smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000003337008 132264336 /nfs/dbraw/zinc/26/43/36/132264336.db2.gz WUYMECFRIADVSH-UHFFFAOYSA-N 1 1 445.928 3.170 50 0 IGAAMO CSc1ccc([C@H]2[NH+]=C(N3CCN(c4ccccc4)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009264601 132311826 /nfs/dbraw/zinc/31/18/26/132311826.db2.gz MFCHGQFCJKATNA-QFIPXVFZSA-N 1 1 446.580 3.424 50 0 IGAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)COc4ccccc4)CC3)n2)cc1 ZINC000009573255 132321983 /nfs/dbraw/zinc/32/19/83/132321983.db2.gz CTXKXDSNUFNYKF-UHFFFAOYSA-N 1 1 433.512 3.265 50 0 IGAAMO C=Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000020998133 519306708 /nfs/dbraw/zinc/30/67/08/519306708.db2.gz UKFTWJAKXJBXAT-HSZRJFAPSA-N 1 1 433.552 3.481 50 0 IGAAMO CC(C)Cc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1 ZINC000020775723 519438109 /nfs/dbraw/zinc/43/81/09/519438109.db2.gz DOPQZYUYPWKEMK-UHFFFAOYSA-N 1 1 431.584 3.394 50 0 IGAAMO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012817078 519687592 /nfs/dbraw/zinc/68/75/92/519687592.db2.gz FQIDQSRFFRDPEO-FCHUYYIVSA-N 1 1 426.948 3.288 50 0 IGAAMO CC(C)NC(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000035456549 519709809 /nfs/dbraw/zinc/70/98/09/519709809.db2.gz DJDJMZIEDHSRGF-UHFFFAOYSA-N 1 1 434.515 3.132 50 0 IGAAMO CC(C)NC(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000035456549 519709811 /nfs/dbraw/zinc/70/98/11/519709811.db2.gz DJDJMZIEDHSRGF-UHFFFAOYSA-N 1 1 434.515 3.132 50 0 IGAAMO CC(C)[C@H](CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)[NH+]1CCOCC1 ZINC000012769006 519815605 /nfs/dbraw/zinc/81/56/05/519815605.db2.gz PIQYGOJIIAWLRS-OALUTQOASA-N 1 1 444.403 3.221 50 0 IGAAMO CCOC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560254 520512579 /nfs/dbraw/zinc/51/25/79/520512579.db2.gz JVUMCSGNSOZSIC-HSZRJFAPSA-N 1 1 440.588 3.116 50 0 IGAAMO CCOc1c(Cl)cc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1OC ZINC000012549650 520598653 /nfs/dbraw/zinc/59/86/53/520598653.db2.gz RXRNEYKKLFXMBK-LJQANCHMSA-N 1 1 443.891 3.355 50 0 IGAAMO CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CC1=O ZINC000021172147 521520325 /nfs/dbraw/zinc/52/03/25/521520325.db2.gz UAQXXVQGCGNSRF-IBGZPJMESA-N 1 1 434.540 3.288 50 0 IGAAMO CCOc1ccccc1NC(=O)COC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000032936252 521528135 /nfs/dbraw/zinc/52/81/35/521528135.db2.gz VAEGCGJUWOSLDD-QZTJIDSGSA-N 1 1 426.513 3.490 50 0 IGAAMO CCC(CC)[C@@H](CNC(=O)c1ccccc1I)[NH+]1CCOCC1 ZINC000022898635 521605101 /nfs/dbraw/zinc/60/51/01/521605101.db2.gz DEJPRXVWLKFFDD-QGZVFWFLSA-N 1 1 430.330 3.158 50 0 IGAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000020452652 522015951 /nfs/dbraw/zinc/01/59/51/522015951.db2.gz IGLIBBKUDSAKHC-UHFFFAOYSA-N 1 1 437.565 3.366 50 0 IGAAMO COc1cc(=O)n2c(c1C(=O)N(C)[C@@H](C)c1ccco1)CC[N@H+](Cc1ccccc1)CC2 ZINC000020598645 522017246 /nfs/dbraw/zinc/01/72/46/522017246.db2.gz BOXVCVABTQNJTL-SFHVURJKSA-N 1 1 435.524 3.341 50 0 IGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035459727 523021352 /nfs/dbraw/zinc/02/13/52/523021352.db2.gz ALRGMQKJPHZNOY-IBGZPJMESA-N 1 1 441.663 3.310 50 0 IGAAMO COCCCC1CC[NH+](Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)CC1 ZINC000012297493 523088731 /nfs/dbraw/zinc/08/87/31/523088731.db2.gz LDMWFDNCKVNBNZ-CALCHBBNSA-N 1 1 434.606 3.284 50 0 IGAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4nccs4)CC3)n2)cc1OC ZINC000020940429 523287485 /nfs/dbraw/zinc/28/74/85/523287485.db2.gz WBNMSIOXPXMEPB-UHFFFAOYSA-N 1 1 429.502 3.061 50 0 IGAAMO COc1ccc(-c2noc(CN3CC[NH+](Cc4cccc(C)c4)CC3)n2)c(OC)c1OC ZINC000020993537 523289029 /nfs/dbraw/zinc/28/90/29/523289029.db2.gz GQLQZXPQNWYVOK-UHFFFAOYSA-N 1 1 438.528 3.389 50 0 IGAAMO C[N@@H+]([C@@H]1CCOC1)C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000012247970 523623244 /nfs/dbraw/zinc/62/32/44/523623244.db2.gz XWTMCYHHHNOFOQ-JOCHJYFZSA-N 1 1 437.540 3.035 50 0 IGAAMO C[NH+]1CCN([C@@H](CNc2cnn(-c3ccccc3)c(=O)c2Cl)c2cccs2)CC1 ZINC000022918416 523918366 /nfs/dbraw/zinc/91/83/66/523918366.db2.gz FZRVHGHZXULIFM-SFHVURJKSA-N 1 1 429.977 3.348 50 0 IGAAMO Cc1cccc(CN2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2)c1 ZINC000022515562 524395640 /nfs/dbraw/zinc/39/56/40/524395640.db2.gz GZYHALPOGLTZDZ-QHCPKHFHSA-N 1 1 435.568 3.248 50 0 IGAAMO Cc1cccc(CN2CCN(C(=O)C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2)c1 ZINC000022515562 524395652 /nfs/dbraw/zinc/39/56/52/524395652.db2.gz GZYHALPOGLTZDZ-QHCPKHFHSA-N 1 1 435.568 3.248 50 0 IGAAMO COc1ccccc1C[N@@H+]1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000012164872 524455295 /nfs/dbraw/zinc/45/52/95/524455295.db2.gz DWIDYGTZYITXIQ-IBGZPJMESA-N 1 1 433.556 3.155 50 0 IGAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(C)c1 ZINC000020782855 524476028 /nfs/dbraw/zinc/47/60/28/524476028.db2.gz JXEOTBPZPSZBJN-HSZRJFAPSA-N 1 1 432.572 3.475 50 0 IGAAMO Cc1cccc(N2CC[NH+](CCNC(=O)C3=NN(c4cc(C)ccc4C)C(=O)CC3)CC2)c1 ZINC000036758127 524555598 /nfs/dbraw/zinc/55/55/98/524555598.db2.gz QAAAFTSBPJWXSO-UHFFFAOYSA-N 1 1 447.583 3.033 50 0 IGAAMO COc1ccccc1OCCNC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930173 524672752 /nfs/dbraw/zinc/67/27/52/524672752.db2.gz TVCBDLPOYQLSNM-UHFFFAOYSA-N 1 1 436.512 3.152 50 0 IGAAMO COc1ccc(OC)c(CNC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000040930046 524830969 /nfs/dbraw/zinc/83/09/69/524830969.db2.gz QZALTMLVWCLLFY-UHFFFAOYSA-N 1 1 436.512 3.282 50 0 IGAAMO COc1ccc([C@H]2CCC[N@H+]2CCOc2ccc(S(=O)(=O)N(C)C)cc2)c(OC)c1 ZINC000012799473 525414207 /nfs/dbraw/zinc/41/42/07/525414207.db2.gz NPYXDRDKUKRAOJ-OAQYLSRUSA-N 1 1 434.558 3.170 50 0 IGAAMO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012911859 525563080 /nfs/dbraw/zinc/56/30/80/525563080.db2.gz UMCICZRPMQTVAN-HXUWFJFHSA-N 1 1 435.977 3.122 50 0 IGAAMO Cc1c(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)sc2ncn(C)c(=O)c12 ZINC000022295444 525663417 /nfs/dbraw/zinc/66/34/17/525663417.db2.gz PVCUXJRNQMQPOE-RYUDHWBXSA-N 1 1 431.587 3.490 50 0 IGAAMO C[C@H](OC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000032936238 525891626 /nfs/dbraw/zinc/89/16/26/525891626.db2.gz FPOYNKYLCAXQBP-ZACQAIPSSA-N 1 1 440.496 3.209 50 0 IGAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000247827807 525932924 /nfs/dbraw/zinc/93/29/24/525932924.db2.gz JTUKBNQXECTJOR-ORQYLMBXSA-N 1 1 439.874 3.219 50 0 IGAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000247827807 525932933 /nfs/dbraw/zinc/93/29/33/525932933.db2.gz JTUKBNQXECTJOR-ORQYLMBXSA-N 1 1 439.874 3.219 50 0 IGAAMO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000022918387 526131958 /nfs/dbraw/zinc/13/19/58/526131958.db2.gz LCFHMYZEUYXTIL-QGZVFWFLSA-N 1 1 432.362 3.473 50 0 IGAAMO O=C(C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1)N1CCC[C@H](CO)C1 ZINC000012576955 526303888 /nfs/dbraw/zinc/30/38/88/526303888.db2.gz MFXJMOOGECMHCT-QHCPKHFHSA-N 1 1 427.633 3.027 50 0 IGAAMO O=C(C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCC[C@H](CO)C1 ZINC000012576955 526303893 /nfs/dbraw/zinc/30/38/93/526303893.db2.gz MFXJMOOGECMHCT-QHCPKHFHSA-N 1 1 427.633 3.027 50 0 IGAAMO O=C(CCC1CCN(C(=O)c2cscn2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012202630 526408968 /nfs/dbraw/zinc/40/89/68/526408968.db2.gz DYYKJQWOZXDYEK-HXUWFJFHSA-N 1 1 426.586 3.166 50 0 IGAAMO O=C([C@@H]1CC(c2cccc(Br)c2)=NO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012847775 526458337 /nfs/dbraw/zinc/45/83/37/526458337.db2.gz YXBRSKLIUSZIOM-FQEVSTJZSA-N 1 1 428.330 3.287 50 0 IGAAMO Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCCC[NH+]3CCOCC3)c(C)c21 ZINC000020757473 526778983 /nfs/dbraw/zinc/77/89/83/526778983.db2.gz DEOXNGRRERRTRB-UHFFFAOYSA-N 1 1 426.513 3.154 50 0 IGAAMO Cc1oc2c(cc3c(C)c(CC(=O)NCCC[NH+]4CCOCC4)c(=O)oc3c2C)c1C ZINC000020756261 526779017 /nfs/dbraw/zinc/77/90/17/526779017.db2.gz DZYJAXYQUQITEI-UHFFFAOYSA-N 1 1 426.513 3.154 50 0 IGAAMO O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000012816837 527001588 /nfs/dbraw/zinc/00/15/88/527001588.db2.gz YXALRGVIQSMXTB-LOSJGSFVSA-N 1 1 427.548 3.418 50 0 IGAAMO Cc1nn(C)c(C)c1CN(Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000012593896 527627305 /nfs/dbraw/zinc/62/73/05/527627305.db2.gz HVYHOCJGOTWXTH-QHCPKHFHSA-N 1 1 426.605 3.427 50 0 IGAAMO CCOc1ccc(CC(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)cc1 ZINC000010186650 535712574 /nfs/dbraw/zinc/71/25/74/535712574.db2.gz JJKBONQZCCKWIA-UHFFFAOYSA-N 1 1 431.540 3.475 50 0 IGAAMO Fc1ccc(NC(=S)N2CCO[C@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000034685845 555820956 /nfs/dbraw/zinc/82/09/56/555820956.db2.gz QVGXCTIXSZJFSH-OAQYLSRUSA-N 1 1 432.540 3.185 50 0 IGAAMO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=S)Nc4ccc(F)cc4)CCO3)CC2)c1 ZINC000034685847 555821000 /nfs/dbraw/zinc/82/10/00/555821000.db2.gz UXYLWPBQLARXAW-JOCHJYFZSA-N 1 1 444.576 3.054 50 0 IGAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccccc2OC)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740543 555883676 /nfs/dbraw/zinc/88/36/76/555883676.db2.gz YYCRONDSBPKGJX-FYYLOGMGSA-N 1 1 444.547 3.171 50 0 IGAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1ccccc1OC)C(=O)COC ZINC000034740635 555884023 /nfs/dbraw/zinc/88/40/23/555884023.db2.gz ZULUQXQZLLNGBF-NQIIRXRSSA-N 1 1 432.586 3.094 50 0 IGAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O ZINC000034811478 555909144 /nfs/dbraw/zinc/90/91/44/555909144.db2.gz VVOBTQXVVXCWRM-KRWDZBQOSA-N 1 1 443.979 3.187 50 0 IGAAMO CCC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000034829786 555911737 /nfs/dbraw/zinc/91/17/37/555911737.db2.gz NSYNKNBYCMTUSQ-UUOWRZLLSA-N 1 1 425.598 3.473 50 0 IGAAMO CCC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000034829786 555911740 /nfs/dbraw/zinc/91/17/40/555911740.db2.gz NSYNKNBYCMTUSQ-UUOWRZLLSA-N 1 1 425.598 3.473 50 0 IGAAMO COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000032747989 556316638 /nfs/dbraw/zinc/31/66/38/556316638.db2.gz KMSVWRGCCBPQBF-IBGZPJMESA-N 1 1 445.947 3.462 50 0 IGAAMO Cc1cccc(CN2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)n1 ZINC000011821733 556362868 /nfs/dbraw/zinc/36/28/68/556362868.db2.gz ALZIFGFMUAPVIT-UHFFFAOYSA-N 1 1 430.980 3.378 50 0 IGAAMO CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000032824591 556410099 /nfs/dbraw/zinc/41/00/99/556410099.db2.gz HQJCWPUSCITTJE-QZTJIDSGSA-N 1 1 434.540 3.195 50 0 IGAAMO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccccc2)C1 ZINC000014751647 556443634 /nfs/dbraw/zinc/44/36/34/556443634.db2.gz XTSGAQDLYCBXAO-LEWJYISDSA-N 1 1 436.531 3.425 50 0 IGAAMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014751647 556443636 /nfs/dbraw/zinc/44/36/36/556443636.db2.gz XTSGAQDLYCBXAO-LEWJYISDSA-N 1 1 436.531 3.425 50 0 IGAAMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccccc2)C1 ZINC000014751647 556443639 /nfs/dbraw/zinc/44/36/39/556443639.db2.gz XTSGAQDLYCBXAO-LEWJYISDSA-N 1 1 436.531 3.425 50 0 IGAAMO C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(NC4CC[NH+](CC(N)=O)CC4)c32)C1 ZINC000014855569 556450514 /nfs/dbraw/zinc/45/05/14/556450514.db2.gz HSBPWNULAAHPMZ-AWEZNQCLSA-N 1 1 436.585 3.240 50 0 IGAAMO COc1ccc2c(C)c(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)oc2c1OC ZINC000028349583 556453130 /nfs/dbraw/zinc/45/31/30/556453130.db2.gz BVARYDKLWCRADI-LPHOPBHVSA-N 1 1 428.529 3.042 50 0 IGAAMO C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029717371 556480507 /nfs/dbraw/zinc/48/05/07/556480507.db2.gz NROCOKRJMFVWMD-LJQANCHMSA-N 1 1 437.584 3.251 50 0 IGAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3c(C)nc4sccn43)C2)CC1 ZINC000015076584 556499581 /nfs/dbraw/zinc/49/95/81/556499581.db2.gz KCDHHAZAQYMVFG-SFHVURJKSA-N 1 1 439.585 3.140 50 0 IGAAMO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016000412 556572357 /nfs/dbraw/zinc/57/23/57/556572357.db2.gz DFAXQDXNKHEZMB-FBAVSBLXSA-N 1 1 443.837 3.049 50 0 IGAAMO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016000412 556572359 /nfs/dbraw/zinc/57/23/59/556572359.db2.gz DFAXQDXNKHEZMB-FBAVSBLXSA-N 1 1 443.837 3.049 50 0 IGAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016009671 556573615 /nfs/dbraw/zinc/57/36/15/556573615.db2.gz AUSBZHIMRLADKV-UAKAABGRSA-N 1 1 435.911 3.075 50 0 IGAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009671 556573617 /nfs/dbraw/zinc/57/36/17/556573617.db2.gz AUSBZHIMRLADKV-UAKAABGRSA-N 1 1 435.911 3.075 50 0 IGAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146501 556594165 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CC[C@@H](NC(=O)COc1ccc(CCC(C)=O)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000084727081 568800523 /nfs/dbraw/zinc/80/05/23/568800523.db2.gz WBJPBEGUBNFYLQ-JWQCQUIFSA-N 1 1 438.568 3.383 50 0 IGAAMO CC[C@@H](NC(=O)COc1ccc(CCC(C)=O)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000084727081 568800524 /nfs/dbraw/zinc/80/05/24/568800524.db2.gz WBJPBEGUBNFYLQ-JWQCQUIFSA-N 1 1 438.568 3.383 50 0 IGAAMO CCOC(=O)c1c(C)oc2nc(C)nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c21 ZINC000015727395 568812678 /nfs/dbraw/zinc/81/26/78/568812678.db2.gz PKWZIQPQSFCNRL-UHFFFAOYSA-N 1 1 438.484 3.067 50 0 IGAAMO C[C@H]1CC(=O)Nc2cc(S(=O)(=O)NCCC[N@@H+](C)Cc3ccccc3)ccc2S1 ZINC000015730568 568814074 /nfs/dbraw/zinc/81/40/74/568814074.db2.gz IJVYGEYRSXDPFV-INIZCTEOSA-N 1 1 433.599 3.310 50 0 IGAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000247854321 568918847 /nfs/dbraw/zinc/91/88/47/568918847.db2.gz CAJNLWNSIOWMER-QNGCPFJASA-N 1 1 449.938 3.494 50 0 IGAAMO 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429.542 3.317 50 0 IGAAMO CC(C)c1nc2c(c(=O)n1CC(=O)NCc1ccccc1F)C[N@@H+](Cc1ccccc1)CC2 ZINC000065153624 569112019 /nfs/dbraw/zinc/11/20/19/569112019.db2.gz AEDYPKOTEBZSCJ-UHFFFAOYSA-N 1 1 448.542 3.381 50 0 IGAAMO Cc1ccc(-c2nnc(N3CCC(C(=O)NCC[N@H+]4CCc5ccccc5C4)CC3)o2)cc1 ZINC000065229630 569118289 /nfs/dbraw/zinc/11/82/89/569118289.db2.gz AWGRZKLBZJUBLS-UHFFFAOYSA-N 1 1 445.567 3.436 50 0 IGAAMO O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1noc(C[NH+]2CCCCCCC2)n1 ZINC000065235920 569119338 /nfs/dbraw/zinc/11/93/38/569119338.db2.gz IMSBBWNQOKQAQQ-UHFFFAOYSA-N 1 1 436.491 3.500 50 0 IGAAMO CC[C@H]1CCCC[N@@H+]1Cc1nc(Cn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)no1 ZINC000065235981 569119691 /nfs/dbraw/zinc/11/96/91/569119691.db2.gz PNCQBBVTLDLGQX-SFHVURJKSA-N 1 1 448.527 3.367 50 0 IGAAMO CC[C@H]1CCCC[N@H+]1Cc1nc(Cn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)no1 ZINC000065235981 569119693 /nfs/dbraw/zinc/11/96/93/569119693.db2.gz PNCQBBVTLDLGQX-SFHVURJKSA-N 1 1 448.527 3.367 50 0 IGAAMO CC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[C@@H](CC)C[N@H+]1CC(C)(C)O ZINC000170606122 569143883 /nfs/dbraw/zinc/14/38/83/569143883.db2.gz XJLVBEJGGDSBOL-FCEUIQTBSA-N 1 1 447.595 3.150 50 0 IGAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000249697543 569155382 /nfs/dbraw/zinc/15/53/82/569155382.db2.gz UXADPAGYIDYXOP-YGWSKSRPSA-N 1 1 429.520 3.149 50 0 IGAAMO O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)NCCC[NH+]1CCCC1 ZINC000089779539 569162731 /nfs/dbraw/zinc/16/27/31/569162731.db2.gz PCTOTDJDZIOZSC-UHFFFAOYSA-N 1 1 441.542 3.003 50 0 IGAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)CC(=O)Nc2ccccc2Cl)CC1 ZINC000007728071 569198691 /nfs/dbraw/zinc/19/86/91/569198691.db2.gz IAXBZTYRGUQVQV-GOSISDBHSA-N 1 1 428.964 3.116 50 0 IGAAMO C[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3ccccc3Cl)CC2)CC1 ZINC000037525186 569198984 /nfs/dbraw/zinc/19/89/84/569198984.db2.gz UWQRADJQPLDRJM-UHFFFAOYSA-N 1 1 440.975 3.126 50 0 IGAAMO 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3.208 50 0 IGAAMO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000030030309 556489811 /nfs/dbraw/zinc/48/98/11/556489811.db2.gz LYACIRHYYGFTGC-SFHVURJKSA-N 1 1 446.477 3.208 50 0 IGAAMO O=C(C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)CC1)N1CCCCC1 ZINC000015321538 556520735 /nfs/dbraw/zinc/52/07/35/556520735.db2.gz PKIODWNMVSOAFL-GOSISDBHSA-N 1 1 437.462 3.062 50 0 IGAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032983956 556602949 /nfs/dbraw/zinc/60/29/49/556602949.db2.gz XIPDLXCLDPLNNJ-KGENOOAVSA-N 1 1 441.915 3.164 50 0 IGAAMO Cn1c(SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1-c1ccccc1F ZINC000032986408 556606064 /nfs/dbraw/zinc/60/60/64/556606064.db2.gz STDYJTWBBJPSGV-QGZVFWFLSA-N 1 1 425.533 3.104 50 0 IGAAMO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000039388451 556628496 /nfs/dbraw/zinc/62/84/96/556628496.db2.gz FAYHQOHACJHPIH-CQSZACIVSA-N 1 1 433.434 3.439 50 0 IGAAMO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000039388451 556628497 /nfs/dbraw/zinc/62/84/97/556628497.db2.gz FAYHQOHACJHPIH-CQSZACIVSA-N 1 1 433.434 3.439 50 0 IGAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000409415050 556641720 /nfs/dbraw/zinc/64/17/20/556641720.db2.gz SAHUXLQJUMGPKJ-KNQAVFIVSA-N 1 1 440.588 3.398 50 0 IGAAMO CC(C)C(=O)N1CC[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000033015079 556665068 /nfs/dbraw/zinc/66/50/68/556665068.db2.gz GHDLBCMLUIIKMG-QFIPXVFZSA-N 1 1 432.511 3.232 50 0 IGAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc(OC)c3OC)C[C@@H]2CCO)c(C)c1C ZINC000019225962 556717093 /nfs/dbraw/zinc/71/70/93/556717093.db2.gz QJNWQFFHBZBXGJ-QFIPXVFZSA-N 1 1 428.573 3.398 50 0 IGAAMO Cc1ccc(CNC(=O)[C@@H]2C[C@@H](n3cnnn3)C[N@@H+]2Cc2cc3ccccc3s2)cc1 ZINC000055071588 556733645 /nfs/dbraw/zinc/73/36/45/556733645.db2.gz YFYYUQLNZUETPK-CTNGQTDRSA-N 1 1 432.553 3.328 50 0 IGAAMO 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CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@@]23c2cccc(C)c2NC3=O)cc1 ZINC000061999528 556764078 /nfs/dbraw/zinc/76/40/78/556764078.db2.gz QMRDWBOJBXXNFN-NNPDTBDGSA-N 1 1 433.508 3.442 50 0 IGAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000058761561 556791780 /nfs/dbraw/zinc/79/17/80/556791780.db2.gz BPSUMDRZZCFHSX-NZQKXSOJSA-N 1 1 447.535 3.476 50 0 IGAAMO COc1ccc(NC(=O)c2nnc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)s2)cc1 ZINC000033060160 556816517 /nfs/dbraw/zinc/81/65/17/556816517.db2.gz KBRIZUXKNOYQBZ-UHFFFAOYSA-N 1 1 439.541 3.051 50 0 IGAAMO O=C(CN1C(=O)c2ccccc2C1=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019607381 556831326 /nfs/dbraw/zinc/83/13/26/556831326.db2.gz MXHPQDGTUJSDAO-UHFFFAOYSA-N 1 1 437.499 3.197 50 0 IGAAMO O=C(COc1cccc(Cl)c1)N1CCC[N@@H+]([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097138720 556991982 /nfs/dbraw/zinc/99/19/82/556991982.db2.gz GYLMJMNLAQEHRL-QFIPXVFZSA-N 1 1 441.959 3.054 50 0 IGAAMO O=C(COc1cccc(Cl)c1)N1CCC[N@H+]([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097138720 556991987 /nfs/dbraw/zinc/99/19/87/556991987.db2.gz GYLMJMNLAQEHRL-QFIPXVFZSA-N 1 1 441.959 3.054 50 0 IGAAMO COc1cccc(O[C@H]2C(=O)N(CCCC[NH+]3CCOCC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000048248983 557048223 /nfs/dbraw/zinc/04/82/23/557048223.db2.gz AYQDPZKKAZAQNI-DNQXCXABSA-N 1 1 440.540 3.147 50 0 IGAAMO COc1cccc(O[C@H]2C(=O)N(CCCC[NH+]3CCOCC3)[C@H]2c2cccc(OC)c2)c1 ZINC000048248988 557048368 /nfs/dbraw/zinc/04/83/68/557048368.db2.gz AYQDPZKKAZAQNI-BJKOFHAPSA-N 1 1 440.540 3.147 50 0 IGAAMO CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)CN2CC[NH+](C)CC2)CCC3)cc1 ZINC000022939704 557053787 /nfs/dbraw/zinc/05/37/87/557053787.db2.gz BLVFGGCQXVROSF-UHFFFAOYSA-N 1 1 442.585 3.074 50 0 IGAAMO COc1ccc(N(CCC(N)=O)C(=O)C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)cc1 ZINC000048280272 557057874 /nfs/dbraw/zinc/05/78/74/557057874.db2.gz YIXJZADNZACEIR-KRWDZBQOSA-N 1 1 447.938 3.403 50 0 IGAAMO COc1ccc(N(CCC(N)=O)C(=O)C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)cc1 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ZINC000035870703 526569040 /nfs/dbraw/zinc/56/90/40/526569040.db2.gz NUZUJBZGCYFDJB-GMAHTHKFSA-N 1 1 425.573 3.264 50 0 IGAAMO O=C(c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012636768 526696902 /nfs/dbraw/zinc/69/69/02/526696902.db2.gz OYEFOIIHPSWICT-GOTSBHOMSA-N 1 1 431.536 3.324 50 0 IGAAMO O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012854264 526704916 /nfs/dbraw/zinc/70/49/16/526704916.db2.gz YRZXCDVYTIMOIS-UHFFFAOYSA-N 1 1 449.576 3.226 50 0 IGAAMO O=C(NCc1cccs1)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908074 526780877 /nfs/dbraw/zinc/78/08/77/526780877.db2.gz JRFBFPNIUIBOKN-IBGZPJMESA-N 1 1 425.579 3.342 50 0 IGAAMO O=C(NCc1cccs1)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908074 526780880 /nfs/dbraw/zinc/78/08/80/526780880.db2.gz JRFBFPNIUIBOKN-IBGZPJMESA-N 1 1 425.579 3.342 50 0 IGAAMO O=C(c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1)N(CC1CC1)C[C@H]1CCCO1 ZINC000020598291 526897944 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427.520 3.270 50 0 IGAAMO COc1cc(OC)cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)c1 ZINC000034676393 555794476 /nfs/dbraw/zinc/79/44/76/555794476.db2.gz FMAQRRMURYCSCI-IBGZPJMESA-N 1 1 427.520 3.270 50 0 IGAAMO CC(C)(C)c1cc2nc(C(=O)NCCC[NH+]3CCOCC3)cc(-c3ccccc3F)n2n1 ZINC000034832468 555912885 /nfs/dbraw/zinc/91/28/85/555912885.db2.gz VEBAEIOFIZJLKJ-UHFFFAOYSA-N 1 1 439.535 3.285 50 0 IGAAMO CCOC(=O)c1ccc(NC(=S)N2CC[NH+](CCc3ccc(OC)cc3)CC2)cc1 ZINC000004708759 556007279 /nfs/dbraw/zinc/00/72/79/556007279.db2.gz MQKFHBVDKBHNEU-UHFFFAOYSA-N 1 1 427.570 3.429 50 0 IGAAMO Cc1c(CCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)c2ccccc2n1-c1ccccc1 ZINC000011821259 556362820 /nfs/dbraw/zinc/36/28/20/556362820.db2.gz DWZYVPDIELQUBF-XMMPIXPASA-N 1 1 432.568 3.197 50 0 IGAAMO Cc1c(CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)c2ccccc2n1-c1ccccc1 ZINC000011821259 556362823 /nfs/dbraw/zinc/36/28/23/556362823.db2.gz DWZYVPDIELQUBF-XMMPIXPASA-N 1 1 432.568 3.197 50 0 IGAAMO CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000032824587 556410191 /nfs/dbraw/zinc/41/01/91/556410191.db2.gz HQJCWPUSCITTJE-HDICACEKSA-N 1 1 434.540 3.195 50 0 IGAAMO CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000032824587 556410194 /nfs/dbraw/zinc/41/01/94/556410194.db2.gz HQJCWPUSCITTJE-HDICACEKSA-N 1 1 434.540 3.195 50 0 IGAAMO Cc1cc(N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1[NH+]1CCCC1 ZINC000032853731 556432232 /nfs/dbraw/zinc/43/22/32/556432232.db2.gz PBJZHVOAZVROOH-QGZVFWFLSA-N 1 1 430.574 3.285 50 0 IGAAMO CC[NH+]1CCN(C2(CNC(=O)COc3ccc(Br)cc3)CCCCC2)CC1 ZINC000028403036 556453762 /nfs/dbraw/zinc/45/37/62/556453762.db2.gz COGFHVUFEDKOMH-UHFFFAOYSA-N 1 1 438.410 3.285 50 0 IGAAMO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000029095369 556467388 /nfs/dbraw/zinc/46/73/88/556467388.db2.gz IDGJXFDAKAEGQA-DEOSSOPVSA-N 1 1 436.531 3.089 50 0 IGAAMO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000029095369 556467392 /nfs/dbraw/zinc/46/73/92/556467392.db2.gz IDGJXFDAKAEGQA-DEOSSOPVSA-N 1 1 436.531 3.089 50 0 IGAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)cc1 ZINC000014994120 556476844 /nfs/dbraw/zinc/47/68/44/556476844.db2.gz HYROXLPAZRQKBT-QFIPXVFZSA-N 1 1 448.571 3.257 50 0 IGAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(OC(C)C)cc2)CC3)cc1 ZINC000014997721 556478699 /nfs/dbraw/zinc/47/86/99/556478699.db2.gz PLHUXLAKZYEFJF-UHFFFAOYSA-N 1 1 447.583 3.405 50 0 IGAAMO COc1ccc([C@H]2[C@H](COC(=O)CCn3cnc4ccccc4c3=O)CCC[N@H+]2C)cc1 ZINC000072289687 556484231 /nfs/dbraw/zinc/48/42/31/556484231.db2.gz SBROSZQWWFPFKH-CYFREDJKSA-N 1 1 435.524 3.422 50 0 IGAAMO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]3CCCC[C@H]32)c(Cl)cc1Cl ZINC000015023570 556488446 /nfs/dbraw/zinc/48/84/46/556488446.db2.gz RCTJTKDCQITONR-AFAVFJNCSA-N 1 1 448.416 3.236 50 0 IGAAMO COCc1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc43)C2)o1 ZINC000015069076 556494614 /nfs/dbraw/zinc/49/46/14/556494614.db2.gz RGKNKEMQBQMTEP-KRWDZBQOSA-N 1 1 429.542 3.165 50 0 IGAAMO COCc1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc43)C2)o1 ZINC000015069076 556494615 /nfs/dbraw/zinc/49/46/15/556494615.db2.gz RGKNKEMQBQMTEP-KRWDZBQOSA-N 1 1 429.542 3.165 50 0 IGAAMO CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C\CC[NH+]1CCN(C)CC1)c1ccccc1S2 ZINC000030690433 556501984 /nfs/dbraw/zinc/50/19/84/556501984.db2.gz GFBKORZTTCHDGY-UWVJOHFNSA-N 1 1 443.638 3.471 50 0 fda IGAAMO O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000015679193 556543097 /nfs/dbraw/zinc/54/30/97/556543097.db2.gz AKHGCZQVFODUKO-UHFFFAOYSA-N 1 1 449.507 3.152 50 0 IGAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009623 556573676 /nfs/dbraw/zinc/57/36/76/556573676.db2.gz JPWVYQNPKQTGBS-KKPNIWNPSA-N 1 1 429.520 3.297 50 0 IGAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016033608 556577094 /nfs/dbraw/zinc/57/70/94/556577094.db2.gz LCYCYKCRGGTNNL-VKDGWMQASA-N 1 1 435.911 3.186 50 0 IGAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1-c1cc(=O)[nH]c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000036235648 556595044 /nfs/dbraw/zinc/59/50/44/556595044.db2.gz JNNACVUCZVREMW-UHFFFAOYSA-N 1 1 445.449 3.050 50 0 IGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 ZINC000409414819 556640489 /nfs/dbraw/zinc/64/04/89/556640489.db2.gz OYAHLUCCWAKOQL-UCKMRUJXSA-N 1 1 441.616 3.336 50 0 IGAAMO CC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000033015072 556665058 /nfs/dbraw/zinc/66/50/58/556665058.db2.gz QGFWFRRFCPJSCN-INIZCTEOSA-N 1 1 445.903 3.117 50 0 IGAAMO CC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000033015072 556665060 /nfs/dbraw/zinc/66/50/60/556665060.db2.gz QGFWFRRFCPJSCN-INIZCTEOSA-N 1 1 445.903 3.117 50 0 IGAAMO C[C@@H](OC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000032936242 556678430 /nfs/dbraw/zinc/67/84/30/556678430.db2.gz FPOYNKYLCAXQBP-BRWVUGGUSA-N 1 1 440.496 3.209 50 0 IGAAMO C[C@H](OC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000032936240 556678545 /nfs/dbraw/zinc/67/85/45/556678545.db2.gz FPOYNKYLCAXQBP-BBWFWOEESA-N 1 1 440.496 3.209 50 0 IGAAMO C[C@H](OC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000032936240 556678547 /nfs/dbraw/zinc/67/85/47/556678547.db2.gz FPOYNKYLCAXQBP-BBWFWOEESA-N 1 1 440.496 3.209 50 0 IGAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000253389834 556696914 /nfs/dbraw/zinc/69/69/14/556696914.db2.gz OITGREQAXLVEJB-KEXUJGGDSA-N 1 1 439.874 3.219 50 0 IGAAMO O=C([C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000019146992 556706811 /nfs/dbraw/zinc/70/68/11/556706811.db2.gz ZWEHVHSTKGBUPB-NRFANRHFSA-N 1 1 440.975 3.208 50 0 IGAAMO O=C([C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000019146992 556706814 /nfs/dbraw/zinc/70/68/14/556706814.db2.gz ZWEHVHSTKGBUPB-NRFANRHFSA-N 1 1 440.975 3.208 50 0 IGAAMO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000060359666 556732106 /nfs/dbraw/zinc/73/21/06/556732106.db2.gz KOCIFHMGJPGBLR-LJQANCHMSA-N 1 1 428.602 3.408 50 0 IGAAMO CCC[NH+]1CCC(CC(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)CC1 ZINC000055154366 556736270 /nfs/dbraw/zinc/73/62/70/556736270.db2.gz UTLYRVOJJWTXLN-DEOSSOPVSA-N 1 1 430.612 3.451 50 0 IGAAMO COCC[N@H+](C)Cc1ccnc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c1 ZINC000079018659 556737633 /nfs/dbraw/zinc/73/76/33/556737633.db2.gz RPYZXOYBXMWBKV-QGZVFWFLSA-N 1 1 434.949 3.255 50 0 IGAAMO COCC[N@@H+](C)Cc1ccnc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c1 ZINC000079018659 556737634 /nfs/dbraw/zinc/73/76/34/556737634.db2.gz RPYZXOYBXMWBKV-QGZVFWFLSA-N 1 1 434.949 3.255 50 0 IGAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cccc(NC(C)=O)c3)C2)CC1 ZINC000055576244 556742738 /nfs/dbraw/zinc/74/27/38/556742738.db2.gz CHJNPCKROFAFMH-QFIPXVFZSA-N 1 1 436.556 3.080 50 0 IGAAMO CCN1CCN(c2ncnc3sc(C(=O)NCCC[NH+]4CCCCCC4)c(C)c32)CC1 ZINC000033048370 556744671 /nfs/dbraw/zinc/74/46/71/556744671.db2.gz XNQMWBNLFZCLBU-UHFFFAOYSA-N 1 1 444.649 3.138 50 0 IGAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019372294 556748851 /nfs/dbraw/zinc/74/88/51/556748851.db2.gz FYKQLIUBDQREND-UHFFFAOYSA-N 1 1 440.931 3.364 50 0 IGAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+](CCOC)[C@@H](C)c2ccccc2)c1 ZINC000058310875 556779850 /nfs/dbraw/zinc/77/98/50/556779850.db2.gz LZXMIJDNIZTTOU-IBGZPJMESA-N 1 1 447.601 3.365 50 0 IGAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](CCOC)[C@@H](C)c2ccccc2)c1 ZINC000058310875 556779851 /nfs/dbraw/zinc/77/98/51/556779851.db2.gz LZXMIJDNIZTTOU-IBGZPJMESA-N 1 1 447.601 3.365 50 0 IGAAMO COc1ccc(CCNC(=O)C[N@H+]2CCC[C@@H](COCc3ccccc3)C2)cc1OC ZINC000062161801 556797919 /nfs/dbraw/zinc/79/79/19/556797919.db2.gz CWRUCXPZVJHWHY-JOCHJYFZSA-N 1 1 426.557 3.291 50 0 IGAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033061952 556817455 /nfs/dbraw/zinc/81/74/55/556817455.db2.gz LINRQJMPISGSEU-OAHLLOKOSA-N 1 1 433.553 3.243 50 0 IGAAMO Cc1ncsc1C(=O)N1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000067805967 556846986 /nfs/dbraw/zinc/84/69/86/556846986.db2.gz LPCIBFIKPQLFNF-OAQYLSRUSA-N 1 1 440.613 3.428 50 0 IGAAMO COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCC[N@@H+](C)Cc4ccccc4)C3)n2)cc1 ZINC000033249504 556889392 /nfs/dbraw/zinc/88/93/92/556889392.db2.gz RSXBUYYUFDIUSW-NRFANRHFSA-N 1 1 449.555 3.210 50 0 IGAAMO C[N@@H+](CCCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1)C1CCCCC1 ZINC000033256200 556895227 /nfs/dbraw/zinc/89/52/27/556895227.db2.gz XSFUFXRIFFIZQQ-UHFFFAOYSA-N 1 1 442.652 3.454 50 0 IGAAMO C[N@@H+](Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21)C[C@H]1COCCO1 ZINC000019839721 556929205 /nfs/dbraw/zinc/92/92/05/556929205.db2.gz 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COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)NCc4ccccc4)C3)n2)cc1OC ZINC000015726246 568812353 /nfs/dbraw/zinc/81/23/53/568812353.db2.gz DKMUOGPLIYURQU-IBGZPJMESA-N 1 1 436.512 3.282 50 0 IGAAMO C[C@@H]1CSc2ccc(S(=O)(=O)NCCC[N@H+]3CCc4ccccc4C3)cc2NC1=O ZINC000015731166 568814708 /nfs/dbraw/zinc/81/47/08/568814708.db2.gz DBHGGZGGLREJJK-MRXNPFEDSA-N 1 1 445.610 3.094 50 0 IGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000583652762 568837756 /nfs/dbraw/zinc/83/77/56/568837756.db2.gz YTSZHHLZYOSNQG-HJOGWXRNSA-N 1 1 441.616 3.165 50 0 IGAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2C1 ZINC000015880169 568854087 /nfs/dbraw/zinc/85/40/87/568854087.db2.gz MCOSJKGKSHLQNF-UHFFFAOYSA-N 1 1 448.614 3.194 50 0 IGAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2C1 ZINC000015880169 568854089 /nfs/dbraw/zinc/85/40/89/568854089.db2.gz MCOSJKGKSHLQNF-UHFFFAOYSA-N 1 1 448.614 3.194 50 0 IGAAMO 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527530090 /nfs/dbraw/zinc/53/00/90/527530090.db2.gz ORONMJNMAGDYNC-OAHLLOKOSA-N 1 1 426.498 3.383 50 0 IGAAMO CC(C)OC[C@@H](O)C[N@H+]1CCCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1 ZINC000034682260 555816095 /nfs/dbraw/zinc/81/60/95/555816095.db2.gz GQEBOQIREJVUIM-SRLUVNLFSA-N 1 1 438.572 3.032 50 0 IGAAMO CC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]1C ZINC000034830263 555911763 /nfs/dbraw/zinc/91/17/63/555911763.db2.gz JPBSWCCJEULJAV-KOSHJBKYSA-N 1 1 425.598 3.473 50 0 IGAAMO CCCN1CCC([N@@H+]2CCC[C@@H](C(=O)N(C)CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000004177219 555973726 /nfs/dbraw/zinc/97/37/26/555973726.db2.gz MLILDHGKOQQMFA-OAQYLSRUSA-N 1 1 431.621 3.291 50 0 IGAAMO CCCN1CCC([N@H+]2CCC[C@@H](C(=O)N(C)CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000004177219 555973730 /nfs/dbraw/zinc/97/37/30/555973730.db2.gz MLILDHGKOQQMFA-OAQYLSRUSA-N 1 1 431.621 3.291 50 0 IGAAMO CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000013687304 556277059 /nfs/dbraw/zinc/27/70/59/556277059.db2.gz YZRAEJKXZVXYOZ-CLCOLTQESA-N 1 1 435.568 3.419 50 0 IGAAMO CCOC(=O)C1CCN(Cc2ccccc2OC[C@@H](O)C[N@H+](C)C2CCCCC2)CC1 ZINC000011770360 556350232 /nfs/dbraw/zinc/35/02/32/556350232.db2.gz LJXWKRWFCPDBHV-QHCPKHFHSA-N 1 1 432.605 3.466 50 0 IGAAMO CCOC(=O)C1CCN(Cc2ccccc2OC[C@@H](O)C[N@@H+](C)C2CCCCC2)CC1 ZINC000011770360 556350234 /nfs/dbraw/zinc/35/02/34/556350234.db2.gz LJXWKRWFCPDBHV-QHCPKHFHSA-N 1 1 432.605 3.466 50 0 IGAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 ZINC000014881747 556453916 /nfs/dbraw/zinc/45/39/16/556453916.db2.gz KIJDPPWAZCKQKT-QHCPKHFHSA-N 1 1 432.572 3.421 50 0 IGAAMO CC(C)n1cc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc43)C2)cn1 ZINC000014952200 556460614 /nfs/dbraw/zinc/46/06/14/556460614.db2.gz QNAGCQAWNWMBDI-SFHVURJKSA-N 1 1 427.574 3.203 50 0 IGAAMO CC(C)n1cc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc43)C2)cn1 ZINC000014952200 556460620 /nfs/dbraw/zinc/46/06/20/556460620.db2.gz QNAGCQAWNWMBDI-SFHVURJKSA-N 1 1 427.574 3.203 50 0 IGAAMO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000028954914 556464797 /nfs/dbraw/zinc/46/47/97/556464797.db2.gz ZMTAGIQOLYRUFE-GXTWGEPZSA-N 1 1 445.372 3.147 50 0 IGAAMO CCOc1ccccc1C[NH+]1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000014978653 556469890 /nfs/dbraw/zinc/46/98/90/556469890.db2.gz UAPVMAUUAIGUTI-FQEVSTJZSA-N 1 1 449.551 3.183 50 0 IGAAMO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3cccc4cc(C)cnc43)CC2)cc1 ZINC000029377792 556474061 /nfs/dbraw/zinc/47/40/61/556474061.db2.gz JQAZJERDRXDTGM-UHFFFAOYSA-N 1 1 425.554 3.448 50 0 IGAAMO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3cccc4cc(C)cnc43)CC2)cc1 ZINC000029377792 556474064 /nfs/dbraw/zinc/47/40/64/556474064.db2.gz JQAZJERDRXDTGM-UHFFFAOYSA-N 1 1 425.554 3.448 50 0 IGAAMO COc1cc(CN(C)Cc2cnn(C)c2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000015071494 556496411 /nfs/dbraw/zinc/49/64/11/556496411.db2.gz QNOWXKDPWPNRDU-JOCHJYFZSA-N 1 1 430.593 3.065 50 0 IGAAMO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000072293175 556502970 /nfs/dbraw/zinc/50/29/70/556502970.db2.gz UOVUGERKXLQJOX-JOCHJYFZSA-N 1 1 430.637 3.012 50 0 IGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)COc1ccc2c(c1)occ(-c1ccc(OC)cc1)c2=O ZINC000013550175 556514925 /nfs/dbraw/zinc/51/49/25/556514925.db2.gz KKQMJJLROBQJSM-SFHVURJKSA-N 1 1 436.508 3.448 50 0 IGAAMO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000016051102 556581490 /nfs/dbraw/zinc/58/14/90/556581490.db2.gz WYMOAOLYCFSMHY-FQEVSTJZSA-N 1 1 427.526 3.137 50 0 IGAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000039393742 556628474 /nfs/dbraw/zinc/62/84/74/556628474.db2.gz MGTUTWHRNCGJJN-RTWAWAEBSA-N 1 1 447.535 3.039 50 0 IGAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000039393742 556628476 /nfs/dbraw/zinc/62/84/76/556628476.db2.gz MGTUTWHRNCGJJN-RTWAWAEBSA-N 1 1 447.535 3.039 50 0 IGAAMO Cc1nn(-c2ccccn2)c2ncc(C(=O)NC[C@H](C)[N@H+]3CCc4ccccc4C3)cc12 ZINC000032922048 556647375 /nfs/dbraw/zinc/64/73/75/556647375.db2.gz XZUSVFACOXWVFX-KRWDZBQOSA-N 1 1 426.524 3.301 50 0 IGAAMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000252517177 556690998 /nfs/dbraw/zinc/69/09/98/556690998.db2.gz BJRLCIXXQJXXFE-SIKLNZKXSA-N 1 1 425.916 3.164 50 0 IGAAMO C[N@H+]1CC[C@H](NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000252517177 556691000 /nfs/dbraw/zinc/69/10/00/556691000.db2.gz BJRLCIXXQJXXFE-SIKLNZKXSA-N 1 1 425.916 3.164 50 0 IGAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)CC1 ZINC000055053253 556732643 /nfs/dbraw/zinc/73/26/43/556732643.db2.gz WRJBSGAYMBQEOB-LJQANCHMSA-N 1 1 428.602 3.124 50 0 IGAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)CCCc2nnc(-c3ccccc3)o2)C1 ZINC000078720383 556735272 /nfs/dbraw/zinc/73/52/72/556735272.db2.gz SNUBGPLTFNXMPJ-FQEVSTJZSA-N 1 1 447.539 3.395 50 0 IGAAMO COc1ccc(OC)c(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000055198328 556737708 /nfs/dbraw/zinc/73/77/08/556737708.db2.gz OOURECOPWXANJP-HXUWFJFHSA-N 1 1 427.520 3.270 50 0 IGAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cccc(NC(C)=O)c3)C2)CC1 ZINC000055576246 556742848 /nfs/dbraw/zinc/74/28/48/556742848.db2.gz CHJNPCKROFAFMH-JOCHJYFZSA-N 1 1 436.556 3.080 50 0 IGAAMO C[NH+](C)[C@H](CN1C(=O)c2cc(Br)ccc2S1(=O)=O)c1cccc(F)c1 ZINC000058003776 556752163 /nfs/dbraw/zinc/75/21/63/556752163.db2.gz IKIVOKKEOVIQCM-OAHLLOKOSA-N 1 1 427.295 3.036 50 0 IGAAMO CC[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000058144359 556761432 /nfs/dbraw/zinc/76/14/32/556761432.db2.gz GCTMYXVBEVNCCE-LADGPHEKSA-N 1 1 435.616 3.278 50 0 IGAAMO CCN(CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000058144359 556761434 /nfs/dbraw/zinc/76/14/34/556761434.db2.gz GCTMYXVBEVNCCE-LADGPHEKSA-N 1 1 435.616 3.278 50 0 IGAAMO CCN(CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000058144359 556761436 /nfs/dbraw/zinc/76/14/36/556761436.db2.gz GCTMYXVBEVNCCE-LADGPHEKSA-N 1 1 435.616 3.278 50 0 IGAAMO CCOc1ccc(OCCNC(=O)C[N@@H+](Cc2cccc(O)c2)C2CCC(O)CC2)cc1 ZINC000058175143 556769077 /nfs/dbraw/zinc/76/90/77/556769077.db2.gz KDMJVILYBPJFME-UHFFFAOYSA-N 1 1 442.556 3.092 50 0 IGAAMO C[C@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000058434766 556788147 /nfs/dbraw/zinc/78/81/47/556788147.db2.gz QEGALPRRMDKWHL-KSZLIROESA-N 1 1 438.638 3.054 50 0 IGAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000058761551 556791710 /nfs/dbraw/zinc/79/17/10/556791710.db2.gz BPSUMDRZZCFHSX-OFNKIYASSA-N 1 1 447.535 3.476 50 0 IGAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1)N1CCN(c2ccccn2)CC1 ZINC000067789875 556846688 /nfs/dbraw/zinc/84/66/88/556846688.db2.gz APOAINWQWNIOEO-OAQYLSRUSA-N 1 1 434.584 3.358 50 0 IGAAMO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000067834404 556846889 /nfs/dbraw/zinc/84/68/89/556846889.db2.gz RWAJEYWEXHTPJN-UHFFFAOYSA-N 1 1 434.483 3.393 50 0 IGAAMO COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCC[N@@H+](C)Cc4ccccc4)C3)n2)cc1 ZINC000033249503 556889353 /nfs/dbraw/zinc/88/93/53/556889353.db2.gz RSXBUYYUFDIUSW-OAQYLSRUSA-N 1 1 449.555 3.210 50 0 IGAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260995 556898079 /nfs/dbraw/zinc/89/80/79/556898079.db2.gz ZLNLUFOMFILDDC-UHFFFAOYSA-N 1 1 435.503 3.478 50 0 IGAAMO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@@H+](Cc2cc(F)cc(F)c2)CC3)c1 ZINC000019838677 556928699 /nfs/dbraw/zinc/92/86/99/556928699.db2.gz ZXCKCBFDPRKOFU-OAHLLOKOSA-N 1 1 441.482 3.114 50 0 IGAAMO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@H+](Cc2cc(F)cc(F)c2)CC3)c1 ZINC000019838677 556928700 /nfs/dbraw/zinc/92/87/00/556928700.db2.gz ZXCKCBFDPRKOFU-OAHLLOKOSA-N 1 1 441.482 3.114 50 0 IGAAMO COc1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc(OC)c1 ZINC000020119242 556987556 /nfs/dbraw/zinc/98/75/56/556987556.db2.gz LRVCLHASEWZTEJ-NRFANRHFSA-N 1 1 425.573 3.499 50 0 IGAAMO COc1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)cc(OC)c1 ZINC000020119242 556987559 /nfs/dbraw/zinc/98/75/59/556987559.db2.gz LRVCLHASEWZTEJ-NRFANRHFSA-N 1 1 425.573 3.499 50 0 IGAAMO O=C(Nc1ccc(N2CCOCC2)[nH+]c1N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000020223937 557000563 /nfs/dbraw/zinc/00/05/63/557000563.db2.gz MATULFSLMXEROA-UHFFFAOYSA-N 1 1 436.434 3.026 50 0 IGAAMO O=C1NC2(CCCCC2)C(=O)N1CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023257168 557079532 /nfs/dbraw/zinc/07/95/32/557079532.db2.gz CEEFILADUBJPHI-UHFFFAOYSA-N 1 1 438.494 3.425 50 0 IGAAMO CC(C)c1ccc(S(=O)(=O)c2cnc(N3CC[NH+](C4CCCCC4)CC3)nc2N)cc1 ZINC000033301976 557083719 /nfs/dbraw/zinc/08/37/19/557083719.db2.gz JXLYRZDOASRIOV-UHFFFAOYSA-N 1 1 443.617 3.470 50 0 IGAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCc3ccc(Cl)cc3)c2)CC1 ZINC000023358893 557087610 /nfs/dbraw/zinc/08/76/10/557087610.db2.gz NZKQWHSRORVFGH-HSZRJFAPSA-N 1 1 432.008 3.050 50 0 IGAAMO COc1ccc(Nc2cc(C)[nH+]c(NCCNC(=O)Cn3cnc4ccccc43)n2)cc1 ZINC000049422548 557109616 /nfs/dbraw/zinc/10/96/16/557109616.db2.gz RAYCPQRIAIYNPH-UHFFFAOYSA-N 1 1 431.500 3.115 50 0 IGAAMO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)C1=O ZINC000023818518 557118294 /nfs/dbraw/zinc/11/82/94/557118294.db2.gz MSRDDKDOAHTFQO-AREMUKBSSA-N 1 1 446.551 3.251 50 0 IGAAMO CC[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)CC1 ZINC000000631062 557123217 /nfs/dbraw/zinc/12/32/17/557123217.db2.gz HLTRPRRXYWMHKC-UHFFFAOYSA-N 1 1 429.586 3.499 50 0 IGAAMO O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024643466 557156914 /nfs/dbraw/zinc/15/69/14/557156914.db2.gz GYLWMGWJUIZERB-UHFFFAOYSA-N 1 1 430.932 3.192 50 0 IGAAMO Cc1noc(C)c1CCC(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000024822952 557169057 /nfs/dbraw/zinc/16/90/57/557169057.db2.gz UNNNLLNNKGBLQT-UHFFFAOYSA-N 1 1 437.544 3.359 50 0 IGAAMO O=C(C[NH+]1CCC(O)CC1)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000026372231 557240217 /nfs/dbraw/zinc/24/02/17/557240217.db2.gz FLGAGRAXKHVZCJ-HXUWFJFHSA-N 1 1 432.446 3.244 50 0 IGAAMO C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027299521 557259683 /nfs/dbraw/zinc/25/96/83/557259683.db2.gz XHFKNXVRJYQGMX-UHFFFAOYSA-N 1 1 433.430 3.097 50 0 IGAAMO O=c1cc(C[NH+]2CCN(c3ccccc3)CC2)nc2[nH]c(NCc3ccc(Cl)cc3)nn21 ZINC000101795851 557298365 /nfs/dbraw/zinc/29/83/65/557298365.db2.gz GJBRSPCGHHYXLM-UHFFFAOYSA-N 1 1 449.946 3.005 50 0 IGAAMO O=C(CSc1nnnn1C1CCCC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023873299 557377468 /nfs/dbraw/zinc/37/74/68/557377468.db2.gz VSSKPNTYWPMWFZ-UHFFFAOYSA-N 1 1 436.585 3.378 50 0 IGAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H](C)O ZINC000105002840 557470270 /nfs/dbraw/zinc/47/02/70/557470270.db2.gz YTPLKSFBDOCQGF-SIKLNZKXSA-N 1 1 446.613 3.281 50 0 IGAAMO C[C@H](NC(=O)C(=O)N1CCCCC1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288218 563024400 /nfs/dbraw/zinc/02/44/00/563024400.db2.gz CCRRFECERILGNK-SIKLNZKXSA-N 1 1 440.613 3.129 50 0 IGAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000248024865 568633517 /nfs/dbraw/zinc/63/35/17/568633517.db2.gz LEBJXPCUIBGPOT-IBGZPJMESA-N 1 1 435.547 3.273 50 0 IGAAMO Cc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3C)CC2)CC1 ZINC000248081612 568633888 /nfs/dbraw/zinc/63/38/88/568633888.db2.gz PWCKQIASKDLLQT-UHFFFAOYSA-N 1 1 431.584 3.443 50 0 IGAAMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4C)C3)CC2)cc1 ZINC000253612879 568644046 /nfs/dbraw/zinc/64/40/46/568644046.db2.gz CNBJXBRCFXTFFD-OAQYLSRUSA-N 1 1 431.584 3.443 50 0 IGAAMO CCOCCCN1C(=O)CC[C@@H]2C[N@@H+](C3CCN(CCc4ccccc4)CC3)CC[C@@H]21 ZINC000299769408 568756670 /nfs/dbraw/zinc/75/66/70/568756670.db2.gz XLDKZOBRHLUBKZ-NOZRDPDXSA-N 1 1 427.633 3.433 50 0 IGAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N4CCC[C@H](C)C4)CC3)n2)cc1OC ZINC000015726306 568812315 /nfs/dbraw/zinc/81/23/15/568812315.db2.gz QNFIPZSBEHIBSW-INIZCTEOSA-N 1 1 428.533 3.224 50 0 IGAAMO COc1ccc(OC)c(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)c1 ZINC000015779494 568824932 /nfs/dbraw/zinc/82/49/32/568824932.db2.gz DTXCUROMZBOASU-UHFFFAOYSA-N 1 1 445.567 3.379 50 0 IGAAMO COc1ccc(OC)c(C[N@H+]2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)c1 ZINC000015779494 568824935 /nfs/dbraw/zinc/82/49/35/568824935.db2.gz DTXCUROMZBOASU-UHFFFAOYSA-N 1 1 445.567 3.379 50 0 IGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cn(Cc2ccncc2)c(=O)c2ccccc12 ZINC000085880025 568839189 /nfs/dbraw/zinc/83/91/89/568839189.db2.gz CFQFQGVMWIOBBI-GBXCKJPGSA-N 1 1 430.552 3.439 50 0 IGAAMO O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229899554 568887129 /nfs/dbraw/zinc/88/71/29/568887129.db2.gz IVNFQVHFWRUKIF-FBAVSBLXSA-N 1 1 442.302 3.425 50 0 IGAAMO CCC(CC)[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)[NH+]1CCOCC1 ZINC000013022129 568902253 /nfs/dbraw/zinc/90/22/53/568902253.db2.gz CTGKBBAAZBPWIC-QFIPXVFZSA-N 1 1 428.552 3.367 50 0 IGAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000241160546 568912198 /nfs/dbraw/zinc/91/21/98/568912198.db2.gz JYCNNEDJSSRMJR-OTPAQWSUSA-N 1 1 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COc1ccnc(N2CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C(F)(F)F)CC2)c1 ZINC000170614618 569146369 /nfs/dbraw/zinc/14/63/69/569146369.db2.gz AJNNWLJFALCNSV-PMACEKPBSA-N 1 1 448.489 3.049 50 0 IGAAMO COc1ccnc(N2CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C(F)(F)F)CC2)c1 ZINC000170614618 569146370 /nfs/dbraw/zinc/14/63/70/569146370.db2.gz AJNNWLJFALCNSV-PMACEKPBSA-N 1 1 448.489 3.049 50 0 IGAAMO NC(=O)c1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000089781031 569163010 /nfs/dbraw/zinc/16/30/10/569163010.db2.gz XKBXDVLVVRNWTM-UHFFFAOYSA-N 1 1 436.339 3.252 50 0 IGAAMO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)c1 ZINC000089830411 569165576 /nfs/dbraw/zinc/16/55/76/569165576.db2.gz RXTBAOFFFIRMIN-QHCPKHFHSA-N 1 1 435.549 3.115 50 0 IGAAMO OCC[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(Cl)cc3)n2)CC1 ZINC000017200391 569175743 /nfs/dbraw/zinc/17/57/43/569175743.db2.gz NFVYIVSEJKOCRM-UHFFFAOYSA-N 1 1 449.946 3.327 50 0 IGAAMO C[C@@H]1C[C@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCN1C(=O)OC(C)(C)C ZINC000252480904 569186389 /nfs/dbraw/zinc/18/63/89/569186389.db2.gz CGANAKFHMFTXPF-NRSPTQNISA-N 1 1 431.577 3.182 50 0 IGAAMO C[C@@H]1C[C@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCN1C(=O)OC(C)(C)C ZINC000252480904 569186391 /nfs/dbraw/zinc/18/63/91/569186391.db2.gz CGANAKFHMFTXPF-NRSPTQNISA-N 1 1 431.577 3.182 50 0 IGAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000007718673 569197844 /nfs/dbraw/zinc/19/78/44/569197844.db2.gz JHVOLXAXLOMROU-NRFANRHFSA-N 1 1 429.586 3.247 50 0 IGAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000007718673 569197845 /nfs/dbraw/zinc/19/78/45/569197845.db2.gz JHVOLXAXLOMROU-NRFANRHFSA-N 1 1 429.586 3.247 50 0 IGAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1c1ccccc1OC)C(=O)COC ZINC000037523970 569198384 /nfs/dbraw/zinc/19/83/84/569198384.db2.gz CSRKWIDSKPXGCA-LADGPHEKSA-N 1 1 440.584 3.341 50 0 IGAAMO CC[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cccc(F)c3)CC2)CC1 ZINC000037525604 569198879 /nfs/dbraw/zinc/19/88/79/569198879.db2.gz PUSFGSAZNMLFDA-UHFFFAOYSA-N 1 1 438.547 3.002 50 0 IGAAMO O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000002419244 569301699 /nfs/dbraw/zinc/30/16/99/569301699.db2.gz UVNBHTBTYNDYFU-SUWCGCSTSA-N 1 1 441.409 3.137 50 0 IGAAMO COC(=O)COc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1OC ZINC000328591636 569317094 /nfs/dbraw/zinc/31/70/94/569317094.db2.gz CFHRJZAISZQVML-QGZVFWFLSA-N 1 1 446.569 3.211 50 0 IGAAMO CCCN(C(=O)C[N@H+](CCC)[C@@H]1C[C@H](OCC)C12CCCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000078876551 569319720 /nfs/dbraw/zinc/31/97/20/569319720.db2.gz VSGCUWIAUWVTGD-NJYVYQBISA-N 1 1 442.666 3.252 50 0 IGAAMO CCCN(C(=O)C[N@@H+](CCC)[C@@H]1C[C@H](OCC)C12CCCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000078876551 569319722 /nfs/dbraw/zinc/31/97/22/569319722.db2.gz VSGCUWIAUWVTGD-NJYVYQBISA-N 1 1 442.666 3.252 50 0 IGAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)Cc2ccc(OC)c(OC)c2)CC1 ZINC000020288151 569359316 /nfs/dbraw/zinc/35/93/16/569359316.db2.gz KJUBAJCXUXYJIM-GAJHUEQPSA-N 1 1 431.602 3.191 50 0 IGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 ZINC000020508043 569369566 /nfs/dbraw/zinc/36/95/66/569369566.db2.gz JMVAICMXEKIGAQ-VOQZNFBZSA-N 1 1 441.597 3.276 50 0 IGAAMO COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225687520 569407194 /nfs/dbraw/zinc/40/71/94/569407194.db2.gz FAYYNXLAAPBIAF-QFIPXVFZSA-N 1 1 429.520 3.119 50 0 IGAAMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000057142972 569429706 /nfs/dbraw/zinc/42/97/06/569429706.db2.gz VTZNPOVOFZEUCE-PDOGEWKWSA-N 1 1 437.471 3.273 50 0 IGAAMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000057142972 569429707 /nfs/dbraw/zinc/42/97/07/569429707.db2.gz VTZNPOVOFZEUCE-PDOGEWKWSA-N 1 1 437.471 3.273 50 0 IGAAMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc(F)cc(Br)c1 ZINC000058161583 569449227 /nfs/dbraw/zinc/44/92/27/569449227.db2.gz SYHWHSVPRXXGOY-KRWDZBQOSA-N 1 1 429.330 3.468 50 0 IGAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000040146741 569492328 /nfs/dbraw/zinc/49/23/28/569492328.db2.gz VVTCPASPIBEBPO-SFHVURJKSA-N 1 1 439.597 3.242 50 0 IGAAMO COc1ccc(-c2noc(N3CCC(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)CC3)n2)cc1 ZINC000009405556 569529910 /nfs/dbraw/zinc/52/99/10/569529910.db2.gz SPQNNXUWPCPTFF-SFHVURJKSA-N 1 1 441.576 3.342 50 0 IGAAMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC(F)F ZINC000009683281 569560352 /nfs/dbraw/zinc/56/03/52/569560352.db2.gz ICPXCIWRTJMNDM-SFHVURJKSA-N 1 1 447.526 3.461 50 0 IGAAMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC(F)F ZINC000009683281 569560353 /nfs/dbraw/zinc/56/03/53/569560353.db2.gz ICPXCIWRTJMNDM-SFHVURJKSA-N 1 1 447.526 3.461 50 0 IGAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009712332 569562228 /nfs/dbraw/zinc/56/22/28/569562228.db2.gz BPFRQRHEQKAFIO-UHFFFAOYSA-N 1 1 438.919 3.210 50 0 IGAAMO CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC)c1ccccc1 ZINC000010131599 569578024 /nfs/dbraw/zinc/57/80/24/569578024.db2.gz LSSBTERXXPLLSF-NRFANRHFSA-N 1 1 426.513 3.437 50 0 IGAAMO CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC)c1ccccc1 ZINC000010131599 569578025 /nfs/dbraw/zinc/57/80/25/569578025.db2.gz LSSBTERXXPLLSF-NRFANRHFSA-N 1 1 426.513 3.437 50 0 IGAAMO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)nn1C ZINC000055060615 193933418 /nfs/dbraw/zinc/93/34/18/193933418.db2.gz GPMKZWQMJRPEME-LJQANCHMSA-N 1 1 435.494 3.174 50 0 IGAAMO CCN1CCN(c2c(C(=O)c3ccc(OC)cc3)c[nH+]c3cc4c(cc32)OCCO4)CC1 ZINC000002693722 132256355 /nfs/dbraw/zinc/25/63/55/132256355.db2.gz VWSYSROKORIJMF-UHFFFAOYSA-N 1 1 433.508 3.388 50 0 IGAAMO COc1ccc(C[NH+]2CCC(N3CCN(c4ccccc4OC)CC3)CC2)cc1OC ZINC000004712147 132272962 /nfs/dbraw/zinc/27/29/62/132272962.db2.gz OVMMGIMELDRFMU-UHFFFAOYSA-N 1 1 425.573 3.499 50 0 IGAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000020472293 518421679 /nfs/dbraw/zinc/42/16/79/518421679.db2.gz BHDGCMHCBHNJBE-XMMPIXPASA-N 1 1 435.568 3.400 50 0 IGAAMO CCCCCCC(=O)N1CCN(c2nc(C[N@@H+](CC)Cc3ccccc3)cc(=O)[nH]2)CC1 ZINC000035926516 519953465 /nfs/dbraw/zinc/95/34/65/519953465.db2.gz XPNCKGRKQPEYSE-UHFFFAOYSA-N 1 1 439.604 3.411 50 0 IGAAMO CCOC(=O)C=C(NC(=O)NC(C)(C)C)[NH2+]N(C)c1ncc(C(F)(F)F)cc1Cl ZINC000012860098 520401255 /nfs/dbraw/zinc/40/12/55/520401255.db2.gz MFCVJOKWJQGLAK-XYOKQWHBSA-N 1 1 437.850 3.197 50 0 IGAAMO CCOC(=O)C1=C(C[NH2+]CCc2ccc(OC)cc2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000012412511 520519469 /nfs/dbraw/zinc/51/94/69/520519469.db2.gz FPXVTPBQHIQXSO-HSZRJFAPSA-N 1 1 437.540 3.315 50 0 IGAAMO CCOC(=O)C1CC[NH+]([C@H](c2cccc(F)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097852 520583055 /nfs/dbraw/zinc/58/30/55/520583055.db2.gz VNJUIKRVCXBGLC-JOCHJYFZSA-N 1 1 446.519 3.012 50 0 IGAAMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000035361571 521870387 /nfs/dbraw/zinc/87/03/87/521870387.db2.gz JNNFNKRNPILGTH-OAQYLSRUSA-N 1 1 440.613 3.230 50 0 IGAAMO COc1cc(-c2n[nH]cc2C[N@H+]2CCCC[C@@H]2CCN2CCOCC2)cc(OC)c1OC ZINC000012445325 521901563 /nfs/dbraw/zinc/90/15/63/521901563.db2.gz PXTADWUTFWLFKS-HXUWFJFHSA-N 1 1 444.576 3.179 50 0 IGAAMO COc1cc(C[N@@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC2CC2)ccc1O ZINC000012242566 522405403 /nfs/dbraw/zinc/40/54/03/522405403.db2.gz RSDSBMBYIDASOQ-APWZRJJASA-N 1 1 438.553 3.291 50 0 IGAAMO COc1cc(C[N@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC2CC2)ccc1O ZINC000012242566 522405419 /nfs/dbraw/zinc/40/54/19/522405419.db2.gz RSDSBMBYIDASOQ-APWZRJJASA-N 1 1 438.553 3.291 50 0 IGAAMO COc1cc(C[NH2+]C2(c3ccccc3)CC2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012458583 522441759 /nfs/dbraw/zinc/44/17/59/522441759.db2.gz WMFHMCORGWAOTA-NRFANRHFSA-N 1 1 428.598 3.263 50 0 IGAAMO COc1cc(CNCc2[nH]nc3c2CCC3)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012433364 522471484 /nfs/dbraw/zinc/47/14/84/522471484.db2.gz WNQCOJSKRFXUSX-FQEVSTJZSA-N 1 1 442.604 3.201 50 0 IGAAMO COc1cc(CNCc2[nH]nc3c2CCC3)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012433364 522471492 /nfs/dbraw/zinc/47/14/92/522471492.db2.gz WNQCOJSKRFXUSX-FQEVSTJZSA-N 1 1 442.604 3.201 50 0 IGAAMO COc1cc(CNCc2[nH]nc3c2CCC3)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012433365 522472302 /nfs/dbraw/zinc/47/23/02/522472302.db2.gz WNQCOJSKRFXUSX-HXUWFJFHSA-N 1 1 442.604 3.201 50 0 IGAAMO COc1cc(CNCc2[nH]nc3c2CCC3)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012433365 522472309 /nfs/dbraw/zinc/47/23/09/522472309.db2.gz WNQCOJSKRFXUSX-HXUWFJFHSA-N 1 1 442.604 3.201 50 0 IGAAMO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@H+](C)CCCCN1CCOCC1 ZINC000012433458 522735299 /nfs/dbraw/zinc/73/52/99/522735299.db2.gz FRJZJICCYFTJEJ-UHFFFAOYSA-N 1 1 449.599 3.151 50 0 IGAAMO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@@H+](C)CCCCN1CCOCC1 ZINC000012433458 522735305 /nfs/dbraw/zinc/73/53/05/522735305.db2.gz 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C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000057642671 569440510 /nfs/dbraw/zinc/44/05/10/569440510.db2.gz MPSDIUNPKJSJKX-UEXGIBASSA-N 1 1 431.577 3.312 50 0 IGAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000057642671 569440511 /nfs/dbraw/zinc/44/05/11/569440511.db2.gz MPSDIUNPKJSJKX-UEXGIBASSA-N 1 1 431.577 3.312 50 0 IGAAMO CC(=O)NCc1ccc(C(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000039984925 569482322 /nfs/dbraw/zinc/48/23/22/569482322.db2.gz NMUIPLXCKOTJPJ-UHFFFAOYSA-N 1 1 442.563 3.375 50 0 IGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O ZINC000008933050 569487743 /nfs/dbraw/zinc/48/77/43/569487743.db2.gz ZBNQMYWVTHTHTM-FQEVSTJZSA-N 1 1 443.551 3.000 50 0 IGAAMO COc1ccc(CCNC(=O)C2CC[NH+](CC(=O)Nc3ccc(C)cc3)CC2)cc1OC ZINC000009069091 569500023 /nfs/dbraw/zinc/50/00/23/569500023.db2.gz BVHTZFLOLOPIQG-UHFFFAOYSA-N 1 1 439.556 3.022 50 0 IGAAMO O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000245284480 569502230 /nfs/dbraw/zinc/50/22/30/569502230.db2.gz SERUAYRWBDLZJN-SAIGFBBZSA-N 1 1 444.583 3.413 50 0 IGAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000245380875 569505536 /nfs/dbraw/zinc/50/55/36/569505536.db2.gz QQRAPILVPZAQCR-OTWHNJEPSA-N 1 1 430.622 3.314 50 0 IGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 ZINC000009432583 569534409 /nfs/dbraw/zinc/53/44/09/569534409.db2.gz JMVAICMXEKIGAQ-ZPMCFJSWSA-N 1 1 441.597 3.276 50 0 IGAAMO COc1ccc2[nH]cc(CCNC3=[NH+][C@H](c4ccccc4)n4c(=O)cc(C)nc4N3)c2c1 ZINC000009530960 569545057 /nfs/dbraw/zinc/54/50/57/569545057.db2.gz XJOYRDROYYQVGG-QFIPXVFZSA-N 1 1 428.496 3.202 50 0 IGAAMO NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)C1 ZINC000009726683 569563930 /nfs/dbraw/zinc/56/39/30/569563930.db2.gz NCUIAXPNQAUUSG-OAQYLSRUSA-N 1 1 443.551 3.164 50 0 IGAAMO 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ZINC000013861510 132355242 /nfs/dbraw/zinc/35/52/42/132355242.db2.gz HBKLKKRQXXEMGA-LJQANCHMSA-N 1 1 449.393 3.168 50 0 IGAAMO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000012817062 519699154 /nfs/dbraw/zinc/69/91/54/519699154.db2.gz FQIDQSRFFRDPEO-YADHBBJMSA-N 1 1 426.948 3.288 50 0 IGAAMO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560232 520514191 /nfs/dbraw/zinc/51/41/91/520514191.db2.gz CKNRQAYCIWLSPY-HSZRJFAPSA-N 1 1 440.588 3.116 50 0 IGAAMO CCOc1c(Cl)cc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1OC ZINC000012549652 520597604 /nfs/dbraw/zinc/59/76/04/520597604.db2.gz RXRNEYKKLFXMBK-IBGZPJMESA-N 1 1 443.891 3.355 50 0 IGAAMO CCOc1cc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc(Cl)c1O ZINC000012506447 520786111 /nfs/dbraw/zinc/78/61/11/520786111.db2.gz OZBQCFDWTSIEAM-SFHVURJKSA-N 1 1 429.864 3.052 50 0 IGAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000035843179 521731290 /nfs/dbraw/zinc/73/12/90/521731290.db2.gz WFDQUOKRUGEQJS-CQAGSAPUSA-N 1 1 429.520 3.149 50 0 IGAAMO COc1cc(CN(C)Cc2nnc(C)o2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012092819 522355942 /nfs/dbraw/zinc/35/59/42/522355942.db2.gz PCDASUHQETUXRR-HXUWFJFHSA-N 1 1 432.565 3.023 50 0 IGAAMO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022465812 522435812 /nfs/dbraw/zinc/43/58/12/522435812.db2.gz SGHAQZASNNHPNG-CTNGQTDRSA-N 1 1 426.557 3.486 50 0 IGAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)Cc1[nH]nc2ccccc21 ZINC000012445505 523731929 /nfs/dbraw/zinc/73/19/29/523731929.db2.gz CTBSGMIAJUJMKH-HXUWFJFHSA-N 1 1 446.595 3.460 50 0 IGAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)cc1OC ZINC000020908689 523779919 /nfs/dbraw/zinc/77/99/19/523779919.db2.gz VBSSJVPIYVKBRA-SFHVURJKSA-N 1 1 435.524 3.239 50 0 IGAAMO C[N@H+]1CCCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)CC1 ZINC000012738112 523812215 /nfs/dbraw/zinc/81/22/15/523812215.db2.gz DFCMNIUDGXFDQP-UHFFFAOYSA-N 1 1 429.615 3.394 50 0 IGAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)CN(C)Cc4cccnc4)C3)C2)c1 ZINC000012448380 524272434 /nfs/dbraw/zinc/27/24/34/524272434.db2.gz XMALHBSQSRDNKY-RUZDIDTESA-N 1 1 440.563 3.176 50 0 IGAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000035851656 524880330 /nfs/dbraw/zinc/88/03/30/524880330.db2.gz SXSRDEAXJWRXME-UAKAABGRSA-N 1 1 435.911 3.388 50 0 IGAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000035851656 524880340 /nfs/dbraw/zinc/88/03/40/524880340.db2.gz SXSRDEAXJWRXME-UAKAABGRSA-N 1 1 435.911 3.388 50 0 IGAAMO Cc1cc(OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1C(C)C ZINC000022147710 525374231 /nfs/dbraw/zinc/37/42/31/525374231.db2.gz JYLXMQPOVAKPCJ-OAQYLSRUSA-N 1 1 426.557 3.405 50 0 IGAAMO Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012805587 525560564 /nfs/dbraw/zinc/56/05/64/525560564.db2.gz JFHSYUDLEAHTIW-HXUWFJFHSA-N 1 1 437.993 3.368 50 0 IGAAMO Cc1ccc([C@@H](C)CC[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)o1 ZINC000012205629 525679960 /nfs/dbraw/zinc/67/99/60/525679960.db2.gz ZIFXFCCCLGKBPA-KRWDZBQOSA-N 1 1 439.535 3.229 50 0 IGAAMO C[C@H](OC(=O)CSc1nc2ccccc2o1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012805619 525885582 /nfs/dbraw/zinc/88/55/82/525885582.db2.gz XXFFALOBIVOGJT-KRWDZBQOSA-N 1 1 439.537 3.196 50 0 IGAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1 ZINC000012279521 525953952 /nfs/dbraw/zinc/95/39/52/525953952.db2.gz HVIZWIBNFOQZGE-QFIPXVFZSA-N 1 1 448.571 3.257 50 0 IGAAMO Cc1cc(=O)c(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c[nH]1 ZINC000012711718 526127095 /nfs/dbraw/zinc/12/70/95/526127095.db2.gz MQOYVRYGVDPERO-OAQYLSRUSA-N 1 1 441.547 3.356 50 0 IGAAMO Cc1ccc(C)c(-n2cc(C[NH+]3CCN(CC(=O)N(C)C)CC3)c(-c3ccccc3)n2)c1 ZINC000020992632 526257034 /nfs/dbraw/zinc/25/70/34/526257034.db2.gz WCKHLJRVYHLKGC-UHFFFAOYSA-N 1 1 431.584 3.362 50 0 IGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000012750511 527046956 /nfs/dbraw/zinc/04/69/56/527046956.db2.gz KHQFGTKVEWFJRR-QFIPXVFZSA-N 1 1 435.549 3.492 50 0 IGAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2cc(Br)ccc2F)N1)OCCCO4 ZINC000012507329 527137348 /nfs/dbraw/zinc/13/73/48/527137348.db2.gz KDNHGMCOWFDASX-INIZCTEOSA-N 1 1 432.253 3.196 50 0 IGAAMO O=C(NC1CCCCC1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035485247 527514724 /nfs/dbraw/zinc/51/47/24/527514724.db2.gz UTDQRZHQUMUEND-DQEYMECFSA-N 1 1 444.579 3.359 50 0 IGAAMO O[C@@H](COc1ccccc1C[NH2+]Cc1cc2cc(F)ccc2[nH]1)CN1CCSCC1 ZINC000012385756 527662092 /nfs/dbraw/zinc/66/20/92/527662092.db2.gz LMSILBOCXJVHLB-OAQYLSRUSA-N 1 1 429.561 3.385 50 0 IGAAMO CC(C)(C)c1ccc2c(c1)N(CC(=O)NCCC[N@H+]1CCc3ccccc3C1)C(=O)CO2 ZINC000002912674 535123669 /nfs/dbraw/zinc/12/36/69/535123669.db2.gz KKPZIUTZDDMTFO-UHFFFAOYSA-N 1 1 435.568 3.274 50 0 IGAAMO CCOc1ccc(CC(=O)Nc2cccc(-c3ccc(N4CC[NH+](C)CC4)nn3)c2)cc1 ZINC000010186593 535712981 /nfs/dbraw/zinc/71/29/81/535712981.db2.gz WUEXWEIMARBOPH-UHFFFAOYSA-N 1 1 431.540 3.475 50 0 IGAAMO C[NH+]1CCN(C(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000006027824 556072885 /nfs/dbraw/zinc/07/28/85/556072885.db2.gz XEUFRASSRWPSAQ-UHFFFAOYSA-N 1 1 449.576 3.470 50 0 IGAAMO CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000008616581 556192523 /nfs/dbraw/zinc/19/25/23/556192523.db2.gz LQPGEKZJZMPNNZ-UHFFFAOYSA-N 1 1 429.492 3.205 50 0 IGAAMO C[NH+](C)CCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000013725830 556292847 /nfs/dbraw/zinc/29/28/47/556292847.db2.gz BQPRCNXKVUAQHF-UHFFFAOYSA-N 1 1 447.488 3.058 50 0 IGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000013811664 556313036 /nfs/dbraw/zinc/31/30/36/556313036.db2.gz HKONMEAJENNHPW-UAKAABGRSA-N 1 1 435.911 3.388 50 0 IGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000013811664 556313037 /nfs/dbraw/zinc/31/30/37/556313037.db2.gz HKONMEAJENNHPW-UAKAABGRSA-N 1 1 435.911 3.388 50 0 IGAAMO C[N@H+](Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21)C1CCOCC1 ZINC000011664850 556345585 /nfs/dbraw/zinc/34/55/85/556345585.db2.gz RXZXNJUCMRVQIV-UHFFFAOYSA-N 1 1 439.604 3.036 50 0 IGAAMO C[N@@H+](Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21)C1CCOCC1 ZINC000011664850 556345588 /nfs/dbraw/zinc/34/55/88/556345588.db2.gz RXZXNJUCMRVQIV-UHFFFAOYSA-N 1 1 439.604 3.036 50 0 IGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n(CCc2ccccc2Cl)c1COC ZINC000011784106 556352534 /nfs/dbraw/zinc/35/25/34/556352534.db2.gz YCSKOBCFETYENT-IBGZPJMESA-N 1 1 445.991 3.413 50 0 IGAAMO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC1)=CC2 ZINC000011978385 556383517 /nfs/dbraw/zinc/38/35/17/556383517.db2.gz VLZRFEUFZZLGFV-FPOVZHCZSA-N 1 1 437.563 3.127 50 0 IGAAMO O=S(=O)(c1cccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1)N1CCOCC1 ZINC000014198228 556389520 /nfs/dbraw/zinc/38/95/20/556389520.db2.gz UULMZRYXDTZQHT-UHFFFAOYSA-N 1 1 441.553 3.228 50 0 IGAAMO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000012041737 556391039 /nfs/dbraw/zinc/39/10/39/556391039.db2.gz FPPWDGODKIFUAN-NRFANRHFSA-N 1 1 427.593 3.310 50 0 IGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)cc1OC ZINC000012058012 556394989 /nfs/dbraw/zinc/39/49/89/556394989.db2.gz PZGWAWRHXVSAEO-HXUWFJFHSA-N 1 1 429.561 3.407 50 0 IGAAMO O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000027915515 556435158 /nfs/dbraw/zinc/43/51/58/556435158.db2.gz RMGSUGZSIVYGSZ-UHFFFAOYSA-N 1 1 447.988 3.129 50 0 IGAAMO O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000027915515 556435160 /nfs/dbraw/zinc/43/51/60/556435160.db2.gz RMGSUGZSIVYGSZ-UHFFFAOYSA-N 1 1 447.988 3.129 50 0 IGAAMO O=C(COc1ccc2c(c1)CCC(=O)N2)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000029096985 556467258 /nfs/dbraw/zinc/46/72/58/556467258.db2.gz RPEGPNYYZBTZGK-UHFFFAOYSA-N 1 1 427.932 3.338 50 0 IGAAMO O=C(COc1ccc2c(c1)CCC(=O)N2)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000029096985 556467264 /nfs/dbraw/zinc/46/72/64/556467264.db2.gz RPEGPNYYZBTZGK-UHFFFAOYSA-N 1 1 427.932 3.338 50 0 IGAAMO Cc1ccc([C@@H]([C@H](O)C(=O)c2c[nH]c3ccccc23)[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000015017766 556486537 /nfs/dbraw/zinc/48/65/37/556486537.db2.gz XHSKEEXDYFHEEU-ZCYQVOJMSA-N 1 1 441.535 3.373 50 0 IGAAMO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccccc1)[NH+]1CCN(c2ncccn2)CC1 ZINC000015017735 556486547 /nfs/dbraw/zinc/48/65/47/556486547.db2.gz OMFRNPLQGSTABP-UPVQGACJSA-N 1 1 427.508 3.065 50 0 IGAAMO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CC1(N3CCCCC3)CCCCC1)C2 ZINC000032533089 556540487 /nfs/dbraw/zinc/54/04/87/556540487.db2.gz RMVZVLARATYAQT-FQEVSTJZSA-N 1 1 427.637 3.292 50 0 IGAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000574 556572438 /nfs/dbraw/zinc/57/24/38/556572438.db2.gz JIQQEKSTGQDPMV-UAKAABGRSA-N 1 1 435.911 3.388 50 0 IGAAMO Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)N2CCOCC2)o1 ZINC000072310046 556577573 /nfs/dbraw/zinc/57/75/73/556577573.db2.gz LVONSXMGIFCNRM-VXKWHMMOSA-N 1 1 429.536 3.271 50 0 IGAAMO Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)N2CCOCC2)o1 ZINC000072310046 556577576 /nfs/dbraw/zinc/57/75/76/556577576.db2.gz LVONSXMGIFCNRM-VXKWHMMOSA-N 1 1 429.536 3.271 50 0 IGAAMO CC[N@H+]1CCC[C@H](OC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)C1 ZINC000032962589 556582577 /nfs/dbraw/zinc/58/25/77/556582577.db2.gz SKYVQRGSKJSHFV-FQEVSTJZSA-N 1 1 428.554 3.469 50 0 IGAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2n(n1)CCN(Cc1cccc(Cl)c1)C2=O ZINC000034811110 556582940 /nfs/dbraw/zinc/58/29/40/556582940.db2.gz JNISMWLYBCYXNH-QGZVFWFLSA-N 1 1 443.979 3.187 50 0 IGAAMO COc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000005057787 556627987 /nfs/dbraw/zinc/62/79/87/556627987.db2.gz DDPODYPLPTXOCJ-WXZJWSGTSA-N 1 1 427.589 3.326 50 0 IGAAMO CCCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1 ZINC000032999701 556653258 /nfs/dbraw/zinc/65/32/58/556653258.db2.gz XSMCXZSISGNRPW-UHFFFAOYSA-N 1 1 436.622 3.132 50 0 IGAAMO Cc1ccc(C)c(-c2n[nH]cc2CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000043119863 556661114 /nfs/dbraw/zinc/66/11/14/556661114.db2.gz NOESCTQIRDAMOK-XMMPIXPASA-N 1 1 439.648 3.435 50 0 IGAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000249691144 556688476 /nfs/dbraw/zinc/68/84/76/556688476.db2.gz LCYCYKCRGGTNNL-XUJKJYMVSA-N 1 1 435.911 3.186 50 0 IGAAMO Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCC[NH+]4CCOCC4)c3n2)cc1 ZINC000019212154 556709763 /nfs/dbraw/zinc/70/97/63/556709763.db2.gz RLSZJIJKKNVVLR-UHFFFAOYSA-N 1 1 429.471 3.094 50 0 IGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)c2nnc(COC)s2)cc1 ZINC000033032141 556712217 /nfs/dbraw/zinc/71/22/17/556712217.db2.gz YDLPCXBRTATYHV-SFHVURJKSA-N 1 1 445.589 3.321 50 0 IGAAMO Cc1c(C(=O)NCC[NH+](CC(C)C)CC(C)C)sc2ncnc(N3CCN(C)CC3)c12 ZINC000033048307 556744325 /nfs/dbraw/zinc/74/43/25/556744325.db2.gz QFWXTFWZENHPCJ-UHFFFAOYSA-N 1 1 446.665 3.095 50 0 IGAAMO CCN(C(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)CC[N@@H+](CC)C2)c1ccccc1 ZINC000062007153 556765376 /nfs/dbraw/zinc/76/53/76/556765376.db2.gz MYMZGVROJFQFJY-UHFFFAOYSA-N 1 1 434.515 3.481 50 0 IGAAMO CC[N@H+]1CCc2nc(-c3ccccc3)n(CC(=O)N3CCOc4ccc(C)cc43)c(=O)c2C1 ZINC000062007139 556765381 /nfs/dbraw/zinc/76/53/81/556765381.db2.gz LVFZEIJBZUZNOY-UHFFFAOYSA-N 1 1 444.535 3.022 50 0 IGAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)Nc1cccc(COc2cccc(F)c2)c1 ZINC000058162488 556765962 /nfs/dbraw/zinc/76/59/62/556765962.db2.gz FPRNLDLDZYPRDY-WMZHIEFXSA-N 1 1 443.519 3.264 50 0 IGAAMO C[C@@H](CNC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058225183 556773816 /nfs/dbraw/zinc/77/38/16/556773816.db2.gz KFXROYRXMJTJAA-OKZBNKHCSA-N 1 1 431.556 3.288 50 0 IGAAMO C[C@@H](CNC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058225183 556773818 /nfs/dbraw/zinc/77/38/18/556773818.db2.gz KFXROYRXMJTJAA-OKZBNKHCSA-N 1 1 431.556 3.288 50 0 IGAAMO O=C(c1cccc(-n2cccn2)c1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000067724403 556846276 /nfs/dbraw/zinc/84/62/76/556846276.db2.gz SIHWKKJZUQVJLM-JOCHJYFZSA-N 1 1 433.531 3.438 50 0 IGAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2NC(=O)c2ccco2)CC1 ZINC000068741484 556849761 /nfs/dbraw/zinc/84/97/61/556849761.db2.gz VZRCVLACDHKTPW-UHFFFAOYSA-N 1 1 427.892 3.149 50 0 IGAAMO Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000019794773 556915965 /nfs/dbraw/zinc/91/59/65/556915965.db2.gz WXJDNAZUIHSNBZ-XLNRJJMWSA-N 1 1 441.959 3.258 50 0 IGAAMO C[N@@H+](Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21)C[C@@H]1COCCO1 ZINC000019839719 556929015 /nfs/dbraw/zinc/92/90/15/556929015.db2.gz UNBOCGXGELHYPP-GOSISDBHSA-N 1 1 434.968 3.241 50 0 IGAAMO C[N@H+](Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21)C[C@@H]1COCCO1 ZINC000019839719 556929018 /nfs/dbraw/zinc/92/90/18/556929018.db2.gz UNBOCGXGELHYPP-GOSISDBHSA-N 1 1 434.968 3.241 50 0 IGAAMO CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCC[NH+]2CCOCC2)c1=O ZINC000019862595 556933887 /nfs/dbraw/zinc/93/38/87/556933887.db2.gz JAZCTKTUEHTPRD-UHFFFAOYSA-N 1 1 446.551 3.049 50 0 IGAAMO COc1ccc(OCC[NH+]2CCN(CC(=O)N(C)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000022931487 557050164 /nfs/dbraw/zinc/05/01/64/557050164.db2.gz MZIROHBOJCRAIJ-UHFFFAOYSA-N 1 1 449.954 3.143 50 0 IGAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022938887 557053404 /nfs/dbraw/zinc/05/34/04/557053404.db2.gz ZKSCZNQYRYZNSC-UHFFFAOYSA-N 1 1 438.503 3.240 50 0 IGAAMO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022938437 557053477 /nfs/dbraw/zinc/05/34/77/557053477.db2.gz MBPFOUAITUMALP-UHFFFAOYSA-N 1 1 440.931 3.364 50 0 IGAAMO Cc1cccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)c1 ZINC000023129721 557066272 /nfs/dbraw/zinc/06/62/72/557066272.db2.gz IEFVMUWWAFLYNX-INIZCTEOSA-N 1 1 425.483 3.414 50 0 IGAAMO Cc1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000023129343 557066353 /nfs/dbraw/zinc/06/63/53/557066353.db2.gz FDCLCXZANNXGRZ-HSZRJFAPSA-N 1 1 434.584 3.367 50 0 IGAAMO O=C(C[NH+]1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)NCc1ccc2c(c1)OCO2 ZINC000049377754 557094991 /nfs/dbraw/zinc/09/49/91/557094991.db2.gz JOJPNXJOVDPUEC-UHFFFAOYSA-N 1 1 438.459 3.100 50 0 IGAAMO O=C(CC[NH+]1CCN(C(=O)c2ccc3ccccc3c2)CC1)NC(=O)NCc1ccccc1 ZINC000024865490 557175307 /nfs/dbraw/zinc/17/53/07/557175307.db2.gz LHIUGWFUPMQQOC-UHFFFAOYSA-N 1 1 444.535 3.014 50 0 IGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O ZINC000390827090 557239337 /nfs/dbraw/zinc/23/93/37/557239337.db2.gz DVSCLZPQTFJALQ-XWGVYQGASA-N 1 1 441.616 3.407 50 0 IGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1C ZINC000101173035 557260277 /nfs/dbraw/zinc/26/02/77/557260277.db2.gz ODGLKQQJSRDQJP-CMCWBKRRSA-N 1 1 435.911 3.388 50 0 IGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1C ZINC000101173035 557260279 /nfs/dbraw/zinc/26/02/79/557260279.db2.gz ODGLKQQJSRDQJP-CMCWBKRRSA-N 1 1 435.911 3.388 50 0 IGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000101206363 557263312 /nfs/dbraw/zinc/26/33/12/557263312.db2.gz UFBGEQXFROUTKF-UAKAABGRSA-N 1 1 435.911 3.388 50 0 IGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000101206363 557263316 /nfs/dbraw/zinc/26/33/16/557263316.db2.gz UFBGEQXFROUTKF-UAKAABGRSA-N 1 1 435.911 3.388 50 0 IGAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101344003 557279552 /nfs/dbraw/zinc/27/95/52/557279552.db2.gz UFUMDZQDAJGBOA-FVJVTNMWSA-N 1 1 435.911 3.388 50 0 IGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)c2nnc(COC)s2)cc1 ZINC000033032139 557321698 /nfs/dbraw/zinc/32/16/98/557321698.db2.gz YDLPCXBRTATYHV-GOSISDBHSA-N 1 1 445.589 3.321 50 0 IGAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccn2C)C1 ZINC000105009238 557470826 /nfs/dbraw/zinc/47/08/26/557470826.db2.gz NSDOLSVYLRMNIH-PGRDOPGGSA-N 1 1 440.519 3.117 50 0 IGAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccn2C)C1 ZINC000105009238 557470829 /nfs/dbraw/zinc/47/08/29/557470829.db2.gz NSDOLSVYLRMNIH-PGRDOPGGSA-N 1 1 440.519 3.117 50 0 IGAAMO Cc1cc(=O)c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC000109047777 557545700 /nfs/dbraw/zinc/54/57/00/557545700.db2.gz ATIOQVYOHRCPKD-CABCVRRESA-N 1 1 436.478 3.410 50 0 IGAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)cn1 ZINC000225504027 557731332 /nfs/dbraw/zinc/73/13/32/557731332.db2.gz PHFMAEYSGNFDMM-UHFFFAOYSA-N 1 1 439.313 3.255 50 0 IGAAMO CCOC(=O)C1CCN(C(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000034684081 557848407 /nfs/dbraw/zinc/84/84/07/557848407.db2.gz UTMLHLVXETZDFL-UHFFFAOYSA-N 1 1 449.595 3.420 50 0 IGAAMO COc1ccc(-c2noc(N3CCC(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)CC3)n2)cc1 ZINC000009405541 562970082 /nfs/dbraw/zinc/97/00/82/562970082.db2.gz BLMNMQGCYQKRMZ-SFHVURJKSA-N 1 1 441.576 3.200 50 0 IGAAMO C[C@@H](NC(=O)C(=O)N1CCCCC1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288221 563024372 /nfs/dbraw/zinc/02/43/72/563024372.db2.gz CCRRFECERILGNK-KNQAVFIVSA-N 1 1 440.613 3.129 50 0 IGAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC(=O)N(Cc3cccc(Cl)c3)CC2)o1 ZINC000299759573 568755748 /nfs/dbraw/zinc/75/57/48/568755748.db2.gz USIYQFSHEBSYKV-UHFFFAOYSA-N 1 1 431.949 3.447 50 0 IGAAMO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC(=O)N(Cc3cccc(Cl)c3)CC2)o1 ZINC000299759573 568755749 /nfs/dbraw/zinc/75/57/49/568755749.db2.gz USIYQFSHEBSYKV-UHFFFAOYSA-N 1 1 431.949 3.447 50 0 IGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O ZINC000263585072 568758891 /nfs/dbraw/zinc/75/88/91/568758891.db2.gz DVSCLZPQTFJALQ-QPTUXGOLSA-N 1 1 441.616 3.407 50 0 IGAAMO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c(C)c1 ZINC000015671284 568802583 /nfs/dbraw/zinc/80/25/83/568802583.db2.gz MHXYLGRKNCIBGR-UHFFFAOYSA-N 1 1 443.617 3.211 50 0 IGAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015954601 568859640 /nfs/dbraw/zinc/85/96/40/568859640.db2.gz LLNGOVUZHCDVFH-KKPNIWNPSA-N 1 1 429.520 3.351 50 0 IGAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([N@@H+]5CCC[C@@H](C(N)=O)C5)C4=O)cc3)sc2c1 ZINC000018031606 568875805 /nfs/dbraw/zinc/87/58/05/568875805.db2.gz KULZVIFUOPBMBG-APWZRJJASA-N 1 1 448.548 3.101 50 0 IGAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([N@H+]5CCC[C@@H](C(N)=O)C5)C4=O)cc3)sc2c1 ZINC000018031606 568875806 /nfs/dbraw/zinc/87/58/06/568875806.db2.gz KULZVIFUOPBMBG-APWZRJJASA-N 1 1 448.548 3.101 50 0 IGAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229900643 568887036 /nfs/dbraw/zinc/88/70/36/568887036.db2.gz QXYIDKKHZBJMFP-FSBGXSNOSA-N 1 1 442.302 3.425 50 0 IGAAMO O=C1Nc2c(cccc2Cl)[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229900643 568887038 /nfs/dbraw/zinc/88/70/38/568887038.db2.gz QXYIDKKHZBJMFP-FSBGXSNOSA-N 1 1 442.302 3.425 50 0 IGAAMO O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229892105 568887041 /nfs/dbraw/zinc/88/70/41/568887041.db2.gz UVNBHTBTYNDYFU-KCXPTXFHSA-N 1 1 441.409 3.137 50 0 IGAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000064164454 568893405 /nfs/dbraw/zinc/89/34/05/568893405.db2.gz WOUAGUDTSZIBLI-UYFSRDTQSA-N 1 1 425.460 3.113 50 0 IGAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000064164454 568893408 /nfs/dbraw/zinc/89/34/08/568893408.db2.gz WOUAGUDTSZIBLI-UYFSRDTQSA-N 1 1 425.460 3.113 50 0 IGAAMO C/C=C/c1ccc(OCC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC000040119492 568896574 /nfs/dbraw/zinc/89/65/74/568896574.db2.gz NQIIAOBMOLDVNM-SOFGYWHQSA-N 1 1 447.576 3.166 50 0 IGAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)C1 ZINC000241371271 568912192 /nfs/dbraw/zinc/91/21/92/568912192.db2.gz MLYMOVNUUHOSHB-WVSSGHNYSA-N 1 1 440.588 3.075 50 0 IGAAMO CN1c2ccc(S(=O)(=O)N3CCC[N@H+](Cc4cccs4)CC3)c3cccc(c23)C1=O ZINC000089385701 568921389 /nfs/dbraw/zinc/92/13/89/568921389.db2.gz CWMWNSCXNQQXBA-UHFFFAOYSA-N 1 1 441.578 3.388 50 0 IGAAMO CN1c2ccc(S(=O)(=O)N3CCC[N@@H+](Cc4cccs4)CC3)c3cccc(c23)C1=O ZINC000089385701 568921390 /nfs/dbraw/zinc/92/13/90/568921390.db2.gz CWMWNSCXNQQXBA-UHFFFAOYSA-N 1 1 441.578 3.388 50 0 IGAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1Cl ZINC000089457520 568925533 /nfs/dbraw/zinc/92/55/33/568925533.db2.gz HHHVMXNKRMBXKW-SIKLNZKXSA-N 1 1 429.948 3.435 50 0 IGAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H](N3CCOCC3)C2)cc1Cl ZINC000089457520 568925535 /nfs/dbraw/zinc/92/55/35/568925535.db2.gz HHHVMXNKRMBXKW-SIKLNZKXSA-N 1 1 429.948 3.435 50 0 IGAAMO CCCC(=O)N(CCC[NH+]1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000016652284 568929324 /nfs/dbraw/zinc/92/93/24/568929324.db2.gz HUHJXKSJMXAQOT-UHFFFAOYSA-N 1 1 441.572 3.159 50 0 IGAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COCC(C)C ZINC000036151043 568964079 /nfs/dbraw/zinc/96/40/79/568964079.db2.gz KMRKOSOCNCUPGM-OAQYLSRUSA-N 1 1 431.577 3.424 50 0 IGAAMO COc1ccc(CCNC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000036255563 568984968 /nfs/dbraw/zinc/98/49/68/568984968.db2.gz YVCRTLYOFABXNV-DEOSSOPVSA-N 1 1 429.605 3.103 50 0 IGAAMO COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](C)O)CC2CC2)c1 ZINC000169679526 568991029 /nfs/dbraw/zinc/99/10/29/568991029.db2.gz IYKFUFJACGNUFC-VGOFRKELSA-N 1 1 444.597 3.354 50 0 IGAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](C)O ZINC000036308995 568995656 /nfs/dbraw/zinc/99/56/56/568995656.db2.gz ACBRHOSXKLKMMX-DENIHFKCSA-N 1 1 446.613 3.281 50 0 IGAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)[nH+]1 ZINC000064977931 569077814 /nfs/dbraw/zinc/07/78/14/569077814.db2.gz LESITXKGGUTDSR-UHFFFAOYSA-N 1 1 427.505 3.179 50 0 IGAAMO Cc1ccc(Cc2c(C)nc(C)nc2N2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)cc1 ZINC000036340497 569078937 /nfs/dbraw/zinc/07/89/37/569078937.db2.gz URVURBFCYVKGJY-QFIPXVFZSA-N 1 1 426.605 3.291 50 0 IGAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000036341023 569079189 /nfs/dbraw/zinc/07/91/89/569079189.db2.gz CZPASMKJNYZZOP-JOCHJYFZSA-N 1 1 426.948 3.274 50 0 IGAAMO O=C(C[NH+]1CCC2(CC1)OCCO2)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000036342310 569079318 /nfs/dbraw/zinc/07/93/18/569079318.db2.gz KQXXSDDWYOTWAH-QFIPXVFZSA-N 1 1 441.478 3.481 50 0 IGAAMO CCC[NH+]1CCN(C(=O)c2cc3n(n2)C[C@H](c2ccc(Br)cc2)OC3)CC1 ZINC000169759606 569094077 /nfs/dbraw/zinc/09/40/77/569094077.db2.gz LPWWVYHTIRSUHR-LJQANCHMSA-N 1 1 433.350 3.085 50 0 IGAAMO 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Cc1cc(C(=O)NCCC[NH+]2CCOCC2)c(C)n1-c1ccc(N2CCC(C)CC2)nc1 ZINC000033128461 556865587 /nfs/dbraw/zinc/86/55/87/556865587.db2.gz MQVMHRKILUPMIN-UHFFFAOYSA-N 1 1 439.604 3.178 50 0 IGAAMO O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000033128861 556865781 /nfs/dbraw/zinc/86/57/81/556865781.db2.gz UGASHKQEHBKGLL-HXUWFJFHSA-N 1 1 442.007 3.280 50 0 IGAAMO O=C(NC1CCCCC1)N1CC[NH+](CCn2c3ncccc3nc2-c2ccncc2)CC1 ZINC000033139801 556874902 /nfs/dbraw/zinc/87/49/02/556874902.db2.gz WSXGCIPZEFXBEB-UHFFFAOYSA-N 1 1 433.560 3.153 50 0 IGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000033254690 556891132 /nfs/dbraw/zinc/89/11/32/556891132.db2.gz PGXGOLQXWCGIDO-KRWDZBQOSA-N 1 1 442.025 3.121 50 0 IGAAMO C[NH+]1CCN(C(=O)[C@@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=O)OC(C)(C)C)CC1 ZINC000019831652 556926758 /nfs/dbraw/zinc/92/67/58/556926758.db2.gz NLIAVDCNCCSWAV-FUHWJXTLSA-N 1 1 425.982 3.465 50 0 IGAAMO COc1ccc(F)c(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 ZINC000019837638 556928425 /nfs/dbraw/zinc/92/84/25/556928425.db2.gz BISOOOXJDZDTPJ-OAQYLSRUSA-N 1 1 441.507 3.204 50 0 IGAAMO COc1ccc(F)c(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 ZINC000019837638 556928428 /nfs/dbraw/zinc/92/84/28/556928428.db2.gz BISOOOXJDZDTPJ-OAQYLSRUSA-N 1 1 441.507 3.204 50 0 IGAAMO O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCCC[NH+]1CCOCC1 ZINC000019894377 556940450 /nfs/dbraw/zinc/94/04/50/556940450.db2.gz LRYHHJBEYIREKE-UHFFFAOYSA-N 1 1 446.520 3.155 50 0 IGAAMO CC[NH+]1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000020351436 557009182 /nfs/dbraw/zinc/00/91/82/557009182.db2.gz WXFLFIPDWYRPIZ-UHFFFAOYSA-N 1 1 435.634 3.099 50 0 IGAAMO Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000048252829 557052238 /nfs/dbraw/zinc/05/22/38/557052238.db2.gz UHSKBFIMIQSSFK-UHFFFAOYSA-N 1 1 425.558 3.107 50 0 IGAAMO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017357985 557063859 /nfs/dbraw/zinc/06/38/59/557063859.db2.gz SUAMRJUYQGLTNA-UHFFFAOYSA-N 1 1 427.961 3.232 50 0 IGAAMO CCN1CCN(C[C@H](O)COc2cccc(C[NH2+]CCc3ccc(Cl)cc3)c2)CC1 ZINC000023358895 557087647 /nfs/dbraw/zinc/08/76/47/557087647.db2.gz NZKQWHSRORVFGH-QHCPKHFHSA-N 1 1 432.008 3.050 50 0 IGAAMO O=C(C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)N1CCN(c2ccccc2)CC1 ZINC000049403555 557099287 /nfs/dbraw/zinc/09/92/87/557099287.db2.gz ZNIZMLLSELRHSD-UHFFFAOYSA-N 1 1 449.530 3.404 50 0 IGAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000049735336 557118409 /nfs/dbraw/zinc/11/84/09/557118409.db2.gz KYVZENSNHRAAHQ-RPWDQDSNSA-N 1 1 442.302 3.425 50 0 IGAAMO CCCN1CC[NH+](C[C@H](O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000025480325 557211953 /nfs/dbraw/zinc/21/19/53/557211953.db2.gz HRHHUJZIIOFION-QFIPXVFZSA-N 1 1 428.573 3.198 50 0 IGAAMO O=C(Cn1c2ccccc2nc1C(F)(F)F)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217161 557252601 /nfs/dbraw/zinc/25/26/01/557252601.db2.gz GGKCUEVRIVQWIT-UHFFFAOYSA-N 1 1 432.446 3.204 50 0 IGAAMO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2)CC1 ZINC000018232379 557253219 /nfs/dbraw/zinc/25/32/19/557253219.db2.gz GXDLEJIIZXCBNS-QHCPKHFHSA-N 1 1 441.597 3.236 50 0 IGAAMO CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2)CC1 ZINC000018232379 557253224 /nfs/dbraw/zinc/25/32/24/557253224.db2.gz GXDLEJIIZXCBNS-QHCPKHFHSA-N 1 1 441.597 3.236 50 0 IGAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C2CC2)CC1 ZINC000014970792 557262367 /nfs/dbraw/zinc/26/23/67/557262367.db2.gz SKABPDVYIFPLIC-UHFFFAOYSA-N 1 1 442.567 3.473 50 0 IGAAMO O=C(NCC(F)(F)F)C1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000027779629 557273837 /nfs/dbraw/zinc/27/38/37/557273837.db2.gz QWFLWSGWCSZGDU-UHFFFAOYSA-N 1 1 437.256 3.111 50 0 IGAAMO CSc1ccccc1NC(=O)[C@H](C)N(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013119708 557296557 /nfs/dbraw/zinc/29/65/57/557296557.db2.gz JYOZDUJUNXECSI-IBGZPJMESA-N 1 1 440.613 3.012 50 0 IGAAMO COCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000045974149 557556082 /nfs/dbraw/zinc/55/60/82/557556082.db2.gz OCHUGKDWXPCBAE-UHFFFAOYSA-N 1 1 447.919 3.022 50 0 IGAAMO COCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000045974149 557556084 /nfs/dbraw/zinc/55/60/84/557556084.db2.gz OCHUGKDWXPCBAE-UHFFFAOYSA-N 1 1 447.919 3.022 50 0 IGAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000229758099 557833017 /nfs/dbraw/zinc/83/30/17/557833017.db2.gz MPSDIUNPKJSJKX-LVCYWYKZSA-N 1 1 431.577 3.312 50 0 IGAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000229758099 557833019 /nfs/dbraw/zinc/83/30/19/557833019.db2.gz MPSDIUNPKJSJKX-LVCYWYKZSA-N 1 1 431.577 3.312 50 0 IGAAMO COc1ccc(Nc2cc(C(=O)NCCC[NH+]3CCN(C)CC3)c3ccccc3n2)cc1 ZINC000020212215 563024044 /nfs/dbraw/zinc/02/40/44/563024044.db2.gz CBTGAQFHGQPACJ-UHFFFAOYSA-N 1 1 433.556 3.354 50 0 IGAAMO Cc1c[nH]c2nc[nH+]c(N3CCN(C(=O)Nc4cccc(OC(=O)N(C)C)c4)[C@@H](C)C3)c12 ZINC000045254824 563127110 /nfs/dbraw/zinc/12/71/10/563127110.db2.gz MVPARBNSRQJBEM-HNNXBMFYSA-N 1 1 437.504 3.069 50 0 IGAAMO C[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000253602919 568644153 /nfs/dbraw/zinc/64/41/53/568644153.db2.gz GVWPKKPYEKPYCT-RBUKOAKNSA-N 1 1 435.547 3.197 50 0 IGAAMO C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCCCC[N@H+]3CCCC[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000063307024 568738642 /nfs/dbraw/zinc/73/86/42/568738642.db2.gz GZSWWXAUPPBCSR-PWRODBHTSA-N 1 1 444.620 3.390 50 0 IGAAMO Cc1cc(C(=O)N2CCC3(C[C@@H]3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c(C)o1 ZINC000299760893 568755723 /nfs/dbraw/zinc/75/57/23/568755723.db2.gz RZYHIPRZJYPFJX-HSZRJFAPSA-N 1 1 435.568 3.483 50 0 IGAAMO O=C(NCCC[NH+]1CCOCC1)c1c[nH]c2cc(Br)c(Br)cc21 ZINC000084338793 568797119 /nfs/dbraw/zinc/79/71/19/568797119.db2.gz NTXDDDBCNNPLNJ-UHFFFAOYSA-N 1 1 445.155 3.145 50 0 IGAAMO CCC[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000084750357 568801014 /nfs/dbraw/zinc/80/10/14/568801014.db2.gz JXKHJAIEPFCSNA-PMACEKPBSA-N 1 1 437.606 3.112 50 0 IGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000524730832 568904173 /nfs/dbraw/zinc/90/41/73/568904173.db2.gz YTSZHHLZYOSNQG-KMDXXIMOSA-N 1 1 441.616 3.165 50 0 IGAAMO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000242106317 568912603 /nfs/dbraw/zinc/91/26/03/568912603.db2.gz WIRRNMYMADBDMQ-JKSUJKDBSA-N 1 1 426.604 3.467 50 0 IGAAMO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000242106317 568912604 /nfs/dbraw/zinc/91/26/04/568912604.db2.gz WIRRNMYMADBDMQ-JKSUJKDBSA-N 1 1 426.604 3.467 50 0 IGAAMO CCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000245253749 568913509 /nfs/dbraw/zinc/91/35/09/568913509.db2.gz MSJJTVWAATYDKJ-JKFKMHIGSA-N 1 1 434.577 3.297 50 0 IGAAMO CCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000245253749 568913510 /nfs/dbraw/zinc/91/35/10/568913510.db2.gz MSJJTVWAATYDKJ-JKFKMHIGSA-N 1 1 434.577 3.297 50 0 IGAAMO COc1ccc(COCCCC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000089382534 568921467 /nfs/dbraw/zinc/92/14/67/568921467.db2.gz DIXIWZZCTZXQBY-VWLOTQADSA-N 1 1 439.600 3.487 50 0 IGAAMO COc1ccc(COCCCC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000089382534 568921470 /nfs/dbraw/zinc/92/14/70/568921470.db2.gz DIXIWZZCTZXQBY-VWLOTQADSA-N 1 1 439.600 3.487 50 0 IGAAMO COc1ccc(COCCCC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000089382534 568921473 /nfs/dbraw/zinc/92/14/73/568921473.db2.gz DIXIWZZCTZXQBY-VWLOTQADSA-N 1 1 439.600 3.487 50 0 IGAAMO CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776110 568955109 /nfs/dbraw/zinc/95/51/09/568955109.db2.gz YKENECVFAKRLCC-QFIPXVFZSA-N 1 1 443.551 3.184 50 0 IGAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](C)O ZINC000036310116 568996432 /nfs/dbraw/zinc/99/64/32/568996432.db2.gz RAEVWYKGRHXDMI-CTNGQTDRSA-N 1 1 446.613 3.199 50 0 IGAAMO COCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](C)O ZINC000036310116 568996433 /nfs/dbraw/zinc/99/64/33/568996433.db2.gz RAEVWYKGRHXDMI-CTNGQTDRSA-N 1 1 446.613 3.199 50 0 IGAAMO CC(C)NC(=O)N1CC[NH+]([C@H](C(=O)N[C@H](C)CCc2ccccc2)C2CCCC2)CC1 ZINC000036310579 568996683 /nfs/dbraw/zinc/99/66/83/568996683.db2.gz QNCRDDMHWNPHED-OFNKIYASSA-N 1 1 428.621 3.418 50 0 IGAAMO Cc1ccc(-c2nc(-c3ccc(C(=O)NCCC[NH+]4CCN(C)CC4)s3)no2)cc1 ZINC000065062956 569097737 /nfs/dbraw/zinc/09/77/37/569097737.db2.gz JRHWUACZXNFZGT-UHFFFAOYSA-N 1 1 425.558 3.141 50 0 IGAAMO O=C(C[NH+]1CCC(c2nc(-c3cccc(F)c3)no2)CC1)NCc1ccc2c(c1)OCO2 ZINC000065184225 569114108 /nfs/dbraw/zinc/11/41/08/569114108.db2.gz DHYPUHJRNDIVPN-UHFFFAOYSA-N 1 1 438.459 3.100 50 0 IGAAMO CCCN1CCN(c2nnc(-n3cccc3C[NH2+]Cc3ccc(OC)cc3)s2)CC1 ZINC000007002077 569117508 /nfs/dbraw/zinc/11/75/08/569117508.db2.gz PJYPNEAKBGDEBB-UHFFFAOYSA-N 1 1 426.590 3.159 50 0 IGAAMO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[N@H+]5CCC[C@H](C)C5)n4)ccn3n2)cc1C ZINC000065235823 569119378 /nfs/dbraw/zinc/11/93/78/569119378.db2.gz WZBZJENTMDNDOO-INIZCTEOSA-N 1 1 432.528 3.443 50 0 IGAAMO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[N@@H+]5CCC[C@H](C)C5)n4)ccn3n2)cc1C ZINC000065235823 569119380 /nfs/dbraw/zinc/11/93/80/569119380.db2.gz WZBZJENTMDNDOO-INIZCTEOSA-N 1 1 432.528 3.443 50 0 IGAAMO CC[C@@H]1CCCC[N@@H+]1Cc1nc(Cn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)no1 ZINC000065235980 569119582 /nfs/dbraw/zinc/11/95/82/569119582.db2.gz PNCQBBVTLDLGQX-GOSISDBHSA-N 1 1 448.527 3.367 50 0 IGAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc(Cn2ccn3nc(-c4ccc(OC)cc4)cc3c2=O)no1 ZINC000065235980 569119583 /nfs/dbraw/zinc/11/95/83/569119583.db2.gz PNCQBBVTLDLGQX-GOSISDBHSA-N 1 1 448.527 3.367 50 0 IGAAMO CCc1nnc(-c2nnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc32)o1 ZINC000065258184 569124374 /nfs/dbraw/zinc/12/43/74/569124374.db2.gz DVPYHRYGCUXGOH-UHFFFAOYSA-N 1 1 444.495 3.293 50 0 IGAAMO C[N@@H+](CCCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)Cc1ccccc1 ZINC000036717829 569136973 /nfs/dbraw/zinc/13/69/73/569136973.db2.gz MKMOOTKEMKOKBC-HSZRJFAPSA-N 1 1 431.536 3.485 50 0 IGAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000249691143 569155358 /nfs/dbraw/zinc/15/53/58/569155358.db2.gz LCYCYKCRGGTNNL-XHOYROJHSA-N 1 1 435.911 3.186 50 0 IGAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252444459 569183767 /nfs/dbraw/zinc/18/37/67/569183767.db2.gz FVQOJZMQWHKUOU-UXHICEINSA-N 1 1 427.497 3.246 50 0 IGAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252444459 569183768 /nfs/dbraw/zinc/18/37/68/569183768.db2.gz FVQOJZMQWHKUOU-UXHICEINSA-N 1 1 427.497 3.246 50 0 IGAAMO C[C@@H]1C[C@@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCN1C(=O)OC(C)(C)C ZINC000252480897 569186378 /nfs/dbraw/zinc/18/63/78/569186378.db2.gz CGANAKFHMFTXPF-GIVPXCGWSA-N 1 1 431.577 3.182 50 0 IGAAMO C[C@@H]1C[C@@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCN1C(=O)OC(C)(C)C ZINC000252480897 569186380 /nfs/dbraw/zinc/18/63/80/569186380.db2.gz CGANAKFHMFTXPF-GIVPXCGWSA-N 1 1 431.577 3.182 50 0 IGAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccc(OC)c2)C[C@H]1c1cccc(OC)c1)C(C)=O ZINC000253388877 569264346 /nfs/dbraw/zinc/26/43/46/569264346.db2.gz UUXWJLWDEHYVND-DHLKQENFSA-N 1 1 426.557 3.414 50 0 IGAAMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013040089 569308037 /nfs/dbraw/zinc/30/80/37/569308037.db2.gz YDEASLAWZSNFMS-SFHVURJKSA-N 1 1 445.585 3.329 50 0 IGAAMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013040089 569308038 /nfs/dbraw/zinc/30/80/38/569308038.db2.gz YDEASLAWZSNFMS-SFHVURJKSA-N 1 1 445.585 3.329 50 0 IGAAMO O=C(Cc1nn(Cc2ccccc2)c(=O)c2ccccc12)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079189742 569327987 /nfs/dbraw/zinc/32/79/87/569327987.db2.gz TYBPHPWORRHIGX-SQJMNOBHSA-N 1 1 444.579 3.368 50 0 IGAAMO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)[C@@H](c2ccccc2)C1 ZINC000095469740 569371704 /nfs/dbraw/zinc/37/17/04/569371704.db2.gz FVCZPGAGOSRUJC-HSZRJFAPSA-N 1 1 437.565 3.024 50 0 IGAAMO C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)[C@@H](c2ccccc2)C1 ZINC000095469740 569371705 /nfs/dbraw/zinc/37/17/05/569371705.db2.gz FVCZPGAGOSRUJC-HSZRJFAPSA-N 1 1 437.565 3.024 50 0 IGAAMO COC(=O)c1cn(C2CC[NH+]([C@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)CC2)nn1 ZINC000095940229 569375452 /nfs/dbraw/zinc/37/54/52/569375452.db2.gz JZVCNGARBPSMJT-QFIPXVFZSA-N 1 1 433.512 3.390 50 0 IGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21 ZINC000230080891 569434252 /nfs/dbraw/zinc/43/42/52/569434252.db2.gz QQFZVKLOOLULLM-OFNKIYASSA-N 1 1 436.556 3.319 50 0 IGAAMO COc1ccc(-c2noc(CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)n2)cc1OC ZINC000503922513 569441554 /nfs/dbraw/zinc/44/15/54/569441554.db2.gz WONADYUPQGLGDE-QZTJIDSGSA-N 1 1 428.533 3.067 50 0 IGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCCN1c2c(C)nn(-c3ccccc3)c2SCC1=O ZINC000015735121 569448096 /nfs/dbraw/zinc/44/80/96/569448096.db2.gz 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C[C@@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035422024 524106961 /nfs/dbraw/zinc/10/69/61/524106961.db2.gz RRJZGEADWYVAHD-OAQYLSRUSA-N 1 1 442.648 3.123 50 0 IGAAMO C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035422024 524106966 /nfs/dbraw/zinc/10/69/66/524106966.db2.gz RRJZGEADWYVAHD-OAQYLSRUSA-N 1 1 442.648 3.123 50 0 IGAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cc(CC(C)C)nc(=O)[nH]2)C1 ZINC000012438031 524409154 /nfs/dbraw/zinc/40/91/54/524409154.db2.gz LKORBJRFSMAYOP-LJQANCHMSA-N 1 1 440.588 3.004 50 0 IGAAMO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1OC ZINC000033318634 524550445 /nfs/dbraw/zinc/55/04/45/524550445.db2.gz WVKMMMKNAPOGKJ-UHFFFAOYSA-N 1 1 440.548 3.147 50 0 IGAAMO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000016600108 524643565 /nfs/dbraw/zinc/64/35/65/524643565.db2.gz SFUQSMJCMSEHQU-UHFFFAOYSA-N 1 1 433.574 3.345 50 0 IGAAMO 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OTTXTXCDQWKBEW-OAHLLOKOSA-N 1 1 427.455 3.263 50 0 IGAAMO CC[NH+]1CCN(C(=O)c2cccc(CN3CCN(c4cccc(Cl)c4)CC3)c2)CC1 ZINC000034668635 555792322 /nfs/dbraw/zinc/79/23/22/555792322.db2.gz AFYLDOFBBPFNGL-UHFFFAOYSA-N 1 1 426.992 3.440 50 0 IGAAMO O=C(Nc1ccc(Cl)cc1)c1coc(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000034677520 555795646 /nfs/dbraw/zinc/79/56/46/555795646.db2.gz PYCBBLGOZODJQA-OAQYLSRUSA-N 1 1 440.931 3.432 50 0 IGAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([N@@H+]5CCC[C@H](C(N)=O)C5)C4=O)cc3)sc2c1 ZINC000008414691 556167406 /nfs/dbraw/zinc/16/74/06/556167406.db2.gz KULZVIFUOPBMBG-QFBILLFUSA-N 1 1 448.548 3.101 50 0 IGAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([N@H+]5CCC[C@H](C(N)=O)C5)C4=O)cc3)sc2c1 ZINC000008414691 556167409 /nfs/dbraw/zinc/16/74/09/556167409.db2.gz KULZVIFUOPBMBG-QFBILLFUSA-N 1 1 448.548 3.101 50 0 IGAAMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC(N)=O)c2ccc(OC)cc2)cc1 ZINC000032773048 556335605 /nfs/dbraw/zinc/33/56/05/556335605.db2.gz ZOQODUWFLHGFOY-QFIPXVFZSA-N 1 1 425.529 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O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000095947237 569376447 /nfs/dbraw/zinc/37/64/47/569376447.db2.gz KYEWLNMCNVWEKF-SIKLNZKXSA-N 1 1 425.504 3.076 50 0 IGAAMO CCOc1ccccc1N1C[C@H](C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000095995134 569378646 /nfs/dbraw/zinc/37/86/46/569378646.db2.gz YDYOORRNCVKOJW-KSEOMHKRSA-N 1 1 435.568 3.465 50 0 IGAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1Cl ZINC000096126922 569385752 /nfs/dbraw/zinc/38/57/52/569385752.db2.gz FLOZCVHFZODQBM-IBGZPJMESA-N 1 1 441.915 3.331 50 0 IGAAMO CC(C)CN(C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1cccc(F)c1 ZINC000096281267 569389763 /nfs/dbraw/zinc/38/97/63/569389763.db2.gz XFZDUGHBTZAZOC-RPWUZVMVSA-N 1 1 428.548 3.228 50 0 IGAAMO CC(C)CN(C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1cccc(F)c1 ZINC000096281267 569389764 /nfs/dbraw/zinc/38/97/64/569389764.db2.gz XFZDUGHBTZAZOC-RPWUZVMVSA-N 1 1 428.548 3.228 50 0 IGAAMO CC(C)(C)NC(=O)CN1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000028889910 569423238 /nfs/dbraw/zinc/42/32/38/569423238.db2.gz DEXXLCIIVKMWOM-UHFFFAOYSA-N 1 1 429.392 3.244 50 0 IGAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)n2)cc1OC ZINC000029192817 569428603 /nfs/dbraw/zinc/42/86/03/569428603.db2.gz MVTHJMUFAFMLQK-UHFFFAOYSA-N 1 1 428.533 3.368 50 0 IGAAMO COC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000057415884 569434256 /nfs/dbraw/zinc/43/42/56/569434256.db2.gz CCIOXJAKUKDSKB-OAQYLSRUSA-N 1 1 425.554 3.484 50 0 IGAAMO CCC[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000230089042 569434265 /nfs/dbraw/zinc/43/42/65/569434265.db2.gz PPXYOHXTTKWUHJ-FCHUYYIVSA-N 1 1 445.604 3.007 50 0 IGAAMO CCC[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000230160388 569439767 /nfs/dbraw/zinc/43/97/67/569439767.db2.gz JXKHJAIEPFCSNA-VQTJNVASSA-N 1 1 437.606 3.112 50 0 IGAAMO COc1cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc(OC)c1Br ZINC000057763740 569441313 /nfs/dbraw/zinc/44/13/13/569441313.db2.gz CTRKIBJBTYPZBO-UHFFFAOYSA-N 1 1 433.346 3.467 50 0 IGAAMO COCC[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)C1CCCC1 ZINC000058159289 569449081 /nfs/dbraw/zinc/44/90/81/569449081.db2.gz KXTUUZIDYDLLKP-UHFFFAOYSA-N 1 1 445.585 3.341 50 0 IGAAMO CCNc1cc(NCCNS(=O)(=O)c2ccc(-c3csc(C)n3)s2)[nH+]c(C)n1 ZINC000038488319 569463022 /nfs/dbraw/zinc/46/30/22/569463022.db2.gz JKQBRRRAMQAHTG-UHFFFAOYSA-N 1 1 438.604 3.101 50 0 IGAAMO COc1cccc(-c2cc3c(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)nccn3n2)c1 ZINC000067284861 569466797 /nfs/dbraw/zinc/46/67/97/569466797.db2.gz PAJKHUBYFAXOGO-UHFFFAOYSA-N 1 1 443.507 3.456 50 0 IGAAMO Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000069879951 569522641 /nfs/dbraw/zinc/52/26/41/569522641.db2.gz WOHBTLZGHJOZPS-OAQYLSRUSA-N 1 1 449.530 3.182 50 0 IGAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000009478535 569539393 /nfs/dbraw/zinc/53/93/93/569539393.db2.gz AOVXLKFCLQDBIE-VQTJNVASSA-N 1 1 446.551 3.025 50 0 IGAAMO COC(=O)c1sc(NC(=O)CC[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(C(=O)OC)c1C ZINC000009957594 569574814 /nfs/dbraw/zinc/57/48/14/569574814.db2.gz OUNBWQSOXFSIIZ-LLVKDONJSA-N 1 1 436.452 3.233 50 0 IGAAMO CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC)c1ccccc1 ZINC000010131598 569578002 /nfs/dbraw/zinc/57/80/02/569578002.db2.gz LSSBTERXXPLLSF-OAQYLSRUSA-N 1 1 426.513 3.437 50 0 IGAAMO CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC)c1ccccc1 ZINC000010131598 569578003 /nfs/dbraw/zinc/57/80/03/569578003.db2.gz LSSBTERXXPLLSF-OAQYLSRUSA-N 1 1 426.513 3.437 50 0 IGAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C[C@H](C)O1 ZINC000071850946 569582444 /nfs/dbraw/zinc/58/24/44/569582444.db2.gz JYBVUDKOVSMKME-CALCHBBNSA-N 1 1 425.558 3.225 50 0 IGAAMO O=C(COc1ccc(Cl)cc1)N1CC[NH+]([C@H](C(=O)N2CCCCC2)C2CCCC2)CC1 ZINC000036250067 569588004 /nfs/dbraw/zinc/58/80/04/569588004.db2.gz VYGLIJKHLLBXLG-QHCPKHFHSA-N 1 1 448.007 3.434 50 0 IGAAMO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCC[NH+]4CCOCC4)c3n2)cc1 ZINC000019773752 193918335 /nfs/dbraw/zinc/91/83/35/193918335.db2.gz CXHQBVGVCQICRA-UHFFFAOYSA-N 1 1 447.461 3.176 50 0 IGAAMO C[NH+]1CCN(c2ncnc3c2sc2nc(N4CCCC4)c4c(c23)CC(C)(C)OC4)CC1 ZINC000002392015 132253541 /nfs/dbraw/zinc/25/35/41/132253541.db2.gz SHVORUZHINNLNZ-UHFFFAOYSA-N 1 1 438.601 3.443 50 0 IGAAMO Cc1ccc(Cc2nnc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)o2)cc1 ZINC000009561257 132321511 /nfs/dbraw/zinc/32/15/11/132321511.db2.gz YGZKJAOKNLEZFE-UHFFFAOYSA-N 1 1 437.519 3.050 50 0 IGAAMO O=C(c1ccc(N2CCOCC2)nc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013468868 132346998 /nfs/dbraw/zinc/34/69/98/132346998.db2.gz MRUYHRQADWAZSB-UHFFFAOYSA-N 1 1 442.563 3.466 50 0 IGAAMO O=C(c1cccnc1N1CCOCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014204945 132356742 /nfs/dbraw/zinc/35/67/42/132356742.db2.gz BCTOWOZJKQYJCY-UHFFFAOYSA-N 1 1 442.563 3.466 50 0 IGAAMO CC(C)c1ccc(C[NH+]2CCN(C(=O)CNC(=O)c3ccc(Br)o3)CC2)cc1 ZINC000022226822 519836060 /nfs/dbraw/zinc/83/60/60/519836060.db2.gz XJPYYNPGSIQRNL-UHFFFAOYSA-N 1 1 448.361 3.240 50 0 IGAAMO CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560234 520513377 /nfs/dbraw/zinc/51/33/77/520513377.db2.gz CKNRQAYCIWLSPY-QHCPKHFHSA-N 1 1 440.588 3.116 50 0 IGAAMO CCCC[C@@H]1C[N@@H+](CCC(=O)NCc2nc3ccccc3c(=O)[nH]2)Cc2ccccc2O1 ZINC000012244944 521116298 /nfs/dbraw/zinc/11/62/98/521116298.db2.gz ABIKKFOJLGOHTO-LJQANCHMSA-N 1 1 434.540 3.383 50 0 IGAAMO CCOC(=O)c1ccc(NCc2cccn2-c2nnc(N3CC[NH+](CC)CC3)s2)cc1 ZINC000021880875 521519110 /nfs/dbraw/zinc/51/91/10/521519110.db2.gz NRQJZCOCLQOHDQ-UHFFFAOYSA-N 1 1 440.573 3.260 50 0 IGAAMO CCN1CC[NH+](CCCNC(=O)c2oc3ccc4c(c3c2C)[C@H](O)CC(C)(C)O4)CC1 ZINC000020560073 521682502 /nfs/dbraw/zinc/68/25/02/521682502.db2.gz IQSYBHHZGHVOOU-QGZVFWFLSA-N 1 1 429.561 3.093 50 0 IGAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)NCc3ccccc3Cl)s2)CC1 ZINC000021535322 521701952 /nfs/dbraw/zinc/70/19/52/521701952.db2.gz UVTUHFOIGWFGRR-UHFFFAOYSA-N 1 1 430.965 3.054 50 0 IGAAMO COC(=O)c1c(OC2CCCC2)cc(=O)n2c1CC[N@@H+](Cc1c[nH]c3ccccc13)CC2 ZINC000020600187 521775438 /nfs/dbraw/zinc/77/54/38/521775438.db2.gz ASMPZANJPWVMQN-UHFFFAOYSA-N 1 1 435.524 3.496 50 0 IGAAMO COc1cc(=O)n2c(c1C(=O)N(C)[C@H](C)c1ccco1)CC[N@H+](Cc1ccccc1)CC2 ZINC000020598646 522014940 /nfs/dbraw/zinc/01/49/40/522014940.db2.gz BOXVCVABTQNJTL-GOSISDBHSA-N 1 1 435.524 3.341 50 0 IGAAMO COc1cc(CN(C)Cc2nnc(C)o2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012092816 522354730 /nfs/dbraw/zinc/35/47/30/522354730.db2.gz PCDASUHQETUXRR-FQEVSTJZSA-N 1 1 432.565 3.023 50 0 IGAAMO COc1cc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)ccc1F ZINC000012159229 522399223 /nfs/dbraw/zinc/39/92/23/522399223.db2.gz SZCNYPGCOYAWNU-OAQYLSRUSA-N 1 1 441.507 3.204 50 0 IGAAMO COc1cc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)ccc1F ZINC000012159229 522399233 /nfs/dbraw/zinc/39/92/33/522399233.db2.gz SZCNYPGCOYAWNU-OAQYLSRUSA-N 1 1 441.507 3.204 50 0 IGAAMO COc1ccc(/C=C2/c3ccc(Cl)cc3N(CN3CC[NH+](C)CC3)C2=O)cc1OC ZINC000020650033 523416734 /nfs/dbraw/zinc/41/67/34/523416734.db2.gz MMURXVJLXKUDLJ-UNOMPAQXSA-N 1 1 427.932 3.449 50 0 IGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)cc1OC ZINC000020908685 523775834 /nfs/dbraw/zinc/77/58/34/523775834.db2.gz VBSSJVPIYVKBRA-GOSISDBHSA-N 1 1 435.524 3.239 50 0 IGAAMO COc1ccc(C[N@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)cc1Cn1cncn1 ZINC000012449385 524028782 /nfs/dbraw/zinc/02/87/82/524028782.db2.gz BMCIPXTWFYIZMK-NRFANRHFSA-N 1 1 435.528 3.183 50 0 IGAAMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000022912072 524275293 /nfs/dbraw/zinc/27/52/93/524275293.db2.gz SIHHGRJNKHWOGX-NRFANRHFSA-N 1 1 445.991 3.091 50 0 IGAAMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000022934008 524276485 /nfs/dbraw/zinc/27/64/85/524276485.db2.gz JQEJANKDFCVDKL-UHFFFAOYSA-N 1 1 430.499 3.167 50 0 IGAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN(C)C(=O)Cc3c(F)cccc3Cl)CC2)c1 ZINC000022228240 524396147 /nfs/dbraw/zinc/39/61/47/524396147.db2.gz XSNMZAXFCLKYJU-UHFFFAOYSA-N 1 1 431.939 3.133 50 0 IGAAMO COc1ccccc1CN1C[C@@H](C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CCC1=O ZINC000020450478 524455321 /nfs/dbraw/zinc/45/53/21/524455321.db2.gz SRBJTRAOLNQEMM-QHCPKHFHSA-N 1 1 435.568 3.087 50 0 IGAAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(NC(C)=O)cc2)[NH+]2CCCCC2)cc1 ZINC000012773147 525188465 /nfs/dbraw/zinc/18/84/65/525188465.db2.gz LDTXGNQEXCGZQT-JOCHJYFZSA-N 1 1 431.558 3.159 50 0 IGAAMO COc1ccc2c(C)c(CCC(=O)NCC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)c(=O)oc2c1 ZINC000021064012 525497617 /nfs/dbraw/zinc/49/76/17/525497617.db2.gz ZEQFHKGNHMFSOR-HZPDHXFCSA-N 1 1 430.545 3.047 50 0 IGAAMO COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000012820303 525730790 /nfs/dbraw/zinc/73/07/90/525730790.db2.gz KYZNLXBXDGSTPZ-UHFFFAOYSA-N 1 1 434.540 3.059 50 0 IGAAMO Cc1cn2cc(CNC(=O)c3ccc(C[N@@H+](C)[C@@H](C)c4ccco4)[nH]c3=O)nc2s1 ZINC000012242349 525948561 /nfs/dbraw/zinc/94/85/61/525948561.db2.gz BZBWCBBDVCGSEG-AWEZNQCLSA-N 1 1 425.514 3.109 50 0 IGAAMO Cc1cn2cc(CNC(=O)c3ccc(C[N@H+](C)[C@@H](C)c4ccco4)[nH]c3=O)nc2s1 ZINC000012242349 525948569 /nfs/dbraw/zinc/94/85/69/525948569.db2.gz BZBWCBBDVCGSEG-AWEZNQCLSA-N 1 1 425.514 3.109 50 0 IGAAMO COc1cccc(NC(=O)COc2ccc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cc2)c1 ZINC000012770411 526179075 /nfs/dbraw/zinc/17/90/75/526179075.db2.gz QMYIZHQLWAYKFH-OAQYLSRUSA-N 1 1 437.496 3.338 50 0 IGAAMO Cc1cc(C(=O)N2CCC(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc(C)n1 ZINC000012471411 526238601 /nfs/dbraw/zinc/23/86/01/526238601.db2.gz MMLQNRDVDBRUBF-HSZRJFAPSA-N 1 1 449.599 3.117 50 0 IGAAMO O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCC1([NH+]2CCOCC2)CCCC1 ZINC000020451240 526563418 /nfs/dbraw/zinc/56/34/18/526563418.db2.gz GTQUSDTXUSGGGG-QHCPKHFHSA-N 1 1 448.007 3.073 50 0 IGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000012788089 527047211 /nfs/dbraw/zinc/04/72/11/527047211.db2.gz HBZGWAFVLCIUDF-QFIPXVFZSA-N 1 1 439.515 3.487 50 0 IGAAMO Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000012737748 527447512 /nfs/dbraw/zinc/44/75/12/527447512.db2.gz FTOMXIAUSRQLBG-OAQYLSRUSA-N 1 1 449.580 3.280 50 0 IGAAMO Cn1ccnc1SCC(=O)Nc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000012737748 527447520 /nfs/dbraw/zinc/44/75/20/527447520.db2.gz FTOMXIAUSRQLBG-OAQYLSRUSA-N 1 1 449.580 3.280 50 0 IGAAMO Cc1nn(C)c(C)c1CN(Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1)C1CC1 ZINC000012593900 527627736 /nfs/dbraw/zinc/62/77/36/527627736.db2.gz HVYHOCJGOTWXTH-HSZRJFAPSA-N 1 1 426.605 3.427 50 0 IGAAMO CC(C)CN(C[C@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034667252 555791329 /nfs/dbraw/zinc/79/13/29/555791329.db2.gz NQXLPIDHSRQHTR-DNQXCXABSA-N 1 1 428.548 3.228 50 0 IGAAMO CC(C)CN(C[C@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034667252 555791334 /nfs/dbraw/zinc/79/13/34/555791334.db2.gz NQXLPIDHSRQHTR-DNQXCXABSA-N 1 1 428.548 3.228 50 0 IGAAMO 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/nfs/dbraw/zinc/88/62/51/556886251.db2.gz SAERJFLRPJCWHT-UHFFFAOYSA-N 1 1 446.580 3.195 50 0 IGAAMO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019791019 556914768 /nfs/dbraw/zinc/91/47/68/556914768.db2.gz NUKROBUVJJMZBK-OAQYLSRUSA-N 1 1 426.557 3.405 50 0 IGAAMO O=C(CCC1CCCCC1)N1CC[C@@H]([NH+]2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000020166507 556993743 /nfs/dbraw/zinc/99/37/43/556993743.db2.gz AQZZGDPFMPFGPV-JWQCQUIFSA-N 1 1 427.633 3.169 50 0 IGAAMO O=C(Nc1cnccn1)[C@@H]1CCC[N@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000048285890 557058099 /nfs/dbraw/zinc/05/80/99/557058099.db2.gz GVORJNDDFIKIQA-QGZVFWFLSA-N 1 1 446.536 3.064 50 0 IGAAMO O=C(Nc1cnccn1)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000048285890 557058101 /nfs/dbraw/zinc/05/81/01/557058101.db2.gz GVORJNDDFIKIQA-QGZVFWFLSA-N 1 1 446.536 3.064 50 0 IGAAMO CCCCN(C)c1ncc(Cl)c(C(=O)NCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000048308623 557059483 /nfs/dbraw/zinc/05/94/83/557059483.db2.gz RNZGTXLSMVLAJY-HXUWFJFHSA-N 1 1 445.011 3.085 50 0 IGAAMO Cc1ccsc1C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)c3cc(F)ccc3F)n2CC1 ZINC000023129317 557066244 /nfs/dbraw/zinc/06/62/44/557066244.db2.gz AQTBCYOBSYJUNM-CQSZACIVSA-N 1 1 431.512 3.476 50 0 IGAAMO CC[NH+]1CCN(C2CCN(C(=O)c3ccc(-c4cccs4)nc3N(C)C)CC2)CC1 ZINC000023340049 557085930 /nfs/dbraw/zinc/08/59/30/557085930.db2.gz KBBRSRGSABTGEO-UHFFFAOYSA-N 1 1 427.618 3.118 50 0 IGAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000024685197 557158733 /nfs/dbraw/zinc/15/87/33/557158733.db2.gz NGCIIDVPNSGTRA-UHFFFAOYSA-N 1 1 434.515 3.262 50 0 IGAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc(-c4c(C)cc(C)cc4C)on3)C2)CC1 ZINC000096210829 557183258 /nfs/dbraw/zinc/18/32/58/557183258.db2.gz FTBJKXXULJCJJW-FQEVSTJZSA-N 1 1 438.572 3.283 50 0 IGAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(-c4c(C)cc(C)cc4C)on3)C2)CC1 ZINC000096210828 557183293 /nfs/dbraw/zinc/18/32/93/557183293.db2.gz FTBJKXXULJCJJW-HXUWFJFHSA-N 1 1 438.572 3.283 50 0 IGAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000025228026 557200465 /nfs/dbraw/zinc/20/04/65/557200465.db2.gz FVQOJZMQWHKUOU-WOJBJXKFSA-N 1 1 427.497 3.246 50 0 IGAAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000025228026 557200469 /nfs/dbraw/zinc/20/04/69/557200469.db2.gz FVQOJZMQWHKUOU-WOJBJXKFSA-N 1 1 427.497 3.246 50 0 IGAAMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000025827927 557227797 /nfs/dbraw/zinc/22/77/97/557227797.db2.gz DCLGBEHNJFWSTI-QFIPXVFZSA-N 1 1 449.551 3.016 50 0 IGAAMO COc1ccccc1[C@@H](CNC(=O)Cc1csc(NC(=O)c2ccccc2)n1)[NH+](C)C ZINC000027569530 557265805 /nfs/dbraw/zinc/26/58/05/557265805.db2.gz VXPIBQOPCHKXKP-LJQANCHMSA-N 1 1 438.553 3.366 50 0 IGAAMO O=c1occ(C[NH+]2CCN(c3ccccc3)CC2)c([O-])c1C[N@H+]1CCc2ccccc2C1 ZINC000101372697 557278859 /nfs/dbraw/zinc/27/88/59/557278859.db2.gz TXZLAZSJWJRVOW-UHFFFAOYSA-N 1 1 431.536 3.226 50 0 IGAAMO COCCN(C[C@H]1C[N@@H+](Cc2cc(C)c(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000105050424 557473989 /nfs/dbraw/zinc/47/39/89/557473989.db2.gz RTXOTWVFTCYHRU-NFBKMPQASA-N 1 1 432.536 3.373 50 0 IGAAMO COc1ccccc1-c1cc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000109027673 557545294 /nfs/dbraw/zinc/54/52/94/557545294.db2.gz YHQRIDQFGJERDJ-JOCHJYFZSA-N 1 1 434.540 3.459 50 0 IGAAMO COc1ccccc1-c1cc(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)no1 ZINC000109027673 557545298 /nfs/dbraw/zinc/54/52/98/557545298.db2.gz YHQRIDQFGJERDJ-JOCHJYFZSA-N 1 1 434.540 3.459 50 0 IGAAMO COc1ccccc1-c1cc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)no1 ZINC000109027673 557545302 /nfs/dbraw/zinc/54/53/02/557545302.db2.gz YHQRIDQFGJERDJ-JOCHJYFZSA-N 1 1 434.540 3.459 50 0 IGAAMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000225758898 557773716 /nfs/dbraw/zinc/77/37/16/557773716.db2.gz MEPXIYVHUFAFNY-QFIPXVFZSA-N 1 1 441.597 3.158 50 0 IGAAMO C[NH+]1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000008828449 562964470 /nfs/dbraw/zinc/96/44/70/562964470.db2.gz VJKSRJBBNMRYIG-UHFFFAOYSA-N 1 1 449.576 3.470 50 0 IGAAMO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000009268626 562968693 /nfs/dbraw/zinc/96/86/93/562968693.db2.gz MOKFZOSUGUWJFW-UHFFFAOYSA-N 1 1 429.542 3.459 50 0 IGAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 ZINC000020355108 563024505 /nfs/dbraw/zinc/02/45/05/563024505.db2.gz CJTDJZMSVHRDDF-UHFFFAOYSA-N 1 1 429.561 3.390 50 0 IGAAMO Cc1cc(C)n2nc(C(=O)N3CCC[C@H]([NH+]4CCN(c5ccccc5C)CC4)C3)cc2n1 ZINC000055383255 563142541 /nfs/dbraw/zinc/14/25/41/563142541.db2.gz UVFOFVOMZGDMQT-NRFANRHFSA-N 1 1 432.572 3.081 50 0 IGAAMO C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000106135554 568624977 /nfs/dbraw/zinc/62/49/77/568624977.db2.gz QEGALPRRMDKWHL-FGTMMUONSA-N 1 1 438.638 3.054 50 0 IGAAMO COc1cc(CNC2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)N1CCCC1 ZINC000025259360 568649570 /nfs/dbraw/zinc/64/95/70/568649570.db2.gz DRHMBUFVTQDGKM-UHFFFAOYSA-N 1 1 437.584 3.451 50 0 IGAAMO COc1cc2cc(C[NH2+]CCc3n[nH]c(C)n3)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000299802370 568758199 /nfs/dbraw/zinc/75/81/99/568758199.db2.gz LEFUJDLPONNCJX-UHFFFAOYSA-N 1 1 439.560 3.358 50 0 IGAAMO COc1cc2cc(C[NH2+]CCc3nnc(C)[nH]3)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000299802370 568758200 /nfs/dbraw/zinc/75/82/00/568758200.db2.gz LEFUJDLPONNCJX-UHFFFAOYSA-N 1 1 439.560 3.358 50 0 IGAAMO COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)cc2)cc1 ZINC000084544251 568798642 /nfs/dbraw/zinc/79/86/42/568798642.db2.gz UQYDFMSWJRUWNU-GOSISDBHSA-N 1 1 445.585 3.204 50 0 IGAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCc4ccccc4)CC3)n2)cc1OC ZINC000015726462 568812556 /nfs/dbraw/zinc/81/25/56/568812556.db2.gz HGEYRAZUQQXZCS-UHFFFAOYSA-N 1 1 436.512 3.282 50 0 IGAAMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2C1 ZINC000015880195 568854107 /nfs/dbraw/zinc/85/41/07/568854107.db2.gz XJCGIKIIXOXEGS-UHFFFAOYSA-N 1 1 448.614 3.337 50 0 IGAAMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2C1 ZINC000015880195 568854109 /nfs/dbraw/zinc/85/41/09/568854109.db2.gz XJCGIKIIXOXEGS-UHFFFAOYSA-N 1 1 448.614 3.337 50 0 IGAAMO O=C(NC1CCCCC1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000015968663 568861299 /nfs/dbraw/zinc/86/12/99/568861299.db2.gz UTDQRZHQUMUEND-JWQCQUIFSA-N 1 1 444.579 3.359 50 0 IGAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015999221 568862314 /nfs/dbraw/zinc/86/23/14/568862314.db2.gz SPGLMFFCGIPHHR-CMCWBKRRSA-N 1 1 435.911 3.186 50 0 IGAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@@]23c2cccc(C)c2NC3=O)cc1 ZINC000064164316 568893464 /nfs/dbraw/zinc/89/34/64/568893464.db2.gz QMRDWBOJBXXNFN-AOUJKTHWSA-N 1 1 433.508 3.442 50 0 IGAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245242240 568913305 /nfs/dbraw/zinc/91/33/05/568913305.db2.gz PGRHCBYLMMDTGD-FYBXHKAZSA-N 1 1 429.520 3.297 50 0 IGAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000248343101 568919318 /nfs/dbraw/zinc/91/93/18/568919318.db2.gz ZNIAEOAOTYSHDY-XMODTWTHSA-N 1 1 435.911 3.388 50 0 IGAAMO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCC(C)C)c1OC ZINC000036103736 568952962 /nfs/dbraw/zinc/95/29/62/568952962.db2.gz MRIYLAIYJVQCFG-FQEVSTJZSA-N 1 1 431.529 3.468 50 0 IGAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCC(C)C)c1OC ZINC000036103736 568952964 /nfs/dbraw/zinc/95/29/64/568952964.db2.gz MRIYLAIYJVQCFG-FQEVSTJZSA-N 1 1 431.529 3.468 50 0 IGAAMO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COCc1ccco1 ZINC000036159962 568967292 /nfs/dbraw/zinc/96/72/92/568967292.db2.gz QKFJSUQFASLPMH-MRXNPFEDSA-N 1 1 445.585 3.492 50 0 IGAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COCc1ccco1 ZINC000036159962 568967293 /nfs/dbraw/zinc/96/72/93/568967293.db2.gz QKFJSUQFASLPMH-MRXNPFEDSA-N 1 1 445.585 3.492 50 0 IGAAMO COc1cccc(C(=O)N2CC[NH+]([C@@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)c1 ZINC000036250285 568983762 /nfs/dbraw/zinc/98/37/62/568983762.db2.gz QOEVEQLVEJTCNG-WMZHIEFXSA-N 1 1 427.589 3.413 50 0 IGAAMO CC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000169680292 568990796 /nfs/dbraw/zinc/99/07/96/568990796.db2.gz JPBSWCCJEULJAV-MHECFPHRSA-N 1 1 425.598 3.473 50 0 IGAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000169681900 568992797 /nfs/dbraw/zinc/99/27/97/568992797.db2.gz BNIPEAZRNUJVST-QDSKXPNFSA-N 1 1 435.568 3.214 50 0 IGAAMO COC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C1CC1 ZINC000036309126 568995822 /nfs/dbraw/zinc/99/58/22/568995822.db2.gz BWMNXSVSOOBQRK-UGKGYDQZSA-N 1 1 444.597 3.033 50 0 IGAAMO COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](C)O)CC2CC2)c1 ZINC000036309318 568995861 /nfs/dbraw/zinc/99/58/61/568995861.db2.gz IYKFUFJACGNUFC-VGSWGCGISA-N 1 1 444.597 3.354 50 0 IGAAMO 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1 1 426.536 3.265 50 0 IGAAMO Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000071889578 555725763 /nfs/dbraw/zinc/72/57/63/555725763.db2.gz YCBZTKRUIFIAKL-UHFFFAOYSA-N 1 1 429.446 3.426 50 0 IGAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cc(C)c(C)o2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000034740533 555883685 /nfs/dbraw/zinc/88/36/85/555883685.db2.gz RTXOTWVFTCYHRU-REWPJTCUSA-N 1 1 432.536 3.373 50 0 IGAAMO Cc1cccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924148 555932967 /nfs/dbraw/zinc/93/29/67/555932967.db2.gz BMDPJNIGDWVXSS-RPBOFIJWSA-N 1 1 447.579 3.277 50 0 IGAAMO CCc1ccc(CN(C)Cc2cc(OC)ccc2OC[C@@H](O)C[NH+]2CCC(O)CC2)cc1 ZINC000011705658 556347616 /nfs/dbraw/zinc/34/76/16/556347616.db2.gz HTBNOURCSUTMEA-DEOSSOPVSA-N 1 1 442.600 3.086 50 0 IGAAMO O=C(NCCCO)c1cn([C@H]2CCC[N@@H+](Cc3cccc(Oc4ccccc4)c3)C2)nn1 ZINC000012050268 556392123 /nfs/dbraw/zinc/39/21/23/556392123.db2.gz JVILOWTZYQCIJM-FQEVSTJZSA-N 1 1 435.528 3.020 50 0 IGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC ZINC000012054807 556393889 /nfs/dbraw/zinc/39/38/89/556393889.db2.gz GHQNIXCSBHSDCU-HXUWFJFHSA-N 1 1 432.586 3.340 50 0 IGAAMO Cc1cc(N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1[NH+]1CCCC1 ZINC000032853734 556432212 /nfs/dbraw/zinc/43/22/12/556432212.db2.gz PBJZHVOAZVROOH-KRWDZBQOSA-N 1 1 430.574 3.285 50 0 IGAAMO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)N(C)C)C2)cc1OC ZINC000014731912 556436821 /nfs/dbraw/zinc/43/68/21/556436821.db2.gz PZQCCMWSCSIWAP-MSOLQXFVSA-N 1 1 443.519 3.008 50 0 IGAAMO O=C1C[N@H+](C2Cc3ccccc3C2)C[C@H](OCc2cccnc2)CN1Cc1ccccc1 ZINC000014733347 556437529 /nfs/dbraw/zinc/43/75/29/556437529.db2.gz ZOFRSFXWIHTNSD-SANMLTNESA-N 1 1 427.548 3.479 50 0 IGAAMO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)cc1 ZINC000013102157 556461105 /nfs/dbraw/zinc/46/11/05/556461105.db2.gz NVUMBAKKIRCLCS-NRFANRHFSA-N 1 1 441.553 3.446 50 0 IGAAMO COc1ccc(CN(C)Cc2ccon2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014981347 556470855 /nfs/dbraw/zinc/47/08/55/556470855.db2.gz ACZAKFCSSSVARA-JOCHJYFZSA-N 1 1 425.529 3.187 50 0 IGAAMO CCC[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4cccc(OC)c4)n3)c2C2CC2)CC1 ZINC000014992380 556475858 /nfs/dbraw/zinc/47/58/58/556475858.db2.gz DPJHWZYJOFYTQH-UHFFFAOYSA-N 1 1 446.555 3.383 50 0 IGAAMO Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)nc(C)n1 ZINC000015063768 556491453 /nfs/dbraw/zinc/49/14/53/556491453.db2.gz KUZZYIZIUSDQGX-HSZRJFAPSA-N 1 1 449.599 3.070 50 0 IGAAMO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1Cl ZINC000033326783 556561746 /nfs/dbraw/zinc/56/17/46/556561746.db2.gz SXYMESOFALGFPT-UHFFFAOYSA-N 1 1 430.940 3.401 50 0 IGAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015996849 556572083 /nfs/dbraw/zinc/57/20/83/556572083.db2.gz UXADPAGYIDYXOP-MSZDEVHKSA-N 1 1 429.520 3.149 50 0 IGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000016001451 556572654 /nfs/dbraw/zinc/57/26/54/556572654.db2.gz UFBGEQXFROUTKF-YDLHNXBPSA-N 1 1 435.911 3.388 50 0 IGAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000016001451 556572657 /nfs/dbraw/zinc/57/26/57/556572657.db2.gz UFBGEQXFROUTKF-YDLHNXBPSA-N 1 1 435.911 3.388 50 0 IGAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009765 556573689 /nfs/dbraw/zinc/57/36/89/556573689.db2.gz KCMMFVVBYHOAIY-UAKAABGRSA-N 1 1 435.911 3.334 50 0 IGAAMO CC[N@H+]1CCC[C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)C1 ZINC000032962588 556582640 /nfs/dbraw/zinc/58/26/40/556582640.db2.gz SKYVQRGSKJSHFV-HXUWFJFHSA-N 1 1 428.554 3.469 50 0 IGAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC ZINC000036307473 556596574 /nfs/dbraw/zinc/59/65/74/556596574.db2.gz AVNJYWJRZLTSFF-FQEVSTJZSA-N 1 1 443.519 3.474 50 0 IGAAMO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000072312059 556597294 /nfs/dbraw/zinc/59/72/94/556597294.db2.gz XMVCXQDFORKIOO-MRXNPFEDSA-N 1 1 441.333 3.276 50 0 IGAAMO Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCC[N@@H+]3CCCC[C@@H]3C)s2)cc1 ZINC000032987101 556606926 /nfs/dbraw/zinc/60/69/26/556606926.db2.gz IXEZWANZNZAMIN-INIZCTEOSA-N 1 1 447.630 3.323 50 0 IGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccccc2OC)n[nH]1 ZINC000409413057 556640319 /nfs/dbraw/zinc/64/03/19/556640319.db2.gz ARKMUCMONBPIJB-AVRDEDQJSA-N 1 1 426.561 3.438 50 0 IGAAMO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccccc2OC)[nH]n1 ZINC000409413057 556640322 /nfs/dbraw/zinc/64/03/22/556640322.db2.gz ARKMUCMONBPIJB-AVRDEDQJSA-N 1 1 426.561 3.438 50 0 IGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(-c2ccccc2OC)[nH]n1 ZINC000409413057 556640325 /nfs/dbraw/zinc/64/03/25/556640325.db2.gz ARKMUCMONBPIJB-AVRDEDQJSA-N 1 1 426.561 3.438 50 0 IGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000409413462 556640788 /nfs/dbraw/zinc/64/07/88/556640788.db2.gz IDLBWXARRNAEEO-UGKGYDQZSA-N 1 1 440.588 3.398 50 0 IGAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000061931337 556762605 /nfs/dbraw/zinc/76/26/05/556762605.db2.gz UVNBHTBTYNDYFU-RQXXJAGISA-N 1 1 441.409 3.137 50 0 IGAAMO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000058159205 556763707 /nfs/dbraw/zinc/76/37/07/556763707.db2.gz DDDJZCWWRQSGMF-CRAIPNDOSA-N 1 1 434.537 3.111 50 0 IGAAMO COc1ccc(NC(=O)NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000058159205 556763713 /nfs/dbraw/zinc/76/37/13/556763713.db2.gz DDDJZCWWRQSGMF-CRAIPNDOSA-N 1 1 434.537 3.111 50 0 IGAAMO Cc1cccn2c(C[N@@H+](C)CCc3cnn(C)c3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000019535172 556793874 /nfs/dbraw/zinc/79/38/74/556793874.db2.gz KXHKNLUJXTXTLU-UHFFFAOYSA-N 1 1 444.583 3.365 50 0 IGAAMO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000005603875 556829351 /nfs/dbraw/zinc/82/93/51/556829351.db2.gz FDRRUILWZRYRAP-UHFFFAOYSA-N 1 1 427.545 3.391 50 0 IGAAMO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000005603875 556829355 /nfs/dbraw/zinc/82/93/55/556829355.db2.gz FDRRUILWZRYRAP-UHFFFAOYSA-N 1 1 427.545 3.391 50 0 IGAAMO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](C3CCN(Cc4ccccn4)CC3)C2)CC1 ZINC000019789582 556914555 /nfs/dbraw/zinc/91/45/55/556914555.db2.gz VXXOSVXNNHSAGF-DEOSSOPVSA-N 1 1 437.607 3.472 50 0 IGAAMO O=C(c1nc2sccn2c1C[N@H+]1CCCC[C@@H]1CCN1CCOCC1)N1CCCCC1 ZINC000019837675 556928283 /nfs/dbraw/zinc/92/82/83/556928283.db2.gz QYKCZGPVNAMWDZ-LJQANCHMSA-N 1 1 445.633 3.099 50 0 IGAAMO O=C(c1nc2sccn2c1CN1CCCC[C@@H]1CC[NH+]1CCOCC1)N1CCCCC1 ZINC000019837675 556928291 /nfs/dbraw/zinc/92/82/91/556928291.db2.gz QYKCZGPVNAMWDZ-LJQANCHMSA-N 1 1 445.633 3.099 50 0 IGAAMO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3c(C)nc4sccn34)C2)CC1 ZINC000019884349 556938264 /nfs/dbraw/zinc/93/82/64/556938264.db2.gz SAYCNTJYNINOMG-IBGZPJMESA-N 1 1 425.602 3.499 50 0 IGAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3c(C)nc4sccn34)C2)CC1 ZINC000019884349 556938268 /nfs/dbraw/zinc/93/82/68/556938268.db2.gz SAYCNTJYNINOMG-IBGZPJMESA-N 1 1 425.602 3.499 50 0 IGAAMO O=C(Cc1ccsc1)N1CCC2(C[C@@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000020255405 557003705 /nfs/dbraw/zinc/00/37/05/557003705.db2.gz IVCBZQHMFWVPSA-JOCHJYFZSA-N 1 1 437.609 3.264 50 0 IGAAMO COc1ccc(OCC[NH+]2CCN(CC(=O)N3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000022945866 557054487 /nfs/dbraw/zinc/05/44/87/557054487.db2.gz NCHXOBHLEFXEGY-OAQYLSRUSA-N 1 1 429.586 3.117 50 0 IGAAMO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Cn2cccnc2=O)c1)c1ccccc1Cl ZINC000048331766 557069481 /nfs/dbraw/zinc/06/94/81/557069481.db2.gz XIILEGLGUGRWCM-HXUWFJFHSA-N 1 1 425.920 3.369 50 0 IGAAMO Cc1nc2c(c(=O)n1CC(=O)N[C@@H](C)CCc1ccccc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000049400803 557096386 /nfs/dbraw/zinc/09/63/86/557096386.db2.gz WLUAERNNQMKRGE-FQEVSTJZSA-N 1 1 444.579 3.248 50 0 IGAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)[nH+]1 ZINC000033318494 557099997 /nfs/dbraw/zinc/09/99/97/557099997.db2.gz AMBQIOPCQUIPAU-UHFFFAOYSA-N 1 1 425.514 3.166 50 0 IGAAMO C[C@@]1(CCc2ccccc2)NC(=O)N(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)C1=O ZINC000023761258 557114608 /nfs/dbraw/zinc/11/46/08/557114608.db2.gz YFQUETICLHHJEY-VWLOTQADSA-N 1 1 434.540 3.238 50 0 IGAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000049686625 557117647 /nfs/dbraw/zinc/11/76/47/557117647.db2.gz IVNFQVHFWRUKIF-RQXXJAGISA-N 1 1 442.302 3.425 50 0 IGAAMO COc1ccnc(N2CCC(C(=O)Nc3nc(C[NH+]4C[C@@H](C)C[C@H](C)C4)cs3)CC2)n1 ZINC000024747785 557161701 /nfs/dbraw/zinc/16/17/01/557161701.db2.gz JMIZLKQBQFHKQE-HOTGVXAUSA-N 1 1 444.605 3.275 50 0 IGAAMO CN1N=C(C(=O)N2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)s3)CC2)CCC1=O ZINC000024773770 557166172 /nfs/dbraw/zinc/16/61/72/557166172.db2.gz CGEJZIVVZGNWQI-UHFFFAOYSA-N 1 1 430.961 3.321 50 0 IGAAMO COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CC[NH+](Cc2nccs2)CC3)cc1 ZINC000014746243 557189541 /nfs/dbraw/zinc/18/95/41/557189541.db2.gz YXGPXQLGXNEYRS-UHFFFAOYSA-N 1 1 442.585 3.402 50 0 IGAAMO CCC[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000072254786 557232218 /nfs/dbraw/zinc/23/22/18/557232218.db2.gz AOPPSDHWRAUOGV-LJQANCHMSA-N 1 1 436.622 3.447 50 0 IGAAMO CCC[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000072254786 557232226 /nfs/dbraw/zinc/23/22/26/557232226.db2.gz AOPPSDHWRAUOGV-LJQANCHMSA-N 1 1 436.622 3.447 50 0 IGAAMO O=C(C[NH+]1CCC(O)CC1)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000026372229 557240093 /nfs/dbraw/zinc/24/00/93/557240093.db2.gz FLGAGRAXKHVZCJ-FQEVSTJZSA-N 1 1 432.446 3.244 50 0 IGAAMO CC[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(OC)c(OC)c1 ZINC000026913810 557251347 /nfs/dbraw/zinc/25/13/47/557251347.db2.gz PRMWZJTUJKSTTB-UHFFFAOYSA-N 1 1 429.536 3.404 50 0 IGAAMO COc1ccc([C@@H](CNC(=O)c2sc3ncn(C)c(=O)c3c2C)[NH+]2CCCCC2)cc1 ZINC000027668510 557270964 /nfs/dbraw/zinc/27/09/64/557270964.db2.gz MCIORJUYXOMDLI-GOSISDBHSA-N 1 1 440.569 3.269 50 0 IGAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000101343062 557279202 /nfs/dbraw/zinc/27/92/02/557279202.db2.gz SPGLMFFCGIPHHR-FDGPYGQJSA-N 1 1 435.911 3.186 50 0 IGAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247828696 557280835 /nfs/dbraw/zinc/28/08/35/557280835.db2.gz KIMGMHWFRLGICQ-OFNKIYASSA-N 1 1 432.511 3.302 50 0 IGAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000101410620 557284015 /nfs/dbraw/zinc/28/40/15/557284015.db2.gz LCYCYKCRGGTNNL-FDGPYGQJSA-N 1 1 435.911 3.186 50 0 IGAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](C)O ZINC000105002836 557470328 /nfs/dbraw/zinc/47/03/28/557470328.db2.gz YTPLKSFBDOCQGF-UGKGYDQZSA-N 1 1 446.613 3.281 50 0 IGAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000105018738 557473079 /nfs/dbraw/zinc/47/30/79/557473079.db2.gz GPHXXHAXWKQFBV-LADGPHEKSA-N 1 1 428.548 3.471 50 0 IGAAMO Cc1ccc(C[NH+]2CCN(C(=O)CCC(=O)Nc3nnc(C(C)C)s3)CC2)c(C)c1 ZINC000001257153 562921081 /nfs/dbraw/zinc/92/10/81/562921081.db2.gz GGWRQYZWMHIKBS-UHFFFAOYSA-N 1 1 429.590 3.341 50 0 IGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3OCCO)C2)cc1OC ZINC000023374878 568613578 /nfs/dbraw/zinc/61/35/78/568613578.db2.gz CWELYUUSTIQUIL-JOCHJYFZSA-N 1 1 428.573 3.214 50 0 IGAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cc(C)ccc3C)C2)CC1 ZINC000023374999 568613996 /nfs/dbraw/zinc/61/39/96/568613996.db2.gz RXEVPPXMXYWWJH-NRFANRHFSA-N 1 1 425.577 3.432 50 0 IGAAMO CCC[NH+]1CCN(C(=O)c2cc3nc(-c4ccccc4OC)n(C)c3c(NC(C)=O)c2)CC1 ZINC000299756317 568755234 /nfs/dbraw/zinc/75/52/34/568755234.db2.gz LOUNSCXTCYIQFT-UHFFFAOYSA-N 1 1 449.555 3.375 50 0 IGAAMO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2CC2(N3CCOCC3)CCCCC2)c1 ZINC000299781207 568757205 /nfs/dbraw/zinc/75/72/05/568757205.db2.gz LBGJOOFKMPNQPT-JOCHJYFZSA-N 1 1 429.605 3.201 50 0 IGAAMO Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000015729682 568813602 /nfs/dbraw/zinc/81/36/02/568813602.db2.gz ZSUHRKBMAYXJHD-UHFFFAOYSA-N 1 1 428.496 3.019 50 0 IGAAMO Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000015729682 568813604 /nfs/dbraw/zinc/81/36/04/568813604.db2.gz ZSUHRKBMAYXJHD-UHFFFAOYSA-N 1 1 428.496 3.019 50 0 IGAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000583652764 568837751 /nfs/dbraw/zinc/83/77/51/568837751.db2.gz YTSZHHLZYOSNQG-VXNXHJTFSA-N 1 1 441.616 3.165 50 0 IGAAMO O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000226932200 568885601 /nfs/dbraw/zinc/88/56/01/568885601.db2.gz XNQZASOJZYJLNJ-KCXPTXFHSA-N 1 1 441.409 3.137 50 0 IGAAMO O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229899548 568887064 /nfs/dbraw/zinc/88/70/64/568887064.db2.gz 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Cc1nc(C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1-c1ccccc1C(C)C ZINC000170601444 569142960 /nfs/dbraw/zinc/14/29/60/569142960.db2.gz SPJMWKZMHKXNQA-AREMUKBSSA-N 1 1 447.583 3.408 50 0 IGAAMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C ZINC000170614585 569146389 /nfs/dbraw/zinc/14/63/89/569146389.db2.gz WBILIOWBAJPEDW-UHFFFAOYSA-N 1 1 434.422 3.075 50 0 IGAAMO CC[NH+]1CCN(C(=O)c2nc(-c3ccc(OC)cc3)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000014609861 569159458 /nfs/dbraw/zinc/15/94/58/569159458.db2.gz HVXFTPSRVDPWPV-UHFFFAOYSA-N 1 1 425.920 3.374 50 0 IGAAMO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000089984781 569170014 /nfs/dbraw/zinc/17/00/14/569170014.db2.gz WIRRNMYMADBDMQ-CVEARBPZSA-N 1 1 426.604 3.467 50 0 IGAAMO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000089984781 569170015 /nfs/dbraw/zinc/17/00/15/569170015.db2.gz WIRRNMYMADBDMQ-CVEARBPZSA-N 1 1 426.604 3.467 50 0 IGAAMO COC[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000170656149 569192479 /nfs/dbraw/zinc/19/24/79/569192479.db2.gz CBLQYQXEVLGGOG-ZDUSSCGKSA-N 1 1 429.361 3.103 50 0 IGAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)C[C@@H](C)O1 ZINC000253418290 569266577 /nfs/dbraw/zinc/26/65/77/569266577.db2.gz NSBUMOZRVJKOTQ-HUUCEWRRSA-N 1 1 433.911 3.343 50 0 IGAAMO CCC[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000078876568 569319745 /nfs/dbraw/zinc/31/97/45/569319745.db2.gz PPXYOHXTTKWUHJ-YADHBBJMSA-N 1 1 445.604 3.007 50 0 IGAAMO CCC[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000078876571 569319756 /nfs/dbraw/zinc/31/97/56/569319756.db2.gz PPXYOHXTTKWUHJ-VXKWHMMOSA-N 1 1 445.604 3.007 50 0 IGAAMO CC(C)(C)OC(=O)NC(C)(C)C(C)(C)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000078992365 569321561 /nfs/dbraw/zinc/32/15/61/569321561.db2.gz DQFTZRYJRRUBJB-UHFFFAOYSA-N 1 1 425.614 3.467 50 0 IGAAMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1)NCCCN1CCCCCC1=O ZINC000079051974 569323389 /nfs/dbraw/zinc/32/33/89/569323389.db2.gz JYNYVMSFWXVRPG-PKTZIBPZSA-N 1 1 429.605 3.264 50 0 IGAAMO CC(C)[NH+]1CCN(C(=O)c2csc(N3CCN(c4cccc(Cl)c4)CC3)n2)CC1 ZINC000096386361 569398517 /nfs/dbraw/zinc/39/85/17/569398517.db2.gz FIIZHDJPEFTIQL-UHFFFAOYSA-N 1 1 434.009 3.289 50 0 IGAAMO O=C(COc1ccc(Cl)cc1Cl)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056997277 569428825 /nfs/dbraw/zinc/42/88/25/569428825.db2.gz WEKSMKMGJFRRHP-UHFFFAOYSA-N 1 1 426.319 3.450 50 0 IGAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccnc1SCC(F)(F)F ZINC000030015505 569440353 /nfs/dbraw/zinc/44/03/53/569440353.db2.gz CTJOMCXHPAINIO-UHFFFAOYSA-N 1 1 425.476 3.498 50 0 IGAAMO CCOc1ccc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)cc1Cl ZINC000670462200 569461145 /nfs/dbraw/zinc/46/11/45/569461145.db2.gz UAUMZPSFAQCGDG-IGSLEHJCSA-N 1 1 425.960 3.036 50 0 IGAAMO COC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067285585 569466914 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