smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(C)c(C)c1C[N@@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000012593896 527627299 /nfs/dbraw/zinc/62/72/99/527627299.db2.gz HVYHOCJGOTWXTH-QHCPKHFHSA-N 2 1 426.605 3.427 50 0 IGAAMP CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000012076495 556397838 /nfs/dbraw/zinc/39/78/38/556397838.db2.gz NYMQFHJEBGCGAI-OAQYLSRUSA-N 3 1 432.628 3.160 50 0 IGAAMP CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000014531262 556420419 /nfs/dbraw/zinc/42/04/19/556420419.db2.gz KZTNRZVHUFYYOV-QFIPXVFZSA-N 2 1 435.616 3.251 50 0 IGAAMP COCC[NH+]1CCC(C[N@@H+](Cc2sc(N(C)C)nc2Cl)C[C@@H]2CCCO2)CC1 ZINC000014968829 556466440 /nfs/dbraw/zinc/46/64/40/556466440.db2.gz IWKQMYDMRFLSHO-KRWDZBQOSA-N 2 1 431.046 3.202 50 0 IGAAMP COCC[NH+]1CCC(C[N@H+](Cc2sc(N(C)C)nc2Cl)C[C@@H]2CCCO2)CC1 ZINC000014968829 556466442 /nfs/dbraw/zinc/46/64/42/556466442.db2.gz IWKQMYDMRFLSHO-KRWDZBQOSA-N 2 1 431.046 3.202 50 0 IGAAMP COc1ccc(CNCC(C)(C)C[NH+](C)C)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000055198045 556737383 /nfs/dbraw/zinc/73/73/83/556737383.db2.gz NAMQDUFKHMWSEQ-HSZRJFAPSA-N 2 1 443.632 3.244 50 0 IGAAMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000055198045 556737386 /nfs/dbraw/zinc/73/73/86/556737386.db2.gz NAMQDUFKHMWSEQ-HSZRJFAPSA-N 3 1 443.632 3.244 50 0 IGAAMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000055198045 556737388 /nfs/dbraw/zinc/73/73/88/556737388.db2.gz NAMQDUFKHMWSEQ-HSZRJFAPSA-N 3 1 443.632 3.244 50 0 IGAAMP CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@@H+](C)Cc3ccc(C)cc3)cc2OC)CC1 ZINC000019606684 556831369 /nfs/dbraw/zinc/83/13/69/556831369.db2.gz JKMCBIGVANZNDQ-XMMPIXPASA-N 2 1 441.616 3.013 50 0 IGAAMP CC(C)n1cc(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)cn1 ZINC000012303822 519947986 /nfs/dbraw/zinc/94/79/86/519947986.db2.gz MIEWHWDIUAOVMJ-UHFFFAOYSA-N 2 1 448.011 3.452 50 0 IGAAMP CCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N(C)CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000004177215 555973817 /nfs/dbraw/zinc/97/38/17/555973817.db2.gz MLILDHGKOQQMFA-NRFANRHFSA-N 2 1 431.621 3.291 50 0 IGAAMP COc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3OC)C2)o1 ZINC000014957728 556462792 /nfs/dbraw/zinc/46/27/92/556462792.db2.gz QZNDLOALTZPYNT-IBGZPJMESA-N 2 1 429.561 3.213 50 0 IGAAMP Cc1cc(C)c(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(-n2cccn2)c1 ZINC000039438332 556628728 /nfs/dbraw/zinc/62/87/28/556628728.db2.gz JSLUZIRDBYYKIH-XMMPIXPASA-N 2 1 439.648 3.231 50 0 IGAAMP COc1ccc(C[N@H+](C)CCn2cc[nH+]c2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011936340 556675815 /nfs/dbraw/zinc/67/58/15/556675815.db2.gz GCQFQRDQDSXDCB-QHCPKHFHSA-N 3 1 444.620 3.338 50 0 IGAAMP COc1ccc(C[N@@H+](C)CCn2cc[nH+]c2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011936340 556675819 /nfs/dbraw/zinc/67/58/19/556675819.db2.gz GCQFQRDQDSXDCB-QHCPKHFHSA-N 3 1 444.620 3.338 50 0 IGAAMP COc1ccc(C[N@@H+](C)CCOc2ccc(C)cc2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000012701468 524004227 /nfs/dbraw/zinc/00/42/27/524004227.db2.gz QNDSKVCCCAUVGL-QFIPXVFZSA-N 2 1 428.573 3.350 50 0 IGAAMP Cc1cc(C)n(-c2cccc(C[N@@H+]3CCN(C4CC[NH+](C(C)C)CC4)[C@H](CCO)C3)c2)n1 ZINC000022853434 524491116 /nfs/dbraw/zinc/49/11/16/524491116.db2.gz XHQMJQJPYIPLCZ-AREMUKBSSA-N 2 1 439.648 3.231 50 0 IGAAMP COc1cc(C[N@H+](C)Cc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000015071492 556496384 /nfs/dbraw/zinc/49/63/84/556496384.db2.gz QNOWXKDPWPNRDU-QFIPXVFZSA-N 2 1 430.593 3.065 50 0 IGAAMP COc1cc(C[N@@H+](C)Cc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000015071492 556496386 /nfs/dbraw/zinc/49/63/86/556496386.db2.gz QNOWXKDPWPNRDU-QFIPXVFZSA-N 2 1 430.593 3.065 50 0 IGAAMP COc1cc(C[NH+](C)Cc2cnn(C)c2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000015071492 556496389 /nfs/dbraw/zinc/49/63/89/556496389.db2.gz QNOWXKDPWPNRDU-QFIPXVFZSA-N 2 1 430.593 3.065 50 0 IGAAMP COc1cc(C[NH+](C)Cc2cnn(C)c2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000015071492 556496392 /nfs/dbraw/zinc/49/63/92/556496392.db2.gz QNOWXKDPWPNRDU-QFIPXVFZSA-N 2 1 430.593 3.065 50 0 IGAAMP COc1cc2c(cc1OC)CN(Cc1coc([O-])c(C[NH+]3CCCCCC3)c1=O)CC2 ZINC000100796308 556675011 /nfs/dbraw/zinc/67/50/11/556675011.db2.gz SNURUUXEFPZVQT-UHFFFAOYSA-N 2 1 428.529 3.297 50 0 IGAAMP O=S(=O)(NCC[N@H+]1CCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000062581825 556685147 /nfs/dbraw/zinc/68/51/47/556685147.db2.gz RWLOYTFXSWNKGM-DEOSSOPVSA-N 2 1 427.614 3.342 50 0 IGAAMP OCC[C@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000019642377 556837950 /nfs/dbraw/zinc/83/79/50/556837950.db2.gz WSHGOYCXHALPAJ-SANMLTNESA-N 2 1 425.592 3.401 50 0 IGAAMP OCC[C@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000019642377 556837952 /nfs/dbraw/zinc/83/79/52/556837952.db2.gz WSHGOYCXHALPAJ-SANMLTNESA-N 2 1 425.592 3.401 50 0 IGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000014975715 557294386 /nfs/dbraw/zinc/29/43/86/557294386.db2.gz BGLNCHCOIDMHPL-RUZDIDTESA-N 2 1 426.649 3.272 50 0 IGAAMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000014975715 557294389 /nfs/dbraw/zinc/29/43/89/557294389.db2.gz BGLNCHCOIDMHPL-RUZDIDTESA-N 3 1 426.649 3.272 50 0 IGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000014975715 557294392 /nfs/dbraw/zinc/29/43/92/557294392.db2.gz BGLNCHCOIDMHPL-RUZDIDTESA-N 3 1 426.649 3.272 50 0 IGAAMP COc1cc(C[N@H+](C)Cc2ccncn2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012747335 522355196 /nfs/dbraw/zinc/35/51/96/522355196.db2.gz AFFAHJNNPPTYBT-QFIPXVFZSA-N 2 1 428.577 3.123 50 0 IGAAMP COc1cc(C[N@@H+](C)Cc2ccncn2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012747335 522355207 /nfs/dbraw/zinc/35/52/07/522355207.db2.gz AFFAHJNNPPTYBT-QFIPXVFZSA-N 2 1 428.577 3.123 50 0 IGAAMP COCC[N@@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)C(C)C ZINC000012305452 523737136 /nfs/dbraw/zinc/73/71/36/523737136.db2.gz NFMLWQUOSSQVMT-UHFFFAOYSA-N 2 1 441.620 3.282 50 0 IGAAMP COc1ccc(C[N@H+](C)Cc2cc(C)no2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012452876 524006732 /nfs/dbraw/zinc/00/67/32/524006732.db2.gz JLWLETNFKQEAKE-JOCHJYFZSA-N 2 1 439.556 3.495 50 0 IGAAMP COc1ccc(C[N@@H+](C)Cc2cc(C)no2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012452876 524006736 /nfs/dbraw/zinc/00/67/36/524006736.db2.gz JLWLETNFKQEAKE-JOCHJYFZSA-N 2 1 439.556 3.495 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2cc(C)no2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012452876 524006744 /nfs/dbraw/zinc/00/67/44/524006744.db2.gz JLWLETNFKQEAKE-JOCHJYFZSA-N 2 1 439.556 3.495 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2cc(C)no2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012452876 524006749 /nfs/dbraw/zinc/00/67/49/524006749.db2.gz JLWLETNFKQEAKE-JOCHJYFZSA-N 2 1 439.556 3.495 50 0 IGAAMP COc1cccc(N2CC[NH+](Cc3cccc(C(=O)NCC[NH+]4CCCCC4)c3)CC2)c1 ZINC000034684826 555820590 /nfs/dbraw/zinc/82/05/90/555820590.db2.gz RRMLTVLPRPQPGU-UHFFFAOYSA-N 2 1 436.600 3.233 50 0 IGAAMP Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000014533244 556422008 /nfs/dbraw/zinc/42/20/08/556422008.db2.gz QMGCEUQQGSDEAE-JOCHJYFZSA-N 2 1 435.616 3.158 50 0 IGAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]Cc2c(OC)cccc2OC)cc1OC ZINC000014976256 556468763 /nfs/dbraw/zinc/46/87/63/556468763.db2.gz VCHQTZNEARYUDF-LJQANCHMSA-N 2 1 432.561 3.084 50 0 IGAAMP CC[NH+]1CCN(c2ncnc3sc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)c(C)c32)CC1 ZINC000033048367 556744752 /nfs/dbraw/zinc/74/47/52/556744752.db2.gz ZKVZPKFXDWXKQO-QGZVFWFLSA-N 2 1 444.649 3.136 50 0 IGAAMP CC[NH+]1CCN(c2ncnc3sc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)c(C)c32)CC1 ZINC000033048366 557323094 /nfs/dbraw/zinc/32/30/94/557323094.db2.gz ZKVZPKFXDWXKQO-KRWDZBQOSA-N 2 1 444.649 3.136 50 0 IGAAMP CC[NH+](CC)CCn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CC[N@@H+](C)C3 ZINC000002201150 562926297 /nfs/dbraw/zinc/92/62/97/562926297.db2.gz IDAAQTJVZHPMND-UHFFFAOYSA-N 2 1 447.004 3.197 50 0 IGAAMP CC[NH+](CC)CCn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CC[N@H+](C)C3 ZINC000002201150 562926298 /nfs/dbraw/zinc/92/62/98/562926298.db2.gz IDAAQTJVZHPMND-UHFFFAOYSA-N 2 1 447.004 3.197 50 0 IGAAMP COc1cc(C[N@@H+](C)CCc2cnn(C)c2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012593810 522352702 /nfs/dbraw/zinc/35/27/02/522352702.db2.gz NLYNMMNNXNJCBE-HSZRJFAPSA-N 2 1 444.620 3.107 50 0 IGAAMP COc1cc(C[NH+](C)CCc2cnn(C)c2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012593810 522352713 /nfs/dbraw/zinc/35/27/13/522352713.db2.gz NLYNMMNNXNJCBE-HSZRJFAPSA-N 2 1 444.620 3.107 50 0 IGAAMP COc1cc(C[NH+](C)CCc2cnn(C)c2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012593810 522352721 /nfs/dbraw/zinc/35/27/21/522352721.db2.gz NLYNMMNNXNJCBE-HSZRJFAPSA-N 2 1 444.620 3.107 50 0 IGAAMP COc1ccc(CNCCC[NH+]2CCCC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012708777 524070325 /nfs/dbraw/zinc/07/03/25/524070325.db2.gz NSBBUMHSJFXOQA-DEOSSOPVSA-N 2 1 441.616 3.142 50 0 IGAAMP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012708777 524070327 /nfs/dbraw/zinc/07/03/27/524070327.db2.gz NSBBUMHSJFXOQA-DEOSSOPVSA-N 3 1 441.616 3.142 50 0 IGAAMP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012708777 524070329 /nfs/dbraw/zinc/07/03/29/524070329.db2.gz NSBBUMHSJFXOQA-DEOSSOPVSA-N 3 1 441.616 3.142 50 0 IGAAMP OCCOc1cccc(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1 ZINC000012281033 527557878 /nfs/dbraw/zinc/55/78/78/527557878.db2.gz NXNMOUBPTJCYBR-NRFANRHFSA-N 2 1 442.629 3.415 50 0 IGAAMP CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c(OC)c1 ZINC000011814535 556357869 /nfs/dbraw/zinc/35/78/69/556357869.db2.gz BZTBPGRTYGODNF-HSZRJFAPSA-N 2 1 444.620 3.455 50 0 IGAAMP CC[NH+](Cc1cnn(C)c1)Cc1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000011814535 556357872 /nfs/dbraw/zinc/35/78/72/556357872.db2.gz BZTBPGRTYGODNF-HSZRJFAPSA-N 2 1 444.620 3.455 50 0 IGAAMP CC[NH+](Cc1cnn(C)c1)Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000011814535 556357874 /nfs/dbraw/zinc/35/78/74/556357874.db2.gz BZTBPGRTYGODNF-HSZRJFAPSA-N 2 1 444.620 3.455 50 0 IGAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)Cc2c(C)noc2C)C1 ZINC000012057336 556394909 /nfs/dbraw/zinc/39/49/09/556394909.db2.gz BRJUXEPPGABYSP-NRFANRHFSA-N 2 1 442.604 3.145 50 0 IGAAMP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](CCc2ccccc2)C1 ZINC000014543594 556426444 /nfs/dbraw/zinc/42/64/44/556426444.db2.gz DTLSCONAGKSLPQ-XZOQPEGZSA-N 2 1 441.591 3.453 50 0 IGAAMP COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Br)c1OCc1cccc(C)c1 ZINC000040720752 556646933 /nfs/dbraw/zinc/64/69/33/556646933.db2.gz IQCIVOSVPWGRBD-UHFFFAOYSA-N 2 1 437.378 3.407 50 0 IGAAMP COc1cc(C[N@H+]2CCc3ccccc3C2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000015073213 568635625 /nfs/dbraw/zinc/63/56/25/568635625.db2.gz UGGJENCULARKJM-JOCHJYFZSA-N 2 1 428.598 3.042 50 0 IGAAMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)CC1 ZINC000012807859 521667950 /nfs/dbraw/zinc/66/79/50/521667950.db2.gz XCSFFLLHUJGLPE-CVDCTZTESA-N 2 1 434.584 3.451 50 0 IGAAMP COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000012190253 522031817 /nfs/dbraw/zinc/03/18/17/522031817.db2.gz PSASREPBRQSTCB-YTFSRNRJSA-N 2 1 427.589 3.208 50 0 IGAAMP COCc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)o1 ZINC000012454483 522972082 /nfs/dbraw/zinc/97/20/82/522972082.db2.gz NFWITHQRSSJDRN-UHFFFAOYSA-N 2 1 449.979 3.414 50 0 IGAAMP COc1ccc(C[N@@H+](C)Cc2sccc2C)cc1OC[C@H](O)CN1CCC[NH+](C)CC1 ZINC000020535793 524007837 /nfs/dbraw/zinc/00/78/37/524007837.db2.gz BCWHGBMVXSMUHI-OAQYLSRUSA-N 2 1 447.645 3.074 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2sccc2C)cc1OC[C@H](O)CN1CCC[N@H+](C)CC1 ZINC000020535793 524007838 /nfs/dbraw/zinc/00/78/38/524007838.db2.gz BCWHGBMVXSMUHI-OAQYLSRUSA-N 2 1 447.645 3.074 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2sccc2C)cc1OC[C@H](O)CN1CCC[N@@H+](C)CC1 ZINC000020535793 524007842 /nfs/dbraw/zinc/00/78/42/524007842.db2.gz BCWHGBMVXSMUHI-OAQYLSRUSA-N 2 1 447.645 3.074 50 0 IGAAMP COc1ccc(C[N@H+](C)Cc2sccc2C)cc1OC[C@H](O)C[NH+]1CCCN(C)CC1 ZINC000020535793 524007846 /nfs/dbraw/zinc/00/78/46/524007846.db2.gz BCWHGBMVXSMUHI-OAQYLSRUSA-N 2 1 447.645 3.074 50 0 IGAAMP COc1ccc(C[N@@H+](C)Cc2sccc2C)cc1OC[C@H](O)C[NH+]1CCCN(C)CC1 ZINC000020535793 524007850 /nfs/dbraw/zinc/00/78/50/524007850.db2.gz BCWHGBMVXSMUHI-OAQYLSRUSA-N 2 1 447.645 3.074 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2sccc2C)cc1OC[C@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000020535793 524007854 /nfs/dbraw/zinc/00/78/54/524007854.db2.gz BCWHGBMVXSMUHI-OAQYLSRUSA-N 2 1 447.645 3.074 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2sccc2C)cc1OC[C@H](O)C[N@H+]1CCCN(C)CC1 ZINC000020535793 524007859 /nfs/dbraw/zinc/00/78/59/524007859.db2.gz BCWHGBMVXSMUHI-OAQYLSRUSA-N 2 1 447.645 3.074 50 0 IGAAMP COc1ccc(CNCCC[NH+]2CCCC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012708788 524070298 /nfs/dbraw/zinc/07/02/98/524070298.db2.gz NSBBUMHSJFXOQA-XMMPIXPASA-N 2 1 441.616 3.142 50 0 IGAAMP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012708788 524070300 /nfs/dbraw/zinc/07/03/00/524070300.db2.gz NSBBUMHSJFXOQA-XMMPIXPASA-N 3 1 441.616 3.142 50 0 IGAAMP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012708788 524070302 /nfs/dbraw/zinc/07/03/02/524070302.db2.gz NSBBUMHSJFXOQA-XMMPIXPASA-N 3 1 441.616 3.142 50 0 IGAAMP COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Br)c1OCc1ccccc1C ZINC000040720754 556646898 /nfs/dbraw/zinc/64/68/98/556646898.db2.gz XXHUUKYBILUIIB-UHFFFAOYSA-N 2 1 437.378 3.407 50 0 IGAAMP COc1cc(CN2CC[NH+](C(C)C)CC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000023359732 557087357 /nfs/dbraw/zinc/08/73/57/557087357.db2.gz DAWBVHNUWNOIIQ-HSZRJFAPSA-N 2 1 433.637 3.225 50 0 IGAAMP COc1cc(CN2CC[NH+](C(C)C)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000023359728 557087441 /nfs/dbraw/zinc/08/74/41/557087441.db2.gz DAWBVHNUWNOIIQ-QHCPKHFHSA-N 2 1 433.637 3.225 50 0 IGAAMP C[N@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2cccn2-c2ccc(Cl)cn2)CC3)CC1 ZINC000299787856 568757531 /nfs/dbraw/zinc/75/75/31/568757531.db2.gz YFJVTHOUHCCGPT-OAQYLSRUSA-N 2 1 442.007 3.292 50 0 IGAAMP CCCc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)n(C)n1 ZINC000012713085 521351128 /nfs/dbraw/zinc/35/11/28/521351128.db2.gz NBEVOWPYFDXGSA-FQEVSTJZSA-N 2 1 443.611 3.428 50 0 IGAAMP CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)CN2CCC[NH+](C)CC2)c1 ZINC000020449253 521371646 /nfs/dbraw/zinc/37/16/46/521371646.db2.gz JDUYGPYWTWAFRF-DEOSSOPVSA-N 2 1 441.616 3.095 50 0 IGAAMP CC[NH+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)CN2CCC[N@H+](C)CC2)c1 ZINC000020449253 521371653 /nfs/dbraw/zinc/37/16/53/521371653.db2.gz JDUYGPYWTWAFRF-DEOSSOPVSA-N 2 1 441.616 3.095 50 0 IGAAMP CC[NH+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)CN2CCC[N@@H+](C)CC2)c1 ZINC000020449253 521371659 /nfs/dbraw/zinc/37/16/59/521371659.db2.gz JDUYGPYWTWAFRF-DEOSSOPVSA-N 2 1 441.616 3.095 50 0 IGAAMP CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCN(C)CC2)c1 ZINC000020449253 521371668 /nfs/dbraw/zinc/37/16/68/521371668.db2.gz JDUYGPYWTWAFRF-DEOSSOPVSA-N 2 1 441.616 3.095 50 0 IGAAMP CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCN(C)CC2)c1 ZINC000020449253 521371675 /nfs/dbraw/zinc/37/16/75/521371675.db2.gz JDUYGPYWTWAFRF-DEOSSOPVSA-N 2 1 441.616 3.095 50 0 IGAAMP CC[NH+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+]2CCCN(C)CC2)c1 ZINC000020449253 521371683 /nfs/dbraw/zinc/37/16/83/521371683.db2.gz JDUYGPYWTWAFRF-DEOSSOPVSA-N 2 1 441.616 3.095 50 0 IGAAMP CC[NH+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)C[N@H+]2CCCN(C)CC2)c1 ZINC000020449253 521371692 /nfs/dbraw/zinc/37/16/92/521371692.db2.gz JDUYGPYWTWAFRF-DEOSSOPVSA-N 2 1 441.616 3.095 50 0 IGAAMP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(F)cc3)c2)CC1 ZINC000012714297 522914910 /nfs/dbraw/zinc/91/49/10/522914910.db2.gz AJSJSYLTWHYMPH-QHCPKHFHSA-N 2 1 444.547 3.082 50 0 IGAAMP COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Br)c1OCc1ccc(F)cc1 ZINC000013732926 556296536 /nfs/dbraw/zinc/29/65/36/556296536.db2.gz NMBYXEPVUOFYCK-UHFFFAOYSA-N 2 1 441.341 3.237 50 0 IGAAMP Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@@H+](C)CCCC[NH+]1CCOCC1 ZINC000011819507 556361522 /nfs/dbraw/zinc/36/15/22/556361522.db2.gz DRSUYDCZNDQPNR-UHFFFAOYSA-N 2 1 441.620 3.203 50 0 IGAAMP COc1cc(C[N@@H+](C)CCc2cn[nH]c2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012075364 556397592 /nfs/dbraw/zinc/39/75/92/556397592.db2.gz BUCIZGPABLBYMQ-QFIPXVFZSA-N 2 1 430.593 3.097 50 0 IGAAMP COc1cc(C[NH+](C)CCc2cn[nH]c2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012075364 556397593 /nfs/dbraw/zinc/39/75/93/556397593.db2.gz BUCIZGPABLBYMQ-QFIPXVFZSA-N 2 1 430.593 3.097 50 0 IGAAMP COc1cc(C[NH+](C)CCc2cn[nH]c2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012075364 556397595 /nfs/dbraw/zinc/39/75/95/556397595.db2.gz BUCIZGPABLBYMQ-QFIPXVFZSA-N 2 1 430.593 3.097 50 0 IGAAMP COc1cc(C[NH2+]CCc2cscn2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000014958317 556462979 /nfs/dbraw/zinc/46/29/79/556462979.db2.gz CRPWSSWAVMRXGO-NRFANRHFSA-N 2 1 433.618 3.488 50 0 IGAAMP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(C(C)=O)s1 ZINC000015061944 556490513 /nfs/dbraw/zinc/49/05/13/556490513.db2.gz ZMZGRCWMEUVEKV-FQEVSTJZSA-N 2 1 435.634 3.236 50 0 IGAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(C(C)=O)s1 ZINC000015061944 556490517 /nfs/dbraw/zinc/49/05/17/556490517.db2.gz ZMZGRCWMEUVEKV-FQEVSTJZSA-N 2 1 435.634 3.236 50 0 IGAAMP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000055109068 556734956 /nfs/dbraw/zinc/73/49/56/556734956.db2.gz HARNPZNMGABZOU-QFIPXVFZSA-N 3 1 435.653 3.378 50 0 IGAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000058198084 556770847 /nfs/dbraw/zinc/77/08/47/556770847.db2.gz URZZORBAVXRMRV-HNNXBMFYSA-N 2 1 441.947 3.395 50 0 IGAAMP CC[N@@H+](CCn1cccn1)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCCC2)c(OC)c1 ZINC000015076547 568636085 /nfs/dbraw/zinc/63/60/85/568636085.db2.gz MMQQIUGHALMLKQ-QHCPKHFHSA-N 2 1 444.620 3.420 50 0 IGAAMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065256033 569123185 /nfs/dbraw/zinc/12/31/85/569123185.db2.gz ZZGDMZPJGAAPRT-RUZDIDTESA-N 2 1 441.579 3.021 50 0 IGAAMP CC[NH+]1CCN(CC(=O)N(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000022851592 521673451 /nfs/dbraw/zinc/67/34/51/521673451.db2.gz OKZVOLOOZFOGIE-DEOSSOPVSA-N 2 1 441.664 3.092 50 0 IGAAMP COc1ccc(C[N@@H+](C)Cc2sccc2C)cc1OC[C@@H](O)CN1CCC[NH+](C)CC1 ZINC000020535790 524008213 /nfs/dbraw/zinc/00/82/13/524008213.db2.gz BCWHGBMVXSMUHI-NRFANRHFSA-N 2 1 447.645 3.074 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2sccc2C)cc1OC[C@@H](O)CN1CCC[N@H+](C)CC1 ZINC000020535790 524008219 /nfs/dbraw/zinc/00/82/19/524008219.db2.gz BCWHGBMVXSMUHI-NRFANRHFSA-N 2 1 447.645 3.074 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2sccc2C)cc1OC[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000020535790 524008224 /nfs/dbraw/zinc/00/82/24/524008224.db2.gz BCWHGBMVXSMUHI-NRFANRHFSA-N 2 1 447.645 3.074 50 0 IGAAMP COc1ccc(C[N@H+](C)Cc2sccc2C)cc1OC[C@@H](O)C[NH+]1CCCN(C)CC1 ZINC000020535790 524008229 /nfs/dbraw/zinc/00/82/29/524008229.db2.gz BCWHGBMVXSMUHI-NRFANRHFSA-N 2 1 447.645 3.074 50 0 IGAAMP COc1ccc(C[N@@H+](C)Cc2sccc2C)cc1OC[C@@H](O)C[NH+]1CCCN(C)CC1 ZINC000020535790 524008236 /nfs/dbraw/zinc/00/82/36/524008236.db2.gz BCWHGBMVXSMUHI-NRFANRHFSA-N 2 1 447.645 3.074 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2sccc2C)cc1OC[C@@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000020535790 524008243 /nfs/dbraw/zinc/00/82/43/524008243.db2.gz BCWHGBMVXSMUHI-NRFANRHFSA-N 2 1 447.645 3.074 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2sccc2C)cc1OC[C@@H](O)C[N@H+]1CCCN(C)CC1 ZINC000020535790 524008247 /nfs/dbraw/zinc/00/82/47/524008247.db2.gz BCWHGBMVXSMUHI-NRFANRHFSA-N 2 1 447.645 3.074 50 0 IGAAMP Cc1cc(C)n(CCC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000012477721 524515707 /nfs/dbraw/zinc/51/57/07/524515707.db2.gz CYHFQIBFNIRGFI-JOCHJYFZSA-N 2 1 443.611 3.332 50 0 IGAAMP O=C(Nc1ccnn1C1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1)[C@H]1CCOC1 ZINC000012210638 527459209 /nfs/dbraw/zinc/45/92/09/527459209.db2.gz KZQRVMMNPOLWEW-NRFANRHFSA-N 2 1 437.588 3.160 50 0 IGAAMP CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000012076497 556397996 /nfs/dbraw/zinc/39/79/96/556397996.db2.gz NYMQFHJEBGCGAI-NRFANRHFSA-N 3 1 432.628 3.160 50 0 IGAAMP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055061065 556733650 /nfs/dbraw/zinc/73/36/50/556733650.db2.gz CAOBXIRMXXWLML-FQEVSTJZSA-N 2 1 426.527 3.160 50 0 IGAAMP COc1ccc(C[NH2+]CC2CCOCC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012050652 557525436 /nfs/dbraw/zinc/52/54/36/557525436.db2.gz YSHOBFJJOJRYNS-HSZRJFAPSA-N 2 1 428.573 3.083 50 0 IGAAMP CCN1CCC[C@@H]1C[N@H+](Cc1ccc(C(=O)OC)cc1)CC1CC[NH+](CCOC)CC1 ZINC000020910694 521632827 /nfs/dbraw/zinc/63/28/27/521632827.db2.gz BWGGUJCVTBFTIG-XMMPIXPASA-N 2 1 431.621 3.118 50 0 IGAAMP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(C(=O)OC)cc1)CC1CC[NH+](CCOC)CC1 ZINC000020910694 521632830 /nfs/dbraw/zinc/63/28/30/521632830.db2.gz BWGGUJCVTBFTIG-XMMPIXPASA-N 2 1 431.621 3.118 50 0 IGAAMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(C(=O)OC)cc1)CC1CC[NH+](CCOC)CC1 ZINC000020910694 521632832 /nfs/dbraw/zinc/63/28/32/521632832.db2.gz BWGGUJCVTBFTIG-XMMPIXPASA-N 2 1 431.621 3.118 50 0 IGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000012711354 521634582 /nfs/dbraw/zinc/63/45/82/521634582.db2.gz KPLXEHJPIYKXCK-HXUWFJFHSA-N 2 1 431.577 3.017 50 0 IGAAMP CSc1cccc(C[NH2+]Cc2c(C(=O)N3CCC[N@@H+](C)CC3)nc3sccn23)c1 ZINC000019939505 556953354 /nfs/dbraw/zinc/95/33/54/556953354.db2.gz WZZUKQHMQQEYER-UHFFFAOYSA-N 2 1 429.615 3.185 50 0 IGAAMP COCCNC(=O)c1ccc(OC2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c(Cl)c1 ZINC000020208034 556998372 /nfs/dbraw/zinc/99/83/72/556998372.db2.gz UZXLVYNPBVTYKQ-UHFFFAOYSA-N 2 1 438.012 3.432 50 0 IGAAMP CC[NH+](CC)CCN(C)Cc1ccc(OC)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000023359101 557087381 /nfs/dbraw/zinc/08/73/81/557087381.db2.gz OGEIYOQQBBHYAS-XMMPIXPASA-N 2 1 443.632 3.341 50 0 IGAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([N@@H+]4CCOc5ccccc5C4)CC3)cc2)CC1 ZINC000299799840 568757899 /nfs/dbraw/zinc/75/78/99/568757899.db2.gz UFWPAGMIBRFVKY-UHFFFAOYSA-N 2 1 448.611 3.328 50 0 IGAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([N@H+]4CCOc5ccccc5C4)CC3)cc2)CC1 ZINC000299799840 568757901 /nfs/dbraw/zinc/75/79/01/568757901.db2.gz UFWPAGMIBRFVKY-UHFFFAOYSA-N 2 1 448.611 3.328 50 0 IGAAMP C[NH+]1CCN([C@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)c2cccs2)CC1 ZINC000040160708 569495140 /nfs/dbraw/zinc/49/51/40/569495140.db2.gz FQUXFRYQPPJGLR-MDNUFGMLSA-N 2 1 429.630 3.081 50 0 IGAAMP COc1cc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc(OC)c1OC ZINC000012112308 522378968 /nfs/dbraw/zinc/37/89/68/522378968.db2.gz VYNORNWFEXOOBM-LJQANCHMSA-N 2 1 447.620 3.257 50 0 IGAAMP O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012279396 526994127 /nfs/dbraw/zinc/99/41/27/526994127.db2.gz SRRODPDCOZNMTK-DHIUTWEWSA-N 2 1 425.548 3.450 50 0 IGAAMP CC[N@@H+](C)C[C@H]1CCN(CC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000072305283 556553271 /nfs/dbraw/zinc/55/32/71/556553271.db2.gz RFNSNIJEWGEXIC-JOCHJYFZSA-N 2 1 425.573 3.164 50 0 IGAAMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000058198082 556770820 /nfs/dbraw/zinc/77/08/20/556770820.db2.gz URZZORBAVXRMRV-OAHLLOKOSA-N 2 1 441.947 3.395 50 0 IGAAMP CSc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](CCc4ccccc4)CC3)[C@H](O)C2)c1 ZINC000023374461 568613634 /nfs/dbraw/zinc/61/36/34/568613634.db2.gz RIQKUUCVEDMJGM-JWQCQUIFSA-N 2 1 425.642 3.204 50 0 IGAAMP Cc1noc(C)c1C[N@@H+](C)CCC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000095456845 569368902 /nfs/dbraw/zinc/36/89/02/569368902.db2.gz HZXQWKWFIINKKP-UHFFFAOYSA-N 2 1 425.577 3.284 50 0 IGAAMP COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000012190252 522029831 /nfs/dbraw/zinc/02/98/31/522029831.db2.gz PSASREPBRQSTCB-RJGXRXQPSA-N 2 1 427.589 3.208 50 0 IGAAMP COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012467233 524069769 /nfs/dbraw/zinc/06/97/69/524069769.db2.gz ADTSETPBKLTFOU-QHCPKHFHSA-N 2 1 442.600 3.352 50 0 IGAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cc(C3CC3)on2)C1 ZINC000012582017 524448489 /nfs/dbraw/zinc/44/84/89/524448489.db2.gz UDFIPXDFFNITTP-IBGZPJMESA-N 2 1 440.588 3.477 50 0 IGAAMP COC(=O)C1CC[NH+](Cc2ccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c(OC)c2)CC1 ZINC000011874398 556370686 /nfs/dbraw/zinc/37/06/86/556370686.db2.gz SUEQEBLCCOWLAJ-QFIPXVFZSA-N 2 1 448.604 3.084 50 0 IGAAMP CC(=O)N1CCC([N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)CC1 ZINC000011933992 556377221 /nfs/dbraw/zinc/37/72/21/556377221.db2.gz RUFCTCGOIPSUNP-HHHXNRCGSA-N 2 1 439.644 3.358 50 0 IGAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cnn(C(C)C)c2)C1 ZINC000011844543 556660579 /nfs/dbraw/zinc/66/05/79/556660579.db2.gz DQCJFXVUMCCEJJ-NRFANRHFSA-N 2 1 441.620 3.389 50 0 IGAAMP Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000020351447 557009036 /nfs/dbraw/zinc/00/90/36/557009036.db2.gz NOESCTQIRDAMOK-DEOSSOPVSA-N 2 1 439.648 3.435 50 0 IGAAMP CCCCNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000023352482 557086350 /nfs/dbraw/zinc/08/63/50/557086350.db2.gz CJEWKNASVYYWHG-ZEQKJWHPSA-N 2 1 436.644 3.442 50 0 IGAAMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000253602921 568644080 /nfs/dbraw/zinc/64/40/80/568644080.db2.gz GVWPKKPYEKPYCT-RTBURBONSA-N 2 1 435.547 3.197 50 0 IGAAMP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000253602918 568644120 /nfs/dbraw/zinc/64/41/20/568644120.db2.gz GVWPKKPYEKPYCT-OALUTQOASA-N 2 1 435.547 3.197 50 0 IGAAMP C[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]Cc3cccc(Br)c3)s2)CC1 ZINC000009265781 569175533 /nfs/dbraw/zinc/17/55/33/569175533.db2.gz BZBNYPKHMHXLJV-UHFFFAOYSA-N 2 1 447.406 3.133 50 0 IGAAMP COCCOC1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000012438759 523975708 /nfs/dbraw/zinc/97/57/08/523975708.db2.gz MFRIZSKELAVEGP-QHCPKHFHSA-N 2 1 434.621 3.318 50 0 IGAAMP C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035422025 526249587 /nfs/dbraw/zinc/24/95/87/526249587.db2.gz RRJZGEADWYVAHD-NRFANRHFSA-N 2 1 442.648 3.123 50 0 IGAAMP O=C(CCC1CC[NH+](Cc2ccc(CO)o2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012373120 526407803 /nfs/dbraw/zinc/40/78/03/526407803.db2.gz LMVGFXPRHPCGHN-JOCHJYFZSA-N 2 1 425.573 3.155 50 0 IGAAMP COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Br)c1OCc1ccc(C)cc1 ZINC000013733209 556296738 /nfs/dbraw/zinc/29/67/38/556296738.db2.gz CKLJXSVBLMDOQS-UHFFFAOYSA-N 2 1 437.378 3.407 50 0 IGAAMP COC(=O)C1CC[NH+](Cc2ccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c(OC)c2)CC1 ZINC000011874399 556370766 /nfs/dbraw/zinc/37/07/66/556370766.db2.gz SUEQEBLCCOWLAJ-JOCHJYFZSA-N 2 1 448.604 3.084 50 0 IGAAMP CCOc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040720862 556646917 /nfs/dbraw/zinc/64/69/17/556646917.db2.gz BIPUPWUUMYHRMD-UHFFFAOYSA-N 2 1 449.979 3.126 50 0 IGAAMP CC[NH+]1CCC[C@H]1CNC(=O)Nc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC)ccc1C ZINC000011004715 557239277 /nfs/dbraw/zinc/23/92/77/557239277.db2.gz GUAXYQVCTDOJIN-PMACEKPBSA-N 2 1 430.597 3.207 50 0 IGAAMP CC[NH+]1CCC[C@H]1CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000011004715 557239280 /nfs/dbraw/zinc/23/92/80/557239280.db2.gz GUAXYQVCTDOJIN-PMACEKPBSA-N 2 1 430.597 3.207 50 0 IGAAMP CC[NH+]1CCC[C@H]1CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000011004715 557239284 /nfs/dbraw/zinc/23/92/84/557239284.db2.gz GUAXYQVCTDOJIN-PMACEKPBSA-N 2 1 430.597 3.207 50 0 IGAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000012314770 562981143 /nfs/dbraw/zinc/98/11/43/562981143.db2.gz VBDXXWFJXUCULH-VWLOTQADSA-N 3 1 425.617 3.380 50 0 IGAAMP C[N@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH+](Cc2cccn2-c2ccc(Cl)cn2)CC3)CC1 ZINC000299787853 568757414 /nfs/dbraw/zinc/75/74/14/568757414.db2.gz YFJVTHOUHCCGPT-NRFANRHFSA-N 2 1 442.007 3.292 50 0 IGAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)CC1 ZINC000036385752 568905700 /nfs/dbraw/zinc/90/57/00/568905700.db2.gz VEKIIDFLXAIXRA-HSZRJFAPSA-N 2 1 439.604 3.010 50 0 IGAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)CC1 ZINC000036385752 568905702 /nfs/dbraw/zinc/90/57/02/568905702.db2.gz VEKIIDFLXAIXRA-HSZRJFAPSA-N 2 1 439.604 3.010 50 0 IGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)Nc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC)ccc1C ZINC000240551462 568911877 /nfs/dbraw/zinc/91/18/77/568911877.db2.gz GUAXYQVCTDOJIN-WOJBJXKFSA-N 2 1 430.597 3.207 50 0 IGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000240551462 568911878 /nfs/dbraw/zinc/91/18/78/568911878.db2.gz GUAXYQVCTDOJIN-WOJBJXKFSA-N 2 1 430.597 3.207 50 0 IGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)Nc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC)ccc1C ZINC000240551461 568911958 /nfs/dbraw/zinc/91/19/58/568911958.db2.gz GUAXYQVCTDOJIN-VQTJNVASSA-N 2 1 430.597 3.207 50 0 IGAAMP CC[NH+]1CCC[C@H]1CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000240551461 568911960 /nfs/dbraw/zinc/91/19/60/568911960.db2.gz GUAXYQVCTDOJIN-VQTJNVASSA-N 2 1 430.597 3.207 50 0 IGAAMP COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCCC1)C2 ZINC000039532079 569481639 /nfs/dbraw/zinc/48/16/39/569481639.db2.gz YVDJFEVOOQFHED-MBSDFSHPSA-N 2 1 441.547 3.371 50 0 IGAAMP C[N@H+](Cc1ccccc1NC(=O)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)C1CCCCC1 ZINC000069653024 569511530 /nfs/dbraw/zinc/51/15/30/569511530.db2.gz RORZEEXYXKYXAP-ZJSXRUAMSA-N 2 1 444.620 3.310 50 0 IGAAMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)C1CCCCC1 ZINC000069653024 569511531 /nfs/dbraw/zinc/51/15/31/569511531.db2.gz RORZEEXYXKYXAP-ZJSXRUAMSA-N 2 1 444.620 3.310 50 0 IGAAMP CCc1ccc(C[N@@H+](C)Cc2cc(OC)ccc2OC[C@H](O)C[NH+]2CCC(O)CC2)cc1 ZINC000011705647 556347757 /nfs/dbraw/zinc/34/77/57/556347757.db2.gz HTBNOURCSUTMEA-XMMPIXPASA-N 2 1 442.600 3.086 50 0 IGAAMP CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000014531263 556420435 /nfs/dbraw/zinc/42/04/35/556420435.db2.gz KZTNRZVHUFYYOV-JOCHJYFZSA-N 2 1 435.616 3.251 50 0 IGAAMP COCC[NH+]1CCC(C[N@@H+](Cc2sc(N(C)C)nc2Cl)C[C@H]2CCCO2)CC1 ZINC000014968833 556466427 /nfs/dbraw/zinc/46/64/27/556466427.db2.gz IWKQMYDMRFLSHO-QGZVFWFLSA-N 2 1 431.046 3.202 50 0 IGAAMP COCC[NH+]1CCC(C[N@H+](Cc2sc(N(C)C)nc2Cl)C[C@H]2CCCO2)CC1 ZINC000014968833 556466430 /nfs/dbraw/zinc/46/64/30/556466430.db2.gz IWKQMYDMRFLSHO-QGZVFWFLSA-N 2 1 431.046 3.202 50 0 IGAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cnc(N4CCOCC4)s3)CC2)cc1 ZINC000015064125 556491645 /nfs/dbraw/zinc/49/16/45/556491645.db2.gz KQCFKXYJJOSSAM-UHFFFAOYSA-N 2 1 444.645 3.375 50 0 IGAAMP COc1ccc(CNCC(C)(C)C[NH+](C)C)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000055198051 556737167 /nfs/dbraw/zinc/73/71/67/556737167.db2.gz NAMQDUFKHMWSEQ-QHCPKHFHSA-N 2 1 443.632 3.244 50 0 IGAAMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000055198051 556737170 /nfs/dbraw/zinc/73/71/70/556737170.db2.gz NAMQDUFKHMWSEQ-QHCPKHFHSA-N 3 1 443.632 3.244 50 0 IGAAMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000055198051 556737177 /nfs/dbraw/zinc/73/71/77/556737177.db2.gz NAMQDUFKHMWSEQ-QHCPKHFHSA-N 3 1 443.632 3.244 50 0 IGAAMP COc1ccc(C[N@H+](C)Cc2cn(C)nc2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000015066180 568635157 /nfs/dbraw/zinc/63/51/57/568635157.db2.gz ZCKPIYGIYKCAQX-HSZRJFAPSA-N 2 1 444.620 3.375 50 0 IGAAMP COc1ccc(C[N@@H+](C)Cc2cn(C)nc2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000015066180 568635161 /nfs/dbraw/zinc/63/51/61/568635161.db2.gz ZCKPIYGIYKCAQX-HSZRJFAPSA-N 2 1 444.620 3.375 50 0 IGAAMP C[N@H+](Cc1ccccc1NC(=O)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)C1CCCCC1 ZINC000069653021 569511509 /nfs/dbraw/zinc/51/15/09/569511509.db2.gz RORZEEXYXKYXAP-QPPBQGQZSA-N 2 1 444.620 3.310 50 0 IGAAMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)C1CCCCC1 ZINC000069653021 569511510 /nfs/dbraw/zinc/51/15/10/569511510.db2.gz RORZEEXYXKYXAP-QPPBQGQZSA-N 2 1 444.620 3.310 50 0 IGAAMP CC[NH+]1CCN(CC(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000022851590 521672896 /nfs/dbraw/zinc/67/28/96/521672896.db2.gz OKZVOLOOZFOGIE-XMMPIXPASA-N 2 1 441.664 3.092 50 0 IGAAMP COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(F)cc3)c2)CC1 ZINC000012714293 522916284 /nfs/dbraw/zinc/91/62/84/522916284.db2.gz AJSJSYLTWHYMPH-HSZRJFAPSA-N 2 1 444.547 3.082 50 0 IGAAMP COc1ccc(OC)c(C[NH2+]Cc2ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c(OC)c2)c1 ZINC000012611984 524836114 /nfs/dbraw/zinc/83/61/14/524836114.db2.gz UVRGEQWTPVCRSJ-FQEVSTJZSA-N 2 1 432.561 3.082 50 0 IGAAMP CN1CCC([NH+]2CCC(C[N@@H+](Cc3ccncc3)Cc3cccc4nonc43)CC2)CC1 ZINC000011821240 556362786 /nfs/dbraw/zinc/36/27/86/556362786.db2.gz YZIYEDDIVNSTBM-UHFFFAOYSA-N 2 1 434.588 3.426 50 0 IGAAMP Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000014533243 556421903 /nfs/dbraw/zinc/42/19/03/556421903.db2.gz QMGCEUQQGSDEAE-QFIPXVFZSA-N 2 1 435.616 3.158 50 0 IGAAMP O=S(=O)(NCC[N@H+]1CCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000062581830 556685178 /nfs/dbraw/zinc/68/51/78/556685178.db2.gz RWLOYTFXSWNKGM-XMMPIXPASA-N 2 1 427.614 3.342 50 0 IGAAMP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C(F)(F)F)CC2)c1 ZINC000252584425 556691935 /nfs/dbraw/zinc/69/19/35/556691935.db2.gz AJNNWLJFALCNSV-WOJBJXKFSA-N 2 1 448.489 3.049 50 0 IGAAMP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C(F)(F)F)CC2)c1 ZINC000252584424 569191155 /nfs/dbraw/zinc/19/11/55/569191155.db2.gz AJNNWLJFALCNSV-VQTJNVASSA-N 2 1 448.489 3.049 50 0 IGAAMP CC(C)[N@H+]1C[C@H](Sc2ccc(F)cc2)C[C@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)CC1 ZINC000012278918 519697559 /nfs/dbraw/zinc/69/75/59/519697559.db2.gz ONBIFDVKCIKEMF-PKTZIBPZSA-N 2 1 448.652 3.008 50 0 IGAAMP CCN1CCC[C@H]1C[N@H+](Cc1ccc(C(=O)OC)cc1)CC1CC[NH+](CCOC)CC1 ZINC000020910698 521653531 /nfs/dbraw/zinc/65/35/31/521653531.db2.gz BWGGUJCVTBFTIG-DEOSSOPVSA-N 2 1 431.621 3.118 50 0 IGAAMP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(C(=O)OC)cc1)CC1CC[NH+](CCOC)CC1 ZINC000020910698 521653533 /nfs/dbraw/zinc/65/35/33/521653533.db2.gz BWGGUJCVTBFTIG-DEOSSOPVSA-N 2 1 431.621 3.118 50 0 IGAAMP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(C(=O)OC)cc1)CC1CC[NH+](CCOC)CC1 ZINC000020910698 521653536 /nfs/dbraw/zinc/65/35/36/521653536.db2.gz BWGGUJCVTBFTIG-DEOSSOPVSA-N 2 1 431.621 3.118 50 0 IGAAMP CCc1nc(C)c(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)[nH]1 ZINC000012317490 522202591 /nfs/dbraw/zinc/20/25/91/522202591.db2.gz AAERKUCTUMAOFQ-UHFFFAOYSA-N 2 1 448.011 3.269 50 0 IGAAMP COc1cc(C[N@H+](C)Cc2cn(C)nc2C)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012595154 522354070 /nfs/dbraw/zinc/35/40/70/522354070.db2.gz WKHVKHPPQHZWPR-QHCPKHFHSA-N 2 1 444.620 3.373 50 0 IGAAMP COc1cc(C[N@@H+](C)Cc2cn(C)nc2C)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012595154 522354081 /nfs/dbraw/zinc/35/40/81/522354081.db2.gz WKHVKHPPQHZWPR-QHCPKHFHSA-N 2 1 444.620 3.373 50 0 IGAAMP COc1cc(C[NH+](C)Cc2cn(C)nc2C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012595154 522354092 /nfs/dbraw/zinc/35/40/92/522354092.db2.gz WKHVKHPPQHZWPR-QHCPKHFHSA-N 2 1 444.620 3.373 50 0 IGAAMP COc1cc(C[NH+](C)Cc2cn(C)nc2C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012595154 522354101 /nfs/dbraw/zinc/35/41/01/522354101.db2.gz WKHVKHPPQHZWPR-QHCPKHFHSA-N 2 1 444.620 3.373 50 0 IGAAMP COc1cc(C[NH2+]CCCn2ncc3ccccc32)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012477045 522450617 /nfs/dbraw/zinc/45/06/17/522450617.db2.gz PBDZFFFJQGWKQD-QFIPXVFZSA-N 2 1 440.588 3.305 50 0 IGAAMP COc1ccc(C[NH2+]CCc2ccccn2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012192835 524071243 /nfs/dbraw/zinc/07/12/43/524071243.db2.gz FMOOTGIWEJFWIR-DEOSSOPVSA-N 2 1 435.568 3.294 50 0 IGAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C(=O)c2ccccc2)C1 ZINC000012442920 524449477 /nfs/dbraw/zinc/44/94/77/524449477.db2.gz UGPLNUPTUWSFIN-OAQYLSRUSA-N 2 1 437.584 3.180 50 0 IGAAMP OCCOc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1 ZINC000012197460 527558633 /nfs/dbraw/zinc/55/86/33/527558633.db2.gz BGYXIDSLXSUJKM-OAQYLSRUSA-N 2 1 442.629 3.415 50 0 IGAAMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N(C)CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000004177219 555973720 /nfs/dbraw/zinc/97/37/20/555973720.db2.gz MLILDHGKOQQMFA-OAQYLSRUSA-N 2 1 431.621 3.291 50 0 IGAAMP CCOC(=O)C1CC[NH+](Cc2ccccc2OC[C@@H](O)C[N@@H+](C)C2CCCCC2)CC1 ZINC000011770360 556350230 /nfs/dbraw/zinc/35/02/30/556350230.db2.gz LJXWKRWFCPDBHV-QHCPKHFHSA-N 2 1 432.605 3.466 50 0 IGAAMP C[C@H](Cc1ccc(O)cc1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000011817668 556360008 /nfs/dbraw/zinc/36/00/08/556360008.db2.gz HCEQSUJHFUAORF-HXUWFJFHSA-N 2 1 436.600 3.211 50 0 IGAAMP C[C@@H](Cc1ccc(O)cc1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000011817667 556360035 /nfs/dbraw/zinc/36/00/35/556360035.db2.gz HCEQSUJHFUAORF-FQEVSTJZSA-N 2 1 436.600 3.211 50 0 IGAAMP C[NH+](C[C@@H](O)COc1ccccc1C[N@@H+](C)CCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000011874229 556370209 /nfs/dbraw/zinc/37/02/09/556370209.db2.gz ZCWDNQDGPNBYIZ-RUZDIDTESA-N 3 1 447.664 3.235 50 0 IGAAMP C[NH+](CCCC[NH+]1CCOCC1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011874229 556370213 /nfs/dbraw/zinc/37/02/13/556370213.db2.gz ZCWDNQDGPNBYIZ-RUZDIDTESA-N 3 1 447.664 3.235 50 0 IGAAMP C[NH+](CCCC[NH+]1CCOCC1)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011874229 556370216 /nfs/dbraw/zinc/37/02/16/556370216.db2.gz ZCWDNQDGPNBYIZ-RUZDIDTESA-N 3 1 447.664 3.235 50 0 IGAAMP C[NH+](C[C@@H](O)COc1ccccc1C[N@H+](C)CCCCN1CCOCC1)C1CCCCC1 ZINC000011874229 556370220 /nfs/dbraw/zinc/37/02/20/556370220.db2.gz ZCWDNQDGPNBYIZ-RUZDIDTESA-N 2 1 447.664 3.235 50 0 IGAAMP C[NH+](C[C@@H](O)COc1ccccc1C[N@@H+](C)CCCCN1CCOCC1)C1CCCCC1 ZINC000011874229 556370223 /nfs/dbraw/zinc/37/02/23/556370223.db2.gz ZCWDNQDGPNBYIZ-RUZDIDTESA-N 2 1 447.664 3.235 50 0 IGAAMP C[NH+](CCCCN1CCOCC1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011874229 556370225 /nfs/dbraw/zinc/37/02/25/556370225.db2.gz ZCWDNQDGPNBYIZ-RUZDIDTESA-N 2 1 447.664 3.235 50 0 IGAAMP C[NH+](CCCCN1CCOCC1)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011874229 556370228 /nfs/dbraw/zinc/37/02/28/556370228.db2.gz ZCWDNQDGPNBYIZ-RUZDIDTESA-N 2 1 447.664 3.235 50 0 IGAAMP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]Cc2c(OC)cccc2OC)cc1OC ZINC000014976258 556468950 /nfs/dbraw/zinc/46/89/50/556468950.db2.gz VCHQTZNEARYUDF-IBGZPJMESA-N 2 1 432.561 3.084 50 0 IGAAMP COc1cc(C[N@H+](C)Cc2cnn(C)c2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000015071494 556496413 /nfs/dbraw/zinc/49/64/13/556496413.db2.gz QNOWXKDPWPNRDU-JOCHJYFZSA-N 2 1 430.593 3.065 50 0 IGAAMP COc1cc(C[N@@H+](C)Cc2cnn(C)c2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000015071494 556496414 /nfs/dbraw/zinc/49/64/14/556496414.db2.gz QNOWXKDPWPNRDU-JOCHJYFZSA-N 2 1 430.593 3.065 50 0 IGAAMP COc1cc(C[NH+](C)Cc2cnn(C)c2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000015071494 556496415 /nfs/dbraw/zinc/49/64/15/556496415.db2.gz QNOWXKDPWPNRDU-JOCHJYFZSA-N 2 1 430.593 3.065 50 0 IGAAMP COc1cc(C[NH+](C)Cc2cnn(C)c2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000015071494 556496417 /nfs/dbraw/zinc/49/64/17/556496417.db2.gz QNOWXKDPWPNRDU-JOCHJYFZSA-N 2 1 430.593 3.065 50 0 IGAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cnn(C(C)C)c2)C1 ZINC000011844542 556660571 /nfs/dbraw/zinc/66/05/71/556660571.db2.gz DQCJFXVUMCCEJJ-OAQYLSRUSA-N 2 1 441.620 3.389 50 0 IGAAMP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055061066 556733658 /nfs/dbraw/zinc/73/36/58/556733658.db2.gz CAOBXIRMXXWLML-HXUWFJFHSA-N 2 1 426.527 3.160 50 0 IGAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)CC1 ZINC000020209174 556998304 /nfs/dbraw/zinc/99/83/04/556998304.db2.gz VEKIIDFLXAIXRA-QHCPKHFHSA-N 2 1 439.604 3.010 50 0 IGAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)CC1 ZINC000020209174 556998306 /nfs/dbraw/zinc/99/83/06/556998306.db2.gz VEKIIDFLXAIXRA-QHCPKHFHSA-N 2 1 439.604 3.010 50 0 IGAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCc3ccc(Cl)cc3)c2)CC1 ZINC000023358893 557087617 /nfs/dbraw/zinc/08/76/17/557087617.db2.gz NZKQWHSRORVFGH-HSZRJFAPSA-N 2 1 432.008 3.050 50 0 IGAAMP CCOCCCN1C(=O)CC[C@@H]2C[N@H+](C3CC[NH+](CCc4ccccc4)CC3)CC[C@@H]21 ZINC000299769408 568756671 /nfs/dbraw/zinc/75/66/71/568756671.db2.gz XLDKZOBRHLUBKZ-NOZRDPDXSA-N 2 1 427.633 3.433 50 0 IGAAMP CCOCCCN1C(=O)CC[C@@H]2C[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)CC[C@@H]21 ZINC000299769408 568756672 /nfs/dbraw/zinc/75/66/72/568756672.db2.gz XLDKZOBRHLUBKZ-NOZRDPDXSA-N 2 1 427.633 3.433 50 0 IGAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]2CCO)CC1 ZINC000104625397 568837575 /nfs/dbraw/zinc/83/75/75/568837575.db2.gz PGRHEVVSCBBTEV-HSZRJFAPSA-N 2 1 446.039 3.472 50 0 IGAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]2CCO)CC1 ZINC000104625397 568837576 /nfs/dbraw/zinc/83/75/76/568837576.db2.gz PGRHEVVSCBBTEV-HSZRJFAPSA-N 2 1 446.039 3.472 50 0 IGAAMP Cc1ccccc1C[NH+]1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000058155196 569448905 /nfs/dbraw/zinc/44/89/05/569448905.db2.gz CXAMPECQCZEPTM-UHFFFAOYSA-N 2 1 438.641 3.300 50 0 IGAAMP COc1cc(C[N@H+](C)Cc2cn(C)nc2C)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012595159 522354668 /nfs/dbraw/zinc/35/46/68/522354668.db2.gz WKHVKHPPQHZWPR-HSZRJFAPSA-N 2 1 444.620 3.373 50 0 IGAAMP COc1cc(C[N@@H+](C)Cc2cn(C)nc2C)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012595159 522354675 /nfs/dbraw/zinc/35/46/75/522354675.db2.gz WKHVKHPPQHZWPR-HSZRJFAPSA-N 2 1 444.620 3.373 50 0 IGAAMP COc1cc(C[NH+](C)Cc2cn(C)nc2C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012595159 522354680 /nfs/dbraw/zinc/35/46/80/522354680.db2.gz WKHVKHPPQHZWPR-HSZRJFAPSA-N 2 1 444.620 3.373 50 0 IGAAMP COc1cc(C[NH+](C)Cc2cn(C)nc2C)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012595159 522354689 /nfs/dbraw/zinc/35/46/89/522354689.db2.gz WKHVKHPPQHZWPR-HSZRJFAPSA-N 2 1 444.620 3.373 50 0 IGAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cccnc2OC)C1 ZINC000012584846 524449946 /nfs/dbraw/zinc/44/99/46/524449946.db2.gz MXCSFBNMBBUIAX-HXUWFJFHSA-N 2 1 440.588 3.015 50 0 IGAAMP Cc1cc(C)n(CCC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000012477731 524515392 /nfs/dbraw/zinc/51/53/92/524515392.db2.gz CYHFQIBFNIRGFI-QFIPXVFZSA-N 2 1 443.611 3.332 50 0 IGAAMP COc1ccc(OC)c(C[NH2+]Cc2ccc(OC[C@H](O)C[N@@H+](C)C(C)C)c(OC)c2)c1 ZINC000012611991 524837470 /nfs/dbraw/zinc/83/74/70/524837470.db2.gz UVRGEQWTPVCRSJ-HXUWFJFHSA-N 2 1 432.561 3.082 50 0 IGAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@H+](C)Cc2[nH]nc3c2CCCC3)cc1OC ZINC000011820058 556362004 /nfs/dbraw/zinc/36/20/04/556362004.db2.gz QSHMEYYZCQKNEA-LJQANCHMSA-N 2 1 430.593 3.011 50 0 IGAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@@H+](C)Cc2[nH]nc3c2CCCC3)cc1OC ZINC000011820058 556362006 /nfs/dbraw/zinc/36/20/06/556362006.db2.gz QSHMEYYZCQKNEA-LJQANCHMSA-N 2 1 430.593 3.011 50 0 IGAAMP COc1ccc(C[NH2+]CCc2cccnc2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011937656 556379567 /nfs/dbraw/zinc/37/95/67/556379567.db2.gz JDEZKHVRPFEFJQ-DEOSSOPVSA-N 2 1 435.568 3.294 50 0 IGAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)Cc2c(C)noc2C)C1 ZINC000012057334 556394898 /nfs/dbraw/zinc/39/48/98/556394898.db2.gz BRJUXEPPGABYSP-OAQYLSRUSA-N 2 1 442.604 3.145 50 0 IGAAMP COc1cc(C[N@@H+](C)CCc2cn[nH]c2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012075366 556397403 /nfs/dbraw/zinc/39/74/03/556397403.db2.gz BUCIZGPABLBYMQ-JOCHJYFZSA-N 2 1 430.593 3.097 50 0 IGAAMP COc1cc(C[NH+](C)CCc2cn[nH]c2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012075366 556397405 /nfs/dbraw/zinc/39/74/05/556397405.db2.gz BUCIZGPABLBYMQ-JOCHJYFZSA-N 2 1 430.593 3.097 50 0 IGAAMP COc1cc(C[NH+](C)CCc2cn[nH]c2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012075366 556397408 /nfs/dbraw/zinc/39/74/08/556397408.db2.gz BUCIZGPABLBYMQ-JOCHJYFZSA-N 2 1 430.593 3.097 50 0 IGAAMP COc1ccccc1C[N@@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCSCC2)c(OC)c1 ZINC000015077068 556499561 /nfs/dbraw/zinc/49/95/61/556499561.db2.gz KRZFYQHSZYVJBB-OAQYLSRUSA-N 2 1 446.613 3.124 50 0 IGAAMP CC[N@@H+](C)C[C@@H]1CCN(CC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000072305282 556553246 /nfs/dbraw/zinc/55/32/46/556553246.db2.gz RFNSNIJEWGEXIC-QFIPXVFZSA-N 2 1 425.573 3.164 50 0 IGAAMP CCC[NH+]1CCN(Cc2ccc(OC)c(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000023358148 557087037 /nfs/dbraw/zinc/08/70/37/557087037.db2.gz XRUHQADZOBHKCD-XMMPIXPASA-N 2 1 441.616 3.095 50 0 IGAAMP CCC[NH+]1CCN(Cc2ccc(OC)c(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000023358146 557087063 /nfs/dbraw/zinc/08/70/63/557087063.db2.gz XRUHQADZOBHKCD-DEOSSOPVSA-N 2 1 441.616 3.095 50 0 IGAAMP CC[NH+](CC)CCN(C)Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000023359098 557087528 /nfs/dbraw/zinc/08/75/28/557087528.db2.gz OGEIYOQQBBHYAS-DEOSSOPVSA-N 2 1 443.632 3.341 50 0 IGAAMP COc1ccc(C[NH2+]Cc2cc(C)no2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000015069473 568635126 /nfs/dbraw/zinc/63/51/26/568635126.db2.gz QCCOLPLCUYMFCQ-OAQYLSRUSA-N 2 1 425.529 3.153 50 0 IGAAMP COc1ccc(C[NH2+]Cc2cc(C)no2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000015069473 568635129 /nfs/dbraw/zinc/63/51/29/568635129.db2.gz QCCOLPLCUYMFCQ-OAQYLSRUSA-N 2 1 425.529 3.153 50 0 IGAAMP CCOc1ccccc1CN1CCN(C2CC[NH+](Cc3ccccn3)CC2)C[C@H]1CCO ZINC000104644100 568837168 /nfs/dbraw/zinc/83/71/68/568837168.db2.gz IJJSEWAUGKHGEX-RUZDIDTESA-N 2 1 438.616 3.014 50 0 IGAAMP C[NH+]1CCN([C@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)c2cccs2)CC1 ZINC000040160710 569495105 /nfs/dbraw/zinc/49/51/05/569495105.db2.gz FQUXFRYQPPJGLR-YMPZKCBVSA-N 2 1 429.630 3.081 50 0 IGAAMP CC1=C(C(=O)NCC[N@H+](C)C2CCCCC2)C2(CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000021868430 520796377 /nfs/dbraw/zinc/79/63/77/520796377.db2.gz LFNASJBFCZGGSQ-UHFFFAOYSA-N 2 1 439.600 3.275 50 0 IGAAMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)CC1 ZINC000012807869 521667469 /nfs/dbraw/zinc/66/74/69/521667469.db2.gz XCSFFLLHUJGLPE-WMZHIEFXSA-N 2 1 434.584 3.451 50 0 IGAAMP COc1ccc(C[N@H+](C)Cc2cn(C)nc2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000015066179 524006572 /nfs/dbraw/zinc/00/65/72/524006572.db2.gz ZCKPIYGIYKCAQX-QHCPKHFHSA-N 2 1 444.620 3.375 50 0 IGAAMP COc1ccc(C[N@@H+](C)Cc2cn(C)nc2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000015066179 524006577 /nfs/dbraw/zinc/00/65/77/524006577.db2.gz ZCKPIYGIYKCAQX-QHCPKHFHSA-N 2 1 444.620 3.375 50 0 IGAAMP COCc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)o1 ZINC000015066086 556492797 /nfs/dbraw/zinc/49/27/97/556492797.db2.gz PBHFVFDKZZEEFC-LJQANCHMSA-N 2 1 431.552 3.481 50 0 IGAAMP CCn1c(C)c(C[NH+]2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c2ccccc21 ZINC000065060119 569095775 /nfs/dbraw/zinc/09/57/75/569095775.db2.gz BLSQFDHFAKOZFR-UHFFFAOYSA-N 2 1 426.605 3.020 50 0 IGAAMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000065256200 569123096 /nfs/dbraw/zinc/12/30/96/569123096.db2.gz MXPAIUSWVZCBHX-RUZDIDTESA-N 2 1 441.579 3.021 50 0 IGAAMP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C(F)(F)F)CC2)c1 ZINC000170614618 569146367 /nfs/dbraw/zinc/14/63/67/569146367.db2.gz AJNNWLJFALCNSV-PMACEKPBSA-N 2 1 448.489 3.049 50 0 IGAAMP CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)CN2CCC[NH+](C)CC2)c1 ZINC000020449255 521371071 /nfs/dbraw/zinc/37/10/71/521371071.db2.gz JDUYGPYWTWAFRF-XMMPIXPASA-N 2 1 441.616 3.095 50 0 IGAAMP CC[NH+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)CN2CCC[N@H+](C)CC2)c1 ZINC000020449255 521371079 /nfs/dbraw/zinc/37/10/79/521371079.db2.gz JDUYGPYWTWAFRF-XMMPIXPASA-N 2 1 441.616 3.095 50 0 IGAAMP CC[NH+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)CN2CCC[N@@H+](C)CC2)c1 ZINC000020449255 521371087 /nfs/dbraw/zinc/37/10/87/521371087.db2.gz JDUYGPYWTWAFRF-XMMPIXPASA-N 2 1 441.616 3.095 50 0 IGAAMP CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCCN(C)CC2)c1 ZINC000020449255 521371096 /nfs/dbraw/zinc/37/10/96/521371096.db2.gz JDUYGPYWTWAFRF-XMMPIXPASA-N 2 1 441.616 3.095 50 0 IGAAMP CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCCN(C)CC2)c1 ZINC000020449255 521371106 /nfs/dbraw/zinc/37/11/06/521371106.db2.gz JDUYGPYWTWAFRF-XMMPIXPASA-N 2 1 441.616 3.095 50 0 IGAAMP CC[NH+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)C[N@@H+]2CCCN(C)CC2)c1 ZINC000020449255 521371113 /nfs/dbraw/zinc/37/11/13/521371113.db2.gz JDUYGPYWTWAFRF-XMMPIXPASA-N 2 1 441.616 3.095 50 0 IGAAMP CC[NH+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)C[N@H+]2CCCN(C)CC2)c1 ZINC000020449255 521371123 /nfs/dbraw/zinc/37/11/23/521371123.db2.gz JDUYGPYWTWAFRF-XMMPIXPASA-N 2 1 441.616 3.095 50 0 IGAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCc1ccc(F)cc1 ZINC000012091793 521653412 /nfs/dbraw/zinc/65/34/12/521653412.db2.gz BDVXDWMFNZZISC-DEOSSOPVSA-N 2 1 433.612 3.430 50 0 IGAAMP COc1cc(C[N@@H+](C)CCc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012593805 522350019 /nfs/dbraw/zinc/35/00/19/522350019.db2.gz NLYNMMNNXNJCBE-QHCPKHFHSA-N 2 1 444.620 3.107 50 0 IGAAMP COc1cc(C[NH+](C)CCc2cnn(C)c2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012593805 522350030 /nfs/dbraw/zinc/35/00/30/522350030.db2.gz NLYNMMNNXNJCBE-QHCPKHFHSA-N 2 1 444.620 3.107 50 0 IGAAMP COc1cc(C[NH+](C)CCc2cnn(C)c2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012593805 522350041 /nfs/dbraw/zinc/35/00/41/522350041.db2.gz NLYNMMNNXNJCBE-QHCPKHFHSA-N 2 1 444.620 3.107 50 0 IGAAMP COc1cc(C[NH2+]Cc2cnc(C)cn2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012465605 522471383 /nfs/dbraw/zinc/47/13/83/522471383.db2.gz QXHHVZVUHSKBDS-QFIPXVFZSA-N 2 1 428.577 3.089 50 0 IGAAMP COc1cc(C[NH2+]Cc2[nH]nc3c2CCC3)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012433364 522471475 /nfs/dbraw/zinc/47/14/75/522471475.db2.gz WNQCOJSKRFXUSX-FQEVSTJZSA-N 2 1 442.604 3.201 50 0 IGAAMP COc1cc(C[NH2+]Cc2[nH]nc3c2CCC3)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012433365 522472292 /nfs/dbraw/zinc/47/22/92/522472292.db2.gz WNQCOJSKRFXUSX-HXUWFJFHSA-N 2 1 442.604 3.201 50 0 IGAAMP CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@@H+](C)CCCC[NH+]1CCOCC1 ZINC000012433458 522735286 /nfs/dbraw/zinc/73/52/86/522735286.db2.gz FRJZJICCYFTJEJ-UHFFFAOYSA-N 2 1 449.599 3.151 50 0 IGAAMP C[NH+]1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3cn4ccccc4n3)CC2)CC1 ZINC000020454516 523767453 /nfs/dbraw/zinc/76/74/53/523767453.db2.gz UEMKYCFQVUKPGL-UHFFFAOYSA-N 2 1 446.599 3.178 50 0 IGAAMP O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012279395 526990303 /nfs/dbraw/zinc/99/03/03/526990303.db2.gz SRRODPDCOZNMTK-XZOQPEGZSA-N 2 1 425.548 3.450 50 0 IGAAMP O=C(Nc1ccnn1C1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1)[C@@H]1CCOC1 ZINC000012210634 527459470 /nfs/dbraw/zinc/45/94/70/527459470.db2.gz KZQRVMMNPOLWEW-OAQYLSRUSA-N 2 1 437.588 3.160 50 0 IGAAMP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014742294 556439154 /nfs/dbraw/zinc/43/91/54/556439154.db2.gz LYLMLIPBTBVXAW-ZEQKJWHPSA-N 3 1 436.644 3.442 50 0 IGAAMP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccc3ccccc3c2)C1 ZINC000014742294 556439156 /nfs/dbraw/zinc/43/91/56/556439156.db2.gz LYLMLIPBTBVXAW-ZEQKJWHPSA-N 2 1 436.644 3.442 50 0 IGAAMP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](CN2CCCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014742294 556439157 /nfs/dbraw/zinc/43/91/57/556439157.db2.gz LYLMLIPBTBVXAW-ZEQKJWHPSA-N 2 1 436.644 3.442 50 0 IGAAMP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](CN2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014742294 556439159 /nfs/dbraw/zinc/43/91/59/556439159.db2.gz LYLMLIPBTBVXAW-ZEQKJWHPSA-N 2 1 436.644 3.442 50 0 IGAAMP COc1ccc(C[NH2+]CCCOC(C)C)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014970166 556466858 /nfs/dbraw/zinc/46/68/58/556466858.db2.gz NOGZQWDPNOBRQK-QHCPKHFHSA-N 2 1 430.589 3.472 50 0 IGAAMP CC(C)CNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000023354108 557086691 /nfs/dbraw/zinc/08/66/91/557086691.db2.gz YESMBSLPNHDLSP-ZEQKJWHPSA-N 2 1 436.644 3.298 50 0 IGAAMP CC[N@@H+](CCn1cccn1)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCCC2)c(OC)c1 ZINC000015076550 568636078 /nfs/dbraw/zinc/63/60/78/568636078.db2.gz MMQQIUGHALMLKQ-HSZRJFAPSA-N 2 1 444.620 3.420 50 0 IGAAMP CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+](C)Cc2c(C)nc3ccccn32)ccc1OC ZINC000012306103 520737201 /nfs/dbraw/zinc/73/72/01/520737201.db2.gz ILPZJEAQQOSOIM-NRFANRHFSA-N 2 1 440.588 3.365 50 0 IGAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C1(c2ccccc2)CC1 ZINC000012457636 521632892 /nfs/dbraw/zinc/63/28/92/521632892.db2.gz CRLZOSNQHIPWHP-XMMPIXPASA-N 2 1 427.633 3.390 50 0 IGAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000012597586 521634434 /nfs/dbraw/zinc/63/44/34/521634434.db2.gz FAESITWDVVZUIN-OAQYLSRUSA-N 2 1 425.577 3.329 50 0 IGAAMP CSc1ncc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000011821260 556362830 /nfs/dbraw/zinc/36/28/30/556362830.db2.gz HNHYOBIWKGHSEA-UHFFFAOYSA-N 2 1 440.661 3.402 50 0 IGAAMP CSc1ncc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000011821260 556362831 /nfs/dbraw/zinc/36/28/31/556362831.db2.gz HNHYOBIWKGHSEA-UHFFFAOYSA-N 2 1 440.661 3.402 50 0 IGAAMP Cc1c(C(=O)NCCC[N@H+](C)C2CCCCC2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048322 556744361 /nfs/dbraw/zinc/74/43/61/556744361.db2.gz ISWRZPUQXUUCHT-UHFFFAOYSA-N 2 1 444.649 3.136 50 0 IGAAMP Cc1cc(C)n(-c2cccc(C[N@@H+]3CCN(C4CC[NH+](C(C)C)CC4)[C@@H](CCO)C3)c2)n1 ZINC000023145865 557068292 /nfs/dbraw/zinc/06/82/92/557068292.db2.gz XHQMJQJPYIPLCZ-SANMLTNESA-N 2 1 439.648 3.231 50 0 IGAAMP COc1ccc(C[NH2+]Cc2cc(C)no2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000015069471 568635362 /nfs/dbraw/zinc/63/53/62/568635362.db2.gz QCCOLPLCUYMFCQ-NRFANRHFSA-N 2 1 425.529 3.153 50 0 IGAAMP COc1ccc(C[NH2+]Cc2cc(C)no2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000015069471 568635364 /nfs/dbraw/zinc/63/53/64/568635364.db2.gz QCCOLPLCUYMFCQ-NRFANRHFSA-N 2 1 425.529 3.153 50 0 IGAAMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000253602916 568644019 /nfs/dbraw/zinc/64/40/19/568644019.db2.gz GVWPKKPYEKPYCT-MOPGFXCFSA-N 2 1 435.547 3.197 50 0 IGAAMP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+](C)Cc2c(C)nc3ccccn32)ccc1OC ZINC000012306100 520722241 /nfs/dbraw/zinc/72/22/41/520722241.db2.gz ILPZJEAQQOSOIM-OAQYLSRUSA-N 2 1 440.588 3.365 50 0 IGAAMP COc1cc(C[N@@H+](C)CCn2ccnc2C)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012316700 522351109 /nfs/dbraw/zinc/35/11/09/522351109.db2.gz JMOXQVBYBXXLFG-QHCPKHFHSA-N 2 1 444.620 3.336 50 0 IGAAMP COc1cc(C[NH+](C)CCn2ccnc2C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012316700 522351116 /nfs/dbraw/zinc/35/11/16/522351116.db2.gz JMOXQVBYBXXLFG-QHCPKHFHSA-N 2 1 444.620 3.336 50 0 IGAAMP COc1cc(C[NH+](C)CCn2ccnc2C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012316700 522351124 /nfs/dbraw/zinc/35/11/24/522351124.db2.gz JMOXQVBYBXXLFG-QHCPKHFHSA-N 2 1 444.620 3.336 50 0 IGAAMP COc1cc(C[N@H+](C)CCn2cc[nH+]c2C)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012316700 522351135 /nfs/dbraw/zinc/35/11/35/522351135.db2.gz JMOXQVBYBXXLFG-QHCPKHFHSA-N 3 1 444.620 3.336 50 0 IGAAMP COc1cc(C[N@@H+](C)CCn2cc[nH+]c2C)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012316700 522351145 /nfs/dbraw/zinc/35/11/45/522351145.db2.gz JMOXQVBYBXXLFG-QHCPKHFHSA-N 3 1 444.620 3.336 50 0 IGAAMP COc1cc(C[NH+](C)CCn2cc[nH+]c2C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012316700 522351154 /nfs/dbraw/zinc/35/11/54/522351154.db2.gz JMOXQVBYBXXLFG-QHCPKHFHSA-N 3 1 444.620 3.336 50 0 IGAAMP COc1cc(C[NH+](C)CCn2cc[nH+]c2C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012316700 522351161 /nfs/dbraw/zinc/35/11/61/522351161.db2.gz JMOXQVBYBXXLFG-QHCPKHFHSA-N 3 1 444.620 3.336 50 0 IGAAMP CCn1cc(C[NH2+]Cc2ccc(OC)c(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)c2)cn1 ZINC000012706729 523383445 /nfs/dbraw/zinc/38/34/45/523383445.db2.gz VYTYIPLEBOHWLF-QHCPKHFHSA-N 2 1 438.572 3.073 50 0 IGAAMP COc1ccc(C[N@@H+](C)CCOc2ccc(C)cc2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000012701474 524004660 /nfs/dbraw/zinc/00/46/60/524004660.db2.gz QNDSKVCCCAUVGL-JOCHJYFZSA-N 2 1 428.573 3.350 50 0 IGAAMP CCn1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c2cc(Cl)ccc21 ZINC000065060051 556322045 /nfs/dbraw/zinc/32/20/45/556322045.db2.gz OUZVSDBILUPQJX-UHFFFAOYSA-N 2 1 447.023 3.365 50 0 IGAAMP COc1ccc(C[NH2+]CCc2cccnc2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000011937657 556379606 /nfs/dbraw/zinc/37/96/06/556379606.db2.gz JDEZKHVRPFEFJQ-XMMPIXPASA-N 2 1 435.568 3.294 50 0 IGAAMP COc1ccc(C[N@H+](C)CCn2cc[nH+]c2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011936341 556675894 /nfs/dbraw/zinc/67/58/94/556675894.db2.gz GCQFQRDQDSXDCB-HSZRJFAPSA-N 3 1 444.620 3.338 50 0 IGAAMP COc1ccc(C[N@@H+](C)CCn2cc[nH+]c2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011936341 556675897 /nfs/dbraw/zinc/67/58/97/556675897.db2.gz GCQFQRDQDSXDCB-HSZRJFAPSA-N 3 1 444.620 3.338 50 0 IGAAMP COc1cc(C[NH2+]CCCn2ccnc2C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000023338117 557085265 /nfs/dbraw/zinc/08/52/65/557085265.db2.gz GGQDMHINLMTDCD-QHCPKHFHSA-N 2 1 444.620 3.384 50 0 IGAAMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000023338117 557085267 /nfs/dbraw/zinc/08/52/67/557085267.db2.gz GGQDMHINLMTDCD-QHCPKHFHSA-N 3 1 444.620 3.384 50 0 IGAAMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000023338117 557085272 /nfs/dbraw/zinc/08/52/72/557085272.db2.gz GGQDMHINLMTDCD-QHCPKHFHSA-N 3 1 444.620 3.384 50 0 IGAAMP O[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1N1CC[NH+](CCc2ccccc2)CC1 ZINC000023360399 557087569 /nfs/dbraw/zinc/08/75/69/557087569.db2.gz HEJUUFKXOLIKBV-DNQXCXABSA-N 2 1 445.554 3.084 50 0 IGAAMP COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012467239 524069859 /nfs/dbraw/zinc/06/98/59/524069859.db2.gz ADTSETPBKLTFOU-HSZRJFAPSA-N 2 1 442.600 3.352 50 0 IGAAMP O=C(CCC1CC[NH+](Cc2ccc(CO)o2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012373121 526407903 /nfs/dbraw/zinc/40/79/03/526407903.db2.gz LMVGFXPRHPCGHN-QFIPXVFZSA-N 2 1 425.573 3.155 50 0 IGAAMP CCOc1cc(C[NH2+]CCC[NH2+]CCO)cc(Br)c1OCc1ccccc1 ZINC000013732878 556296490 /nfs/dbraw/zinc/29/64/90/556296490.db2.gz FDRVHLOBVOXOBH-UHFFFAOYSA-N 2 1 437.378 3.488 50 0 IGAAMP CCOC(=O)C1CC[NH+](Cc2ccccc2OC[C@H](O)C[N@@H+](C)C2CCCCC2)CC1 ZINC000011770349 556350203 /nfs/dbraw/zinc/35/02/03/556350203.db2.gz LJXWKRWFCPDBHV-HSZRJFAPSA-N 2 1 432.605 3.466 50 0 IGAAMP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@H+](C)Cc2[nH]nc3c2CCCC3)cc1OC ZINC000011820059 556362031 /nfs/dbraw/zinc/36/20/31/556362031.db2.gz QSHMEYYZCQKNEA-IBGZPJMESA-N 2 1 430.593 3.011 50 0 IGAAMP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@@H+](C)Cc2[nH]nc3c2CCCC3)cc1OC ZINC000011820059 556362033 /nfs/dbraw/zinc/36/20/33/556362033.db2.gz QSHMEYYZCQKNEA-IBGZPJMESA-N 2 1 430.593 3.011 50 0 IGAAMP CC(=O)N1CCC([N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)CC1 ZINC000011933991 556377252 /nfs/dbraw/zinc/37/72/52/556377252.db2.gz RUFCTCGOIPSUNP-MHZLTWQESA-N 2 1 439.644 3.358 50 0 IGAAMP COc1ccc(C[N@H+](C)Cc2cnc3ccccn23)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000055099928 556734698 /nfs/dbraw/zinc/73/46/98/556734698.db2.gz HHTVQZLDKSITHT-QFIPXVFZSA-N 2 1 438.572 3.201 50 0 IGAAMP COc1ccc(C[N@@H+](C)Cc2cnc3ccccn23)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000055099928 556734701 /nfs/dbraw/zinc/73/47/01/556734701.db2.gz HHTVQZLDKSITHT-QFIPXVFZSA-N 2 1 438.572 3.201 50 0 IGAAMP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000055109065 556734970 /nfs/dbraw/zinc/73/49/70/556734970.db2.gz HARNPZNMGABZOU-JOCHJYFZSA-N 3 1 435.653 3.378 50 0 IGAAMP CC(C)NC(=O)[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)C[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000020149099 556990767 /nfs/dbraw/zinc/99/07/67/556990767.db2.gz GOZUSDIQTVBLEC-VPUSJEBWSA-N 2 1 448.655 3.470 50 0 IGAAMP CC(C)NC(=O)[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)C[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000020149099 556990770 /nfs/dbraw/zinc/99/07/70/556990770.db2.gz GOZUSDIQTVBLEC-VPUSJEBWSA-N 2 1 448.655 3.470 50 0 IGAAMP COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(OC)c3ccccc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000023358732 557087398 /nfs/dbraw/zinc/08/73/98/557087398.db2.gz LQHDGQPSPVWSEL-XUZZJYLKSA-N 2 1 439.600 3.240 50 0 IGAAMP COc1cc(C[N@H+]2CCc3ccccc3C2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000015073212 568635712 /nfs/dbraw/zinc/63/57/12/568635712.db2.gz UGGJENCULARKJM-QFIPXVFZSA-N 2 1 428.598 3.042 50 0 IGAAMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065256032 569123104 /nfs/dbraw/zinc/12/31/04/569123104.db2.gz ZZGDMZPJGAAPRT-VWLOTQADSA-N 2 1 441.579 3.021 50 0 IGAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCc1ccc(F)cc1 ZINC000012091788 521633059 /nfs/dbraw/zinc/63/30/59/521633059.db2.gz BDVXDWMFNZZISC-XMMPIXPASA-N 2 1 433.612 3.430 50 0 IGAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C1(c2ccccc2)CC1 ZINC000012457638 521653400 /nfs/dbraw/zinc/65/34/00/521653400.db2.gz CRLZOSNQHIPWHP-DEOSSOPVSA-N 2 1 427.633 3.390 50 0 IGAAMP C[N@@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)C1CCOCC1 ZINC000011664850 556345583 /nfs/dbraw/zinc/34/55/83/556345583.db2.gz RXZXNJUCMRVQIV-UHFFFAOYSA-N 2 1 439.604 3.036 50 0 IGAAMP C[NH+](C[C@H](O)COc1ccccc1C[N@@H+](C)CCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000011874230 556370276 /nfs/dbraw/zinc/37/02/76/556370276.db2.gz ZCWDNQDGPNBYIZ-VWLOTQADSA-N 3 1 447.664 3.235 50 0 IGAAMP C[NH+](CCCC[NH+]1CCOCC1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011874230 556370280 /nfs/dbraw/zinc/37/02/80/556370280.db2.gz ZCWDNQDGPNBYIZ-VWLOTQADSA-N 3 1 447.664 3.235 50 0 IGAAMP C[NH+](CCCC[NH+]1CCOCC1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011874230 556370282 /nfs/dbraw/zinc/37/02/82/556370282.db2.gz ZCWDNQDGPNBYIZ-VWLOTQADSA-N 3 1 447.664 3.235 50 0 IGAAMP C[NH+](C[C@H](O)COc1ccccc1C[N@H+](C)CCCCN1CCOCC1)C1CCCCC1 ZINC000011874230 556370285 /nfs/dbraw/zinc/37/02/85/556370285.db2.gz ZCWDNQDGPNBYIZ-VWLOTQADSA-N 2 1 447.664 3.235 50 0 IGAAMP C[NH+](C[C@H](O)COc1ccccc1C[N@@H+](C)CCCCN1CCOCC1)C1CCCCC1 ZINC000011874230 556370287 /nfs/dbraw/zinc/37/02/87/556370287.db2.gz ZCWDNQDGPNBYIZ-VWLOTQADSA-N 2 1 447.664 3.235 50 0 IGAAMP C[NH+](CCCCN1CCOCC1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011874230 556370289 /nfs/dbraw/zinc/37/02/89/556370289.db2.gz ZCWDNQDGPNBYIZ-VWLOTQADSA-N 2 1 447.664 3.235 50 0 IGAAMP C[NH+](CCCCN1CCOCC1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011874230 556370291 /nfs/dbraw/zinc/37/02/91/556370291.db2.gz ZCWDNQDGPNBYIZ-VWLOTQADSA-N 2 1 447.664 3.235 50 0 IGAAMP COc1ccc(C[NH2+]CCCOC(C)C)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014970170 556466831 /nfs/dbraw/zinc/46/68/31/556466831.db2.gz NOGZQWDPNOBRQK-HSZRJFAPSA-N 2 1 430.589 3.472 50 0 IGAAMP Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000043119863 556661112 /nfs/dbraw/zinc/66/11/12/556661112.db2.gz NOESCTQIRDAMOK-XMMPIXPASA-N 2 1 439.648 3.435 50 0 IGAAMP OCC[C@@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000019642373 556837910 /nfs/dbraw/zinc/83/79/10/556837910.db2.gz WSHGOYCXHALPAJ-AREMUKBSSA-N 2 1 425.592 3.401 50 0 IGAAMP OCC[C@@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000019642373 556837913 /nfs/dbraw/zinc/83/79/13/556837913.db2.gz WSHGOYCXHALPAJ-AREMUKBSSA-N 2 1 425.592 3.401 50 0 IGAAMP C[N@H+](Cc1ccccc1NC(=O)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)C1CCCCC1 ZINC000252475050 569185644 /nfs/dbraw/zinc/18/56/44/569185644.db2.gz RORZEEXYXKYXAP-XUZZJYLKSA-N 2 1 444.620 3.310 50 0 IGAAMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)C1CCCCC1 ZINC000252475050 569185645 /nfs/dbraw/zinc/18/56/45/569185645.db2.gz RORZEEXYXKYXAP-XUZZJYLKSA-N 2 1 444.620 3.310 50 0 IGAAMP C[NH+]1CCN([C@H](C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)c2cccs2)CC1 ZINC000245228121 569499759 /nfs/dbraw/zinc/49/97/59/569499759.db2.gz FQUXFRYQPPJGLR-MZYLBHOOSA-N 2 1 429.630 3.081 50 0 IGAAMP COc1ccc(C[N@H+](C)Cc2cc(C)no2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012452873 524006605 /nfs/dbraw/zinc/00/66/05/524006605.db2.gz JLWLETNFKQEAKE-QFIPXVFZSA-N 2 1 439.556 3.495 50 0 IGAAMP COc1ccc(C[N@@H+](C)Cc2cc(C)no2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012452873 524006615 /nfs/dbraw/zinc/00/66/15/524006615.db2.gz JLWLETNFKQEAKE-QFIPXVFZSA-N 2 1 439.556 3.495 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2cc(C)no2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012452873 524006621 /nfs/dbraw/zinc/00/66/21/524006621.db2.gz JLWLETNFKQEAKE-QFIPXVFZSA-N 2 1 439.556 3.495 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2cc(C)no2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012452873 524006626 /nfs/dbraw/zinc/00/66/26/524006626.db2.gz JLWLETNFKQEAKE-QFIPXVFZSA-N 2 1 439.556 3.495 50 0 IGAAMP O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000035404181 526725221 /nfs/dbraw/zinc/72/52/21/526725221.db2.gz UMXMIUFZUGFPHD-UHFFFAOYSA-N 2 1 433.600 3.438 50 0 IGAAMP O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000035404181 526725224 /nfs/dbraw/zinc/72/52/24/526725224.db2.gz UMXMIUFZUGFPHD-UHFFFAOYSA-N 2 1 433.600 3.438 50 0 IGAAMP O=C(NCC[NH+]1CCCC1)c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684574 555820142 /nfs/dbraw/zinc/82/01/42/555820142.db2.gz DDFVBZKOPIBWCX-UHFFFAOYSA-N 2 1 426.992 3.488 50 0 IGAAMP COc1ccccc1C[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCSCC2)c(OC)c1 ZINC000015077066 556499548 /nfs/dbraw/zinc/49/95/48/556499548.db2.gz KRZFYQHSZYVJBB-NRFANRHFSA-N 2 1 446.613 3.124 50 0 IGAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2CCO)CC1 ZINC000020119853 556987443 /nfs/dbraw/zinc/98/74/43/556987443.db2.gz QWSRIFXBPOWUCS-FQEVSTJZSA-N 2 1 429.527 3.327 50 0 IGAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2CCO)CC1 ZINC000020119853 556987446 /nfs/dbraw/zinc/98/74/46/556987446.db2.gz QWSRIFXBPOWUCS-FQEVSTJZSA-N 2 1 429.527 3.327 50 0 IGAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCc3ccc(Cl)cc3)c2)CC1 ZINC000023358895 557087649 /nfs/dbraw/zinc/08/76/49/557087649.db2.gz NZKQWHSRORVFGH-QHCPKHFHSA-N 2 1 432.008 3.050 50 0 IGAAMP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000253604625 568644002 /nfs/dbraw/zinc/64/40/02/568644002.db2.gz ZQXGJPREKWYQHY-GOSISDBHSA-N 2 1 435.547 3.197 50 0 IGAAMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000253602919 568644151 /nfs/dbraw/zinc/64/41/51/568644151.db2.gz GVWPKKPYEKPYCT-RBUKOAKNSA-N 2 1 435.547 3.197 50 0 IGAAMP C[NH+]1CCN([C@H](C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)c2cccs2)CC1 ZINC000245228122 569499717 /nfs/dbraw/zinc/49/97/17/569499717.db2.gz FQUXFRYQPPJGLR-WWNPGLIZSA-N 2 1 429.630 3.081 50 0 IGAAMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)CC1 ZINC000012807864 521667039 /nfs/dbraw/zinc/66/70/39/521667039.db2.gz XCSFFLLHUJGLPE-AUSIDOKSSA-N 2 1 434.584 3.451 50 0 IGAAMP COc1cc(C[NH2+]CCCn2ncc3ccccc32)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012477050 522451756 /nfs/dbraw/zinc/45/17/56/522451756.db2.gz PBDZFFFJQGWKQD-JOCHJYFZSA-N 2 1 440.588 3.305 50 0 IGAAMP COc1cc(C[NH2+]Cc2cnc(C)cn2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012465608 522470280 /nfs/dbraw/zinc/47/02/80/522470280.db2.gz QXHHVZVUHSKBDS-JOCHJYFZSA-N 2 1 428.577 3.089 50 0 IGAAMP COCC[N@@H+](Cc1ccc(OCCO)cc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012703175 523751230 /nfs/dbraw/zinc/75/12/30/523751230.db2.gz GJIGHVWXCRSKRK-QHCPKHFHSA-N 2 1 438.612 3.386 50 0 IGAAMP COCC[N@H+](Cc1ccc(OCCO)cc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012703175 523751238 /nfs/dbraw/zinc/75/12/38/523751238.db2.gz GJIGHVWXCRSKRK-QHCPKHFHSA-N 2 1 438.612 3.386 50 0 IGAAMP COCC[NH+](Cc1ccc(OCCO)cc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012703175 523751247 /nfs/dbraw/zinc/75/12/47/523751247.db2.gz GJIGHVWXCRSKRK-QHCPKHFHSA-N 2 1 438.612 3.386 50 0 IGAAMP COCC[NH+](Cc1ccc(OCCO)cc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012703175 523751253 /nfs/dbraw/zinc/75/12/53/523751253.db2.gz GJIGHVWXCRSKRK-QHCPKHFHSA-N 2 1 438.612 3.386 50 0 IGAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cccnc2OC)C1 ZINC000012584851 524449810 /nfs/dbraw/zinc/44/98/10/524449810.db2.gz MXCSFBNMBBUIAX-FQEVSTJZSA-N 2 1 440.588 3.015 50 0 IGAAMP O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012279397 526989594 /nfs/dbraw/zinc/98/95/94/526989594.db2.gz SRRODPDCOZNMTK-GOTSBHOMSA-N 2 1 425.548 3.450 50 0 IGAAMP O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014750976 556443396 /nfs/dbraw/zinc/44/33/96/556443396.db2.gz CKQREUMLNFLSIW-RCZVLFRGSA-N 2 1 445.611 3.456 50 0 IGAAMP COc1ccc(C[N@H+](C)Cc2cnc3ccccn23)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000055199663 556737725 /nfs/dbraw/zinc/73/77/25/556737725.db2.gz VVODPJIQXKIEOV-NRFANRHFSA-N 2 1 426.561 3.055 50 0 IGAAMP COc1ccc(C[N@@H+](C)Cc2cnc3ccccn23)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000055199663 556737727 /nfs/dbraw/zinc/73/77/27/556737727.db2.gz VVODPJIQXKIEOV-NRFANRHFSA-N 2 1 426.561 3.055 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2cnc3ccccn23)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000055199663 556737728 /nfs/dbraw/zinc/73/77/28/556737728.db2.gz VVODPJIQXKIEOV-NRFANRHFSA-N 2 1 426.561 3.055 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2cnc3ccccn23)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000055199663 556737731 /nfs/dbraw/zinc/73/77/31/556737731.db2.gz VVODPJIQXKIEOV-NRFANRHFSA-N 2 1 426.561 3.055 50 0 IGAAMP COc1cc(C[NH2+]CCCn2ccnc2C)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000023338119 557085171 /nfs/dbraw/zinc/08/51/71/557085171.db2.gz GGQDMHINLMTDCD-HSZRJFAPSA-N 2 1 444.620 3.384 50 0 IGAAMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000023338119 557085174 /nfs/dbraw/zinc/08/51/74/557085174.db2.gz GGQDMHINLMTDCD-HSZRJFAPSA-N 3 1 444.620 3.384 50 0 IGAAMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000023338119 557085176 /nfs/dbraw/zinc/08/51/76/557085176.db2.gz GGQDMHINLMTDCD-HSZRJFAPSA-N 3 1 444.620 3.384 50 0 IGAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000012314771 562981177 /nfs/dbraw/zinc/98/11/77/562981177.db2.gz VBDXXWFJXUCULH-RUZDIDTESA-N 3 1 425.617 3.380 50 0 IGAAMP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C(F)(F)F)CC2)c1 ZINC000170614617 569146384 /nfs/dbraw/zinc/14/63/84/569146384.db2.gz AJNNWLJFALCNSV-UXHICEINSA-N 2 1 448.489 3.049 50 0 IGAAMP CCCC[N@@H+](C)CCCNC(=O)C1=C(C)C(=O)OC12CC[NH+](Cc1ccccc1)CC2 ZINC000021868410 520401766 /nfs/dbraw/zinc/40/17/66/520401766.db2.gz KLKVHGBNXBZCTF-UHFFFAOYSA-N 2 1 427.589 3.133 50 0 IGAAMP COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000020782532 524073582 /nfs/dbraw/zinc/07/35/82/524073582.db2.gz HCWWFYHNUJPPNG-NRFANRHFSA-N 2 1 448.007 3.016 50 0 IGAAMP COCc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)o1 ZINC000015066087 556492776 /nfs/dbraw/zinc/49/27/76/556492776.db2.gz PBHFVFDKZZEEFC-IBGZPJMESA-N 2 1 431.552 3.481 50 0 IGAAMP CC[NH+]1CCC[C@H]1CNC(=O)Nc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC)ccc1C ZINC000011004701 557239422 /nfs/dbraw/zinc/23/94/22/557239422.db2.gz GUAXYQVCTDOJIN-UXHICEINSA-N 2 1 430.597 3.207 50 0 IGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000011004701 557239425 /nfs/dbraw/zinc/23/94/25/557239425.db2.gz GUAXYQVCTDOJIN-UXHICEINSA-N 2 1 430.597 3.207 50 0 IGAAMP CC[NH+]1CCC[C@@H]1CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000011004701 557239429 /nfs/dbraw/zinc/23/94/29/557239429.db2.gz GUAXYQVCTDOJIN-UXHICEINSA-N 2 1 430.597 3.207 50 0 IGAAMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)CC1 ZINC000012807855 521666456 /nfs/dbraw/zinc/66/64/56/521666456.db2.gz XCSFFLLHUJGLPE-XXBNENTESA-N 2 1 434.584 3.451 50 0 IGAAMP COc1cc(C[N@@H+](C)CCn2ccnc2C)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012316701 522353148 /nfs/dbraw/zinc/35/31/48/522353148.db2.gz JMOXQVBYBXXLFG-HSZRJFAPSA-N 2 1 444.620 3.336 50 0 IGAAMP COc1cc(C[NH+](C)CCn2ccnc2C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012316701 522353154 /nfs/dbraw/zinc/35/31/54/522353154.db2.gz JMOXQVBYBXXLFG-HSZRJFAPSA-N 2 1 444.620 3.336 50 0 IGAAMP COc1cc(C[NH+](C)CCn2ccnc2C)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012316701 522353157 /nfs/dbraw/zinc/35/31/57/522353157.db2.gz JMOXQVBYBXXLFG-HSZRJFAPSA-N 2 1 444.620 3.336 50 0 IGAAMP COc1cc(C[N@H+](C)CCn2cc[nH+]c2C)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012316701 522353162 /nfs/dbraw/zinc/35/31/62/522353162.db2.gz JMOXQVBYBXXLFG-HSZRJFAPSA-N 3 1 444.620 3.336 50 0 IGAAMP COc1cc(C[N@@H+](C)CCn2cc[nH+]c2C)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012316701 522353164 /nfs/dbraw/zinc/35/31/64/522353164.db2.gz JMOXQVBYBXXLFG-HSZRJFAPSA-N 3 1 444.620 3.336 50 0 IGAAMP COc1cc(C[NH+](C)CCn2cc[nH+]c2C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012316701 522353172 /nfs/dbraw/zinc/35/31/72/522353172.db2.gz JMOXQVBYBXXLFG-HSZRJFAPSA-N 3 1 444.620 3.336 50 0 IGAAMP COc1cc(C[NH+](C)CCn2cc[nH+]c2C)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012316701 522353179 /nfs/dbraw/zinc/35/31/79/522353179.db2.gz JMOXQVBYBXXLFG-HSZRJFAPSA-N 3 1 444.620 3.336 50 0 IGAAMP COc1cc(C[NH+]2CCC(CCO)CC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012749572 522369716 /nfs/dbraw/zinc/36/97/16/522369716.db2.gz OXQLBDTVNAGBKM-HSZRJFAPSA-N 2 1 434.621 3.294 50 0 IGAAMP C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035422024 524106950 /nfs/dbraw/zinc/10/69/50/524106950.db2.gz RRJZGEADWYVAHD-OAQYLSRUSA-N 2 1 442.648 3.123 50 0 IGAAMP CC[N@@H+](CCn1cccn1)Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000011843263 556366670 /nfs/dbraw/zinc/36/66/70/556366670.db2.gz FGTAXCFRJSZZHL-QHCPKHFHSA-N 2 1 444.620 3.420 50 0 IGAAMP COc1ccc(C[NH2+]CC2CCOCC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012050644 557525347 /nfs/dbraw/zinc/52/53/47/557525347.db2.gz YSHOBFJJOJRYNS-QHCPKHFHSA-N 2 1 428.573 3.083 50 0 IGAAMP C[C@H]1CN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000253604626 568644134 /nfs/dbraw/zinc/64/41/34/568644134.db2.gz ZQXGJPREKWYQHY-SFHVURJKSA-N 2 1 435.547 3.197 50 0 IGAAMP CCCc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)n(C)n1 ZINC000012713079 521349938 /nfs/dbraw/zinc/34/99/38/521349938.db2.gz NBEVOWPYFDXGSA-HXUWFJFHSA-N 2 1 443.611 3.428 50 0 IGAAMP COc1cc(C[N@H+](C)Cc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012432173 522356684 /nfs/dbraw/zinc/35/66/84/522356684.db2.gz IPPWDRCSJAXJLS-QFIPXVFZSA-N 2 1 430.593 3.067 50 0 IGAAMP COc1cc(C[N@@H+](C)Cc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012432173 522356691 /nfs/dbraw/zinc/35/66/91/522356691.db2.gz IPPWDRCSJAXJLS-QFIPXVFZSA-N 2 1 430.593 3.067 50 0 IGAAMP COc1ccccc1C[N@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cc(C3CC3)on2)C1 ZINC000012582013 524448846 /nfs/dbraw/zinc/44/88/46/524448846.db2.gz UDFIPXDFFNITTP-LJQANCHMSA-N 2 1 440.588 3.477 50 0 IGAAMP COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)CC1 ZINC000034682385 555816378 /nfs/dbraw/zinc/81/63/78/555816378.db2.gz FYFNVFNITNJEQH-UHFFFAOYSA-N 2 1 436.600 3.233 50 0 IGAAMP COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Br)c1OCc1ccccc1F ZINC000013732929 556296338 /nfs/dbraw/zinc/29/63/38/556296338.db2.gz MBBQSAQZIBCLDI-UHFFFAOYSA-N 2 1 441.341 3.237 50 0 IGAAMP COc1cc(C[N@H+](C)Cc2cnccn2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012073834 556396804 /nfs/dbraw/zinc/39/68/04/556396804.db2.gz INNFYUGWKBZFPU-JOCHJYFZSA-N 2 1 428.577 3.121 50 0 IGAAMP COc1cc(C[N@@H+](C)Cc2cnccn2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012073834 556396807 /nfs/dbraw/zinc/39/68/07/556396807.db2.gz INNFYUGWKBZFPU-JOCHJYFZSA-N 2 1 428.577 3.121 50 0 IGAAMP COc1cc(C[NH+](C)Cc2cnccn2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012073834 556396808 /nfs/dbraw/zinc/39/68/08/556396808.db2.gz INNFYUGWKBZFPU-JOCHJYFZSA-N 2 1 428.577 3.121 50 0 IGAAMP COc1cc(C[NH+](C)Cc2cnccn2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012073834 556396809 /nfs/dbraw/zinc/39/68/09/556396809.db2.gz INNFYUGWKBZFPU-JOCHJYFZSA-N 2 1 428.577 3.121 50 0 IGAAMP COc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3OC)C2)o1 ZINC000014957724 556462787 /nfs/dbraw/zinc/46/27/87/556462787.db2.gz QZNDLOALTZPYNT-LJQANCHMSA-N 2 1 429.561 3.213 50 0 IGAAMP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(C(C)=O)s1 ZINC000015061939 556490549 /nfs/dbraw/zinc/49/05/49/556490549.db2.gz ZMZGRCWMEUVEKV-HXUWFJFHSA-N 2 1 435.634 3.236 50 0 IGAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccc(C(C)=O)s1 ZINC000015061939 556490551 /nfs/dbraw/zinc/49/05/51/556490551.db2.gz ZMZGRCWMEUVEKV-HXUWFJFHSA-N 2 1 435.634 3.236 50 0 IGAAMP Cc1ccc(CCNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)s1 ZINC000091746463 557142824 /nfs/dbraw/zinc/14/28/24/557142824.db2.gz RWRFBFINURODJQ-NRFANRHFSA-N 2 1 426.630 3.487 50 0 IGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000012711358 521654858 /nfs/dbraw/zinc/65/48/58/521654858.db2.gz KPLXEHJPIYKXCK-FQEVSTJZSA-N 2 1 431.577 3.017 50 0 IGAAMP COc1cc(C[N@H+](C)Cc2cnn(C)c2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012432174 522357209 /nfs/dbraw/zinc/35/72/09/522357209.db2.gz IPPWDRCSJAXJLS-JOCHJYFZSA-N 2 1 430.593 3.067 50 0 IGAAMP COc1cc(C[N@@H+](C)Cc2cnn(C)c2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012432174 522357220 /nfs/dbraw/zinc/35/72/20/522357220.db2.gz IPPWDRCSJAXJLS-JOCHJYFZSA-N 2 1 430.593 3.067 50 0 IGAAMP COc1ccc(C[NH2+]CCc2ccccn2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012192845 524070965 /nfs/dbraw/zinc/07/09/65/524070965.db2.gz FMOOTGIWEJFWIR-XMMPIXPASA-N 2 1 435.568 3.294 50 0 IGAAMP Cc1nn(C)c(C)c1C[N@@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000012593900 527627729 /nfs/dbraw/zinc/62/77/29/527627729.db2.gz HVYHOCJGOTWXTH-HSZRJFAPSA-N 2 1 426.605 3.427 50 0 IGAAMP CC[N@@H+](CCn1cccn1)Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000011843262 556366682 /nfs/dbraw/zinc/36/66/82/556366682.db2.gz FGTAXCFRJSZZHL-HSZRJFAPSA-N 2 1 444.620 3.420 50 0 IGAAMP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014539619 556424980 /nfs/dbraw/zinc/42/49/80/556424980.db2.gz PJXKPLAAEMJFNR-FCHUYYIVSA-N 2 1 427.564 3.411 50 0 IGAAMP COc1ccc(C[N@H+](C)Cc2cnc3ccccn23)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000055099926 556734719 /nfs/dbraw/zinc/73/47/19/556734719.db2.gz HHTVQZLDKSITHT-JOCHJYFZSA-N 2 1 438.572 3.201 50 0 IGAAMP COc1ccc(C[N@@H+](C)Cc2cnc3ccccn23)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000055099926 556734722 /nfs/dbraw/zinc/73/47/22/556734722.db2.gz HHTVQZLDKSITHT-JOCHJYFZSA-N 2 1 438.572 3.201 50 0 IGAAMP Cc1ccccc1C[NH+]1CCC(CNC(=O)CCc2nc(C3=CC[N@@H+](C)CC3)no2)CC1 ZINC000033069181 556839962 /nfs/dbraw/zinc/83/99/62/556839962.db2.gz FGMVLTRXPVTPCI-UHFFFAOYSA-N 2 1 437.588 3.058 50 0 IGAAMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256199 569123193 /nfs/dbraw/zinc/12/31/93/569123193.db2.gz MXPAIUSWVZCBHX-VWLOTQADSA-N 2 1 441.579 3.021 50 0 IGAAMP C[N@H+](Cc1ccccc1NC(=O)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)C1CCCCC1 ZINC000252475049 569185634 /nfs/dbraw/zinc/18/56/34/569185634.db2.gz RORZEEXYXKYXAP-URXFXBBRSA-N 2 1 444.620 3.310 50 0 IGAAMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)C1CCCCC1 ZINC000252475049 569185635 /nfs/dbraw/zinc/18/56/35/569185635.db2.gz RORZEEXYXKYXAP-URXFXBBRSA-N 2 1 444.620 3.310 50 0 IGAAMP COc1cc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc(OC)c1OC ZINC000012112307 522374947 /nfs/dbraw/zinc/37/49/47/522374947.db2.gz VYNORNWFEXOOBM-IBGZPJMESA-N 2 1 447.620 3.257 50 0 IGAAMP CCn1cc(C[NH2+]Cc2ccc(OC)c(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)c2)cn1 ZINC000012706736 523384370 /nfs/dbraw/zinc/38/43/70/523384370.db2.gz VYTYIPLEBOHWLF-HSZRJFAPSA-N 2 1 438.572 3.073 50 0 IGAAMP O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012279398 526993229 /nfs/dbraw/zinc/99/32/29/526993229.db2.gz SRRODPDCOZNMTK-PKTZIBPZSA-N 2 1 425.548 3.450 50 0 IGAAMP CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c(OC)c1 ZINC000011814536 556358000 /nfs/dbraw/zinc/35/80/00/556358000.db2.gz BZTBPGRTYGODNF-QHCPKHFHSA-N 2 1 444.620 3.455 50 0 IGAAMP CC[NH+](Cc1cnn(C)c1)Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000011814536 556358002 /nfs/dbraw/zinc/35/80/02/556358002.db2.gz BZTBPGRTYGODNF-QHCPKHFHSA-N 2 1 444.620 3.455 50 0 IGAAMP CC[NH+](Cc1cnn(C)c1)Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000011814536 556358005 /nfs/dbraw/zinc/35/80/05/556358005.db2.gz BZTBPGRTYGODNF-QHCPKHFHSA-N 2 1 444.620 3.455 50 0 IGAAMP COc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1OC ZINC000015856073 556557525 /nfs/dbraw/zinc/55/75/25/556557525.db2.gz BYGOTZRGCUVXSG-UHFFFAOYSA-N 2 1 437.584 3.260 50 0 IGAAMP O=c1occ(C[N@H+]2CCc3ccccc3C2)c([O-])c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000101412515 557284314 /nfs/dbraw/zinc/28/43/14/557284314.db2.gz XCCJCKMXZCBKIW-UHFFFAOYSA-N 2 1 445.563 3.222 50 0 IGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000014975718 557294405 /nfs/dbraw/zinc/29/44/05/557294405.db2.gz BGLNCHCOIDMHPL-VWLOTQADSA-N 2 1 426.649 3.272 50 0 IGAAMP CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000014975718 557294409 /nfs/dbraw/zinc/29/44/09/557294409.db2.gz BGLNCHCOIDMHPL-VWLOTQADSA-N 3 1 426.649 3.272 50 0 IGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000014975718 557294413 /nfs/dbraw/zinc/29/44/13/557294413.db2.gz BGLNCHCOIDMHPL-VWLOTQADSA-N 3 1 426.649 3.272 50 0 IGAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]2CCO)CC1 ZINC000022851480 519670621 /nfs/dbraw/zinc/67/06/21/519670621.db2.gz PGRHEVVSCBBTEV-QHCPKHFHSA-N 2 1 446.039 3.472 50 0 IGAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]2CCO)CC1 ZINC000022851480 519670623 /nfs/dbraw/zinc/67/06/23/519670623.db2.gz PGRHEVVSCBBTEV-QHCPKHFHSA-N 2 1 446.039 3.472 50 0 IGAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000012597591 521654964 /nfs/dbraw/zinc/65/49/64/521654964.db2.gz FAESITWDVVZUIN-NRFANRHFSA-N 2 1 425.577 3.329 50 0 IGAAMP COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC[C@H](O)CN1CCC[N@@H+](C)CC1 ZINC000020782536 524073251 /nfs/dbraw/zinc/07/32/51/524073251.db2.gz HCWWFYHNUJPPNG-OAQYLSRUSA-N 2 1 448.007 3.016 50 0 IGAAMP COc1ccccc1C[N@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)C(=O)c2ccccc2)C1 ZINC000012442922 524448155 /nfs/dbraw/zinc/44/81/55/524448155.db2.gz UGPLNUPTUWSFIN-NRFANRHFSA-N 2 1 437.584 3.180 50 0 IGAAMP OCCOc1cccc(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1 ZINC000012281032 527558908 /nfs/dbraw/zinc/55/89/08/527558908.db2.gz NXNMOUBPTJCYBR-OAQYLSRUSA-N 2 1 442.629 3.415 50 0 IGAAMP COc1cc(C[N@H+](C)Cc2cnccn2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012073832 556396768 /nfs/dbraw/zinc/39/67/68/556396768.db2.gz INNFYUGWKBZFPU-QFIPXVFZSA-N 2 1 428.577 3.121 50 0 IGAAMP COc1cc(C[N@@H+](C)Cc2cnccn2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012073832 556396771 /nfs/dbraw/zinc/39/67/71/556396771.db2.gz INNFYUGWKBZFPU-QFIPXVFZSA-N 2 1 428.577 3.121 50 0 IGAAMP COc1cc(C[NH+](C)Cc2cnccn2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012073832 556396772 /nfs/dbraw/zinc/39/67/72/556396772.db2.gz INNFYUGWKBZFPU-QFIPXVFZSA-N 2 1 428.577 3.121 50 0 IGAAMP COc1cc(C[NH+](C)Cc2cnccn2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012073832 556396776 /nfs/dbraw/zinc/39/67/76/556396776.db2.gz INNFYUGWKBZFPU-QFIPXVFZSA-N 2 1 428.577 3.121 50 0 IGAAMP COc1cc(C[NH2+]CCc2cscn2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000014958321 556463165 /nfs/dbraw/zinc/46/31/65/556463165.db2.gz CRPWSSWAVMRXGO-OAQYLSRUSA-N 2 1 433.618 3.488 50 0 IGAAMP CC[NH+]1CCN(C[C@H](O)COc2ccc(C[N@@H+](C)Cc3ccc(C)cc3)cc2OC)CC1 ZINC000019606686 556831396 /nfs/dbraw/zinc/83/13/96/556831396.db2.gz JKMCBIGVANZNDQ-DEOSSOPVSA-N 2 1 441.616 3.013 50 0 IGAAMP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)N1CCCC1 ZINC000025259360 568649572 /nfs/dbraw/zinc/64/95/72/568649572.db2.gz DRHMBUFVTQDGKM-UHFFFAOYSA-N 2 1 437.584 3.451 50 0 IGAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@H]2CCO)CC1 ZINC000104482255 568837344 /nfs/dbraw/zinc/83/73/44/568837344.db2.gz QWSRIFXBPOWUCS-HXUWFJFHSA-N 2 1 429.527 3.327 50 0 IGAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@H]2CCO)CC1 ZINC000104482255 568837345 /nfs/dbraw/zinc/83/73/45/568837345.db2.gz QWSRIFXBPOWUCS-HXUWFJFHSA-N 2 1 429.527 3.327 50 0 IGAAMP COCC[N@@H+](Cc1ccc(OCCO)cc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012703181 523751628 /nfs/dbraw/zinc/75/16/28/523751628.db2.gz GJIGHVWXCRSKRK-HSZRJFAPSA-N 2 1 438.612 3.386 50 0 IGAAMP COCC[N@H+](Cc1ccc(OCCO)cc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012703181 523751633 /nfs/dbraw/zinc/75/16/33/523751633.db2.gz GJIGHVWXCRSKRK-HSZRJFAPSA-N 2 1 438.612 3.386 50 0 IGAAMP COCC[NH+](Cc1ccc(OCCO)cc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012703181 523751638 /nfs/dbraw/zinc/75/16/38/523751638.db2.gz GJIGHVWXCRSKRK-HSZRJFAPSA-N 2 1 438.612 3.386 50 0 IGAAMP COCC[NH+](Cc1ccc(OCCO)cc1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012703181 523751643 /nfs/dbraw/zinc/75/16/43/523751643.db2.gz GJIGHVWXCRSKRK-HSZRJFAPSA-N 2 1 438.612 3.386 50 0 IGAAMP COCCOC1CC[NH+](Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000012438760 523975776 /nfs/dbraw/zinc/97/57/76/523975776.db2.gz MFRIZSKELAVEGP-HSZRJFAPSA-N 2 1 434.621 3.318 50 0 IGAAMP CCc1ccc(C[N@@H+](C)Cc2cc(OC)ccc2OC[C@@H](O)C[NH+]2CCC(O)CC2)cc1 ZINC000011705658 556347614 /nfs/dbraw/zinc/34/76/14/556347614.db2.gz HTBNOURCSUTMEA-DEOSSOPVSA-N 2 1 442.600 3.086 50 0 IGAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000012429962 520977333 /nfs/dbraw/zinc/97/73/33/520977333.db2.gz OHHZMNFAMVFCFR-VQHVLOKHSA-N 2 1 429.605 3.372 50 0 IGAAMP COc1cc(C[N@H+](C)Cc2ccncn2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012747340 522355249 /nfs/dbraw/zinc/35/52/49/522355249.db2.gz AFFAHJNNPPTYBT-JOCHJYFZSA-N 2 1 428.577 3.123 50 0 IGAAMP COc1cc(C[N@@H+](C)Cc2ccncn2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012747340 522355259 /nfs/dbraw/zinc/35/52/59/522355259.db2.gz AFFAHJNNPPTYBT-JOCHJYFZSA-N 2 1 428.577 3.123 50 0 IGAAMP COc1cc(C[NH+]2CCC(CCO)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012749568 522370471 /nfs/dbraw/zinc/37/04/71/522370471.db2.gz OXQLBDTVNAGBKM-QHCPKHFHSA-N 2 1 434.621 3.294 50 0 IGAAMP OCCOc1ccc(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1 ZINC000012197471 527557858 /nfs/dbraw/zinc/55/78/58/527557858.db2.gz BGYXIDSLXSUJKM-NRFANRHFSA-N 2 1 442.629 3.415 50 0 IGAAMP CCOC(=O)c1[nH]c(C)c(C(=O)N(CC)CC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000011716819 556348525 /nfs/dbraw/zinc/34/85/25/556348525.db2.gz LITLCXCXUUZNDG-UHFFFAOYSA-N 2 1 432.609 3.077 50 0 IGAAMP COc1ccc(C[N@H+](C)Cc2cnc3ccccn23)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000055199668 556737566 /nfs/dbraw/zinc/73/75/66/556737566.db2.gz VVODPJIQXKIEOV-OAQYLSRUSA-N 2 1 426.561 3.055 50 0 IGAAMP COc1ccc(C[N@@H+](C)Cc2cnc3ccccn23)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000055199668 556737569 /nfs/dbraw/zinc/73/75/69/556737569.db2.gz VVODPJIQXKIEOV-OAQYLSRUSA-N 2 1 426.561 3.055 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2cnc3ccccn23)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000055199668 556737572 /nfs/dbraw/zinc/73/75/72/556737572.db2.gz VVODPJIQXKIEOV-OAQYLSRUSA-N 2 1 426.561 3.055 50 0 IGAAMP COc1ccc(C[NH+](C)Cc2cnc3ccccn23)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000055199668 556737576 /nfs/dbraw/zinc/73/75/76/556737576.db2.gz VVODPJIQXKIEOV-OAQYLSRUSA-N 2 1 426.561 3.055 50 0 IGAAMP Cc1cc(C)c(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(-n2cccn2)c1 ZINC000022918877 557046199 /nfs/dbraw/zinc/04/61/99/557046199.db2.gz JSLUZIRDBYYKIH-DEOSSOPVSA-N 2 1 439.648 3.231 50 0 IGAAMP Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000009069378 569500136 /nfs/dbraw/zinc/50/01/36/569500136.db2.gz YKNDFTIQBGZCCS-UHFFFAOYSA-N 2 1 448.611 3.426 50 0 IGAAMP