 /nfs/dbraw/zinc/54/21/48/721542148.db2.gz UMCWCLYCYVTCIK-TUNNFDKTSA-N 2 1 442.995 2.860 20 0 IFADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164809046 721542401 /nfs/dbraw/zinc/54/24/01/721542401.db2.gz UMCWCLYCYVTCIK-SJBKTWHCSA-N 2 1 442.995 2.860 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164809046 721542405 /nfs/dbraw/zinc/54/24/05/721542405.db2.gz UMCWCLYCYVTCIK-SJBKTWHCSA-N 2 1 442.995 2.860 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H]2CCCO[C@H]21 ZINC001164807689 721588069 /nfs/dbraw/zinc/58/80/69/721588069.db2.gz PMKLVOSRWCSOTQ-GIFXNVAJSA-N 2 1 437.588 2.818 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164801727 721590679 /nfs/dbraw/zinc/59/06/79/721590679.db2.gz FKWWVVPMZMEXQA-VDKIKQQVSA-N 2 1 437.588 2.723 20 0 IFADMP C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164907346 721712696 /nfs/dbraw/zinc/71/26/96/721712696.db2.gz RAJALEUGRAUAOB-HSZRJFAPSA-N 2 1 442.558 2.966 20 0 IFADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[C@@H]3C2)c1 ZINC001164982275 722135040 /nfs/dbraw/zinc/13/50/40/722135040.db2.gz RMJTUAAUZAQDET-DHIUTWEWSA-N 2 1 437.588 2.679 20 0 IFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCN5CC[NH2+]C[C@@H]5C3)n2)CCC4)CC1 ZINC001164401750 718839975 /nfs/dbraw/zinc/83/99/75/718839975.db2.gz AFDXXOGGGLJTFD-QGZVFWFLSA-N 2 1 426.634 2.506 20 0 IFADMP C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@H]4C2)n1)CCC3)[NH+]1CCCCC1 ZINC001164409861 718863976 /nfs/dbraw/zinc/86/39/76/718863976.db2.gz VBXCNVRNPWYKEF-WMZOPIPTSA-N 2 1 427.618 2.981 20 0 IFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)n1 ZINC001164415994 718885687 /nfs/dbraw/zinc/88/56/87/718885687.db2.gz PJSXWDSLUREEGP-UHFFFAOYSA-N 2 1 440.621 2.840 20 0 IFADMP COC(=O)c1cc(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)cnc1Cl ZINC001164685993 719614311 /nfs/dbraw/zinc/61/43/11/719614311.db2.gz XKZCLAXXSLLXSP-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP COC(=O)c1cc(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)cnc1Cl ZINC001164685993 719614327 /nfs/dbraw/zinc/61/43/27/719614327.db2.gz XKZCLAXXSLLXSP-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP COC(=O)c1ccc(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)n1 ZINC001164683249 719619145 /nfs/dbraw/zinc/61/91/45/719619145.db2.gz RQFGUOIUWHNCOH-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP COC(=O)c1ccc(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)n1 ZINC001164683249 719619147 /nfs/dbraw/zinc/61/91/47/719619147.db2.gz RQFGUOIUWHNCOH-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3c2ncn3Cc2ccccc2F)c2c1CC[NH2+]C2 ZINC001164683090 719628050 /nfs/dbraw/zinc/62/80/50/719628050.db2.gz QLRFQFAWFJPWIB-UHFFFAOYSA-N 2 1 434.523 2.685 20 0 IFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c2ncn3Cc2ccccc2F)c2c1CC[NH2+]C2 ZINC001164683090 719628058 /nfs/dbraw/zinc/62/80/58/719628058.db2.gz QLRFQFAWFJPWIB-UHFFFAOYSA-N 2 1 434.523 2.685 20 0 IFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164711708 720133368 /nfs/dbraw/zinc/13/33/68/720133368.db2.gz IBSZCRNVKVIAQK-JOCHJYFZSA-N 2 1 437.588 2.821 20 0 IFADMP COc1ccc2c(C)cc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)[nH+]c2c1 ZINC001164718354 720188178 /nfs/dbraw/zinc/18/81/78/720188178.db2.gz OXRBZWFCOURAAY-QFIPXVFZSA-N 2 1 436.560 2.897 20 0 IFADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164722370 720304493 /nfs/dbraw/zinc/30/44/93/720304493.db2.gz KREHRPBJJIDFKB-WIOPSUGQSA-N 2 1 443.636 2.683 20 0 IFADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164722370 720304503 /nfs/dbraw/zinc/30/45/03/720304503.db2.gz KREHRPBJJIDFKB-WIOPSUGQSA-N 2 1 443.636 2.683 20 0 IFADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1 ZINC001164722370 720304512 /nfs/dbraw/zinc/30/45/12/720304512.db2.gz KREHRPBJJIDFKB-WIOPSUGQSA-N 2 1 443.636 2.683 20 0 IFADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1 ZINC001164722370 720304521 /nfs/dbraw/zinc/30/45/21/720304521.db2.gz KREHRPBJJIDFKB-WIOPSUGQSA-N 2 1 443.636 2.683 20 0 IFADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164843385 720702015 /nfs/dbraw/zinc/70/20/15/720702015.db2.gz OZXTVRBJHAWBDN-QFIPXVFZSA-N 2 1 436.604 2.664 20 0 IFADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164843385 720702017 /nfs/dbraw/zinc/70/20/17/720702017.db2.gz OZXTVRBJHAWBDN-QFIPXVFZSA-N 3 1 436.604 2.664 20 0 IFADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164843385 720702018 /nfs/dbraw/zinc/70/20/18/720702018.db2.gz OZXTVRBJHAWBDN-QFIPXVFZSA-N 3 1 436.604 2.664 20 0 IFADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]cc21 ZINC001164745785 720844622 /nfs/dbraw/zinc/84/46/22/720844622.db2.gz NKEXCFJMQRPXRG-NPPFBWRTSA-N 2 1 449.559 2.711 20 0 IFADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]cc21 ZINC001164745782 720844689 /nfs/dbraw/zinc/84/46/89/720844689.db2.gz NKEXCFJMQRPXRG-JBYIUTFZSA-N 2 1 449.559 2.711 20 0 IFADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cccc(N4CCOCC4)[nH+]3)C2)C1 ZINC001164780318 721360323 /nfs/dbraw/zinc/36/03/23/721360323.db2.gz GBAYHXCDZXTMIU-XMMPIXPASA-N 2 1 441.576 2.642 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164801714 721590954 /nfs/dbraw/zinc/59/09/54/721590954.db2.gz FKWWVVPMZMEXQA-ARNLJNQMSA-N 2 1 437.588 2.723 20 0 IFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)C[C@@H]21 ZINC001165022102 721828923 /nfs/dbraw/zinc/82/89/23/721828923.db2.gz GHOUCFULZLMTPY-ACIOBRDBSA-N 2 1 436.604 2.987 20 0 IFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@@H]5C[NH2+]C[C@@]5(CO)C4)c32)C1 ZINC001164410284 718853091 /nfs/dbraw/zinc/85/30/91/718853091.db2.gz ZVKYRWZBVATIGU-KCYKTTMJSA-N 2 1 441.645 2.820 20 0 IFADMP C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@H]4C2)n1)CCCC3)[NH+]1CCCC1 ZINC001164409510 718864346 /nfs/dbraw/zinc/86/43/46/718864346.db2.gz QVPBHSDPEWNKJL-WMZOPIPTSA-N 2 1 427.618 2.981 20 0 IFADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164435011 718969866 /nfs/dbraw/zinc/96/98/66/718969866.db2.gz XKYWLKAZYOGHFX-OALUTQOASA-N 2 1 446.901 2.852 20 0 IFADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164614262 719011289 /nfs/dbraw/zinc/01/12/89/719011289.db2.gz DTSMSYKWMWBISM-BWKNWUBXSA-N 2 1 442.604 2.704 20 0 IFADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3c2CN(Cc2ccccc2)CC3)c2c1CC[NH2+]C2 ZINC001164684105 719608283 /nfs/dbraw/zinc/60/82/83/719608283.db2.gz MIFFVKNHXYLCQZ-UHFFFAOYSA-N 2 1 431.588 2.707 20 0 IFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c2CN(Cc2ccccc2)CC3)c2c1CC[NH2+]C2 ZINC001164684105 719608287 /nfs/dbraw/zinc/60/82/87/719608287.db2.gz MIFFVKNHXYLCQZ-UHFFFAOYSA-N 2 1 431.588 2.707 20 0 IFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164712568 720103193 /nfs/dbraw/zinc/10/31/93/720103193.db2.gz XCOZUBCDTIUTFV-SFHVURJKSA-N 2 1 442.995 2.678 20 0 IFADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc4c(n2)CC[NH2+]C4)C3)c1 ZINC001164748569 720875671 /nfs/dbraw/zinc/87/56/71/720875671.db2.gz FXBJDUWFHCCLTH-ZEQKJWHPSA-N 2 1 433.600 2.877 20 0 IFADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc4c(n2)CC[NH2+]C4)C3)c1 ZINC001164748567 720875910 /nfs/dbraw/zinc/87/59/10/720875910.db2.gz FXBJDUWFHCCLTH-OZXSUGGESA-N 2 1 433.600 2.877 20 0 IFADMP O=C1COc2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2N1 ZINC001164750717 720891781 /nfs/dbraw/zinc/89/17/81/720891781.db2.gz BRNIXWHLIAJPEX-CPJSRVTESA-N 2 1 449.555 2.563 20 0 IFADMP O=C1COc2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2N1 ZINC001164750717 720891784 /nfs/dbraw/zinc/89/17/84/720891784.db2.gz BRNIXWHLIAJPEX-CPJSRVTESA-N 2 1 449.555 2.563 20 0 IFADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164771364 721115257 /nfs/dbraw/zinc/11/52/57/721115257.db2.gz SHGPYVQSXCPNOF-PKTZIBPZSA-N 2 1 443.599 2.727 20 0 IFADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164771364 721115266 /nfs/dbraw/zinc/11/52/66/721115266.db2.gz SHGPYVQSXCPNOF-PKTZIBPZSA-N 2 1 443.599 2.727 20 0 IFADMP Cn1cc(C[NH+]2CC[C@@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164771364 721115277 /nfs/dbraw/zinc/11/52/77/721115277.db2.gz SHGPYVQSXCPNOF-PKTZIBPZSA-N 2 1 443.599 2.727 20 0 IFADMP Cn1cc(C[NH+]2CC[C@@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164771364 721115286 /nfs/dbraw/zinc/11/52/86/721115286.db2.gz SHGPYVQSXCPNOF-PKTZIBPZSA-N 2 1 443.599 2.727 20 0 IFADMP CCN(C)c1cc(C)[nH+]c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776523 721330845 /nfs/dbraw/zinc/33/08/45/721330845.db2.gz FZQGFVQLAIVROR-QHCPKHFHSA-N 2 1 428.581 2.965 20 0 IFADMP CCN(C)c1cc(C)[nH+]c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC001164776523 721330847 /nfs/dbraw/zinc/33/08/47/721330847.db2.gz FZQGFVQLAIVROR-QHCPKHFHSA-N 2 1 428.581 2.965 20 0 IFADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(C4CC[NH2+]CC4)n3)C2)C1 ZINC001164779954 721360834 /nfs/dbraw/zinc/36/08/34/721360834.db2.gz BHTAPXKQUZSWPL-DEOSSOPVSA-N 2 1 440.592 2.667 20 0 IFADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(C4CC[NH2+]CC4)n3)C2)C1 ZINC001164779954 721360844 /nfs/dbraw/zinc/36/08/44/721360844.db2.gz BHTAPXKQUZSWPL-DEOSSOPVSA-N 2 1 440.592 2.667 20 0 IFADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164906414 721566157 /nfs/dbraw/zinc/56/61/57/721566157.db2.gz IVIKPPAEVSIBNP-NFBKMPQASA-N 2 1 426.536 2.941 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164801723 721590614 /nfs/dbraw/zinc/59/06/14/721590614.db2.gz FKWWVVPMZMEXQA-OYRHQHFDSA-N 2 1 437.588 2.723 20 0 IFADMP [NH3+]C1CCN(c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164907807 721714391 /nfs/dbraw/zinc/71/43/91/721714391.db2.gz UHXJVMQRDQSKPI-JOCHJYFZSA-N 2 1 443.546 2.537 20 0 IFADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc(N5CCC([NH3+])CC5)n4)CC3)C2)cc1 ZINC001164938652 721928985 /nfs/dbraw/zinc/92/89/85/721928985.db2.gz CUJPSFVBXHZCGC-UHFFFAOYSA-N 2 1 436.604 2.584 20 0 IFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCN5CC[NH2+]C[C@H]5C4)c23)C1 ZINC001164408041 718839835 /nfs/dbraw/zinc/83/98/35/718839835.db2.gz XULXUAPRSDGFKA-SJORKVTESA-N 2 1 426.634 2.506 20 0 IFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCN5CC[NH2+]C[C@@H]5C4)c23)C1 ZINC001164402707 718839872 /nfs/dbraw/zinc/83/98/72/718839872.db2.gz GJDYGDWRSFPMTA-QZTJIDSGSA-N 2 1 440.661 2.896 20 0 IFADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c2c1C ZINC001164416564 718885524 /nfs/dbraw/zinc/88/55/24/718885524.db2.gz ZPAXNGKUSOYTQN-UHFFFAOYSA-N 2 1 438.605 2.594 20 0 IFADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCCO[C@]4(C[NH2+]CCOC4)C3)c2c1C ZINC001164423456 718916657 /nfs/dbraw/zinc/91/66/57/718916657.db2.gz GVEYOFYEPTXLDW-HSZRJFAPSA-N 2 1 445.633 2.879 20 0 IFADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+](CC)CC)nc2sc(C)c(C)c21 ZINC001164619352 719017731 /nfs/dbraw/zinc/01/77/31/719017731.db2.gz VVUXUGORJYHBBC-ULQDDVLXSA-N 2 1 431.606 2.880 20 0 IFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5OCC[N@H+](C)[C@@H]5C3)n2)CCC4)CC1 ZINC001164665933 719443038 /nfs/dbraw/zinc/44/30/38/719443038.db2.gz ABDSHFKASFTGAM-QZTJIDSGSA-N 2 1 427.618 2.931 20 0 IFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5OCC[N@@H+](C)[C@@H]5C3)n2)CCC4)CC1 ZINC001164665933 719443042 /nfs/dbraw/zinc/44/30/42/719443042.db2.gz ABDSHFKASFTGAM-QZTJIDSGSA-N 2 1 427.618 2.931 20 0 IFADMP COC(=O)c1ccc(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1Cl ZINC001164684184 719612833 /nfs/dbraw/zinc/61/28/33/719612833.db2.gz MXINRVFWOQFYJU-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP COC(=O)c1ccc(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1Cl ZINC001164684184 719612842 /nfs/dbraw/zinc/61/28/42/719612842.db2.gz MXINRVFWOQFYJU-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP CCOC(=O)c1c[nH]c2cc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)[nH+]cc21 ZINC001164813933 720234315 /nfs/dbraw/zinc/23/43/15/720234315.db2.gz RXQUNORJSTXUMY-UHFFFAOYSA-N 2 1 438.532 2.547 20 0 IFADMP CCOC(=O)c1c[nH]c2cc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)[nH+]cc21 ZINC001164813933 720234323 /nfs/dbraw/zinc/23/43/23/720234323.db2.gz RXQUNORJSTXUMY-UHFFFAOYSA-N 2 1 438.532 2.547 20 0 IFADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164722368 720305531 /nfs/dbraw/zinc/30/55/31/720305531.db2.gz KREHRPBJJIDFKB-RDGATRHJSA-N 2 1 443.636 2.683 20 0 IFADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164722368 720305536 /nfs/dbraw/zinc/30/55/36/720305536.db2.gz KREHRPBJJIDFKB-RDGATRHJSA-N 2 1 443.636 2.683 20 0 IFADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1 ZINC001164722368 720305548 /nfs/dbraw/zinc/30/55/48/720305548.db2.gz KREHRPBJJIDFKB-RDGATRHJSA-N 2 1 443.636 2.683 20 0 IFADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1 ZINC001164722368 720305551 /nfs/dbraw/zinc/30/55/51/720305551.db2.gz KREHRPBJJIDFKB-RDGATRHJSA-N 2 1 443.636 2.683 20 0 IFADMP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC[C@H]2C1 ZINC001164854852 720860449 /nfs/dbraw/zinc/86/04/49/720860449.db2.gz LEXCDOYMDFIQQQ-SIKLNZKXSA-N 2 1 439.535 2.792 20 0 IFADMP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC[C@H]2C1 ZINC001164854852 720860451 /nfs/dbraw/zinc/86/04/51/720860451.db2.gz LEXCDOYMDFIQQQ-SIKLNZKXSA-N 2 1 439.535 2.792 20 0 IFADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164809048 721542720 /nfs/dbraw/zinc/54/27/20/721542720.db2.gz UMCWCLYCYVTCIK-VWPQPMDRSA-N 2 1 442.995 2.860 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164809048 721542725 /nfs/dbraw/zinc/54/27/25/721542725.db2.gz UMCWCLYCYVTCIK-VWPQPMDRSA-N 2 1 442.995 2.860 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164802957 721571362 /nfs/dbraw/zinc/57/13/62/721571362.db2.gz IXIGVJGLSQQYRP-RQTOMXEWSA-N 2 1 437.588 2.819 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@H]2CCCO[C@H]12 ZINC001164807691 721588364 /nfs/dbraw/zinc/58/83/64/721588364.db2.gz PMKLVOSRWCSOTQ-LSQMVHIFSA-N 2 1 437.588 2.818 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164801718 721590697 /nfs/dbraw/zinc/59/06/97/721590697.db2.gz FKWWVVPMZMEXQA-JBRSBNLGSA-N 2 1 437.588 2.723 20 0 IFADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](C3CCCC3)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165031542 721858601 /nfs/dbraw/zinc/85/86/01/721858601.db2.gz BENOUVMUJLCJPK-LJQANCHMSA-N 2 1 443.636 2.945 20 0 IFADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](C3CCCC3)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165031542 721858603 /nfs/dbraw/zinc/85/86/03/721858603.db2.gz BENOUVMUJLCJPK-LJQANCHMSA-N 2 1 443.636 2.945 20 0 IFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CC[C@@H]5[NH2+]CCO[C@@H]5C4)c23)C1 ZINC001164389709 718824697 /nfs/dbraw/zinc/82/46/97/718824697.db2.gz JKNBRPBAASLVDY-BPQIPLTHSA-N 2 1 427.618 2.979 20 0 IFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)n1 ZINC001164423844 718916558 /nfs/dbraw/zinc/91/65/58/718916558.db2.gz KCIYHCRSGQTJCO-QFIPXVFZSA-N 2 1 433.622 2.735 20 0 IFADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001164616104 719017639 /nfs/dbraw/zinc/01/76/39/719017639.db2.gz KJTCNWNGWNWZJJ-YESZJQIVSA-N 2 1 429.590 2.634 20 0 IFADMP COc1cc2nc(Cl)c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2cc1OC ZINC001164683618 719623921 /nfs/dbraw/zinc/62/39/21/719623921.db2.gz UECBCMQUPAFXNK-UHFFFAOYSA-N 2 1 430.940 2.972 20 0 IFADMP COc1cc2nc(Cl)c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2cc1OC ZINC001164683618 719623928 /nfs/dbraw/zinc/62/39/28/719623928.db2.gz UECBCMQUPAFXNK-UHFFFAOYSA-N 2 1 430.940 2.972 20 0 IFADMP COC(=O)c1cc(Cl)nc(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164681521 719627168 /nfs/dbraw/zinc/62/71/68/719627168.db2.gz HABKNLUUXFAHQA-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP COC(=O)c1cc(Cl)nc(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164681521 719627174 /nfs/dbraw/zinc/62/71/74/719627174.db2.gz HABKNLUUXFAHQA-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP CCOC(=O)c1nc(Cl)nc(Cl)c1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683505 719627426 /nfs/dbraw/zinc/62/74/26/719627426.db2.gz SPYCSCKILJWOHG-UHFFFAOYSA-N 2 1 427.336 2.632 20 0 IFADMP CCOC(=O)c1nc(Cl)nc(Cl)c1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683505 719627432 /nfs/dbraw/zinc/62/74/32/719627432.db2.gz SPYCSCKILJWOHG-UHFFFAOYSA-N 2 1 427.336 2.632 20 0 IFADMP [NH3+]C1CCN(c2cccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)[nH+]2)CC1 ZINC001164698355 719897132 /nfs/dbraw/zinc/89/71/32/719897132.db2.gz RWZPVHGGOBLXOU-UHFFFAOYSA-N 3 1 427.618 2.942 20 0 IFADMP [NH3+]C1CCN(c2cccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)[nH+]2)CC1 ZINC001164698355 719897134 /nfs/dbraw/zinc/89/71/34/719897134.db2.gz RWZPVHGGOBLXOU-UHFFFAOYSA-N 2 1 427.618 2.942 20 0 IFADMP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC[C@@H]2C1 ZINC001164859504 720859621 /nfs/dbraw/zinc/85/96/21/720859621.db2.gz UDSHZKNEKKTECN-DENIHFKCSA-N 2 1 439.535 2.792 20 0 IFADMP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC[C@@H]2C1 ZINC001164859504 720859622 /nfs/dbraw/zinc/85/96/22/720859622.db2.gz UDSHZKNEKKTECN-DENIHFKCSA-N 2 1 439.535 2.792 20 0 IFADMP O=C1COc2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2N1 ZINC001164750713 720891687 /nfs/dbraw/zinc/89/16/87/720891687.db2.gz BRNIXWHLIAJPEX-CJFMBICVSA-N 2 1 449.555 2.563 20 0 IFADMP O=C1COc2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2N1 ZINC001164750713 720891691 /nfs/dbraw/zinc/89/16/91/720891691.db2.gz BRNIXWHLIAJPEX-CJFMBICVSA-N 2 1 449.555 2.563 20 0 IFADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](C3CCCC3)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165031539 721858807 /nfs/dbraw/zinc/85/88/07/721858807.db2.gz BENOUVMUJLCJPK-IBGZPJMESA-N 2 1 443.636 2.945 20 0 IFADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[NH+](C3CCCC3)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165031539 721858808 /nfs/dbraw/zinc/85/88/08/721858808.db2.gz BENOUVMUJLCJPK-IBGZPJMESA-N 2 1 443.636 2.945 20 0 IFADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)CC1 ZINC001164975489 722152575 /nfs/dbraw/zinc/15/25/75/722152575.db2.gz TXMBPPPAKSXDKO-ZJSXRUAMSA-N 3 1 437.588 2.677 20 0 IFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)CC1 ZINC001164975489 722152576 /nfs/dbraw/zinc/15/25/76/722152576.db2.gz TXMBPPPAKSXDKO-ZJSXRUAMSA-N 2 1 437.588 2.677 20 0 IFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)CC1 ZINC001164975489 722152579 /nfs/dbraw/zinc/15/25/79/722152579.db2.gz TXMBPPPAKSXDKO-ZJSXRUAMSA-N 2 1 437.588 2.677 20 0 IFADMP C(c1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@@H]4C2)n1)CCCC3)[NH+]1CCCCC1 ZINC001164403431 718839578 /nfs/dbraw/zinc/83/95/78/718839578.db2.gz ITKTWGLQUMPVIN-QGZVFWFLSA-N 2 1 426.634 2.650 20 0 IFADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCOCC45C[NH2+]C5)c23)C1 ZINC001164401445 718860843 /nfs/dbraw/zinc/86/08/43/718860843.db2.gz DTBCEAHVRQOZRL-INIZCTEOSA-N 2 1 427.618 2.981 20 0 IFADMP C(c1nc2sc3c(c2c(N2CCO[C@H]4C[NH2+]CC[C@@H]4C2)n1)CCC3)[NH+]1CCCCC1 ZINC001164409855 718863793 /nfs/dbraw/zinc/86/37/93/718863793.db2.gz VBXCNVRNPWYKEF-AEFFLSMTSA-N 2 1 427.618 2.981 20 0 IFADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2 ZINC001164435013 718970057 /nfs/dbraw/zinc/97/00/57/718970057.db2.gz XKYWLKAZYOGHFX-RTBURBONSA-N 2 1 446.901 2.852 20 0 IFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5OCC[N@H+](C)[C@H]5C3)n2)CCC4)CC1 ZINC001164665938 719443600 /nfs/dbraw/zinc/44/36/00/719443600.db2.gz ABDSHFKASFTGAM-ROUUACIJSA-N 2 1 427.618 2.931 20 0 IFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5OCC[N@@H+](C)[C@H]5C3)n2)CCC4)CC1 ZINC001164665938 719443613 /nfs/dbraw/zinc/44/36/13/719443613.db2.gz ABDSHFKASFTGAM-ROUUACIJSA-N 2 1 427.618 2.931 20 0 IFADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)c2c1CC[NH2+]C2 ZINC001164684599 719621742 /nfs/dbraw/zinc/62/17/42/719621742.db2.gz VIFLLVRXBKGLIZ-QGZVFWFLSA-N 2 1 444.971 2.850 20 0 IFADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)c2c1CC[NH2+]C2 ZINC001164684599 719621750 /nfs/dbraw/zinc/62/17/50/719621750.db2.gz VIFLLVRXBKGLIZ-QGZVFWFLSA-N 2 1 444.971 2.850 20 0 IFADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(N4CC[NH+](C)CC4)nn2)CC3)cs1 ZINC001164692938 719803946 /nfs/dbraw/zinc/80/39/46/719803946.db2.gz QQBGHWHEUBYXEA-UHFFFAOYSA-N 2 1 427.622 2.628 20 0 IFADMP c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164727295 720561108 /nfs/dbraw/zinc/56/11/08/720561108.db2.gz CZPVSZDEBPWRHS-UHFFFAOYSA-N 2 1 443.599 2.890 20 0 IFADMP c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164727295 720561120 /nfs/dbraw/zinc/56/11/20/720561120.db2.gz CZPVSZDEBPWRHS-UHFFFAOYSA-N 2 1 443.599 2.890 20 0 IFADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)[nH+]cc21 ZINC001164745784 720844427 /nfs/dbraw/zinc/84/44/27/720844427.db2.gz NKEXCFJMQRPXRG-NJNPRVFISA-N 2 1 449.559 2.711 20 0 IFADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[NH+](CC(=O)N(C)C)C3)nc1 ZINC001164875743 721291731 /nfs/dbraw/zinc/29/17/31/721291731.db2.gz GIFOILUHTVBNKH-JOCHJYFZSA-N 2 1 443.636 2.636 20 0 IFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1 ZINC001164875743 721291738 /nfs/dbraw/zinc/29/17/38/721291738.db2.gz GIFOILUHTVBNKH-JOCHJYFZSA-N 2 1 443.636 2.636 20 0 IFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1 ZINC001164875743 721291746 /nfs/dbraw/zinc/29/17/46/721291746.db2.gz GIFOILUHTVBNKH-JOCHJYFZSA-N 2 1 443.636 2.636 20 0 IFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164802959 721571325 /nfs/dbraw/zinc/57/13/25/721571325.db2.gz IXIGVJGLSQQYRP-TZBSWOFLSA-N 2 1 437.588 2.819 20 0 IFADMP FC1(F)CCN(c2ccc(N3CC[NH2+]CC3)cn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905530 721717468 /nfs/dbraw/zinc/71/74/68/721717468.db2.gz HDNVVBGTYYNOIK-JOCHJYFZSA-N 2 1 428.531 2.624 20 0 IFADMP FC1(F)CCN(c2ccc(OC3CC[NH2+]CC3)nn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164911756 721725871 /nfs/dbraw/zinc/72/58/71/721725871.db2.gz KEZGFZOMAJIALU-QFIPXVFZSA-N 2 1 444.530 2.740 20 0 IFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4C[C@H]5C[NH2+]C[C@@]5(CO)C4)c32)C1 ZINC001164410286 718853222 /nfs/dbraw/zinc/85/32/22/718853222.db2.gz ZVKYRWZBVATIGU-OJLQRUNKSA-N 2 1 441.645 2.820 20 0 IFADMP OC[C@@]12C[NH2+]C[C@@H]1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164402483 718853284 /nfs/dbraw/zinc/85/32/84/718853284.db2.gz FOKYQDOADKMHJU-MWTRTKDXSA-N 2 1 427.618 2.574 20 0 IFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5OCC[N@H+](C)[C@H]5C3)n2)CCC4)CC1 ZINC001164665942 719443833 /nfs/dbraw/zinc/44/38/33/719443833.db2.gz ABDSHFKASFTGAM-ZWKOTPCHSA-N 2 1 427.618 2.931 20 0 IFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5OCC[N@@H+](C)[C@H]5C3)n2)CCC4)CC1 ZINC001164665942 719443837 /nfs/dbraw/zinc/44/38/37/719443837.db2.gz ABDSHFKASFTGAM-ZWKOTPCHSA-N 2 1 427.618 2.931 20 0 IFADMP CCOC(=O)c1sc2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164682557 719602655 /nfs/dbraw/zinc/60/26/55/719602655.db2.gz DVKAHSCCRGCMSB-UHFFFAOYSA-N 2 1 428.562 2.848 20 0 IFADMP CCOC(=O)c1sc2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164682557 719602662 /nfs/dbraw/zinc/60/26/62/719602662.db2.gz DVKAHSCCRGCMSB-UHFFFAOYSA-N 2 1 428.562 2.848 20 0 IFADMP COc1cc2nc(Cl)nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2cc1OC ZINC001164685794 719617747 /nfs/dbraw/zinc/61/77/47/719617747.db2.gz WCPUWJLACZZLAL-UHFFFAOYSA-N 2 1 430.940 2.972 20 0 IFADMP COc1cc2nc(Cl)nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2cc1OC ZINC001164685794 719617754 /nfs/dbraw/zinc/61/77/54/719617754.db2.gz WCPUWJLACZZLAL-UHFFFAOYSA-N 2 1 430.940 2.972 20 0 IFADMP COC(=O)c1nc(Cl)ccc1C(F)(F)n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684861 719619200 /nfs/dbraw/zinc/61/92/00/719619200.db2.gz YEWQNOLBRAIKOZ-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP COC(=O)c1nc(Cl)ccc1C(F)(F)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684861 719619201 /nfs/dbraw/zinc/61/92/01/719619201.db2.gz YEWQNOLBRAIKOZ-UHFFFAOYSA-N 2 1 427.883 2.802 20 0 IFADMP Cc1cc2nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc(N3CCOCC3)c2s1 ZINC001164683070 719630536 /nfs/dbraw/zinc/63/05/36/719630536.db2.gz QLKINVNESNUQIV-UHFFFAOYSA-N 2 1 441.605 2.508 20 0 IFADMP Cc1cc2nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc(N3CCOCC3)c2s1 ZINC001164683070 719630559 /nfs/dbraw/zinc/63/05/59/719630559.db2.gz QLKINVNESNUQIV-UHFFFAOYSA-N 2 1 441.605 2.508 20 0 IFADMP CC(C)[N@H+](C)Cc1nn([C@@](F)(COc2cncc(Cl)n2)C(F)F)c2c1CC[NH2+]C2 ZINC001164680561 719643758 /nfs/dbraw/zinc/64/37/58/719643758.db2.gz WBPLONQJXWXOFW-SFHVURJKSA-N 2 1 432.878 2.779 20 0 IFADMP CC(C)[N@@H+](C)Cc1nn([C@@](F)(COc2cncc(Cl)n2)C(F)F)c2c1CC[NH2+]C2 ZINC001164680561 719643764 /nfs/dbraw/zinc/64/37/64/719643764.db2.gz WBPLONQJXWXOFW-SFHVURJKSA-N 2 1 432.878 2.779 20 0 IFADMP c1csc(C[N@H+]2CCOC3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)CC3)C2)c1 ZINC001164706936 719898431 /nfs/dbraw/zinc/89/84/31/719898431.db2.gz LVBFNQRPJDJUKS-UHFFFAOYSA-N 2 1 429.590 2.540 20 0 IFADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164722364 720304708 /nfs/dbraw/zinc/30/47/08/720304708.db2.gz KREHRPBJJIDFKB-DHLKQENFSA-N 2 1 443.636 2.683 20 0 IFADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[NH+](CC(=O)NC)C3)nc1 ZINC001164722364 720304714 /nfs/dbraw/zinc/30/47/14/720304714.db2.gz KREHRPBJJIDFKB-DHLKQENFSA-N 2 1 443.636 2.683 20 0 IFADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)nc1 ZINC001164722364 720304722 /nfs/dbraw/zinc/30/47/22/720304722.db2.gz KREHRPBJJIDFKB-DHLKQENFSA-N 2 1 443.636 2.683 20 0 IFADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)nc1 ZINC001164722364 720304729 /nfs/dbraw/zinc/30/47/29/720304729.db2.gz KREHRPBJJIDFKB-DHLKQENFSA-N 2 1 443.636 2.683 20 0 IFADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164843384 720700744 /nfs/dbraw/zinc/70/07/44/720700744.db2.gz OZXTVRBJHAWBDN-JOCHJYFZSA-N 2 1 436.604 2.664 20 0 IFADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164843384 720700754 /nfs/dbraw/zinc/70/07/54/720700754.db2.gz OZXTVRBJHAWBDN-JOCHJYFZSA-N 3 1 436.604 2.664 20 0 IFADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164843384 720700763 /nfs/dbraw/zinc/70/07/63/720700763.db2.gz OZXTVRBJHAWBDN-JOCHJYFZSA-N 3 1 436.604 2.664 20 0 IFADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164857126 720846782 /nfs/dbraw/zinc/84/67/82/720846782.db2.gz XQLDTOBAJQCSNE-UKILVPOCSA-N 2 1 436.600 2.813 20 0 IFADMP COCC[NH+]1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164857126 720846783 /nfs/dbraw/zinc/84/67/83/720846783.db2.gz XQLDTOBAJQCSNE-UKILVPOCSA-N 2 1 436.600 2.813 20 0 IFADMP COCC[NH+]1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC[C@H]2C1 ZINC001164857126 720846784 /nfs/dbraw/zinc/84/67/84/720846784.db2.gz XQLDTOBAJQCSNE-UKILVPOCSA-N 2 1 436.600 2.813 20 0 IFADMP Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C1C[NH2+]C1 ZINC001164751393 720939759 /nfs/dbraw/zinc/93/97/59/720939759.db2.gz LXIYCGVMUDZFKY-BVAGGSTKSA-N 2 1 448.615 2.622 20 0 IFADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1 ZINC001164754838 720969046 /nfs/dbraw/zinc/96/90/46/720969046.db2.gz YHAQQSHDRRGCHT-HXUWFJFHSA-N 2 1 440.592 2.861 20 0 IFADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1 ZINC001164795656 721521389 /nfs/dbraw/zinc/52/13/89/721521389.db2.gz QGMZZCYIXJBJFI-QHCPKHFHSA-N 2 1 437.636 2.983 20 0 IFADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2)CC1 ZINC001164975486 722153009 /nfs/dbraw/zinc/15/30/09/722153009.db2.gz TXMBPPPAKSXDKO-QPPBQGQZSA-N 3 1 437.588 2.677 20 0 IFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)CC1 ZINC001164975486 722153015 /nfs/dbraw/zinc/15/30/15/722153015.db2.gz TXMBPPPAKSXDKO-QPPBQGQZSA-N 2 1 437.588 2.677 20 0 IFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2)CC1 ZINC001164975486 722153023 /nfs/dbraw/zinc/15/30/23/722153023.db2.gz TXMBPPPAKSXDKO-QPPBQGQZSA-N 2 1 437.588 2.677 20 0 IFADMP