smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)OC ZINC001305806011 1069333778 /nfs/dbraw/zinc/33/37/78/1069333778.db2.gz NGKODZRGGKEMMB-HXUWFJFHSA-N 1 2 498.031 3.310 20 0 JGADLO CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC001305839581 1069385919 /nfs/dbraw/zinc/38/59/19/1069385919.db2.gz VIHNYHPUTGTUSF-PZJWPPBQSA-N 1 2 459.660 3.295 20 0 JGADLO CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001305849804 1069401666 /nfs/dbraw/zinc/40/16/66/1069401666.db2.gz UVLQMAFZYWDEFO-XZOQPEGZSA-N 1 2 498.672 3.032 20 0 JGADLO CC(C)(C)OC(=O)N1Cc2sc(C(=O)N[C@H]3Cc4c[nH+]cn4C3)c(Br)c2C1 ZINC001298232554 1064140386 /nfs/dbraw/zinc/14/03/86/1064140386.db2.gz KFJSTGNELCANJR-JTQLQIEISA-N 1 2 453.362 3.313 20 0 JGADLO CN(CC(F)(F)F)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001298240164 1064144520 /nfs/dbraw/zinc/14/45/20/1064144520.db2.gz LBOHYBQWDNFSOS-UHFFFAOYSA-N 1 2 474.422 3.297 20 0 JGADLO CN(CC(F)(F)F)c1nnc([C@@H]2CCCCO2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001298247483 1064149626 /nfs/dbraw/zinc/14/96/26/1064149626.db2.gz AXBNLMNTIPVGPG-FQEVSTJZSA-N 1 2 466.552 3.336 20 0 JGADLO CN(Cc1cc(Cl)ccn1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001298262930 1064158341 /nfs/dbraw/zinc/15/83/41/1064158341.db2.gz XJKUEMLCSZGEEC-MOPGFXCFSA-N 1 2 489.958 3.495 20 0 JGADLO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@H]2CCCOC2)n1CCCNc1cccc[nH+]1 ZINC001298316599 1064191530 /nfs/dbraw/zinc/19/15/30/1064191530.db2.gz GFIWFXQKQOFPHI-FQEVSTJZSA-N 1 2 484.626 3.109 20 0 JGADLO CN(CCc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001298616929 1064387912 /nfs/dbraw/zinc/38/79/12/1064387912.db2.gz AAHGWPAFYCZTBF-CTNGQTDRSA-N 1 2 491.658 3.363 20 0 JGADLO CN(CCc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001298616930 1064388027 /nfs/dbraw/zinc/38/80/27/1064388027.db2.gz AAHGWPAFYCZTBF-FPOVZHCZSA-N 1 2 491.658 3.363 20 0 JGADLO CN(CCc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001298624849 1064397731 /nfs/dbraw/zinc/39/77/31/1064397731.db2.gz ZHIPXFOCCSUJKM-NQIIRXRSSA-N 1 2 491.658 3.363 20 0 JGADLO CN(CCc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001298624851 1064397755 /nfs/dbraw/zinc/39/77/55/1064397755.db2.gz ZHIPXFOCCSUJKM-WIYYLYMNSA-N 1 2 491.658 3.363 20 0 JGADLO CN(CCCS(C)(=O)=O)c1nnc(-c2ccccn2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001298692563 1064492618 /nfs/dbraw/zinc/49/26/18/1064492618.db2.gz UQGOYRLPFOMPOK-HXUWFJFHSA-N 1 2 472.615 3.031 20 0 JGADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)cc1 ZINC001298695541 1064494641 /nfs/dbraw/zinc/49/46/41/1064494641.db2.gz GEOMJPUDCKUMQH-JTHBVZDNSA-N 1 2 450.501 3.265 20 0 JGADLO C[N@H+](CCn1c(C2CCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)Cc1ccc(F)cc1 ZINC001298707549 1064513471 /nfs/dbraw/zinc/51/34/71/1064513471.db2.gz BDXNEKAVADJGJV-NRFANRHFSA-N 1 2 463.623 3.220 20 0 JGADLO C[N@@H+](CCn1c(C2CCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)Cc1ccc(F)cc1 ZINC001298707549 1064513486 /nfs/dbraw/zinc/51/34/86/1064513486.db2.gz BDXNEKAVADJGJV-NRFANRHFSA-N 1 2 463.623 3.220 20 0 JGADLO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(Cl)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298727947 1064538991 /nfs/dbraw/zinc/53/89/91/1064538991.db2.gz LBESRLAFPLCZID-UHFFFAOYSA-N 1 2 491.080 3.256 20 0 JGADLO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(Cl)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298727947 1064539006 /nfs/dbraw/zinc/53/90/06/1064539006.db2.gz LBESRLAFPLCZID-UHFFFAOYSA-N 1 2 491.080 3.256 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001298736182 1064550776 /nfs/dbraw/zinc/55/07/76/1064550776.db2.gz CMBONVCXOJBRMH-ROUUACIJSA-N 1 2 452.525 3.477 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1Cc1cccc(C(C)(F)F)c1 ZINC001298737813 1064552033 /nfs/dbraw/zinc/55/20/33/1064552033.db2.gz CUQKEYBMNOGNCN-UHFFFAOYSA-N 1 2 456.541 3.192 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCCSC1 ZINC001298738969 1064554481 /nfs/dbraw/zinc/55/44/81/1064554481.db2.gz UINBGICNBWCAGW-IBGZPJMESA-N 1 2 450.052 3.434 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccsc2)n1CCOc1cccc(Cl)c1 ZINC001298739052 1064554498 /nfs/dbraw/zinc/55/44/98/1064554498.db2.gz XAVQEZOASNOIGH-UHFFFAOYSA-N 1 2 462.019 3.431 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CCc2ccccc2)n1Cc1nc(C(F)(F)F)cs1 ZINC001298740334 1064555099 /nfs/dbraw/zinc/55/50/99/1064555099.db2.gz FBIQEXMUULGOHC-UHFFFAOYSA-N 1 2 480.560 3.355 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@](C)(O)C1CC1 ZINC001298740449 1064555246 /nfs/dbraw/zinc/55/52/46/1064555246.db2.gz JNXWPXMXJSOPLI-JOCHJYFZSA-N 1 2 466.051 3.153 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001298740944 1064556357 /nfs/dbraw/zinc/55/63/57/1064556357.db2.gz YAGLEDPVGBTGMY-DRLORSAXSA-N 1 2 489.636 3.012 20 0 JGADLO CN(CCS(C)(=O)=O)c1nnc(-c2cccc(Br)c2)n1CCCNc1cccc[nH+]1 ZINC001298775536 1064581049 /nfs/dbraw/zinc/58/10/49/1064581049.db2.gz LGODDOOMRGLRMG-UHFFFAOYSA-N 1 2 493.431 3.086 20 0 JGADLO CN(C[C@H]1CCCO1)c1nnc(COc2ccc(Cl)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298790942 1064591937 /nfs/dbraw/zinc/59/19/37/1064591937.db2.gz SHXJQEMMHMNMHN-OAQYLSRUSA-N 1 2 477.053 3.152 20 0 JGADLO CN(C[C@H]1CCCO1)c1nnc(COc2ccc(Cl)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298790942 1064591953 /nfs/dbraw/zinc/59/19/53/1064591953.db2.gz SHXJQEMMHMNMHN-OAQYLSRUSA-N 1 2 477.053 3.152 20 0 JGADLO O=C(c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)N1CCn2c[nH+]cc2C1 ZINC001298842200 1064644525 /nfs/dbraw/zinc/64/45/25/1064644525.db2.gz SKKYLGKMUDWUIJ-UHFFFAOYSA-N 1 2 450.442 3.359 20 0 JGADLO C[C@@H]1[C@@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001298887089 1064696453 /nfs/dbraw/zinc/69/64/53/1064696453.db2.gz KWEREXGAELRQPD-KDOFPFPSSA-N 1 2 451.386 3.245 20 0 JGADLO C[C@@H]1[C@@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001298887089 1064696460 /nfs/dbraw/zinc/69/64/60/1064696460.db2.gz KWEREXGAELRQPD-KDOFPFPSSA-N 1 2 451.386 3.245 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCc1cccc(C)[nH+]1 ZINC001298954802 1064746622 /nfs/dbraw/zinc/74/66/22/1064746622.db2.gz GFUWIGSETYDSQQ-GOSISDBHSA-N 1 2 472.597 3.490 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001298964415 1064751427 /nfs/dbraw/zinc/75/14/27/1064751427.db2.gz BNFWIIWKTBLHKD-IBGZPJMESA-N 1 2 477.613 3.206 20 0 JGADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001299006181 1064788915 /nfs/dbraw/zinc/78/89/15/1064788915.db2.gz KMVBTEQWNHXFRU-CRICUBBOSA-N 1 2 481.576 3.029 20 0 JGADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNc2cccc[nH+]2)C1 ZINC001299037081 1064825025 /nfs/dbraw/zinc/82/50/25/1064825025.db2.gz ABYGHIWHHDJBHF-RQBNJVACSA-N 1 2 469.634 3.056 20 0 JGADLO CNC(=O)c1ccn([C@H]2CCCN(c3nnc(C(C)(C)C)n3CCCc3cccc(C)[nH+]3)C2)n1 ZINC001299058937 1064849878 /nfs/dbraw/zinc/84/98/78/1064849878.db2.gz AZNPINKNJSJVHD-FQEVSTJZSA-N 1 2 464.618 3.309 20 0 JGADLO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001299128769 1064936440 /nfs/dbraw/zinc/93/64/40/1064936440.db2.gz OXULDTLQHQKMMZ-XMSQKQJNSA-N 1 2 499.015 3.359 20 0 JGADLO COC1(C)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCc2cccc(C)[nH+]2)C1 ZINC001299784705 1064981775 /nfs/dbraw/zinc/98/17/75/1064981775.db2.gz MFZPKNOJVAJRIH-FQEVSTJZSA-N 1 2 486.617 3.148 20 0 JGADLO COc1cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCC[C@@H]2C)cc(OC)c1OC ZINC001299840802 1065035830 /nfs/dbraw/zinc/03/58/30/1065035830.db2.gz BJDYGKHKRHCXAC-OALUTQOASA-N 1 2 473.618 3.176 20 0 JGADLO COc1cc(Cn2c(C(C)C)nnc2N2CC[NH+](Cc3cc(C)no3)CC2)cc(OC)c1OC ZINC001299878678 1065098715 /nfs/dbraw/zinc/09/87/15/1065098715.db2.gz PDTKEMSZDFVXLZ-UHFFFAOYSA-N 1 2 470.574 3.094 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N(C)CCn2cccn2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001299896554 1065129946 /nfs/dbraw/zinc/12/99/46/1065129946.db2.gz YPCURHJJQOSYSF-UHFFFAOYSA-N 1 2 466.977 3.449 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N2CCCN(C(C)=O)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001299908088 1065151236 /nfs/dbraw/zinc/15/12/36/1065151236.db2.gz QFOQLUNIIGJJSG-UHFFFAOYSA-N 1 2 484.004 3.175 20 0 JGADLO COc1cc(OC)cc(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCCc2cccc(C)[nH+]2)c1 ZINC001299958227 1065236930 /nfs/dbraw/zinc/23/69/30/1065236930.db2.gz RFTHCERFFMQTBL-OAQYLSRUSA-N 1 2 450.543 3.351 20 0 JGADLO COc1ccc(Br)c(CN(C)c2nnc(C)n2Cc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001299976053 1065272014 /nfs/dbraw/zinc/27/20/14/1065272014.db2.gz XXJHUHSZHIWSLS-UHFFFAOYSA-N 1 2 487.402 3.274 20 0 JGADLO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2CC2([S@](C)=O)CC2)CC1 ZINC001299990545 1065294737 /nfs/dbraw/zinc/29/47/37/1065294737.db2.gz IXCPVLLZCIMSKL-YTTGMZPUSA-N 1 2 459.660 3.027 20 0 JGADLO COc1ccc(-c2nnc(N(C)[C@@H]3CCSC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001299996612 1065305812 /nfs/dbraw/zinc/30/58/12/1065305812.db2.gz JZYWVBIZXJQTMD-GOSISDBHSA-N 1 2 454.600 3.413 20 0 JGADLO Cc1ccc(F)c(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001492216729 1065327085 /nfs/dbraw/zinc/32/70/85/1065327085.db2.gz HCNLZCHNZWCGSC-GOSISDBHSA-N 1 2 486.617 3.074 20 0 JGADLO Cc1ccc(F)c(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001492216729 1065327093 /nfs/dbraw/zinc/32/70/93/1065327093.db2.gz HCNLZCHNZWCGSC-GOSISDBHSA-N 1 2 486.617 3.074 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccoc3)n2CC(C)(C)[NH+]2CCOCC2)cc1C ZINC001492239123 1065384615 /nfs/dbraw/zinc/38/46/15/1065384615.db2.gz YVSFTQZLLZEEQX-UHFFFAOYSA-N 1 2 466.586 3.487 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCN(c4cccc[nH+]4)CC3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001492386154 1065454760 /nfs/dbraw/zinc/45/47/60/1065454760.db2.gz YEAWOOSJXHEHGW-RUZDIDTESA-N 1 2 450.587 3.294 20 0 JGADLO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001492438331 1065495065 /nfs/dbraw/zinc/49/50/65/1065495065.db2.gz ICYIPMWPYOFJLE-UHFFFAOYSA-N 1 2 499.685 3.099 20 0 JGADLO Cc1nc(CCn2c(CSc3ccc(C)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n[nH]1 ZINC001492449362 1065503047 /nfs/dbraw/zinc/50/30/47/1065503047.db2.gz SJRATHXGDIMHTE-UHFFFAOYSA-N 1 2 484.674 3.095 20 0 JGADLO Cc1nc(CCn2c(CSc3ccc(C)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n[nH]1 ZINC001492449362 1065503061 /nfs/dbraw/zinc/50/30/61/1065503061.db2.gz SJRATHXGDIMHTE-UHFFFAOYSA-N 1 2 484.674 3.095 20 0 JGADLO Cc1n[nH]c(CCn2c(CSc3ccc(C)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001492449362 1065503074 /nfs/dbraw/zinc/50/30/74/1065503074.db2.gz SJRATHXGDIMHTE-UHFFFAOYSA-N 1 2 484.674 3.095 20 0 JGADLO Cc1n[nH]c(CCn2c(CSc3ccc(C)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001492449362 1065503087 /nfs/dbraw/zinc/50/30/87/1065503087.db2.gz SJRATHXGDIMHTE-UHFFFAOYSA-N 1 2 484.674 3.095 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCC(CO)CC3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001492459776 1065507537 /nfs/dbraw/zinc/50/75/37/1065507537.db2.gz IBBNMUCNCOLHAT-UHFFFAOYSA-N 1 2 459.660 3.198 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCC(CO)CC3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001492459776 1065507554 /nfs/dbraw/zinc/50/75/54/1065507554.db2.gz IBBNMUCNCOLHAT-UHFFFAOYSA-N 1 2 459.660 3.198 20 0 JGADLO Cc1ccc(SCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001492466074 1065513686 /nfs/dbraw/zinc/51/36/86/1065513686.db2.gz VXLFQACCIAWQFW-HXUWFJFHSA-N 1 2 477.700 3.234 20 0 JGADLO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@H]1C ZINC001300797026 1065528466 /nfs/dbraw/zinc/52/84/66/1065528466.db2.gz VSBZPIUSQWJIAV-DNVCBOLYSA-N 1 2 488.434 3.417 20 0 JGADLO CO[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1(C)C ZINC001300846087 1065589247 /nfs/dbraw/zinc/58/92/47/1065589247.db2.gz BQOKOFJPRUHOPY-TZIWHRDSSA-N 1 2 459.660 3.461 20 0 JGADLO CO[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1(C)C ZINC001300846087 1065589260 /nfs/dbraw/zinc/58/92/60/1065589260.db2.gz BQOKOFJPRUHOPY-TZIWHRDSSA-N 1 2 459.660 3.461 20 0 JGADLO CO[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@H]1C ZINC001300849940 1065593062 /nfs/dbraw/zinc/59/30/62/1065593062.db2.gz PDCDAFGAGPTTQL-PBASOCQRSA-N 1 2 499.660 3.419 20 0 JGADLO CO[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@H]1C ZINC001300849938 1065593199 /nfs/dbraw/zinc/59/31/99/1065593199.db2.gz PDCDAFGAGPTTQL-AYWYSENESA-N 1 2 499.660 3.419 20 0 JGADLO CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC[NH+]1CCOCC1 ZINC001300855384 1065604062 /nfs/dbraw/zinc/60/40/62/1065604062.db2.gz FIZFKFXFDAIRCB-JXFKEZNVSA-N 1 2 484.428 3.072 20 0 JGADLO COCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001300929649 1065729493 /nfs/dbraw/zinc/72/94/93/1065729493.db2.gz UJFCOKIDQQKAFX-KRWDZBQOSA-N 1 2 475.037 3.060 20 0 JGADLO COC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001301003377 1065832229 /nfs/dbraw/zinc/83/22/29/1065832229.db2.gz MGIUEAHDNLINPM-QGZVFWFLSA-N 1 2 460.941 3.121 20 0 JGADLO COC[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001301013069 1065845593 /nfs/dbraw/zinc/84/55/93/1065845593.db2.gz FPURGOGDOQFOEM-FQEVSTJZSA-N 1 2 495.628 3.164 20 0 JGADLO COC[C@H](F)Cn1c(-c2ccccn2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001301052648 1065901222 /nfs/dbraw/zinc/90/12/22/1065901222.db2.gz GJUDTWYVQRHGJW-SJLPKXTDSA-N 1 2 460.504 3.486 20 0 JGADLO COCC1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001301097663 1065944347 /nfs/dbraw/zinc/94/43/47/1065944347.db2.gz URFMHQPFRYWMNR-SFHVURJKSA-N 1 2 463.573 3.121 20 0 JGADLO COCC1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001301097663 1065944356 /nfs/dbraw/zinc/94/43/56/1065944356.db2.gz URFMHQPFRYWMNR-SFHVURJKSA-N 1 2 463.573 3.121 20 0 JGADLO C=Cc1ccc(CCn2c(-c3cccnc3)nnc2N2CC[NH+](CC(=O)N(CC)CC)CC2)cc1 ZINC001301100889 1065948254 /nfs/dbraw/zinc/94/82/54/1065948254.db2.gz PPXCHQSIKIXZHN-UHFFFAOYSA-N 1 2 473.625 3.216 20 0 JGADLO COCc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001301179225 1066010391 /nfs/dbraw/zinc/01/03/91/1066010391.db2.gz TUEJIAQYYNAIIY-RUZDIDTESA-N 1 2 498.716 3.293 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](COC)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001301286001 1066094247 /nfs/dbraw/zinc/09/42/47/1066094247.db2.gz NFYXAYAWLSMDFD-GPFNJZLUSA-N 1 2 493.599 3.446 20 0 JGADLO COC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001301388503 1066175001 /nfs/dbraw/zinc/17/50/01/1066175001.db2.gz URLGRALWBNBEAC-HXUWFJFHSA-N 1 2 456.978 3.271 20 0 JGADLO COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@H](C)O1 ZINC001301389967 1066175436 /nfs/dbraw/zinc/17/54/36/1066175436.db2.gz YDWGVNOPDCUURL-USNOLKROSA-N 1 2 479.572 3.341 20 0 JGADLO COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H](C)O1 ZINC001301389965 1066175442 /nfs/dbraw/zinc/17/54/42/1066175442.db2.gz YDWGVNOPDCUURL-SEONNTABSA-N 1 2 479.572 3.341 20 0 JGADLO COCCO[C@@H](C)c1nnc(N(C)CC(F)(F)F)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001301964174 1066267257 /nfs/dbraw/zinc/26/72/57/1066267257.db2.gz CGSKBJFCMBBGOK-INIZCTEOSA-N 1 2 456.513 3.434 20 0 JGADLO COCCO[C@H](C)c1nnc(N(C)[C@@H]2CCSC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001301965877 1066270675 /nfs/dbraw/zinc/27/06/75/1066270675.db2.gz PRYJWEMULIMOBU-UYAOXDASSA-N 1 2 460.648 3.377 20 0 JGADLO COCCO[C@H](C)c1nnc(N(C)[C@H]2CCc3ccccc32)n1CC[N@@H+]1CCOCC1(C)C ZINC001301971787 1066278003 /nfs/dbraw/zinc/27/80/03/1066278003.db2.gz WBVYLZAGOLZLMM-KNQAVFIVSA-N 1 2 457.619 3.237 20 0 JGADLO COCCO[C@H](C)c1nnc(N(C)[C@H]2CCc3ccccc32)n1CC[N@H+]1CCOCC1(C)C ZINC001301971787 1066278008 /nfs/dbraw/zinc/27/80/08/1066278008.db2.gz WBVYLZAGOLZLMM-KNQAVFIVSA-N 1 2 457.619 3.237 20 0 JGADLO COCC[C@@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001301462326 1066285196 /nfs/dbraw/zinc/28/51/96/1066285196.db2.gz GPQOKVVQHMMDGF-RUZDIDTESA-N 1 2 497.669 3.091 20 0 JGADLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCCO)CC1 ZINC001301980258 1066287052 /nfs/dbraw/zinc/28/70/52/1066287052.db2.gz BOFGDZLDOOGMOU-IBGZPJMESA-N 1 2 489.064 3.330 20 0 JGADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1CCc1cn2ccccc2[nH+]1 ZINC001301992252 1066314582 /nfs/dbraw/zinc/31/45/82/1066314582.db2.gz ZDWRSFPUVPOMRL-IAGOWNOFSA-N 1 2 470.574 3.232 20 0 JGADLO C[C@H]([C@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1)S(C)(=O)=O ZINC001301994396 1066320192 /nfs/dbraw/zinc/32/01/92/1066320192.db2.gz COKFQPZQKIRURB-ZWKOTPCHSA-N 1 2 462.664 3.168 20 0 JGADLO COCC[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301505558 1066333317 /nfs/dbraw/zinc/33/33/17/1066333317.db2.gz PMJDOGJAOUHBRF-HZPDHXFCSA-N 1 2 484.464 3.353 20 0 JGADLO COCC[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c[nH+]ccc2OC)C1 ZINC001301507607 1066336829 /nfs/dbraw/zinc/33/68/29/1066336829.db2.gz SCFNOODPFMHLEG-QGZVFWFLSA-N 1 2 453.543 3.277 20 0 JGADLO CC(C)(C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001302019861 1066371643 /nfs/dbraw/zinc/37/16/43/1066371643.db2.gz MOUSHZFQTNMEOT-HXUWFJFHSA-N 1 2 489.064 3.310 20 0 JGADLO COCCCCn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001301562606 1066387691 /nfs/dbraw/zinc/38/76/91/1066387691.db2.gz AGHLWDFRHVNPAP-OAQYLSRUSA-N 1 2 468.646 3.249 20 0 JGADLO COCCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001301580253 1066414857 /nfs/dbraw/zinc/41/48/57/1066414857.db2.gz PXWFQTOLSLEHOX-UHFFFAOYSA-N 1 2 471.993 3.362 20 0 JGADLO O=C(c1cc2cc(Br)cc(Br)c2o1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001302060590 1066458749 /nfs/dbraw/zinc/45/87/49/1066458749.db2.gz QWXTWUOUYJUCNK-CYBMUJFWSA-N 1 2 454.122 3.468 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302070600 1066476157 /nfs/dbraw/zinc/47/61/57/1066476157.db2.gz BOQDVAHOSWRUAA-NHCUHLMSSA-N 1 2 472.634 3.441 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCCO[C@@H](C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302070599 1066476192 /nfs/dbraw/zinc/47/61/92/1066476192.db2.gz BOQDVAHOSWRUAA-LEWJYISDSA-N 1 2 472.634 3.441 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302070601 1066476218 /nfs/dbraw/zinc/47/62/18/1066476218.db2.gz BOQDVAHOSWRUAA-RTWAWAEBSA-N 1 2 472.634 3.441 20 0 JGADLO COCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001301632477 1066494540 /nfs/dbraw/zinc/49/45/40/1066494540.db2.gz JONOOPWEAYFJIM-IBGZPJMESA-N 1 2 465.017 3.379 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCc1ccc(Cl)cc1 ZINC001302083688 1066505438 /nfs/dbraw/zinc/50/54/38/1066505438.db2.gz IJIAXNJEBXVEQH-SFHVURJKSA-N 1 2 486.020 3.323 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1cc(Cl)ccc1OC ZINC001302084437 1066507913 /nfs/dbraw/zinc/50/79/13/1066507913.db2.gz LXPVJYONUHNQJT-GOSISDBHSA-N 1 2 487.004 3.434 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001302085680 1066509808 /nfs/dbraw/zinc/50/98/08/1066509808.db2.gz ULESLXTZMLADDL-MOPGFXCFSA-N 1 2 483.592 3.370 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@H](C)c1ccc(F)cc1 ZINC001302085687 1066509939 /nfs/dbraw/zinc/50/99/39/1066509939.db2.gz ULESLXTZMLADDL-RTBURBONSA-N 1 2 483.592 3.370 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1C[C@@H]1CCSC1(C)C ZINC001302088541 1066513959 /nfs/dbraw/zinc/51/39/59/1066513959.db2.gz FGGPOMRMYGTDFV-MOPGFXCFSA-N 1 2 478.663 3.152 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1Cc1occc1C ZINC001302089783 1066516625 /nfs/dbraw/zinc/51/66/25/1066516625.db2.gz RMAJMWDSNLWSAQ-LJQANCHMSA-N 1 2 457.550 3.413 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1Cc1nccs1 ZINC001302090740 1066518272 /nfs/dbraw/zinc/51/82/72/1066518272.db2.gz XKNXQZPHNOULRX-QGZVFWFLSA-N 1 2 477.034 3.483 20 0 JGADLO COCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001301652518 1066521042 /nfs/dbraw/zinc/52/10/42/1066521042.db2.gz MGKFPYYSZNMJFV-UHFFFAOYSA-N 1 2 454.575 3.129 20 0 JGADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301656627 1066526029 /nfs/dbraw/zinc/52/60/29/1066526029.db2.gz ZEPMHCJRBBBHCB-DXIQSLLYSA-N 1 2 490.599 3.058 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001302096759 1066528201 /nfs/dbraw/zinc/52/82/01/1066528201.db2.gz IPNGOTRMZYECOB-QFBILLFUSA-N 1 2 480.491 3.004 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001302096760 1066528255 /nfs/dbraw/zinc/52/82/55/1066528255.db2.gz IPNGOTRMZYECOB-VQIMIIECSA-N 1 2 480.491 3.004 20 0 JGADLO C[C@@H]1Cn2nc(C(=O)N3CC[NH2+][C@@H](c4ccc(Cl)cc4)C3)cc2CN1C(=O)OC(C)(C)C ZINC001301660256 1066530295 /nfs/dbraw/zinc/53/02/95/1066530295.db2.gz CQJPEBJNZJDWBQ-FOIQADDNSA-N 1 2 459.978 3.462 20 0 JGADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nnc(-c3ccccc3C)n2CC2(C)CCCC2)CC1 ZINC001301661064 1066530724 /nfs/dbraw/zinc/53/07/24/1066530724.db2.gz RETSYOUEIJKSGD-JOCHJYFZSA-N 1 2 482.673 3.497 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCSC(C)(C)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001302106970 1066542649 /nfs/dbraw/zinc/54/26/49/1066542649.db2.gz YRNASRDHAYPVGJ-OALUTQOASA-N 1 2 490.674 3.002 20 0 JGADLO COCCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001301682892 1066565908 /nfs/dbraw/zinc/56/59/08/1066565908.db2.gz JTAIFLWGJCYNSF-WZONZLPQSA-N 1 2 496.077 3.362 20 0 JGADLO CC(C)(C)Cc1nnc(N(CCS(C)(=O)=O)C2CC2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001302128205 1066570872 /nfs/dbraw/zinc/57/08/72/1066570872.db2.gz ZWDDUEQWSSFLTQ-LJQANCHMSA-N 1 2 463.648 3.310 20 0 JGADLO COCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001301690595 1066578128 /nfs/dbraw/zinc/57/81/28/1066578128.db2.gz FWZKROBNFUTMKR-MRXNPFEDSA-N 1 2 474.968 3.489 20 0 JGADLO COCCO[C@H]1CCCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC001302145799 1066595602 /nfs/dbraw/zinc/59/56/02/1066595602.db2.gz RVJANFXMOFDRDM-DEOSSOPVSA-N 1 2 484.689 3.025 20 0 JGADLO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC001301714100 1066614903 /nfs/dbraw/zinc/61/49/03/1066614903.db2.gz UWFGVIRDHLLEEG-RBBKRZOGSA-N 1 2 498.672 3.203 20 0 JGADLO COCCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001302179626 1066656176 /nfs/dbraw/zinc/65/61/76/1066656176.db2.gz OODRETSXMAXCRY-QMMLZNLJSA-N 1 2 479.572 3.343 20 0 JGADLO CC(C)(C)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001302202938 1066698705 /nfs/dbraw/zinc/69/87/05/1066698705.db2.gz LMNHBMHBDONNMB-UHFFFAOYSA-N 1 2 477.675 3.033 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)CCC2CC2)CC1 ZINC001301762831 1066701961 /nfs/dbraw/zinc/70/19/61/1066701961.db2.gz CBEOMNYYZSPFIZ-NRFANRHFSA-N 1 2 468.646 3.435 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001301763366 1066703265 /nfs/dbraw/zinc/70/32/65/1066703265.db2.gz FIXINMMMRPTRRT-UNMCSNQZSA-N 1 2 498.672 3.203 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001301765759 1066706540 /nfs/dbraw/zinc/70/65/40/1066706540.db2.gz YRYFTHHZQZWUKT-ZWKOTPCHSA-N 1 2 493.077 3.177 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001301765787 1066706673 /nfs/dbraw/zinc/70/66/73/1066706673.db2.gz YYNLKMYHNNIUCF-AUSIDOKSSA-N 1 2 472.609 3.346 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001301769652 1066713003 /nfs/dbraw/zinc/71/30/03/1066713003.db2.gz CXURTKBUBVBCOU-IBGZPJMESA-N 1 2 480.991 3.168 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(N3CCO[C@@H](c4ccc(F)cc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001301774167 1066719232 /nfs/dbraw/zinc/71/92/32/1066719232.db2.gz BFDHFROGLCOCLK-OAQYLSRUSA-N 1 2 493.027 3.110 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001301774156 1066719390 /nfs/dbraw/zinc/71/93/90/1066719390.db2.gz BAJBFFZHZBGMEP-UHFFFAOYSA-N 1 2 468.646 3.264 20 0 JGADLO COCCn1c(COc2cccc(C)c2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001301841289 1066813180 /nfs/dbraw/zinc/81/31/80/1066813180.db2.gz MTELMEAYHRXWJN-UHFFFAOYSA-N 1 2 465.602 3.360 20 0 JGADLO CC(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001301858786 1066841694 /nfs/dbraw/zinc/84/16/94/1066841694.db2.gz RFULHKRGDYHQEY-OAQYLSRUSA-N 1 2 453.635 3.362 20 0 JGADLO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302278938 1066846950 /nfs/dbraw/zinc/84/69/50/1066846950.db2.gz VPLCPRTVOWKSAP-UXHICEINSA-N 1 2 492.665 3.124 20 0 JGADLO CC(C)(Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)C(F)(F)F ZINC001302336288 1066935850 /nfs/dbraw/zinc/93/58/50/1066935850.db2.gz IZKWEXFIXKQYIB-UHFFFAOYSA-N 1 2 499.969 3.326 20 0 JGADLO CC(=O)NCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001301916388 1066946854 /nfs/dbraw/zinc/94/68/54/1066946854.db2.gz LDQLREACTKCNPS-RUZDIDTESA-N 1 2 495.716 3.374 20 0 JGADLO CC(=O)NCCCn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001301929052 1066966156 /nfs/dbraw/zinc/96/61/56/1066966156.db2.gz JEEBDGOOTTUVJU-UHFFFAOYSA-N 1 2 488.061 3.136 20 0 JGADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC001301930620 1066968063 /nfs/dbraw/zinc/96/80/63/1066968063.db2.gz MMNMVTCJSCIGNZ-JTHBVZDNSA-N 1 2 497.688 3.449 20 0 JGADLO COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001301941858 1066989903 /nfs/dbraw/zinc/98/99/03/1066989903.db2.gz IXHXIOCVYDPQHG-YADHBBJMSA-N 1 2 491.640 3.352 20 0 JGADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001301941856 1066990004 /nfs/dbraw/zinc/99/00/04/1066990004.db2.gz IXHXIOCVYDPQHG-FGZHOGPDSA-N 1 2 491.640 3.352 20 0 JGADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC(C)(C)C)n2CCc2cn3ccccc3[nH+]2)C1 ZINC001301943651 1066994313 /nfs/dbraw/zinc/99/43/13/1066994313.db2.gz QMMHHZZOZVIKET-WOJBJXKFSA-N 1 2 481.645 3.125 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001302410902 1066994982 /nfs/dbraw/zinc/99/49/82/1066994982.db2.gz WEKURWCGFDDBGT-XZOQPEGZSA-N 1 2 482.673 3.390 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001302410898 1066995041 /nfs/dbraw/zinc/99/50/41/1066995041.db2.gz WEKURWCGFDDBGT-GOTSBHOMSA-N 1 2 482.673 3.390 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302417634 1067000542 /nfs/dbraw/zinc/00/05/42/1067000542.db2.gz OSJIGZNZPYIHCE-OAQYLSRUSA-N 1 2 453.635 3.261 20 0 JGADLO CC(C)C(=O)NCCN(C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302453016 1067055365 /nfs/dbraw/zinc/05/53/65/1067055365.db2.gz JLUPKOXYZYROGH-UHFFFAOYSA-N 1 2 476.629 3.372 20 0 JGADLO Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@@H]2C)cnn1C ZINC001304016523 1067060320 /nfs/dbraw/zinc/06/03/20/1067060320.db2.gz XZSDZYPPMMCQJW-SIKLNZKXSA-N 1 2 481.645 3.434 20 0 JGADLO Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@@H]2C)cnn1C ZINC001304016523 1067060334 /nfs/dbraw/zinc/06/03/34/1067060334.db2.gz XZSDZYPPMMCQJW-SIKLNZKXSA-N 1 2 481.645 3.434 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2CC[N@@H+]2CCOC[C@@H]2C)c1C ZINC001304020999 1067065446 /nfs/dbraw/zinc/06/54/46/1067065446.db2.gz WMJDAXCFLBNTNM-KSEOMHKRSA-N 1 2 457.619 3.371 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2CC[N@H+]2CCOC[C@@H]2C)c1C ZINC001304020999 1067065460 /nfs/dbraw/zinc/06/54/60/1067065460.db2.gz WMJDAXCFLBNTNM-KSEOMHKRSA-N 1 2 457.619 3.371 20 0 JGADLO CC(C)C(=O)NCCn1c(CC(C)(C)C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001302468391 1067071916 /nfs/dbraw/zinc/07/19/16/1067071916.db2.gz DULMVMFFBFEGEN-IBGZPJMESA-N 1 2 476.691 3.210 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@@H+]2CCOC[C@@H]2C)c1C ZINC001304031415 1067079664 /nfs/dbraw/zinc/07/96/64/1067079664.db2.gz UJXCCKUOZFGLDM-GMAHTHKFSA-N 1 2 498.672 3.060 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@H+]2CCOC[C@@H]2C)c1C ZINC001304031415 1067079682 /nfs/dbraw/zinc/07/96/82/1067079682.db2.gz UJXCCKUOZFGLDM-GMAHTHKFSA-N 1 2 498.672 3.060 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@@H+]2CCOC[C@H]2C)c1C ZINC001304031413 1067079877 /nfs/dbraw/zinc/07/98/77/1067079877.db2.gz UJXCCKUOZFGLDM-GGAORHGYSA-N 1 2 498.672 3.060 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@H+]2CCOC[C@H]2C)c1C ZINC001304031413 1067079890 /nfs/dbraw/zinc/07/98/90/1067079890.db2.gz UJXCCKUOZFGLDM-GGAORHGYSA-N 1 2 498.672 3.060 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCS(C)(=O)=O)c1C ZINC001304031595 1067080064 /nfs/dbraw/zinc/08/00/64/1067080064.db2.gz VTHPQTDGQVQXRE-NRFANRHFSA-N 1 2 477.675 3.248 20 0 JGADLO CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)C(C)(C)C1 ZINC001304040910 1067084556 /nfs/dbraw/zinc/08/45/56/1067084556.db2.gz CECRAAWMTWDTEP-OAQYLSRUSA-N 1 2 450.608 3.388 20 0 JGADLO CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)C(C)(C)C1 ZINC001304040910 1067084570 /nfs/dbraw/zinc/08/45/70/1067084570.db2.gz CECRAAWMTWDTEP-OAQYLSRUSA-N 1 2 450.608 3.388 20 0 JGADLO CC(C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001302492737 1067092768 /nfs/dbraw/zinc/09/27/68/1067092768.db2.gz OBZYSEYHCZBSSM-HSZRJFAPSA-N 1 2 458.010 3.061 20 0 JGADLO Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3[nH]c4c([nH+]3)CCCC4)CC2)c1C ZINC001304054783 1067095352 /nfs/dbraw/zinc/09/53/52/1067095352.db2.gz YFYVKTAGMUYOAX-UHFFFAOYSA-N 1 2 458.628 3.239 20 0 JGADLO CC(C)[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001302500481 1067098540 /nfs/dbraw/zinc/09/85/40/1067098540.db2.gz JILYMUQEAPHBOC-OFVILXPXSA-N 1 2 484.670 3.242 20 0 JGADLO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1cccs1)[NH+]1CCOCC1 ZINC001302511738 1067123018 /nfs/dbraw/zinc/12/30/18/1067123018.db2.gz WLWGMBJBNNJVTJ-RBUKOAKNSA-N 1 2 460.648 3.130 20 0 JGADLO Cc1c(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)cnn1C ZINC001304089339 1067134012 /nfs/dbraw/zinc/13/40/12/1067134012.db2.gz VUVWVHIWJHWORC-UWJYYQICSA-N 1 2 473.572 3.432 20 0 JGADLO CS[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001302546315 1067180585 /nfs/dbraw/zinc/18/05/85/1067180585.db2.gz XSCPFQWTTCSDTE-MRXNPFEDSA-N 1 2 481.041 3.234 20 0 JGADLO CS[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001302548638 1067185504 /nfs/dbraw/zinc/18/55/04/1067185504.db2.gz RYGQWXALAUQPJZ-WMZOPIPTSA-N 1 2 496.523 3.392 20 0 JGADLO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(N(C)C)[nH+]c3)CC2)no1 ZINC001304147419 1067193004 /nfs/dbraw/zinc/19/30/04/1067193004.db2.gz RSGDLBLRFDAUMX-UHFFFAOYSA-N 1 2 480.617 3.071 20 0 JGADLO CC(C)c1ncc(CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)[nH+]c2)cn1 ZINC001302556974 1067195732 /nfs/dbraw/zinc/19/57/32/1067195732.db2.gz FEKYYYSDZROXSF-UHFFFAOYSA-N 1 2 457.586 3.323 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCC(CCCO)CC3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001304174280 1067222455 /nfs/dbraw/zinc/22/24/55/1067222455.db2.gz CFWLEZNJJVWRSO-JOCHJYFZSA-N 1 2 471.646 3.184 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCC(CCCO)CC3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001304174280 1067222464 /nfs/dbraw/zinc/22/24/64/1067222464.db2.gz CFWLEZNJJVWRSO-JOCHJYFZSA-N 1 2 471.646 3.184 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCCNc2cccc[nH+]2)c1 ZINC001304178995 1067228362 /nfs/dbraw/zinc/22/83/62/1067228362.db2.gz PVAAAZAULACPMF-JOCHJYFZSA-N 1 2 498.653 3.385 20 0 JGADLO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001302593390 1067231730 /nfs/dbraw/zinc/23/17/30/1067231730.db2.gz GCNBTFRFCFMKLQ-ZLIKVQRKSA-N 1 2 459.637 3.001 20 0 JGADLO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001302593390 1067231735 /nfs/dbraw/zinc/23/17/35/1067231735.db2.gz GCNBTFRFCFMKLQ-ZLIKVQRKSA-N 1 2 459.637 3.001 20 0 JGADLO Cc1cc(C)cc(OCCn2c(C(=O)NC(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)c1 ZINC001304184947 1067235815 /nfs/dbraw/zinc/23/58/15/1067235815.db2.gz IKBWLCHMBSDNSR-UHFFFAOYSA-N 1 2 477.613 3.136 20 0 JGADLO Cc1cc(CN(C)c2nnc(-c3cc(Br)c[nH]3)n2Cc2ccc(N(C)C)[nH+]c2)no1 ZINC001304199203 1067249057 /nfs/dbraw/zinc/24/90/57/1067249057.db2.gz ULMMSKCDIOEBSH-UHFFFAOYSA-N 1 2 471.363 3.478 20 0 JGADLO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+]2CCOCC2)no1 ZINC001304202673 1067250591 /nfs/dbraw/zinc/25/05/91/1067250591.db2.gz QUJSSDRCAFHPHU-ZDUSSCGKSA-N 1 2 481.420 3.423 20 0 JGADLO Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@H]2C)no1 ZINC001304209555 1067253720 /nfs/dbraw/zinc/25/37/20/1067253720.db2.gz DJESUWBDNBNJOL-MRXNPFEDSA-N 1 2 460.966 3.164 20 0 JGADLO Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@H]2C)no1 ZINC001304209555 1067253728 /nfs/dbraw/zinc/25/37/28/1067253728.db2.gz DJESUWBDNBNJOL-MRXNPFEDSA-N 1 2 460.966 3.164 20 0 JGADLO Cc1cc(F)ccc1CCn1c(C(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001304242068 1067279100 /nfs/dbraw/zinc/27/91/00/1067279100.db2.gz YWKWFADKUAXDCF-DEOSSOPVSA-N 1 2 472.653 3.323 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C(C)C)n3Cc3ccc(S(C)(=O)=O)cc3)CC2)nc(C(C)C)[nH+]1 ZINC001304245934 1067281596 /nfs/dbraw/zinc/28/15/96/1067281596.db2.gz UANSRVRUXMSSFO-UHFFFAOYSA-N 1 2 497.669 3.402 20 0 JGADLO Cc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC001304255158 1067290579 /nfs/dbraw/zinc/29/05/79/1067290579.db2.gz YOCIKPUHUOPPNE-DHIUTWEWSA-N 1 2 482.673 3.385 20 0 JGADLO CS[C@@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001302675638 1067301216 /nfs/dbraw/zinc/30/12/16/1067301216.db2.gz ACCXVXKXMSDXMC-CEWLAPEOSA-N 1 2 495.690 3.344 20 0 JGADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CO)CC3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001304268451 1067301838 /nfs/dbraw/zinc/30/18/38/1067301838.db2.gz LIGPWJMRSXZMEF-OAQYLSRUSA-N 1 2 471.646 3.218 20 0 JGADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CO)CC3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001304268451 1067301843 /nfs/dbraw/zinc/30/18/43/1067301843.db2.gz LIGPWJMRSXZMEF-OAQYLSRUSA-N 1 2 471.646 3.218 20 0 JGADLO CS[C@@H]1CCCCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001302676483 1067302178 /nfs/dbraw/zinc/30/21/78/1067302178.db2.gz DLPKVQQOQDHZJW-RBUKOAKNSA-N 1 2 463.623 3.439 20 0 JGADLO CC(C)c1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302703810 1067326399 /nfs/dbraw/zinc/32/63/99/1067326399.db2.gz BRYMSBWLXUJRER-YLJYHZDGSA-N 1 2 465.545 3.302 20 0 JGADLO CC(C)c1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001302703810 1067326412 /nfs/dbraw/zinc/32/64/12/1067326412.db2.gz BRYMSBWLXUJRER-YLJYHZDGSA-N 1 2 465.545 3.302 20 0 JGADLO CC(C)c1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302703809 1067326688 /nfs/dbraw/zinc/32/66/88/1067326688.db2.gz BRYMSBWLXUJRER-XLIONFOSSA-N 1 2 465.545 3.302 20 0 JGADLO CC(C)c1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001302703809 1067326708 /nfs/dbraw/zinc/32/67/08/1067326708.db2.gz BRYMSBWLXUJRER-XLIONFOSSA-N 1 2 465.545 3.302 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001302725770 1067341996 /nfs/dbraw/zinc/34/19/96/1067341996.db2.gz JHAYJWHAVNRGHE-NNMXDRDESA-N 1 2 491.727 3.205 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302725770 1067342004 /nfs/dbraw/zinc/34/20/04/1067342004.db2.gz JHAYJWHAVNRGHE-NNMXDRDESA-N 1 2 491.727 3.205 20 0 JGADLO Cc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)o1 ZINC001304309586 1067357067 /nfs/dbraw/zinc/35/70/67/1067357067.db2.gz FMYLGVSZXXQCKH-HXOBKFHXSA-N 1 2 458.513 3.129 20 0 JGADLO CC(C)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001302764422 1067364895 /nfs/dbraw/zinc/36/48/95/1067364895.db2.gz UPPQUNXABNPRAM-PXNSSMCTSA-N 1 2 460.573 3.464 20 0 JGADLO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)o1 ZINC001304321988 1067369358 /nfs/dbraw/zinc/36/93/58/1067369358.db2.gz IQKBWNHQLSGGBE-QZTJIDSGSA-N 1 2 474.606 3.013 20 0 JGADLO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)o1 ZINC001304321988 1067369369 /nfs/dbraw/zinc/36/93/69/1067369369.db2.gz IQKBWNHQLSGGBE-QZTJIDSGSA-N 1 2 474.606 3.013 20 0 JGADLO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC001304338804 1067384281 /nfs/dbraw/zinc/38/42/81/1067384281.db2.gz RIDAOBXPPIOQRG-SFHVURJKSA-N 1 2 499.666 3.188 20 0 JGADLO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC001304346251 1067388525 /nfs/dbraw/zinc/38/85/25/1067388525.db2.gz YOMXQWDEKIYSLW-UHFFFAOYSA-N 1 2 476.629 3.321 20 0 JGADLO Cc1ccc(Cn2c(-c3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)c(OCC(F)(F)F)c1 ZINC001304350519 1067392235 /nfs/dbraw/zinc/39/22/35/1067392235.db2.gz AGZLVBDKUQDKTL-UHFFFAOYSA-N 1 2 490.530 3.406 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccsc2)cc1C ZINC001304376148 1067417092 /nfs/dbraw/zinc/41/70/92/1067417092.db2.gz UMAFPBFNRGHAEW-UHFFFAOYSA-N 1 2 454.600 3.025 20 0 JGADLO CC(C)Cc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001302845901 1067431460 /nfs/dbraw/zinc/43/14/60/1067431460.db2.gz DDUYTVUPQFVEIP-UHFFFAOYSA-N 1 2 466.611 3.407 20 0 JGADLO CC(C)Cc1nnc(N(C)Cc2ccccc2N2CCOCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302847625 1067433131 /nfs/dbraw/zinc/43/31/31/1067433131.db2.gz LUBNLTRHZBBXBO-UHFFFAOYSA-N 1 2 463.630 3.459 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1C ZINC001304384367 1067434825 /nfs/dbraw/zinc/43/48/25/1067434825.db2.gz PEQPVRSDPWWXOU-UHFFFAOYSA-N 1 2 463.586 3.272 20 0 JGADLO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCNc2cccc[nH+]2)CCN1C(=O)OC(C)(C)C ZINC001302851465 1067436253 /nfs/dbraw/zinc/43/62/53/1067436253.db2.gz KDWOLWWYNUTDEZ-GOSISDBHSA-N 1 2 479.589 3.078 20 0 JGADLO Cc1ncc(CN(C)c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)s1 ZINC001304398940 1067461424 /nfs/dbraw/zinc/46/14/24/1067461424.db2.gz YXHFSDBYRWQVDN-SFHVURJKSA-N 1 2 456.616 3.288 20 0 JGADLO Cc1ncc(CN(C)c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)s1 ZINC001304398940 1067461427 /nfs/dbraw/zinc/46/14/27/1067461427.db2.gz YXHFSDBYRWQVDN-SFHVURJKSA-N 1 2 456.616 3.288 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1C ZINC001304401916 1067464270 /nfs/dbraw/zinc/46/42/70/1067464270.db2.gz MULLBFNGSDGRDW-UHFFFAOYSA-N 1 2 484.689 3.363 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1C ZINC001304401916 1067464276 /nfs/dbraw/zinc/46/42/76/1067464276.db2.gz MULLBFNGSDGRDW-UHFFFAOYSA-N 1 2 484.689 3.363 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CC[C@@H]2CCO[C@H](C)C2)cc1 ZINC001304404375 1067466825 /nfs/dbraw/zinc/46/68/25/1067466825.db2.gz QXCUKIZMMVCEDG-FGZHOGPDSA-N 1 2 457.619 3.139 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC(OC(C)C)CC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001304412123 1067480571 /nfs/dbraw/zinc/48/05/71/1067480571.db2.gz ZTWOKALIEDNFPI-OAQYLSRUSA-N 1 2 457.619 3.280 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC(OC(C)C)CC3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001304412123 1067480572 /nfs/dbraw/zinc/48/05/72/1067480572.db2.gz ZTWOKALIEDNFPI-OAQYLSRUSA-N 1 2 457.619 3.280 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001304419146 1067493704 /nfs/dbraw/zinc/49/37/04/1067493704.db2.gz LVNSVOOGUUAQPC-OAQYLSRUSA-N 1 2 491.640 3.368 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1C ZINC001304423982 1067500830 /nfs/dbraw/zinc/50/08/30/1067500830.db2.gz CHKQQOZPLZZQRO-GMAHTHKFSA-N 1 2 457.619 3.056 20 0 JGADLO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001304430846 1067508695 /nfs/dbraw/zinc/50/86/95/1067508695.db2.gz UQSZVXMRVLLMCS-UHFFFAOYSA-N 1 2 497.669 3.168 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001304431162 1067509436 /nfs/dbraw/zinc/50/94/36/1067509436.db2.gz CGLLRCUFVJMQBV-GOSISDBHSA-N 1 2 488.683 3.257 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)Cc3cnn(C)c3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001304432065 1067510486 /nfs/dbraw/zinc/51/04/86/1067510486.db2.gz XNILYENNULEPSD-UHFFFAOYSA-N 1 2 469.659 3.360 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC[N@H+]2CC=CCC2)cc1 ZINC001304432430 1067510786 /nfs/dbraw/zinc/51/07/86/1067510786.db2.gz XOKMVAVJIKHFOM-LJQANCHMSA-N 1 2 463.673 3.010 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001304432430 1067510792 /nfs/dbraw/zinc/51/07/92/1067510792.db2.gz XOKMVAVJIKHFOM-LJQANCHMSA-N 1 2 463.673 3.010 20 0 JGADLO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CCCNc1cccc[nH+]1 ZINC001302940150 1067514268 /nfs/dbraw/zinc/51/42/68/1067514268.db2.gz UIGBDRTZQUMQMU-UHFFFAOYSA-N 1 2 463.586 3.042 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCO[C@H](C)C2)cc1 ZINC001304435127 1067514489 /nfs/dbraw/zinc/51/44/89/1067514489.db2.gz RZJFWSVYLLXTLV-NHCUHLMSSA-N 1 2 459.660 3.462 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)CCc3cnccn3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001304435393 1067514510 /nfs/dbraw/zinc/51/45/10/1067514510.db2.gz VWFGPTIRCTYXIX-HXUWFJFHSA-N 1 2 467.643 3.068 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)CCc3cnccn3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001304435393 1067514515 /nfs/dbraw/zinc/51/45/15/1067514515.db2.gz VWFGPTIRCTYXIX-HXUWFJFHSA-N 1 2 467.643 3.068 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001304435126 1067514630 /nfs/dbraw/zinc/51/46/30/1067514630.db2.gz RZJFWSVYLLXTLV-LEWJYISDSA-N 1 2 459.660 3.462 20 0 JGADLO Cc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCC(CCC(N)=O)CC2)[NH+]2CCOCC2)c1 ZINC001304442395 1067523376 /nfs/dbraw/zinc/52/33/76/1067523376.db2.gz JGIOBPYIGWUSRU-QHCPKHFHSA-N 1 2 468.646 3.265 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCC[C@@H]1CCCCO1 ZINC001302965346 1067535343 /nfs/dbraw/zinc/53/53/43/1067535343.db2.gz RHGPQJQNRGKXOY-BJKOFHAPSA-N 1 2 476.710 3.057 20 0 JGADLO CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN(C)c3cccc[nH+]3)CC2)cc1 ZINC001302976326 1067542371 /nfs/dbraw/zinc/54/23/71/1067542371.db2.gz XFAOIRWRTQTPPS-UHFFFAOYSA-N 1 2 458.628 3.248 20 0 JGADLO Cc1cccc(CCCn2c(-c3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)[nH+]1 ZINC001304482669 1067562030 /nfs/dbraw/zinc/56/20/30/1067562030.db2.gz PWOCRVWPKZHBQH-FQEVSTJZSA-N 1 2 454.600 3.080 20 0 JGADLO Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CCCC3)C2)[nH+]1 ZINC001304482839 1067562271 /nfs/dbraw/zinc/56/22/71/1067562271.db2.gz RDXFFXTYKXPSTL-LJQANCHMSA-N 1 2 460.648 3.385 20 0 JGADLO Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3cc(F)cc(F)c3C2)[nH+]1 ZINC001304483107 1067562370 /nfs/dbraw/zinc/56/23/70/1067562370.db2.gz UILRLVNZGOQOQH-MRXNPFEDSA-N 1 2 490.580 3.065 20 0 JGADLO Cc1cccc(CCCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@@H]2CCOC2)[nH+]1 ZINC001304484066 1067563263 /nfs/dbraw/zinc/56/32/63/1067563263.db2.gz ZTCLJXNSFSWJEQ-FQEVSTJZSA-N 1 2 498.653 3.004 20 0 JGADLO Cc1cccc(CCCn2c(Cc3c(F)cccc3F)nnc2N(C)CC(=O)NC(C)C)[nH+]1 ZINC001304484742 1067563955 /nfs/dbraw/zinc/56/39/55/1067563955.db2.gz ALTNALXLYQUCIL-UHFFFAOYSA-N 1 2 456.541 3.444 20 0 JGADLO CC(C)CC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001303010162 1067564954 /nfs/dbraw/zinc/56/49/54/1067564954.db2.gz KURWVGPZSWZTMB-ZBLYBZFDSA-N 1 2 499.704 3.040 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001304487060 1067565572 /nfs/dbraw/zinc/56/55/72/1067565572.db2.gz RPRSBXZUARPLLU-PMACEKPBSA-N 1 2 483.617 3.011 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001304487061 1067565696 /nfs/dbraw/zinc/56/56/96/1067565696.db2.gz RPRSBXZUARPLLU-UXHICEINSA-N 1 2 483.617 3.011 20 0 JGADLO CC(C)CC[C@@](C)(O)Cn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303023180 1067575513 /nfs/dbraw/zinc/57/55/13/1067575513.db2.gz UPZXBKZQTIJSEL-FTJBHMTQSA-N 1 2 486.661 3.228 20 0 JGADLO Cc1nc(Cn2c(COc3cccc(C)c3)nnc2N(C)CC[NH+]2CCOCC2)sc1C ZINC001304504360 1067578460 /nfs/dbraw/zinc/57/84/60/1067578460.db2.gz QJEYDZWDZMUEFP-UHFFFAOYSA-N 1 2 456.616 3.056 20 0 JGADLO Cc1cccc(OCc2nnc(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)n2CC(C)C)c1 ZINC001304511541 1067587163 /nfs/dbraw/zinc/58/71/63/1067587163.db2.gz DWKHNUPPZYIUPU-XMMPIXPASA-N 1 2 470.662 3.053 20 0 JGADLO Cc1ccccc1Cc1nnc(N(C)Cc2ncnn2CC(F)F)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001304548601 1067617648 /nfs/dbraw/zinc/61/76/48/1067617648.db2.gz XNOGZTHWANVXKR-UHFFFAOYSA-N 1 2 481.555 3.180 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001304558673 1067627621 /nfs/dbraw/zinc/62/76/21/1067627621.db2.gz BSKMSICBQWGHGP-FGZHOGPDSA-N 1 2 498.672 3.344 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001304558673 1067627626 /nfs/dbraw/zinc/62/76/26/1067627626.db2.gz BSKMSICBQWGHGP-FGZHOGPDSA-N 1 2 498.672 3.344 20 0 JGADLO Cc1ccccc1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304567707 1067636294 /nfs/dbraw/zinc/63/62/94/1067636294.db2.gz XZDJMQHCZBXXKA-AREMUKBSSA-N 1 2 471.646 3.374 20 0 JGADLO Cc1cccnc1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001304583797 1067652729 /nfs/dbraw/zinc/65/27/29/1067652729.db2.gz YVVSZAPXOQEXME-UHFFFAOYSA-N 1 2 456.978 3.031 20 0 JGADLO CC1=CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001304597589 1067660607 /nfs/dbraw/zinc/66/06/07/1067660607.db2.gz CAWHTJQDARVNTN-GOSISDBHSA-N 1 2 476.419 3.497 20 0 JGADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)CCC2 ZINC001304608237 1067676070 /nfs/dbraw/zinc/67/60/70/1067676070.db2.gz MCLASNGEQLFCMV-SJORKVTESA-N 1 2 481.567 3.454 20 0 JGADLO COc1cccc([C@@H]2CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2(C)C)c1 ZINC001303170760 1067704052 /nfs/dbraw/zinc/70/40/52/1067704052.db2.gz VMXUDFMKYQTEPA-QFIPXVFZSA-N 1 2 450.583 3.314 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001303183093 1067715396 /nfs/dbraw/zinc/71/53/96/1067715396.db2.gz PVIPJWIDYJADLI-IBGZPJMESA-N 1 2 493.649 3.303 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)cs1 ZINC001304650453 1067718254 /nfs/dbraw/zinc/71/82/54/1067718254.db2.gz YQSZBIJYHKYXJQ-UHFFFAOYSA-N 1 2 496.685 3.418 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2c(F)cc(F)c(F)c2F)cs1 ZINC001304655861 1067724233 /nfs/dbraw/zinc/72/42/33/1067724233.db2.gz ALNHPBAZSBRQDR-UHFFFAOYSA-N 1 2 484.523 3.007 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 ZINC001303192099 1067726363 /nfs/dbraw/zinc/72/63/63/1067726363.db2.gz MTNKSQWRGDHLHY-QHCPKHFHSA-N 1 2 489.686 3.303 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001303191951 1067726409 /nfs/dbraw/zinc/72/64/09/1067726409.db2.gz KRBDUZKJLKXRSV-MOPGFXCFSA-N 1 2 473.634 3.174 20 0 JGADLO CC(C)CN1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)[C@H](C)C1=O ZINC001303195534 1067728840 /nfs/dbraw/zinc/72/88/40/1067728840.db2.gz IKXWCNAGWMKWQX-LJQANCHMSA-N 1 2 453.635 3.213 20 0 JGADLO Cc1nnc(CCn2c(-c3cc(F)ccc3Br)nnc2N2CC[NH+](CC(C)C)CC2)[nH]1 ZINC001304678716 1067751031 /nfs/dbraw/zinc/75/10/31/1067751031.db2.gz GVLYWUAXVZGANC-UHFFFAOYSA-N 1 2 491.413 3.294 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCC(C)(C)O)CC2)s1 ZINC001304699117 1067769389 /nfs/dbraw/zinc/76/93/89/1067769389.db2.gz DFARRPXEBSQJAK-UHFFFAOYSA-N 1 2 494.463 3.284 20 0 JGADLO Cc1nc(N2CCN(c3nnc(C(C)(C)C)n3Cc3c(Cl)c(C(F)(F)F)nn3C)CC2)cc[nH+]1 ZINC001304699983 1067770549 /nfs/dbraw/zinc/77/05/49/1067770549.db2.gz OQSPQUZWUWWCMC-UHFFFAOYSA-N 1 2 497.957 3.455 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc([C@@H]4CCCOC4)n3CCCCOC(C)C)CC2)s1 ZINC001304700409 1067771027 /nfs/dbraw/zinc/77/10/27/1067771027.db2.gz PTIVOSJJCLQYRB-HXUWFJFHSA-N 1 2 462.664 3.464 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(Cc4ccc(F)cc4)n3CCNC(=O)C(C)(C)C)CC2)s1 ZINC001304700947 1067771759 /nfs/dbraw/zinc/77/17/59/1067771759.db2.gz ZYBFGIXPQSOCTK-UHFFFAOYSA-N 1 2 499.660 3.257 20 0 JGADLO Cc1nc(N2CCN(c3nnc(Cc4ccccn4)n3CCSCC(C)C)CC2)cc[nH+]1 ZINC001304701887 1067773028 /nfs/dbraw/zinc/77/30/28/1067773028.db2.gz LZTPYJKMZLPETE-UHFFFAOYSA-N 1 2 452.632 3.078 20 0 JGADLO Cc1nc(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCCOC(C)C)CC2)cc[nH+]1 ZINC001304702602 1067774506 /nfs/dbraw/zinc/77/45/06/1067774506.db2.gz VQILWJZSZXORCU-UHFFFAOYSA-N 1 2 456.982 3.234 20 0 JGADLO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304722148 1067793305 /nfs/dbraw/zinc/79/33/05/1067793305.db2.gz YHDXAKYLVZJNME-UHFFFAOYSA-N 1 2 498.651 3.009 20 0 JGADLO Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304722148 1067793313 /nfs/dbraw/zinc/79/33/13/1067793313.db2.gz YHDXAKYLVZJNME-UHFFFAOYSA-N 1 2 498.651 3.009 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2Cc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC001304740649 1067815932 /nfs/dbraw/zinc/81/59/32/1067815932.db2.gz MCAQEFQWWXKERV-UHFFFAOYSA-N 1 2 458.492 3.431 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001304744183 1067822611 /nfs/dbraw/zinc/82/26/11/1067822611.db2.gz WGWOWPCUXUVJLZ-LJQANCHMSA-N 1 2 489.571 3.098 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)n1 ZINC001304745550 1067825088 /nfs/dbraw/zinc/82/50/88/1067825088.db2.gz NADBUMLEXLDYTG-NRFANRHFSA-N 1 2 469.609 3.415 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2CC[N@H+]2CCOC[C@@H]2C)n1 ZINC001304745550 1067825097 /nfs/dbraw/zinc/82/50/97/1067825097.db2.gz NADBUMLEXLDYTG-NRFANRHFSA-N 1 2 469.609 3.415 20 0 JGADLO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001303311984 1067841553 /nfs/dbraw/zinc/84/15/53/1067841553.db2.gz TTWGXQOGYZPDQW-IBGZPJMESA-N 1 2 452.024 3.096 20 0 JGADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CN2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC001303314558 1067842555 /nfs/dbraw/zinc/84/25/55/1067842555.db2.gz VQPIXCUPBWAXOX-HSZRJFAPSA-N 1 2 455.574 3.497 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCCC3CCOCC3)CC2)C1 ZINC001303318415 1067849703 /nfs/dbraw/zinc/84/97/03/1067849703.db2.gz RFNRZHBGQCCLGL-XMMPIXPASA-N 1 2 490.737 3.305 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc([C@H]4CCCO4)n3CCCC(C)(C)C)CC2)C1 ZINC001303318654 1067850942 /nfs/dbraw/zinc/85/09/42/1067850942.db2.gz XJWMPCRHWVNKHI-FGZHOGPDSA-N 1 2 462.683 3.187 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001303325177 1067854451 /nfs/dbraw/zinc/85/44/51/1067854451.db2.gz VGJQEAREDNEXSQ-NQIIRXRSSA-N 1 2 460.598 3.110 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)cc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001303325179 1067854485 /nfs/dbraw/zinc/85/44/85/1067854485.db2.gz VGJQEAREDNEXSQ-WIYYLYMNSA-N 1 2 460.598 3.110 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001303330871 1067860835 /nfs/dbraw/zinc/86/08/35/1067860835.db2.gz GRGATCYRYKPNDN-FQEVSTJZSA-N 1 2 481.016 3.202 20 0 JGADLO Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1Cc1nccc(C(F)F)n1 ZINC001304861093 1067910259 /nfs/dbraw/zinc/91/02/59/1067910259.db2.gz QJDCFHLQYYPIIA-UHFFFAOYSA-N 1 2 463.920 3.217 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001303404663 1067933321 /nfs/dbraw/zinc/93/33/21/1067933321.db2.gz YPOJJBRNSHVBRN-UHFFFAOYSA-N 1 2 469.634 3.122 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@H]1CCOC[C@@H]1C ZINC001303407563 1067934487 /nfs/dbraw/zinc/93/44/87/1067934487.db2.gz GQENFNZYXDDLQH-AZUAARDMSA-N 1 2 475.037 3.065 20 0 JGADLO CC(C)NC(=O)CN(C)c1nnc(-c2cccc(Br)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303435729 1067958802 /nfs/dbraw/zinc/95/88/02/1067958802.db2.gz BBWALYGPNWWLAA-UHFFFAOYSA-N 1 2 486.418 3.178 20 0 JGADLO C[C@H]1C[C@H](C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001304920623 1067962190 /nfs/dbraw/zinc/96/21/90/1067962190.db2.gz TYBJZDOYPBITPT-ROUUACIJSA-N 1 2 468.627 3.340 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCNc2cccc[nH+]2)CCOC1 ZINC001303488615 1068012281 /nfs/dbraw/zinc/01/22/81/1068012281.db2.gz FLMQZQNYCGKHAR-NTKDMRAZSA-N 1 2 458.607 3.220 20 0 JGADLO C[C@@H](Oc1ccccn1)C(=O)NCc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001303493441 1068018648 /nfs/dbraw/zinc/01/86/48/1068018648.db2.gz OCMJSVQQKTVYLD-LJQANCHMSA-N 1 2 454.571 3.218 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC(C)(C)[NH+]2CCOCC2)CCOC1 ZINC001303493916 1068019305 /nfs/dbraw/zinc/01/93/05/1068019305.db2.gz IVMSSCWYDPLTMS-NLFFAJNJSA-N 1 2 463.667 3.302 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001303502624 1068033362 /nfs/dbraw/zinc/03/33/62/1068033362.db2.gz OLRXIGQWLMXLPF-LVXARBLLSA-N 1 2 493.693 3.213 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001303502624 1068033375 /nfs/dbraw/zinc/03/33/75/1068033375.db2.gz OLRXIGQWLMXLPF-LVXARBLLSA-N 1 2 493.693 3.213 20 0 JGADLO C[C@H]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001305000668 1068043041 /nfs/dbraw/zinc/04/30/41/1068043041.db2.gz NSVONXOMGZGQDL-IRXDYDNUSA-N 1 2 465.440 3.251 20 0 JGADLO C[C@@H]1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001305000666 1068043096 /nfs/dbraw/zinc/04/30/96/1068043096.db2.gz NSVONXOMGZGQDL-IAGOWNOFSA-N 1 2 465.440 3.251 20 0 JGADLO CC(C)OCCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001303555398 1068081268 /nfs/dbraw/zinc/08/12/68/1068081268.db2.gz NLYQTFHWXPXMMB-UHFFFAOYSA-N 1 2 475.037 3.191 20 0 JGADLO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001305042583 1068098439 /nfs/dbraw/zinc/09/84/39/1068098439.db2.gz IUPQLEVRJCXUOS-LWYYNNOASA-N 1 2 462.639 3.006 20 0 JGADLO C[C@@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305046669 1068104570 /nfs/dbraw/zinc/10/45/70/1068104570.db2.gz BEIQXGXIXKGHDW-MRXNPFEDSA-N 1 2 453.978 3.360 20 0 JGADLO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303587197 1068108558 /nfs/dbraw/zinc/10/85/58/1068108558.db2.gz NMRDPSYYHIVXBT-AUUYWEPGSA-N 1 2 455.513 3.214 20 0 JGADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305064254 1068134912 /nfs/dbraw/zinc/13/49/12/1068134912.db2.gz AMGJUHJQUMMZRF-UXHICEINSA-N 1 2 497.669 3.278 20 0 JGADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305066007 1068138087 /nfs/dbraw/zinc/13/80/87/1068138087.db2.gz KKKMNZNCCOJRDD-OALUTQOASA-N 1 2 471.675 3.426 20 0 JGADLO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccccc2Br)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001303644003 1068171950 /nfs/dbraw/zinc/17/19/50/1068171950.db2.gz FTYOSECCOUXZJP-INIZCTEOSA-N 1 2 498.429 3.451 20 0 JGADLO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001303652074 1068182264 /nfs/dbraw/zinc/18/22/64/1068182264.db2.gz HATFGMNCGIAHJP-SFGWALBWSA-N 1 2 465.602 3.131 20 0 JGADLO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCS(C)(=O)=O)C[C@@H](C)O1 ZINC001305113345 1068189250 /nfs/dbraw/zinc/18/92/50/1068189250.db2.gz NUAGWZCQLVCXIE-QZTJIDSGSA-N 1 2 498.093 3.357 20 0 JGADLO C[C@H]1CN(c2ccc(Cn3c(N(C)CCc4nccs4)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001305122833 1068206893 /nfs/dbraw/zinc/20/68/93/1068206893.db2.gz QSWPEXNZTMUFHJ-KRWDZBQOSA-N 1 2 455.632 3.379 20 0 JGADLO C[C@H](CN(C)c1nnc(C(=O)N2CCCC2)n1CCCNc1cccc[nH+]1)c1nccs1 ZINC001303676239 1068214986 /nfs/dbraw/zinc/21/49/86/1068214986.db2.gz XQHIKMVSXKINRI-QGZVFWFLSA-N 1 2 454.604 3.108 20 0 JGADLO C[C@H](CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)[NH+](C)C)c1nccs1 ZINC001303681946 1068217910 /nfs/dbraw/zinc/21/79/10/1068217910.db2.gz AQZRQOPLQPPUBS-ZACQAIPSSA-N 1 2 494.712 3.241 20 0 JGADLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)Oc1ccccc1 ZINC001303687904 1068226364 /nfs/dbraw/zinc/22/63/64/1068226364.db2.gz KWEHFGKYWRNWJM-SFTDATJTSA-N 1 2 454.619 3.002 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@H](C)Oc1ccccc1F ZINC001303690310 1068230163 /nfs/dbraw/zinc/23/01/63/1068230163.db2.gz YNWUFYFQRNBMKO-VXKWHMMOSA-N 1 2 488.652 3.239 20 0 JGADLO C[C@H](Cn1c(C2CCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC001303714552 1068261309 /nfs/dbraw/zinc/26/13/09/1068261309.db2.gz ZMCVRMFVGHJANV-CEXWTWQISA-N 1 2 459.660 3.250 20 0 JGADLO C[C@H](Cn1c(C2CCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC001303714552 1068261320 /nfs/dbraw/zinc/26/13/20/1068261320.db2.gz ZMCVRMFVGHJANV-CEXWTWQISA-N 1 2 459.660 3.250 20 0 JGADLO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@H]1C)[NH+]1CCOCC1 ZINC001303724200 1068275488 /nfs/dbraw/zinc/27/54/88/1068275488.db2.gz JNOCCWJSRGNOMN-VQTJNVASSA-N 1 2 458.626 3.442 20 0 JGADLO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001303728577 1068282941 /nfs/dbraw/zinc/28/29/41/1068282941.db2.gz URPYYBYIWPNVJE-MRXNPFEDSA-N 1 2 453.484 3.428 20 0 JGADLO C[C@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl)[NH+]1CCOCC1 ZINC001303728701 1068283394 /nfs/dbraw/zinc/28/33/94/1068283394.db2.gz PEARPCGCRLGGCA-QGZVFWFLSA-N 1 2 458.969 3.414 20 0 JGADLO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCn1cccn1)[NH+]1CCOCC1 ZINC001303735760 1068293507 /nfs/dbraw/zinc/29/35/07/1068293507.db2.gz CZKWHMIAELYTHF-GOSISDBHSA-N 1 2 476.050 3.277 20 0 JGADLO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1)[NH+]1CCOCC1 ZINC001303744946 1068305820 /nfs/dbraw/zinc/30/58/20/1068305820.db2.gz VKERLKSYSMQOAJ-ICSRJNTNSA-N 1 2 462.639 3.307 20 0 JGADLO O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001303749672 1068310395 /nfs/dbraw/zinc/31/03/95/1068310395.db2.gz XUUZBUCVXZIWNN-UHFFFAOYSA-N 1 2 456.612 3.292 20 0 JGADLO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCS1 ZINC001305211137 1068340627 /nfs/dbraw/zinc/34/06/27/1068340627.db2.gz DQISYRBBZRSYEU-DLBZAZTESA-N 1 2 452.024 3.173 20 0 JGADLO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CCS1 ZINC001305211137 1068340633 /nfs/dbraw/zinc/34/06/33/1068340633.db2.gz DQISYRBBZRSYEU-DLBZAZTESA-N 1 2 452.024 3.173 20 0 JGADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1CCc1cn2ccccc2[nH+]1 ZINC001303775683 1068354704 /nfs/dbraw/zinc/35/47/04/1068354704.db2.gz YUDKKSHKIBNQIH-INIZCTEOSA-N 1 2 473.002 3.358 20 0 JGADLO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)C1)[NH+]1CCOCC1 ZINC001305218382 1068355523 /nfs/dbraw/zinc/35/55/23/1068355523.db2.gz ZBBSDJARTFTZLJ-OTWHNJEPSA-N 1 2 480.679 3.013 20 0 JGADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001303780555 1068358811 /nfs/dbraw/zinc/35/88/11/1068358811.db2.gz IVSXYMFUFTYQQZ-APWZRJJASA-N 1 2 479.647 3.242 20 0 JGADLO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001303794748 1068380931 /nfs/dbraw/zinc/38/09/31/1068380931.db2.gz BHSSMAPOVLCREM-OALUTQOASA-N 1 2 476.666 3.396 20 0 JGADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001305234229 1068382384 /nfs/dbraw/zinc/38/23/84/1068382384.db2.gz MNJSXHOKQRRITF-RDJZCZTQSA-N 1 2 471.499 3.297 20 0 JGADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001305234229 1068382404 /nfs/dbraw/zinc/38/24/04/1068382404.db2.gz MNJSXHOKQRRITF-RDJZCZTQSA-N 1 2 471.499 3.297 20 0 JGADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CCC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001305234343 1068382992 /nfs/dbraw/zinc/38/29/92/1068382992.db2.gz OJUXGAFDQIPYDJ-IBGZPJMESA-N 1 2 476.666 3.350 20 0 JGADLO C[C@H]1COCC[N@H+]1CCn1c(C2CCC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001305234343 1068383008 /nfs/dbraw/zinc/38/30/08/1068383008.db2.gz OJUXGAFDQIPYDJ-IBGZPJMESA-N 1 2 476.666 3.350 20 0 JGADLO C[C@@H]1N(c2nnc(C(C)(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)CCOC1(C)C ZINC001305242000 1068392565 /nfs/dbraw/zinc/39/25/65/1068392565.db2.gz WIFDJRJAMAEFGR-NRFANRHFSA-N 1 2 454.663 3.397 20 0 JGADLO CCC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1 ZINC001305265319 1068445570 /nfs/dbraw/zinc/44/55/70/1068445570.db2.gz MAZIPMJDCIFOOW-DHIUTWEWSA-N 1 2 482.673 3.453 20 0 JGADLO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001305272509 1068471605 /nfs/dbraw/zinc/47/16/05/1068471605.db2.gz XIPAMHSYPZGAAM-HXUWFJFHSA-N 1 2 465.577 3.012 20 0 JGADLO CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001305280511 1068483472 /nfs/dbraw/zinc/48/34/72/1068483472.db2.gz XTFRNIWNOIOTKZ-GOSISDBHSA-N 1 2 454.619 3.179 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001303853652 1068493618 /nfs/dbraw/zinc/49/36/18/1068493618.db2.gz RMGZXYGKOMFEOA-KRWDZBQOSA-N 1 2 475.594 3.032 20 0 JGADLO CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001305291405 1068494238 /nfs/dbraw/zinc/49/42/38/1068494238.db2.gz AGFWIZNRLVLFKS-QHCPKHFHSA-N 1 2 471.993 3.193 20 0 JGADLO CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001305294504 1068501035 /nfs/dbraw/zinc/50/10/35/1068501035.db2.gz BTHBHJPUEYMIDP-QFIPXVFZSA-N 1 2 489.418 3.487 20 0 JGADLO C[C@@H](O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC001303886778 1068523734 /nfs/dbraw/zinc/52/37/34/1068523734.db2.gz BOZSVJIMTMHMEX-NHCUHLMSSA-N 1 2 482.673 3.101 20 0 JGADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@H+]1CC=CCC1 ZINC001303887764 1068525897 /nfs/dbraw/zinc/52/58/97/1068525897.db2.gz MGDUPOHGWDDYFR-QYZOEREBSA-N 1 2 479.622 3.077 20 0 JGADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@@H+]1CC=CCC1 ZINC001303887764 1068525907 /nfs/dbraw/zinc/52/59/07/1068525907.db2.gz MGDUPOHGWDDYFR-QYZOEREBSA-N 1 2 479.622 3.077 20 0 JGADLO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cnccn1)[NH+]1CCOCC1 ZINC001303907012 1068553342 /nfs/dbraw/zinc/55/33/42/1068553342.db2.gz PVYGAUVDNLMMFG-MSOLQXFVSA-N 1 2 471.993 3.219 20 0 JGADLO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cnccn1)[NH+]1CCOCC1 ZINC001303907014 1068553390 /nfs/dbraw/zinc/55/33/90/1068553390.db2.gz PVYGAUVDNLMMFG-ROUUACIJSA-N 1 2 471.993 3.219 20 0 JGADLO CC[C@H](C)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)OC ZINC001305337702 1068570813 /nfs/dbraw/zinc/57/08/13/1068570813.db2.gz BLPYWUZIHLBOML-GHTZIAJQSA-N 1 2 477.053 3.453 20 0 JGADLO CC[C@@H](C)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)OC ZINC001305337716 1068570885 /nfs/dbraw/zinc/57/08/85/1068570885.db2.gz BLPYWUZIHLBOML-WIYYLYMNSA-N 1 2 477.053 3.453 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1(O)CCCCCC1 ZINC001303923588 1068577595 /nfs/dbraw/zinc/57/75/95/1068577595.db2.gz PTPKJRGDFGHJQU-HXUWFJFHSA-N 1 2 475.609 3.411 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCCNc1cccc[nH+]1 ZINC001303931978 1068590335 /nfs/dbraw/zinc/59/03/35/1068590335.db2.gz MMSCGQWVDJSNAS-MSOLQXFVSA-N 1 2 467.549 3.121 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001303932354 1068591411 /nfs/dbraw/zinc/59/14/11/1068591411.db2.gz RWYXEDGEZSRAKM-RBUKOAKNSA-N 1 2 493.649 3.445 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001303932354 1068591418 /nfs/dbraw/zinc/59/14/18/1068591418.db2.gz RWYXEDGEZSRAKM-RBUKOAKNSA-N 1 2 493.649 3.445 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2ccc(OC)c(O)c2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305379355 1068631743 /nfs/dbraw/zinc/63/17/43/1068631743.db2.gz DRDMWAPSINSJLL-SFHVURJKSA-N 1 2 466.586 3.422 20 0 JGADLO CC[C@H](C)c1nnc(N(C)CC(=O)Nc2ccc(C)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305378732 1068631819 /nfs/dbraw/zinc/63/18/19/1068631819.db2.gz WSJDFGCAAXVMNY-FQEVSTJZSA-N 1 2 477.613 3.455 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2ccc(Br)cc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305379558 1068632575 /nfs/dbraw/zinc/63/25/75/1068632575.db2.gz CUYJOMQUGOJTAO-KRWDZBQOSA-N 1 2 477.451 3.355 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305381126 1068633302 /nfs/dbraw/zinc/63/33/02/1068633302.db2.gz NKZRJSAGRMUTPI-HZPDHXFCSA-N 1 2 481.544 3.479 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CC[N@H+]1CCOC[C@H]1C ZINC001305381126 1068633307 /nfs/dbraw/zinc/63/33/07/1068633307.db2.gz NKZRJSAGRMUTPI-HZPDHXFCSA-N 1 2 481.544 3.479 20 0 JGADLO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cc(Cl)c(OC)c(OC)c1 ZINC001305400090 1068642703 /nfs/dbraw/zinc/64/27/03/1068642703.db2.gz VRIXEGHLDZDJQZ-INIZCTEOSA-N 1 2 451.999 3.279 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001305453320 1068690239 /nfs/dbraw/zinc/69/02/39/1068690239.db2.gz OUWYFLFETJGEFJ-MJGOQNOKSA-N 1 2 477.679 3.124 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001305453219 1068690296 /nfs/dbraw/zinc/69/02/96/1068690296.db2.gz OUWYFLFETJGEFJ-IEBWSBKVSA-N 1 2 477.679 3.124 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001305466126 1068709871 /nfs/dbraw/zinc/70/98/71/1068709871.db2.gz ITSTYPGEECARCU-KRWDZBQOSA-N 1 2 451.612 3.076 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305466126 1068709884 /nfs/dbraw/zinc/70/98/84/1068709884.db2.gz ITSTYPGEECARCU-KRWDZBQOSA-N 1 2 451.612 3.076 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001305485789 1068722259 /nfs/dbraw/zinc/72/22/59/1068722259.db2.gz ABAKEMOHXVYUEV-FHWLQOOXSA-N 1 2 451.637 3.481 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305487878 1068726024 /nfs/dbraw/zinc/72/60/24/1068726024.db2.gz OOWIFPNLNFGFPV-TZIWHRDSSA-N 1 2 489.690 3.085 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305499860 1068734986 /nfs/dbraw/zinc/73/49/86/1068734986.db2.gz FZDJQWWSTJZQSG-WOJBJXKFSA-N 1 2 472.609 3.004 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305499860 1068734993 /nfs/dbraw/zinc/73/49/93/1068734993.db2.gz FZDJQWWSTJZQSG-WOJBJXKFSA-N 1 2 472.609 3.004 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001305513224 1068757170 /nfs/dbraw/zinc/75/71/70/1068757170.db2.gz GIYPYDYLENBOIB-QUCCMNQESA-N 1 2 456.639 3.458 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001305514666 1068761329 /nfs/dbraw/zinc/76/13/29/1068761329.db2.gz IFLDFQZFNTVMEL-GMAHTHKFSA-N 1 2 497.688 3.495 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C)c(OC)c1 ZINC001305519208 1068769306 /nfs/dbraw/zinc/76/93/06/1068769306.db2.gz QIUIHMVLJPZLIO-PZJWPPBQSA-N 1 2 468.646 3.290 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC[C@@](C)(O)c1ccccc1 ZINC001305519921 1068770759 /nfs/dbraw/zinc/77/07/59/1068770759.db2.gz UQYVFFMGFRCALA-OREGWCPLSA-N 1 2 482.673 3.222 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC(C)(C)C(=O)NC ZINC001305527059 1068780588 /nfs/dbraw/zinc/78/05/88/1068780588.db2.gz BACUZEOSFCUZGE-QGZVFWFLSA-N 1 2 456.639 3.112 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@]1(C)COCCO1 ZINC001305529765 1068784839 /nfs/dbraw/zinc/78/48/39/1068784839.db2.gz VRDLOSVCIAXTKD-HOYKHHGWSA-N 1 2 457.623 3.146 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001305534271 1068793701 /nfs/dbraw/zinc/79/37/01/1068793701.db2.gz RBPRHQYPXTXXOT-FYSMJZIKSA-N 1 2 453.591 3.334 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1Cc1ccc(OC)c(OC)c1 ZINC001305536703 1068799535 /nfs/dbraw/zinc/79/95/35/1068799535.db2.gz GJFNTOYRQDEHDA-QGZVFWFLSA-N 1 2 454.575 3.476 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CCNC(=O)c1cccc(C)c1 ZINC001305538596 1068804910 /nfs/dbraw/zinc/80/49/10/1068804910.db2.gz NACSTMSQYWNWDZ-IBGZPJMESA-N 1 2 465.602 3.149 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1c(C)coc1C ZINC001305545766 1068824151 /nfs/dbraw/zinc/82/41/51/1068824151.db2.gz YOQRGHRXWCYIRL-UGKGYDQZSA-N 1 2 458.651 3.281 20 0 JGADLO CC[C@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305563918 1068840183 /nfs/dbraw/zinc/84/01/83/1068840183.db2.gz MPCTVRNDMBZZJY-PCCBWWKXSA-N 1 2 481.707 3.229 20 0 JGADLO CC[C@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305563918 1068840206 /nfs/dbraw/zinc/84/02/06/1068840206.db2.gz MPCTVRNDMBZZJY-PCCBWWKXSA-N 1 2 481.707 3.229 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305570266 1068845088 /nfs/dbraw/zinc/84/50/88/1068845088.db2.gz PHCFKKKVDSGEID-AZUAARDMSA-N 1 2 485.633 3.175 20 0 JGADLO CC[C@@H](C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001305576954 1068849305 /nfs/dbraw/zinc/84/93/05/1068849305.db2.gz LRDAHQNOEDAQGV-HXUWFJFHSA-N 1 2 477.613 3.288 20 0 JGADLO CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001305639044 1068953194 /nfs/dbraw/zinc/95/31/94/1068953194.db2.gz RCHRBJAFKBTFOH-UYAOXDASSA-N 1 2 475.037 3.062 20 0 JGADLO CC[C@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001305659348 1068999571 /nfs/dbraw/zinc/99/95/71/1068999571.db2.gz QONCQFWPIYMCQK-IRLDBZIGSA-N 1 2 494.606 3.473 20 0 JGADLO CC[C@@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1(C(=O)N(C)C)CCCC1)c1ccccc1 ZINC001305660005 1069000372 /nfs/dbraw/zinc/00/03/72/1069000372.db2.gz VSJPHXQGZLAYBK-HSZRJFAPSA-N 1 2 482.673 3.237 20 0 JGADLO CC[C@@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H]1CCCCS1(=O)=O)c1ccccc1 ZINC001305673471 1069024161 /nfs/dbraw/zinc/02/41/61/1069024161.db2.gz FAFBRLHNXLVKFA-FCHUYYIVSA-N 1 2 459.660 3.318 20 0 JGADLO CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC001305675135 1069027115 /nfs/dbraw/zinc/02/71/15/1069027115.db2.gz ANLKPRXBQXERBN-RZUBCFFCSA-N 1 2 459.660 3.175 20 0 JGADLO CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC001305675135 1069027125 /nfs/dbraw/zinc/02/71/25/1069027125.db2.gz ANLKPRXBQXERBN-RZUBCFFCSA-N 1 2 459.660 3.175 20 0 JGADLO CCC(CC)(Cn1c([C@@H]2CCCCO2)nnc1N(C)CC[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC001305696625 1069070904 /nfs/dbraw/zinc/07/09/04/1069070904.db2.gz VDAVXVSKMLQVBF-FQEVSTJZSA-N 1 2 494.681 3.372 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1CC[N@@H+]1CCOCC1(C)C ZINC001305723565 1069136824 /nfs/dbraw/zinc/13/68/24/1069136824.db2.gz PHLCWUBJVVWOQV-UHFFFAOYSA-N 1 2 478.588 3.222 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1CC[N@H+]1CCOCC1(C)C ZINC001305723565 1069136832 /nfs/dbraw/zinc/13/68/32/1069136832.db2.gz PHLCWUBJVVWOQV-UHFFFAOYSA-N 1 2 478.588 3.222 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2cnccn2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001305725035 1069140510 /nfs/dbraw/zinc/14/05/10/1069140510.db2.gz OWLDKYNSASUVMD-UHFFFAOYSA-N 1 2 491.644 3.447 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305738790 1069162853 /nfs/dbraw/zinc/16/28/53/1069162853.db2.gz MCXKIKZBKDYERP-DXIQSLLYSA-N 1 2 483.661 3.490 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001305739146 1069166381 /nfs/dbraw/zinc/16/63/81/1069166381.db2.gz FOHQLYOTBFVOLL-ZWKOTPCHSA-N 1 2 457.623 3.283 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001305739559 1069167668 /nfs/dbraw/zinc/16/76/68/1069167668.db2.gz ONDGYVZPISGGCH-JZXOWHBKSA-N 1 2 497.566 3.435 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(C)c3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305758453 1069217465 /nfs/dbraw/zinc/21/74/65/1069217465.db2.gz FLPSSHOLWDQSGH-UHFFFAOYSA-N 1 2 486.636 3.318 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(C)c3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305758453 1069217476 /nfs/dbraw/zinc/21/74/76/1069217476.db2.gz FLPSSHOLWDQSGH-UHFFFAOYSA-N 1 2 486.636 3.318 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(F)ccc(F)c3C2)n1Cc1c[nH+]ccc1OC ZINC001305759307 1069220513 /nfs/dbraw/zinc/22/05/13/1069220513.db2.gz MFGUWSBMGVPKGD-UHFFFAOYSA-N 1 2 470.524 3.489 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCCCC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001305773249 1069252710 /nfs/dbraw/zinc/25/27/10/1069252710.db2.gz MORCDDHXMQOXEX-QHCPKHFHSA-N 1 2 468.646 3.478 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCCCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001305773249 1069252715 /nfs/dbraw/zinc/25/27/15/1069252715.db2.gz MORCDDHXMQOXEX-QHCPKHFHSA-N 1 2 468.646 3.478 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](COC)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001305775858 1069258230 /nfs/dbraw/zinc/25/82/30/1069258230.db2.gz SKPOCGDEPYJMGA-NRFANRHFSA-N 1 2 483.661 3.493 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCO[C@@H](C)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001305777794 1069264048 /nfs/dbraw/zinc/26/40/48/1069264048.db2.gz RQRUOQTYCXGECI-SFHVURJKSA-N 1 2 451.575 3.046 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001305783696 1069278233 /nfs/dbraw/zinc/27/82/33/1069278233.db2.gz GBUQAISTXIAZDB-VQTJNVASSA-N 1 2 469.634 3.123 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001305783697 1069278313 /nfs/dbraw/zinc/27/83/13/1069278313.db2.gz GBUQAISTXIAZDB-WOJBJXKFSA-N 1 2 469.634 3.123 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC1(O)CCCCCC1 ZINC001305784758 1069281916 /nfs/dbraw/zinc/28/19/16/1069281916.db2.gz UQISPSOXTZYHEQ-UHFFFAOYSA-N 1 2 469.634 3.003 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(CC)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001305791709 1069304470 /nfs/dbraw/zinc/30/44/70/1069304470.db2.gz OXSVZCBEFOFCLX-RUZDIDTESA-N 1 2 469.634 3.245 20 0 JGADLO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164409868 718848158 /nfs/dbraw/zinc/84/81/58/718848158.db2.gz XNHPGSJLFTUCBS-QMMLZNLJSA-N 1 2 462.594 3.297 20 0 JGADLO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164409868 718848160 /nfs/dbraw/zinc/84/81/60/718848160.db2.gz XNHPGSJLFTUCBS-QMMLZNLJSA-N 1 2 462.594 3.297 20 0 JGADLO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164660577 719351568 /nfs/dbraw/zinc/35/15/68/719351568.db2.gz VMIKDZIIXGQIHG-UHFFFAOYSA-N 1 2 459.598 3.008 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3nc[nH]c3c(N(C)C)n1)CC2 ZINC001164659510 719351740 /nfs/dbraw/zinc/35/17/40/719351740.db2.gz PTDSLONTQBQRKN-UHFFFAOYSA-N 1 2 457.586 3.114 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3nc[nH]c3c(N(C)C)n1)CC2 ZINC001164659510 719351746 /nfs/dbraw/zinc/35/17/46/719351746.db2.gz PTDSLONTQBQRKN-UHFFFAOYSA-N 1 2 457.586 3.114 20 0 JGADLO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]cnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164658031 719351875 /nfs/dbraw/zinc/35/18/75/719351875.db2.gz BLKFQXQGLXGFQQ-UHFFFAOYSA-N 1 2 471.565 3.439 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(CN3C(=O)CCC3=O)cn1)CC2 ZINC001164658041 719351901 /nfs/dbraw/zinc/35/19/01/719351901.db2.gz BZDKWQZPQJZSOH-UHFFFAOYSA-N 1 2 484.604 3.425 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(CN3C(=O)CCC3=O)cn1)CC2 ZINC001164658041 719351902 /nfs/dbraw/zinc/35/19/02/719351902.db2.gz BZDKWQZPQJZSOH-UHFFFAOYSA-N 1 2 484.604 3.425 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(Cn3cncn3)cn1)CC2 ZINC001164658989 719353887 /nfs/dbraw/zinc/35/38/87/719353887.db2.gz OUOJGGRXDJACCV-UHFFFAOYSA-N 1 2 454.582 3.416 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(Cn3cncn3)cn1)CC2 ZINC001164658989 719353889 /nfs/dbraw/zinc/35/38/89/719353889.db2.gz OUOJGGRXDJACCV-UHFFFAOYSA-N 1 2 454.582 3.416 20 0 JGADLO CCNS(=O)(=O)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)nc1 ZINC001164659993 719354033 /nfs/dbraw/zinc/35/40/33/719354033.db2.gz UDEVTXKQEXDPBF-UHFFFAOYSA-N 1 2 480.638 3.075 20 0 JGADLO CCNS(=O)(=O)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)nc1 ZINC001164659993 719354035 /nfs/dbraw/zinc/35/40/35/719354035.db2.gz UDEVTXKQEXDPBF-UHFFFAOYSA-N 1 2 480.638 3.075 20 0 JGADLO COC(=O)c1cccc2nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)ncc21 ZINC001164674413 719501397 /nfs/dbraw/zinc/50/13/97/719501397.db2.gz WRWFKUJFTJLJBM-UHFFFAOYSA-N 1 2 450.514 3.427 20 0 JGADLO COC(=O)c1cccc2nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)ncc21 ZINC001164674413 719501405 /nfs/dbraw/zinc/50/14/05/719501405.db2.gz WRWFKUJFTJLJBM-UHFFFAOYSA-N 1 2 450.514 3.427 20 0 JGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc4ccccc4nc2N2CCOCC2)CC3)cc1 ZINC001164674537 719506793 /nfs/dbraw/zinc/50/67/93/719506793.db2.gz ZEZNPSWOONHODT-UHFFFAOYSA-N 1 2 477.584 3.477 20 0 JGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc4ccccc4nc2N2CCOCC2)CC3)cc1 ZINC001164674537 719506803 /nfs/dbraw/zinc/50/68/03/719506803.db2.gz ZEZNPSWOONHODT-UHFFFAOYSA-N 1 2 477.584 3.477 20 0 JGADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)cc1C(=O)OCC ZINC001164678480 719532819 /nfs/dbraw/zinc/53/28/19/719532819.db2.gz LJSXSBNCPVFQPZ-UHFFFAOYSA-N 1 2 485.556 3.446 20 0 JGADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)cc1C(=O)OCC ZINC001164678480 719532826 /nfs/dbraw/zinc/53/28/26/719532826.db2.gz LJSXSBNCPVFQPZ-UHFFFAOYSA-N 1 2 485.556 3.446 20 0 JGADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN([C@@H](F)Oc3cncc(Cl)n3)CC2)cc1 ZINC001164700032 719830695 /nfs/dbraw/zinc/83/06/95/719830695.db2.gz ZJGCRDJRPYQBBM-OAQYLSRUSA-N 1 2 456.909 3.162 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Oc2ccc(SC)cc2)ncn1 ZINC001164699264 719864108 /nfs/dbraw/zinc/86/41/08/719864108.db2.gz BJRCEHPUPLITKH-UZUQRXQVSA-N 1 2 458.584 3.224 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(F)ccc1Oc1ccc(Cl)nn1 ZINC001164707586 719867817 /nfs/dbraw/zinc/86/78/17/719867817.db2.gz TYQZHEKVMLJMNR-ZHRRBRCNSA-N 1 2 464.925 3.294 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(N3CCCCC3)cc2)nn1 ZINC001164707666 719875082 /nfs/dbraw/zinc/87/50/82/719875082.db2.gz UZFRFDDHMFSXAF-YIXXDRMTSA-N 1 2 479.625 3.367 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(OC)cc1 ZINC001164704878 719878500 /nfs/dbraw/zinc/87/85/00/719878500.db2.gz WVPDPWOHVBNFQL-HJPURHCSSA-N 1 2 476.961 3.164 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(OC)c1 ZINC001164697704 719878563 /nfs/dbraw/zinc/87/85/63/719878563.db2.gz DBMDUNGTEIENIJ-WAIKUNEKSA-N 1 2 476.961 3.164 20 0 JGADLO Cc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164708639 719935309 /nfs/dbraw/zinc/93/53/09/719935309.db2.gz NZHJQCHPNNULSI-UHFFFAOYSA-N 1 2 494.043 3.021 20 0 JGADLO CCc1ccc(Oc2nc(Cl)ncc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc1 ZINC001164708138 719936097 /nfs/dbraw/zinc/93/60/97/719936097.db2.gz FBRGBFRHVJNCJN-UHFFFAOYSA-N 1 2 496.015 3.169 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c(Cl)nc(Cl)c(Cl)c1Cl)CC2 ZINC001164703012 720047337 /nfs/dbraw/zinc/04/73/37/720047337.db2.gz IHBRLQZYTOAIQB-UHFFFAOYSA-N 1 2 478.211 3.379 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C2)C1 ZINC001164720489 720241494 /nfs/dbraw/zinc/24/14/94/720241494.db2.gz XKFFFPYGGWMQNZ-NRFANRHFSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C2)C1 ZINC001164720489 720241504 /nfs/dbraw/zinc/24/15/04/720241504.db2.gz XKFFFPYGGWMQNZ-NRFANRHFSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C2)C1 ZINC001164723888 720289835 /nfs/dbraw/zinc/28/98/35/720289835.db2.gz YPZKPAJGFQSTBM-JOCHJYFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C2)C1 ZINC001164723888 720289844 /nfs/dbraw/zinc/28/98/44/720289844.db2.gz YPZKPAJGFQSTBM-JOCHJYFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C2)C1 ZINC001164722371 720300581 /nfs/dbraw/zinc/30/05/81/720300581.db2.gz QHLJNCSVXOISTN-QFIPXVFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C2)C1 ZINC001164722371 720300590 /nfs/dbraw/zinc/30/05/90/720300590.db2.gz QHLJNCSVXOISTN-QFIPXVFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)C2)C1 ZINC001164721890 720309523 /nfs/dbraw/zinc/30/95/23/720309523.db2.gz IHBLTZPNNBNLIB-QFIPXVFZSA-N 1 2 497.949 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)C2)C1 ZINC001164721890 720309529 /nfs/dbraw/zinc/30/95/29/720309529.db2.gz IHBLTZPNNBNLIB-QFIPXVFZSA-N 1 2 497.949 3.146 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C2)C1 ZINC001164726465 720309631 /nfs/dbraw/zinc/30/96/31/720309631.db2.gz ZOCLSJHJTFADEO-OAQYLSRUSA-N 1 2 468.932 3.205 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C2)C1 ZINC001164726465 720309637 /nfs/dbraw/zinc/30/96/37/720309637.db2.gz ZOCLSJHJTFADEO-OAQYLSRUSA-N 1 2 468.932 3.205 20 0 JGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164721034 720317516 /nfs/dbraw/zinc/31/75/16/720317516.db2.gz CYHQXEOEXXJGEG-INIZCTEOSA-N 1 2 470.908 3.389 20 0 JGADLO COc1ccc2nc(Cl)nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2c1 ZINC001164826570 720358722 /nfs/dbraw/zinc/35/87/22/720358722.db2.gz XDJUHOBCWWSCQM-UHFFFAOYSA-N 1 2 487.029 3.370 20 0 JGADLO COc1ccc2nc(Cl)nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2c1 ZINC001164826570 720358728 /nfs/dbraw/zinc/35/87/28/720358728.db2.gz XDJUHOBCWWSCQM-UHFFFAOYSA-N 1 2 487.029 3.370 20 0 JGADLO COCc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc(-c2ccccc2)n1 ZINC001164825681 720360092 /nfs/dbraw/zinc/36/00/92/720360092.db2.gz TUIVQRDDBVJCQC-UHFFFAOYSA-N 1 2 492.649 3.368 20 0 JGADLO COCc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc(-c2ccccc2)n1 ZINC001164825681 720360098 /nfs/dbraw/zinc/36/00/98/720360098.db2.gz TUIVQRDDBVJCQC-UHFFFAOYSA-N 1 2 492.649 3.368 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5ccc(Cl)cc54)CC3)C2=O)cs1 ZINC001164825543 720363045 /nfs/dbraw/zinc/36/30/45/720363045.db2.gz QOMBLSUPTXLEOM-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5ccc(Cl)cc54)CC3)C2=O)cs1 ZINC001164825543 720363049 /nfs/dbraw/zinc/36/30/49/720363049.db2.gz QOMBLSUPTXLEOM-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164824883 720365454 /nfs/dbraw/zinc/36/54/54/720365454.db2.gz PGTPBBOPSNXGEU-UHFFFAOYSA-N 1 2 492.045 3.298 20 0 JGADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164824883 720365462 /nfs/dbraw/zinc/36/54/62/720365462.db2.gz PGTPBBOPSNXGEU-UHFFFAOYSA-N 1 2 492.045 3.298 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(-c5ccc(F)cc5)n4)CC3)C2=O)cs1 ZINC001164823139 720367916 /nfs/dbraw/zinc/36/79/16/720367916.db2.gz AZFXLFFBTBJZND-UHFFFAOYSA-N 1 2 466.586 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(-c5ccc(F)cc5)n4)CC3)C2=O)cs1 ZINC001164823139 720367929 /nfs/dbraw/zinc/36/79/29/720367929.db2.gz AZFXLFFBTBJZND-UHFFFAOYSA-N 1 2 466.586 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nncc5cc(Cl)ccc54)CC3)C2=O)cs1 ZINC001164819261 720371838 /nfs/dbraw/zinc/37/18/38/720371838.db2.gz AXZUUFMULQFXJC-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nncc5cc(Cl)ccc54)CC3)C2=O)cs1 ZINC001164819261 720371845 /nfs/dbraw/zinc/37/18/45/720371845.db2.gz AXZUUFMULQFXJC-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164819341 720374605 /nfs/dbraw/zinc/37/46/05/720374605.db2.gz DDZVZENHWUYPSK-UHFFFAOYSA-N 1 2 493.633 3.490 20 0 JGADLO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164819341 720374613 /nfs/dbraw/zinc/37/46/13/720374613.db2.gz DDZVZENHWUYPSK-UHFFFAOYSA-N 1 2 493.633 3.490 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5c(F)cccc5F)nn4)CC3)C2=O)cs1 ZINC001164822174 720381510 /nfs/dbraw/zinc/38/15/10/720381510.db2.gz KLEGBNASEXGVSM-UHFFFAOYSA-N 1 2 484.576 3.500 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5c(F)cccc5F)nn4)CC3)C2=O)cs1 ZINC001164822174 720381514 /nfs/dbraw/zinc/38/15/14/720381514.db2.gz KLEGBNASEXGVSM-UHFFFAOYSA-N 1 2 484.576 3.500 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(OCC5CCCC5)n4)CC3)C2=O)cs1 ZINC001164826826 720383831 /nfs/dbraw/zinc/38/38/31/720383831.db2.gz XSAJQLQYLSADID-UHFFFAOYSA-N 1 2 470.643 3.124 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(OCC5CCCC5)n4)CC3)C2=O)cs1 ZINC001164826826 720383840 /nfs/dbraw/zinc/38/38/40/720383840.db2.gz XSAJQLQYLSADID-UHFFFAOYSA-N 1 2 470.643 3.124 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5cc(C)c(C)cc54)CC3)C2=O)cs1 ZINC001164821869 720384216 /nfs/dbraw/zinc/38/42/16/720384216.db2.gz KKBLPNOMVOJHDF-UHFFFAOYSA-N 1 2 450.612 3.325 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5cc(C)c(C)cc54)CC3)C2=O)cs1 ZINC001164821869 720384224 /nfs/dbraw/zinc/38/42/24/720384224.db2.gz KKBLPNOMVOJHDF-UHFFFAOYSA-N 1 2 450.612 3.325 20 0 JGADLO C[Si](C)(C)c1ccc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1Cl ZINC001164830573 720397629 /nfs/dbraw/zinc/39/76/29/720397629.db2.gz SFQKQWAHRKPUOJ-UHFFFAOYSA-N 1 2 451.985 3.072 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc(Cl)nc1Cl)C2 ZINC001164827543 720432646 /nfs/dbraw/zinc/43/26/46/720432646.db2.gz SXDDZYVHASRGSM-CQSZACIVSA-N 1 2 476.355 3.119 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccnc(Cl)c1Cl)C2 ZINC001164825370 720434556 /nfs/dbraw/zinc/43/45/56/720434556.db2.gz RRWVFRZIGWBIAQ-CQSZACIVSA-N 1 2 476.355 3.119 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)cc1Cl)C2 ZINC001164821993 720435113 /nfs/dbraw/zinc/43/51/13/720435113.db2.gz BSLQZXBTJJQAGQ-AWEZNQCLSA-N 1 2 476.355 3.119 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3ccccc3c(-c3ccccc3)n1)C2 ZINC001164822692 720449869 /nfs/dbraw/zinc/44/98/69/720449869.db2.gz GHCAFSSIEHUEBS-QFIPXVFZSA-N 1 2 484.604 3.483 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3cccc(Cl)c31)C2 ZINC001164821960 720451184 /nfs/dbraw/zinc/45/11/84/720451184.db2.gz BHKOKDRUGBACIK-HNNXBMFYSA-N 1 2 477.396 3.123 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(F)cc3ccc(Cl)nc31)C2 ZINC001164825679 720452784 /nfs/dbraw/zinc/45/27/84/720452784.db2.gz UFWIHPIMOCOKMP-QGZVFWFLSA-N 1 2 459.953 3.213 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cc(Cl)c(Cl)cc31)C2 ZINC001164829771 720464327 /nfs/dbraw/zinc/46/43/27/720464327.db2.gz GYZKVGPQQAQDCR-HNNXBMFYSA-N 1 2 477.396 3.123 20 0 JGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164856006 720895430 /nfs/dbraw/zinc/89/54/30/720895430.db2.gz FQUVBXSFKVYBLM-UHFFFAOYSA-N 1 2 457.872 3.040 20 0 JGADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164874154 721218176 /nfs/dbraw/zinc/21/81/76/721218176.db2.gz SMKSYLRETVXMMN-UHFFFAOYSA-N 1 2 452.889 3.337 20 0 JGADLO CCS(=O)(=O)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)cnc1Cl ZINC001164766337 721278140 /nfs/dbraw/zinc/27/81/40/721278140.db2.gz DOZSRHXMAYFMEU-HNNXBMFYSA-N 1 2 497.955 3.380 20 0 JGADLO O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164895512 721488649 /nfs/dbraw/zinc/48/86/49/721488649.db2.gz LUBDWIZSRZIEPG-NRFANRHFSA-N 1 2 461.610 3.079 20 0 JGADLO O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164895512 721488652 /nfs/dbraw/zinc/48/86/52/721488652.db2.gz LUBDWIZSRZIEPG-NRFANRHFSA-N 1 2 461.610 3.079 20 0 JGADLO O=C(c1cccnc1N1CCn2cnc(COCC3CC3)c2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164803519 721599867 /nfs/dbraw/zinc/59/98/67/721599867.db2.gz VCXPJXCBWXFVHU-UHFFFAOYSA-N 1 2 486.620 3.183 20 0 JGADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001165015580 721766260 /nfs/dbraw/zinc/76/62/60/721766260.db2.gz RXXTUYNHAZJJAC-UHFFFAOYSA-N 1 2 485.926 3.356 20 0 JGADLO FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913582 721770403 /nfs/dbraw/zinc/77/04/03/721770403.db2.gz XWPJFPKYEAYNQP-IBGZPJMESA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913582 721770404 /nfs/dbraw/zinc/77/04/04/721770404.db2.gz XWPJFPKYEAYNQP-IBGZPJMESA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913035 721774169 /nfs/dbraw/zinc/77/41/69/721774169.db2.gz UCGXNPAJIZNABO-QFIPXVFZSA-N 1 2 475.927 3.331 20 0 JGADLO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913035 721774172 /nfs/dbraw/zinc/77/41/72/721774172.db2.gz UCGXNPAJIZNABO-QFIPXVFZSA-N 1 2 475.927 3.331 20 0 JGADLO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911680 721778050 /nfs/dbraw/zinc/77/80/50/721778050.db2.gz IDKRUYALWNCJFE-QFIPXVFZSA-N 1 2 475.927 3.331 20 0 JGADLO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911680 721778052 /nfs/dbraw/zinc/77/80/52/721778052.db2.gz IDKRUYALWNCJFE-QFIPXVFZSA-N 1 2 475.927 3.331 20 0 JGADLO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916036 721787838 /nfs/dbraw/zinc/78/78/38/721787838.db2.gz OCMUMICVVIMVIK-DEOSSOPVSA-N 1 2 474.989 3.193 20 0 JGADLO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916036 721787843 /nfs/dbraw/zinc/78/78/43/721787843.db2.gz OCMUMICVVIMVIK-DEOSSOPVSA-N 1 2 474.989 3.193 20 0 JGADLO Cc1cc2nc(Cl)c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2cc1C ZINC001164917735 721788485 /nfs/dbraw/zinc/78/84/85/721788485.db2.gz YZAOFKJMYSNQBO-DEOSSOPVSA-N 1 2 453.974 3.403 20 0 JGADLO Cc1cc2nc(Cl)c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2cc1C ZINC001164917735 721788486 /nfs/dbraw/zinc/78/84/86/721788486.db2.gz YZAOFKJMYSNQBO-DEOSSOPVSA-N 1 2 453.974 3.403 20 0 JGADLO COc1ccc(Oc2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc(C)n2)cc1 ZINC001164913167 721798910 /nfs/dbraw/zinc/79/89/10/721798910.db2.gz ACZVOXUENVBKFW-SANMLTNESA-N 1 2 477.565 3.089 20 0 JGADLO COc1ccc(Oc2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc(C)n2)cc1 ZINC001164913167 721798911 /nfs/dbraw/zinc/79/89/11/721798911.db2.gz ACZVOXUENVBKFW-SANMLTNESA-N 1 2 477.565 3.089 20 0 JGADLO FC(F)(N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2)C1(c2ccc(Cl)nc2)CC1 ZINC001164915275 721801375 /nfs/dbraw/zinc/80/13/75/721801375.db2.gz VGBQPZJTJDUMAV-OAQYLSRUSA-N 1 2 464.944 3.358 20 0 JGADLO FC(F)(N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2)C1(c2ccc(Cl)nc2)CC1 ZINC001164915275 721801376 /nfs/dbraw/zinc/80/13/76/721801376.db2.gz VGBQPZJTJDUMAV-OAQYLSRUSA-N 1 2 464.944 3.358 20 0 JGADLO CCOC(=O)c1c2ccccn2c2ncnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)c21 ZINC001164916575 721812165 /nfs/dbraw/zinc/81/21/65/721812165.db2.gz HWNDCLWYNSKYOE-UHFFFAOYSA-N 1 2 459.554 3.005 20 0 JGADLO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164918822 721817829 /nfs/dbraw/zinc/81/78/29/721817829.db2.gz VGIFYBYNJJDLKQ-NTMALXAHSA-N 1 2 480.613 3.198 20 0 JGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(NC(=O)OC(C)(C)C)c3nc[nH]c32)CC1 ZINC001164918965 721818489 /nfs/dbraw/zinc/81/84/89/721818489.db2.gz XTNVZDIUBFSDFU-UHFFFAOYSA-N 1 2 452.563 3.251 20 0 JGADLO CC(C)(C)C(=O)Nc1ccnc(N2CCN(CCOc3ccccc3)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165044012 721958126 /nfs/dbraw/zinc/95/81/26/721958126.db2.gz CAIYWZFKRVRATH-JOCHJYFZSA-N 1 2 495.668 3.081 20 0 JGADLO CC(C)(C)C(=O)Nc1ccnc(N2CCN(CCOc3ccccc3)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165044012 721958130 /nfs/dbraw/zinc/95/81/30/721958130.db2.gz CAIYWZFKRVRATH-JOCHJYFZSA-N 1 2 495.668 3.081 20 0 JGADLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164962732 722028178 /nfs/dbraw/zinc/02/81/78/722028178.db2.gz RPXOPRCQRDOXOC-VXNXHJTFSA-N 1 2 461.541 3.384 20 0 JGADLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164962732 722028179 /nfs/dbraw/zinc/02/81/79/722028179.db2.gz RPXOPRCQRDOXOC-VXNXHJTFSA-N 1 2 461.541 3.384 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973118 722148956 /nfs/dbraw/zinc/14/89/56/722148956.db2.gz AZAVDWAENJVERA-NFBKMPQASA-N 1 2 497.596 3.144 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973118 722148957 /nfs/dbraw/zinc/14/89/57/722148957.db2.gz AZAVDWAENJVERA-NFBKMPQASA-N 1 2 497.596 3.144 20 0 JGADLO O=C(c1ccco1)N1CCC[C@]2(C1)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CCO2 ZINC001164999765 722249133 /nfs/dbraw/zinc/24/91/33/722249133.db2.gz BPGLCKAXEJUZHK-HHHXNRCGSA-N 1 2 473.577 3.140 20 0 JGADLO O=C(c1ccco1)N1CCC[C@]2(C1)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CCO2 ZINC001164999765 722249135 /nfs/dbraw/zinc/24/91/35/722249135.db2.gz BPGLCKAXEJUZHK-HHHXNRCGSA-N 1 2 473.577 3.140 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305794799 1069313403 /nfs/dbraw/zinc/31/34/03/1069313403.db2.gz NCEYXKDBUISXOB-JOCHJYFZSA-N 1 2 495.603 3.423 20 0 JGADLO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1)Oc1cccc(F)c1 ZINC001305802330 1069325463 /nfs/dbraw/zinc/32/54/63/1069325463.db2.gz CTYDVVMZSWDAEY-FQEVSTJZSA-N 1 2 481.576 3.135 20 0 JGADLO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001305804253 1069328986 /nfs/dbraw/zinc/32/89/86/1069328986.db2.gz RCGNBEVHZRWNAP-NRFANRHFSA-N 1 2 463.586 3.294 20 0 JGADLO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001305811299 1069341332 /nfs/dbraw/zinc/34/13/32/1069341332.db2.gz PNGLVGGDARMKJH-QGZVFWFLSA-N 1 2 474.407 3.193 20 0 JGADLO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1)OC ZINC001305838950 1069383825 /nfs/dbraw/zinc/38/38/25/1069383825.db2.gz SCSRKNGODXTZNC-RTBURBONSA-N 1 2 464.010 3.061 20 0 JGADLO CC[C@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001305873793 1069427613 /nfs/dbraw/zinc/42/76/13/1069427613.db2.gz JEDCNUYACURKGJ-KKLQWCBXSA-N 1 2 463.623 3.249 20 0 JGADLO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccccc2)n1C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001298209321 1064127126 /nfs/dbraw/zinc/12/71/26/1064127126.db2.gz YDAMCOXTKJXFPO-FQEVSTJZSA-N 1 2 482.654 3.431 20 0 JGADLO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCCO2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001298212159 1064128562 /nfs/dbraw/zinc/12/85/62/1064128562.db2.gz NOLNKBHUDOYSIY-HXUWFJFHSA-N 1 2 469.634 3.304 20 0 JGADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1CCC(C)(C)O ZINC001298240406 1064145577 /nfs/dbraw/zinc/14/55/77/1064145577.db2.gz MQNHGOWUYUFEAC-IBGZPJMESA-N 1 2 458.632 3.016 20 0 JGADLO CN(Cc1cc(Cl)ccn1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001298262933 1064158203 /nfs/dbraw/zinc/15/82/03/1064158203.db2.gz XJKUEMLCSZGEEC-RTBURBONSA-N 1 2 489.958 3.495 20 0 JGADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001298277251 1064166662 /nfs/dbraw/zinc/16/66/62/1064166662.db2.gz ZREAJKRUUJQSKJ-SFHVURJKSA-N 1 2 452.580 3.231 20 0 JGADLO CN(Cc1cnccn1)c1nnc(-c2cccn2C)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001298410359 1064239956 /nfs/dbraw/zinc/23/99/56/1064239956.db2.gz KYFNSIDFLVRWAZ-FQEVSTJZSA-N 1 2 452.513 3.291 20 0 JGADLO CN(CC1COC(C)(C)OC1)c1nnc(C(C)(C)C)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001298582680 1064355494 /nfs/dbraw/zinc/35/54/94/1064355494.db2.gz CKPSAANRPANIOD-UHFFFAOYSA-N 1 2 484.689 3.229 20 0 JGADLO CN(CCc1ccc(Cl)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298612230 1064383564 /nfs/dbraw/zinc/38/35/64/1064383564.db2.gz KBNQPTMXULIKQE-UHFFFAOYSA-N 1 2 498.031 3.369 20 0 JGADLO CN(CCc1ccc(Cl)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298612230 1064383577 /nfs/dbraw/zinc/38/35/77/1064383577.db2.gz KBNQPTMXULIKQE-UHFFFAOYSA-N 1 2 498.031 3.369 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)c[nH]2)n1CC1CCCCC1 ZINC001298733769 1064549070 /nfs/dbraw/zinc/54/90/70/1064549070.db2.gz SKHPNXZUPUMLEU-UHFFFAOYSA-N 1 2 451.413 3.384 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2F)n1CCC(=O)N1CCCCCC1 ZINC001298736877 1064551462 /nfs/dbraw/zinc/55/14/62/1064551462.db2.gz LQFBCZZEPYBMNT-UHFFFAOYSA-N 1 2 493.027 3.299 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCC(=O)NC1CC1 ZINC001298736854 1064551620 /nfs/dbraw/zinc/55/16/20/1064551620.db2.gz LEDRIHYUMMFDNO-UHFFFAOYSA-N 1 2 481.428 3.079 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@](C)(O)c1cccs1 ZINC001298737195 1064552479 /nfs/dbraw/zinc/55/24/79/1064552479.db2.gz QIIRVZBVRAKJFY-JOCHJYFZSA-N 1 2 480.009 3.475 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(C2CCC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001298737865 1064552735 /nfs/dbraw/zinc/55/27/35/1064552735.db2.gz FLRUIGYCHNJWIE-OAQYLSRUSA-N 1 2 476.666 3.494 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1CC1CCC(C(F)(F)F)CC1 ZINC001298737925 1064553142 /nfs/dbraw/zinc/55/31/42/1064553142.db2.gz ZIYGNCOUDDRTGX-UHFFFAOYSA-N 1 2 454.541 3.421 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccncc2)n1Cc1ccc(OCC(F)(F)F)cc1 ZINC001298739087 1064554136 /nfs/dbraw/zinc/55/41/36/1064554136.db2.gz YAXFHINPSTYRNJ-UHFFFAOYSA-N 1 2 490.530 3.022 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccc(Cl)cc2)n1CCCOC(F)(F)F ZINC001298739047 1064554429 /nfs/dbraw/zinc/55/44/29/1064554429.db2.gz WYINIVHBCGQRRB-UHFFFAOYSA-N 1 2 461.916 3.217 20 0 JGADLO Cn1cc(-c2nnc(N3CCC([C@](C)(O)C(F)(F)F)CC3)n2CCCNc2cccc[nH+]2)cn1 ZINC001298808388 1064609352 /nfs/dbraw/zinc/60/93/52/1064609352.db2.gz LLBNDGSAPPZZSU-NRFANRHFSA-N 1 2 478.523 3.106 20 0 JGADLO O=C(Cc1csc(-c2cccc(Br)c2)n1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001298869971 1064673399 /nfs/dbraw/zinc/67/33/99/1064673399.db2.gz SGEOVZWAVVAVNA-SFHVURJKSA-N 1 2 450.402 3.438 20 0 JGADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CNc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001298909115 1064711380 /nfs/dbraw/zinc/71/13/80/1064711380.db2.gz PSRHANXNVKFUAX-GOSISDBHSA-N 1 2 456.509 3.271 20 0 JGADLO CC[C@H]1CCc2[nH]c(=O)c(C(=O)N3CC[NH+]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)cc2C1 ZINC001298909693 1064712118 /nfs/dbraw/zinc/71/21/18/1064712118.db2.gz SHRSIDKWXFXNMJ-PKOBYXMFSA-N 1 2 458.603 3.069 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCc1cccc(C)[nH+]1 ZINC001298954803 1064746525 /nfs/dbraw/zinc/74/65/25/1064746525.db2.gz GFUWIGSETYDSQQ-SFHVURJKSA-N 1 2 472.597 3.490 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(CC2CCCC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001298991615 1064774768 /nfs/dbraw/zinc/77/47/68/1064774768.db2.gz BUAOLSASUTUJIJ-URXFXBBRSA-N 1 2 482.673 3.211 20 0 JGADLO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001299086851 1064893071 /nfs/dbraw/zinc/89/30/71/1064893071.db2.gz MIXKGAIAEQQLHC-FXAWDEMLSA-N 1 2 488.608 3.474 20 0 JGADLO CO[C@]1(C)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001299749573 1064948830 /nfs/dbraw/zinc/94/88/30/1064948830.db2.gz KYJCFVPXGAVXMP-GBXCKJPGSA-N 1 2 487.626 3.250 20 0 JGADLO COc1cc(CN(C)c2nnc(C3CC3)n2CC[N@@H+]2CCOC[C@H]2C)ccc1OC(F)F ZINC001299871356 1065089507 /nfs/dbraw/zinc/08/95/07/1065089507.db2.gz JPWVJFJWQPPIKC-OAHLLOKOSA-N 1 2 451.518 3.123 20 0 JGADLO COc1cc(CN(C)c2nnc(C3CC3)n2CC[N@H+]2CCOC[C@H]2C)ccc1OC(F)F ZINC001299871356 1065089519 /nfs/dbraw/zinc/08/95/19/1065089519.db2.gz JPWVJFJWQPPIKC-OAHLLOKOSA-N 1 2 451.518 3.123 20 0 JGADLO COc1ccc(Br)c(CN(C)c2nnc(C)n2Cc2ccc[nH+]c2N2CCOCC2)c1 ZINC001299975059 1065267933 /nfs/dbraw/zinc/26/79/33/1065267933.db2.gz GZFWXBVHAAJMPG-UHFFFAOYSA-N 1 2 487.402 3.274 20 0 JGADLO COc1ccc([C@@H](C)N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001299987046 1065289240 /nfs/dbraw/zinc/28/92/40/1065289240.db2.gz OKYDSWAEBVSOKV-UYAOXDASSA-N 1 2 484.626 3.283 20 0 JGADLO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(CC3CC3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001299990250 1065293745 /nfs/dbraw/zinc/29/37/45/1065293745.db2.gz FTDDBQSBOZRFBH-MGBGTMOVSA-N 1 2 473.687 3.417 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@H+]2CCOC[C@H]2C)cc1C ZINC001492332357 1065402784 /nfs/dbraw/zinc/40/27/84/1065402784.db2.gz YFDHERZFTSQWIZ-GGAORHGYSA-N 1 2 457.619 3.200 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@@H+]2CCOC[C@H]2C)cc1C ZINC001492332357 1065402791 /nfs/dbraw/zinc/40/27/91/1065402791.db2.gz YFDHERZFTSQWIZ-GGAORHGYSA-N 1 2 457.619 3.200 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001492371363 1065435028 /nfs/dbraw/zinc/43/50/28/1065435028.db2.gz PQQCNTZCLGIKIK-VXKWHMMOSA-N 1 2 498.672 3.017 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001492371363 1065435040 /nfs/dbraw/zinc/43/50/40/1065435040.db2.gz PQQCNTZCLGIKIK-VXKWHMMOSA-N 1 2 498.672 3.017 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCS[C@@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001492400992 1065469940 /nfs/dbraw/zinc/46/99/40/1065469940.db2.gz HDIFSFIRFMYTIK-FQEVSTJZSA-N 1 2 458.676 3.133 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCS[C@@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001492400992 1065469944 /nfs/dbraw/zinc/46/99/44/1065469944.db2.gz HDIFSFIRFMYTIK-FQEVSTJZSA-N 1 2 458.676 3.133 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001492448896 1065501520 /nfs/dbraw/zinc/50/15/20/1065501520.db2.gz LOKMNHNCAYIDKP-FQEVSTJZSA-N 1 2 489.686 3.435 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CSCCS2)cc1 ZINC001492448729 1065501754 /nfs/dbraw/zinc/50/17/54/1065501754.db2.gz HFPBZEQSAPLURB-FQEVSTJZSA-N 1 2 479.741 3.496 20 0 JGADLO COCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001300931921 1065731517 /nfs/dbraw/zinc/73/15/17/1065731517.db2.gz DMAKWZUPDBUYEB-UHFFFAOYSA-N 1 2 484.601 3.254 20 0 JGADLO COC[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001300958133 1065764574 /nfs/dbraw/zinc/76/45/74/1065764574.db2.gz UELLYCMYPJUBRB-MRXNPFEDSA-N 1 2 473.528 3.254 20 0 JGADLO COC[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001300966275 1065775325 /nfs/dbraw/zinc/77/53/25/1065775325.db2.gz MINYGNVGNWLZEV-GOSISDBHSA-N 1 2 456.566 3.036 20 0 JGADLO COC[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001300969531 1065778464 /nfs/dbraw/zinc/77/84/64/1065778464.db2.gz WLVKUKZYIMVMRI-IAGOWNOFSA-N 1 2 459.545 3.123 20 0 JGADLO COC[C@@H](F)Cn1c(-c2ccccc2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001301053441 1065902870 /nfs/dbraw/zinc/90/28/70/1065902870.db2.gz KMWGBGQNZSFNEI-FQEVSTJZSA-N 1 2 453.566 3.478 20 0 JGADLO COCC1(C)CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC1 ZINC001301076396 1065925952 /nfs/dbraw/zinc/92/59/52/1065925952.db2.gz BSLDFMGIHCGGQD-OALUTQOASA-N 1 2 492.665 3.343 20 0 JGADLO COCC1(C)CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC1 ZINC001301076396 1065925958 /nfs/dbraw/zinc/92/59/58/1065925958.db2.gz BSLDFMGIHCGGQD-OALUTQOASA-N 1 2 492.665 3.343 20 0 JGADLO COC[C@@H](F)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001301079693 1065929653 /nfs/dbraw/zinc/92/96/53/1065929653.db2.gz XAGRFGONZGARSS-FQEVSTJZSA-N 1 2 472.565 3.077 20 0 JGADLO COC[C@H](F)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001301084378 1065935719 /nfs/dbraw/zinc/93/57/19/1065935719.db2.gz UYCKTDMILQQFCG-HXUWFJFHSA-N 1 2 454.550 3.180 20 0 JGADLO COCC1=CCN(c2nnc(-c3cnccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001301191203 1066019992 /nfs/dbraw/zinc/01/99/92/1066019992.db2.gz XXNWIGVIZDMINC-HXUWFJFHSA-N 1 2 455.513 3.099 20 0 JGADLO COC[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001301264046 1066079494 /nfs/dbraw/zinc/07/94/94/1066079494.db2.gz FGBBCJXOQWHSLJ-WIYYLYMNSA-N 1 2 487.626 3.107 20 0 JGADLO COC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001301360929 1066154221 /nfs/dbraw/zinc/15/42/21/1066154221.db2.gz NCEBRCKGGCBLIM-LJQANCHMSA-N 1 2 487.402 3.456 20 0 JGADLO COC[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001301408862 1066193397 /nfs/dbraw/zinc/19/33/97/1066193397.db2.gz AYHKHOQWVVTPHU-LJQANCHMSA-N 1 2 496.077 3.186 20 0 JGADLO COC[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001301408862 1066193405 /nfs/dbraw/zinc/19/34/05/1066193405.db2.gz AYHKHOQWVVTPHU-LJQANCHMSA-N 1 2 496.077 3.186 20 0 JGADLO CC(=O)NCCN(Cc1ccsc1)c1nnc(C)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001301948225 1066240890 /nfs/dbraw/zinc/24/08/90/1066240890.db2.gz GCTAUNTZYXLXTP-DEOSSOPVSA-N 1 2 482.654 3.173 20 0 JGADLO COCCO[C@@H](C)c1nnc(N(C)[C@H]2CCc3ccccc32)n1CC[N@@H+]1CCOCC1(C)C ZINC001301971789 1066278690 /nfs/dbraw/zinc/27/86/90/1066278690.db2.gz WBVYLZAGOLZLMM-UGKGYDQZSA-N 1 2 457.619 3.237 20 0 JGADLO COCCO[C@@H](C)c1nnc(N(C)[C@H]2CCc3ccccc32)n1CC[N@H+]1CCOCC1(C)C ZINC001301971789 1066278696 /nfs/dbraw/zinc/27/86/96/1066278696.db2.gz WBVYLZAGOLZLMM-UGKGYDQZSA-N 1 2 457.619 3.237 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001301984476 1066294592 /nfs/dbraw/zinc/29/45/92/1066294592.db2.gz PKPSDUWMOKKPDI-GBAAUQCPSA-N 1 2 471.646 3.476 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001301991564 1066311667 /nfs/dbraw/zinc/31/16/67/1066311667.db2.gz UVVSDSNAEFSVHU-MQSCRBSSSA-N 1 2 487.645 3.079 20 0 JGADLO COCCc1noc(CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC001301495370 1066320055 /nfs/dbraw/zinc/32/00/55/1066320055.db2.gz BEALVCDZUOCHEL-UHFFFAOYSA-N 1 2 468.606 3.218 20 0 JGADLO COCC[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301505557 1066333230 /nfs/dbraw/zinc/33/32/30/1066333230.db2.gz PMJDOGJAOUHBRF-HOTGVXAUSA-N 1 2 484.464 3.353 20 0 JGADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001301547760 1066376876 /nfs/dbraw/zinc/37/68/76/1066376876.db2.gz PXERJYQTFKFWBC-IBGZPJMESA-N 1 2 452.312 3.256 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC(OC(C)C)CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001302030902 1066396118 /nfs/dbraw/zinc/39/61/18/1066396118.db2.gz ZABUBGUQCZCYDZ-UXHICEINSA-N 1 2 460.623 3.478 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCc1nc(C)c(C)s1 ZINC001302040581 1066413517 /nfs/dbraw/zinc/41/35/17/1066413517.db2.gz CCEOJXKFPNEWCW-KRWDZBQOSA-N 1 2 485.658 3.342 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(OC)CC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001302054142 1066445928 /nfs/dbraw/zinc/44/59/28/1066445928.db2.gz SNEVNSFNIWTCDE-CPJSRVTESA-N 1 2 472.634 3.441 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCCO[C@@H](C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302070602 1066476260 /nfs/dbraw/zinc/47/62/60/1066476260.db2.gz BOQDVAHOSWRUAA-SFTDATJTSA-N 1 2 472.634 3.441 20 0 JGADLO CC(=O)c1ccc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)[NH+]3CCOCC3)CC2)c(F)c1 ZINC001301628723 1066488026 /nfs/dbraw/zinc/48/80/26/1066488026.db2.gz VDKMFJZEBCOQTP-IBGZPJMESA-N 1 2 486.636 3.256 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1Cc1ccc(Cl)cc1 ZINC001302090372 1066517246 /nfs/dbraw/zinc/51/72/46/1066517246.db2.gz UXVICCBSSHUXNG-SFHVURJKSA-N 1 2 474.993 3.322 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001302090458 1066517606 /nfs/dbraw/zinc/51/76/06/1066517606.db2.gz VJZMXJUMDFJHKA-ZWKOTPCHSA-N 1 2 468.549 3.056 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1Cc1ccc(C)nc1 ZINC001302090772 1066518242 /nfs/dbraw/zinc/51/82/42/1066518242.db2.gz XQQOCAFVVKYPJQ-HXUWFJFHSA-N 1 2 468.577 3.215 20 0 JGADLO COCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001301657162 1066526337 /nfs/dbraw/zinc/52/63/37/1066526337.db2.gz GSHNROWJDWYYRR-OAQYLSRUSA-N 1 2 486.686 3.048 20 0 JGADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2[C@H]2C[C@H]2C)CC1 ZINC001301659564 1066528462 /nfs/dbraw/zinc/52/84/62/1066528462.db2.gz LSPBVJIEQAPWLL-QTEQDKRBSA-N 1 2 482.673 3.487 20 0 JGADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CC=CCC2)CC1 ZINC001301662673 1066534691 /nfs/dbraw/zinc/53/46/91/1066534691.db2.gz YPEAVKGIFQEOPY-DHIUTWEWSA-N 1 2 480.657 3.273 20 0 JGADLO O=C(COc1cccc(I)c1)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001301663140 1066535651 /nfs/dbraw/zinc/53/56/51/1066535651.db2.gz SXNDWNQXXVGRSQ-QGZVFWFLSA-N 1 2 456.711 3.497 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCSC(C)(C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001302106974 1066542714 /nfs/dbraw/zinc/54/27/14/1066542714.db2.gz YRNASRDHAYPVGJ-RTBURBONSA-N 1 2 490.674 3.002 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302109615 1066548014 /nfs/dbraw/zinc/54/80/14/1066548014.db2.gz AQWIXCPTIZWLCN-GNXKAVGDSA-N 1 2 489.686 3.406 20 0 JGADLO CC(=O)N1CCC(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cnc(C)s3)CC2)CC1 ZINC001301675311 1066556039 /nfs/dbraw/zinc/55/60/39/1066556039.db2.gz VLAFHFZGBTZZPM-UHFFFAOYSA-N 1 2 473.691 3.212 20 0 JGADLO COCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001301692110 1066579881 /nfs/dbraw/zinc/57/98/81/1066579881.db2.gz VDWAUXIGQZHNTG-FQEVSTJZSA-N 1 2 456.978 3.150 20 0 JGADLO CC(=O)N1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001301704820 1066594286 /nfs/dbraw/zinc/59/42/86/1066594286.db2.gz WOMOKISTNFGINZ-SFHVURJKSA-N 1 2 493.077 3.003 20 0 JGADLO CC(=O)N1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001301704820 1066594290 /nfs/dbraw/zinc/59/42/90/1066594290.db2.gz WOMOKISTNFGINZ-SFHVURJKSA-N 1 2 493.077 3.003 20 0 JGADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCOCCCNC(=O)OC(C)(C)C)c2C1 ZINC001302147270 1066596645 /nfs/dbraw/zinc/59/66/45/1066596645.db2.gz PRMBRQZOMGEIQN-UHFFFAOYSA-N 1 2 456.587 3.274 20 0 JGADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCOCCCNC(=O)OC(C)(C)C)c2C1 ZINC001302147270 1066596649 /nfs/dbraw/zinc/59/66/49/1066596649.db2.gz PRMBRQZOMGEIQN-UHFFFAOYSA-N 1 2 456.587 3.274 20 0 JGADLO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC001301714098 1066615017 /nfs/dbraw/zinc/61/50/17/1066615017.db2.gz UWFGVIRDHLLEEG-IFMALSPDSA-N 1 2 498.672 3.203 20 0 JGADLO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCCS(=O)(=O)c2ccccc2)CC1 ZINC001302201705 1066696638 /nfs/dbraw/zinc/69/66/38/1066696638.db2.gz ANZYNVDOPMMZCM-UHFFFAOYSA-N 1 2 482.654 3.048 20 0 JGADLO CC(C)(C)[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001302202266 1066697911 /nfs/dbraw/zinc/69/79/11/1066697911.db2.gz HBXOAOKBKRBWFC-UHFFFAOYSA-N 1 2 473.687 3.341 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N(C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC001301762729 1066701456 /nfs/dbraw/zinc/70/14/56/1066701456.db2.gz APHXRHKGIZWUFY-QGZVFWFLSA-N 1 2 472.540 3.486 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001301763360 1066703236 /nfs/dbraw/zinc/70/32/36/1066703236.db2.gz FIXINMMMRPTRRT-RBBKRZOGSA-N 1 2 498.672 3.203 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2ccsc2)CC1 ZINC001301764786 1066706135 /nfs/dbraw/zinc/70/61/35/1066706135.db2.gz SVBOLYMHXXYDTA-GOSISDBHSA-N 1 2 486.617 3.419 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001301765793 1066706604 /nfs/dbraw/zinc/70/66/04/1066706604.db2.gz YYNLKMYHNNIUCF-WMZHIEFXSA-N 1 2 472.609 3.346 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3C)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001301770993 1066714022 /nfs/dbraw/zinc/71/40/22/1066714022.db2.gz RJMDJRVMAJSWKU-UHFFFAOYSA-N 1 2 478.563 3.120 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCc3ccc(Cl)cc3C2)CC1 ZINC001301770990 1066714055 /nfs/dbraw/zinc/71/40/55/1066714055.db2.gz RGAZALBSNGPJNT-UHFFFAOYSA-N 1 2 459.038 3.247 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC3CCCC3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001301771943 1066715419 /nfs/dbraw/zinc/71/54/19/1066715419.db2.gz XWAPRHNWBDEBPA-UHFFFAOYSA-N 1 2 470.584 3.344 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3cccc(C)c3)nnc2N(C)Cc2cc(Cl)ccn2)CC1 ZINC001301774143 1066719485 /nfs/dbraw/zinc/71/94/85/1066719485.db2.gz AXOWRUOTNUMUOX-UHFFFAOYSA-N 1 2 498.031 3.014 20 0 JGADLO CC(C)(C)OC(=O)COCC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001302218933 1066720438 /nfs/dbraw/zinc/72/04/38/1066720438.db2.gz YKDBZDYDMTZZIP-UHFFFAOYSA-N 1 2 454.567 3.268 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)ccc3C)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001301774987 1066720528 /nfs/dbraw/zinc/72/05/28/1066720528.db2.gz KUQMCHFXNXELDJ-UHFFFAOYSA-N 1 2 480.613 3.176 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001301775525 1066721231 /nfs/dbraw/zinc/72/12/31/1066721231.db2.gz QTYZZZKOOZVQIK-IAGOWNOFSA-N 1 2 495.455 3.420 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001301775527 1066721325 /nfs/dbraw/zinc/72/13/25/1066721325.db2.gz QTYZZZKOOZVQIK-IRXDYDNUSA-N 1 2 495.455 3.420 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CC(C)C)C(C)C)CC1 ZINC001301775069 1066721400 /nfs/dbraw/zinc/72/14/00/1066721400.db2.gz MRGVDPBOKXYMTC-FGZHOGPDSA-N 1 2 462.683 3.232 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(N(C)CCC(C)C)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001301776160 1066721694 /nfs/dbraw/zinc/72/16/94/1066721694.db2.gz WOYDSSKNNHFKMH-UHFFFAOYSA-N 1 2 452.647 3.395 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001301775706 1066721879 /nfs/dbraw/zinc/72/18/79/1066721879.db2.gz SDKIZIYOJZNWRG-UNMCSNQZSA-N 1 2 468.646 3.120 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCc2cccs2)CC1 ZINC001301776500 1066722896 /nfs/dbraw/zinc/72/28/96/1066722896.db2.gz ZOFASCIXKIYAQR-UHFFFAOYSA-N 1 2 496.681 3.378 20 0 JGADLO O=C(Nc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)c(O)c1)c1cc(F)cc(F)c1 ZINC001301801236 1066752644 /nfs/dbraw/zinc/75/26/44/1066752644.db2.gz COWCBEXTOWVZQI-OAQYLSRUSA-N 1 2 453.445 3.415 20 0 JGADLO CC(=O)NC1CCC(N(C)c2nnc(CC(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC001301808858 1066763724 /nfs/dbraw/zinc/76/37/24/1066763724.db2.gz RRSZTKHXLMJQGQ-STEQJIOHSA-N 1 2 482.673 3.434 20 0 JGADLO COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001301825783 1066788305 /nfs/dbraw/zinc/78/83/05/1066788305.db2.gz CCAOKTKVKVADMD-GOSISDBHSA-N 1 2 495.441 3.098 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001301863428 1066851415 /nfs/dbraw/zinc/85/14/15/1066851415.db2.gz HVJQSGVIDISDOT-FQEVSTJZSA-N 1 2 453.635 3.263 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001302296130 1066877323 /nfs/dbraw/zinc/87/73/23/1066877323.db2.gz OTPNLWHNRISZQV-WWNPGLIZSA-N 1 2 484.645 3.079 20 0 JGADLO COc1cccc(C[NH+]2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)c1 ZINC001301876285 1066877339 /nfs/dbraw/zinc/87/73/39/1066877339.db2.gz IVVVLXWXNQMAPK-AREMUKBSSA-N 1 2 457.574 3.381 20 0 JGADLO CON(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001302359562 1066951037 /nfs/dbraw/zinc/95/10/37/1066951037.db2.gz FSBOIHFEXMAMBI-FGZHOGPDSA-N 1 2 456.635 3.012 20 0 JGADLO CON(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302359591 1066951073 /nfs/dbraw/zinc/95/10/73/1066951073.db2.gz HCNRXMLVBCVYKR-HBMCJLEFSA-N 1 2 486.617 3.120 20 0 JGADLO CC(C)C(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001302403746 1066984419 /nfs/dbraw/zinc/98/44/19/1066984419.db2.gz OKQXUGIKQRMMIS-WOJBJXKFSA-N 1 2 476.572 3.015 20 0 JGADLO CC(C)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001302403720 1066984481 /nfs/dbraw/zinc/98/44/81/1066984481.db2.gz IVCMQANRFSHMNC-JOCHJYFZSA-N 1 2 497.594 3.150 20 0 JGADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(CC(C)(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001301941461 1066989603 /nfs/dbraw/zinc/98/96/03/1066989603.db2.gz PXSCJCZAMJTWRS-SFHVURJKSA-N 1 2 476.691 3.100 20 0 JGADLO CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302452008 1067053746 /nfs/dbraw/zinc/05/37/46/1067053746.db2.gz QMTWFXVUHZHFLK-UHFFFAOYSA-N 1 2 498.031 3.087 20 0 JGADLO O=C(Nc1ccc(O)c(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c1)OCC(F)(F)F ZINC001302454575 1067056192 /nfs/dbraw/zinc/05/61/92/1067056192.db2.gz QPQZAGVQAQVUAF-UHFFFAOYSA-N 1 2 453.417 3.167 20 0 JGADLO Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)c1C ZINC001304013911 1067057489 /nfs/dbraw/zinc/05/74/89/1067057489.db2.gz OIMRXAWQYAKEIT-UHFFFAOYSA-N 1 2 491.640 3.448 20 0 JGADLO Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@H]2C)cnn1C ZINC001304016522 1067060262 /nfs/dbraw/zinc/06/02/62/1067060262.db2.gz XZSDZYPPMMCQJW-KNQAVFIVSA-N 1 2 481.645 3.434 20 0 JGADLO Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@H]2C)cnn1C ZINC001304016522 1067060279 /nfs/dbraw/zinc/06/02/79/1067060279.db2.gz XZSDZYPPMMCQJW-KNQAVFIVSA-N 1 2 481.645 3.434 20 0 JGADLO CC(C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001302468358 1067071482 /nfs/dbraw/zinc/07/14/82/1067071482.db2.gz CZHFFNBYYLSRFQ-UHFFFAOYSA-N 1 2 482.032 3.012 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H](C)[NH+]2CCOCC2)c1C ZINC001304027101 1067074439 /nfs/dbraw/zinc/07/44/39/1067074439.db2.gz XJJSDBMGEHYAKU-GMAHTHKFSA-N 1 2 498.672 3.060 20 0 JGADLO CC1=C(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001304029838 1067077930 /nfs/dbraw/zinc/07/79/30/1067077930.db2.gz YRIMUPUBERBHJR-HXUWFJFHSA-N 1 2 487.674 3.259 20 0 JGADLO CC(C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001302492738 1067092673 /nfs/dbraw/zinc/09/26/73/1067092673.db2.gz OBZYSEYHCZBSSM-QHCPKHFHSA-N 1 2 458.010 3.061 20 0 JGADLO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001302511487 1067122259 /nfs/dbraw/zinc/12/22/59/1067122259.db2.gz TUDQHBBGHLPDGF-HXUWFJFHSA-N 1 2 490.656 3.150 20 0 JGADLO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1cccs1)[NH+]1CCOCC1 ZINC001302511736 1067123046 /nfs/dbraw/zinc/12/30/46/1067123046.db2.gz WLWGMBJBNNJVTJ-MOPGFXCFSA-N 1 2 460.648 3.130 20 0 JGADLO CSC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001302533251 1067162332 /nfs/dbraw/zinc/16/23/32/1067162332.db2.gz IABJZMDFNKESSS-UHFFFAOYSA-N 1 2 486.690 3.091 20 0 JGADLO CC(C)c1ncc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)cn1 ZINC001302553531 1067191708 /nfs/dbraw/zinc/19/17/08/1067191708.db2.gz FBEZYJFIIAINGS-IBGZPJMESA-N 1 2 467.593 3.279 20 0 JGADLO CS[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001302558630 1067199199 /nfs/dbraw/zinc/19/91/99/1067199199.db2.gz PUMCXZGMTLMUKE-ROUUACIJSA-N 1 2 492.640 3.032 20 0 JGADLO CS[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001302560228 1067201191 /nfs/dbraw/zinc/20/11/91/1067201191.db2.gz BZWFXQUHMWHYJC-RTWAWAEBSA-N 1 2 470.687 3.062 20 0 JGADLO CC(C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001302570622 1067209762 /nfs/dbraw/zinc/20/97/62/1067209762.db2.gz KZDIGWWAQSJSJX-UHFFFAOYSA-N 1 2 462.639 3.102 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccc(Cl)nc2)c1 ZINC001304168378 1067215252 /nfs/dbraw/zinc/21/52/52/1067215252.db2.gz GJFGERJPJSNDIE-UHFFFAOYSA-N 1 2 471.005 3.339 20 0 JGADLO CS[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)C(C)(C)C ZINC001302577682 1067215713 /nfs/dbraw/zinc/21/57/13/1067215713.db2.gz KEHYFQDWJMOHAW-RBBKRZOGSA-N 1 2 489.734 3.282 20 0 JGADLO Cc1nc(C)c(Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304169208 1067216611 /nfs/dbraw/zinc/21/66/11/1067216611.db2.gz QNFYPFMYRNLNKI-UHFFFAOYSA-N 1 2 470.643 3.364 20 0 JGADLO CS[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302588179 1067225200 /nfs/dbraw/zinc/22/52/00/1067225200.db2.gz JILZIENLUCKZIP-UNMCSNQZSA-N 1 2 499.729 3.175 20 0 JGADLO CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC001302591517 1067228859 /nfs/dbraw/zinc/22/88/59/1067228859.db2.gz HKVVCVASQYELKD-UHFFFAOYSA-N 1 2 463.051 3.288 20 0 JGADLO Cc1cc(C)cc(OCCn2c(C(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)c1 ZINC001304184804 1067235704 /nfs/dbraw/zinc/23/57/04/1067235704.db2.gz HUIJCAFGYJVIKG-VWLOTQADSA-N 1 2 484.689 3.329 20 0 JGADLO CC(C)c1nnc(N(CCO)Cc2cc(Br)ccc2F)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302603506 1067239588 /nfs/dbraw/zinc/23/95/88/1067239588.db2.gz QBLYUHXMUOTDCW-MRXNPFEDSA-N 1 2 484.414 3.023 20 0 JGADLO CC(C)c1nnc(N(CCO)Cc2cc(Br)ccc2F)n1CC[N@H+]1CCOC[C@H]1C ZINC001302603506 1067239591 /nfs/dbraw/zinc/23/95/91/1067239591.db2.gz QBLYUHXMUOTDCW-MRXNPFEDSA-N 1 2 484.414 3.023 20 0 JGADLO CSc1cc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[NH+]2CCOCC2)ccn1 ZINC001302637559 1067267845 /nfs/dbraw/zinc/26/78/45/1067267845.db2.gz XEWUBBLDFWXVMY-SFHVURJKSA-N 1 2 486.617 3.491 20 0 JGADLO CC(C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001302643783 1067271854 /nfs/dbraw/zinc/27/18/54/1067271854.db2.gz IKYXXDUIIKQVDL-UHFFFAOYSA-N 1 2 468.627 3.018 20 0 JGADLO Cc1cc(N2CCN(c3nnc(-c4ccccc4F)n3CC(=O)NC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245138 1067280007 /nfs/dbraw/zinc/28/00/07/1067280007.db2.gz IBCWNNCJILGMCV-UHFFFAOYSA-N 1 2 480.592 3.157 20 0 JGADLO Cc1cc(N2CCN(c3nnc(-c4cccc(Cl)c4)n3CC(=O)N(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245624 1067281068 /nfs/dbraw/zinc/28/10/68/1067281068.db2.gz OKHUFRUNCSDQNP-UHFFFAOYSA-N 1 2 483.020 3.235 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C4CCCC4)n3CCNC(=O)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245907 1067281209 /nfs/dbraw/zinc/28/12/09/1067281209.db2.gz SEZFRAJMFPHWQI-UHFFFAOYSA-N 1 2 468.650 3.256 20 0 JGADLO CS[C@@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302664855 1067292640 /nfs/dbraw/zinc/29/26/40/1067292640.db2.gz HWTOYSWCETXNNE-YKSBVNFPSA-N 1 2 481.707 3.151 20 0 JGADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001304275988 1067314123 /nfs/dbraw/zinc/31/41/23/1067314123.db2.gz ZTYFTHVHMYWUOV-NHCUHLMSSA-N 1 2 457.619 3.235 20 0 JGADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001304275988 1067314135 /nfs/dbraw/zinc/31/41/35/1067314135.db2.gz ZTYFTHVHMYWUOV-NHCUHLMSSA-N 1 2 457.619 3.235 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCC(CO)CC3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001304284651 1067326622 /nfs/dbraw/zinc/32/66/22/1067326622.db2.gz BIFFKMRMBVQBOK-UHFFFAOYSA-N 1 2 450.587 3.192 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001302721777 1067337416 /nfs/dbraw/zinc/33/74/16/1067337416.db2.gz DMPGIHDFNRGPFT-KSEOMHKRSA-N 1 2 486.686 3.189 20 0 JGADLO CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001302730166 1067345365 /nfs/dbraw/zinc/34/53/65/1067345365.db2.gz IVDVKUAYALYRGF-RTWAWAEBSA-N 1 2 477.650 3.324 20 0 JGADLO CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001302730166 1067345376 /nfs/dbraw/zinc/34/53/76/1067345376.db2.gz IVDVKUAYALYRGF-RTWAWAEBSA-N 1 2 477.650 3.324 20 0 JGADLO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@@H](C)[NH+]2CCOCC2)o1 ZINC001304298070 1067347529 /nfs/dbraw/zinc/34/75/29/1067347529.db2.gz SZAHUHHDGLSGEH-MJGOQNOKSA-N 1 2 487.626 3.168 20 0 JGADLO Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC(C)(C)[NH+]2CCOCC2)o1 ZINC001304313181 1067360356 /nfs/dbraw/zinc/36/03/56/1067360356.db2.gz VNNPJFGUPITTBE-UHFFFAOYSA-N 1 2 469.508 3.305 20 0 JGADLO Cc1ccc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCN(C)C(=O)OC(C)(C)C)o1 ZINC001304324069 1067372091 /nfs/dbraw/zinc/37/20/91/1067372091.db2.gz OMQULWHYIUDNPP-UHFFFAOYSA-N 1 2 467.574 3.435 20 0 JGADLO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)CCS1 ZINC001302790226 1067381547 /nfs/dbraw/zinc/38/15/47/1067381547.db2.gz YPROAZTWTYKQOQ-DOIPELPJSA-N 1 2 465.708 3.495 20 0 JGADLO CSCCCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302792483 1067383949 /nfs/dbraw/zinc/38/39/49/1067383949.db2.gz ADHWWTARDWWGBT-UHFFFAOYSA-N 1 2 473.672 3.103 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)cc1C ZINC001304373937 1067412054 /nfs/dbraw/zinc/41/20/54/1067412054.db2.gz GBCQTSRAYNNMRG-RUZDIDTESA-N 1 2 486.686 3.447 20 0 JGADLO CSCCCn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001302826071 1067416203 /nfs/dbraw/zinc/41/62/03/1067416203.db2.gz FVEZEXKEBDTYQY-QHCPKHFHSA-N 1 2 460.648 3.096 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001304376070 1067417057 /nfs/dbraw/zinc/41/70/57/1067417057.db2.gz SIGVOMYWGKYVGJ-VWNXMTODSA-N 1 2 498.672 3.367 20 0 JGADLO CC(C)Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302827517 1067417188 /nfs/dbraw/zinc/41/71/88/1067417188.db2.gz APDIXADOWXYGGP-VQTJNVASSA-N 1 2 470.618 3.351 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2CCC[C@@H]2CCCCO2)cc1C ZINC001304376419 1067417625 /nfs/dbraw/zinc/41/76/25/1067417625.db2.gz YDEDHNSKILYCKQ-QHCPKHFHSA-N 1 2 484.645 3.265 20 0 JGADLO CC(C)Cc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001302830478 1067419913 /nfs/dbraw/zinc/41/99/13/1067419913.db2.gz UVHAPDHFBJKTNY-FUHIMQAGSA-N 1 2 453.628 3.176 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H]3CCSC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001304379276 1067423953 /nfs/dbraw/zinc/42/39/53/1067423953.db2.gz QSYLQTCZSARUDM-YADHBBJMSA-N 1 2 486.686 3.446 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)[C@H]3CCSC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001304379274 1067423961 /nfs/dbraw/zinc/42/39/61/1067423961.db2.gz QSYLQTCZSARUDM-VXKWHMMOSA-N 1 2 486.686 3.446 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCC(C)CC3)n2CC(C)(C)[NH+]2CCOCC2)cc1C ZINC001304379433 1067424463 /nfs/dbraw/zinc/42/44/63/1067424463.db2.gz XWYOZGWNXBBUFV-UHFFFAOYSA-N 1 2 454.619 3.494 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCC(CCCO)CC3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001304380696 1067428809 /nfs/dbraw/zinc/42/88/09/1067428809.db2.gz VHVGEFHADUTOIB-UHFFFAOYSA-N 1 2 498.672 3.247 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCC(CCCO)CC3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001304380696 1067428811 /nfs/dbraw/zinc/42/88/11/1067428811.db2.gz VHVGEFHADUTOIB-UHFFFAOYSA-N 1 2 498.672 3.247 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2CCc2cn3ccccc3[nH+]2)cc1C ZINC001304398348 1067460637 /nfs/dbraw/zinc/46/06/37/1067460637.db2.gz UTCVWQOWNBWRJC-UHFFFAOYSA-N 1 2 475.597 3.325 20 0 JGADLO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001304401138 1067464253 /nfs/dbraw/zinc/46/42/53/1067464253.db2.gz YEKLKBLHJKZAJG-LJQANCHMSA-N 1 2 468.602 3.436 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@](C)(O)C2CCCCC2)cc1 ZINC001304402963 1067465339 /nfs/dbraw/zinc/46/53/39/1067465339.db2.gz BXZZCROLMHAZJB-AREMUKBSSA-N 1 2 471.646 3.265 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CC[C@H]2CCO[C@H](C)C2)cc1 ZINC001304404379 1067466839 /nfs/dbraw/zinc/46/68/39/1067466839.db2.gz QXCUKIZMMVCEDG-YADHBBJMSA-N 1 2 457.619 3.139 20 0 JGADLO C[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)[nH+]c2)CCN1C(=O)OC(C)(C)C ZINC001302895119 1067475872 /nfs/dbraw/zinc/47/58/72/1067475872.db2.gz ULAFDKLGOCRWRO-IBGZPJMESA-N 1 2 492.628 3.219 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001304425604 1067503314 /nfs/dbraw/zinc/50/33/14/1067503314.db2.gz RHSHDIKBVCKGPX-UNMCSNQZSA-N 1 2 457.619 3.138 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001304431962 1067510389 /nfs/dbraw/zinc/51/03/89/1067510389.db2.gz OAABZKFHWVJDKO-LJQANCHMSA-N 1 2 486.667 3.011 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001304438935 1067519360 /nfs/dbraw/zinc/51/93/60/1067519360.db2.gz PSNGDVMRYLDQPJ-FQEVSTJZSA-N 1 2 486.686 3.081 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001304438935 1067519366 /nfs/dbraw/zinc/51/93/66/1067519366.db2.gz PSNGDVMRYLDQPJ-FQEVSTJZSA-N 1 2 486.686 3.081 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001304440288 1067520797 /nfs/dbraw/zinc/52/07/97/1067520797.db2.gz ICYJZPRNEOFZIF-HXUWFJFHSA-N 1 2 491.708 3.478 20 0 JGADLO Cc1ccc(SCCn2c(Cc3ccccn3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001304441413 1067522200 /nfs/dbraw/zinc/52/22/00/1067522200.db2.gz VYWZOOYIOABABD-UHFFFAOYSA-N 1 2 452.628 3.133 20 0 JGADLO Cc1cccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)n1 ZINC001304451823 1067532816 /nfs/dbraw/zinc/53/28/16/1067532816.db2.gz QHQCEDNGBZIQPL-IBGZPJMESA-N 1 2 462.602 3.028 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@]1(O)CCSC1 ZINC001302965440 1067535399 /nfs/dbraw/zinc/53/53/99/1067535399.db2.gz CXANWZHPPGIEIK-HSZRJFAPSA-N 1 2 480.078 3.199 20 0 JGADLO Cc1cccc(CCCn2c(-c3ccccc3Cl)nnc2N2CCC(OCC(N)=O)CC2)[nH+]1 ZINC001304481187 1067560969 /nfs/dbraw/zinc/56/09/69/1067560969.db2.gz BFMJPNRLPVYBIG-UHFFFAOYSA-N 1 2 468.989 3.405 20 0 JGADLO Cc1cccc(CCCn2c(-c3cnn(C)c3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)[nH+]1 ZINC001304482614 1067561943 /nfs/dbraw/zinc/56/19/43/1067561943.db2.gz OPEVSKKILDRIHQ-QGZVFWFLSA-N 1 2 462.524 3.088 20 0 JGADLO Cc1cccc(CCCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@H]2CCOC2)[nH+]1 ZINC001304484068 1067563355 /nfs/dbraw/zinc/56/33/55/1067563355.db2.gz ZTCLJXNSFSWJEQ-HXUWFJFHSA-N 1 2 498.653 3.004 20 0 JGADLO CC(C)CC[C@@](C)(O)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)CC[NH+]1CCOCC1 ZINC001303008970 1067563562 /nfs/dbraw/zinc/56/35/62/1067563562.db2.gz GZYYNHHCRIOXEB-RUZDIDTESA-N 1 2 454.619 3.382 20 0 JGADLO Cc1cccc(CCCn2c(C3CC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001304485312 1067564301 /nfs/dbraw/zinc/56/43/01/1067564301.db2.gz CVXARSPHFYLNNT-FQEVSTJZSA-N 1 2 456.591 3.222 20 0 JGADLO CC(C)CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001303010160 1067564797 /nfs/dbraw/zinc/56/47/97/1067564797.db2.gz KURWVGPZSWZTMB-JIPXPUAJSA-N 1 2 499.704 3.040 20 0 JGADLO Cc1cccc(CCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)[C@H](C)CC(N)=O)[nH+]1 ZINC001304486362 1067564963 /nfs/dbraw/zinc/56/49/63/1067564963.db2.gz LAFRTLYHRWLHMN-UXHICEINSA-N 1 2 499.660 3.429 20 0 JGADLO CC(C)CC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001303011758 1067566388 /nfs/dbraw/zinc/56/63/88/1067566388.db2.gz UWBMRUNXNMDGIU-FNZWTVRRSA-N 1 2 485.677 3.030 20 0 JGADLO CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@H]1COC2(CCC2)C1 ZINC001303054773 1067593965 /nfs/dbraw/zinc/59/39/65/1067593965.db2.gz VLFVDBZJUHAXFR-RTWAWAEBSA-N 1 2 454.571 3.195 20 0 JGADLO Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001304519567 1067595263 /nfs/dbraw/zinc/59/52/63/1067595263.db2.gz JWSJXDJGCKCBIP-HXUWFJFHSA-N 1 2 454.619 3.131 20 0 JGADLO Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001304519567 1067595269 /nfs/dbraw/zinc/59/52/69/1067595269.db2.gz JWSJXDJGCKCBIP-HXUWFJFHSA-N 1 2 454.619 3.131 20 0 JGADLO Cc1ccccc1[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001304520143 1067595605 /nfs/dbraw/zinc/59/56/05/1067595605.db2.gz OKQCUFXDPBONPJ-UNMCSNQZSA-N 1 2 456.635 3.279 20 0 JGADLO Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001304519979 1067595625 /nfs/dbraw/zinc/59/56/25/1067595625.db2.gz OKQCUFXDPBONPJ-IFMALSPDSA-N 1 2 456.635 3.279 20 0 JGADLO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001304522954 1067597562 /nfs/dbraw/zinc/59/75/62/1067597562.db2.gz XRYBNEQZYQJUOL-UYAOXDASSA-N 1 2 468.627 3.195 20 0 JGADLO Cc1ccccc1-c1nnc(N2CC[NH+](CC(=O)N3CCCC3)CC2)n1CCOCCC(C)C ZINC001304536473 1067607032 /nfs/dbraw/zinc/60/70/32/1067607032.db2.gz CBZCGJNJQQSCCH-UHFFFAOYSA-N 1 2 468.646 3.061 20 0 JGADLO Cc1ccccc1-c1nnc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)n1CC(F)(F)Br ZINC001304536632 1067607434 /nfs/dbraw/zinc/60/74/34/1067607434.db2.gz FMJJCECXAIIVPN-HNNXBMFYSA-N 1 2 497.388 3.030 20 0 JGADLO Cc1ccccc1-c1nnc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)n1CC(F)(F)Br ZINC001304536633 1067607811 /nfs/dbraw/zinc/60/78/11/1067607811.db2.gz FMJJCECXAIIVPN-OAHLLOKOSA-N 1 2 497.388 3.030 20 0 JGADLO Cc1ccccc1Cc1nnc(N(C)CCCS(C)(=O)=O)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001304547128 1067616392 /nfs/dbraw/zinc/61/63/92/1067616392.db2.gz FZTXFUPKVVEILR-UHFFFAOYSA-N 1 2 496.681 3.482 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001304556172 1067624910 /nfs/dbraw/zinc/62/49/10/1067624910.db2.gz GQICHSKOOHYUNS-JOCHJYFZSA-N 1 2 482.654 3.090 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCOC(C)C ZINC001304559637 1067628867 /nfs/dbraw/zinc/62/88/67/1067628867.db2.gz MRPMSLWPLFJBQS-QHCPKHFHSA-N 1 2 482.673 3.125 20 0 JGADLO Cc1ccccc1C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(C)C)CC1 ZINC001304570090 1067637947 /nfs/dbraw/zinc/63/79/47/1067637947.db2.gz JKOGTQAEWCHVRL-QFIPXVFZSA-N 1 2 459.660 3.247 20 0 JGADLO CC(C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001303111595 1067649531 /nfs/dbraw/zinc/64/95/31/1067649531.db2.gz CGMANBGMOJPPMS-UHFFFAOYSA-N 1 2 472.609 3.038 20 0 JGADLO CC1=CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001304597590 1067661114 /nfs/dbraw/zinc/66/11/14/1067661114.db2.gz CAWHTJQDARVNTN-SFHVURJKSA-N 1 2 476.419 3.497 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cccs1)CCC2 ZINC001304607425 1067674262 /nfs/dbraw/zinc/67/42/62/1067674262.db2.gz ZMHRUZYSJIQVBX-BBWFWOEESA-N 1 2 477.660 3.230 20 0 JGADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(Cc3ccc(Cl)cc3)nnc1N(C)[C@H](C)CS(C)(=O)=O)CCC2 ZINC001304609784 1067676980 /nfs/dbraw/zinc/67/69/80/1067676980.db2.gz WZDPFMKSFJVEES-IEBWSBKVSA-N 1 2 491.061 3.474 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c(CCCc3ccccc3)nnc1N(C)CCS(C)(=O)=O)CCC2 ZINC001304610080 1067677419 /nfs/dbraw/zinc/67/74/19/1067677419.db2.gz YMVYOLUTBWBCAK-NRFANRHFSA-N 1 2 470.643 3.017 20 0 JGADLO Cc1coc(C)c1Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001304616413 1067684548 /nfs/dbraw/zinc/68/45/48/1067684548.db2.gz IKUMDDYVOLQPPJ-IBGZPJMESA-N 1 2 456.635 3.258 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001303183095 1067715263 /nfs/dbraw/zinc/71/52/63/1067715263.db2.gz PVIPJWIDYJADLI-LJQANCHMSA-N 1 2 493.649 3.303 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccc(OC(F)(F)F)cc2)cs1 ZINC001304656197 1067724631 /nfs/dbraw/zinc/72/46/31/1067724631.db2.gz HSQPWDUCKUAXBJ-UHFFFAOYSA-N 1 2 496.559 3.349 20 0 JGADLO CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001303235650 1067767685 /nfs/dbraw/zinc/76/76/85/1067767685.db2.gz KWQNXKXUJDGBLV-UGKGYDQZSA-N 1 2 478.037 3.483 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(Cc4ccccc4F)n3CCCCCO)CC2)s1 ZINC001304699388 1067769918 /nfs/dbraw/zinc/76/99/18/1067769918.db2.gz ICMVXWAGGOBZEZ-UHFFFAOYSA-N 1 2 458.607 3.258 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)C)n3CCc3ccc(S(C)(=O)=O)cc3)CC2)s1 ZINC001304699933 1067770264 /nfs/dbraw/zinc/77/02/64/1067770264.db2.gz MPNWZNHQLDYNEH-UHFFFAOYSA-N 1 2 488.683 3.135 20 0 JGADLO Cc1nc(N2CCN(c3nnc(C(C)C)n3C[C@@](C)(O)c3ccccc3Cl)CC2)cc[nH+]1 ZINC001304700749 1067771381 /nfs/dbraw/zinc/77/13/81/1067771381.db2.gz WTWSEXALWMUHBJ-HSZRJFAPSA-N 1 2 455.994 3.388 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC3(C(=O)N(C)C)CCCC3)CC2)s1 ZINC001304700859 1067771727 /nfs/dbraw/zinc/77/17/27/1067771727.db2.gz UQAXSVOFJQOSHR-UHFFFAOYSA-N 1 2 473.691 3.311 20 0 JGADLO Cc1nc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCSCC(F)(F)F)CC2)cc[nH+]1 ZINC001304701950 1067773611 /nfs/dbraw/zinc/77/36/11/1067773611.db2.gz OGXVQGQXRDERPD-INIZCTEOSA-N 1 2 471.553 3.240 20 0 JGADLO Cc1nc(N2CCN(c3nnc([C@H](C)Oc4ccccc4F)n3C[C@](C)(O)C(C)C)CC2)cc[nH+]1 ZINC001304702606 1067774488 /nfs/dbraw/zinc/77/44/88/1067774488.db2.gz VSANSJUWXIHIKY-BVZFJXPGSA-N 1 2 483.592 3.389 20 0 JGADLO Cc1nc(N2CCN(c3nnc(-c4ccccc4Br)n3CCCCCO)CC2)cc[nH+]1 ZINC001304702587 1067774738 /nfs/dbraw/zinc/77/47/38/1067774738.db2.gz VDQGXJYCFHAIPB-UHFFFAOYSA-N 1 2 486.418 3.295 20 0 JGADLO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001304712100 1067783170 /nfs/dbraw/zinc/78/31/70/1067783170.db2.gz HOIFMYKWRLTWLD-PXNSSMCTSA-N 1 2 485.608 3.265 20 0 JGADLO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[N@H+]1CCOC[C@@H]1C ZINC001304712100 1067783180 /nfs/dbraw/zinc/78/31/80/1067783180.db2.gz HOIFMYKWRLTWLD-PXNSSMCTSA-N 1 2 485.608 3.265 20 0 JGADLO Cc1cc(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)CC[NH+]2CCOCC2)n(C)n1 ZINC001304729953 1067801502 /nfs/dbraw/zinc/80/15/02/1067801502.db2.gz OHXPULSFANZICX-UHFFFAOYSA-N 1 2 476.050 3.082 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001304736456 1067810693 /nfs/dbraw/zinc/81/06/93/1067810693.db2.gz KYEGQTVFOSSISP-RTBURBONSA-N 1 2 473.572 3.336 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001304743202 1067820725 /nfs/dbraw/zinc/82/07/25/1067820725.db2.gz JFHISCNHWZJGMG-IBGZPJMESA-N 1 2 458.010 3.150 20 0 JGADLO Cc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccc(NCCn4cc[nH+]c4)cc3)CC2)cc1 ZINC001303301407 1067825714 /nfs/dbraw/zinc/82/57/14/1067825714.db2.gz VPLRPFCISZUSDI-UHFFFAOYSA-N 1 2 452.580 3.382 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCSC(C)C)n1 ZINC001304755934 1067839257 /nfs/dbraw/zinc/83/92/57/1067839257.db2.gz XMRZIEYREOMSRO-UHFFFAOYSA-N 1 2 454.648 3.305 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(F)(F)F)CC2)C1 ZINC001303318164 1067848548 /nfs/dbraw/zinc/84/85/48/1067848548.db2.gz JQNWVDOQBQCJOP-LJQANCHMSA-N 1 2 486.970 3.392 20 0 JGADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCSC3(C)C)CC2)C1 ZINC001303318158 1067848558 /nfs/dbraw/zinc/84/85/58/1067848558.db2.gz JHOBPTSDGHTJGJ-SFTDATJTSA-N 1 2 478.751 3.339 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001303325176 1067854550 /nfs/dbraw/zinc/85/45/50/1067854550.db2.gz VGJQEAREDNEXSQ-GHTZIAJQSA-N 1 2 460.598 3.110 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)CC2CCCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001303336796 1067866481 /nfs/dbraw/zinc/86/64/81/1067866481.db2.gz FVDTXSWQUCWJHN-IBGZPJMESA-N 1 2 469.634 3.101 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001303343438 1067871919 /nfs/dbraw/zinc/87/19/19/1067871919.db2.gz LWHGKOHCIOQGDQ-PMACEKPBSA-N 1 2 483.661 3.490 20 0 JGADLO Cc1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001304789928 1067882596 /nfs/dbraw/zinc/88/25/96/1067882596.db2.gz ZBLDKMBXWRIOBW-SFHVURJKSA-N 1 2 483.642 3.111 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1sccc1Br ZINC001303404694 1067933337 /nfs/dbraw/zinc/93/33/37/1067933337.db2.gz ZPJZWLRWXWFWHF-UHFFFAOYSA-N 1 2 490.431 3.010 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCc1nccs1 ZINC001303407636 1067934503 /nfs/dbraw/zinc/93/45/03/1067934503.db2.gz JAUPUZGPODAFHR-UHFFFAOYSA-N 1 2 474.034 3.091 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4cccc(Cl)c4)n3CCCNC(=O)C(C)C)CC2)on1 ZINC001304900927 1067944629 /nfs/dbraw/zinc/94/46/29/1067944629.db2.gz UUQFVLFJRTZKBY-UHFFFAOYSA-N 1 2 486.020 3.379 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001303421588 1067947348 /nfs/dbraw/zinc/94/73/48/1067947348.db2.gz VJJCDWRCVHEKID-MSOLQXFVSA-N 1 2 457.648 3.180 20 0 JGADLO CC(C)NC(=O)CCn1c(C2CCC2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001303426550 1067951617 /nfs/dbraw/zinc/95/16/17/1067951617.db2.gz URASBECWYMNZPZ-UHFFFAOYSA-N 1 2 475.037 3.315 20 0 JGADLO CC(C)NC(=O)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001303434592 1067958134 /nfs/dbraw/zinc/95/81/34/1067958134.db2.gz LWWLUKHULDLKSK-SFHVURJKSA-N 1 2 479.560 3.408 20 0 JGADLO CC(C)NC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001303446419 1067967080 /nfs/dbraw/zinc/96/70/80/1067967080.db2.gz HKKLKSICYGXOOD-UHFFFAOYSA-N 1 2 498.429 3.256 20 0 JGADLO Cn1cc[nH+]c1CCNC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 ZINC001303467119 1067986098 /nfs/dbraw/zinc/98/60/98/1067986098.db2.gz SHQOXSZHFHBDEE-UHFFFAOYSA-N 1 2 456.959 3.424 20 0 JGADLO COc1cc(C(=O)NCc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)ccc1O ZINC001303492789 1068017714 /nfs/dbraw/zinc/01/77/14/1068017714.db2.gz LEVIWSRKOCDXQL-UHFFFAOYSA-N 1 2 455.555 3.384 20 0 JGADLO CC(C)OC[C@H]1CN(c2nnc(COc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001303538085 1068067098 /nfs/dbraw/zinc/06/70/98/1068067098.db2.gz BPUFNERMBYSYLQ-HXUWFJFHSA-N 1 2 484.576 3.136 20 0 JGADLO CC(C)OCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001303561822 1068085553 /nfs/dbraw/zinc/08/55/53/1068085553.db2.gz YAYUTNZJDXVSFK-IBGZPJMESA-N 1 2 475.037 3.156 20 0 JGADLO C[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305033438 1068090805 /nfs/dbraw/zinc/09/08/05/1068090805.db2.gz DJFIRJRITCRMFN-AQNXPRMDSA-N 1 2 489.686 3.473 20 0 JGADLO C[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001305033438 1068090819 /nfs/dbraw/zinc/09/08/19/1068090819.db2.gz DJFIRJRITCRMFN-AQNXPRMDSA-N 1 2 489.686 3.473 20 0 JGADLO CC(C)SCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001303577398 1068101909 /nfs/dbraw/zinc/10/19/09/1068101909.db2.gz OUXWFOYCENRJTL-LJQANCHMSA-N 1 2 493.077 3.225 20 0 JGADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303595591 1068117724 /nfs/dbraw/zinc/11/77/24/1068117724.db2.gz DWTRVMFBQHLHNV-SFHVURJKSA-N 1 2 493.637 3.394 20 0 JGADLO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001303601719 1068131404 /nfs/dbraw/zinc/13/14/04/1068131404.db2.gz KUPVASARQOSZRX-HYHKQLJDSA-N 1 2 459.660 3.375 20 0 JGADLO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001303603258 1068134239 /nfs/dbraw/zinc/13/42/39/1068134239.db2.gz RNGBEIQCFDHFEN-BSIFCXSSSA-N 1 2 489.667 3.448 20 0 JGADLO CC1CCN(c2ccc(Cn3c(Cc4ccsc4)nnc3N(C)CCS(C)(=O)=O)c[nH+]2)CC1 ZINC001305066381 1068138507 /nfs/dbraw/zinc/13/85/07/1068138507.db2.gz MNFWQXSHLWTALN-UHFFFAOYSA-N 1 2 488.683 3.091 20 0 JGADLO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001303631640 1068162646 /nfs/dbraw/zinc/16/26/46/1068162646.db2.gz XCBVNBHPMHXYAE-OJXHOQKUSA-N 1 2 465.689 3.274 20 0 JGADLO C[C@H]1CN(c2ccc(Cn3c(N4CCC(O)(C(F)(F)F)CC4)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001305120178 1068201631 /nfs/dbraw/zinc/20/16/31/1068201631.db2.gz CHPRORZUNLMGIB-INIZCTEOSA-N 1 2 482.551 3.138 20 0 JGADLO C[C@H]1CN(c2ccc(Cn3c(N(C)Cc4ncc(Cl)n4C)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001305122547 1068206426 /nfs/dbraw/zinc/20/64/26/1068206426.db2.gz OXRJMJSEGQGOGV-INIZCTEOSA-N 1 2 473.025 3.267 20 0 JGADLO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001303672389 1068207948 /nfs/dbraw/zinc/20/79/48/1068207948.db2.gz SCPOFRBHUBOJGA-LJQANCHMSA-N 1 2 464.655 3.207 20 0 JGADLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)Oc1ccccc1 ZINC001303687903 1068226454 /nfs/dbraw/zinc/22/64/54/1068226454.db2.gz KWEHFGKYWRNWJM-RTWAWAEBSA-N 1 2 454.619 3.002 20 0 JGADLO C[C@@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1(C)C)[NH+]1CCOCC1 ZINC001303718617 1068267486 /nfs/dbraw/zinc/26/74/86/1068267486.db2.gz QQGLCFYTZDIYIU-PMACEKPBSA-N 1 2 476.666 3.492 20 0 JGADLO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)[NH+]1CCOCC1 ZINC001303724687 1068276189 /nfs/dbraw/zinc/27/61/89/1068276189.db2.gz OQCXKVFXGNFHPN-GOSISDBHSA-N 1 2 462.589 3.192 20 0 JGADLO C[C@@H](Cn1c(Cc2cccnc2)nnc1N(CCC(F)(F)F)CC1CC1)[NH+]1CCOCC1 ZINC001303728990 1068283860 /nfs/dbraw/zinc/28/38/60/1068283860.db2.gz RDJBEQHSOBYCGT-KRWDZBQOSA-N 1 2 452.525 3.153 20 0 JGADLO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOCC1)Oc1ccc(Cl)cc1 ZINC001303732617 1068288099 /nfs/dbraw/zinc/28/80/99/1068288099.db2.gz VWQKXEOXHYBVOX-LJQANCHMSA-N 1 2 471.005 3.153 20 0 JGADLO C[C@H](Cn1c(CC2CCCC2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC001303734857 1068291282 /nfs/dbraw/zinc/29/12/82/1068291282.db2.gz QDNKIQNHGRJGGK-FGZHOGPDSA-N 1 2 482.673 3.387 20 0 JGADLO C[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@H]2C)CCS1 ZINC001305178412 1068292609 /nfs/dbraw/zinc/29/26/09/1068292609.db2.gz JILLZYOMBDRZSY-RTBURBONSA-N 1 2 494.706 3.055 20 0 JGADLO C[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@H]2C)CCS1 ZINC001305178412 1068292616 /nfs/dbraw/zinc/29/26/16/1068292616.db2.gz JILLZYOMBDRZSY-RTBURBONSA-N 1 2 494.706 3.055 20 0 JGADLO C[C@H](Cn1c(N(CCO)Cc2cc(Br)ccc2F)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001303738070 1068296979 /nfs/dbraw/zinc/29/69/79/1068296979.db2.gz ITSWOMMIFVNBDL-MRXNPFEDSA-N 1 2 498.441 3.197 20 0 JGADLO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001303738209 1068297074 /nfs/dbraw/zinc/29/70/74/1068297074.db2.gz SBDOUVOFGVYLNJ-SJORKVTESA-N 1 2 453.509 3.198 20 0 JGADLO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC1CC1)[NH+]1CCOCC1 ZINC001303744947 1068305758 /nfs/dbraw/zinc/30/57/58/1068305758.db2.gz VKERLKSYSMQOAJ-QUCCMNQESA-N 1 2 462.639 3.307 20 0 JGADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001303780558 1068358838 /nfs/dbraw/zinc/35/88/38/1068358838.db2.gz IVSXYMFUFTYQQZ-VQIMIIECSA-N 1 2 479.647 3.242 20 0 JGADLO C[C@H]1COCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001305222661 1068363421 /nfs/dbraw/zinc/36/34/21/1068363421.db2.gz LYGCTDLHMZAFPV-HKUYNNGSSA-N 1 2 478.435 3.149 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233776 1068380328 /nfs/dbraw/zinc/38/03/28/1068380328.db2.gz FHRRBWBRVOKTEG-QHAWAJNXSA-N 1 2 492.665 3.076 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233776 1068380344 /nfs/dbraw/zinc/38/03/44/1068380344.db2.gz FHRRBWBRVOKTEG-QHAWAJNXSA-N 1 2 492.665 3.076 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001305234228 1068382648 /nfs/dbraw/zinc/38/26/48/1068382648.db2.gz MNJSXHOKQRRITF-NVXWUHKLSA-N 1 2 471.499 3.297 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001305234228 1068382660 /nfs/dbraw/zinc/38/26/60/1068382660.db2.gz MNJSXHOKQRRITF-NVXWUHKLSA-N 1 2 471.499 3.297 20 0 JGADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCCC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305234640 1068384862 /nfs/dbraw/zinc/38/48/62/1068384862.db2.gz UQIAINAYBFYJSD-OALUTQOASA-N 1 2 475.659 3.257 20 0 JGADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCCC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305234640 1068384879 /nfs/dbraw/zinc/38/48/79/1068384879.db2.gz UQIAINAYBFYJSD-OALUTQOASA-N 1 2 475.659 3.257 20 0 JGADLO C[C@H](Cn1c(C2CC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001303797627 1068387930 /nfs/dbraw/zinc/38/79/30/1068387930.db2.gz MTVDQXPCTKHPLH-MSOLQXFVSA-N 1 2 462.639 3.006 20 0 JGADLO C[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303797863 1068388804 /nfs/dbraw/zinc/38/88/04/1068388804.db2.gz LONCPSBXKNYXOV-BJLQDIEVSA-N 1 2 462.639 3.006 20 0 JGADLO C[C@H]1OCC[C@@]1(O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001305246520 1068399725 /nfs/dbraw/zinc/39/97/25/1068399725.db2.gz FLUPQAHBINAFOV-KBMIEXCESA-N 1 2 492.064 3.261 20 0 JGADLO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001305259035 1068425091 /nfs/dbraw/zinc/42/50/91/1068425091.db2.gz OGBHPXRRJAAGKM-MUGJNUQGSA-N 1 2 494.706 3.401 20 0 JGADLO CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001305277128 1068478852 /nfs/dbraw/zinc/47/88/52/1068478852.db2.gz HVABXIDOTORWTP-MRXNPFEDSA-N 1 2 460.026 3.219 20 0 JGADLO CC[C@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305312263 1068523168 /nfs/dbraw/zinc/52/31/68/1068523168.db2.gz LVAUIPMKEKGWAR-VWLOTQADSA-N 1 2 450.587 3.357 20 0 JGADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@H+]1CC=CCC1 ZINC001303887758 1068526110 /nfs/dbraw/zinc/52/61/10/1068526110.db2.gz MGDUPOHGWDDYFR-CEXWTWQISA-N 1 2 479.622 3.077 20 0 JGADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@@H+]1CC=CCC1 ZINC001303887758 1068526121 /nfs/dbraw/zinc/52/61/21/1068526121.db2.gz MGDUPOHGWDDYFR-CEXWTWQISA-N 1 2 479.622 3.077 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cnccn2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303916634 1068568711 /nfs/dbraw/zinc/56/87/11/1068568711.db2.gz LGYGUIXVDCQTKA-SFHVURJKSA-N 1 2 469.565 3.094 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1CC(F)(F)C1 ZINC001303924225 1068578575 /nfs/dbraw/zinc/57/85/75/1068578575.db2.gz TULZOFTVTHPDFP-MRXNPFEDSA-N 1 2 453.509 3.371 20 0 JGADLO CC[C@H](C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001305344067 1068581805 /nfs/dbraw/zinc/58/18/05/1068581805.db2.gz CEACDDLNZGLNQD-SSPYTLHUSA-N 1 2 482.673 3.448 20 0 JGADLO CC[C@H](C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1)OC ZINC001305351309 1068595456 /nfs/dbraw/zinc/59/54/56/1068595456.db2.gz IYVHVUPZOMAJNM-BGWNEDDSSA-N 1 2 469.678 3.314 20 0 JGADLO CC[C@H](C)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305370426 1068624584 /nfs/dbraw/zinc/62/45/84/1068624584.db2.gz XHYMCNAPIMJDGS-FHWLQOOXSA-N 1 2 463.648 3.113 20 0 JGADLO CC[C@H](C)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305370430 1068625180 /nfs/dbraw/zinc/62/51/80/1068625180.db2.gz XHYMCNAPIMJDGS-IPMKNSEASA-N 1 2 463.648 3.113 20 0 JGADLO CC[C@H](C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001305371590 1068625634 /nfs/dbraw/zinc/62/56/34/1068625634.db2.gz WXYQKTCHBSYDDP-OTWHNJEPSA-N 1 2 451.637 3.481 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305381035 1068632286 /nfs/dbraw/zinc/63/22/86/1068632286.db2.gz MFXOQPKEPOUMST-HNNXBMFYSA-N 1 2 452.525 3.009 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2ccc(C(=O)NC)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305382528 1068633239 /nfs/dbraw/zinc/63/32/39/1068633239.db2.gz VRQPJRLFFRWWBD-PMACEKPBSA-N 1 2 491.640 3.456 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305391381 1068636977 /nfs/dbraw/zinc/63/69/77/1068636977.db2.gz QWYASAMSVPBVIA-DLBZAZTESA-N 1 2 473.025 3.483 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001305396397 1068639550 /nfs/dbraw/zinc/63/95/50/1068639550.db2.gz CDNSSNDAWXOADH-LJQANCHMSA-N 1 2 466.586 3.454 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305441232 1068675769 /nfs/dbraw/zinc/67/57/69/1068675769.db2.gz FLINOKUWPFGPAU-XUVXKRRUSA-N 1 2 464.655 3.206 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305441232 1068675773 /nfs/dbraw/zinc/67/57/73/1068675773.db2.gz FLINOKUWPFGPAU-XUVXKRRUSA-N 1 2 464.655 3.206 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001305447644 1068681694 /nfs/dbraw/zinc/68/16/94/1068681694.db2.gz BGMISQBZOLKSQY-YKSBVNFPSA-N 1 2 468.646 3.218 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001305447640 1068681711 /nfs/dbraw/zinc/68/17/11/1068681711.db2.gz BGMISQBZOLKSQY-GBXCKJPGSA-N 1 2 468.646 3.218 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001305461470 1068704375 /nfs/dbraw/zinc/70/43/75/1068704375.db2.gz XUFNHYIZDVJSHU-XAUMDUMWSA-N 1 2 475.588 3.413 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305485518 1068722311 /nfs/dbraw/zinc/72/23/11/1068722311.db2.gz JQNSNCFHKHYOFO-ZCNNSNEGSA-N 1 2 497.692 3.423 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305485518 1068722323 /nfs/dbraw/zinc/72/23/23/1068722323.db2.gz JQNSNCFHKHYOFO-ZCNNSNEGSA-N 1 2 497.692 3.423 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305487875 1068725503 /nfs/dbraw/zinc/72/55/03/1068725503.db2.gz OOWIFPNLNFGFPV-CTNGQTDRSA-N 1 2 489.690 3.085 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305499856 1068734927 /nfs/dbraw/zinc/73/49/27/1068734927.db2.gz FZDJQWWSTJZQSG-UXHICEINSA-N 1 2 472.609 3.004 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305499856 1068734933 /nfs/dbraw/zinc/73/49/33/1068734933.db2.gz FZDJQWWSTJZQSG-UXHICEINSA-N 1 2 472.609 3.004 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3cc(C)oc3C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305510726 1068750691 /nfs/dbraw/zinc/75/06/91/1068750691.db2.gz RWOYURARPDMBSJ-QGZVFWFLSA-N 1 2 465.602 3.473 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(C(=O)c3cc(C)oc3C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305510721 1068750709 /nfs/dbraw/zinc/75/07/09/1068750709.db2.gz RWOYURARPDMBSJ-KRWDZBQOSA-N 1 2 465.602 3.473 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCc1cc(C)ccc1OC ZINC001305518519 1068768018 /nfs/dbraw/zinc/76/80/18/1068768018.db2.gz KBXPBIQSLGUDSM-VXKWHMMOSA-N 1 2 482.673 3.484 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@@]1(C)COCCO1 ZINC001305529768 1068784926 /nfs/dbraw/zinc/78/49/26/1068784926.db2.gz VRDLOSVCIAXTKD-UUOWRZLLSA-N 1 2 457.623 3.146 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@]1(C)COCCO1 ZINC001305529767 1068784941 /nfs/dbraw/zinc/78/49/41/1068784941.db2.gz VRDLOSVCIAXTKD-MHECFPHRSA-N 1 2 457.623 3.146 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001305531057 1068786980 /nfs/dbraw/zinc/78/69/80/1068786980.db2.gz CRMLTENVPUNDRC-QZTJIDSGSA-N 1 2 472.638 3.472 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305533546 1068793138 /nfs/dbraw/zinc/79/31/38/1068793138.db2.gz DGISEHNOUSNUEH-WQMHRJNTSA-N 1 2 496.704 3.118 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 ZINC001305541166 1068812051 /nfs/dbraw/zinc/81/20/51/1068812051.db2.gz WURGZYVXBFQILB-TZIWHRDSSA-N 1 2 489.064 3.262 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1Cc1cnn(C)c1C ZINC001305542791 1068815864 /nfs/dbraw/zinc/81/58/64/1068815864.db2.gz WYKZIXDNMHYLEM-KRWDZBQOSA-N 1 2 455.582 3.352 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCc1nc(C)c(C)s1 ZINC001305544328 1068820474 /nfs/dbraw/zinc/82/04/74/1068820474.db2.gz OSSPCRJUFWNYLZ-UGKGYDQZSA-N 1 2 489.734 3.339 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCc1cccc(OC)c1 ZINC001305544578 1068820819 /nfs/dbraw/zinc/82/08/19/1068820819.db2.gz RAPCHACQMFPIHG-RDGATRHJSA-N 1 2 484.689 3.274 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CC(C)(C)c1ccccn1 ZINC001305545327 1068822874 /nfs/dbraw/zinc/82/28/74/1068822874.db2.gz VRSQXIUURZEKPI-DHIUTWEWSA-N 1 2 483.705 3.396 20 0 JGADLO CC[C@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305563919 1068840257 /nfs/dbraw/zinc/84/02/57/1068840257.db2.gz MPCTVRNDMBZZJY-PWRODBHTSA-N 1 2 481.707 3.229 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305564234 1068840524 /nfs/dbraw/zinc/84/05/24/1068840524.db2.gz OCELVFQFEDDTRM-GOSISDBHSA-N 1 2 460.648 3.239 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001305566202 1068842160 /nfs/dbraw/zinc/84/21/60/1068842160.db2.gz WCKKTMICLKXLEW-RTWAWAEBSA-N 1 2 481.707 3.086 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305566202 1068842173 /nfs/dbraw/zinc/84/21/73/1068842173.db2.gz WCKKTMICLKXLEW-RTWAWAEBSA-N 1 2 481.707 3.086 20 0 JGADLO CC[C@H](C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001305592303 1068859374 /nfs/dbraw/zinc/85/93/74/1068859374.db2.gz HWGLGVMGNSVBDP-CYFREDJKSA-N 1 2 487.674 3.006 20 0 JGADLO CC[C@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305592730 1068860108 /nfs/dbraw/zinc/86/01/08/1068860108.db2.gz IZUWDICBUKWORL-PMACEKPBSA-N 1 2 469.634 3.055 20 0 JGADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001305647535 1068979116 /nfs/dbraw/zinc/97/91/16/1068979116.db2.gz WUPVECHLQRDYNZ-SFHVURJKSA-N 1 2 498.031 3.087 20 0 JGADLO CC[C@@H](c1nnc(N2CCC(CCC(N)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C)c1ccccc1 ZINC001305661537 1069001700 /nfs/dbraw/zinc/00/17/00/1069001700.db2.gz DOGRZCHOJQXJHU-NFBKMPQASA-N 1 2 468.646 3.023 20 0 JGADLO CC[C@@H](c1nnc(N2CCC(CCC(N)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C)c1ccccc1 ZINC001305661537 1069001707 /nfs/dbraw/zinc/00/17/07/1069001707.db2.gz DOGRZCHOJQXJHU-NFBKMPQASA-N 1 2 468.646 3.023 20 0 JGADLO CC[C@@H](c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCC(C)(C)O)c1ccccc1 ZINC001305675227 1069027784 /nfs/dbraw/zinc/02/77/84/1069027784.db2.gz AZZYVAITMBYRGJ-JWQCQUIFSA-N 1 2 498.716 3.212 20 0 JGADLO CC[C@@H](c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC001305675362 1069028082 /nfs/dbraw/zinc/02/80/82/1069028082.db2.gz PBPLDDSRGUNFFR-FCHUYYIVSA-N 1 2 482.654 3.343 20 0 JGADLO CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001305688095 1069050957 /nfs/dbraw/zinc/05/09/57/1069050957.db2.gz UQJATDFOJZDIEY-NRFANRHFSA-N 1 2 498.672 3.292 20 0 JGADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc[nH+]1 ZINC001305693416 1069063949 /nfs/dbraw/zinc/06/39/49/1069063949.db2.gz PFMTTYRPCRMXOD-QEMXTEJRSA-N 1 2 469.586 3.373 20 0 JGADLO CCC(CC)(Cn1c([C@H]2CCCCO2)nnc1N(C)CC[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC001305696626 1069070869 /nfs/dbraw/zinc/07/08/69/1069070869.db2.gz VDAVXVSKMLQVBF-HXUWFJFHSA-N 1 2 494.681 3.372 20 0 JGADLO CCC(CC)c1cc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC[NH+]2CCOCC2)on1 ZINC001305715149 1069119783 /nfs/dbraw/zinc/11/97/83/1069119783.db2.gz JHQQYYVWDLNBPF-UHFFFAOYSA-N 1 2 453.591 3.357 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001305738960 1069164974 /nfs/dbraw/zinc/16/49/74/1069164974.db2.gz DBJRVJLQFFLLOD-CUVVAGTFSA-N 1 2 484.645 3.305 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001305739140 1069166302 /nfs/dbraw/zinc/16/63/02/1069166302.db2.gz FOHQLYOTBFVOLL-QZTJIDSGSA-N 1 2 457.623 3.283 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC=C(COC)CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001305741702 1069174819 /nfs/dbraw/zinc/17/48/19/1069174819.db2.gz STKUKONAFWLEEC-UHFFFAOYSA-N 1 2 463.586 3.213 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305743663 1069180424 /nfs/dbraw/zinc/18/04/24/1069180424.db2.gz NSUMVXBQTTXGIO-HDICACEKSA-N 1 2 457.623 3.100 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CCc1c(C)cccc1C ZINC001305756882 1069211752 /nfs/dbraw/zinc/21/17/52/1069211752.db2.gz LHZWRBDEVDPAIB-DEOSSOPVSA-N 1 2 495.716 3.272 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1ccc([C@@H](C)O)cc1 ZINC001305759452 1069220961 /nfs/dbraw/zinc/22/09/61/1069220961.db2.gz NIRJZBAQSXAECT-GOSISDBHSA-N 1 2 491.640 3.322 20 0 JGADLO Cn1c[nH+]cc1C1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC1 ZINC001305769725 1069245521 /nfs/dbraw/zinc/24/55/21/1069245521.db2.gz FGSVKBCCGMCQHC-UHFFFAOYSA-N 1 2 450.611 3.041 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001305777302 1069262618 /nfs/dbraw/zinc/26/26/18/1069262618.db2.gz FJZBAYXKEQABDF-LJQANCHMSA-N 1 2 469.634 3.245 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@H]1CCC[C@H]1C ZINC001305783729 1069278295 /nfs/dbraw/zinc/27/82/95/1069278295.db2.gz GMENJAHGLMCYJJ-MJGOQNOKSA-N 1 2 454.623 3.058 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001305783695 1069278331 /nfs/dbraw/zinc/27/83/31/1069278331.db2.gz GBUQAISTXIAZDB-UXHICEINSA-N 1 2 469.634 3.123 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001305783693 1069278395 /nfs/dbraw/zinc/27/83/95/1069278395.db2.gz GBUQAISTXIAZDB-PMACEKPBSA-N 1 2 469.634 3.123 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@H]1CCC[C@H]1C ZINC001305783726 1069278495 /nfs/dbraw/zinc/27/84/95/1069278495.db2.gz GMENJAHGLMCYJJ-IEBWSBKVSA-N 1 2 454.623 3.058 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1csc([C@H](C)OC)n1 ZINC001305784486 1069280398 /nfs/dbraw/zinc/28/03/98/1069280398.db2.gz OGFPWXSCOGVHLZ-KRWDZBQOSA-N 1 2 498.657 3.130 20 0 JGADLO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C(=O)c4ccccc4[C@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164409872 718848095 /nfs/dbraw/zinc/84/80/95/718848095.db2.gz XNHPGSJLFTUCBS-WMQCIHAUSA-N 1 2 462.594 3.297 20 0 JGADLO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C(=O)c4ccccc4[C@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164409872 718848098 /nfs/dbraw/zinc/84/80/98/718848098.db2.gz XNHPGSJLFTUCBS-WMQCIHAUSA-N 1 2 462.594 3.297 20 0 JGADLO CCc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)cc1 ZINC001164644690 719284855 /nfs/dbraw/zinc/28/48/55/719284855.db2.gz QMIYLQQXEMOTIL-UHFFFAOYSA-N 1 2 474.005 3.244 20 0 JGADLO CCc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)cc1 ZINC001164644690 719284857 /nfs/dbraw/zinc/28/48/57/719284857.db2.gz QMIYLQQXEMOTIL-UHFFFAOYSA-N 1 2 474.005 3.244 20 0 JGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)cc(O[C@H]4CCOC4)n2)CC3)cc1 ZINC001164679186 719533145 /nfs/dbraw/zinc/53/31/45/719533145.db2.gz UXYLALNMTGTPCB-IBGZPJMESA-N 1 2 462.953 3.308 20 0 JGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)cc(O[C@H]4CCOC4)n2)CC3)cc1 ZINC001164679186 719533153 /nfs/dbraw/zinc/53/31/53/719533153.db2.gz UXYLALNMTGTPCB-IBGZPJMESA-N 1 2 462.953 3.308 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)Nc2ccc(Cl)nc2)ccc1F ZINC001164701429 719854451 /nfs/dbraw/zinc/85/44/51/719854451.db2.gz KMUQVTAKMARRPW-MHECFPHRSA-N 1 2 490.963 3.359 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2cnc(Cl)nc2c1 ZINC001164701948 719859640 /nfs/dbraw/zinc/85/96/40/719859640.db2.gz MGCFESAOSQDNSA-UZLBHIALSA-N 1 2 454.905 3.061 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(C3OCCCO3)cc2)cn1 ZINC001164703730 719863886 /nfs/dbraw/zinc/86/38/86/719863886.db2.gz KGZQTDJNHRMLFG-YIXXDRMTSA-N 1 2 481.593 3.417 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(C3OCCCO3)cc2)cn1 ZINC001164703729 719863936 /nfs/dbraw/zinc/86/39/36/719863936.db2.gz KGZQTDJNHRMLFG-WNCULLNHSA-N 1 2 481.593 3.417 20 0 JGADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164703748 719867386 /nfs/dbraw/zinc/86/73/86/719867386.db2.gz KKQODBCSIYURBO-FYSMJZIKSA-N 1 2 475.973 3.298 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)Nc2cccc(Cl)c2)cn1 ZINC001164703807 719868639 /nfs/dbraw/zinc/86/86/39/719868639.db2.gz KQPBEBRJAJHZHV-RDPSFJRHSA-N 1 2 472.973 3.220 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)Nc2cccc(Cl)c2)cn1 ZINC001164703805 719869061 /nfs/dbraw/zinc/86/90/61/719869061.db2.gz KQPBEBRJAJHZHV-GBXCKJPGSA-N 1 2 472.973 3.220 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(OC)cc1 ZINC001164704880 719878836 /nfs/dbraw/zinc/87/88/36/719878836.db2.gz WVPDPWOHVBNFQL-QMHKHESXSA-N 1 2 476.961 3.164 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1OC ZINC001164697048 719878843 /nfs/dbraw/zinc/87/88/43/719878843.db2.gz BKNJBBSTMJNJHB-HJPURHCSSA-N 1 2 476.961 3.164 20 0 JGADLO Cc1ccc(-c2nc3ccccc3c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)n2)cc1 ZINC001164708856 719914161 /nfs/dbraw/zinc/91/41/61/719914161.db2.gz KNDXCHPXXRONEL-UHFFFAOYSA-N 1 2 481.604 3.289 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(-c3ccsc3)nc3ccccc31)CC2 ZINC001164708333 719924503 /nfs/dbraw/zinc/92/45/03/719924503.db2.gz JNXGIASYHOZXJD-UHFFFAOYSA-N 1 2 473.606 3.042 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc4ccccc4nc3Cl)C2)C1 ZINC001164720908 720267261 /nfs/dbraw/zinc/26/72/61/720267261.db2.gz FNVZRYOPFHSDQI-OAQYLSRUSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc4ccccc4nc3Cl)C2)C1 ZINC001164720908 720267277 /nfs/dbraw/zinc/26/72/77/720267277.db2.gz FNVZRYOPFHSDQI-OAQYLSRUSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc4c(Cl)nccc43)C2)C1 ZINC001164721580 720273166 /nfs/dbraw/zinc/27/31/66/720273166.db2.gz LIZDMIYTGDHMPP-NRFANRHFSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc4c(Cl)nccc43)C2)C1 ZINC001164721580 720273175 /nfs/dbraw/zinc/27/31/75/720273175.db2.gz LIZDMIYTGDHMPP-NRFANRHFSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(Cl)cc3)C2)C1 ZINC001164723365 720306864 /nfs/dbraw/zinc/30/68/64/720306864.db2.gz OHAIFRFCJKWGMF-QFIPXVFZSA-N 1 2 480.396 3.241 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(Cl)cc3)C2)C1 ZINC001164723365 720306870 /nfs/dbraw/zinc/30/68/70/720306870.db2.gz OHAIFRFCJKWGMF-QFIPXVFZSA-N 1 2 480.396 3.241 20 0 JGADLO CCOC(=O)c1ccc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)c(Cl)n1 ZINC001164721066 720315244 /nfs/dbraw/zinc/31/52/44/720315244.db2.gz DHIPBSXKCZNOQW-KRWDZBQOSA-N 1 2 469.920 3.474 20 0 JGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1c1nc(CN2CCOCC2)nc2sc(C)c(C)c21 ZINC001164721462 720316612 /nfs/dbraw/zinc/31/66/12/720316612.db2.gz GZWFVXWYZRSPTR-HXUWFJFHSA-N 1 2 497.669 3.158 20 0 JGADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCc2c([nH+]cn2C(C)C)[C@H]1CNC(C)=O ZINC001164726478 720316621 /nfs/dbraw/zinc/31/66/21/720316621.db2.gz ZQNYQUBVIUBAGF-MRXNPFEDSA-N 1 2 455.893 3.084 20 0 JGADLO COc1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c(Cl)nc2c1 ZINC001164824825 720365780 /nfs/dbraw/zinc/36/57/80/720365780.db2.gz NJFLTTOLSDCRTC-UHFFFAOYSA-N 1 2 487.029 3.370 20 0 JGADLO COc1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c(Cl)nc2c1 ZINC001164824825 720365784 /nfs/dbraw/zinc/36/57/84/720365784.db2.gz NJFLTTOLSDCRTC-UHFFFAOYSA-N 1 2 487.029 3.370 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc5cc(Cl)ccc5n4)CC3)C2=O)cs1 ZINC001164826555 720366811 /nfs/dbraw/zinc/36/68/11/720366811.db2.gz WZZGEXNMHCRNIL-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc5cc(Cl)ccc5n4)CC3)C2=O)cs1 ZINC001164826555 720366818 /nfs/dbraw/zinc/36/68/18/720366818.db2.gz WZZGEXNMHCRNIL-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO COC(=O)c1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)ccc2c1 ZINC001164824843 720367819 /nfs/dbraw/zinc/36/78/19/720367819.db2.gz OMBMXJAWUCBELW-UHFFFAOYSA-N 1 2 479.606 3.100 20 0 JGADLO COC(=O)c1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)ccc2c1 ZINC001164824843 720367823 /nfs/dbraw/zinc/36/78/23/720367823.db2.gz OMBMXJAWUCBELW-UHFFFAOYSA-N 1 2 479.606 3.100 20 0 JGADLO COc1ccc2nc(Cl)cc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2n1 ZINC001164821008 720372042 /nfs/dbraw/zinc/37/20/42/720372042.db2.gz VKLWAHMFTFNSJM-UHFFFAOYSA-N 1 2 487.029 3.370 20 0 JGADLO COc1ccc2nc(Cl)cc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2n1 ZINC001164821008 720372052 /nfs/dbraw/zinc/37/20/52/720372052.db2.gz VKLWAHMFTFNSJM-UHFFFAOYSA-N 1 2 487.029 3.370 20 0 JGADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820937 720372673 /nfs/dbraw/zinc/37/26/73/720372673.db2.gz UVNTZRIOBCXDAL-UHFFFAOYSA-N 1 2 492.045 3.298 20 0 JGADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820937 720372682 /nfs/dbraw/zinc/37/26/82/720372682.db2.gz UVNTZRIOBCXDAL-UHFFFAOYSA-N 1 2 492.045 3.298 20 0 JGADLO COc1cccc2nc(Cl)nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c21 ZINC001164820252 720373552 /nfs/dbraw/zinc/37/35/52/720373552.db2.gz MWCDTQOZBZJDCO-UHFFFAOYSA-N 1 2 487.029 3.370 20 0 JGADLO COc1cccc2nc(Cl)nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c21 ZINC001164820252 720373561 /nfs/dbraw/zinc/37/35/61/720373561.db2.gz MWCDTQOZBZJDCO-UHFFFAOYSA-N 1 2 487.029 3.370 20 0 JGADLO CCc1nc(Cl)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c(Cl)n1 ZINC001164821830 720380302 /nfs/dbraw/zinc/38/03/02/720380302.db2.gz JBOIWHPYOBTJBC-UHFFFAOYSA-N 1 2 469.442 3.424 20 0 JGADLO CCc1nc(Cl)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c(Cl)n1 ZINC001164821830 720380308 /nfs/dbraw/zinc/38/03/08/720380308.db2.gz JBOIWHPYOBTJBC-UHFFFAOYSA-N 1 2 469.442 3.424 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5ccc(F)cc5)nn4)CC3)C2=O)cs1 ZINC001164819732 720380600 /nfs/dbraw/zinc/38/06/00/720380600.db2.gz HQFWIQIJPHAPGV-UHFFFAOYSA-N 1 2 466.586 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5ccc(F)cc5)nn4)CC3)C2=O)cs1 ZINC001164819732 720380606 /nfs/dbraw/zinc/38/06/06/720380606.db2.gz HQFWIQIJPHAPGV-UHFFFAOYSA-N 1 2 466.586 3.361 20 0 JGADLO COc1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c(C)nc2c1 ZINC001164822279 720381336 /nfs/dbraw/zinc/38/13/36/720381336.db2.gz LBPBHAURPSNMKH-UHFFFAOYSA-N 1 2 466.611 3.025 20 0 JGADLO COc1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c(C)nc2c1 ZINC001164822279 720381341 /nfs/dbraw/zinc/38/13/41/720381341.db2.gz LBPBHAURPSNMKH-UHFFFAOYSA-N 1 2 466.611 3.025 20 0 JGADLO CCc1nc2sccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164823742 720382954 /nfs/dbraw/zinc/38/29/54/720382954.db2.gz QAIFORCKIQVNMB-UHFFFAOYSA-N 1 2 456.641 3.332 20 0 JGADLO CCc1nc2sccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164823742 720382958 /nfs/dbraw/zinc/38/29/58/720382958.db2.gz QAIFORCKIQVNMB-UHFFFAOYSA-N 1 2 456.641 3.332 20 0 JGADLO CC(C)c1cc2c(ncnc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)s1 ZINC001164824971 720428930 /nfs/dbraw/zinc/42/89/30/720428930.db2.gz NDFNLNKVWOFIOQ-KRWDZBQOSA-N 1 2 456.616 3.001 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc3ncc(Cl)nc3c1)C2 ZINC001164823448 720439361 /nfs/dbraw/zinc/43/93/61/720439361.db2.gz JYTWAZNNYHHPDN-MRXNPFEDSA-N 1 2 492.958 3.014 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc3nc(Cl)cnc3cc1Cl)C2 ZINC001164826453 720447555 /nfs/dbraw/zinc/44/75/55/720447555.db2.gz WVPADEHJTSXLOW-HNNXBMFYSA-N 1 2 477.396 3.123 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164831309 720461120 /nfs/dbraw/zinc/46/11/20/720461120.db2.gz OQCMLHAZGSGZPC-INIZCTEOSA-N 1 2 492.958 3.014 20 0 JGADLO Cc1cccc(Sc2cncc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)n2)c1 ZINC001164830734 720465686 /nfs/dbraw/zinc/46/56/86/720465686.db2.gz LONBWKDBLBOQOM-HXUWFJFHSA-N 1 2 480.638 3.122 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)Sc1ccc(Cl)nc1)C2 ZINC001164832835 720482302 /nfs/dbraw/zinc/48/23/02/720482302.db2.gz LKVNIZIHQZNXGR-OAHLLOKOSA-N 1 2 473.977 3.059 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1c(Cl)ccc3c(Cl)ncnc31)C2 ZINC001164832608 720482416 /nfs/dbraw/zinc/48/24/16/720482416.db2.gz KCLNSGNVLNFKKK-OAHLLOKOSA-N 1 2 477.396 3.123 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc3cccc(F)c31)C2 ZINC001164834051 720484011 /nfs/dbraw/zinc/48/40/11/720484011.db2.gz QXSXFYUTINYQGE-KRWDZBQOSA-N 1 2 459.953 3.213 20 0 JGADLO O=C(c1cccnc1N1CC[C@H](O)[C@@H]1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164833708 720490917 /nfs/dbraw/zinc/49/09/17/720490917.db2.gz QBWWVTXJXJNAKK-UIOOFZCWSA-N 1 2 456.590 3.222 20 0 JGADLO COC[C@]12CCCO[C@@H]1CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164851612 720827196 /nfs/dbraw/zinc/82/71/96/720827196.db2.gz XNRCLWLURBKWFH-SHQCIBLASA-N 1 2 464.610 3.062 20 0 JGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164858675 720895559 /nfs/dbraw/zinc/89/55/59/720895559.db2.gz NEADSNFKWBLLSN-UHFFFAOYSA-N 1 2 475.862 3.179 20 0 JGADLO CSc1ccc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1Cl ZINC001164855285 720895848 /nfs/dbraw/zinc/89/58/48/720895848.db2.gz AYXFRNIGZLDBLE-UHFFFAOYSA-N 1 2 452.918 3.214 20 0 JGADLO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc1Cl ZINC001164871261 721216875 /nfs/dbraw/zinc/21/68/75/721216875.db2.gz JFRZVSXHUHISCA-UHFFFAOYSA-N 1 2 467.904 3.122 20 0 JGADLO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164875951 721219670 /nfs/dbraw/zinc/21/96/70/721219670.db2.gz YKBIEDJPHPQKHX-FQEVSTJZSA-N 1 2 457.884 3.206 20 0 JGADLO COC(=O)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)cnc1Cl ZINC001164765979 721273077 /nfs/dbraw/zinc/27/30/77/721273077.db2.gz MJLBLBKPPFIIDM-CQSZACIVSA-N 1 2 463.872 3.373 20 0 JGADLO COC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1Cl ZINC001164763146 721273115 /nfs/dbraw/zinc/27/31/15/721273115.db2.gz CFONAOURBOCYFE-CQSZACIVSA-N 1 2 463.872 3.373 20 0 JGADLO CCS(=O)(=O)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)cnc1Cl ZINC001164766338 721277776 /nfs/dbraw/zinc/27/77/76/721277776.db2.gz DOZSRHXMAYFMEU-OAHLLOKOSA-N 1 2 497.955 3.380 20 0 JGADLO O=C(c1ccccc1)N1CCO[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001164883331 721348100 /nfs/dbraw/zinc/34/81/00/721348100.db2.gz LBTGALGLZNXXNV-BVAGGSTKSA-N 1 2 469.589 3.012 20 0 JGADLO O=C(c1ccccc1)N1CCO[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001164883331 721348102 /nfs/dbraw/zinc/34/81/02/721348102.db2.gz LBTGALGLZNXXNV-BVAGGSTKSA-N 1 2 469.589 3.012 20 0 JGADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164786393 721420835 /nfs/dbraw/zinc/42/08/35/721420835.db2.gz OXFMSZYZLBVZHD-HDICACEKSA-N 1 2 485.635 3.306 20 0 JGADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164786393 721420838 /nfs/dbraw/zinc/42/08/38/721420838.db2.gz OXFMSZYZLBVZHD-HDICACEKSA-N 1 2 485.635 3.306 20 0 JGADLO CC(C)C(=O)N1CC[C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC001164894806 721464417 /nfs/dbraw/zinc/46/44/17/721464417.db2.gz YSLUTYDCEILWGS-ZCYQVOJMSA-N 1 2 475.637 3.123 20 0 JGADLO COc1ccc(-c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nn2)c(OC)c1OC ZINC001165011085 721717796 /nfs/dbraw/zinc/71/77/96/721717796.db2.gz NXZYOSUTTKGLSZ-UHFFFAOYSA-N 1 2 467.574 3.011 20 0 JGADLO COc1ccc(-c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nn2)c(OC)c1OC ZINC001165011085 721717803 /nfs/dbraw/zinc/71/78/03/721717803.db2.gz NXZYOSUTTKGLSZ-UHFFFAOYSA-N 1 2 467.574 3.011 20 0 JGADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CC2 ZINC001165015544 721765391 /nfs/dbraw/zinc/76/53/91/721765391.db2.gz QWCQUGXPAWSFOA-UHFFFAOYSA-N 1 2 485.926 3.356 20 0 JGADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001165013955 721766009 /nfs/dbraw/zinc/76/60/09/721766009.db2.gz BSFXJEBBWBKILY-UHFFFAOYSA-N 1 2 485.926 3.356 20 0 JGADLO FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912858 721772032 /nfs/dbraw/zinc/77/20/32/721772032.db2.gz QYWDFTDROREZAP-LJQANCHMSA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912858 721772037 /nfs/dbraw/zinc/77/20/37/721772037.db2.gz QYWDFTDROREZAP-LJQANCHMSA-N 1 2 459.324 3.436 20 0 JGADLO Clc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c(Cl)nc2c1 ZINC001164911217 721777531 /nfs/dbraw/zinc/77/75/31/721777531.db2.gz FSBYVAKYFIBGJZ-QFIPXVFZSA-N 1 2 460.365 3.439 20 0 JGADLO Clc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c(Cl)nc2c1 ZINC001164911217 721777535 /nfs/dbraw/zinc/77/75/35/721777535.db2.gz FSBYVAKYFIBGJZ-QFIPXVFZSA-N 1 2 460.365 3.439 20 0 JGADLO c1cnn(CCCO[C@H]2CC[C@@H]3[C@@H]2OCCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC001165018085 721779690 /nfs/dbraw/zinc/77/96/90/721779690.db2.gz IJQIAMIOVSAURM-ZNZIZOMTSA-N 1 2 474.609 3.075 20 0 JGADLO c1cnn(CCCO[C@H]2CC[C@@H]3[C@@H]2OCCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC001165018085 721779691 /nfs/dbraw/zinc/77/96/91/721779691.db2.gz IJQIAMIOVSAURM-ZNZIZOMTSA-N 1 2 474.609 3.075 20 0 JGADLO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917041 721782968 /nfs/dbraw/zinc/78/29/68/721782968.db2.gz WCWTUEDHGCGYQP-NRFANRHFSA-N 1 2 463.916 3.264 20 0 JGADLO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917041 721782970 /nfs/dbraw/zinc/78/29/70/721782970.db2.gz WCWTUEDHGCGYQP-NRFANRHFSA-N 1 2 463.916 3.264 20 0 JGADLO FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913229 721795768 /nfs/dbraw/zinc/79/57/68/721795768.db2.gz BMDCXXDZHAQVOG-QFIPXVFZSA-N 1 2 475.927 3.331 20 0 JGADLO FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913229 721795772 /nfs/dbraw/zinc/79/57/72/721795772.db2.gz BMDCXXDZHAQVOG-QFIPXVFZSA-N 1 2 475.927 3.331 20 0 JGADLO Fc1ccc(-c2nc(Cl)cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164913445 721795831 /nfs/dbraw/zinc/79/58/31/721795831.db2.gz DFBIUXPBRLCFLS-DEOSSOPVSA-N 1 2 469.948 3.439 20 0 JGADLO Fc1ccc(-c2nc(Cl)cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164913445 721795835 /nfs/dbraw/zinc/79/58/35/721795835.db2.gz DFBIUXPBRLCFLS-DEOSSOPVSA-N 1 2 469.948 3.439 20 0 JGADLO CCN(c1ccccc1)c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164913176 721797833 /nfs/dbraw/zinc/79/78/33/721797833.db2.gz AIIAAGAMROONFS-AREMUKBSSA-N 1 2 460.582 3.137 20 0 JGADLO CCN(c1ccccc1)c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164913176 721797834 /nfs/dbraw/zinc/79/78/34/721797834.db2.gz AIIAAGAMROONFS-AREMUKBSSA-N 1 2 460.582 3.137 20 0 JGADLO COc1ccc(Oc2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc(C)n2)cc1 ZINC001164913166 721799335 /nfs/dbraw/zinc/79/93/35/721799335.db2.gz ACZVOXUENVBKFW-AREMUKBSSA-N 1 2 477.565 3.089 20 0 JGADLO COc1ccc(Oc2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc(C)n2)cc1 ZINC001164913166 721799342 /nfs/dbraw/zinc/79/93/42/721799342.db2.gz ACZVOXUENVBKFW-AREMUKBSSA-N 1 2 477.565 3.089 20 0 JGADLO COc1cccc(Oc2nc(Cl)ncc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914199 721800833 /nfs/dbraw/zinc/80/08/33/721800833.db2.gz KSBVJSZXWWGEOS-VWLOTQADSA-N 1 2 497.983 3.434 20 0 JGADLO COc1cccc(Oc2nc(Cl)ncc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914199 721800835 /nfs/dbraw/zinc/80/08/35/721800835.db2.gz KSBVJSZXWWGEOS-VWLOTQADSA-N 1 2 497.983 3.434 20 0 JGADLO COc1ccc(Oc2nc(Cl)ncc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1 ZINC001164913773 721801049 /nfs/dbraw/zinc/80/10/49/721801049.db2.gz HGOYJOHLMJNURE-VWLOTQADSA-N 1 2 497.983 3.434 20 0 JGADLO COc1ccc(Oc2nc(Cl)ncc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001164913773 721801052 /nfs/dbraw/zinc/80/10/52/721801052.db2.gz HGOYJOHLMJNURE-VWLOTQADSA-N 1 2 497.983 3.434 20 0 JGADLO FC(F)(N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2)C1(c2ccnc(Cl)c2)CC1 ZINC001164913908 721801111 /nfs/dbraw/zinc/80/11/11/721801111.db2.gz ISUDWZROMNWZBJ-OAQYLSRUSA-N 1 2 464.944 3.358 20 0 JGADLO FC(F)(N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2)C1(c2ccnc(Cl)c2)CC1 ZINC001164913908 721801113 /nfs/dbraw/zinc/80/11/13/721801113.db2.gz ISUDWZROMNWZBJ-OAQYLSRUSA-N 1 2 464.944 3.358 20 0 JGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn2)CC1 ZINC001164918494 721820390 /nfs/dbraw/zinc/82/03/90/721820390.db2.gz DZTPAKAOFOQKKC-UHFFFAOYSA-N 1 2 488.564 3.107 20 0 JGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)Cc2nc3c(ncnc3Cl)s2)CC1 ZINC001164919016 721821986 /nfs/dbraw/zinc/82/19/86/721821986.db2.gz KFNDUMYLBDFBNV-UHFFFAOYSA-N 1 2 453.950 3.317 20 0 JGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)Cc2nc3c(ncnc3Cl)s2)CC1 ZINC001164919016 721821989 /nfs/dbraw/zinc/82/19/89/721821989.db2.gz KFNDUMYLBDFBNV-UHFFFAOYSA-N 1 2 453.950 3.317 20 0 JGADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4C)c2c1C ZINC001164936733 721893452 /nfs/dbraw/zinc/89/34/52/721893452.db2.gz ZWQYBIJRTRPRPA-IRXDYDNUSA-N 1 2 471.627 3.362 20 0 JGADLO CCOC(=O)c1cc2c(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4Cc3c(C)noc3C)[nH]c(C)c(C)c-2n1 ZINC001164946472 721949633 /nfs/dbraw/zinc/94/96/33/721949633.db2.gz VTSHISJFPNWRPH-RTWAWAEBSA-N 1 2 453.543 3.051 20 0 JGADLO CCOC(=O)c1cc2c(N3C[C@@H]4[C@H](C3)OCC[N@H+]4Cc3c(C)noc3C)[nH]c(C)c(C)c-2n1 ZINC001164946472 721949637 /nfs/dbraw/zinc/94/96/37/721949637.db2.gz VTSHISJFPNWRPH-RTWAWAEBSA-N 1 2 453.543 3.051 20 0 JGADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944125 721969359 /nfs/dbraw/zinc/96/93/59/721969359.db2.gz GSNZTUOKNRDZNN-UHFFFAOYSA-N 1 2 456.974 3.191 20 0 JGADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944125 721969362 /nfs/dbraw/zinc/96/93/62/721969362.db2.gz GSNZTUOKNRDZNN-UHFFFAOYSA-N 1 2 456.974 3.191 20 0 JGADLO CC(C)(C)c1noc(-c2ccnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2)n1 ZINC001164947061 721977434 /nfs/dbraw/zinc/97/74/34/721977434.db2.gz NLYYQRMEVWKMGL-UHFFFAOYSA-N 1 2 460.582 3.400 20 0 JGADLO CC(C)(C)c1noc(-c2ccnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2)n1 ZINC001164947061 721977436 /nfs/dbraw/zinc/97/74/36/721977436.db2.gz NLYYQRMEVWKMGL-UHFFFAOYSA-N 1 2 460.582 3.400 20 0 JGADLO Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164962733 722028145 /nfs/dbraw/zinc/02/81/45/722028145.db2.gz RPXOPRCQRDOXOC-WXFUMESZSA-N 1 2 461.541 3.384 20 0 JGADLO Fc1cccnc1O[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164962733 722028147 /nfs/dbraw/zinc/02/81/47/722028147.db2.gz RPXOPRCQRDOXOC-WXFUMESZSA-N 1 2 461.541 3.384 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1Cc1c[nH+]ccc1OC ZINC001305793609 1069310032 /nfs/dbraw/zinc/31/00/32/1069310032.db2.gz ZJSDQRLXIMABKH-JOCHJYFZSA-N 1 2 482.560 3.365 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305801392 1069324070 /nfs/dbraw/zinc/32/40/70/1069324070.db2.gz BJSAXDPPLRLWOC-ZJCBTPCYSA-N 1 2 460.667 3.322 20 0 JGADLO CC[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001305805457 1069332196 /nfs/dbraw/zinc/33/21/96/1069332196.db2.gz BSNOKIDWYMTCGS-IEBWSBKVSA-N 1 2 469.565 3.407 20 0 JGADLO CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1)OC ZINC001305849874 1069401702 /nfs/dbraw/zinc/40/17/02/1069401702.db2.gz VJKROAVFKRKJFG-JOCHJYFZSA-N 1 2 485.608 3.035 20 0 JGADLO CCC(O)(CC)Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001305854108 1069408822 /nfs/dbraw/zinc/40/88/22/1069408822.db2.gz NBUMBJQPAYNWBO-UHFFFAOYSA-N 1 2 486.020 3.141 20 0 JGADLO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)O1 ZINC001305858209 1069413473 /nfs/dbraw/zinc/41/34/73/1069413473.db2.gz CIWRNAYOBSFGSC-QHWMMSMNSA-N 1 2 490.737 3.446 20 0 JGADLO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)O1 ZINC001305858210 1069413493 /nfs/dbraw/zinc/41/34/93/1069413493.db2.gz CIWRNAYOBSFGSC-QSEAXJEQSA-N 1 2 490.737 3.446 20 0 JGADLO CCC1(CC)CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001305893373 1069450543 /nfs/dbraw/zinc/45/05/43/1069450543.db2.gz JSGVGRCECKSBSV-RUZDIDTESA-N 1 2 463.667 3.446 20 0 JGADLO CN(CC(=O)NC(C)(C)C)c1nnc([C@@H]2CCCCO2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001298212158 1064128644 /nfs/dbraw/zinc/12/86/44/1064128644.db2.gz NOLNKBHUDOYSIY-FQEVSTJZSA-N 1 2 469.634 3.304 20 0 JGADLO CC(C)(C)OC(=O)N1Cc2sc(C(=O)N[C@@H]3Cc4c[nH+]cn4C3)c(Br)c2C1 ZINC001298232555 1064140398 /nfs/dbraw/zinc/14/03/98/1064140398.db2.gz KFJSTGNELCANJR-SNVBAGLBSA-N 1 2 453.362 3.313 20 0 JGADLO CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H]3Cc4c[nH+]cn4C3)cc2)cc1 ZINC001298232830 1064140435 /nfs/dbraw/zinc/14/04/35/1064140435.db2.gz UXTCEHLJOZLQKG-HXUWFJFHSA-N 1 2 452.580 3.014 20 0 JGADLO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(CC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001298398991 1064233839 /nfs/dbraw/zinc/23/38/39/1064233839.db2.gz CLYKQHFYKAVONJ-UHFFFAOYSA-N 1 2 469.556 3.120 20 0 JGADLO CN(Cc1cnccn1)c1nnc(Cc2cccnc2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001298410849 1064240450 /nfs/dbraw/zinc/24/04/50/1064240450.db2.gz YOUKZDHVCXWQQR-NRFANRHFSA-N 1 2 464.524 3.271 20 0 JGADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)cc1 ZINC001298695539 1064493857 /nfs/dbraw/zinc/49/38/57/1064493857.db2.gz GEOMJPUDCKUMQH-GGAORHGYSA-N 1 2 450.501 3.265 20 0 JGADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(Cc3cccnc3)n1CCN(C)C(=O)OC(C)(C)C)C2 ZINC001298712205 1064518669 /nfs/dbraw/zinc/51/86/69/1064518669.db2.gz HQFJUKXYXOGJCM-UHFFFAOYSA-N 1 2 492.628 3.155 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(F)cc1F ZINC001298734165 1064549882 /nfs/dbraw/zinc/54/98/82/1064549882.db2.gz ZMKJMXLRCOHZQC-UHFFFAOYSA-N 1 2 495.372 3.141 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001298736162 1064550614 /nfs/dbraw/zinc/55/06/14/1064550614.db2.gz BSUHFIDHIJXOBR-UHFFFAOYSA-N 1 2 478.519 3.193 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2Cl)n1CCC(=O)N1CCCCC1 ZINC001298737805 1064553065 /nfs/dbraw/zinc/55/30/65/1064553065.db2.gz YLYMGPGGBYGCOX-UHFFFAOYSA-N 1 2 495.455 3.423 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1CCc1ccn(-c2ccc(F)cc2)n1 ZINC001298738869 1064553829 /nfs/dbraw/zinc/55/38/29/1064553829.db2.gz PIROGCBSFWVIST-UHFFFAOYSA-N 1 2 469.609 3.203 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC1(F)CCC1 ZINC001298740094 1064554173 /nfs/dbraw/zinc/55/41/73/1064554173.db2.gz BAWRHDVRNQIIRX-IBGZPJMESA-N 1 2 480.629 3.401 20 0 JGADLO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001298781297 1064584628 /nfs/dbraw/zinc/58/46/28/1064584628.db2.gz BCTQSDAXBIEDCF-SFHLNBCPSA-N 1 2 493.674 3.108 20 0 JGADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001298822818 1064623675 /nfs/dbraw/zinc/62/36/75/1064623675.db2.gz QHDFUTRMOLIEBQ-NRFANRHFSA-N 1 2 459.635 3.128 20 0 JGADLO Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H]3C[NH+]3CCOCC3)c2)c1 ZINC001298867938 1064671102 /nfs/dbraw/zinc/67/11/02/1064671102.db2.gz BVTAOJSLSRWRPP-NRFANRHFSA-N 1 2 457.596 3.041 20 0 JGADLO CC(C)(C)CCOc1cnccc1CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001298888831 1064698772 /nfs/dbraw/zinc/69/87/72/1064698772.db2.gz YDUIIXSRDQFKGW-UHFFFAOYSA-N 1 2 453.587 3.037 20 0 JGADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CNc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001298909116 1064711589 /nfs/dbraw/zinc/71/15/89/1064711589.db2.gz PSRHANXNVKFUAX-SFHVURJKSA-N 1 2 456.509 3.271 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[N@@H+]1CCOC[C@H]1C ZINC001298954223 1064745202 /nfs/dbraw/zinc/74/52/02/1064745202.db2.gz ABHYFNGNUCPLEN-HZPDHXFCSA-N 1 2 491.061 3.352 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[N@H+]1CCOC[C@H]1C ZINC001298954223 1064745212 /nfs/dbraw/zinc/74/52/12/1064745212.db2.gz ABHYFNGNUCPLEN-HZPDHXFCSA-N 1 2 491.061 3.352 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001298964416 1064751338 /nfs/dbraw/zinc/75/13/38/1064751338.db2.gz BNFWIIWKTBLHKD-LJQANCHMSA-N 1 2 477.613 3.206 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001298965004 1064752351 /nfs/dbraw/zinc/75/23/51/1064752351.db2.gz LXYSLZUJTUBGTO-SJORKVTESA-N 1 2 481.670 3.459 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001298965002 1064752365 /nfs/dbraw/zinc/75/23/65/1064752365.db2.gz LXYSLZUJTUBGTO-IAGOWNOFSA-N 1 2 481.670 3.459 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001298966525 1064755884 /nfs/dbraw/zinc/75/58/84/1064755884.db2.gz MOEUAJMLHHACJV-KBXCAEBGSA-N 1 2 491.974 3.393 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001298967828 1064757835 /nfs/dbraw/zinc/75/78/35/1064757835.db2.gz RXYWKWOLXZYQCY-SFHVURJKSA-N 1 2 465.602 3.344 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(CC2CCCC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001298995036 1064777341 /nfs/dbraw/zinc/77/73/41/1064777341.db2.gz ZXGFLUMTDGRKMU-KRWDZBQOSA-N 1 2 453.566 3.202 20 0 JGADLO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNc2cccc[nH+]2)C1 ZINC001299037080 1064824970 /nfs/dbraw/zinc/82/49/70/1064824970.db2.gz ABYGHIWHHDJBHF-BSWQBHCVSA-N 1 2 469.634 3.056 20 0 JGADLO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001299086855 1064893051 /nfs/dbraw/zinc/89/30/51/1064893051.db2.gz MIXKGAIAEQQLHC-PXNSSMCTSA-N 1 2 488.608 3.474 20 0 JGADLO CNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001299097830 1064902498 /nfs/dbraw/zinc/90/24/98/1064902498.db2.gz FUVABZFTZWRKRU-UHFFFAOYSA-N 1 2 489.624 3.446 20 0 JGADLO CNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCNc2cccc[nH+]2)CC1 ZINC001299125128 1064932720 /nfs/dbraw/zinc/93/27/20/1064932720.db2.gz VLYHSZUXXSFUHX-UHFFFAOYSA-N 1 2 477.613 3.334 20 0 JGADLO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001299128767 1064936403 /nfs/dbraw/zinc/93/64/03/1064936403.db2.gz OXULDTLQHQKMMZ-GCJKJVERSA-N 1 2 499.015 3.359 20 0 JGADLO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001299128766 1064936415 /nfs/dbraw/zinc/93/64/15/1064936415.db2.gz OXULDTLQHQKMMZ-AVRDEDQJSA-N 1 2 499.015 3.359 20 0 JGADLO CO[C@]1(C)CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001299774044 1064975022 /nfs/dbraw/zinc/97/50/22/1064975022.db2.gz UQHKEBMDJCPNDI-PXDATVDWSA-N 1 2 457.619 3.282 20 0 JGADLO COc1cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@]2(C)CCCS2)cc(OC)c1OC ZINC001299841074 1065036586 /nfs/dbraw/zinc/03/65/86/1065036586.db2.gz JOISOKNPXQMGJC-XMMPIXPASA-N 1 2 491.658 3.025 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N(C)OC2CCCC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001299897403 1065131265 /nfs/dbraw/zinc/13/12/65/1065131265.db2.gz DPSGGEAMRAVCSS-UHFFFAOYSA-N 1 2 477.009 3.082 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CCOC[C@H]1C ZINC001299898832 1065133774 /nfs/dbraw/zinc/13/37/74/1065133774.db2.gz SYSXVKULNOSSPU-MSOLQXFVSA-N 1 2 464.010 3.048 20 0 JGADLO COc1cc(Cl)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001299911462 1065160729 /nfs/dbraw/zinc/16/07/29/1065160729.db2.gz JTLAPNRTQLZJKH-UHFFFAOYSA-N 1 2 484.004 3.150 20 0 JGADLO COc1cc(N(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)cc(OC)c1OC ZINC001299923688 1065177979 /nfs/dbraw/zinc/17/79/79/1065177979.db2.gz MYWRUYQCNTUFSR-QGZVFWFLSA-N 1 2 468.558 3.085 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001299950454 1065225906 /nfs/dbraw/zinc/22/59/06/1065225906.db2.gz AAFGZFCEIPSUIQ-JOCHJYFZSA-N 1 2 466.586 3.333 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N3CC[NH+](Cc4cnc(C)s4)CC3)n2CC(C)(C)OC)c1 ZINC001299950537 1065225971 /nfs/dbraw/zinc/22/59/71/1065225971.db2.gz CRWGBPORJQJELA-UHFFFAOYSA-N 1 2 486.642 3.474 20 0 JGADLO COc1ccc(Br)c(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2C[C@H](C)OC)c1 ZINC001299973589 1065261984 /nfs/dbraw/zinc/26/19/84/1065261984.db2.gz KOJPLVYBBHHBIU-INIZCTEOSA-N 1 2 487.402 3.473 20 0 JGADLO COc1ccc(Br)c(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2C[C@@H](C)OC)c1 ZINC001299973591 1065262045 /nfs/dbraw/zinc/26/20/45/1065262045.db2.gz KOJPLVYBBHHBIU-MRXNPFEDSA-N 1 2 487.402 3.473 20 0 JGADLO COc1ccc(Br)cc1Cn1c(C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001299976222 1065272467 /nfs/dbraw/zinc/27/24/67/1065272467.db2.gz AJJXZPMXKWNEQJ-UHFFFAOYSA-N 1 2 461.364 3.025 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC3CC(F)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001492236685 1065336825 /nfs/dbraw/zinc/33/68/25/1065336825.db2.gz DLTNBBCVSLNEBG-UHFFFAOYSA-N 1 2 472.609 3.442 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC3CC(F)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001492236685 1065336834 /nfs/dbraw/zinc/33/68/34/1065336834.db2.gz DLTNBBCVSLNEBG-UHFFFAOYSA-N 1 2 472.609 3.442 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001492240364 1065338073 /nfs/dbraw/zinc/33/80/73/1065338073.db2.gz JTAXORCYTLZISS-OAQYLSRUSA-N 1 2 484.645 3.121 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001492240364 1065338084 /nfs/dbraw/zinc/33/80/84/1065338084.db2.gz JTAXORCYTLZISS-OAQYLSRUSA-N 1 2 484.645 3.121 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC3CC(F)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001492329405 1065399768 /nfs/dbraw/zinc/39/97/68/1065399768.db2.gz GUXFNXUHQUHXRT-UHFFFAOYSA-N 1 2 458.626 3.376 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC3CC(F)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001492329405 1065399777 /nfs/dbraw/zinc/39/97/77/1065399777.db2.gz GUXFNXUHQUHXRT-UHFFFAOYSA-N 1 2 458.626 3.376 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1C ZINC001492336313 1065402668 /nfs/dbraw/zinc/40/26/68/1065402668.db2.gz ADWNOHSBKVJTIP-IRFCIJBXSA-N 1 2 497.562 3.351 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1C ZINC001492336313 1065402679 /nfs/dbraw/zinc/40/26/79/1065402679.db2.gz ADWNOHSBKVJTIP-IRFCIJBXSA-N 1 2 497.562 3.351 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@H+]2CCOC[C@H]2C)cc1C ZINC001492332356 1065402816 /nfs/dbraw/zinc/40/28/16/1065402816.db2.gz YFDHERZFTSQWIZ-FYYLOGMGSA-N 1 2 457.619 3.200 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@@H+]2CCOC[C@H]2C)cc1C ZINC001492332356 1065402820 /nfs/dbraw/zinc/40/28/20/1065402820.db2.gz YFDHERZFTSQWIZ-FYYLOGMGSA-N 1 2 457.619 3.200 20 0 JGADLO Cc1c(CN(C)c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)cnn1C ZINC001492445996 1065500414 /nfs/dbraw/zinc/50/04/14/1065500414.db2.gz NBQIVGXGAOSWJK-LJQANCHMSA-N 1 2 469.659 3.278 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCC(C(N)=O)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001492456473 1065506209 /nfs/dbraw/zinc/50/62/09/1065506209.db2.gz OVDLPGCNQDIJFH-UHFFFAOYSA-N 1 2 465.627 3.090 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCC(CCC(N)=O)CC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001492456049 1065506364 /nfs/dbraw/zinc/50/63/64/1065506364.db2.gz GFBLPNLUWNEUIV-FQEVSTJZSA-N 1 2 486.686 3.081 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCC(CCC(N)=O)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001492456049 1065506380 /nfs/dbraw/zinc/50/63/80/1065506380.db2.gz GFBLPNLUWNEUIV-FQEVSTJZSA-N 1 2 486.686 3.081 20 0 JGADLO Cc1cccc(C(=O)NCCn2c(CC(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)c1 ZINC001492478927 1065507636 /nfs/dbraw/zinc/50/76/36/1065507636.db2.gz VOFUFLLGUMBINK-UHFFFAOYSA-N 1 2 461.614 3.239 20 0 JGADLO CO[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@@H]1C ZINC001300797029 1065528485 /nfs/dbraw/zinc/52/84/85/1065528485.db2.gz VSBZPIUSQWJIAV-HNAYVOBHSA-N 1 2 488.434 3.417 20 0 JGADLO CO[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@@H]1C ZINC001300849941 1065593043 /nfs/dbraw/zinc/59/30/43/1065593043.db2.gz PDCDAFGAGPTTQL-WJMWBRGCSA-N 1 2 499.660 3.419 20 0 JGADLO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)C1 ZINC001300873736 1065650989 /nfs/dbraw/zinc/65/09/89/1065650989.db2.gz MAWHFZOCWBTKHA-LJQANCHMSA-N 1 2 450.608 3.390 20 0 JGADLO C[N@H+]1CCCC[C@H](CNC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)C1 ZINC001300873736 1065650994 /nfs/dbraw/zinc/65/09/94/1065650994.db2.gz MAWHFZOCWBTKHA-LJQANCHMSA-N 1 2 450.608 3.390 20 0 JGADLO COCC(C)(C)CCCn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001300915065 1065715476 /nfs/dbraw/zinc/71/54/76/1065715476.db2.gz QUMCKOVSPADTRE-OAQYLSRUSA-N 1 2 486.661 3.432 20 0 JGADLO COCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001300933948 1065734897 /nfs/dbraw/zinc/73/48/97/1065734897.db2.gz BDYHFVYVWDIXHO-UHFFFAOYSA-N 1 2 484.601 3.254 20 0 JGADLO COCC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N(C)CC[NH+]1CCOCC1 ZINC001300934543 1065735909 /nfs/dbraw/zinc/73/59/09/1065735909.db2.gz WHPBQEGKQQEDJO-UHFFFAOYSA-N 1 2 484.414 3.288 20 0 JGADLO COCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001300945119 1065748488 /nfs/dbraw/zinc/74/84/88/1065748488.db2.gz JFDKLPLESRFEEF-UHFFFAOYSA-N 1 2 478.645 3.485 20 0 JGADLO COC[C@@H](C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001300988136 1065801545 /nfs/dbraw/zinc/80/15/45/1065801545.db2.gz SCVWZBVIXDGCJA-SFHVURJKSA-N 1 2 483.642 3.287 20 0 JGADLO COC[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001300991664 1065807841 /nfs/dbraw/zinc/80/78/41/1065807841.db2.gz JJFHEJRHCONYCZ-CBQOVEMMSA-N 1 2 478.037 3.260 20 0 JGADLO COCC1(C)CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001301076309 1065925630 /nfs/dbraw/zinc/92/56/30/1065925630.db2.gz ACNBMQWEJRTTBZ-UHFFFAOYSA-N 1 2 483.661 3.493 20 0 JGADLO COCC1=CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001301184938 1066014594 /nfs/dbraw/zinc/01/45/94/1066014594.db2.gz XZLJEHXGLGLKAF-RBUKOAKNSA-N 1 2 459.566 3.061 20 0 JGADLO COCC1=CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001301184938 1066014608 /nfs/dbraw/zinc/01/46/08/1066014608.db2.gz XZLJEHXGLGLKAF-RBUKOAKNSA-N 1 2 459.566 3.061 20 0 JGADLO COCC1=CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001301184936 1066014683 /nfs/dbraw/zinc/01/46/83/1066014683.db2.gz XZLJEHXGLGLKAF-MOPGFXCFSA-N 1 2 459.566 3.061 20 0 JGADLO COCC1=CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001301184936 1066014690 /nfs/dbraw/zinc/01/46/90/1066014690.db2.gz XZLJEHXGLGLKAF-MOPGFXCFSA-N 1 2 459.566 3.061 20 0 JGADLO COCC1=CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001301184939 1066015152 /nfs/dbraw/zinc/01/51/52/1066015152.db2.gz XZLJEHXGLGLKAF-RTBURBONSA-N 1 2 459.566 3.061 20 0 JGADLO COCC1=CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001301184939 1066015160 /nfs/dbraw/zinc/01/51/60/1066015160.db2.gz XZLJEHXGLGLKAF-RTBURBONSA-N 1 2 459.566 3.061 20 0 JGADLO COCc1nocc1Cn1c(C(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001301216551 1066039289 /nfs/dbraw/zinc/03/92/89/1066039289.db2.gz MNOCUNISXZCFIT-UHFFFAOYSA-N 1 2 454.579 3.133 20 0 JGADLO COC[C@@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2Cc2c[nH+]ccc2OC)C1 ZINC001301260444 1066074777 /nfs/dbraw/zinc/07/47/77/1066074777.db2.gz ACHYIAKYFYCVSG-OAHLLOKOSA-N 1 2 475.391 3.361 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](COC)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001301285997 1066094146 /nfs/dbraw/zinc/09/41/46/1066094146.db2.gz NFYXAYAWLSMDFD-CFFRYYMNSA-N 1 2 493.599 3.446 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](COC)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001301286007 1066094269 /nfs/dbraw/zinc/09/42/69/1066094269.db2.gz NFYXAYAWLSMDFD-KQKOIIKASA-N 1 2 493.599 3.446 20 0 JGADLO COC[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001301343461 1066134197 /nfs/dbraw/zinc/13/41/97/1066134197.db2.gz PHXLACXPIOJRCS-IBGZPJMESA-N 1 2 475.659 3.163 20 0 JGADLO COC[C@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001301343461 1066134203 /nfs/dbraw/zinc/13/42/03/1066134203.db2.gz PHXLACXPIOJRCS-IBGZPJMESA-N 1 2 475.659 3.163 20 0 JGADLO COC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCCNc2cccc[nH+]2)C[C@@H](C)O1 ZINC001301376968 1066170599 /nfs/dbraw/zinc/17/05/99/1066170599.db2.gz WEBVLKUOGVBQGF-WIYYLYMNSA-N 1 2 452.559 3.091 20 0 JGADLO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCCNc2cccc[nH+]2)C[C@@H](C)O1 ZINC001301376964 1066170613 /nfs/dbraw/zinc/17/06/13/1066170613.db2.gz WEBVLKUOGVBQGF-NQIIRXRSSA-N 1 2 452.559 3.091 20 0 JGADLO COC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001301400562 1066181285 /nfs/dbraw/zinc/18/12/85/1066181285.db2.gz XVKSRABFZCDHBQ-FXAWDEMLSA-N 1 2 477.581 3.363 20 0 JGADLO CC(=O)NCCN(Cc1ccsc1)c1nnc(C)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001301948228 1066240914 /nfs/dbraw/zinc/24/09/14/1066240914.db2.gz GCTAUNTZYXLXTP-XMMPIXPASA-N 1 2 482.654 3.173 20 0 JGADLO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001301948060 1066241123 /nfs/dbraw/zinc/24/11/23/1066241123.db2.gz JWRUDQCCTLUUAY-NRFANRHFSA-N 1 2 483.642 3.233 20 0 JGADLO COCCO[C@H](C)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001301970182 1066276835 /nfs/dbraw/zinc/27/68/35/1066276835.db2.gz QNBMZPZQJNJWTP-KCZVDYSFSA-N 1 2 472.634 3.297 20 0 JGADLO COCC[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001301458766 1066277554 /nfs/dbraw/zinc/27/75/54/1066277554.db2.gz GCVYTCFDMMOASP-HHHXNRCGSA-N 1 2 494.640 3.285 20 0 JGADLO C[S@](=O)Cc1cccc(C(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)c1 ZINC001301977393 1066283139 /nfs/dbraw/zinc/28/31/39/1066283139.db2.gz GQFHFOKRMFKISV-YTTGMZPUSA-N 1 2 458.584 3.270 20 0 JGADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CCC(C)(F)F)CC1 ZINC001301980620 1066287915 /nfs/dbraw/zinc/28/79/15/1066287915.db2.gz DUCQYWXROWRERB-HXUWFJFHSA-N 1 2 490.599 3.078 20 0 JGADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccccc2F)CC1 ZINC001301981219 1066289177 /nfs/dbraw/zinc/28/91/77/1066289177.db2.gz JRYWISKLQZRQPV-HXUWFJFHSA-N 1 2 470.637 3.381 20 0 JGADLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nnc(-c3cccn3C)n2CCSC(F)(F)F)CC1 ZINC001301984827 1066295116 /nfs/dbraw/zinc/29/51/16/1066295116.db2.gz WDOSNWKHQIJHLJ-MRXNPFEDSA-N 1 2 499.607 3.106 20 0 JGADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001301987633 1066302744 /nfs/dbraw/zinc/30/27/44/1066302744.db2.gz ASMVIXOLHKCJPA-ROUUACIJSA-N 1 2 460.648 3.237 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001301990489 1066308810 /nfs/dbraw/zinc/30/88/10/1066308810.db2.gz PPXURUFOBIAIPU-QKNQBKEWSA-N 1 2 493.674 3.141 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001301990489 1066308829 /nfs/dbraw/zinc/30/88/29/1066308829.db2.gz PPXURUFOBIAIPU-QKNQBKEWSA-N 1 2 493.674 3.141 20 0 JGADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001301991364 1066311427 /nfs/dbraw/zinc/31/14/27/1066311427.db2.gz NPBMSMJXLKYSHC-OPYAIIAOSA-N 1 2 472.615 3.012 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001301991573 1066311591 /nfs/dbraw/zinc/31/15/91/1066311591.db2.gz UVVSDSNAEFSVHU-XPNTWCBSSA-N 1 2 487.645 3.079 20 0 JGADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001301991803 1066312936 /nfs/dbraw/zinc/31/29/36/1066312936.db2.gz YCVIVXXEZBKJHW-OALUTQOASA-N 1 2 483.642 3.032 20 0 JGADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001301994390 1066320351 /nfs/dbraw/zinc/32/03/51/1066320351.db2.gz COKFQPZQKIRURB-MSOLQXFVSA-N 1 2 462.664 3.168 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC(C(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302011861 1066355498 /nfs/dbraw/zinc/35/54/98/1066355498.db2.gz XCCBUIWLRSDQDG-HYBUGGRVSA-N 1 2 481.707 3.082 20 0 JGADLO Cc1ccc(C(=O)N[C@H](CO)c2c[nH+]cn2C)cc1NC(=O)c1ccc(Br)cc1 ZINC001301547693 1066376986 /nfs/dbraw/zinc/37/69/86/1066376986.db2.gz OWMCFJCVQVKQLC-GOSISDBHSA-N 1 2 457.328 3.207 20 0 JGADLO COCCCCn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001301562601 1066387432 /nfs/dbraw/zinc/38/74/32/1066387432.db2.gz AGHLWDFRHVNPAP-NRFANRHFSA-N 1 2 468.646 3.249 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC1(O)CCCCCC1 ZINC001302040559 1066413548 /nfs/dbraw/zinc/41/35/48/1066413548.db2.gz BZBGYURWCVWJDQ-LJQANCHMSA-N 1 2 472.634 3.111 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(OC)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001302051490 1066438135 /nfs/dbraw/zinc/43/81/35/1066438135.db2.gz GMULJULPPGQQSG-NTKDMRAZSA-N 1 2 456.591 3.288 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302067171 1066469559 /nfs/dbraw/zinc/46/95/59/1066469559.db2.gz XVZURABDUNIQIK-BWKNWUBXSA-N 1 2 461.651 3.440 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1Cc1c[nH+]ccc1OC ZINC001302080194 1066495947 /nfs/dbraw/zinc/49/59/47/1066495947.db2.gz BYEMKDMARRSTCG-QGZVFWFLSA-N 1 2 488.539 3.059 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302083710 1066506021 /nfs/dbraw/zinc/50/60/21/1066506021.db2.gz IVFSISJUOGLJTH-UXHICEINSA-N 1 2 497.619 3.366 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1Cc1ncccc1C ZINC001302084566 1066508030 /nfs/dbraw/zinc/50/80/30/1066508030.db2.gz MLRFUADNYKRTSK-OAQYLSRUSA-N 1 2 494.644 3.302 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1ccc(F)c(F)c1 ZINC001302084627 1066508497 /nfs/dbraw/zinc/50/84/97/1066508497.db2.gz NELBGSGLYLAJGC-KRWDZBQOSA-N 1 2 458.513 3.050 20 0 JGADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301656628 1066525960 /nfs/dbraw/zinc/52/59/60/1066525960.db2.gz ZEPMHCJRBBBHCB-KNKQGSTJSA-N 1 2 490.599 3.058 20 0 JGADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2[C@@H]2C[C@@H]2C)CC1 ZINC001301659565 1066528384 /nfs/dbraw/zinc/52/83/84/1066528384.db2.gz LSPBVJIEQAPWLL-SXWKCWPCSA-N 1 2 482.673 3.487 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302109616 1066547979 /nfs/dbraw/zinc/54/79/79/1066547979.db2.gz AQWIXCPTIZWLCN-YYTDSSBASA-N 1 2 489.686 3.406 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCSCC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001302112842 1066553802 /nfs/dbraw/zinc/55/38/02/1066553802.db2.gz RUYBWVSTUCYRRA-LJQANCHMSA-N 1 2 460.648 3.235 20 0 JGADLO COCCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001301683136 1066566008 /nfs/dbraw/zinc/56/60/08/1066566008.db2.gz LPZZXDKUFOPDQD-RTBURBONSA-N 1 2 484.576 3.308 20 0 JGADLO CC(C)(C)Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001302133256 1066578681 /nfs/dbraw/zinc/57/86/81/1066578681.db2.gz XJNDMCQUOVGSKB-GOSISDBHSA-N 1 2 493.578 3.415 20 0 JGADLO COCCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001301692111 1066579792 /nfs/dbraw/zinc/57/97/92/1066579792.db2.gz VDWAUXIGQZHNTG-HXUWFJFHSA-N 1 2 456.978 3.150 20 0 JGADLO COCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001301697882 1066586375 /nfs/dbraw/zinc/58/63/75/1066586375.db2.gz GZWTUGDCQMDTPD-HSZRJFAPSA-N 1 2 450.587 3.113 20 0 JGADLO CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC001301700350 1066589725 /nfs/dbraw/zinc/58/97/25/1066589725.db2.gz WSIAGJSJDJMAMI-XMMPIXPASA-N 1 2 482.673 3.307 20 0 JGADLO CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302163763 1066624056 /nfs/dbraw/zinc/62/40/56/1066624056.db2.gz PWAZVQANCACTTM-FQEVSTJZSA-N 1 2 453.635 3.392 20 0 JGADLO COc1ccc([C@@H]2CN(C(=O)c3cc(NC(=O)OCC(F)(F)F)ccc3O)CC[NH2+]2)cc1 ZINC001302181468 1066659352 /nfs/dbraw/zinc/65/93/52/1066659352.db2.gz DNFLYHJUDKBMOB-KRWDZBQOSA-N 1 2 453.417 3.298 20 0 JGADLO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC001301757503 1066690998 /nfs/dbraw/zinc/69/09/98/1066690998.db2.gz VABDYULLXRSCJY-FQEVSTJZSA-N 1 2 486.686 3.047 20 0 JGADLO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCNc2cccc[nH+]2)[C@H](C)C1 ZINC001301757677 1066691686 /nfs/dbraw/zinc/69/16/86/1066691686.db2.gz BNMZUZFNTITUFP-OAQYLSRUSA-N 1 2 477.613 3.428 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)CCC(F)F)CC1 ZINC001301762861 1066701875 /nfs/dbraw/zinc/70/18/75/1066701875.db2.gz CDQJSOBOHDMHMK-INIZCTEOSA-N 1 2 484.979 3.327 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)C2CCC2)CC1 ZINC001301763949 1066704196 /nfs/dbraw/zinc/70/41/96/1066704196.db2.gz KVXMFQRMWONCHK-HXUWFJFHSA-N 1 2 454.619 3.188 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCC(F)(F)CC2)CC1 ZINC001301764072 1066704807 /nfs/dbraw/zinc/70/48/07/1066704807.db2.gz MCGDNVUYJOWHME-FQEVSTJZSA-N 1 2 490.599 3.435 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCC=C(C)C2)CC1 ZINC001301764517 1066705252 /nfs/dbraw/zinc/70/52/52/1066705252.db2.gz QMSBRPOYGCRQNY-LJQANCHMSA-N 1 2 473.021 3.392 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCSC[C@H]2C)CC1 ZINC001301765747 1066706587 /nfs/dbraw/zinc/70/65/87/1066706587.db2.gz YRYFTHHZQZWUKT-MSOLQXFVSA-N 1 2 493.077 3.177 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCSC[C@H]2C)CC1 ZINC001301765751 1066706708 /nfs/dbraw/zinc/70/67/08/1066706708.db2.gz YRYFTHHZQZWUKT-QZTJIDSGSA-N 1 2 493.077 3.177 20 0 JGADLO CC(C)(C)NC(=O)CCn1c(COc2ccccc2F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001302210503 1066709614 /nfs/dbraw/zinc/70/96/14/1066709614.db2.gz FWPZLIBJBQSJCC-UHFFFAOYSA-N 1 2 481.576 3.023 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3C)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001301772095 1066715435 /nfs/dbraw/zinc/71/54/35/1066715435.db2.gz ZTRDUXVBSGLBOM-XMMPIXPASA-N 1 2 482.673 3.125 20 0 JGADLO COCCN(CC(C)C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001301773150 1066717058 /nfs/dbraw/zinc/71/70/58/1066717058.db2.gz WDPSHVILBKLKOF-RTWAWAEBSA-N 1 2 494.681 3.180 20 0 JGADLO COCCN(CC(C)C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001301773150 1066717065 /nfs/dbraw/zinc/71/70/65/1066717065.db2.gz WDPSHVILBKLKOF-RTWAWAEBSA-N 1 2 494.681 3.180 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)cc3)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001301774148 1066719376 /nfs/dbraw/zinc/71/93/76/1066719376.db2.gz AYECARAIYSMDSG-FQEVSTJZSA-N 1 2 497.669 3.026 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CSc3ccc(C)cc3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001301774934 1066720383 /nfs/dbraw/zinc/72/03/83/1066720383.db2.gz JSSZTODHBUSQER-WOJBJXKFSA-N 1 2 456.660 3.135 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CSc3ccc(C)cc3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001301774929 1066720605 /nfs/dbraw/zinc/72/06/05/1066720605.db2.gz JSSZTODHBUSQER-BGYRXZFFSA-N 1 2 456.660 3.135 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@@H](C)c2ccco2)CC1 ZINC001301774898 1066720621 /nfs/dbraw/zinc/72/06/21/1066720621.db2.gz JIWCQEPNPUVMQM-CZTZKLFOSA-N 1 2 472.634 3.151 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3ccccc3F)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001301775114 1066721085 /nfs/dbraw/zinc/72/10/85/1066721085.db2.gz NOUSIUXIXKPCDD-NRFANRHFSA-N 1 2 472.609 3.033 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CCCc3ccccc3)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001301775142 1066721382 /nfs/dbraw/zinc/72/13/82/1066721382.db2.gz NUQQTPFVHSUWHV-FCHUYYIVSA-N 1 2 452.647 3.242 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001301775947 1066721862 /nfs/dbraw/zinc/72/18/62/1066721862.db2.gz SZQYMFXNYUOLNA-HXUWFJFHSA-N 1 2 494.562 3.108 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001301775705 1066721938 /nfs/dbraw/zinc/72/19/38/1066721938.db2.gz SDKIZIYOJZNWRG-RBBKRZOGSA-N 1 2 468.646 3.120 20 0 JGADLO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC(CO)CC2)n1CCCNc1cccc[nH+]1 ZINC001302228062 1066741881 /nfs/dbraw/zinc/74/18/81/1066741881.db2.gz LAWWYZALVSRZSV-FQEVSTJZSA-N 1 2 485.633 3.456 20 0 JGADLO CC(=O)NC1CCC(N(C)c2nnc(C(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001301795200 1066745912 /nfs/dbraw/zinc/74/59/12/1066745912.db2.gz FEXDZMYOMUQNGU-VHYCJAOWSA-N 1 2 468.646 3.186 20 0 JGADLO CC(=O)NC1CCC(N(C)c2nnc(C(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001301795200 1066745915 /nfs/dbraw/zinc/74/59/15/1066745915.db2.gz FEXDZMYOMUQNGU-VHYCJAOWSA-N 1 2 468.646 3.186 20 0 JGADLO COCCN(CC1CC1)c1nnc(-c2ccc(Br)s2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001301795715 1066746927 /nfs/dbraw/zinc/74/69/27/1066746927.db2.gz KCXWDDVMQLNHOA-HNNXBMFYSA-N 1 2 484.464 3.353 20 0 JGADLO CN(CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)c1ccc(C(F)(F)F)cc1C=O ZINC001301800672 1066752665 /nfs/dbraw/zinc/75/26/65/1066752665.db2.gz JOAKIFUAUFMBSD-UHFFFAOYSA-N 1 2 452.502 3.219 20 0 JGADLO O=C(Nc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)c(O)c1)c1cc(F)cc(F)c1 ZINC001301801235 1066752680 /nfs/dbraw/zinc/75/26/80/1066752680.db2.gz COWCBEXTOWVZQI-NRFANRHFSA-N 1 2 453.445 3.415 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302248535 1066781491 /nfs/dbraw/zinc/78/14/91/1066781491.db2.gz PSVFAADWURAFEP-MDKPJZGXSA-N 1 2 482.000 3.152 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302248535 1066781497 /nfs/dbraw/zinc/78/14/97/1066781497.db2.gz PSVFAADWURAFEP-MDKPJZGXSA-N 1 2 482.000 3.152 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(OC)c(C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302251836 1066788444 /nfs/dbraw/zinc/78/84/44/1066788444.db2.gz ZLBGQYPVFRNFAX-GMAHTHKFSA-N 1 2 487.645 3.066 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(OC)c(C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001302251836 1066788451 /nfs/dbraw/zinc/78/84/51/1066788451.db2.gz ZLBGQYPVFRNFAX-GMAHTHKFSA-N 1 2 487.645 3.066 20 0 JGADLO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCNc2cccc[nH+]2)C1 ZINC001302255467 1066798634 /nfs/dbraw/zinc/79/86/34/1066798634.db2.gz DUJSEGXXZXUMFQ-RTBURBONSA-N 1 2 471.606 3.030 20 0 JGADLO CC(=O)N[C@@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301833999 1066801344 /nfs/dbraw/zinc/80/13/44/1066801344.db2.gz WNLGFQBBWFESPW-YLJYHZDGSA-N 1 2 493.077 3.049 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001301855559 1066836017 /nfs/dbraw/zinc/83/60/17/1066836017.db2.gz FBRRYPAWEHUVJT-SFLYRZDNSA-N 1 2 498.672 3.108 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001301855559 1066836026 /nfs/dbraw/zinc/83/60/26/1066836026.db2.gz FBRRYPAWEHUVJT-SFLYRZDNSA-N 1 2 498.672 3.108 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001301855557 1066836149 /nfs/dbraw/zinc/83/61/49/1066836149.db2.gz FBRRYPAWEHUVJT-BKULYWANSA-N 1 2 498.672 3.108 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001301855557 1066836155 /nfs/dbraw/zinc/83/61/55/1066836155.db2.gz FBRRYPAWEHUVJT-BKULYWANSA-N 1 2 498.672 3.108 20 0 JGADLO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301871862 1066866656 /nfs/dbraw/zinc/86/66/56/1066866656.db2.gz JEDXUIDGAQUQGX-LJQANCHMSA-N 1 2 498.031 3.372 20 0 JGADLO CC(C)(C)[S@](=O)CCn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001302326628 1066928055 /nfs/dbraw/zinc/92/80/55/1066928055.db2.gz ROLKHJCTEUTPMF-PGUFJCEWSA-N 1 2 496.681 3.012 20 0 JGADLO CON(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001302328592 1066929530 /nfs/dbraw/zinc/92/95/30/1066929530.db2.gz SFPXHSJSXOYWFF-UHFFFAOYSA-N 1 2 469.977 3.293 20 0 JGADLO CON(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001302332792 1066932195 /nfs/dbraw/zinc/93/21/95/1066932195.db2.gz VYVBAXCROBUXDY-UHFFFAOYSA-N 1 2 456.348 3.337 20 0 JGADLO CON(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302359593 1066951172 /nfs/dbraw/zinc/95/11/72/1066951172.db2.gz HCNRXMLVBCVYKR-QHAWAJNXSA-N 1 2 486.617 3.120 20 0 JGADLO CC(=O)NCCCn1c(-c2ccccc2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001301921587 1066955945 /nfs/dbraw/zinc/95/59/45/1066955945.db2.gz WEGRHWPSSMQQNI-UHFFFAOYSA-N 1 2 476.629 3.328 20 0 JGADLO CO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001302381022 1066964515 /nfs/dbraw/zinc/96/45/15/1066964515.db2.gz SOHQTNCNFCKFEJ-DENIHFKCSA-N 1 2 457.619 3.100 20 0 JGADLO CO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001302381022 1066964523 /nfs/dbraw/zinc/96/45/23/1066964523.db2.gz SOHQTNCNFCKFEJ-DENIHFKCSA-N 1 2 457.619 3.100 20 0 JGADLO CO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001302381023 1066964595 /nfs/dbraw/zinc/96/45/95/1066964595.db2.gz SOHQTNCNFCKFEJ-SIKLNZKXSA-N 1 2 457.619 3.100 20 0 JGADLO CO[C@@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001302381023 1066964601 /nfs/dbraw/zinc/96/46/01/1066964601.db2.gz SOHQTNCNFCKFEJ-SIKLNZKXSA-N 1 2 457.619 3.100 20 0 JGADLO CC(C)=CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001302384080 1066967641 /nfs/dbraw/zinc/96/76/41/1066967641.db2.gz PJSJKHRZCOFGQA-QFIPXVFZSA-N 1 2 457.644 3.167 20 0 JGADLO COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC001301930617 1066968149 /nfs/dbraw/zinc/96/81/49/1066968149.db2.gz MMNMVTCJSCIGNZ-GMAHTHKFSA-N 1 2 497.688 3.449 20 0 JGADLO COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001301941857 1066990081 /nfs/dbraw/zinc/99/00/81/1066990081.db2.gz IXHXIOCVYDPQHG-VXKWHMMOSA-N 1 2 491.640 3.352 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001302408337 1066990655 /nfs/dbraw/zinc/99/06/55/1066990655.db2.gz GEFYFRGFOKSNLJ-PKTZIBPZSA-N 1 2 482.673 3.218 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001302408337 1066990665 /nfs/dbraw/zinc/99/06/65/1066990665.db2.gz GEFYFRGFOKSNLJ-PKTZIBPZSA-N 1 2 482.673 3.218 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001302408695 1066991596 /nfs/dbraw/zinc/99/15/96/1066991596.db2.gz JMJXQXCKFWLRKC-DHIUTWEWSA-N 1 2 468.646 3.044 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001302408695 1066991606 /nfs/dbraw/zinc/99/16/06/1066991606.db2.gz JMJXQXCKFWLRKC-DHIUTWEWSA-N 1 2 468.646 3.044 20 0 JGADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001302432151 1067021307 /nfs/dbraw/zinc/02/13/07/1067021307.db2.gz ZFUAEYPTPLRIAX-ISKFKSNPSA-N 1 2 482.673 3.464 20 0 JGADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001302432154 1067021332 /nfs/dbraw/zinc/02/13/32/1067021332.db2.gz ZFUAEYPTPLRIAX-VWNXMTODSA-N 1 2 482.673 3.464 20 0 JGADLO CS(=O)(=O)[C@H]1CCCCN(c2nnc(CC3CCCC3)n2CCCNc2cccc[nH+]2)C1 ZINC001302435021 1067028381 /nfs/dbraw/zinc/02/83/81/1067028381.db2.gz PEAOXSSCWVHWHD-FQEVSTJZSA-N 1 2 460.648 3.312 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@H](C)[NH+]2CCOCC2)c1C ZINC001304018407 1067062045 /nfs/dbraw/zinc/06/20/45/1067062045.db2.gz JIMQJTGVCYMHCL-FCEUIQTBSA-N 1 2 457.619 3.228 20 0 JGADLO CC1=C(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001304029836 1067078110 /nfs/dbraw/zinc/07/81/10/1067078110.db2.gz YRIMUPUBERBHJR-FQEVSTJZSA-N 1 2 487.674 3.259 20 0 JGADLO CC(C)[C@@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001302497214 1067095792 /nfs/dbraw/zinc/09/57/92/1067095792.db2.gz KMRSLMXAMHBHSO-VWLOTQADSA-N 1 2 452.578 3.439 20 0 JGADLO CC(C)[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001302500482 1067098643 /nfs/dbraw/zinc/09/86/43/1067098643.db2.gz JILYMUQEAPHBOC-PXDATVDWSA-N 1 2 484.670 3.242 20 0 JGADLO Cc1nnc(N(C)CC(=O)Nc2c(C)cccc2C)n1C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001304134010 1067173148 /nfs/dbraw/zinc/17/31/48/1067173148.db2.gz UCZXMNRBBBGPOI-HXUWFJFHSA-N 1 2 468.627 3.413 20 0 JGADLO CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302561755 1067201692 /nfs/dbraw/zinc/20/16/92/1067201692.db2.gz INPWOUQSUIHFFN-IBGZPJMESA-N 1 2 498.653 3.282 20 0 JGADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)C2)c1 ZINC001302562267 1067202246 /nfs/dbraw/zinc/20/22/46/1067202246.db2.gz OJMNPPNDUYPUHM-SANMLTNESA-N 1 2 457.574 3.409 20 0 JGADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)C2)c1 ZINC001302562267 1067202255 /nfs/dbraw/zinc/20/22/55/1067202255.db2.gz OJMNPPNDUYPUHM-SANMLTNESA-N 1 2 457.574 3.409 20 0 JGADLO CC(C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@](C)(O)c1ccco1 ZINC001302573849 1067213169 /nfs/dbraw/zinc/21/31/69/1067213169.db2.gz UGGJIKYIVIXEJV-JPYJTQIMSA-N 1 2 459.616 3.473 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cscn3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001304169943 1067217715 /nfs/dbraw/zinc/21/77/15/1067217715.db2.gz XSNGKFHHAMJZLL-LJQANCHMSA-N 1 2 456.616 3.288 20 0 JGADLO CC(C)c1nnc(N(CCO)Cc2cc(Br)ccc2F)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302603505 1067239549 /nfs/dbraw/zinc/23/95/49/1067239549.db2.gz QBLYUHXMUOTDCW-INIZCTEOSA-N 1 2 484.414 3.023 20 0 JGADLO CC(C)c1nnc(N(CCO)Cc2cc(Br)ccc2F)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302603505 1067239554 /nfs/dbraw/zinc/23/95/54/1067239554.db2.gz QBLYUHXMUOTDCW-INIZCTEOSA-N 1 2 484.414 3.023 20 0 JGADLO CC(C)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302607396 1067241850 /nfs/dbraw/zinc/24/18/50/1067241850.db2.gz WMEJBDCZRGGJKW-UHFFFAOYSA-N 1 2 466.508 3.029 20 0 JGADLO Cc1cc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[NH+]2CCOCC2)cs1 ZINC001304214171 1067256927 /nfs/dbraw/zinc/25/69/27/1067256927.db2.gz VIKLGHNXGZUIQN-UHFFFAOYSA-N 1 2 465.421 3.222 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)n2CC(F)(F)F)n1 ZINC001304244952 1067279494 /nfs/dbraw/zinc/27/94/94/1067279494.db2.gz AFLDTOFIIAKSBH-UHFFFAOYSA-N 1 2 477.539 3.250 20 0 JGADLO CC(C)c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001302653360 1067279882 /nfs/dbraw/zinc/27/98/82/1067279882.db2.gz XFXJACOIMVZYDR-FQEVSTJZSA-N 1 2 483.661 3.060 20 0 JGADLO Cc1cc(N2CCN(c3nnc(-c4cccn4C)n3CC[S@](=O)C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245058 1067280186 /nfs/dbraw/zinc/28/01/86/1067280186.db2.gz FOYXGAZZEYAYLZ-DHUJRADRSA-N 1 2 498.701 3.379 20 0 JGADLO Cc1cc(N2CCN(c3nnc(Cc4ccsc4)n3CCNC(=O)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245289 1067280574 /nfs/dbraw/zinc/28/05/74/1067280574.db2.gz KDPXQTNQGSGUEG-UHFFFAOYSA-N 1 2 496.685 3.251 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C(C)C)n3CCNC(=O)c3cccs3)CC2)nc(C(C)C)[nH+]1 ZINC001304245591 1067281224 /nfs/dbraw/zinc/28/12/24/1067281224.db2.gz NAFOSHVIRWSYKS-UHFFFAOYSA-N 1 2 482.658 3.441 20 0 JGADLO CSc1ccccc1CN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302657983 1067286188 /nfs/dbraw/zinc/28/61/88/1067286188.db2.gz LEUGDXFDWYEVFD-UHFFFAOYSA-N 1 2 453.616 3.284 20 0 JGADLO Cc1cccc(O[C@H](C)Cn2c(CC(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC001304255160 1067290404 /nfs/dbraw/zinc/29/04/04/1067290404.db2.gz YOCIKPUHUOPPNE-PKTZIBPZSA-N 1 2 482.673 3.385 20 0 JGADLO CSc1ccccc1CN(C)c1nnc(Cc2ccncc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302663916 1067291008 /nfs/dbraw/zinc/29/10/08/1067291008.db2.gz SQBNFXXAZCBJBP-IBGZPJMESA-N 1 2 452.628 3.343 20 0 JGADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CO)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001304268449 1067301982 /nfs/dbraw/zinc/30/19/82/1067301982.db2.gz LIGPWJMRSXZMEF-NRFANRHFSA-N 1 2 471.646 3.218 20 0 JGADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CO)CC3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001304268449 1067301989 /nfs/dbraw/zinc/30/19/89/1067301989.db2.gz LIGPWJMRSXZMEF-NRFANRHFSA-N 1 2 471.646 3.218 20 0 JGADLO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001304271826 1067307246 /nfs/dbraw/zinc/30/72/46/1067307246.db2.gz DHOBZOYAVZHJSR-NFBKMPQASA-N 1 2 484.645 3.414 20 0 JGADLO CC(C)c1nnc(N2CCN(c3cnccn3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001302683115 1067309026 /nfs/dbraw/zinc/30/90/26/1067309026.db2.gz RHCARUGCHWVPRO-LJQANCHMSA-N 1 2 456.545 3.099 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)[nH+]1 ZINC001302727568 1067343452 /nfs/dbraw/zinc/34/34/52/1067343452.db2.gz RGOZHSDMZKMXLI-ROUUACIJSA-N 1 2 451.662 3.094 20 0 JGADLO CC(C)[C@@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302747557 1067355613 /nfs/dbraw/zinc/35/56/13/1067355613.db2.gz OHWJYNYXDLNILQ-BURNTYAHSA-N 1 2 476.666 3.394 20 0 JGADLO CC(C)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001302764423 1067364640 /nfs/dbraw/zinc/36/46/40/1067364640.db2.gz UPPQUNXABNPRAM-XLIONFOSSA-N 1 2 460.573 3.464 20 0 JGADLO CSCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001302787349 1067379023 /nfs/dbraw/zinc/37/90/23/1067379023.db2.gz DQSRPSXEBVPBPB-FCHUYYIVSA-N 1 2 459.660 3.353 20 0 JGADLO CC(C)[C@@H]1OCCC[C@H]1Cn1c(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001302807548 1067395088 /nfs/dbraw/zinc/39/50/88/1067395088.db2.gz RIBXRQSODQYCRT-HJOGWXRNSA-N 1 2 490.737 3.258 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001304374820 1067413851 /nfs/dbraw/zinc/41/38/51/1067413851.db2.gz FMTBCNFMLKDJER-XMMPIXPASA-N 1 2 498.672 3.367 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2CCC[C@H]2CCCCO2)cc1C ZINC001304376418 1067417761 /nfs/dbraw/zinc/41/77/61/1067417761.db2.gz YDEDHNSKILYCKQ-HSZRJFAPSA-N 1 2 484.645 3.265 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCOC(C)C)cc1C ZINC001304383755 1067432878 /nfs/dbraw/zinc/43/28/78/1067432878.db2.gz KUKFEFFQCDDHTK-UHFFFAOYSA-N 1 2 463.586 3.294 20 0 JGADLO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)[nH+]c2)CCN1C(=O)OC(C)(C)C ZINC001302860271 1067442769 /nfs/dbraw/zinc/44/27/69/1067442769.db2.gz SFCKOJXTASVOOQ-QUCCMNQESA-N 1 2 485.633 3.127 20 0 JGADLO CC(C)Cc1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302875547 1067458748 /nfs/dbraw/zinc/45/87/48/1067458748.db2.gz IRQUIRQGQRQWIL-IBGZPJMESA-N 1 2 455.651 3.363 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)Cc3cscn3)n2C[C@@H](C)[NH+]2CCOCC2)cc1C ZINC001304398029 1067460150 /nfs/dbraw/zinc/46/01/50/1067460150.db2.gz QBKXDTSBXGJXDM-LJQANCHMSA-N 1 2 456.616 3.288 20 0 JGADLO Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)CC2)cc1 ZINC001304399000 1067461470 /nfs/dbraw/zinc/46/14/70/1067461470.db2.gz WMIAHJBOLCSPNR-DEOSSOPVSA-N 1 2 498.672 3.129 20 0 JGADLO Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)CC2)cc1 ZINC001304399001 1067461489 /nfs/dbraw/zinc/46/14/89/1067461489.db2.gz WMIAHJBOLCSPNR-XMMPIXPASA-N 1 2 498.672 3.129 20 0 JGADLO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302880510 1067462018 /nfs/dbraw/zinc/46/20/18/1067462018.db2.gz SGIHGOQORGNOBJ-NTKDMRAZSA-N 1 2 459.610 3.286 20 0 JGADLO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001302880510 1067462024 /nfs/dbraw/zinc/46/20/24/1067462024.db2.gz SGIHGOQORGNOBJ-NTKDMRAZSA-N 1 2 459.610 3.286 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CCSC(F)(F)F)cc1 ZINC001304403529 1067465680 /nfs/dbraw/zinc/46/56/80/1067465680.db2.gz KCZQHWCQNVFKPP-UHFFFAOYSA-N 1 2 459.538 3.187 20 0 JGADLO CC(C)Cc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001302908694 1067493436 /nfs/dbraw/zinc/49/34/36/1067493436.db2.gz ULMCJIMILXSZCK-UHFFFAOYSA-N 1 2 469.634 3.367 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1C ZINC001304420978 1067496627 /nfs/dbraw/zinc/49/66/27/1067496627.db2.gz YLLMVBBNZDYNOJ-UHFFFAOYSA-N 1 2 485.583 3.370 20 0 JGADLO CC(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001302932155 1067507939 /nfs/dbraw/zinc/50/79/39/1067507939.db2.gz WTLPMQREIUYJEG-SFTDATJTSA-N 1 2 465.639 3.322 20 0 JGADLO CC(C)Cc1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001302940211 1067514224 /nfs/dbraw/zinc/51/42/24/1067514224.db2.gz WNMJZBRAOYFOOG-UHFFFAOYSA-N 1 2 453.566 3.154 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCO[C@H](C)C2)cc1 ZINC001304435128 1067514602 /nfs/dbraw/zinc/51/46/02/1067514602.db2.gz RZJFWSVYLLXTLV-RTWAWAEBSA-N 1 2 459.660 3.462 20 0 JGADLO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001302945543 1067518716 /nfs/dbraw/zinc/51/87/16/1067518716.db2.gz HRZFRUQGTUVREL-HXUWFJFHSA-N 1 2 499.660 3.202 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C/C=C\c1ccccc1 ZINC001302948608 1067522398 /nfs/dbraw/zinc/52/23/98/1067522398.db2.gz YTXUWIKZJBDCNI-REBWPMHBSA-N 1 2 450.631 3.323 20 0 JGADLO Cc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CCN(CC(C)C)C(=O)C2)[NH+]2CCOCC2)c1 ZINC001304442110 1067522982 /nfs/dbraw/zinc/52/29/82/1067522982.db2.gz GZGHYWSCFXZTSY-XMMPIXPASA-N 1 2 482.673 3.163 20 0 JGADLO Cc1cccc([C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCC(C)C)[NH+]2CCOCC2)c1 ZINC001304442447 1067523692 /nfs/dbraw/zinc/52/36/92/1067523692.db2.gz KMRIPRMHQIRORL-FCHUYYIVSA-N 1 2 454.619 3.093 20 0 JGADLO Cc1cccc([C@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@@H](C)CC(N)=O)[NH+]2CCOCC2)c1 ZINC001304442464 1067523787 /nfs/dbraw/zinc/52/37/87/1067523787.db2.gz KWIXFIHUNSHZFX-UGKGYDQZSA-N 1 2 482.654 3.012 20 0 JGADLO Cc1cccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)n1 ZINC001304451824 1067532981 /nfs/dbraw/zinc/53/29/81/1067532981.db2.gz QHQCEDNGBZIQPL-LJQANCHMSA-N 1 2 462.602 3.028 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCOC1CCCCCC1 ZINC001302964116 1067534487 /nfs/dbraw/zinc/53/44/87/1067534487.db2.gz BCYCJXLIEDECAM-VWLOTQADSA-N 1 2 490.737 3.447 20 0 JGADLO CN(CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1cccc[nH+]1 ZINC001302974642 1067541159 /nfs/dbraw/zinc/54/11/59/1067541159.db2.gz FXPKKWXAIPJWIM-UHFFFAOYSA-N 1 2 450.992 3.166 20 0 JGADLO Cc1cccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2CCCC(C)C)n1 ZINC001304477988 1067556441 /nfs/dbraw/zinc/55/64/41/1067556441.db2.gz VPHBKDWNTGCZTC-NRFANRHFSA-N 1 2 453.635 3.218 20 0 JGADLO Cc1ccc(-c2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2CCCc2cccc(C)[nH+]2)o1 ZINC001304481526 1067561334 /nfs/dbraw/zinc/56/13/34/1067561334.db2.gz FACCSXBMCDAUFG-UHFFFAOYSA-N 1 2 472.615 3.043 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)[nH+]1 ZINC001304482310 1067561974 /nfs/dbraw/zinc/56/19/74/1067561974.db2.gz PDXPVPXLFADBLK-UHFFFAOYSA-N 1 2 497.550 3.203 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001304483875 1067563231 /nfs/dbraw/zinc/56/32/31/1067563231.db2.gz XXUOGMIQRDHUOB-YLJYHZDGSA-N 1 2 485.633 3.102 20 0 JGADLO Cc1cccc(CCCn2c(-c3cnccn3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)[nH+]1 ZINC001304485735 1067564592 /nfs/dbraw/zinc/56/45/92/1067564592.db2.gz GZWLSEDGVFUMBJ-UHFFFAOYSA-N 1 2 459.476 3.419 20 0 JGADLO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001303011762 1067566460 /nfs/dbraw/zinc/56/64/60/1067566460.db2.gz UWBMRUNXNMDGIU-RXFWQSSRSA-N 1 2 485.677 3.030 20 0 JGADLO Cc1cccc(CCCn2c(N3CCC[C@@H](NC(=O)C(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)[nH+]1 ZINC001304488542 1067567141 /nfs/dbraw/zinc/56/71/41/1067567141.db2.gz KQQFYYCTBXQBNR-YIXXDRMTSA-N 1 2 498.672 3.396 20 0 JGADLO Cc1nc(C)c(Cn2c(COc3cccc(C)c3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304503792 1067577914 /nfs/dbraw/zinc/57/79/14/1067577914.db2.gz JWIHIIVIRHTQCG-UHFFFAOYSA-N 1 2 456.616 3.056 20 0 JGADLO Cc1cccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2Cc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC001304505035 1067579166 /nfs/dbraw/zinc/57/91/66/1067579166.db2.gz WSZLMJNHILGKBQ-UHFFFAOYSA-N 1 2 498.653 3.080 20 0 JGADLO Cc1ccccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1CCOc1ncccc1Cl ZINC001304526507 1067599411 /nfs/dbraw/zinc/59/94/11/1067599411.db2.gz SJPGGLHPSZIJDZ-UHFFFAOYSA-N 1 2 456.978 3.149 20 0 JGADLO Cc1ccccc1-c1nnc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)n1CCSCC(F)(F)F ZINC001304536475 1067606981 /nfs/dbraw/zinc/60/69/81/1067606981.db2.gz CDKUDCHQGNBQDQ-QGZVFWFLSA-N 1 2 496.603 3.338 20 0 JGADLO Cc1ccccc1-c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCOC(C)C ZINC001304536853 1067607802 /nfs/dbraw/zinc/60/78/02/1067607802.db2.gz IPLZPVPWHGGNIX-JOCHJYFZSA-N 1 2 468.646 3.202 20 0 JGADLO Cc1ccccc1Cc1nnc(N(C)CCCS(C)(=O)=O)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001304547088 1067616016 /nfs/dbraw/zinc/61/60/16/1067616016.db2.gz FEHBGQCQANLVHG-UHFFFAOYSA-N 1 2 482.654 3.092 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001304549672 1067619000 /nfs/dbraw/zinc/61/90/00/1067619000.db2.gz AHCLPGFHFFAHSI-GMAHTHKFSA-N 1 2 498.672 3.344 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001304549672 1067619003 /nfs/dbraw/zinc/61/90/03/1067619003.db2.gz AHCLPGFHFFAHSI-GMAHTHKFSA-N 1 2 498.672 3.344 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001304556173 1067624845 /nfs/dbraw/zinc/62/48/45/1067624845.db2.gz GQICHSKOOHYUNS-QFIPXVFZSA-N 1 2 482.654 3.090 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001304558674 1067627636 /nfs/dbraw/zinc/62/76/36/1067627636.db2.gz BSKMSICBQWGHGP-YADHBBJMSA-N 1 2 498.672 3.344 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001304558674 1067627641 /nfs/dbraw/zinc/62/76/41/1067627641.db2.gz BSKMSICBQWGHGP-YADHBBJMSA-N 1 2 498.672 3.344 20 0 JGADLO CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001304595154 1067659618 /nfs/dbraw/zinc/65/96/18/1067659618.db2.gz IUBPENDDPLATMC-FQEVSTJZSA-N 1 2 474.650 3.270 20 0 JGADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1)CCC2 ZINC001304607151 1067674286 /nfs/dbraw/zinc/67/42/86/1067674286.db2.gz UEBZMZYPWFFFBG-HZPDHXFCSA-N 1 2 453.513 3.278 20 0 JGADLO CC(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001303161749 1067698792 /nfs/dbraw/zinc/69/87/92/1067698792.db2.gz BDWHCJUUKFVECF-WOJBJXKFSA-N 1 2 472.609 3.346 20 0 JGADLO Cc1nc(C)c(CCn2c(COc3ccc(F)cc3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304642772 1067711441 /nfs/dbraw/zinc/71/14/41/1067711441.db2.gz WGAABSADLIRFHQ-UHFFFAOYSA-N 1 2 474.606 3.081 20 0 JGADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)CC[C@H]2C)C1 ZINC001303201901 1067737866 /nfs/dbraw/zinc/73/78/66/1067737866.db2.gz RDVXRANBSUVPNB-SJBKTWHCSA-N 1 2 489.686 3.330 20 0 JGADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)CC[C@H]2C)C1 ZINC001303201901 1067737871 /nfs/dbraw/zinc/73/78/71/1067737871.db2.gz RDVXRANBSUVPNB-SJBKTWHCSA-N 1 2 489.686 3.330 20 0 JGADLO Cc1nc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[NH+]2CCOCC2)cs1 ZINC001304679141 1067751893 /nfs/dbraw/zinc/75/18/93/1067751893.db2.gz JCYLZHKQNPCDLA-QGZVFWFLSA-N 1 2 474.606 3.333 20 0 JGADLO CC(C)COc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001303221301 1067758562 /nfs/dbraw/zinc/75/85/62/1067758562.db2.gz XUIJAIUHQFQVCJ-UHFFFAOYSA-N 1 2 477.613 3.221 20 0 JGADLO CC(C)CO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001303230145 1067764621 /nfs/dbraw/zinc/76/46/21/1067764621.db2.gz JZJNDBUASQGVJX-SIKLNZKXSA-N 1 2 462.038 3.494 20 0 JGADLO CC(C)CO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001303230145 1067764628 /nfs/dbraw/zinc/76/46/28/1067764628.db2.gz JZJNDBUASQGVJX-SIKLNZKXSA-N 1 2 462.038 3.494 20 0 JGADLO CC(C)CO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001303230144 1067764782 /nfs/dbraw/zinc/76/47/82/1067764782.db2.gz JZJNDBUASQGVJX-KNQAVFIVSA-N 1 2 462.038 3.494 20 0 JGADLO CC(C)CO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001303230144 1067764793 /nfs/dbraw/zinc/76/47/93/1067764793.db2.gz JZJNDBUASQGVJX-KNQAVFIVSA-N 1 2 462.038 3.494 20 0 JGADLO CC(C)CO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001303230564 1067765068 /nfs/dbraw/zinc/76/50/68/1067765068.db2.gz REPBRRKNEDCPJO-OALUTQOASA-N 1 2 463.573 3.119 20 0 JGADLO Cc1nc(N2CCN(c3nnc(Cc4ccsc4)n3CC(F)(F)Br)CC2)cc[nH+]1 ZINC001304701276 1067772376 /nfs/dbraw/zinc/77/23/76/1067772376.db2.gz DAOHAVMIFCEXEA-UHFFFAOYSA-N 1 2 484.374 3.343 20 0 JGADLO Cc1nc(N2CCN(c3nnc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3CC(F)(F)F)CC2)cc[nH+]1 ZINC001304702138 1067773757 /nfs/dbraw/zinc/77/37/57/1067773757.db2.gz QBGGSANTJLLJRZ-INIZCTEOSA-N 1 2 496.538 3.337 20 0 JGADLO Cc1cc(Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)CC[NH+]2CCOCC2)n(C)n1 ZINC001304729594 1067801199 /nfs/dbraw/zinc/80/11/99/1067801199.db2.gz AYRZXWQALMXPSX-UHFFFAOYSA-N 1 2 481.645 3.013 20 0 JGADLO CC(C)N(Cc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1 ZINC001303289602 1067814445 /nfs/dbraw/zinc/81/44/45/1067814445.db2.gz WWQYCAOQKCJFQD-SFHVURJKSA-N 1 2 458.588 3.085 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccc(C(F)(F)F)cc2C)n1 ZINC001304745420 1067824500 /nfs/dbraw/zinc/82/45/00/1067824500.db2.gz QBTCXOFWKWZPIX-UHFFFAOYSA-N 1 2 491.562 3.284 20 0 JGADLO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001303306811 1067835055 /nfs/dbraw/zinc/83/50/55/1067835055.db2.gz UBQCEEWHVJEQDV-GOSISDBHSA-N 1 2 455.349 3.087 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCSC3(C)C)CC2)C1 ZINC001303318156 1067848783 /nfs/dbraw/zinc/84/87/83/1067848783.db2.gz JHOBPTSDGHTJGJ-NHCUHLMSSA-N 1 2 478.751 3.339 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4cnc(C)s4)CC3)n2CCOC(C)(C)C)n1 ZINC001304765326 1067854870 /nfs/dbraw/zinc/85/48/70/1067854870.db2.gz YSPIBZKAUFVIMQ-UHFFFAOYSA-N 1 2 472.663 3.042 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303330342 1067859430 /nfs/dbraw/zinc/85/94/30/1067859430.db2.gz TUJYFQJXPUSYKV-UHFFFAOYSA-N 1 2 482.551 3.182 20 0 JGADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC001303339691 1067867723 /nfs/dbraw/zinc/86/77/23/1067867723.db2.gz SUYJOBXLGSCHTK-KRWDZBQOSA-N 1 2 452.349 3.165 20 0 JGADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC001303339691 1067867737 /nfs/dbraw/zinc/86/77/37/1067867737.db2.gz SUYJOBXLGSCHTK-KRWDZBQOSA-N 1 2 452.349 3.165 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)CCOc2ccccc2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001303342775 1067871138 /nfs/dbraw/zinc/87/11/38/1067871138.db2.gz XPPHLWFHFBZPMZ-UHFFFAOYSA-N 1 2 477.613 3.365 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CCCNc1cccc[nH+]1 ZINC001303365091 1067892171 /nfs/dbraw/zinc/89/21/71/1067892171.db2.gz OZEVFQWEKYOVSK-IBGZPJMESA-N 1 2 451.550 3.447 20 0 JGADLO Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001304850536 1067904023 /nfs/dbraw/zinc/90/40/23/1067904023.db2.gz MAKDNIMMALWCJJ-UHFFFAOYSA-N 1 2 454.623 3.040 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1c(F)cccc1Cl ZINC001303378722 1067908170 /nfs/dbraw/zinc/90/81/70/1067908170.db2.gz KFXGEUIBSFFUEK-UHFFFAOYSA-N 1 2 471.968 3.281 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001303407564 1067934477 /nfs/dbraw/zinc/93/44/77/1067934477.db2.gz GQENFNZYXDDLQH-ICSRJNTNSA-N 1 2 475.037 3.065 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001303411252 1067937704 /nfs/dbraw/zinc/93/77/04/1067937704.db2.gz KPCJTJMDEFVWOM-RUZDIDTESA-N 1 2 469.634 3.101 20 0 JGADLO CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C[C@H]1C1CC1 ZINC001303413414 1067939445 /nfs/dbraw/zinc/93/94/45/1067939445.db2.gz BADGCTSEQQFRBG-LEWJYISDSA-N 1 2 452.555 3.352 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCC(=O)NC3CCCCC3)CC2)on1 ZINC001304899297 1067943201 /nfs/dbraw/zinc/94/32/01/1067943201.db2.gz CEIAKAQBYCKZMZ-UHFFFAOYSA-N 1 2 457.623 3.033 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4ccccn4)n3CC(C)(C)NC(=O)OC(C)(C)C)CC2)on1 ZINC001304900094 1067943660 /nfs/dbraw/zinc/94/36/60/1067943660.db2.gz LRDSGKJFEBCAAF-UHFFFAOYSA-N 1 2 496.616 3.262 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4ccccc4F)n3CCCOCC(F)F)CC2)on1 ZINC001304899699 1067943688 /nfs/dbraw/zinc/94/36/88/1067943688.db2.gz GFBSKLGLYACHHQ-UHFFFAOYSA-N 1 2 464.492 3.375 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(C)n3CCNc3ncc(Cl)cc3Cl)CC2)on1 ZINC001304901023 1067944666 /nfs/dbraw/zinc/94/46/66/1067944666.db2.gz YFDCSBZJVWZUIZ-UHFFFAOYSA-N 1 2 451.362 3.019 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3CCC(=O)Nc3ccccc3)CC2)on1 ZINC001304901806 1067945708 /nfs/dbraw/zinc/94/57/08/1067945708.db2.gz MIVQPSGNIJHFQA-UHFFFAOYSA-N 1 2 451.575 3.124 20 0 JGADLO CC(C)NC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001303427762 1067952690 /nfs/dbraw/zinc/95/26/90/1067952690.db2.gz RERYSOZDIGWGRM-FQEVSTJZSA-N 1 2 488.080 3.118 20 0 JGADLO C[C@H]1C[C@H](C)CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001304915077 1067959125 /nfs/dbraw/zinc/95/91/25/1067959125.db2.gz ALBROPITEBGNFH-OALUTQOASA-N 1 2 497.669 3.187 20 0 JGADLO CC(C)NC(=O)CN(C)c1nnc(CCc2ccccc2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001303443677 1067965680 /nfs/dbraw/zinc/96/56/80/1067965680.db2.gz XIKZQDMBAQKUSA-UHFFFAOYSA-N 1 2 475.641 3.458 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001303480866 1068001253 /nfs/dbraw/zinc/00/12/53/1068001253.db2.gz GAIRXKHABNBPGC-JTSKRJEESA-N 1 2 484.066 3.391 20 0 JGADLO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001303480865 1068001435 /nfs/dbraw/zinc/00/14/35/1068001435.db2.gz GAIRXKHABNBPGC-HTAPYJJXSA-N 1 2 484.066 3.391 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCC(C)(F)F)CCOC1 ZINC001303497126 1068024210 /nfs/dbraw/zinc/02/42/10/1068024210.db2.gz OLOFFNXJKDPRIX-HSZRJFAPSA-N 1 2 464.561 3.388 20 0 JGADLO C[C@H]1CCc2sc(-c3nnc(N(C)CCCS(C)(=O)=O)n3CC[N@H+]3CC=CCC3)cc2C1 ZINC001304982951 1068024274 /nfs/dbraw/zinc/02/42/74/1068024274.db2.gz HJVLVAQFSNFAHB-SFHVURJKSA-N 1 2 477.700 3.264 20 0 JGADLO C[C@H]1CCc2sc(-c3nnc(N(C)CCCS(C)(=O)=O)n3CC[N@@H+]3CC=CCC3)cc2C1 ZINC001304982951 1068024289 /nfs/dbraw/zinc/02/42/89/1068024289.db2.gz HJVLVAQFSNFAHB-SFHVURJKSA-N 1 2 477.700 3.264 20 0 JGADLO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3nnc(C(C)(C)C)n3CCCNc3cccc[nH+]3)CC2)C1 ZINC001304996138 1068038724 /nfs/dbraw/zinc/03/87/24/1068038724.db2.gz NCMAEXLJLQBNRV-FGZHOGPDSA-N 1 2 496.704 3.290 20 0 JGADLO C[C@H]1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001305000664 1068043236 /nfs/dbraw/zinc/04/32/36/1068043236.db2.gz NSVONXOMGZGQDL-DLBZAZTESA-N 1 2 465.440 3.251 20 0 JGADLO CN(Cc1nnc2n1CCC[C@@H]2C(F)(F)F)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001303524516 1068054857 /nfs/dbraw/zinc/05/48/57/1068054857.db2.gz HCHUKFZQDFNEKC-FUHWJXTLSA-N 1 2 453.534 3.466 20 0 JGADLO CC(C)OCCCCn1c(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001303544869 1068072833 /nfs/dbraw/zinc/07/28/33/1068072833.db2.gz OVFFLHSZTQYJNJ-JOCHJYFZSA-N 1 2 464.699 3.012 20 0 JGADLO C[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001305039247 1068094131 /nfs/dbraw/zinc/09/41/31/1068094131.db2.gz MKLCJDSANFIBOQ-AZUAARDMSA-N 1 2 463.623 3.078 20 0 JGADLO C[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001305039247 1068094145 /nfs/dbraw/zinc/09/41/45/1068094145.db2.gz MKLCJDSANFIBOQ-AZUAARDMSA-N 1 2 463.623 3.078 20 0 JGADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(CC2CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303597799 1068122389 /nfs/dbraw/zinc/12/23/89/1068122389.db2.gz YBPNAFOWBAKVCN-QGZVFWFLSA-N 1 2 468.627 3.341 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305067859 1068141289 /nfs/dbraw/zinc/14/12/89/1068141289.db2.gz WBLHHUIQJMNCBO-UYAOXDASSA-N 1 2 489.690 3.194 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)[C@H]1C ZINC001305087096 1068157167 /nfs/dbraw/zinc/15/71/67/1068157167.db2.gz POCGNIDYWCATJC-MXEMCNAFSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)[C@H]1C ZINC001305087096 1068157169 /nfs/dbraw/zinc/15/71/69/1068157169.db2.gz POCGNIDYWCATJC-MXEMCNAFSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303643849 1068171472 /nfs/dbraw/zinc/17/14/72/1068171472.db2.gz AFSIFRXZNRJFSA-CYBMUJFWSA-N 1 2 490.381 3.056 20 0 JGADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001303651228 1068180628 /nfs/dbraw/zinc/18/06/28/1068180628.db2.gz WVEHAKKJXSOCCO-UYAOXDASSA-N 1 2 455.607 3.044 20 0 JGADLO C[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305113771 1068190496 /nfs/dbraw/zinc/19/04/96/1068190496.db2.gz PWBYHEPDMOLYJL-MTQWCTHYSA-N 1 2 489.686 3.471 20 0 JGADLO C[C@H]1CN(c2ccc(Cn3c([C@H]4CCCCO4)nnc3N(C)CCC(F)F)c[nH+]2)CCO1 ZINC001305121312 1068204063 /nfs/dbraw/zinc/20/40/63/1068204063.db2.gz IFNSONBQDMVPGE-FUHWJXTLSA-N 1 2 450.534 3.280 20 0 JGADLO C[C@H]1CN(c2ccc(Cn3c(CC4CCCC4)nnc3N(C)CC(=O)NC(C)(C)C)c[nH+]2)CCO1 ZINC001305123243 1068207774 /nfs/dbraw/zinc/20/77/74/1068207774.db2.gz UVARQTAZXCDMBN-IBGZPJMESA-N 1 2 483.661 3.030 20 0 JGADLO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001303673482 1068210320 /nfs/dbraw/zinc/21/03/20/1068210320.db2.gz CDSMQUSXORBHFR-QUCCMNQESA-N 1 2 499.660 3.309 20 0 JGADLO C[C@@H](CN(C)c1nnc(C(=O)N2CCCC2)n1CCCNc1cccc[nH+]1)c1nccs1 ZINC001303676238 1068214935 /nfs/dbraw/zinc/21/49/35/1068214935.db2.gz XQHIKMVSXKINRI-KRWDZBQOSA-N 1 2 454.604 3.108 20 0 JGADLO C[C@@H](CN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCOC[C@H]1C)c1nccs1 ZINC001303683092 1068220061 /nfs/dbraw/zinc/22/00/61/1068220061.db2.gz YURWTWRVYIOIBQ-ZWKOTPCHSA-N 1 2 474.606 3.413 20 0 JGADLO C[C@@H](CN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCOC[C@H]1C)c1nccs1 ZINC001303683092 1068220070 /nfs/dbraw/zinc/22/00/70/1068220070.db2.gz YURWTWRVYIOIBQ-ZWKOTPCHSA-N 1 2 474.606 3.413 20 0 JGADLO C[C@H](CN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCOC[C@H]1C)c1nccs1 ZINC001303683090 1068220114 /nfs/dbraw/zinc/22/01/14/1068220114.db2.gz YURWTWRVYIOIBQ-QZTJIDSGSA-N 1 2 474.606 3.413 20 0 JGADLO C[C@H](CN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCOC[C@H]1C)c1nccs1 ZINC001303683090 1068220122 /nfs/dbraw/zinc/22/01/22/1068220122.db2.gz YURWTWRVYIOIBQ-QZTJIDSGSA-N 1 2 474.606 3.413 20 0 JGADLO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001303693624 1068236625 /nfs/dbraw/zinc/23/66/25/1068236625.db2.gz ANQZETUNQYYTJB-AWEZNQCLSA-N 1 2 470.437 3.105 20 0 JGADLO C[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303713440 1068258907 /nfs/dbraw/zinc/25/89/07/1068258907.db2.gz MUIJSFHIJPDAJI-UXHICEINSA-N 1 2 476.666 3.398 20 0 JGADLO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303713438 1068259065 /nfs/dbraw/zinc/25/90/65/1068259065.db2.gz MUIJSFHIJPDAJI-PMACEKPBSA-N 1 2 476.666 3.398 20 0 JGADLO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1)[NH+]1CCOCC1 ZINC001303723475 1068273939 /nfs/dbraw/zinc/27/39/39/1068273939.db2.gz HIMNZEASWLSTJN-FQEVSTJZSA-N 1 2 486.636 3.079 20 0 JGADLO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001303726932 1068279754 /nfs/dbraw/zinc/27/97/54/1068279754.db2.gz IFCDVGOTBWELPX-HOTGVXAUSA-N 1 2 455.500 3.349 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@@H](C)C1 ZINC001305178409 1068292556 /nfs/dbraw/zinc/29/25/56/1068292556.db2.gz JILLZYOMBDRZSY-MOPGFXCFSA-N 1 2 494.706 3.055 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS[C@@H](C)C1 ZINC001305178409 1068292563 /nfs/dbraw/zinc/29/25/63/1068292563.db2.gz JILLZYOMBDRZSY-MOPGFXCFSA-N 1 2 494.706 3.055 20 0 JGADLO CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(Nc4cccc[nH+]4)CC3)cc(C(C)C)nc21 ZINC001303749089 1068309533 /nfs/dbraw/zinc/30/95/33/1068309533.db2.gz HTCNKPTVOWHVCD-UHFFFAOYSA-N 1 2 450.543 3.142 20 0 JGADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001303778929 1068356199 /nfs/dbraw/zinc/35/61/99/1068356199.db2.gz NIBQMHSQVICXOU-OXJNMPFZSA-N 1 2 451.612 3.247 20 0 JGADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001303791200 1068374425 /nfs/dbraw/zinc/37/44/25/1068374425.db2.gz VTDUBZWWAYUOEE-IBGZPJMESA-N 1 2 451.567 3.142 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)c2ccco2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001303802977 1068400497 /nfs/dbraw/zinc/40/04/97/1068400497.db2.gz GXRWICHGXSSSRD-HZPDHXFCSA-N 1 2 487.561 3.052 20 0 JGADLO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001305259037 1068424947 /nfs/dbraw/zinc/42/49/47/1068424947.db2.gz OGBHPXRRJAAGKM-YRPNKDGESA-N 1 2 494.706 3.401 20 0 JGADLO CCC(=O)N[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001305263975 1068439858 /nfs/dbraw/zinc/43/98/58/1068439858.db2.gz HMXIDVWKMYUFKD-PKTZIBPZSA-N 1 2 468.646 3.045 20 0 JGADLO CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001305283691 1068485344 /nfs/dbraw/zinc/48/53/44/1068485344.db2.gz STQLNSOEBFHAQX-IBGZPJMESA-N 1 2 458.582 3.135 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@H]1CC[C@@H](F)C1 ZINC001303866185 1068503492 /nfs/dbraw/zinc/50/34/92/1068503492.db2.gz YHICHACUXRHLRJ-XKGZKEIXSA-N 1 2 499.056 3.002 20 0 JGADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CC(F)(F)CO1 ZINC001303907094 1068553921 /nfs/dbraw/zinc/55/39/21/1068553921.db2.gz QLOYNIZEEZNTFR-QFBILLFUSA-N 1 2 485.963 3.264 20 0 JGADLO C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC1CCOCC1)[NH+]1CCOCC1 ZINC001303921058 1068571860 /nfs/dbraw/zinc/57/18/60/1068571860.db2.gz COPIJLXMADHIPS-MOPGFXCFSA-N 1 2 461.582 3.141 20 0 JGADLO CC[C@H](C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1)OC ZINC001305351320 1068595222 /nfs/dbraw/zinc/59/52/22/1068595222.db2.gz IYVHVUPZOMAJNM-ODGPQVTHSA-N 1 2 469.678 3.314 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001305368956 1068624076 /nfs/dbraw/zinc/62/40/76/1068624076.db2.gz KFEVNLRQLJYXCD-OXQOHEQNSA-N 1 2 498.644 3.233 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001305368957 1068624098 /nfs/dbraw/zinc/62/40/98/1068624098.db2.gz KFEVNLRQLJYXCD-UZLBHIALSA-N 1 2 498.644 3.233 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305381124 1068632555 /nfs/dbraw/zinc/63/25/55/1068632555.db2.gz NKZRJSAGRMUTPI-HOTGVXAUSA-N 1 2 481.544 3.479 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305381124 1068632558 /nfs/dbraw/zinc/63/25/58/1068632558.db2.gz NKZRJSAGRMUTPI-HOTGVXAUSA-N 1 2 481.544 3.479 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305381130 1068633283 /nfs/dbraw/zinc/63/32/83/1068633283.db2.gz NKZRJSAGRMUTPI-JKSUJKDBSA-N 1 2 481.544 3.479 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CC[N@H+]1CCOC[C@H]1C ZINC001305381130 1068633288 /nfs/dbraw/zinc/63/32/88/1068633288.db2.gz NKZRJSAGRMUTPI-JKSUJKDBSA-N 1 2 481.544 3.479 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001305426521 1068663602 /nfs/dbraw/zinc/66/36/02/1068663602.db2.gz PFAAKSKQPAYVQJ-AEFFLSMTSA-N 1 2 479.551 3.340 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305435219 1068671323 /nfs/dbraw/zinc/67/13/23/1068671323.db2.gz XJQOTRLMPDEUCJ-MUGJNUQGSA-N 1 2 464.655 3.252 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305435219 1068671330 /nfs/dbraw/zinc/67/13/30/1068671330.db2.gz XJQOTRLMPDEUCJ-MUGJNUQGSA-N 1 2 464.655 3.252 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305460518 1068703188 /nfs/dbraw/zinc/70/31/88/1068703188.db2.gz RRPCDDWIKXAAQJ-QZTJIDSGSA-N 1 2 463.573 3.279 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305460521 1068703413 /nfs/dbraw/zinc/70/34/13/1068703413.db2.gz RRPCDDWIKXAAQJ-ZWKOTPCHSA-N 1 2 463.573 3.279 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001305461469 1068704346 /nfs/dbraw/zinc/70/43/46/1068704346.db2.gz XUFNHYIZDVJSHU-VPWXQRGCSA-N 1 2 475.588 3.413 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305464638 1068708151 /nfs/dbraw/zinc/70/81/51/1068708151.db2.gz WMFAFKVQSCIPSQ-IAGOWNOFSA-N 1 2 464.014 3.004 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(OCc3ccccc3F)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305464937 1068708743 /nfs/dbraw/zinc/70/87/43/1068708743.db2.gz UYFSUZSFKYUOGQ-FQEVSTJZSA-N 1 2 486.636 3.280 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001305466127 1068709980 /nfs/dbraw/zinc/70/99/80/1068709980.db2.gz ITSTYPGEECARCU-QGZVFWFLSA-N 1 2 451.612 3.076 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305466127 1068709988 /nfs/dbraw/zinc/70/99/88/1068709988.db2.gz ITSTYPGEECARCU-QGZVFWFLSA-N 1 2 451.612 3.076 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305487877 1068725423 /nfs/dbraw/zinc/72/54/23/1068725423.db2.gz OOWIFPNLNFGFPV-PZJWPPBQSA-N 1 2 489.690 3.085 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001305489354 1068727464 /nfs/dbraw/zinc/72/74/64/1068727464.db2.gz MZQFNBXKJUUGIB-PWIZWCRZSA-N 1 2 451.612 3.247 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305499858 1068734945 /nfs/dbraw/zinc/73/49/45/1068734945.db2.gz FZDJQWWSTJZQSG-VQTJNVASSA-N 1 2 472.609 3.004 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305499858 1068734951 /nfs/dbraw/zinc/73/49/51/1068734951.db2.gz FZDJQWWSTJZQSG-VQTJNVASSA-N 1 2 472.609 3.004 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001305500627 1068735309 /nfs/dbraw/zinc/73/53/09/1068735309.db2.gz QUTBLIIOQFPDPT-GHTZIAJQSA-N 1 2 465.639 3.466 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305500627 1068735318 /nfs/dbraw/zinc/73/53/18/1068735318.db2.gz QUTBLIIOQFPDPT-GHTZIAJQSA-N 1 2 465.639 3.466 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001305500629 1068735473 /nfs/dbraw/zinc/73/54/73/1068735473.db2.gz QUTBLIIOQFPDPT-RXVVDRJESA-N 1 2 465.639 3.466 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305500629 1068735481 /nfs/dbraw/zinc/73/54/81/1068735481.db2.gz QUTBLIIOQFPDPT-RXVVDRJESA-N 1 2 465.639 3.466 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305502985 1068738002 /nfs/dbraw/zinc/73/80/02/1068738002.db2.gz WPZCYLKQWRDRDW-RTWAWAEBSA-N 1 2 483.661 3.155 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305503779 1068739060 /nfs/dbraw/zinc/73/90/60/1068739060.db2.gz PIGABYLTUCSLAU-ZJSXRUAMSA-N 1 2 468.646 3.232 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001305508082 1068745766 /nfs/dbraw/zinc/74/57/66/1068745766.db2.gz DUQKFTYGDSOIFD-PZJWPPBQSA-N 1 2 477.650 3.468 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001305508082 1068745770 /nfs/dbraw/zinc/74/57/70/1068745770.db2.gz DUQKFTYGDSOIFD-PZJWPPBQSA-N 1 2 477.650 3.468 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001305514669 1068761374 /nfs/dbraw/zinc/76/13/74/1068761374.db2.gz IFLDFQZFNTVMEL-JTHBVZDNSA-N 1 2 497.688 3.495 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001305516615 1068764665 /nfs/dbraw/zinc/76/46/65/1068764665.db2.gz QUGMPGNURUIJNM-GMAHTHKFSA-N 1 2 497.688 3.323 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001305516615 1068764676 /nfs/dbraw/zinc/76/46/76/1068764676.db2.gz QUGMPGNURUIJNM-GMAHTHKFSA-N 1 2 497.688 3.323 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001305519068 1068769289 /nfs/dbraw/zinc/76/92/89/1068769289.db2.gz PDVBXOZYHLKJNQ-ZWKOTPCHSA-N 1 2 493.578 3.387 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@@]1(C)COCCO1 ZINC001305529766 1068784798 /nfs/dbraw/zinc/78/47/98/1068784798.db2.gz VRDLOSVCIAXTKD-KOSHJBKYSA-N 1 2 457.623 3.146 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305534858 1068795082 /nfs/dbraw/zinc/79/50/82/1068795082.db2.gz IZACZRLANCDKEF-LADGPHEKSA-N 1 2 482.673 3.478 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1csc(C)c1 ZINC001305544388 1068821013 /nfs/dbraw/zinc/82/10/13/1068821013.db2.gz PLHCQPWIAKFTRS-UGKGYDQZSA-N 1 2 460.692 3.441 20 0 JGADLO CC[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001305556399 1068834765 /nfs/dbraw/zinc/83/47/65/1068834765.db2.gz ZBEGPNJMEWANDR-IHPCNDPISA-N 1 2 467.536 3.460 20 0 JGADLO CC[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001305556399 1068834778 /nfs/dbraw/zinc/83/47/78/1068834778.db2.gz ZBEGPNJMEWANDR-IHPCNDPISA-N 1 2 467.536 3.460 20 0 JGADLO CC[C@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001305566203 1068842411 /nfs/dbraw/zinc/84/24/11/1068842411.db2.gz WCKKTMICLKXLEW-SFTDATJTSA-N 1 2 481.707 3.086 20 0 JGADLO CC[C@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305566203 1068842422 /nfs/dbraw/zinc/84/24/22/1068842422.db2.gz WCKKTMICLKXLEW-SFTDATJTSA-N 1 2 481.707 3.086 20 0 JGADLO CC[C@H](C)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001305584855 1068854585 /nfs/dbraw/zinc/85/45/85/1068854585.db2.gz JSNZPKPIGNYHAA-BWAGFHJFSA-N 1 2 454.619 3.093 20 0 JGADLO CC[C@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305592613 1068859502 /nfs/dbraw/zinc/85/95/02/1068859502.db2.gz NLESDURZAVKRGF-PXNSSMCTSA-N 1 2 466.638 3.123 20 0 JGADLO CC[C@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305592613 1068859520 /nfs/dbraw/zinc/85/95/20/1068859520.db2.gz NLESDURZAVKRGF-PXNSSMCTSA-N 1 2 466.638 3.123 20 0 JGADLO CC[C@@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305592731 1068860067 /nfs/dbraw/zinc/86/00/67/1068860067.db2.gz IZUWDICBUKWORL-UXHICEINSA-N 1 2 469.634 3.055 20 0 JGADLO CC[C@H](C)NC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC001305625317 1068919700 /nfs/dbraw/zinc/91/97/00/1068919700.db2.gz BWJDCXGHWOWHKY-FQEVSTJZSA-N 1 2 490.656 3.478 20 0 JGADLO CC[C@@H](C)NC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC001305625318 1068919857 /nfs/dbraw/zinc/91/98/57/1068919857.db2.gz BWJDCXGHWOWHKY-HXUWFJFHSA-N 1 2 490.656 3.478 20 0 JGADLO CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2F)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001305638371 1068950751 /nfs/dbraw/zinc/95/07/51/1068950751.db2.gz CPAGQIYMIQNBOI-SFHVURJKSA-N 1 2 479.604 3.337 20 0 JGADLO CC[C@H](C)NC(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001305644623 1068970260 /nfs/dbraw/zinc/97/02/60/1068970260.db2.gz YWMJQNCVZWYWLN-FQEVSTJZSA-N 1 2 491.640 3.494 20 0 JGADLO CC[C@H](c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCC(C)(C)O)c1ccccc1 ZINC001305675224 1069027032 /nfs/dbraw/zinc/02/70/32/1069027032.db2.gz AZZYVAITMBYRGJ-DQEYMECFSA-N 1 2 498.716 3.212 20 0 JGADLO CC[C@H](c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCC(C)(C)O)c1ccccc1 ZINC001305675231 1069027572 /nfs/dbraw/zinc/02/75/72/1069027572.db2.gz AZZYVAITMBYRGJ-RPBOFIJWSA-N 1 2 498.716 3.212 20 0 JGADLO CC[C@H](c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC001305675365 1069028172 /nfs/dbraw/zinc/02/81/72/1069028172.db2.gz PBPLDDSRGUNFFR-YADHBBJMSA-N 1 2 482.654 3.343 20 0 JGADLO CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)SC ZINC001305692756 1069062226 /nfs/dbraw/zinc/06/22/26/1069062226.db2.gz KONNQZNDEUNDIX-SFHVURJKSA-N 1 2 477.704 3.238 20 0 JGADLO CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001305699252 1069077465 /nfs/dbraw/zinc/07/74/65/1069077465.db2.gz LMWUQYLCVIDLKF-OAQYLSRUSA-N 1 2 474.694 3.349 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305726659 1069144140 /nfs/dbraw/zinc/14/41/40/1069144140.db2.gz RQIKSZUBEVBMID-UHFFFAOYSA-N 1 2 456.635 3.252 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001305726659 1069144150 /nfs/dbraw/zinc/14/41/50/1069144150.db2.gz RQIKSZUBEVBMID-UHFFFAOYSA-N 1 2 456.635 3.252 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001305738961 1069165009 /nfs/dbraw/zinc/16/50/09/1069165009.db2.gz DBJRVJLQFFLLOD-DYLHXGEVSA-N 1 2 484.645 3.305 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H](OC)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001305747101 1069190365 /nfs/dbraw/zinc/19/03/65/1069190365.db2.gz FAVFEAZVOCLWKZ-DENIHFKCSA-N 1 2 483.661 3.491 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCc1ccc(O)cc1 ZINC001305760140 1069223515 /nfs/dbraw/zinc/22/35/15/1069223515.db2.gz UFOVTNPUMFQROI-UHFFFAOYSA-N 1 2 477.613 3.169 20 0 JGADLO CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001305771283 1069247960 /nfs/dbraw/zinc/24/79/60/1069247960.db2.gz OHRAKNSZMQHANN-HSZRJFAPSA-N 1 2 454.596 3.282 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001305772568 1069251155 /nfs/dbraw/zinc/25/11/55/1069251155.db2.gz QNONXKCVRAHIFC-NRFANRHFSA-N 1 2 469.634 3.245 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305777182 1069262042 /nfs/dbraw/zinc/26/20/42/1069262042.db2.gz VDEQWOQAXLXGIO-UHFFFAOYSA-N 1 2 497.688 3.024 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001305777182 1069262049 /nfs/dbraw/zinc/26/20/49/1069262049.db2.gz VDEQWOQAXLXGIO-UHFFFAOYSA-N 1 2 497.688 3.024 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1Cc1cnn(CC)c1 ZINC001305789035 1069298891 /nfs/dbraw/zinc/29/88/91/1069298891.db2.gz ZRFJXOJXKLMEMR-UHFFFAOYSA-N 1 2 499.063 3.437 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@H]2C)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305789629 1069299687 /nfs/dbraw/zinc/29/96/87/1069299687.db2.gz FGNMNMUSNCUIHH-GOSISDBHSA-N 1 2 471.650 3.490 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305791983 1069305113 /nfs/dbraw/zinc/30/51/13/1069305113.db2.gz QULKDMCGUZDOAE-HFZDXXHNSA-N 1 2 492.709 3.195 20 0 JGADLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+]3CCCC[C@H]3[C@@H](C)NC(=O)OC(C)(C)C)n12 ZINC000058159210 195368171 /nfs/dbraw/zinc/36/81/71/195368171.db2.gz ZDZVLCAVFUMUDJ-AEFFLSMTSA-N 1 2 454.575 3.157 20 0 JGADLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+]3CCCC[C@H]3[C@@H](C)NC(=O)OC(C)(C)C)n12 ZINC000058159210 195368174 /nfs/dbraw/zinc/36/81/74/195368174.db2.gz ZDZVLCAVFUMUDJ-AEFFLSMTSA-N 1 2 454.575 3.157 20 0 JGADLO COc1ccc(C[NH+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000040950182 563159303 /nfs/dbraw/zinc/15/93/03/563159303.db2.gz UJPPZAVVBRYRPU-LOSJGSFVSA-N 1 2 469.626 3.310 20 0 JGADLO NC(=O)c1ccc(C(F)(F)N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)nc1Cl ZINC001164421821 718889426 /nfs/dbraw/zinc/88/94/26/718889426.db2.gz YLQFFKPUXLNKLK-GFCCVEGCSA-N 1 2 486.704 3.367 20 0 JGADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccc(Cl)cc3)CC2)C1=O ZINC001164644101 719284166 /nfs/dbraw/zinc/28/41/66/719284166.db2.gz CUQJULDPWBGAEC-UHFFFAOYSA-N 1 2 480.396 3.335 20 0 JGADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccc(Cl)cc3)CC2)C1=O ZINC001164644101 719284170 /nfs/dbraw/zinc/28/41/70/719284170.db2.gz CUQJULDPWBGAEC-UHFFFAOYSA-N 1 2 480.396 3.335 20 0 JGADLO Cc1noc([C@@H]2C[C@H]3CCN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001164647897 719299800 /nfs/dbraw/zinc/29/98/00/719299800.db2.gz FFRGZOQWPRRWNG-YFNKSVMNSA-N 1 2 488.592 3.088 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)N3CCOCC3)cn1)CC2 ZINC001164662965 719346323 /nfs/dbraw/zinc/34/63/23/719346323.db2.gz BNQKESJQGOVOEV-UHFFFAOYSA-N 1 2 486.620 3.249 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)N3CCOCC3)cn1)CC2 ZINC001164662965 719346326 /nfs/dbraw/zinc/34/63/26/719346326.db2.gz BNQKESJQGOVOEV-UHFFFAOYSA-N 1 2 486.620 3.249 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(S(N)(=O)=O)cc1Cl)CC2 ZINC001164664581 719349102 /nfs/dbraw/zinc/34/91/02/719349102.db2.gz ZIFQOTSKXSJBHM-UHFFFAOYSA-N 1 2 487.029 3.077 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(S(N)(=O)=O)cc1Cl)CC2 ZINC001164664581 719349105 /nfs/dbraw/zinc/34/91/05/719349105.db2.gz ZIFQOTSKXSJBHM-UHFFFAOYSA-N 1 2 487.029 3.077 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)N1CCC[C@@H]1C(=O)N3C)CC2 ZINC001164658966 719350733 /nfs/dbraw/zinc/35/07/33/719350733.db2.gz NPEZBJOJYOLBMN-OAQYLSRUSA-N 1 2 498.635 3.117 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)N1CCC[C@@H]1C(=O)N3C)CC2 ZINC001164658966 719350737 /nfs/dbraw/zinc/35/07/37/719350737.db2.gz NPEZBJOJYOLBMN-OAQYLSRUSA-N 1 2 498.635 3.117 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(S(=O)(=O)N(C)C)cn1)CC2 ZINC001164658537 719353893 /nfs/dbraw/zinc/35/38/93/719353893.db2.gz IMMCEOTYADGYCA-UHFFFAOYSA-N 1 2 480.638 3.027 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(S(=O)(=O)N(C)C)cn1)CC2 ZINC001164658537 719353894 /nfs/dbraw/zinc/35/38/94/719353894.db2.gz IMMCEOTYADGYCA-UHFFFAOYSA-N 1 2 480.638 3.027 20 0 JGADLO Clc1nc2c(c(N3CCc4onc(Cn5cc[nH+]c5)c4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164676671 719563666 /nfs/dbraw/zinc/56/36/66/719563666.db2.gz DSDSGRLGIUBAOD-UHFFFAOYSA-N 1 2 461.957 3.484 20 0 JGADLO CC(C)[N@H+](C)Cc1nn(-c2cc([N-]S(=O)(=O)c3ccc(Cl)nc3)ccc2F)c2c1CC[NH2+]C2 ZINC001164679736 719645645 /nfs/dbraw/zinc/64/56/45/719645645.db2.gz LCFHGQUBGMDLQI-UHFFFAOYSA-N 1 2 493.008 3.347 20 0 JGADLO CC(C)[N@@H+](C)Cc1nn(-c2cc([N-]S(=O)(=O)c3ccc(Cl)nc3)ccc2F)c2c1CC[NH2+]C2 ZINC001164679736 719645650 /nfs/dbraw/zinc/64/56/50/719645650.db2.gz LCFHGQUBGMDLQI-UHFFFAOYSA-N 1 2 493.008 3.347 20 0 JGADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN([C@H](F)Oc3cncc(Cl)n3)CC2)cc1 ZINC001164700031 719830589 /nfs/dbraw/zinc/83/05/89/719830589.db2.gz ZJGCRDJRPYQBBM-NRFANRHFSA-N 1 2 456.909 3.162 20 0 JGADLO O=C1COC2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC2)CN1c1ccccc1 ZINC001164697423 719836065 /nfs/dbraw/zinc/83/60/65/719836065.db2.gz YBPYJQHHZJDAIN-UHFFFAOYSA-N 1 2 469.589 3.437 20 0 JGADLO O=C1COC2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)CN1c1ccccc1 ZINC001164697423 719836067 /nfs/dbraw/zinc/83/60/67/719836067.db2.gz YBPYJQHHZJDAIN-UHFFFAOYSA-N 1 2 469.589 3.437 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2cnc(Cl)nc2c1 ZINC001164701938 719859557 /nfs/dbraw/zinc/85/95/57/719859557.db2.gz MGCFESAOSQDNSA-JXFKEZNVSA-N 1 2 454.905 3.061 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2cnc(Cl)nc2c1 ZINC001164701940 719859664 /nfs/dbraw/zinc/85/96/64/719859664.db2.gz MGCFESAOSQDNSA-OXJNMPFZSA-N 1 2 454.905 3.061 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)Nc2cccc(Cl)c2)cn1 ZINC001164703806 719868940 /nfs/dbraw/zinc/86/89/40/719868940.db2.gz KQPBEBRJAJHZHV-HYBUGGRVSA-N 1 2 472.973 3.220 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(F)c1 ZINC001164702794 719878073 /nfs/dbraw/zinc/87/80/73/719878073.db2.gz QIWMFMGUKOVNKM-KSFYIVLOSA-N 1 2 464.925 3.294 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1F ZINC001164704395 719878085 /nfs/dbraw/zinc/87/80/85/719878085.db2.gz WNQPIIDKSOLGRK-QRQCRPRQSA-N 1 2 464.925 3.294 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3c(Cl)ccc(Cl)c3n1)CC2 ZINC001164708282 719933789 /nfs/dbraw/zinc/93/37/89/719933789.db2.gz HGLNMCZCJQLNIT-UHFFFAOYSA-N 1 2 459.381 3.225 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4cc(Cl)c(Cl)cc4nc3Cl)C2)C1 ZINC001164718997 720233138 /nfs/dbraw/zinc/23/31/38/720233138.db2.gz KABBJUXVJWCGOY-HXUWFJFHSA-N 1 2 472.804 3.255 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4cc(Cl)c(Cl)cc4nc3Cl)C2)C1 ZINC001164718997 720233148 /nfs/dbraw/zinc/23/31/48/720233148.db2.gz KABBJUXVJWCGOY-HXUWFJFHSA-N 1 2 472.804 3.255 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)C2)C1 ZINC001164721777 720310174 /nfs/dbraw/zinc/31/01/74/720310174.db2.gz HRTLSHODDAYPOY-QFIPXVFZSA-N 1 2 497.949 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)C2)C1 ZINC001164721777 720310184 /nfs/dbraw/zinc/31/01/84/720310184.db2.gz HRTLSHODDAYPOY-QFIPXVFZSA-N 1 2 497.949 3.146 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5c(Cl)ccnc54)CC3)C2=O)cs1 ZINC001164826564 720361010 /nfs/dbraw/zinc/36/10/10/720361010.db2.gz XBYXTPYQDUEGPB-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5c(Cl)ccnc54)CC3)C2=O)cs1 ZINC001164826564 720361017 /nfs/dbraw/zinc/36/10/17/720361017.db2.gz XBYXTPYQDUEGPB-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(Cl)c5ccccc54)CC3)C2=O)cs1 ZINC001164824093 720361852 /nfs/dbraw/zinc/36/18/52/720361852.db2.gz IXNBNESAFLKLCU-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(Cl)c5ccccc54)CC3)C2=O)cs1 ZINC001164824093 720361855 /nfs/dbraw/zinc/36/18/55/720361855.db2.gz IXNBNESAFLKLCU-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c(Cl)cccc54)CC3)C2=O)cs1 ZINC001164825644 720362480 /nfs/dbraw/zinc/36/24/80/720362480.db2.gz SGJFDENFCQXEIA-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c(Cl)cccc54)CC3)C2=O)cs1 ZINC001164825644 720362491 /nfs/dbraw/zinc/36/24/91/720362491.db2.gz SGJFDENFCQXEIA-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO COc1ccc2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nc2c1 ZINC001164819348 720373079 /nfs/dbraw/zinc/37/30/79/720373079.db2.gz DHOGSKPQSASLPN-UHFFFAOYSA-N 1 2 451.596 3.322 20 0 JGADLO COc1ccc2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nc2c1 ZINC001164819348 720373088 /nfs/dbraw/zinc/37/30/88/720373088.db2.gz DHOGSKPQSASLPN-UHFFFAOYSA-N 1 2 451.596 3.322 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5c(Cl)ccnc5cn4)CC3)C2=O)cs1 ZINC001164820970 720374177 /nfs/dbraw/zinc/37/41/77/720374177.db2.gz VCQVKQDYXOIEIN-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5c(Cl)ccnc5cn4)CC3)C2=O)cs1 ZINC001164820970 720374185 /nfs/dbraw/zinc/37/41/85/720374185.db2.gz VCQVKQDYXOIEIN-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(-c5ccc(N(C)C)cc5)n4)CC3)C2=O)cs1 ZINC001164819933 720376200 /nfs/dbraw/zinc/37/62/00/720376200.db2.gz JJTFFEXXRDUQAD-UHFFFAOYSA-N 1 2 491.665 3.288 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(-c5ccc(N(C)C)cc5)n4)CC3)C2=O)cs1 ZINC001164819933 720376203 /nfs/dbraw/zinc/37/62/03/720376203.db2.gz JJTFFEXXRDUQAD-UHFFFAOYSA-N 1 2 491.665 3.288 20 0 JGADLO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1)C1CC1 ZINC001164820339 720377211 /nfs/dbraw/zinc/37/72/11/720377211.db2.gz NWPOTHMIQSXUTL-JOCHJYFZSA-N 1 2 497.665 3.216 20 0 JGADLO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1)C1CC1 ZINC001164820339 720377218 /nfs/dbraw/zinc/37/72/18/720377218.db2.gz NWPOTHMIQSXUTL-JOCHJYFZSA-N 1 2 497.665 3.216 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncccc4C(=O)N4CCC(C)CC4)CC3)C2=O)cs1 ZINC001164819270 720379131 /nfs/dbraw/zinc/37/91/31/720379131.db2.gz AZTRCCISXZLKLH-UHFFFAOYSA-N 1 2 496.681 3.032 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncccc4C(=O)N4CCC(C)CC4)CC3)C2=O)cs1 ZINC001164819270 720379139 /nfs/dbraw/zinc/37/91/39/720379139.db2.gz AZTRCCISXZLKLH-UHFFFAOYSA-N 1 2 496.681 3.032 20 0 JGADLO COc1ccccc1-c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nn1 ZINC001164819312 720379973 /nfs/dbraw/zinc/37/99/73/720379973.db2.gz BVWCELWQWFALAI-UHFFFAOYSA-N 1 2 478.622 3.230 20 0 JGADLO COc1ccccc1-c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nn1 ZINC001164819312 720379980 /nfs/dbraw/zinc/37/99/80/720379980.db2.gz BVWCELWQWFALAI-UHFFFAOYSA-N 1 2 478.622 3.230 20 0 JGADLO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830181 720399628 /nfs/dbraw/zinc/39/96/28/720399628.db2.gz QNOCRHATNZEVDY-OAQYLSRUSA-N 1 2 454.897 3.171 20 0 JGADLO Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)O2)n1 ZINC001164831524 720406944 /nfs/dbraw/zinc/40/69/44/720406944.db2.gz VUZVPORZEGRQSI-HJOGWXRNSA-N 1 2 488.592 3.230 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc(Cl)cnc1Cl)C2 ZINC001164825846 720433883 /nfs/dbraw/zinc/43/38/83/720433883.db2.gz VAQKOXZQNUMMHX-AWEZNQCLSA-N 1 2 476.355 3.119 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3ccccc3)nc3ccccc31)C2 ZINC001164822451 720445575 /nfs/dbraw/zinc/44/55/75/720445575.db2.gz FHBXIIBXDUBJBM-JOCHJYFZSA-N 1 2 484.604 3.483 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc3c(Cl)ccnc31)C2 ZINC001164826990 720449769 /nfs/dbraw/zinc/44/97/69/720449769.db2.gz XTMJQUYBQALIHG-OAHLLOKOSA-N 1 2 477.396 3.123 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc(Cl)c(Cl)n1)C2 ZINC001164827010 720451022 /nfs/dbraw/zinc/45/10/22/720451022.db2.gz YHWKQCKWNFFOHF-CQSZACIVSA-N 1 2 476.355 3.119 20 0 JGADLO COc1ccc2c(c1)nc(Cl)cc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164821884 720451076 /nfs/dbraw/zinc/45/10/76/720451076.db2.gz ADQMKCPAHXVJEI-QGZVFWFLSA-N 1 2 471.989 3.083 20 0 JGADLO Cc1ccc(F)c2cc(C)c(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc12 ZINC001164832278 720460379 /nfs/dbraw/zinc/46/03/79/720460379.db2.gz SMFFSCOCUYTMEB-LJQANCHMSA-N 1 2 453.562 3.177 20 0 JGADLO CSc1cnc(Cl)c(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164830776 720468056 /nfs/dbraw/zinc/46/80/56/720468056.db2.gz LZYOICDQQRLUCZ-HNNXBMFYSA-N 1 2 488.004 3.188 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cccc3c(Cl)ncnc31)C2 ZINC001164829886 720472418 /nfs/dbraw/zinc/47/24/18/720472418.db2.gz HNNLGQWXDJZFFG-MRXNPFEDSA-N 1 2 492.958 3.014 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3cccc4ccccc43)nn1)C2 ZINC001164831261 720474499 /nfs/dbraw/zinc/47/44/99/720474499.db2.gz OBZJNZRNUSTFDQ-JOCHJYFZSA-N 1 2 484.604 3.483 20 0 JGADLO CC(C)c1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(C(C)(C)C)n1 ZINC001164831719 720474527 /nfs/dbraw/zinc/47/45/27/720474527.db2.gz OUIZRKWHTJDTMB-IBGZPJMESA-N 1 2 456.635 3.084 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)C2 ZINC001164833508 720482130 /nfs/dbraw/zinc/48/21/30/720482130.db2.gz PJDVPTBANBOEMO-QGZVFWFLSA-N 1 2 481.975 3.041 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3c(F)ccc(F)c13)C2 ZINC001164832777 720482839 /nfs/dbraw/zinc/48/28/39/720482839.db2.gz KTZBPPDLKSBOTO-HNNXBMFYSA-N 1 2 477.943 3.353 20 0 JGADLO COc1cc2cnc(Cl)cc2cc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164835681 720483971 /nfs/dbraw/zinc/48/39/71/720483971.db2.gz ZQIXBVAOUYCVNF-IBGZPJMESA-N 1 2 471.989 3.083 20 0 JGADLO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@H]21)N1CCCCC1 ZINC001164834482 720497972 /nfs/dbraw/zinc/49/79/72/720497972.db2.gz SNOUZQDSRRTJJB-PLXFJCCSSA-N 1 2 475.637 3.279 20 0 JGADLO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@H]21)N1CCCCC1 ZINC001164834482 720497973 /nfs/dbraw/zinc/49/79/73/720497973.db2.gz SNOUZQDSRRTJJB-PLXFJCCSSA-N 1 2 475.637 3.279 20 0 JGADLO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@H]21)N1CCCCC1 ZINC001164834484 720498336 /nfs/dbraw/zinc/49/83/36/720498336.db2.gz SNOUZQDSRRTJJB-ZEVJAHDQSA-N 1 2 475.637 3.279 20 0 JGADLO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@H]21)N1CCCCC1 ZINC001164834484 720498337 /nfs/dbraw/zinc/49/83/37/720498337.db2.gz SNOUZQDSRRTJJB-ZEVJAHDQSA-N 1 2 475.637 3.279 20 0 JGADLO Cc1nc([C@@H]2COCCN2c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC001164752609 720863859 /nfs/dbraw/zinc/86/38/59/720863859.db2.gz SWUCCSJVHRCCHM-QHCPKHFHSA-N 1 2 463.607 3.382 20 0 JGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)C2 ZINC001164859426 720895359 /nfs/dbraw/zinc/89/53/59/720895359.db2.gz QLPWOAOCGGILHR-UHFFFAOYSA-N 1 2 457.872 3.040 20 0 JGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)Oc1ccc(Cl)nc1Cl)C2 ZINC001164858656 720896716 /nfs/dbraw/zinc/89/67/16/720896716.db2.gz MZVZXGXBBSSYIV-UHFFFAOYSA-N 1 2 457.268 3.025 20 0 JGADLO CN1C[C@H](COCC2CC2)[C@@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@@H]2C1=O ZINC001164858030 721025648 /nfs/dbraw/zinc/02/56/48/721025648.db2.gz FJCKPATVYIESHH-DSITVLBTSA-N 1 2 489.664 3.382 20 0 JGADLO CN1C[C@H](COCC2CC2)[C@@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@@H]2C1=O ZINC001164858030 721025655 /nfs/dbraw/zinc/02/56/55/721025655.db2.gz FJCKPATVYIESHH-DSITVLBTSA-N 1 2 489.664 3.382 20 0 JGADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164769261 721271927 /nfs/dbraw/zinc/27/19/27/721271927.db2.gz XFICTYJQORJSPA-CQSZACIVSA-N 1 2 478.887 3.159 20 0 JGADLO O=C(c1cccnc1N1CC[C@@H]2[C@@H]1CC(=O)N2c1ccsc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164885867 721357166 /nfs/dbraw/zinc/35/71/66/721357166.db2.gz ZYSWAWZQDKXWLO-RPWUZVMVSA-N 1 2 487.629 3.485 20 0 JGADLO CC(C)C(=O)N1CC[C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001164894803 721464498 /nfs/dbraw/zinc/46/44/98/721464498.db2.gz YSLUTYDCEILWGS-UKILVPOCSA-N 1 2 475.637 3.123 20 0 JGADLO Fc1cccnc1OC[C@@]12COC[C@@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164793751 721485435 /nfs/dbraw/zinc/48/54/35/721485435.db2.gz VCWAOQPNFSLXPL-RXFWQSSRSA-N 1 2 461.541 3.101 20 0 JGADLO Fc1cccnc1OC[C@@]12COC[C@@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164793751 721485438 /nfs/dbraw/zinc/48/54/38/721485438.db2.gz VCWAOQPNFSLXPL-RXFWQSSRSA-N 1 2 461.541 3.101 20 0 JGADLO CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164898591 721500640 /nfs/dbraw/zinc/50/06/40/721500640.db2.gz STGQECXQZCEVHI-XMMPIXPASA-N 1 2 463.626 3.183 20 0 JGADLO CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164898591 721500644 /nfs/dbraw/zinc/50/06/44/721500644.db2.gz STGQECXQZCEVHI-XMMPIXPASA-N 1 2 463.626 3.183 20 0 JGADLO CC(C)C(=O)N[C@H]1COCCC12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164898525 721500833 /nfs/dbraw/zinc/50/08/33/721500833.db2.gz STGQECXQZCEVHI-DEOSSOPVSA-N 1 2 463.626 3.183 20 0 JGADLO CC(C)C(=O)N[C@H]1COCCC12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164898525 721500836 /nfs/dbraw/zinc/50/08/36/721500836.db2.gz STGQECXQZCEVHI-DEOSSOPVSA-N 1 2 463.626 3.183 20 0 JGADLO O=C(c1ccco1)N1C[C@H]2CCCN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001165015831 721770967 /nfs/dbraw/zinc/77/09/67/721770967.db2.gz NUDDBVVWBMKAPK-ILBGXUMGSA-N 1 2 499.615 3.374 20 0 JGADLO O=C(c1ccco1)N1C[C@H]2CCCN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC001165015832 721771057 /nfs/dbraw/zinc/77/10/57/721771057.db2.gz NUDDBVVWBMKAPK-NOZRDPDXSA-N 1 2 499.615 3.374 20 0 JGADLO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916037 721787521 /nfs/dbraw/zinc/78/75/21/721787521.db2.gz OCMUMICVVIMVIK-XMMPIXPASA-N 1 2 474.989 3.193 20 0 JGADLO CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916037 721787528 /nfs/dbraw/zinc/78/75/28/721787528.db2.gz OCMUMICVVIMVIK-XMMPIXPASA-N 1 2 474.989 3.193 20 0 JGADLO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914122 721791944 /nfs/dbraw/zinc/79/19/44/721791944.db2.gz BYKMXLAECKAZOF-NRFANRHFSA-N 1 2 463.916 3.264 20 0 JGADLO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914122 721791946 /nfs/dbraw/zinc/79/19/46/721791946.db2.gz BYKMXLAECKAZOF-NRFANRHFSA-N 1 2 463.916 3.264 20 0 JGADLO c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c(N3CCCCC3)nc2c1 ZINC001164914637 721793142 /nfs/dbraw/zinc/79/31/42/721793142.db2.gz ORMRINBVHAVNGS-MHZLTWQESA-N 1 2 474.609 3.123 20 0 JGADLO c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c(N3CCCCC3)nc2c1 ZINC001164914637 721793145 /nfs/dbraw/zinc/79/31/45/721793145.db2.gz ORMRINBVHAVNGS-MHZLTWQESA-N 1 2 474.609 3.123 20 0 JGADLO CCOc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164914685 721797268 /nfs/dbraw/zinc/79/72/68/721797268.db2.gz QCMJWRYSLJKNCA-SANMLTNESA-N 1 2 461.566 3.045 20 0 JGADLO CCOc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164914685 721797270 /nfs/dbraw/zinc/79/72/70/721797270.db2.gz QCMJWRYSLJKNCA-SANMLTNESA-N 1 2 461.566 3.045 20 0 JGADLO CC(C)(C)OC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913956 721799014 /nfs/dbraw/zinc/79/90/14/721799014.db2.gz JFEJHPZOSUOXTM-DEOSSOPVSA-N 1 2 474.989 3.193 20 0 JGADLO CC(C)(C)OC(=O)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913956 721799019 /nfs/dbraw/zinc/79/90/19/721799019.db2.gz JFEJHPZOSUOXTM-DEOSSOPVSA-N 1 2 474.989 3.193 20 0 JGADLO Clc1ncc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Oc2ccccc2)n1 ZINC001164914031 721800534 /nfs/dbraw/zinc/80/05/34/721800534.db2.gz KGIUOGRXQGCMQV-XMMPIXPASA-N 1 2 467.957 3.425 20 0 JGADLO Clc1ncc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Oc2ccccc2)n1 ZINC001164914031 721800535 /nfs/dbraw/zinc/80/05/35/721800535.db2.gz KGIUOGRXQGCMQV-XMMPIXPASA-N 1 2 467.957 3.425 20 0 JGADLO COc1ccc(Oc2nc(Cl)ncc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1 ZINC001164913771 721800927 /nfs/dbraw/zinc/80/09/27/721800927.db2.gz HGOYJOHLMJNURE-RUZDIDTESA-N 1 2 497.983 3.434 20 0 JGADLO COc1ccc(Oc2nc(Cl)ncc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001164913771 721800928 /nfs/dbraw/zinc/80/09/28/721800928.db2.gz HGOYJOHLMJNURE-RUZDIDTESA-N 1 2 497.983 3.434 20 0 JGADLO COc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915721 721801009 /nfs/dbraw/zinc/80/10/09/721801009.db2.gz YVUUGJDVMCZMIO-VWLOTQADSA-N 1 2 497.983 3.434 20 0 JGADLO COc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915721 721801010 /nfs/dbraw/zinc/80/10/10/721801010.db2.gz YVUUGJDVMCZMIO-VWLOTQADSA-N 1 2 497.983 3.434 20 0 JGADLO CCOC(=O)c1cc2c(N3C[C@H]4OCC[N@H+](Cc5c(C)noc5C)[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164946466 721949578 /nfs/dbraw/zinc/94/95/78/721949578.db2.gz VTSHISJFPNWRPH-LEWJYISDSA-N 1 2 453.543 3.051 20 0 JGADLO CCOC(=O)c1cc2c(N3C[C@H]4OCC[N@@H+](Cc5c(C)noc5C)[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164946466 721949580 /nfs/dbraw/zinc/94/95/80/721949580.db2.gz VTSHISJFPNWRPH-LEWJYISDSA-N 1 2 453.543 3.051 20 0 JGADLO O=C1C[C@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)CN1c1ccc2c(c1)OCO2 ZINC001164999320 722219449 /nfs/dbraw/zinc/21/94/49/722219449.db2.gz QPIJZJOFKSGVMD-NDEPHWFRSA-N 1 2 483.572 3.397 20 0 JGADLO O=C1C[C@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)CN1c1ccc2c(c1)OCO2 ZINC001164999320 722219453 /nfs/dbraw/zinc/21/94/53/722219453.db2.gz QPIJZJOFKSGVMD-NDEPHWFRSA-N 1 2 483.572 3.397 20 0 JGADLO COc1cc2c[nH+]c(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)cc2cc1OC ZINC001165004741 722269054 /nfs/dbraw/zinc/26/90/54/722269054.db2.gz CFXNAKJWOARSRL-RUZDIDTESA-N 1 2 450.514 3.319 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCOC[C@@H]2C)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001305796629 1069317102 /nfs/dbraw/zinc/31/71/02/1069317102.db2.gz WFXHFNOYRBLSAO-LNLFQRSKSA-N 1 2 478.638 3.096 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCOC[C@@H]2C)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001305796629 1069317116 /nfs/dbraw/zinc/31/71/16/1069317116.db2.gz WFXHFNOYRBLSAO-LNLFQRSKSA-N 1 2 478.638 3.096 20 0 JGADLO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1)Oc1cccc(F)c1 ZINC001305802331 1069325655 /nfs/dbraw/zinc/32/56/55/1069325655.db2.gz CTYDVVMZSWDAEY-HXUWFJFHSA-N 1 2 481.576 3.135 20 0 JGADLO CC[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001305805461 1069331922 /nfs/dbraw/zinc/33/19/22/1069331922.db2.gz BSNOKIDWYMTCGS-MJGOQNOKSA-N 1 2 469.565 3.407 20 0 JGADLO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)OC ZINC001305811345 1069341635 /nfs/dbraw/zinc/34/16/35/1069341635.db2.gz PYBAAKKSRNEOSH-KRWDZBQOSA-N 1 2 488.434 3.495 20 0 JGADLO CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)OC ZINC001305824788 1069363136 /nfs/dbraw/zinc/36/31/36/1069363136.db2.gz WHXXEHPECJFOMY-LJQANCHMSA-N 1 2 456.616 3.466 20 0 JGADLO CCC(O)(CC)Cn1c(-c2ccccc2C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001305851045 1069404169 /nfs/dbraw/zinc/40/41/69/1069404169.db2.gz ADPYJFRKTYTWAE-QHCPKHFHSA-N 1 2 484.689 3.036 20 0 JGADLO COC(=O)c1cc(Br)c2c(c1)CN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)CCO2 ZINC001305853533 1069408210 /nfs/dbraw/zinc/40/82/10/1069408210.db2.gz LZZMKPMMMIVCPW-KRWDZBQOSA-N 1 2 450.333 3.441 20 0 JGADLO CC[C@]1(C)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001305873794 1069427655 /nfs/dbraw/zinc/42/76/55/1069427655.db2.gz JEDCNUYACURKGJ-QMHWCDLVSA-N 1 2 463.623 3.249 20 0 JGADLO CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001305892337 1069449484 /nfs/dbraw/zinc/44/94/84/1069449484.db2.gz AOIQCSAHPQXMJD-IBGZPJMESA-N 1 2 485.658 3.198 20 0 JGADLO CCC1(CC)CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001305893376 1069450530 /nfs/dbraw/zinc/45/05/30/1069450530.db2.gz JSGVGRCECKSBSV-VWLOTQADSA-N 1 2 463.667 3.446 20 0 JGADLO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc[nH]2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001298208001 1064125237 /nfs/dbraw/zinc/12/52/37/1064125237.db2.gz CPIGBQGSEBMCIK-SFHVURJKSA-N 1 2 459.545 3.205 20 0 JGADLO CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001298219207 1064133317 /nfs/dbraw/zinc/13/33/17/1064133317.db2.gz YGOOALVLVXYFRN-HXUWFJFHSA-N 1 2 469.634 3.304 20 0 JGADLO CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@H]3Cc4c[nH+]cn4C3)cc2)cc1 ZINC001298232828 1064140374 /nfs/dbraw/zinc/14/03/74/1064140374.db2.gz UXTCEHLJOZLQKG-FQEVSTJZSA-N 1 2 452.580 3.014 20 0 JGADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(CC2CC2)n1CCC(=O)NC(C)(C)C ZINC001298241126 1064146514 /nfs/dbraw/zinc/14/65/14/1064146514.db2.gz SWBWGGWTPZNWNO-LJQANCHMSA-N 1 2 474.675 3.107 20 0 JGADLO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001298289508 1064174977 /nfs/dbraw/zinc/17/49/77/1064174977.db2.gz LOPZUMAONHYVEV-SFHVURJKSA-N 1 2 483.560 3.097 20 0 JGADLO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001298289508 1064174984 /nfs/dbraw/zinc/17/49/84/1064174984.db2.gz LOPZUMAONHYVEV-SFHVURJKSA-N 1 2 483.560 3.097 20 0 JGADLO CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)[C@@]1([NH+](C)C)COc2ccccc2C1 ZINC001298477995 1064271061 /nfs/dbraw/zinc/27/10/61/1064271061.db2.gz CJYOCICHTUYONL-NDEPHWFRSA-N 1 2 457.574 3.286 20 0 JGADLO CN(CCC(F)(F)F)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001298600981 1064375101 /nfs/dbraw/zinc/37/51/01/1064375101.db2.gz XCMLLZBPBVDXBE-UHFFFAOYSA-N 1 2 465.455 3.162 20 0 JGADLO CN(CCC(F)F)c1nnc(CN2CCCC2=O)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001298608358 1064379663 /nfs/dbraw/zinc/37/96/63/1064379663.db2.gz SFISIJUILYLHSB-MRXNPFEDSA-N 1 2 456.488 3.073 20 0 JGADLO CN(CCC(F)F)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001298610648 1064382178 /nfs/dbraw/zinc/38/21/78/1064382178.db2.gz PKFBSYLWYUIARF-GOSISDBHSA-N 1 2 498.619 3.349 20 0 JGADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)cc1 ZINC001298695540 1064494698 /nfs/dbraw/zinc/49/46/98/1064494698.db2.gz GEOMJPUDCKUMQH-GMAHTHKFSA-N 1 2 450.501 3.265 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)s2)n1Cc1cccc(O)c1 ZINC001298733345 1064548463 /nfs/dbraw/zinc/54/84/63/1064548463.db2.gz ODSUTEFCZXUZGI-UHFFFAOYSA-N 1 2 478.416 3.291 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCc1cnn(C)c1 ZINC001298737173 1064551496 /nfs/dbraw/zinc/55/14/96/1064551496.db2.gz PHTDBKQZAOFCEU-UHFFFAOYSA-N 1 2 465.646 3.377 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc3ccccc3n2)n1CC(F)(F)Br ZINC001298737193 1064551675 /nfs/dbraw/zinc/55/16/75/1064551675.db2.gz QDCIRMSZXHIYSR-UHFFFAOYSA-N 1 2 481.345 3.249 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2c(F)cccc2F)n1Cc1ccnc(C(F)(F)F)c1 ZINC001298738072 1064552987 /nfs/dbraw/zinc/55/29/87/1064552987.db2.gz FZPQRDUNHNHQSH-UHFFFAOYSA-N 1 2 496.484 3.378 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001298738839 1064553763 /nfs/dbraw/zinc/55/37/63/1064553763.db2.gz OOYQHCMRLMKXEN-LJQANCHMSA-N 1 2 471.499 3.494 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@](C)(O)C1CC1 ZINC001298740450 1064554953 /nfs/dbraw/zinc/55/49/53/1064554953.db2.gz JNXWPXMXJSOPLI-QFIPXVFZSA-N 1 2 466.051 3.153 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(C)CCCO1 ZINC001298740860 1064555640 /nfs/dbraw/zinc/55/56/40/1064555640.db2.gz WRSDWNHTGQPECX-AREMUKBSSA-N 1 2 471.646 3.492 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC1=CCCOC1 ZINC001298740855 1064555835 /nfs/dbraw/zinc/55/58/35/1064555835.db2.gz WGWNEXXCPFUTBR-UHFFFAOYSA-N 1 2 469.630 3.270 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CCc2ccccc2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001298740635 1064555899 /nfs/dbraw/zinc/55/58/99/1064555899.db2.gz PXFPKAMWRQNTQZ-UHFFFAOYSA-N 1 2 474.531 3.294 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(Cl)cc2Cl)n1CCC(C)(C)O ZINC001298741046 1064556436 /nfs/dbraw/zinc/55/64/36/1064556436.db2.gz ZDKQUHXOJABMAZ-UHFFFAOYSA-N 1 2 472.417 3.093 20 0 JGADLO CN(CCS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001298775728 1064581709 /nfs/dbraw/zinc/58/17/09/1064581709.db2.gz SHTRZIJDBCUCSL-SFHVURJKSA-N 1 2 468.048 3.444 20 0 JGADLO CN(CCS(C)(=O)=O)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001298777149 1064583237 /nfs/dbraw/zinc/58/32/37/1064583237.db2.gz ZXFBQKIDLKCTFO-UHFFFAOYSA-N 1 2 486.617 3.389 20 0 JGADLO CN(CCS(C)(=O)=O)c1nnc(Cc2c(F)cccc2F)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001298782724 1064587384 /nfs/dbraw/zinc/58/73/84/1064587384.db2.gz WXFABOVIMISJOW-HXUWFJFHSA-N 1 2 493.580 3.058 20 0 JGADLO CNC(=O)C(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001298926758 1064726482 /nfs/dbraw/zinc/72/64/82/1064726482.db2.gz PVGTWHZUVDNHOA-UHFFFAOYSA-N 1 2 482.032 3.396 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001298966532 1064755988 /nfs/dbraw/zinc/75/59/88/1064755988.db2.gz MOEUAJMLHHACJV-KSSFIOAISA-N 1 2 491.974 3.393 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccccc2OC)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001298969916 1064760755 /nfs/dbraw/zinc/76/07/55/1064760755.db2.gz MTEASNJMOPEFGR-IBGZPJMESA-N 1 2 477.613 3.206 20 0 JGADLO CC[N@@H+]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)[C@@H](C)C1 ZINC001299008923 1064793481 /nfs/dbraw/zinc/79/34/81/1064793481.db2.gz BMNXPCXTBIUTMA-INIZCTEOSA-N 1 2 457.434 3.478 20 0 JGADLO CC[N@H+]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)[C@@H](C)C1 ZINC001299008923 1064793491 /nfs/dbraw/zinc/79/34/91/1064793491.db2.gz BMNXPCXTBIUTMA-INIZCTEOSA-N 1 2 457.434 3.478 20 0 JGADLO CNC(=O)[C@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001299031399 1064817972 /nfs/dbraw/zinc/81/79/72/1064817972.db2.gz YEDIJTVUXSXVEC-RUZDIDTESA-N 1 2 453.635 3.263 20 0 JGADLO CNC(=O)[C@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001299041739 1064832690 /nfs/dbraw/zinc/83/26/90/1064832690.db2.gz WMXPDABVVPRNMA-RUZDIDTESA-N 1 2 495.653 3.051 20 0 JGADLO CNC(=O)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001299102630 1064912548 /nfs/dbraw/zinc/91/25/48/1064912548.db2.gz LPKSLPFQDNFWGC-QGZVFWFLSA-N 1 2 481.576 3.029 20 0 JGADLO COc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc4c[nH+]cn4c3)ccc2F)cc1 ZINC001299122246 1064931463 /nfs/dbraw/zinc/93/14/63/1064931463.db2.gz XKSOKEWWXREYDR-UHFFFAOYSA-N 1 2 454.483 3.213 20 0 JGADLO CO[C@@]1(C)CCCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001299767468 1064963826 /nfs/dbraw/zinc/96/38/26/1064963826.db2.gz DKJLNXSJGDCIRU-VWLOTQADSA-N 1 2 450.587 3.414 20 0 JGADLO CO[C@]1(C)CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001299774047 1064974857 /nfs/dbraw/zinc/97/48/57/1064974857.db2.gz UQHKEBMDJCPNDI-SQJMNOBHSA-N 1 2 457.619 3.282 20 0 JGADLO COC1(C)CN(c2nnc(COc3ccc(Br)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001299787330 1064985048 /nfs/dbraw/zinc/98/50/48/1064985048.db2.gz ZCIKSKVBRWYQMB-UHFFFAOYSA-N 1 2 487.402 3.354 20 0 JGADLO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)C1(C)C ZINC001299818116 1065011790 /nfs/dbraw/zinc/01/17/90/1065011790.db2.gz IYMOHEKZQAFPGC-NHCUHLMSSA-N 1 2 450.608 3.386 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCCNc2cccc[nH+]2)c1 ZINC001299953582 1065234601 /nfs/dbraw/zinc/23/46/01/1065234601.db2.gz MRNFIQQKBTUYBS-UTKZUKDTSA-N 1 2 452.559 3.067 20 0 JGADLO COc1ccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2cc[nH+]c(N3CCCCC3)c2)cc1OC ZINC001299992923 1065300074 /nfs/dbraw/zinc/30/00/74/1065300074.db2.gz WNFLVCZKRXZRFS-SFHVURJKSA-N 1 2 493.612 3.096 20 0 JGADLO Cc1ccc(F)c(CN(C)c2nnc(C(=O)N3CCCC3)n2CCCNc2cccc[nH+]2)c1 ZINC001492208041 1065322023 /nfs/dbraw/zinc/32/20/23/1065322023.db2.gz IKLGYHBPQBGKGP-UHFFFAOYSA-N 1 2 451.550 3.495 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001492240363 1065338116 /nfs/dbraw/zinc/33/81/16/1065338116.db2.gz JTAXORCYTLZISS-NRFANRHFSA-N 1 2 484.645 3.121 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001492240363 1065338124 /nfs/dbraw/zinc/33/81/24/1065338124.db2.gz JTAXORCYTLZISS-NRFANRHFSA-N 1 2 484.645 3.121 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(N)=O)CC3)n2CCCNc2cccc[nH+]2)cc1C ZINC001492250713 1065350650 /nfs/dbraw/zinc/35/06/50/1065350650.db2.gz PZRLJGYAULBYPR-UHFFFAOYSA-N 1 2 490.612 3.136 20 0 JGADLO Cc1ccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001492289103 1065357621 /nfs/dbraw/zinc/35/76/21/1065357621.db2.gz SOPZMFVGBIYYPD-FQEVSTJZSA-N 1 2 454.619 3.115 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)Cc3ccco3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001492323998 1065396714 /nfs/dbraw/zinc/39/67/14/1065396714.db2.gz ZUTPTEKOGGLMPK-UHFFFAOYSA-N 1 2 452.603 3.421 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)Cc3ccco3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001492323998 1065396727 /nfs/dbraw/zinc/39/67/27/1065396727.db2.gz ZUTPTEKOGGLMPK-UHFFFAOYSA-N 1 2 452.603 3.421 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CC2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001492329181 1065399807 /nfs/dbraw/zinc/39/98/07/1065399807.db2.gz HAEADEFSAIBDKV-NHCUHLMSSA-N 1 2 457.619 3.138 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1C ZINC001492336319 1065403531 /nfs/dbraw/zinc/40/35/31/1065403531.db2.gz ADWNOHSBKVJTIP-ZJOUEHCJSA-N 1 2 497.562 3.351 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1C ZINC001492336319 1065403534 /nfs/dbraw/zinc/40/35/34/1065403534.db2.gz ADWNOHSBKVJTIP-ZJOUEHCJSA-N 1 2 497.562 3.351 20 0 JGADLO Cc1ccc(OCCN(C)c2nnc(C(=O)NC(C)C)n2CCc2cn3ccccc3[nH+]2)cc1 ZINC001492419428 1065480423 /nfs/dbraw/zinc/48/04/23/1065480423.db2.gz ZQNSBYYDAOVOLT-UHFFFAOYSA-N 1 2 461.570 3.130 20 0 JGADLO Cc1c(CN(C)c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCOCC2)cnn1C ZINC001492445995 1065500464 /nfs/dbraw/zinc/50/04/64/1065500464.db2.gz NBQIVGXGAOSWJK-IBGZPJMESA-N 1 2 469.659 3.278 20 0 JGADLO CO[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+]2CCOCC2)CC[C@@H]1C ZINC001300803771 1065534961 /nfs/dbraw/zinc/53/49/61/1065534961.db2.gz JTMRBCDBUUZMER-HRCADAONSA-N 1 2 484.464 3.351 20 0 JGADLO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1(C)C ZINC001300845563 1065587381 /nfs/dbraw/zinc/58/73/81/1065587381.db2.gz UVRMGKGWSJMWDB-RBBKRZOGSA-N 1 2 457.619 3.056 20 0 JGADLO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)CC1(C)C ZINC001300845563 1065587391 /nfs/dbraw/zinc/58/73/91/1065587391.db2.gz UVRMGKGWSJMWDB-RBBKRZOGSA-N 1 2 457.619 3.056 20 0 JGADLO CO[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1(C)C ZINC001300846084 1065589311 /nfs/dbraw/zinc/58/93/11/1065589311.db2.gz BQOKOFJPRUHOPY-CTNGQTDRSA-N 1 2 459.660 3.461 20 0 JGADLO CO[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1(C)C ZINC001300846084 1065589323 /nfs/dbraw/zinc/58/93/23/1065589323.db2.gz BQOKOFJPRUHOPY-CTNGQTDRSA-N 1 2 459.660 3.461 20 0 JGADLO COCC(=O)NC1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001300907182 1065705835 /nfs/dbraw/zinc/70/58/35/1065705835.db2.gz FODZNQFDHKFHGL-NRFANRHFSA-N 1 2 490.599 3.248 20 0 JGADLO COCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001300933293 1065733564 /nfs/dbraw/zinc/73/35/64/1065733564.db2.gz RPOJNFDMFDENTA-UHFFFAOYSA-N 1 2 481.601 3.060 20 0 JGADLO COC[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001300969529 1065778486 /nfs/dbraw/zinc/77/84/86/1065778486.db2.gz WLVKUKZYIMVMRI-DLBZAZTESA-N 1 2 459.545 3.123 20 0 JGADLO COC[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001300980325 1065790971 /nfs/dbraw/zinc/79/09/71/1065790971.db2.gz SEMFIUSJRIULGF-KRWDZBQOSA-N 1 2 458.607 3.378 20 0 JGADLO COC[C@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001300987386 1065800194 /nfs/dbraw/zinc/80/01/94/1065800194.db2.gz NDCQZFWKZFPFEP-QGZVFWFLSA-N 1 2 471.993 3.218 20 0 JGADLO COCc1cccc(Cn2c(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)c1 ZINC001301172624 1066006702 /nfs/dbraw/zinc/00/67/02/1066006702.db2.gz XPMJONSNEHHIHW-XMMPIXPASA-N 1 2 484.689 3.002 20 0 JGADLO COC[C@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c[nH+]ccc2OC)C1 ZINC001301232586 1066051450 /nfs/dbraw/zinc/05/14/50/1066051450.db2.gz QBRWSEPTTFKKON-YADARESESA-N 1 2 459.591 3.024 20 0 JGADLO COC[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301296950 1066102219 /nfs/dbraw/zinc/10/22/19/1066102219.db2.gz MDKMEHZIIVGLSX-GBESFXJTSA-N 1 2 464.010 3.265 20 0 JGADLO COC[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001301297422 1066102861 /nfs/dbraw/zinc/10/28/61/1066102861.db2.gz NXSZYCVTNPTKKH-OALUTQOASA-N 1 2 461.582 3.141 20 0 JGADLO COC[C@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001301297422 1066102867 /nfs/dbraw/zinc/10/28/67/1066102867.db2.gz NXSZYCVTNPTKKH-OALUTQOASA-N 1 2 461.582 3.141 20 0 JGADLO COC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC001301376967 1066170636 /nfs/dbraw/zinc/17/06/36/1066170636.db2.gz WEBVLKUOGVBQGF-RXVVDRJESA-N 1 2 452.559 3.091 20 0 JGADLO COC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC001301395842 1066177005 /nfs/dbraw/zinc/17/70/05/1066177005.db2.gz GKOOZUBZONIDGM-AZUAARDMSA-N 1 2 454.550 3.145 20 0 JGADLO COC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001301400563 1066181265 /nfs/dbraw/zinc/18/12/65/1066181265.db2.gz XVKSRABFZCDHBQ-PXNSSMCTSA-N 1 2 477.581 3.363 20 0 JGADLO COC[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001301408860 1066193420 /nfs/dbraw/zinc/19/34/20/1066193420.db2.gz AYHKHOQWVVTPHU-IBGZPJMESA-N 1 2 496.077 3.186 20 0 JGADLO COC[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001301408860 1066193427 /nfs/dbraw/zinc/19/34/27/1066193427.db2.gz AYHKHOQWVVTPHU-IBGZPJMESA-N 1 2 496.077 3.186 20 0 JGADLO COCCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001301430870 1066228574 /nfs/dbraw/zinc/22/85/74/1066228574.db2.gz RTYOMNYISKTRLE-HXUWFJFHSA-N 1 2 462.683 3.062 20 0 JGADLO COCCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001301431731 1066229728 /nfs/dbraw/zinc/22/97/28/1066229728.db2.gz JWHQFJOZKRSKFG-UHFFFAOYSA-N 1 2 497.669 3.356 20 0 JGADLO COCC[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001301449287 1066263028 /nfs/dbraw/zinc/26/30/28/1066263028.db2.gz GXFMJOHPVYGPGX-RUZDIDTESA-N 1 2 473.666 3.203 20 0 JGADLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCOC(F)(F)F)CC1 ZINC001301982427 1066290262 /nfs/dbraw/zinc/29/02/62/1066290262.db2.gz KPEYMBHQJASTTK-SFHVURJKSA-N 1 2 494.562 3.441 20 0 JGADLO CC(C)C(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001301982919 1066291424 /nfs/dbraw/zinc/29/14/24/1066291424.db2.gz WXWRMPULALVUBO-HXUWFJFHSA-N 1 2 455.651 3.099 20 0 JGADLO CC(C)C(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001301982918 1066291499 /nfs/dbraw/zinc/29/14/99/1066291499.db2.gz WXWRMPULALVUBO-FQEVSTJZSA-N 1 2 455.651 3.099 20 0 JGADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1CCc1cn2ccccc2[nH+]1 ZINC001301992255 1066314829 /nfs/dbraw/zinc/31/48/29/1066314829.db2.gz ZDWRSFPUVPOMRL-IRXDYDNUSA-N 1 2 470.574 3.232 20 0 JGADLO COCC[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301505145 1066332053 /nfs/dbraw/zinc/33/20/53/1066332053.db2.gz JLWZTDHHXNPFAO-SFHVURJKSA-N 1 2 466.586 3.334 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC(C(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302011863 1066355729 /nfs/dbraw/zinc/35/57/29/1066355729.db2.gz XCCBUIWLRSDQDG-YKSBVNFPSA-N 1 2 481.707 3.082 20 0 JGADLO CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCn4c[nH+]cc43)c2)cc1 ZINC001301532075 1066360858 /nfs/dbraw/zinc/36/08/58/1066360858.db2.gz HQULQDZNBMUMAZ-NRFANRHFSA-N 1 2 454.552 3.290 20 0 JGADLO COCCCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001301536986 1066365247 /nfs/dbraw/zinc/36/52/47/1066365247.db2.gz KPNIMNVGTQKWCV-QFIPXVFZSA-N 1 2 455.651 3.070 20 0 JGADLO CC(C)(C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001302019860 1066371543 /nfs/dbraw/zinc/37/15/43/1066371543.db2.gz MOUSHZFQTNMEOT-FQEVSTJZSA-N 1 2 489.064 3.310 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC1(O)CCCCCC1 ZINC001302040555 1066413470 /nfs/dbraw/zinc/41/34/70/1066413470.db2.gz BZBGYURWCVWJDQ-IBGZPJMESA-N 1 2 472.634 3.111 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1cc(F)ccc1F ZINC001302041705 1066417164 /nfs/dbraw/zinc/41/71/64/1066417164.db2.gz ILXJLSFONQDYBM-INIZCTEOSA-N 1 2 472.540 3.352 20 0 JGADLO Cc1nc(CCC(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)oc1-c1ccc(Br)cc1 ZINC001302046335 1066429414 /nfs/dbraw/zinc/42/94/14/1066429414.db2.gz RMLMUEMQLPWKTE-GOSISDBHSA-N 1 2 458.360 3.252 20 0 JGADLO COCCCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001301600078 1066443156 /nfs/dbraw/zinc/44/31/56/1066443156.db2.gz OSAAVVHYDYMPMQ-SFHVURJKSA-N 1 2 486.567 3.288 20 0 JGADLO COCCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001301652293 1066520661 /nfs/dbraw/zinc/52/06/61/1066520661.db2.gz IHDWKRAWBNERDF-UHFFFAOYSA-N 1 2 487.402 3.378 20 0 JGADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301656629 1066525939 /nfs/dbraw/zinc/52/59/39/1066525939.db2.gz ZEPMHCJRBBBHCB-WOIUINJBSA-N 1 2 490.599 3.058 20 0 JGADLO O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001301657834 1066526820 /nfs/dbraw/zinc/52/68/20/1066526820.db2.gz FWSJNCXMVGITSF-NRFANRHFSA-N 1 2 459.955 3.198 20 0 JGADLO C[C@H]1Cn2nc(C(=O)N3CC[NH2+][C@@H](c4ccc(Cl)cc4)C3)cc2CN1C(=O)OC(C)(C)C ZINC001301660259 1066530251 /nfs/dbraw/zinc/53/02/51/1066530251.db2.gz CQJPEBJNZJDWBQ-MGPUTAFESA-N 1 2 459.978 3.462 20 0 JGADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301660965 1066531540 /nfs/dbraw/zinc/53/15/40/1066531540.db2.gz LTQOOIRPKYUNGU-QHCPKHFHSA-N 1 2 491.640 3.288 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCOCC3(CC3)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001302104820 1066539244 /nfs/dbraw/zinc/53/92/44/1066539244.db2.gz LJVJZRNTDAWSTG-XLIONFOSSA-N 1 2 479.572 3.200 20 0 JGADLO COCCO[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC001302145800 1066595836 /nfs/dbraw/zinc/59/58/36/1066595836.db2.gz RVJANFXMOFDRDM-XMMPIXPASA-N 1 2 484.689 3.025 20 0 JGADLO CC(C)(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001302173950 1066645671 /nfs/dbraw/zinc/64/56/71/1066645671.db2.gz MKJXEHYWGZYWBR-NRFANRHFSA-N 1 2 476.616 3.155 20 0 JGADLO CC(C)(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001302173950 1066645683 /nfs/dbraw/zinc/64/56/83/1066645683.db2.gz MKJXEHYWGZYWBR-NRFANRHFSA-N 1 2 476.616 3.155 20 0 JGADLO O=C(N1CCO[C@H](C[NH+]2CCOCC2)C1)C1(c2ccccc2Br)CCCCC1 ZINC001301736193 1066658768 /nfs/dbraw/zinc/65/87/68/1066658768.db2.gz GFALFSOAXYUZJE-GOSISDBHSA-N 1 2 451.405 3.211 20 0 JGADLO COCCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)[NH+]1CCOCC1)[C@H]1CC[C@@H](C)C1 ZINC001301757169 1066689613 /nfs/dbraw/zinc/68/96/13/1066689613.db2.gz KRIKHHFOIVTMPP-QTEQDKRBSA-N 1 2 459.610 3.370 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@H](C(C)C)C2)CC1 ZINC001301762762 1066701241 /nfs/dbraw/zinc/70/12/41/1066701241.db2.gz BFMITTXSICCHPK-FPOVZHCZSA-N 1 2 472.609 3.204 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[C@H](C(C)C)C2)CC1 ZINC001301762761 1066701289 /nfs/dbraw/zinc/70/12/89/1066701289.db2.gz BFMITTXSICCHPK-CTNGQTDRSA-N 1 2 472.609 3.204 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2ccccn2)CC1 ZINC001301763755 1066704283 /nfs/dbraw/zinc/70/42/83/1066704283.db2.gz JEYYBBWKLIFYHW-JOCHJYFZSA-N 1 2 491.640 3.230 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCC(F)(F)CC2)CC1 ZINC001301764080 1066704615 /nfs/dbraw/zinc/70/46/15/1066704615.db2.gz MCGDNVUYJOWHME-HXUWFJFHSA-N 1 2 490.599 3.435 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001301765755 1066706521 /nfs/dbraw/zinc/70/65/21/1066706521.db2.gz YRYFTHHZQZWUKT-ROUUACIJSA-N 1 2 493.077 3.177 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC001301765585 1066706777 /nfs/dbraw/zinc/70/67/77/1066706777.db2.gz YCRCTFBLOQOKKY-IBGZPJMESA-N 1 2 480.613 3.174 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N(C)Cc2cc(Br)cs2)CC1 ZINC001301769639 1066713055 /nfs/dbraw/zinc/71/30/55/1066713055.db2.gz CTQNOEZZEMKQLJ-UHFFFAOYSA-N 1 2 483.480 3.101 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCC[C@@H]2Cc2cccs2)CC1 ZINC001301769966 1066713498 /nfs/dbraw/zinc/71/34/98/1066713498.db2.gz HJOMIEUQWXRUGE-HXUWFJFHSA-N 1 2 458.676 3.304 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC001301774735 1066720321 /nfs/dbraw/zinc/72/03/21/1066720321.db2.gz HIIHXLUONOEGTH-YPAWHYETSA-N 1 2 474.694 3.233 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CSc3ccc(C)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001301775146 1066721060 /nfs/dbraw/zinc/72/10/60/1066721060.db2.gz NVAHXNGKCUMHBE-UHFFFAOYSA-N 1 2 456.660 3.279 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CCCc3ccccc3)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001301775143 1066721187 /nfs/dbraw/zinc/72/11/87/1066721187.db2.gz NUQQTPFVHSUWHV-FGZHOGPDSA-N 1 2 452.647 3.242 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(N3CCC(Nc4ccccc4Cl)CC3)nnc2C(C)(C)C)CC1 ZINC001301775083 1066721285 /nfs/dbraw/zinc/72/12/85/1066721285.db2.gz MYTUSRAYABMDAJ-UHFFFAOYSA-N 1 2 488.080 3.474 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001301775900 1066721961 /nfs/dbraw/zinc/72/19/61/1066721961.db2.gz SXECHTDBBFTMLA-NRFANRHFSA-N 1 2 478.563 3.006 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)ccc3C)nnc2N2CCCC[C@H](C)C2)CC1 ZINC001301776181 1066722348 /nfs/dbraw/zinc/72/23/48/1066722348.db2.gz WTTPGOXZLJZFMR-NRFANRHFSA-N 1 2 468.646 3.264 20 0 JGADLO COCCN(Cc1ccc(C)o1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001301780063 1066729091 /nfs/dbraw/zinc/72/90/91/1066729091.db2.gz MHUGQICQIONGQC-NRFANRHFSA-N 1 2 461.607 3.185 20 0 JGADLO Cc1ccc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC001301781808 1066731533 /nfs/dbraw/zinc/73/15/33/1066731533.db2.gz FLYDEQSZWUSCNG-UHFFFAOYSA-N 1 2 452.580 3.463 20 0 JGADLO CC(C)(C)OC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001302231957 1066748273 /nfs/dbraw/zinc/74/82/73/1066748273.db2.gz PNGYOBRKMHOGAS-UHFFFAOYSA-N 1 2 478.601 3.218 20 0 JGADLO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCCc2cccc(C)[nH+]2)C1 ZINC001301826874 1066791642 /nfs/dbraw/zinc/79/16/42/1066791642.db2.gz IDSIRACRAUYMSP-JOCHJYFZSA-N 1 2 450.562 3.449 20 0 JGADLO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001302252978 1066792737 /nfs/dbraw/zinc/79/27/37/1066792737.db2.gz HTXVGXVLNVZKRE-LJQANCHMSA-N 1 2 499.660 3.207 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cnccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001302258437 1066803538 /nfs/dbraw/zinc/80/35/38/1066803538.db2.gz OZZITFSHEOOTHW-BUKVSMQUSA-N 1 2 487.555 3.010 20 0 JGADLO CC(=O)NC1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001301836730 1066807371 /nfs/dbraw/zinc/80/73/71/1066807371.db2.gz QJUGZCUVXCIAFT-UHFFFAOYSA-N 1 2 453.978 3.213 20 0 JGADLO COCCn1c(Cc2ccccc2F)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001301836907 1066808387 /nfs/dbraw/zinc/80/83/87/1066808387.db2.gz SFZGKTJLMUWCFY-FQEVSTJZSA-N 1 2 459.591 3.226 20 0 JGADLO CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001301863430 1066851257 /nfs/dbraw/zinc/85/12/57/1066851257.db2.gz HVJQSGVIDISDOT-HXUWFJFHSA-N 1 2 453.635 3.263 20 0 JGADLO CC(C)(C)[S@](=O)CCn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001302325617 1066925597 /nfs/dbraw/zinc/92/55/97/1066925597.db2.gz CHVOTKSXAKCTRX-JGCGQSQUSA-N 1 2 472.684 3.195 20 0 JGADLO C[N@@H+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C[C@@H]1CO ZINC001302339877 1066938338 /nfs/dbraw/zinc/93/83/38/1066938338.db2.gz LKMWRMNQBDBNKV-LJQANCHMSA-N 1 2 455.356 3.050 20 0 JGADLO C[N@H+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C[C@@H]1CO ZINC001302339877 1066938349 /nfs/dbraw/zinc/93/83/49/1066938349.db2.gz LKMWRMNQBDBNKV-LJQANCHMSA-N 1 2 455.356 3.050 20 0 JGADLO CC(C)(O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001302353537 1066946870 /nfs/dbraw/zinc/94/68/70/1066946870.db2.gz IHKZIBCXQTVKIF-UHFFFAOYSA-N 1 2 458.513 3.429 20 0 JGADLO CON(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001302356723 1066949000 /nfs/dbraw/zinc/94/90/00/1066949000.db2.gz ANKYJJAZTMRBBJ-LJQANCHMSA-N 1 2 452.559 3.140 20 0 JGADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC001301930615 1066968089 /nfs/dbraw/zinc/96/80/89/1066968089.db2.gz MMNMVTCJSCIGNZ-FYYLOGMGSA-N 1 2 497.688 3.449 20 0 JGADLO CC(=O)NCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001301935317 1066975795 /nfs/dbraw/zinc/97/57/95/1066975795.db2.gz KEQUAHSQGKQYMS-UHFFFAOYSA-N 1 2 497.669 3.087 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001302408697 1066991406 /nfs/dbraw/zinc/99/14/06/1066991406.db2.gz JMJXQXCKFWLRKC-PKTZIBPZSA-N 1 2 468.646 3.044 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001302408697 1066991414 /nfs/dbraw/zinc/99/14/14/1066991414.db2.gz JMJXQXCKFWLRKC-PKTZIBPZSA-N 1 2 468.646 3.044 20 0 JGADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302434243 1067026424 /nfs/dbraw/zinc/02/64/24/1067026424.db2.gz NYCBVSDWGPUGJC-LJQANCHMSA-N 1 2 453.635 3.434 20 0 JGADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302435229 1067029182 /nfs/dbraw/zinc/02/91/82/1067029182.db2.gz SGMUNWSGGBBEAF-LJQANCHMSA-N 1 2 455.651 3.365 20 0 JGADLO CC1=C(Br)CN(c2nnc(C(=O)NC(C)C)n2CCCNc2cccc[nH+]2)CC1 ZINC001303999371 1067042073 /nfs/dbraw/zinc/04/20/73/1067042073.db2.gz IXENJPMNBTZFHX-UHFFFAOYSA-N 1 2 462.396 3.193 20 0 JGADLO CC1=C(Br)CN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)CC1 ZINC001304001181 1067044672 /nfs/dbraw/zinc/04/46/72/1067044672.db2.gz NJNIALLJPXTJHA-MRXNPFEDSA-N 1 2 460.380 3.005 20 0 JGADLO CS(=O)(=O)CCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001302456338 1067057950 /nfs/dbraw/zinc/05/79/50/1067057950.db2.gz RGSAUKGZEDSRDE-UHFFFAOYSA-N 1 2 495.436 3.408 20 0 JGADLO Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@@H]2C)cnn1C ZINC001304016524 1067060402 /nfs/dbraw/zinc/06/04/02/1067060402.db2.gz XZSDZYPPMMCQJW-UGKGYDQZSA-N 1 2 481.645 3.434 20 0 JGADLO Cc1c(CN(C)c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@@H]2C)cnn1C ZINC001304016524 1067060414 /nfs/dbraw/zinc/06/04/14/1067060414.db2.gz XZSDZYPPMMCQJW-UGKGYDQZSA-N 1 2 481.645 3.434 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2CC[N@@H+]2CCOC[C@H]2C)c1C ZINC001304020991 1067065593 /nfs/dbraw/zinc/06/55/93/1067065593.db2.gz WMJDAXCFLBNTNM-BAGYTPMASA-N 1 2 457.619 3.371 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2CC[N@H+]2CCOC[C@H]2C)c1C ZINC001304020991 1067065606 /nfs/dbraw/zinc/06/56/06/1067065606.db2.gz WMJDAXCFLBNTNM-BAGYTPMASA-N 1 2 457.619 3.371 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CCC(CC(N)=O)CC3)n2CC(C)(C)[NH+]2CCOCC2)c1C ZINC001304023047 1067067682 /nfs/dbraw/zinc/06/76/82/1067067682.db2.gz ZXOXRWFVRXVKIC-OAQYLSRUSA-N 1 2 498.672 3.238 20 0 JGADLO CC(C)[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001302500483 1067098490 /nfs/dbraw/zinc/09/84/90/1067098490.db2.gz JILYMUQEAPHBOC-SQJMNOBHSA-N 1 2 484.670 3.242 20 0 JGADLO Cc1ncsc1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001304066303 1067111331 /nfs/dbraw/zinc/11/13/31/1067111331.db2.gz UYSFHDDRUSHSSQ-UHFFFAOYSA-N 1 2 488.061 3.400 20 0 JGADLO CSC(C)(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1 ZINC001302513216 1067126986 /nfs/dbraw/zinc/12/69/86/1067126986.db2.gz MBPUREINZWJZCG-KRWDZBQOSA-N 1 2 451.612 3.467 20 0 JGADLO Cc1occc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001304092615 1067136351 /nfs/dbraw/zinc/13/63/51/1067136351.db2.gz OOIAGBODSXLBHE-CTNGQTDRSA-N 1 2 475.590 3.160 20 0 JGADLO Cc1occc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001304092618 1067136379 /nfs/dbraw/zinc/13/63/79/1067136379.db2.gz OOIAGBODSXLBHE-TZIWHRDSSA-N 1 2 475.590 3.160 20 0 JGADLO CSC(C)(C)Cn1c(-c2ccccc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001302518849 1067138528 /nfs/dbraw/zinc/13/85/28/1067138528.db2.gz PAANRPHACLIDHE-QFIPXVFZSA-N 1 2 472.703 3.318 20 0 JGADLO CC(C)C1(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001302537781 1067170764 /nfs/dbraw/zinc/17/07/64/1067170764.db2.gz VOXQJQNAAIEFOZ-BGYRXZFFSA-N 1 2 476.666 3.253 20 0 JGADLO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001304134117 1067173694 /nfs/dbraw/zinc/17/36/94/1067173694.db2.gz YNSCXIFJBUHCFE-UHFFFAOYSA-N 1 2 477.613 3.373 20 0 JGADLO CS[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001302544199 1067177660 /nfs/dbraw/zinc/17/76/60/1067177660.db2.gz CMPPOELXCYJIDN-CQSZACIVSA-N 1 2 480.436 3.406 20 0 JGADLO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CCCNc3cccc[nH+]3)CC2)no1 ZINC001304145406 1067188368 /nfs/dbraw/zinc/18/83/68/1067188368.db2.gz BSQDQXZNOCZAFB-UHFFFAOYSA-N 1 2 466.590 3.168 20 0 JGADLO CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCOCC2)cn1 ZINC001302553587 1067191656 /nfs/dbraw/zinc/19/16/56/1067191656.db2.gz GNZIINPRLMVPIB-FQEVSTJZSA-N 1 2 457.623 3.180 20 0 JGADLO Cc1cc([C@](C)(O)Cn2c(-c3ccccc3Cl)nnc2N(C)CC[NH+]2CCOCC2)c(C)o1 ZINC001304150070 1067195254 /nfs/dbraw/zinc/19/52/54/1067195254.db2.gz KILRWKUJDFFPNI-XMMPIXPASA-N 1 2 474.005 3.484 20 0 JGADLO CS[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001302558631 1067199237 /nfs/dbraw/zinc/19/92/37/1067199237.db2.gz PUMCXZGMTLMUKE-ZWKOTPCHSA-N 1 2 492.640 3.032 20 0 JGADLO CC(C)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302561757 1067201651 /nfs/dbraw/zinc/20/16/51/1067201651.db2.gz INPWOUQSUIHFFN-LJQANCHMSA-N 1 2 498.653 3.282 20 0 JGADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)C2)c1 ZINC001302563518 1067202843 /nfs/dbraw/zinc/20/28/43/1067202843.db2.gz XKXZCMLHIHDZIU-UKILVPOCSA-N 1 2 451.611 3.465 20 0 JGADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)C2)c1 ZINC001302563518 1067202853 /nfs/dbraw/zinc/20/28/53/1067202853.db2.gz XKXZCMLHIHDZIU-UKILVPOCSA-N 1 2 451.611 3.465 20 0 JGADLO CS[C@H](C)Cn1c(COc2ccccc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001302569739 1067208770 /nfs/dbraw/zinc/20/87/70/1067208770.db2.gz OHYONKQUWFNCKN-MRXNPFEDSA-N 1 2 457.579 3.173 20 0 JGADLO CS[C@H](Cn1c(-c2ccccc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302583605 1067222493 /nfs/dbraw/zinc/22/24/93/1067222493.db2.gz MBDRVRXGFLTNMB-OAQYLSRUSA-N 1 2 470.687 3.467 20 0 JGADLO CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001302593387 1067231573 /nfs/dbraw/zinc/23/15/73/1067231573.db2.gz GCNBTFRFCFMKLQ-ANJBCIOQSA-N 1 2 459.637 3.001 20 0 JGADLO CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001302593387 1067231580 /nfs/dbraw/zinc/23/15/80/1067231580.db2.gz GCNBTFRFCFMKLQ-ANJBCIOQSA-N 1 2 459.637 3.001 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCSC[C@@H]3C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304182971 1067233524 /nfs/dbraw/zinc/23/35/24/1067233524.db2.gz FUYKJMKJWTWMPD-NRFANRHFSA-N 1 2 472.703 3.442 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCSC[C@@H]3C)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304182971 1067233528 /nfs/dbraw/zinc/23/35/28/1067233528.db2.gz FUYKJMKJWTWMPD-NRFANRHFSA-N 1 2 472.703 3.442 20 0 JGADLO C[C@H](CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)cc1 ZINC001304193944 1067243602 /nfs/dbraw/zinc/24/36/02/1067243602.db2.gz MUUYNXPVLXEXGI-QGZVFWFLSA-N 1 2 459.388 3.193 20 0 JGADLO Cc1cccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC001304197855 1067247369 /nfs/dbraw/zinc/24/73/69/1067247369.db2.gz DKERNBGQXPAUDG-FQEVSTJZSA-N 1 2 497.669 3.267 20 0 JGADLO CC(C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302629731 1067260057 /nfs/dbraw/zinc/26/00/57/1067260057.db2.gz WJZQWVPZNSEXET-OAQYLSRUSA-N 1 2 499.660 3.375 20 0 JGADLO CC(C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCCn1cc(Br)cn1 ZINC001302644364 1067272620 /nfs/dbraw/zinc/27/26/20/1067272620.db2.gz UJMFZITWTCQCOG-UHFFFAOYSA-N 1 2 473.423 3.475 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(C(N)=O)c3)CC2)nc(C(C)C)[nH+]1 ZINC001304245083 1067279946 /nfs/dbraw/zinc/27/99/46/1067279946.db2.gz GCFKIIOIMDSMSE-UHFFFAOYSA-N 1 2 476.629 3.271 20 0 JGADLO Cc1cc(N2CCN(c3nnc(-c4cccnc4)n3CCOC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245615 1067281246 /nfs/dbraw/zinc/28/12/46/1067281246.db2.gz OCULLNYXVQCGNQ-UHFFFAOYSA-N 1 2 450.591 3.314 20 0 JGADLO Cc1cc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCOCC(F)F)CC2)nc(C(C)C)[nH+]1 ZINC001304246221 1067281622 /nfs/dbraw/zinc/28/16/22/1067281622.db2.gz XDTDPJRROUSHKO-UHFFFAOYSA-N 1 2 460.533 3.103 20 0 JGADLO CSc1ccccc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302658745 1067286734 /nfs/dbraw/zinc/28/67/34/1067286734.db2.gz PLEWPDZHSSIBBS-UHFFFAOYSA-N 1 2 495.653 3.395 20 0 JGADLO CSc1ccccc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCOCC1(C)C ZINC001302658745 1067286740 /nfs/dbraw/zinc/28/67/40/1067286740.db2.gz PLEWPDZHSSIBBS-UHFFFAOYSA-N 1 2 495.653 3.395 20 0 JGADLO CC(C)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001302677962 1067303467 /nfs/dbraw/zinc/30/34/67/1067303467.db2.gz CMMJFWMIMWWXFD-FPOVZHCZSA-N 1 2 480.579 3.375 20 0 JGADLO CC(C)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001302677962 1067303477 /nfs/dbraw/zinc/30/34/77/1067303477.db2.gz CMMJFWMIMWWXFD-FPOVZHCZSA-N 1 2 480.579 3.375 20 0 JGADLO CC(C)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001302677961 1067303625 /nfs/dbraw/zinc/30/36/25/1067303625.db2.gz CMMJFWMIMWWXFD-CTNGQTDRSA-N 1 2 480.579 3.375 20 0 JGADLO CC(C)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001302677961 1067303634 /nfs/dbraw/zinc/30/36/34/1067303634.db2.gz CMMJFWMIMWWXFD-CTNGQTDRSA-N 1 2 480.579 3.375 20 0 JGADLO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001304271832 1067307294 /nfs/dbraw/zinc/30/72/94/1067307294.db2.gz DHOBZOYAVZHJSR-NZQKXSOJSA-N 1 2 484.645 3.414 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001302692172 1067317779 /nfs/dbraw/zinc/31/77/79/1067317779.db2.gz GXFPKTQSJXFBKT-VQTJNVASSA-N 1 2 454.610 3.068 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(OC(F)F)cc1 ZINC001302693893 1067319093 /nfs/dbraw/zinc/31/90/93/1067319093.db2.gz YRWTWVLSSXXJCW-QFIPXVFZSA-N 1 2 492.615 3.282 20 0 JGADLO CC(C)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302704642 1067326914 /nfs/dbraw/zinc/32/69/14/1067326914.db2.gz LCHJPJJIDROTMP-MSOLQXFVSA-N 1 2 462.664 3.454 20 0 JGADLO CC(C)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001302704642 1067326923 /nfs/dbraw/zinc/32/69/23/1067326923.db2.gz LCHJPJJIDROTMP-MSOLQXFVSA-N 1 2 462.664 3.454 20 0 JGADLO CC(C)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302704644 1067327161 /nfs/dbraw/zinc/32/71/61/1067327161.db2.gz LCHJPJJIDROTMP-ROUUACIJSA-N 1 2 462.664 3.454 20 0 JGADLO CC(C)c1nnc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302704644 1067327181 /nfs/dbraw/zinc/32/71/81/1067327181.db2.gz LCHJPJJIDROTMP-ROUUACIJSA-N 1 2 462.664 3.454 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCNc2cccc[nH+]2)c1 ZINC001304288323 1067331812 /nfs/dbraw/zinc/33/18/12/1067331812.db2.gz FNQFRMPELHRTHQ-HXUWFJFHSA-N 1 2 463.586 3.038 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CC(F)(F)F)c1 ZINC001304291168 1067338821 /nfs/dbraw/zinc/33/88/21/1067338821.db2.gz LNKSQMYISNAEDR-UHFFFAOYSA-N 1 2 461.492 3.461 20 0 JGADLO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001302730164 1067345030 /nfs/dbraw/zinc/34/50/30/1067345030.db2.gz IVDVKUAYALYRGF-NHCUHLMSSA-N 1 2 477.650 3.324 20 0 JGADLO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001302730164 1067345038 /nfs/dbraw/zinc/34/50/38/1067345038.db2.gz IVDVKUAYALYRGF-NHCUHLMSSA-N 1 2 477.650 3.324 20 0 JGADLO CSCC[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001302731902 1067345965 /nfs/dbraw/zinc/34/59/65/1067345965.db2.gz OGZBLWCOFHHXCK-TZIWHRDSSA-N 1 2 498.701 3.386 20 0 JGADLO CSCCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001302735471 1067348353 /nfs/dbraw/zinc/34/83/53/1067348353.db2.gz MCDLJDBQKMJORW-UHFFFAOYSA-N 1 2 471.675 3.461 20 0 JGADLO Cc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)o1 ZINC001304309589 1067357055 /nfs/dbraw/zinc/35/70/55/1067357055.db2.gz FMYLGVSZXXQCKH-SBUREZEXSA-N 1 2 458.513 3.129 20 0 JGADLO Cc1ccc(-c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCCCCS(C)(=O)=O)o1 ZINC001304315855 1067363544 /nfs/dbraw/zinc/36/35/44/1067363544.db2.gz FZFMLLCTVFXLOJ-UHFFFAOYSA-N 1 2 472.615 3.085 20 0 JGADLO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)o1 ZINC001304321987 1067369170 /nfs/dbraw/zinc/36/91/70/1067369170.db2.gz IQKBWNHQLSGGBE-MSOLQXFVSA-N 1 2 474.606 3.013 20 0 JGADLO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)o1 ZINC001304321987 1067369181 /nfs/dbraw/zinc/36/91/81/1067369181.db2.gz IQKBWNHQLSGGBE-MSOLQXFVSA-N 1 2 474.606 3.013 20 0 JGADLO Cc1ccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCCNc2cccc[nH+]2)o1 ZINC001304322670 1067370489 /nfs/dbraw/zinc/37/04/89/1067370489.db2.gz YYEHYARZKYEADO-UHFFFAOYSA-N 1 2 466.590 3.374 20 0 JGADLO Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNc2cccc[nH+]2)o1 ZINC001304331348 1067378929 /nfs/dbraw/zinc/37/89/29/1067378929.db2.gz MRGBWRUWIQZAHD-ROUUACIJSA-N 1 2 473.603 3.028 20 0 JGADLO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[NH+]2CCOCC2)CCS1 ZINC001302790229 1067381785 /nfs/dbraw/zinc/38/17/85/1067381785.db2.gz YPROAZTWTYKQOQ-XRXFAXGQSA-N 1 2 465.708 3.495 20 0 JGADLO Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[NH+]2CCOCC2)c(C)c1 ZINC001304349459 1067390895 /nfs/dbraw/zinc/39/08/95/1067390895.db2.gz LPLSOVNUZCSAIB-UHFFFAOYSA-N 1 2 473.419 3.469 20 0 JGADLO CC(C)[C@@H]1OCCC[C@H]1Cn1c(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001302807554 1067394955 /nfs/dbraw/zinc/39/49/55/1067394955.db2.gz RIBXRQSODQYCRT-VXNXHJTFSA-N 1 2 490.737 3.258 20 0 JGADLO Cc1cn2c([nH+]1)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)ccc1F)CCC2 ZINC001304364168 1067403014 /nfs/dbraw/zinc/40/30/14/1067403014.db2.gz DZFAXTKNDKCATO-QZTJIDSGSA-N 1 2 489.621 3.055 20 0 JGADLO Cc1ccc(CSCCn2c([C@@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001304366200 1067405792 /nfs/dbraw/zinc/40/57/92/1067405792.db2.gz DQOWLFWQBFRJBH-JOCHJYFZSA-N 1 2 459.660 3.182 20 0 JGADLO CC(C)Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302827515 1067417036 /nfs/dbraw/zinc/41/70/36/1067417036.db2.gz APDIXADOWXYGGP-PMACEKPBSA-N 1 2 470.618 3.351 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)[C@H]3CCSC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001304379269 1067423940 /nfs/dbraw/zinc/42/39/40/1067423940.db2.gz QSYLQTCZSARUDM-FCHUYYIVSA-N 1 2 486.686 3.446 20 0 JGADLO CC(C)Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302840734 1067426869 /nfs/dbraw/zinc/42/68/69/1067426869.db2.gz VODYZNLECKEHLV-UHFFFAOYSA-N 1 2 455.994 3.441 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1C ZINC001304386325 1067440374 /nfs/dbraw/zinc/44/03/74/1067440374.db2.gz DQJJATUGINUDLQ-KDURUIRLSA-N 1 2 463.586 3.270 20 0 JGADLO CC(C)Cc1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1CCCNc1cccc[nH+]1 ZINC001302878540 1067460512 /nfs/dbraw/zinc/46/05/12/1067460512.db2.gz GKXCFOSTVCDNFJ-UHFFFAOYSA-N 1 2 461.614 3.397 20 0 JGADLO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001304401137 1067464301 /nfs/dbraw/zinc/46/43/01/1067464301.db2.gz YEKLKBLHJKZAJG-IBGZPJMESA-N 1 2 468.602 3.436 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@](C)(O)C2CCCCC2)cc1 ZINC001304402966 1067465250 /nfs/dbraw/zinc/46/52/50/1067465250.db2.gz BXZZCROLMHAZJB-SANMLTNESA-N 1 2 471.646 3.265 20 0 JGADLO CC(C)Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001302886295 1067466734 /nfs/dbraw/zinc/46/67/34/1067466734.db2.gz JBCHYAHBOMODFW-UHFFFAOYSA-N 1 2 463.630 3.464 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCCNc2cccc[nH+]2)cc1C ZINC001304408613 1067473941 /nfs/dbraw/zinc/47/39/41/1067473941.db2.gz UPZLVQHEQQQSKO-VWLOTQADSA-N 1 2 463.586 3.073 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001304408935 1067474404 /nfs/dbraw/zinc/47/44/04/1067474404.db2.gz YGCWUXFWBMYVDO-HBFSDRIKSA-N 1 2 483.535 3.042 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001304419145 1067493652 /nfs/dbraw/zinc/49/36/52/1067493652.db2.gz LVNSVOOGUUAQPC-NRFANRHFSA-N 1 2 491.640 3.368 20 0 JGADLO CC(C)Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302934405 1067509023 /nfs/dbraw/zinc/50/90/23/1067509023.db2.gz XUYBKFKIRXPDSQ-UHFFFAOYSA-N 1 2 493.631 3.406 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)C[C@@H]3CCOC3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001304430975 1067509029 /nfs/dbraw/zinc/50/90/29/1067509029.db2.gz JYWXSKXMZIAVHB-FQEVSTJZSA-N 1 2 459.660 3.462 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)C[C@H]3CCOC3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001304430976 1067509100 /nfs/dbraw/zinc/50/91/00/1067509100.db2.gz JYWXSKXMZIAVHB-HXUWFJFHSA-N 1 2 459.660 3.462 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001304440287 1067520857 /nfs/dbraw/zinc/52/08/57/1067520857.db2.gz ICYJZPRNEOFZIF-FQEVSTJZSA-N 1 2 491.708 3.478 20 0 JGADLO Cc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCC(CCC(N)=O)CC2)[NH+]2CCOCC2)c1 ZINC001304442394 1067523395 /nfs/dbraw/zinc/52/33/95/1067523395.db2.gz JGIOBPYIGWUSRU-HSZRJFAPSA-N 1 2 468.646 3.265 20 0 JGADLO Cc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCC(C)C)[NH+]2CCOCC2)c1 ZINC001304442449 1067523735 /nfs/dbraw/zinc/52/37/35/1067523735.db2.gz KMRIPRMHQIRORL-VXKWHMMOSA-N 1 2 454.619 3.093 20 0 JGADLO Cc1cccc(CC2(O)CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)[NH+]3CCOCC3)CC2)c1 ZINC001304482171 1067561698 /nfs/dbraw/zinc/56/16/98/1067561698.db2.gz MRPODOBKFISSGO-JOCHJYFZSA-N 1 2 469.674 3.470 20 0 JGADLO Cc1cccc(CCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)[nH+]1 ZINC001304482877 1067562398 /nfs/dbraw/zinc/56/23/98/1067562398.db2.gz RTHDIJMUUHPASR-MGBGTMOVSA-N 1 2 463.611 3.389 20 0 JGADLO CC(C)CC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001303010159 1067564823 /nfs/dbraw/zinc/56/48/23/1067564823.db2.gz KURWVGPZSWZTMB-IDISGSTGSA-N 1 2 499.704 3.040 20 0 JGADLO Cc1cccc(CCCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)[C@@H](C)CC(N)=O)[nH+]1 ZINC001304486358 1067564877 /nfs/dbraw/zinc/56/48/77/1067564877.db2.gz LAFRTLYHRWLHMN-PMACEKPBSA-N 1 2 499.660 3.429 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)[C@H](C)CC(N)=O)[nH+]1 ZINC001304486366 1067564945 /nfs/dbraw/zinc/56/49/45/1067564945.db2.gz LAFRTLYHRWLHMN-WOJBJXKFSA-N 1 2 499.660 3.429 20 0 JGADLO Cc1cccc(CCCn2c([C@H]3CCOC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001304487055 1067565637 /nfs/dbraw/zinc/56/56/37/1067565637.db2.gz ROIGFZUGMWWYIM-AZUAARDMSA-N 1 2 456.591 3.222 20 0 JGADLO Cc1cccc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](C)(C(N)=O)C2)[nH+]1 ZINC001304487259 1067565946 /nfs/dbraw/zinc/56/59/46/1067565946.db2.gz WGPLQJQBSZNVPZ-XMMPIXPASA-N 1 2 454.525 3.185 20 0 JGADLO Cc1cccc(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)[nH+]1 ZINC001304488323 1067566731 /nfs/dbraw/zinc/56/67/31/1067566731.db2.gz GDKQEWCRARTCOW-NRFANRHFSA-N 1 2 490.029 3.470 20 0 JGADLO Cc1cccc(CCCn2c(N3CCC[C@H](NC(=O)C(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)[nH+]1 ZINC001304488539 1067567047 /nfs/dbraw/zinc/56/70/47/1067567047.db2.gz KQQFYYCTBXQBNR-HOFKKMOUSA-N 1 2 498.672 3.396 20 0 JGADLO Cc1cccc(CCCn2c(Nc3ccn(C)n3)nnc2-c2cccc(S(C)(=O)=O)c2)[nH+]1 ZINC001304488589 1067567127 /nfs/dbraw/zinc/56/71/27/1067567127.db2.gz LOVVKBPUUIMLAV-UHFFFAOYSA-N 1 2 451.556 3.162 20 0 JGADLO CC(C)CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001303050102 1067590882 /nfs/dbraw/zinc/59/08/82/1067590882.db2.gz OYVASTOZEPZQTH-OAQYLSRUSA-N 1 2 474.675 3.486 20 0 JGADLO Cc1ccccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001304527282 1067599757 /nfs/dbraw/zinc/59/97/57/1067599757.db2.gz ZTTUOVBSWHEXPF-HXUWFJFHSA-N 1 2 472.634 3.277 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCS(=O)(=O)C(C)(C)C ZINC001304530581 1067602263 /nfs/dbraw/zinc/60/22/63/1067602263.db2.gz BSEKYKXBHXAEIW-UHFFFAOYSA-N 1 2 482.654 3.491 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001304534268 1067604819 /nfs/dbraw/zinc/60/48/19/1067604819.db2.gz IMLWUUIWZHNPFF-QUCCMNQESA-N 1 2 457.600 3.163 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001304534687 1067605126 /nfs/dbraw/zinc/60/51/26/1067605126.db2.gz KLGHKNICAFMESY-YADHBBJMSA-N 1 2 489.686 3.014 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304534687 1067605130 /nfs/dbraw/zinc/60/51/30/1067605130.db2.gz KLGHKNICAFMESY-YADHBBJMSA-N 1 2 489.686 3.014 20 0 JGADLO Cc1ccccc1-c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCOC(C)(C)C ZINC001304537022 1067608580 /nfs/dbraw/zinc/60/85/80/1067608580.db2.gz KVOMAASCGWEQGC-QHCPKHFHSA-N 1 2 484.689 3.300 20 0 JGADLO Cc1ccccc1-c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCOC(C)(C)C ZINC001304537021 1067608613 /nfs/dbraw/zinc/60/86/13/1067608613.db2.gz KVOMAASCGWEQGC-HSZRJFAPSA-N 1 2 484.689 3.300 20 0 JGADLO Cc1ccccc1Cc1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001304546653 1067615926 /nfs/dbraw/zinc/61/59/26/1067615926.db2.gz BKTFUGOZEFRQSO-UHFFFAOYSA-N 1 2 480.560 3.469 20 0 JGADLO Cc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001304569923 1067637469 /nfs/dbraw/zinc/63/74/69/1067637469.db2.gz FYWWHUSWKHNWEL-HXUWFJFHSA-N 1 2 459.660 3.031 20 0 JGADLO Cc1ccccc1C[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001304569813 1067637474 /nfs/dbraw/zinc/63/74/74/1067637474.db2.gz CZGYJJRAPNFFLG-UHFFFAOYSA-N 1 2 496.681 3.108 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cccs1)CCC2 ZINC001304607428 1067674616 /nfs/dbraw/zinc/67/46/16/1067674616.db2.gz ZMHRUZYSJIQVBX-ZACQAIPSSA-N 1 2 477.660 3.230 20 0 JGADLO Cc1cnc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccc(F)c3)CC2)s1 ZINC001304608589 1067676598 /nfs/dbraw/zinc/67/65/98/1067676598.db2.gz OZYBPKFZIVJVNC-QGZVFWFLSA-N 1 2 485.633 3.446 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c(Cc3ccc(Cl)cc3)nnc1N(C)[C@H](C)CS(C)(=O)=O)CCC2 ZINC001304609785 1067676895 /nfs/dbraw/zinc/67/68/95/1067676895.db2.gz WZDPFMKSFJVEES-MJGOQNOKSA-N 1 2 491.061 3.474 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c(Cc3ccc(Cl)cc3)nnc1N(C)[C@@H](C)CS(C)(=O)=O)CCC2 ZINC001304609783 1067676915 /nfs/dbraw/zinc/67/69/15/1067676915.db2.gz WZDPFMKSFJVEES-HKUYNNGSSA-N 1 2 491.061 3.474 20 0 JGADLO CC(C)CN(C)c1nnc(COc2ccccc2F)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001303143609 1067682338 /nfs/dbraw/zinc/68/23/38/1067682338.db2.gz ZRDGJEFKORARPT-UHFFFAOYSA-N 1 2 454.550 3.368 20 0 JGADLO Cc1csc([C@H](C)Cn2c(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)n1 ZINC001304617904 1067686003 /nfs/dbraw/zinc/68/60/03/1067686003.db2.gz DUKFTCRNMHDFGW-TZIWHRDSSA-N 1 2 489.734 3.375 20 0 JGADLO Cc1csc(CCCCn2c(CC(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1 ZINC001304626091 1067696541 /nfs/dbraw/zinc/69/65/41/1067696541.db2.gz MBXHBUISFNTYSY-OAQYLSRUSA-N 1 2 487.718 3.397 20 0 JGADLO CC(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001303161747 1067698764 /nfs/dbraw/zinc/69/87/64/1067698764.db2.gz BDWHCJUUKFVECF-UXHICEINSA-N 1 2 472.609 3.346 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001303191954 1067726437 /nfs/dbraw/zinc/72/64/37/1067726437.db2.gz KRBDUZKJLKXRSV-RTBURBONSA-N 1 2 473.634 3.174 20 0 JGADLO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C1=O ZINC001303195882 1067729102 /nfs/dbraw/zinc/72/91/02/1067729102.db2.gz FKEJQCYHEAMDJD-LADGPHEKSA-N 1 2 496.700 3.461 20 0 JGADLO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C1=O ZINC001303195882 1067729106 /nfs/dbraw/zinc/72/91/06/1067729106.db2.gz FKEJQCYHEAMDJD-LADGPHEKSA-N 1 2 496.700 3.461 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001303196018 1067729434 /nfs/dbraw/zinc/72/94/34/1067729434.db2.gz NGNSALMWJCXEIB-QHCPKHFHSA-N 1 2 473.687 3.056 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001303196017 1067729605 /nfs/dbraw/zinc/72/96/05/1067729605.db2.gz NGNSALMWJCXEIB-HSZRJFAPSA-N 1 2 473.687 3.056 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C4CC4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001304699599 1067769695 /nfs/dbraw/zinc/76/96/95/1067769695.db2.gz INOKLKYKXYYVQH-INIZCTEOSA-N 1 2 475.663 3.498 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)Cc3cccs3)CC2)s1 ZINC001304700642 1067771336 /nfs/dbraw/zinc/77/13/36/1067771336.db2.gz PKZHMYQWCKDRKW-QGZVFWFLSA-N 1 2 487.699 3.444 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CCOc3c(C)cccc3C)CC2)s1 ZINC001304701015 1067771899 /nfs/dbraw/zinc/77/18/99/1067771899.db2.gz XNZQFEFBPDIZNX-UHFFFAOYSA-N 1 2 497.669 3.199 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CCCc4ccccc4)n3CC[S@@](=O)C(C)(C)C)CC2)cc[nH+]1 ZINC001304701425 1067772142 /nfs/dbraw/zinc/77/21/42/1067772142.db2.gz FKTMLYKKJYTIIB-PGUFJCEWSA-N 1 2 495.697 3.426 20 0 JGADLO Cc1nc(N2CCN(c3nnc(-c4ccccc4)n3CC(F)(F)Br)CC2)cc[nH+]1 ZINC001304702582 1067774498 /nfs/dbraw/zinc/77/44/98/1067774498.db2.gz VCDXCYRWKSVMLI-UHFFFAOYSA-N 1 2 464.318 3.358 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CC(C)C)n3C[C@](C)(O)c3ccccc3Cl)CC2)cc[nH+]1 ZINC001304702546 1067774569 /nfs/dbraw/zinc/77/45/69/1067774569.db2.gz TZYJTRKKDZDZNS-DEOSSOPVSA-N 1 2 470.021 3.463 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CC(C)C)n3Cc3c(Cl)c(C(F)(F)F)nn3C)CC2)cc[nH+]1 ZINC001304702633 1067774577 /nfs/dbraw/zinc/77/45/77/1067774577.db2.gz WWDRQABWVVESBL-UHFFFAOYSA-N 1 2 497.957 3.356 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CC(C)C)n3Cc3cccc(C(F)(F)F)n3)CC2)cc[nH+]1 ZINC001304702647 1067774957 /nfs/dbraw/zinc/77/49/57/1067774957.db2.gz XHEYHXQIIXAJGO-UHFFFAOYSA-N 1 2 460.508 3.364 20 0 JGADLO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[N@@H+]1CCOC[C@H]1C ZINC001304712102 1067783244 /nfs/dbraw/zinc/78/32/44/1067783244.db2.gz HOIFMYKWRLTWLD-YLJYHZDGSA-N 1 2 485.608 3.265 20 0 JGADLO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[N@H+]1CCOC[C@H]1C ZINC001304712102 1067783253 /nfs/dbraw/zinc/78/32/53/1067783253.db2.gz HOIFMYKWRLTWLD-YLJYHZDGSA-N 1 2 485.608 3.265 20 0 JGADLO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[N@@H+]1CCOC[C@H]1C ZINC001304712101 1067783334 /nfs/dbraw/zinc/78/33/34/1067783334.db2.gz HOIFMYKWRLTWLD-XLIONFOSSA-N 1 2 485.608 3.265 20 0 JGADLO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC[N@H+]1CCOC[C@H]1C ZINC001304712101 1067783342 /nfs/dbraw/zinc/78/33/42/1067783342.db2.gz HOIFMYKWRLTWLD-XLIONFOSSA-N 1 2 485.608 3.265 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CC[C@H](F)C3)CC2)C1 ZINC001303317772 1067847479 /nfs/dbraw/zinc/84/74/79/1067847479.db2.gz CSCPLIPOECGZHT-BHIFYINESA-N 1 2 464.674 3.236 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CC[C@@H](F)C3)CC2)C1 ZINC001303317771 1067847602 /nfs/dbraw/zinc/84/76/02/1067847602.db2.gz CSCPLIPOECGZHT-BHDDXSALSA-N 1 2 464.674 3.236 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1CC[N@@H+]1CCOCC1(C)C ZINC001303323640 1067852076 /nfs/dbraw/zinc/85/20/76/1067852076.db2.gz GFSPLKOUAWEEGU-INIZCTEOSA-N 1 2 464.561 3.003 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2cc(F)ccc2F)n1CC[N@H+]1CCOCC1(C)C ZINC001303323640 1067852083 /nfs/dbraw/zinc/85/20/83/1067852083.db2.gz GFSPLKOUAWEEGU-INIZCTEOSA-N 1 2 464.561 3.003 20 0 JGADLO Cc1cc(C)n(CCCn2c(C)nnc2N2CC[NH+](CCOc3ccccc3Cl)CC2)n1 ZINC001304770553 1067861490 /nfs/dbraw/zinc/86/14/90/1067861490.db2.gz BENYMBRGXAFIRQ-UHFFFAOYSA-N 1 2 458.010 3.345 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001303331614 1067861734 /nfs/dbraw/zinc/86/17/34/1067861734.db2.gz OLYNPOWOSSNPIK-HXUWFJFHSA-N 1 2 496.578 3.428 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)CCc2cccs2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001303340740 1067869141 /nfs/dbraw/zinc/86/91/41/1067869141.db2.gz ZYKGVVAMNJJJNA-UHFFFAOYSA-N 1 2 482.654 3.037 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)C2CCCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001303343439 1067871911 /nfs/dbraw/zinc/87/19/11/1067871911.db2.gz LWHGKOHCIOQGDQ-UXHICEINSA-N 1 2 483.661 3.490 20 0 JGADLO Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CCCNc1cccc[nH+]1 ZINC001304834659 1067897171 /nfs/dbraw/zinc/89/71/71/1067897171.db2.gz JUEGWYWPWPGSFO-KRWDZBQOSA-N 1 2 454.966 3.387 20 0 JGADLO Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001304849965 1067903699 /nfs/dbraw/zinc/90/36/99/1067903699.db2.gz LDXKPRPBQVXTKZ-LJQANCHMSA-N 1 2 460.554 3.192 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCc1csc(C(C)(C)C)n1 ZINC001303377814 1067907585 /nfs/dbraw/zinc/90/75/85/1067907585.db2.gz BWSPOAPJMOKJBE-UHFFFAOYSA-N 1 2 496.685 3.437 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@H]1CCOC[C@H]1C ZINC001303407566 1067934544 /nfs/dbraw/zinc/93/45/44/1067934544.db2.gz GQENFNZYXDDLQH-UYAOXDASSA-N 1 2 475.037 3.065 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(CC4CC4)n3CCCN(C)C(=O)OC(C)(C)C)CC2)on1 ZINC001304901337 1067944864 /nfs/dbraw/zinc/94/48/64/1067944864.db2.gz CXFSSRYTHUBMDF-UHFFFAOYSA-N 1 2 473.622 3.106 20 0 JGADLO CC(C)Oc1cccc(CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001303517569 1068051241 /nfs/dbraw/zinc/05/12/41/1068051241.db2.gz QHGJWJIADLMAIU-UHFFFAOYSA-N 1 2 477.613 3.447 20 0 JGADLO CN(Cc1nnc2n1CCC[C@H]2C(F)(F)F)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001303524517 1068054637 /nfs/dbraw/zinc/05/46/37/1068054637.db2.gz HCHUKFZQDFNEKC-SJLPKXTDSA-N 1 2 453.534 3.466 20 0 JGADLO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303588879 1068109880 /nfs/dbraw/zinc/10/98/80/1068109880.db2.gz DUUHCPBSOOIYOA-MRXNPFEDSA-N 1 2 469.540 3.385 20 0 JGADLO CC1CCN(c2ccc(Cn3c(CN4CCCC4=O)nnc3N(C)CC(F)(F)F)c[nH+]2)CC1 ZINC001305064248 1068134936 /nfs/dbraw/zinc/13/49/36/1068134936.db2.gz AIBXTQHJOITENO-UHFFFAOYSA-N 1 2 465.524 3.079 20 0 JGADLO CC(C)C(=O)NCCN(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305064328 1068135065 /nfs/dbraw/zinc/13/50/65/1068135065.db2.gz BYSQBNZXASFXOO-UHFFFAOYSA-N 1 2 453.635 3.119 20 0 JGADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305064256 1068135135 /nfs/dbraw/zinc/13/51/35/1068135135.db2.gz AMGJUHJQUMMZRF-WOJBJXKFSA-N 1 2 497.669 3.278 20 0 JGADLO COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1c[nH+]ccc1Nc1ccccc1)C2 ZINC001303640779 1068167907 /nfs/dbraw/zinc/16/79/07/1068167907.db2.gz QBVKNXBUHDWGKS-QKSGUBBWSA-N 1 2 480.565 3.166 20 0 JGADLO C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001305106683 1068174725 /nfs/dbraw/zinc/17/47/25/1068174725.db2.gz HHPMHCWKZVDEIN-YTQUADARSA-N 1 2 455.607 3.404 20 0 JGADLO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001305113344 1068189487 /nfs/dbraw/zinc/18/94/87/1068189487.db2.gz NUAGWZCQLVCXIE-HDICACEKSA-N 1 2 498.093 3.357 20 0 JGADLO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001305113344 1068189494 /nfs/dbraw/zinc/18/94/94/1068189494.db2.gz NUAGWZCQLVCXIE-HDICACEKSA-N 1 2 498.093 3.357 20 0 JGADLO CC(C)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305122824 1068206884 /nfs/dbraw/zinc/20/68/84/1068206884.db2.gz QOXIDYSAQMLWEV-SOLBZPMBSA-N 1 2 468.524 3.226 20 0 JGADLO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305126334 1068212950 /nfs/dbraw/zinc/21/29/50/1068212950.db2.gz CJDYMSDEYUOFPL-ICSRJNTNSA-N 1 2 499.660 3.205 20 0 JGADLO C[C@H](CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)[NH+](C)C)c1nccs1 ZINC001303681943 1068217930 /nfs/dbraw/zinc/21/79/30/1068217930.db2.gz AQZRQOPLQPPUBS-BRWVUGGUSA-N 1 2 494.712 3.241 20 0 JGADLO C[C@H](CN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCOC[C@@H]1C)c1nccs1 ZINC001303683089 1068220176 /nfs/dbraw/zinc/22/01/76/1068220176.db2.gz YURWTWRVYIOIBQ-MSOLQXFVSA-N 1 2 474.606 3.413 20 0 JGADLO C[C@H](CN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCOC[C@@H]1C)c1nccs1 ZINC001303683089 1068220184 /nfs/dbraw/zinc/22/01/84/1068220184.db2.gz YURWTWRVYIOIBQ-MSOLQXFVSA-N 1 2 474.606 3.413 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H](C)Oc1ccccc1F ZINC001303690308 1068230011 /nfs/dbraw/zinc/23/00/11/1068230011.db2.gz YNWUFYFQRNBMKO-FCHUYYIVSA-N 1 2 488.652 3.239 20 0 JGADLO C[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CC[NH+]1CCOCC1)Oc1ccc(Cl)cc1 ZINC001303703480 1068248170 /nfs/dbraw/zinc/24/81/70/1068248170.db2.gz RAQCQMWFTSSHNQ-SFHVURJKSA-N 1 2 456.978 3.229 20 0 JGADLO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1(C)C)[NH+]1CCOCC1 ZINC001303718620 1068267359 /nfs/dbraw/zinc/26/73/59/1068267359.db2.gz QQGLCFYTZDIYIU-WOJBJXKFSA-N 1 2 476.666 3.492 20 0 JGADLO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1(C)C)[NH+]1CCOCC1 ZINC001303718619 1068267412 /nfs/dbraw/zinc/26/74/12/1068267412.db2.gz QQGLCFYTZDIYIU-VQTJNVASSA-N 1 2 476.666 3.492 20 0 JGADLO C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)s1)[NH+]1CCOCC1 ZINC001303726789 1068279802 /nfs/dbraw/zinc/27/98/02/1068279802.db2.gz AGFLSMFKKBGMMT-MRXNPFEDSA-N 1 2 491.459 3.445 20 0 JGADLO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001303728884 1068284175 /nfs/dbraw/zinc/28/41/75/1068284175.db2.gz WGINKIRDVCVQEU-KRWDZBQOSA-N 1 2 458.969 3.414 20 0 JGADLO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303733156 1068288991 /nfs/dbraw/zinc/28/89/91/1068288991.db2.gz QSPOIZXMJVGTER-QUCCMNQESA-N 1 2 490.674 3.097 20 0 JGADLO C[C@H](Cn1c(CCc2ccccc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[NH+]1CCOCC1 ZINC001303734122 1068290166 /nfs/dbraw/zinc/29/01/66/1068290166.db2.gz BWIIBKDPRRDCPE-GOSISDBHSA-N 1 2 491.562 3.173 20 0 JGADLO CC(C)N(C)C(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001303735007 1068291767 /nfs/dbraw/zinc/29/17/67/1068291767.db2.gz UFVPJYCEUMSDDB-QHCPKHFHSA-N 1 2 496.700 3.257 20 0 JGADLO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001303738093 1068297059 /nfs/dbraw/zinc/29/70/59/1068297059.db2.gz SBDOUVOFGVYLNJ-DLBZAZTESA-N 1 2 453.509 3.198 20 0 JGADLO C[C@@H](Cn1c(N(CCO)Cc2cc(Br)ccc2F)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001303738067 1068297235 /nfs/dbraw/zinc/29/72/35/1068297235.db2.gz ITSWOMMIFVNBDL-INIZCTEOSA-N 1 2 498.441 3.197 20 0 JGADLO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001303738739 1068298168 /nfs/dbraw/zinc/29/81/68/1068298168.db2.gz VKUPCYBQAQTRQK-GPMSIDNRSA-N 1 2 471.499 3.352 20 0 JGADLO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSC(C)(C)C1)[NH+]1CCOCC1 ZINC001303744487 1068305168 /nfs/dbraw/zinc/30/51/68/1068305168.db2.gz SARZNJZVWLAGGJ-QRVBRYPASA-N 1 2 494.706 3.101 20 0 JGADLO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)S1 ZINC001305213117 1068344468 /nfs/dbraw/zinc/34/44/68/1068344468.db2.gz ZDFOYAMNGIDYLU-HOTGVXAUSA-N 1 2 471.656 3.109 20 0 JGADLO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC001305213987 1068346799 /nfs/dbraw/zinc/34/67/99/1068346799.db2.gz WFHYSIMCNATTRO-BRWVUGGUSA-N 1 2 484.428 3.498 20 0 JGADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001303780177 1068358029 /nfs/dbraw/zinc/35/80/29/1068358029.db2.gz AOJYSJLTTQQPBF-UTKZUKDTSA-N 1 2 465.639 3.322 20 0 JGADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001303791201 1068374362 /nfs/dbraw/zinc/37/43/62/1068374362.db2.gz VTDUBZWWAYUOEE-LJQANCHMSA-N 1 2 451.567 3.142 20 0 JGADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001305233782 1068381196 /nfs/dbraw/zinc/38/11/96/1068381196.db2.gz FIXATEVKVUTBLA-JKSUJKDBSA-N 1 2 484.464 3.353 20 0 JGADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001305233782 1068381212 /nfs/dbraw/zinc/38/12/12/1068381212.db2.gz FIXATEVKVUTBLA-JKSUJKDBSA-N 1 2 484.464 3.353 20 0 JGADLO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305233890 1068381382 /nfs/dbraw/zinc/38/13/82/1068381382.db2.gz HEEWIEZFUMDGFI-SJORKVTESA-N 1 2 486.617 3.234 20 0 JGADLO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305233890 1068381397 /nfs/dbraw/zinc/38/13/97/1068381397.db2.gz HEEWIEZFUMDGFI-SJORKVTESA-N 1 2 486.617 3.234 20 0 JGADLO C[C@H](c1ccco1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001303802978 1068400566 /nfs/dbraw/zinc/40/05/66/1068400566.db2.gz GXRWICHGXSSSRD-JKSUJKDBSA-N 1 2 487.561 3.052 20 0 JGADLO CCC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1 ZINC001305265324 1068445505 /nfs/dbraw/zinc/44/55/05/1068445505.db2.gz MAZIPMJDCIFOOW-PKTZIBPZSA-N 1 2 482.673 3.453 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001303828958 1068451129 /nfs/dbraw/zinc/45/11/29/1068451129.db2.gz PXDXLYZUTDAIFD-WIYYLYMNSA-N 1 2 485.658 3.054 20 0 JGADLO CC(C)[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001303847940 1068482486 /nfs/dbraw/zinc/48/24/86/1068482486.db2.gz WCVCGNORVMQTJO-HKUYNNGSSA-N 1 2 489.621 3.134 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCCCCC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001303853654 1068493604 /nfs/dbraw/zinc/49/36/04/1068493604.db2.gz RMGZXYGKOMFEOA-QGZVFWFLSA-N 1 2 475.594 3.032 20 0 JGADLO C[C@@H](O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC001303886776 1068523663 /nfs/dbraw/zinc/52/36/63/1068523663.db2.gz BOZSVJIMTMHMEX-LEWJYISDSA-N 1 2 482.673 3.101 20 0 JGADLO CC[C@@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305313032 1068525088 /nfs/dbraw/zinc/52/50/88/1068525088.db2.gz ORHZWJFPUWDZNI-HSZRJFAPSA-N 1 2 456.978 3.393 20 0 JGADLO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305322001 1068540646 /nfs/dbraw/zinc/54/06/46/1068540646.db2.gz JMEHTNDRTYJHOI-UQBPGWFLSA-N 1 2 450.587 3.472 20 0 JGADLO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305324691 1068545077 /nfs/dbraw/zinc/54/50/77/1068545077.db2.gz SNSIPWFPCMUORO-AFMDSPMNSA-N 1 2 480.613 3.481 20 0 JGADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1=CCCOC1 ZINC001303907768 1068554756 /nfs/dbraw/zinc/55/47/56/1068554756.db2.gz YVWMSSGVCZIDGE-GOSISDBHSA-N 1 2 461.994 3.187 20 0 JGADLO CC[C@@H](C)[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001305335843 1068567147 /nfs/dbraw/zinc/56/71/47/1068567147.db2.gz MSEOTYIDRKTBCU-WAIKUNEKSA-N 1 2 473.647 3.050 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCn2cccn2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303921023 1068571613 /nfs/dbraw/zinc/57/16/13/1068571613.db2.gz BPYNNUQAFMOBOQ-LJQANCHMSA-N 1 2 471.581 3.001 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CCn2cccn2)n1CC[N@H+]1CCOCC1(C)C ZINC001303921023 1068571620 /nfs/dbraw/zinc/57/16/20/1068571620.db2.gz BPYNNUQAFMOBOQ-LJQANCHMSA-N 1 2 471.581 3.001 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)CC2CCOCC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001303921060 1068572219 /nfs/dbraw/zinc/57/22/19/1068572219.db2.gz COPIJLXMADHIPS-RBUKOAKNSA-N 1 2 461.582 3.141 20 0 JGADLO CC[C@H](C)[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001305344064 1068581826 /nfs/dbraw/zinc/58/18/26/1068581826.db2.gz CEACDDLNZGLNQD-FJIJXJHWSA-N 1 2 482.673 3.448 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCCNc1cccc[nH+]1 ZINC001303926713 1068585355 /nfs/dbraw/zinc/58/53/55/1068585355.db2.gz OZCIZLDEWFXANL-ROUUACIJSA-N 1 2 467.549 3.156 20 0 JGADLO CC[C@H](C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1)OC ZINC001305356942 1068606007 /nfs/dbraw/zinc/60/60/07/1068606007.db2.gz WAMQJBDWIRHQML-YCRNBWNJSA-N 1 2 475.609 3.313 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305381121 1068632446 /nfs/dbraw/zinc/63/24/46/1068632446.db2.gz NKZRJSAGRMUTPI-CVEARBPZSA-N 1 2 481.544 3.479 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305381121 1068632454 /nfs/dbraw/zinc/63/24/54/1068632454.db2.gz NKZRJSAGRMUTPI-CVEARBPZSA-N 1 2 481.544 3.479 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2ccc(C(=O)NC)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305382534 1068633095 /nfs/dbraw/zinc/63/30/95/1068633095.db2.gz VRQPJRLFFRWWBD-VQTJNVASSA-N 1 2 491.640 3.456 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2cnn(CC)c2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305390324 1068635599 /nfs/dbraw/zinc/63/55/99/1068635599.db2.gz UUJRKPCGUQZDAI-HKUYNNGSSA-N 1 2 452.611 3.145 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2cnn(CC)c2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305390324 1068635602 /nfs/dbraw/zinc/63/56/02/1068635602.db2.gz UUJRKPCGUQZDAI-HKUYNNGSSA-N 1 2 452.611 3.145 20 0 JGADLO CC[C@@H](C)c1nnc(N(CCO)Cc2ccc(F)c(Br)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305408406 1068647459 /nfs/dbraw/zinc/64/74/59/1068647459.db2.gz WNIIDMVAYOADSP-SJORKVTESA-N 1 2 498.441 3.413 20 0 JGADLO CC[C@H](C)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001305409907 1068648785 /nfs/dbraw/zinc/64/87/85/1068648785.db2.gz JELQXCTZUMEAAH-SFHVURJKSA-N 1 2 460.648 3.239 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001305426390 1068663573 /nfs/dbraw/zinc/66/35/73/1068663573.db2.gz OWDFWULBCLDQLZ-WOJBJXKFSA-N 1 2 460.667 3.034 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305435221 1068671234 /nfs/dbraw/zinc/67/12/34/1068671234.db2.gz XJQOTRLMPDEUCJ-YRPNKDGESA-N 1 2 464.655 3.252 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305435221 1068671243 /nfs/dbraw/zinc/67/12/43/1068671243.db2.gz XJQOTRLMPDEUCJ-YRPNKDGESA-N 1 2 464.655 3.252 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001305447642 1068681651 /nfs/dbraw/zinc/68/16/51/1068681651.db2.gz BGMISQBZOLKSQY-HYBUGGRVSA-N 1 2 468.646 3.218 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001305461468 1068704422 /nfs/dbraw/zinc/70/44/22/1068704422.db2.gz XUFNHYIZDVJSHU-RIFZZMRRSA-N 1 2 475.588 3.413 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001305464787 1068708694 /nfs/dbraw/zinc/70/86/94/1068708694.db2.gz CRMKNAKMADCENJ-GOSISDBHSA-N 1 2 482.654 3.408 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001305489350 1068727435 /nfs/dbraw/zinc/72/74/35/1068727435.db2.gz MZQFNBXKJUUGIB-DBVUQKKJSA-N 1 2 451.612 3.247 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305502986 1068738015 /nfs/dbraw/zinc/73/80/15/1068738015.db2.gz WPZCYLKQWRDRDW-SFTDATJTSA-N 1 2 483.661 3.155 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001305508080 1068745838 /nfs/dbraw/zinc/74/58/38/1068745838.db2.gz DUQKFTYGDSOIFD-CTNGQTDRSA-N 1 2 477.650 3.468 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001305508080 1068745842 /nfs/dbraw/zinc/74/58/42/1068745842.db2.gz DUQKFTYGDSOIFD-CTNGQTDRSA-N 1 2 477.650 3.468 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001305519067 1068769175 /nfs/dbraw/zinc/76/91/75/1068769175.db2.gz PDVBXOZYHLKJNQ-ROUUACIJSA-N 1 2 493.578 3.387 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCOCc1ccc(OC)cc1 ZINC001305534750 1068794660 /nfs/dbraw/zinc/79/46/60/1068794660.db2.gz SLCCFKAYHUBNNJ-IBGZPJMESA-N 1 2 465.602 3.442 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(C)s1 ZINC001305543163 1068817011 /nfs/dbraw/zinc/81/70/11/1068817011.db2.gz HRAQEWGCGOTAGL-PZJWPPBQSA-N 1 2 460.692 3.441 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1c(C)coc1C ZINC001305545763 1068824616 /nfs/dbraw/zinc/82/46/16/1068824616.db2.gz YOQRGHRXWCYIRL-DENIHFKCSA-N 1 2 458.651 3.281 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1c(C)coc1C ZINC001305545764 1068824715 /nfs/dbraw/zinc/82/47/15/1068824715.db2.gz YOQRGHRXWCYIRL-KNQAVFIVSA-N 1 2 458.651 3.281 20 0 JGADLO CC[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001305556400 1068834709 /nfs/dbraw/zinc/83/47/09/1068834709.db2.gz ZBEGPNJMEWANDR-SXLOBPIMSA-N 1 2 467.536 3.460 20 0 JGADLO CC[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001305556400 1068834726 /nfs/dbraw/zinc/83/47/26/1068834726.db2.gz ZBEGPNJMEWANDR-SXLOBPIMSA-N 1 2 467.536 3.460 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001305571893 1068845594 /nfs/dbraw/zinc/84/55/94/1068845594.db2.gz ZXKZISOCKMOGHU-QGWWYQLQSA-N 1 2 462.545 3.307 20 0 JGADLO CC[C@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305592733 1068860149 /nfs/dbraw/zinc/86/01/49/1068860149.db2.gz IZUWDICBUKWORL-VQTJNVASSA-N 1 2 469.634 3.055 20 0 JGADLO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001305633147 1068941276 /nfs/dbraw/zinc/94/12/76/1068941276.db2.gz OETNLRDKNBVNHU-SFHVURJKSA-N 1 2 477.613 3.282 20 0 JGADLO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001305647533 1068979161 /nfs/dbraw/zinc/97/91/61/1068979161.db2.gz WUPVECHLQRDYNZ-GOSISDBHSA-N 1 2 498.031 3.087 20 0 JGADLO CC[C@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001305659352 1068999610 /nfs/dbraw/zinc/99/96/10/1068999610.db2.gz QONCQFWPIYMCQK-UNMCSNQZSA-N 1 2 494.606 3.473 20 0 JGADLO CC[C@H](c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@](C)(O)CCOC)c1ccccc1 ZINC001305676420 1069030658 /nfs/dbraw/zinc/03/06/58/1069030658.db2.gz SJYQCBWDYBUDGA-BKMJKUGQSA-N 1 2 479.629 3.033 20 0 JGADLO CC[C@@H](c1nnc(N2CCO[C@H](COC(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC001305684829 1069045505 /nfs/dbraw/zinc/04/55/05/1069045505.db2.gz VNZWFQZXQAQAHH-YFNKSVMNSA-N 1 2 471.646 3.171 20 0 JGADLO CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001305690688 1069057115 /nfs/dbraw/zinc/05/71/15/1069057115.db2.gz LJGROOGLRRKKRN-UHFFFAOYSA-N 1 2 481.649 3.432 20 0 JGADLO CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)SC ZINC001305701144 1069081315 /nfs/dbraw/zinc/08/13/15/1069081315.db2.gz XYORLDLUXJFXDU-UHFFFAOYSA-N 1 2 483.690 3.487 20 0 JGADLO CCC(CC)[C@H](CCn1c(-c2cnccn2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001305704298 1069090463 /nfs/dbraw/zinc/09/04/63/1069090463.db2.gz UQGJVGLNAIVWSD-NRFANRHFSA-N 1 2 465.606 3.001 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2c(C)noc2C)n1CCc1cn2ccccc2[nH+]1 ZINC001305726170 1069143528 /nfs/dbraw/zinc/14/35/28/1069143528.db2.gz YQCNAYVIOJYFOF-UHFFFAOYSA-N 1 2 464.574 3.328 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCO3)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305726867 1069144687 /nfs/dbraw/zinc/14/46/87/1069144687.db2.gz SLMFYZCVQKJXKW-UHFFFAOYSA-N 1 2 479.585 3.071 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cccc(O)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305727449 1069146010 /nfs/dbraw/zinc/14/60/10/1069146010.db2.gz ZMFYWFIPZAQBSX-SFHVURJKSA-N 1 2 472.634 3.210 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)c2cccc(O)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001305727449 1069146013 /nfs/dbraw/zinc/14/60/13/1069146013.db2.gz ZMFYWFIPZAQBSX-SFHVURJKSA-N 1 2 472.634 3.210 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)CC2CCOCC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001305728361 1069148382 /nfs/dbraw/zinc/14/83/82/1069148382.db2.gz MOXWJWPDQLCEAC-UHFFFAOYSA-N 1 2 483.661 3.493 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001305731938 1069151956 /nfs/dbraw/zinc/15/19/56/1069151956.db2.gz RQPLSOCBRQGFLY-UHFFFAOYSA-N 1 2 496.578 3.340 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001305739548 1069167599 /nfs/dbraw/zinc/16/75/99/1069167599.db2.gz ONDGYVZPISGGCH-BQFCYCMXSA-N 1 2 497.566 3.435 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCC(C)(C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305767889 1069240261 /nfs/dbraw/zinc/24/02/61/1069240261.db2.gz STDGJTNEVXHKGL-UHFFFAOYSA-N 1 2 469.634 3.103 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001305772573 1069251812 /nfs/dbraw/zinc/25/18/12/1069251812.db2.gz QNONXKCVRAHIFC-OAQYLSRUSA-N 1 2 469.634 3.245 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305774984 1069256769 /nfs/dbraw/zinc/25/67/69/1069256769.db2.gz ZYIJROQFUWYYSG-FQEVSTJZSA-N 1 2 478.682 3.091 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305774984 1069256780 /nfs/dbraw/zinc/25/67/80/1069256780.db2.gz ZYIJROQFUWYYSG-FQEVSTJZSA-N 1 2 478.682 3.091 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCO[C@@H](C)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001305777301 1069262731 /nfs/dbraw/zinc/26/27/31/1069262731.db2.gz FJZBAYXKEQABDF-IBGZPJMESA-N 1 2 469.634 3.245 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305777467 1069263217 /nfs/dbraw/zinc/26/32/17/1069263217.db2.gz ISQLCPUJIYGHEI-IRLDBZIGSA-N 1 2 483.661 3.491 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@@H]1CCCCO1 ZINC001305788577 1069297493 /nfs/dbraw/zinc/29/74/93/1069297493.db2.gz WYUUUDFQNGIEFX-QFIPXVFZSA-N 1 2 472.609 3.227 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@H]1CCCCO1 ZINC001305788575 1069297520 /nfs/dbraw/zinc/29/75/20/1069297520.db2.gz WYUUUDFQNGIEFX-JOCHJYFZSA-N 1 2 472.609 3.227 20 0 JGADLO O=C(c1cccnc1N1C[C@@H]2c3ccccc3C(=O)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164406351 718847706 /nfs/dbraw/zinc/84/77/06/718847706.db2.gz NNIRJGBXWYGBPD-JWQCQUIFSA-N 1 2 452.558 3.456 20 0 JGADLO O=C(c1cccnc1N1C[C@@H]2C(=O)Nc3ccccc3[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164401736 718857667 /nfs/dbraw/zinc/85/76/67/718857667.db2.gz HTBNZNSSEKIRBL-ZEQRLZLVSA-N 1 2 467.573 3.212 20 0 JGADLO CN1CCc2nc(Cl)nc(N3CCO[C@H](c4[nH+]cn5c4cccc5Br)C3)c2C1 ZINC001164419094 718891191 /nfs/dbraw/zinc/89/11/91/718891191.db2.gz PSAPZODTJZHTRY-HNNXBMFYSA-N 1 2 463.767 3.106 20 0 JGADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)nn1 ZINC001164658525 719352664 /nfs/dbraw/zinc/35/26/64/719352664.db2.gz IEOYLISOGMBWTC-UHFFFAOYSA-N 1 2 460.582 3.277 20 0 JGADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)nn1 ZINC001164658525 719352668 /nfs/dbraw/zinc/35/26/68/719352668.db2.gz IEOYLISOGMBWTC-UHFFFAOYSA-N 1 2 460.582 3.277 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)N(C)OC)CC2 ZINC001164660760 719352718 /nfs/dbraw/zinc/35/27/18/719352718.db2.gz YUWSMTQCYIINFR-UHFFFAOYSA-N 1 2 460.582 3.410 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)N(C)OC)CC2 ZINC001164660760 719352720 /nfs/dbraw/zinc/35/27/20/719352720.db2.gz YUWSMTQCYIINFR-UHFFFAOYSA-N 1 2 460.582 3.410 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164658518 719354129 /nfs/dbraw/zinc/35/41/29/719354129.db2.gz HZPZQHGBIFGTPO-UHFFFAOYSA-N 1 2 492.649 3.217 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164658518 719354133 /nfs/dbraw/zinc/35/41/33/719354133.db2.gz HZPZQHGBIFGTPO-UHFFFAOYSA-N 1 2 492.649 3.217 20 0 JGADLO COC(=O)c1ccc2nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)ncc2c1 ZINC001164674389 719498323 /nfs/dbraw/zinc/49/83/23/719498323.db2.gz VWFFQTAJMSNKPG-UHFFFAOYSA-N 1 2 450.514 3.427 20 0 JGADLO COC(=O)c1ccc2nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)ncc2c1 ZINC001164674389 719498334 /nfs/dbraw/zinc/49/83/34/719498334.db2.gz VWFFQTAJMSNKPG-UHFFFAOYSA-N 1 2 450.514 3.427 20 0 JGADLO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)cc2C1 ZINC001164671731 719524246 /nfs/dbraw/zinc/52/42/46/719524246.db2.gz JCJHVMUAVUOSPB-UHFFFAOYSA-N 1 2 469.561 3.002 20 0 JGADLO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)cc2C1 ZINC001164671731 719524262 /nfs/dbraw/zinc/52/42/62/719524262.db2.gz JCJHVMUAVUOSPB-UHFFFAOYSA-N 1 2 469.561 3.002 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2ncnc(Cl)c2c1 ZINC001164706632 719850103 /nfs/dbraw/zinc/85/01/03/719850103.db2.gz YAGPZHXVOZVNBE-QRWLVFNGSA-N 1 2 454.905 3.061 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Oc2ccc(SC)cc2)ncn1 ZINC001164699261 719863812 /nfs/dbraw/zinc/86/38/12/719863812.db2.gz BJRCEHPUPLITKH-HXOBKFHXSA-N 1 2 458.584 3.224 20 0 JGADLO COC(=O)c1ccc(-c2ccc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nc2C)cc1 ZINC001164699921 719866056 /nfs/dbraw/zinc/86/60/56/719866056.db2.gz CWONFYPSHULMMI-LVXARBLLSA-N 1 2 467.566 3.076 20 0 JGADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164703768 719867568 /nfs/dbraw/zinc/86/75/68/719867568.db2.gz KKQODBCSIYURBO-VOIUYBSRSA-N 1 2 475.973 3.298 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(C)cc1 ZINC001164704242 719878288 /nfs/dbraw/zinc/87/82/88/719878288.db2.gz UPHJLIYILPDONV-UZUQRXQVSA-N 1 2 460.962 3.463 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(C)cc1 ZINC001164704241 719878376 /nfs/dbraw/zinc/87/83/76/719878376.db2.gz UPHJLIYILPDONV-SBUREZEXSA-N 1 2 460.962 3.463 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164708382 719903650 /nfs/dbraw/zinc/90/36/50/719903650.db2.gz BSHLEUGKKUGSJC-UHFFFAOYSA-N 1 2 459.381 3.225 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CC2 ZINC001164709996 720049036 /nfs/dbraw/zinc/04/90/36/720049036.db2.gz CSPSVGSTDLCQNH-UHFFFAOYSA-N 1 2 490.942 3.224 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)C2)C1 ZINC001164719807 720257576 /nfs/dbraw/zinc/25/75/76/720257576.db2.gz PCAXBDWGQPFTBA-FQEVSTJZSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)C2)C1 ZINC001164719807 720257583 /nfs/dbraw/zinc/25/75/83/720257583.db2.gz PCAXBDWGQPFTBA-FQEVSTJZSA-N 1 2 488.366 3.146 20 0 JGADLO O=C(c1cccnc1N1CCC[C@@]2(CCN(CC3CC3)C2=O)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164816997 720279899 /nfs/dbraw/zinc/27/98/99/720279899.db2.gz AVUSBWJCOYARKF-GDLZYMKVSA-N 1 2 487.648 3.269 20 0 JGADLO COC(=O)c1ccc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)nc1Cl ZINC001164721884 720312659 /nfs/dbraw/zinc/31/26/59/720312659.db2.gz IFSCEGIGUFCELC-HNNXBMFYSA-N 1 2 455.893 3.084 20 0 JGADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)c1 ZINC001164721870 720314899 /nfs/dbraw/zinc/31/48/99/720314899.db2.gz IEXGGXJRPDQYGT-INIZCTEOSA-N 1 2 455.893 3.084 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5[nH]cc(Cl)c54)CC3)C2=O)cs1 ZINC001164823974 720358063 /nfs/dbraw/zinc/35/80/63/720358063.db2.gz FABGELFEVVRUKN-UHFFFAOYSA-N 1 2 480.425 3.343 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5[nH]cc(Cl)c54)CC3)C2=O)cs1 ZINC001164823974 720358068 /nfs/dbraw/zinc/35/80/68/720358068.db2.gz FABGELFEVVRUKN-UHFFFAOYSA-N 1 2 480.425 3.343 20 0 JGADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc2ccccc21 ZINC001164824784 720367886 /nfs/dbraw/zinc/36/78/86/720367886.db2.gz LAINEVHCOLEIAI-UHFFFAOYSA-N 1 2 493.633 3.490 20 0 JGADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc2ccccc21 ZINC001164824784 720367896 /nfs/dbraw/zinc/36/78/96/720367896.db2.gz LAINEVHCOLEIAI-UHFFFAOYSA-N 1 2 493.633 3.490 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(OCc5ccccc5)n4)CC3)C2=O)cs1 ZINC001164819709 720369571 /nfs/dbraw/zinc/36/95/71/720369571.db2.gz GRZDPXITUFQGBE-UHFFFAOYSA-N 1 2 478.622 3.134 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(OCc5ccccc5)n4)CC3)C2=O)cs1 ZINC001164819709 720369578 /nfs/dbraw/zinc/36/95/78/720369578.db2.gz GRZDPXITUFQGBE-UHFFFAOYSA-N 1 2 478.622 3.134 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C(=O)Nc5ccccc5)ccn4)CC3)C2=O)cs1 ZINC001164819325 720371050 /nfs/dbraw/zinc/37/10/50/720371050.db2.gz CNGLZQRSKXZUOA-UHFFFAOYSA-N 1 2 490.633 3.412 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C(=O)Nc5ccccc5)ccn4)CC3)C2=O)cs1 ZINC001164819325 720371059 /nfs/dbraw/zinc/37/10/59/720371059.db2.gz CNGLZQRSKXZUOA-UHFFFAOYSA-N 1 2 490.633 3.412 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5c(n4)-c4ccccc4CC5)CC3)C2=O)cs1 ZINC001164820765 720376347 /nfs/dbraw/zinc/37/63/47/720376347.db2.gz UHHSXMJRFYJYEW-UHFFFAOYSA-N 1 2 474.634 3.320 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5c(n4)-c4ccccc4CC5)CC3)C2=O)cs1 ZINC001164820765 720376355 /nfs/dbraw/zinc/37/63/55/720376355.db2.gz UHHSXMJRFYJYEW-UHFFFAOYSA-N 1 2 474.634 3.320 20 0 JGADLO COc1cccc(Oc2cncc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)n2)c1 ZINC001164820277 720376947 /nfs/dbraw/zinc/37/69/47/720376947.db2.gz NCTJUGRTQDMCLC-UHFFFAOYSA-N 1 2 494.621 3.356 20 0 JGADLO COc1cccc(Oc2cncc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)n2)c1 ZINC001164820277 720376951 /nfs/dbraw/zinc/37/69/51/720376951.db2.gz NCTJUGRTQDMCLC-UHFFFAOYSA-N 1 2 494.621 3.356 20 0 JGADLO COc1ccccc1-c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncn1 ZINC001164821035 720381262 /nfs/dbraw/zinc/38/12/62/720381262.db2.gz WDLUWIVIUKALAV-UHFFFAOYSA-N 1 2 478.622 3.230 20 0 JGADLO COc1ccccc1-c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncn1 ZINC001164821035 720381269 /nfs/dbraw/zinc/38/12/69/720381269.db2.gz WDLUWIVIUKALAV-UHFFFAOYSA-N 1 2 478.622 3.230 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccnc4Oc4ccccc4)CC3)C2=O)cs1 ZINC001164821457 720382356 /nfs/dbraw/zinc/38/23/56/720382356.db2.gz GPTPYLXXSJVFTQ-UHFFFAOYSA-N 1 2 464.595 3.347 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccnc4Oc4ccccc4)CC3)C2=O)cs1 ZINC001164821457 720382364 /nfs/dbraw/zinc/38/23/64/720382364.db2.gz GPTPYLXXSJVFTQ-UHFFFAOYSA-N 1 2 464.595 3.347 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164823017 720433900 /nfs/dbraw/zinc/43/39/00/720433900.db2.gz GSWYLEOXLPROJR-INIZCTEOSA-N 1 2 492.958 3.014 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc3c(Cl)ncnc3c1)C2 ZINC001164825555 720438638 /nfs/dbraw/zinc/43/86/38/720438638.db2.gz SDCAFTYGGSDZKD-INIZCTEOSA-N 1 2 492.958 3.014 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cc(C(C)(C)C)sc31)C2 ZINC001164824612 720440313 /nfs/dbraw/zinc/44/03/13/720440313.db2.gz ODJNGOGWIWNZDY-KRWDZBQOSA-N 1 2 470.643 3.175 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3ccc(Cl)cc3nc1Cl)C2 ZINC001164821973 720443439 /nfs/dbraw/zinc/44/34/39/720443439.db2.gz BNSLEHWGFJWZRY-HNNXBMFYSA-N 1 2 477.396 3.123 20 0 JGADLO Cc1ccc2nc(Cl)cc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164824139 720444505 /nfs/dbraw/zinc/44/45/05/720444505.db2.gz MQCSBCDZEFMLLS-GOSISDBHSA-N 1 2 455.990 3.383 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1c(Cl)ncc(Cl)c1Cl)C2 ZINC001164830835 720454632 /nfs/dbraw/zinc/45/46/32/720454632.db2.gz MRGXMFBZOLRBBH-ZDUSSCGKSA-N 1 2 460.793 3.228 20 0 JGADLO Cc1ccc2cc(Cl)nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164829537 720461616 /nfs/dbraw/zinc/46/16/16/720461616.db2.gz FXBUWQMZDUXECY-IBGZPJMESA-N 1 2 455.990 3.383 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cc3ccccc3)c3ccccc31)C2 ZINC001164830670 720469322 /nfs/dbraw/zinc/46/93/22/720469322.db2.gz KTSRZPVXXULHBY-HSZRJFAPSA-N 1 2 498.631 3.407 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(C(F)F)nc3ccc(Cl)cc31)C2 ZINC001164835437 720479058 /nfs/dbraw/zinc/47/90/58/720479058.db2.gz XYPZOUPBOVHHME-OAHLLOKOSA-N 1 2 492.958 3.407 20 0 JGADLO Cc1ccc(Oc2nc(Cl)ncc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)cc1 ZINC001164831450 720480437 /nfs/dbraw/zinc/48/04/37/720480437.db2.gz FVXONSSXUDTISS-LJQANCHMSA-N 1 2 499.015 3.417 20 0 JGADLO Cc1ccccc1Oc1nc(Cl)ncc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831866 720481717 /nfs/dbraw/zinc/48/17/17/720481717.db2.gz HONVWJPLPKGYJQ-LJQANCHMSA-N 1 2 499.015 3.417 20 0 JGADLO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@@H]21)N1CCCCC1 ZINC001164834481 720497848 /nfs/dbraw/zinc/49/78/48/720497848.db2.gz SNOUZQDSRRTJJB-FXSPECFOSA-N 1 2 475.637 3.279 20 0 JGADLO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@@H]21)N1CCCCC1 ZINC001164834481 720497866 /nfs/dbraw/zinc/49/78/66/720497866.db2.gz SNOUZQDSRRTJJB-FXSPECFOSA-N 1 2 475.637 3.279 20 0 JGADLO O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164726325 720499425 /nfs/dbraw/zinc/49/94/25/720499425.db2.gz LGTYJEAYJDMRLX-SHQCIBLASA-N 1 2 470.577 3.054 20 0 JGADLO O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164726325 720499435 /nfs/dbraw/zinc/49/94/35/720499435.db2.gz LGTYJEAYJDMRLX-SHQCIBLASA-N 1 2 470.577 3.054 20 0 JGADLO COC[C@]12CCCO[C@H]1CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164851611 720827092 /nfs/dbraw/zinc/82/70/92/720827092.db2.gz XNRCLWLURBKWFH-RPLLCQBOSA-N 1 2 464.610 3.062 20 0 JGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164858694 720896771 /nfs/dbraw/zinc/89/67/71/720896771.db2.gz NNPYQRQUEXYWQG-HSZRJFAPSA-N 1 2 481.919 3.136 20 0 JGADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164759305 720973132 /nfs/dbraw/zinc/97/31/32/720973132.db2.gz ZXBZOQWAAFFBAD-AWEZNQCLSA-N 1 2 455.893 3.111 20 0 JGADLO CN1C[C@H](COCC2CC2)[C@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@H]2C1=O ZINC001164858037 721025616 /nfs/dbraw/zinc/02/56/16/721025616.db2.gz FJCKPATVYIESHH-UBFVSLLYSA-N 1 2 489.664 3.382 20 0 JGADLO CN1C[C@H](COCC2CC2)[C@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@H]2C1=O ZINC001164858037 721025621 /nfs/dbraw/zinc/02/56/21/721025621.db2.gz FJCKPATVYIESHH-UBFVSLLYSA-N 1 2 489.664 3.382 20 0 JGADLO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)n1 ZINC001164768312 721050409 /nfs/dbraw/zinc/05/04/09/721050409.db2.gz IHFGGTVAZFIPBF-DQEYMECFSA-N 1 2 454.578 3.118 20 0 JGADLO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)n1 ZINC001164768312 721050413 /nfs/dbraw/zinc/05/04/13/721050413.db2.gz IHFGGTVAZFIPBF-DQEYMECFSA-N 1 2 454.578 3.118 20 0 JGADLO COC(=O)c1cc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cnc1Cl ZINC001164870543 721218512 /nfs/dbraw/zinc/21/85/12/721218512.db2.gz GOOYFULFVURHGX-UHFFFAOYSA-N 1 2 452.889 3.337 20 0 JGADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164769258 721272363 /nfs/dbraw/zinc/27/23/63/721272363.db2.gz XFICTYJQORJSPA-AWEZNQCLSA-N 1 2 478.887 3.159 20 0 JGADLO O=C(c1cccnc1N1CC[C@@H]2[C@H]1CC(=O)N2c1ccsc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164885865 721356925 /nfs/dbraw/zinc/35/69/25/721356925.db2.gz ZYSWAWZQDKXWLO-DNQXCXABSA-N 1 2 487.629 3.485 20 0 JGADLO O=C(c1cccnc1N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164885862 721356995 /nfs/dbraw/zinc/35/69/95/721356995.db2.gz ZYSWAWZQDKXWLO-BJKOFHAPSA-N 1 2 487.629 3.485 20 0 JGADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)Nc2cccc(F)c2)[C@@H]2CCCO[C@H]12 ZINC001164800036 721584127 /nfs/dbraw/zinc/58/41/27/721584127.db2.gz BHYJAJXYSIRKNK-AKFKNWHVSA-N 1 2 497.596 3.285 20 0 JGADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)Nc2cccc(F)c2)[C@@H]2CCCO[C@H]12 ZINC001164800036 721584130 /nfs/dbraw/zinc/58/41/30/721584130.db2.gz BHYJAJXYSIRKNK-AKFKNWHVSA-N 1 2 497.596 3.285 20 0 JGADLO FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913642 721769921 /nfs/dbraw/zinc/76/99/21/721769921.db2.gz ZDLWZYXYTCQRFR-IBGZPJMESA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913642 721769922 /nfs/dbraw/zinc/76/99/22/721769922.db2.gz ZDLWZYXYTCQRFR-IBGZPJMESA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910276 721773813 /nfs/dbraw/zinc/77/38/13/721773813.db2.gz BCMNXAGWTMYQMR-QFIPXVFZSA-N 1 2 475.927 3.331 20 0 JGADLO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910276 721773818 /nfs/dbraw/zinc/77/38/18/721773818.db2.gz BCMNXAGWTMYQMR-QFIPXVFZSA-N 1 2 475.927 3.331 20 0 JGADLO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912060 721779527 /nfs/dbraw/zinc/77/95/27/721779527.db2.gz JWFCDMTYHLZHOI-QFIPXVFZSA-N 1 2 475.927 3.331 20 0 JGADLO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912060 721779532 /nfs/dbraw/zinc/77/95/32/721779532.db2.gz JWFCDMTYHLZHOI-QFIPXVFZSA-N 1 2 475.927 3.331 20 0 JGADLO c1[nH]c2ccccc2c1-c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915967 721781581 /nfs/dbraw/zinc/78/15/81/721781581.db2.gz MQXZLODFFSOJGI-AREMUKBSSA-N 1 2 456.550 3.128 20 0 JGADLO c1[nH]c2ccccc2c1-c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915967 721781586 /nfs/dbraw/zinc/78/15/86/721781586.db2.gz MQXZLODFFSOJGI-AREMUKBSSA-N 1 2 456.550 3.128 20 0 JGADLO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914124 721791668 /nfs/dbraw/zinc/79/16/68/721791668.db2.gz BYKMXLAECKAZOF-OAQYLSRUSA-N 1 2 463.916 3.264 20 0 JGADLO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914124 721791670 /nfs/dbraw/zinc/79/16/70/721791670.db2.gz BYKMXLAECKAZOF-OAQYLSRUSA-N 1 2 463.916 3.264 20 0 JGADLO Clc1cccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914675 721794757 /nfs/dbraw/zinc/79/47/57/721794757.db2.gz PPGZBWCSKPGWCW-XMMPIXPASA-N 1 2 451.958 3.300 20 0 JGADLO Clc1cccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914675 721794761 /nfs/dbraw/zinc/79/47/61/721794761.db2.gz PPGZBWCSKPGWCW-XMMPIXPASA-N 1 2 451.958 3.300 20 0 JGADLO Clc1cccc(-c2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)c1 ZINC001164913510 721795793 /nfs/dbraw/zinc/79/57/93/721795793.db2.gz DXGSAGDSDKYTDF-XMMPIXPASA-N 1 2 451.958 3.300 20 0 JGADLO Clc1cccc(-c2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)c1 ZINC001164913510 721795796 /nfs/dbraw/zinc/79/57/96/721795796.db2.gz DXGSAGDSDKYTDF-XMMPIXPASA-N 1 2 451.958 3.300 20 0 JGADLO Fc1ccc(COc2cccnc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1 ZINC001164914651 721796806 /nfs/dbraw/zinc/79/68/06/721796806.db2.gz OVOAGPFVABZSOS-SANMLTNESA-N 1 2 464.541 3.303 20 0 JGADLO Fc1ccc(COc2cccnc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001164914651 721796808 /nfs/dbraw/zinc/79/68/08/721796808.db2.gz OVOAGPFVABZSOS-SANMLTNESA-N 1 2 464.541 3.303 20 0 JGADLO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914247 721796897 /nfs/dbraw/zinc/79/68/97/721796897.db2.gz KZCZQIHJYMMCJE-DQEYMECFSA-N 1 2 499.974 3.427 20 0 JGADLO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914247 721796900 /nfs/dbraw/zinc/79/69/00/721796900.db2.gz KZCZQIHJYMMCJE-DQEYMECFSA-N 1 2 499.974 3.427 20 0 JGADLO Clc1ncc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Oc2ccccc2)n1 ZINC001164914030 721800364 /nfs/dbraw/zinc/80/03/64/721800364.db2.gz KGIUOGRXQGCMQV-DEOSSOPVSA-N 1 2 467.957 3.425 20 0 JGADLO Clc1ncc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Oc2ccccc2)n1 ZINC001164914030 721800366 /nfs/dbraw/zinc/80/03/66/721800366.db2.gz KGIUOGRXQGCMQV-DEOSSOPVSA-N 1 2 467.957 3.425 20 0 JGADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164916163 721814695 /nfs/dbraw/zinc/81/46/95/721814695.db2.gz AVGPXSFEKAJCSM-UHFFFAOYSA-N 1 2 452.584 3.328 20 0 JGADLO COc1ccc(Cn2cc3[nH]c(N4CCC5(CC4)c4ncc(C)n4CC[N@H+]5C)ccc-3c2=O)cc1 ZINC001164917167 721818574 /nfs/dbraw/zinc/81/85/74/721818574.db2.gz CPDAPLABTFOXDL-UHFFFAOYSA-N 1 2 472.593 3.192 20 0 JGADLO COc1ccc(Cn2cc3[nH]c(N4CCC5(CC4)c4ncc(C)n4CC[N@@H+]5C)ccc-3c2=O)cc1 ZINC001164917167 721818577 /nfs/dbraw/zinc/81/85/77/721818577.db2.gz CPDAPLABTFOXDL-UHFFFAOYSA-N 1 2 472.593 3.192 20 0 JGADLO COc1ccc(-c2ccc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nn2)c(OC)c1OC ZINC001164919429 721820672 /nfs/dbraw/zinc/82/06/72/721820672.db2.gz QJICPYSDYCUGBP-UHFFFAOYSA-N 1 2 464.570 3.115 20 0 JGADLO CCS(=O)(=O)c1cc(C(F)(F)N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)cnc1Cl ZINC001164918181 721822040 /nfs/dbraw/zinc/82/20/40/721822040.db2.gz CQCGZBDXTYSOPM-UHFFFAOYSA-N 1 2 473.977 3.020 20 0 JGADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[C@H]3CCC(=O)N4C)c2c1C ZINC001164936731 721893251 /nfs/dbraw/zinc/89/32/51/721893251.db2.gz ZWQYBIJRTRPRPA-DLBZAZTESA-N 1 2 471.627 3.362 20 0 JGADLO COc1cc2nc(Cl)c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2cc1OC ZINC001164946079 721974322 /nfs/dbraw/zinc/97/43/22/721974322.db2.gz JLMCOGMSHXOVQS-UHFFFAOYSA-N 1 2 481.984 3.271 20 0 JGADLO COc1cc2nc(Cl)c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2cc1OC ZINC001164946079 721974324 /nfs/dbraw/zinc/97/43/24/721974324.db2.gz JLMCOGMSHXOVQS-UHFFFAOYSA-N 1 2 481.984 3.271 20 0 JGADLO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947719 721976201 /nfs/dbraw/zinc/97/62/01/721976201.db2.gz RHOJUTXWOZDHFS-UHFFFAOYSA-N 1 2 458.562 3.383 20 0 JGADLO CCOC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947719 721976202 /nfs/dbraw/zinc/97/62/02/721976202.db2.gz RHOJUTXWOZDHFS-UHFFFAOYSA-N 1 2 458.562 3.383 20 0 JGADLO Cc1cc(OCc2ccccc2)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945636 721980664 /nfs/dbraw/zinc/98/06/64/721980664.db2.gz BZYFMBHHRJFQCV-UHFFFAOYSA-N 1 2 457.578 3.335 20 0 JGADLO Cc1cc(OCc2ccccc2)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945636 721980667 /nfs/dbraw/zinc/98/06/67/721980667.db2.gz BZYFMBHHRJFQCV-UHFFFAOYSA-N 1 2 457.578 3.335 20 0 JGADLO Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164962731 722028234 /nfs/dbraw/zinc/02/82/34/722028234.db2.gz RPXOPRCQRDOXOC-SMIHKQSGSA-N 1 2 461.541 3.384 20 0 JGADLO Fc1cccnc1O[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164962731 722028236 /nfs/dbraw/zinc/02/82/36/722028236.db2.gz RPXOPRCQRDOXOC-SMIHKQSGSA-N 1 2 461.541 3.384 20 0 JGADLO CC(C)CNC(=O)c1nc2c(s1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164966147 722066217 /nfs/dbraw/zinc/06/62/17/722066217.db2.gz WLBYBGXRHXREDC-UHFFFAOYSA-N 1 2 476.650 3.482 20 0 JGADLO CC(C)CNC(=O)c1nc2c(s1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164966147 722066218 /nfs/dbraw/zinc/06/62/18/722066218.db2.gz WLBYBGXRHXREDC-UHFFFAOYSA-N 1 2 476.650 3.482 20 0 JGADLO O=C1C[C@@]2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)CN1c1ccc2c(c1)OCO2 ZINC001164999319 722219341 /nfs/dbraw/zinc/21/93/41/722219341.db2.gz QPIJZJOFKSGVMD-MUUNZHRXSA-N 1 2 483.572 3.397 20 0 JGADLO O=C1C[C@@]2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)CN1c1ccc2c(c1)OCO2 ZINC001164999319 722219344 /nfs/dbraw/zinc/21/93/44/722219344.db2.gz QPIJZJOFKSGVMD-MUUNZHRXSA-N 1 2 483.572 3.397 20 0 JGADLO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)n1 ZINC001165002187 722237598 /nfs/dbraw/zinc/23/75/98/722237598.db2.gz QJDKGJPAJKDQCR-UHFFFAOYSA-N 1 2 494.713 3.297 20 0 JGADLO COCCN(CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1)C(=O)OC(C)(C)C ZINC001305810077 1069340271 /nfs/dbraw/zinc/34/02/71/1069340271.db2.gz ATBBSEIRLDAPFQ-UHFFFAOYSA-N 1 2 450.967 3.127 20 0 JGADLO Cc1cn(C(C)(C)C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC001305847763 1069397632 /nfs/dbraw/zinc/39/76/32/1069397632.db2.gz XNTXFBJMEPCRHZ-UHFFFAOYSA-N 1 2 451.568 3.158 20 0 JGADLO CCC(O)(CC)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001305852267 1069406452 /nfs/dbraw/zinc/40/64/52/1069406452.db2.gz LUTPDOHZROSAKN-IBGZPJMESA-N 1 2 475.609 3.193 20 0 JGADLO CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001305896466 1069453401 /nfs/dbraw/zinc/45/34/01/1069453401.db2.gz XHWVUGUXXWPKAL-SFHVURJKSA-N 1 2 460.648 3.007 20 0 JGADLO CCC1(CC)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001305896465 1069453431 /nfs/dbraw/zinc/45/34/31/1069453431.db2.gz XHWVUGUXXWPKAL-GOSISDBHSA-N 1 2 460.648 3.007 20 0 JGADLO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(-c2cnn(C)c2)n1CCCNc1cccc[nH+]1 ZINC001298221814 1064135706 /nfs/dbraw/zinc/13/57/06/1064135706.db2.gz LLXCFMOYZVKXAW-UHFFFAOYSA-N 1 2 479.976 3.304 20 0 JGADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(-c2cccn2C)n1CCC(C)(C)O ZINC001298240407 1064145363 /nfs/dbraw/zinc/14/53/63/1064145363.db2.gz MQNHGOWUYUFEAC-LJQANCHMSA-N 1 2 458.632 3.016 20 0 JGADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(Cc2ccsc2)n1CC(C)(C)O ZINC001298240414 1064145484 /nfs/dbraw/zinc/14/54/84/1064145484.db2.gz MYLVVDMLQIWZST-GOSISDBHSA-N 1 2 461.657 3.273 20 0 JGADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C ZINC001298241027 1064146489 /nfs/dbraw/zinc/14/64/89/1064146489.db2.gz YAXVUTZXBDJAQP-HKUYNNGSSA-N 1 2 474.675 3.062 20 0 JGADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001298277250 1064166701 /nfs/dbraw/zinc/16/67/01/1064166701.db2.gz ZREAJKRUUJQSKJ-GOSISDBHSA-N 1 2 452.580 3.231 20 0 JGADLO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298286047 1064173244 /nfs/dbraw/zinc/17/32/44/1064173244.db2.gz OGMYWSTVMGVAPU-UHFFFAOYSA-N 1 2 494.562 3.280 20 0 JGADLO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001298286047 1064173248 /nfs/dbraw/zinc/17/32/48/1064173248.db2.gz OGMYWSTVMGVAPU-UHFFFAOYSA-N 1 2 494.562 3.280 20 0 JGADLO CN(Cc1ccco1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298376335 1064224496 /nfs/dbraw/zinc/22/44/96/1064224496.db2.gz PCVSUEZQSQFAGP-UHFFFAOYSA-N 1 2 487.004 3.202 20 0 JGADLO CN(Cc1ccco1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001298376335 1064224506 /nfs/dbraw/zinc/22/45/06/1064224506.db2.gz PCVSUEZQSQFAGP-UHFFFAOYSA-N 1 2 487.004 3.202 20 0 JGADLO CN(Cc1cnn(C)c1)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001298396646 1064232172 /nfs/dbraw/zinc/23/21/72/1064232172.db2.gz PCHHDEDJPBRAIO-QFIPXVFZSA-N 1 2 451.619 3.310 20 0 JGADLO CN(Cc1ccsc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001298430221 1064248858 /nfs/dbraw/zinc/24/88/58/1064248858.db2.gz NFNJKZZDFNKTFO-IAGOWNOFSA-N 1 2 465.670 3.243 20 0 JGADLO CN(Cc1ccon1)c1nnc(Cc2cccnc2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001298473558 1064269904 /nfs/dbraw/zinc/26/99/04/1064269904.db2.gz NVLFAHIMGBNGOD-HXUWFJFHSA-N 1 2 453.497 3.469 20 0 JGADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(C(C)(C)C)n1CCCN(C)CC(F)(F)F)C2 ZINC001298679640 1064469223 /nfs/dbraw/zinc/46/92/23/1064469223.db2.gz NLCQIQPMSXFEFH-UHFFFAOYSA-N 1 2 453.557 3.484 20 0 JGADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cn(C)nc3I)CC2)cc1 ZINC001298696573 1064496402 /nfs/dbraw/zinc/49/64/02/1064496402.db2.gz ZGFSEWMQDZRSJQ-UHFFFAOYSA-N 1 2 452.340 3.106 20 0 JGADLO C[N@H+](CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)Cc1ccc(F)cc1 ZINC001298711530 1064516941 /nfs/dbraw/zinc/51/69/41/1064516941.db2.gz CEMXDPJWCUWBNU-NRFANRHFSA-N 1 2 491.658 3.215 20 0 JGADLO C[N@@H+](CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)Cc1ccc(F)cc1 ZINC001298711530 1064516955 /nfs/dbraw/zinc/51/69/55/1064516955.db2.gz CEMXDPJWCUWBNU-NRFANRHFSA-N 1 2 491.658 3.215 20 0 JGADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1nnc(C(C)(C)C)n1CCS(=O)(=O)C(C)(C)C ZINC001298728089 1064539099 /nfs/dbraw/zinc/53/90/99/1064539099.db2.gz MIWNOEZJMOKZOJ-UHFFFAOYSA-N 1 2 490.718 3.047 20 0 JGADLO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298728468 1064540764 /nfs/dbraw/zinc/54/07/64/1064540764.db2.gz UEXKSZLBQGKPQC-UHFFFAOYSA-N 1 2 491.080 3.256 20 0 JGADLO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298728468 1064540782 /nfs/dbraw/zinc/54/07/82/1064540782.db2.gz UEXKSZLBQGKPQC-UHFFFAOYSA-N 1 2 491.080 3.256 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Br)c2)n1C[C@]1(C)CCCO1 ZINC001298732756 1064547645 /nfs/dbraw/zinc/54/76/45/1064547645.db2.gz DOTULAZIAIVXSV-NRFANRHFSA-N 1 2 464.408 3.045 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)c[nH]2)n1CCSC(F)(F)F ZINC001298733239 1064548326 /nfs/dbraw/zinc/54/83/26/1064548326.db2.gz LTBVXTCPJNGNFX-UHFFFAOYSA-N 1 2 483.358 3.057 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2Cl)n1Cc1cccnc1OCC(F)F ZINC001298737404 1064552005 /nfs/dbraw/zinc/55/20/05/1064552005.db2.gz SZQLXZATUHPTPF-UHFFFAOYSA-N 1 2 492.958 3.454 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2cccnc2)n1Cc1ccccc1C(F)(F)F ZINC001298737405 1064552066 /nfs/dbraw/zinc/55/20/66/1064552066.db2.gz BHROAMSDLWYWIY-UHFFFAOYSA-N 1 2 460.504 3.099 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC1(C)C ZINC001298738097 1064553003 /nfs/dbraw/zinc/55/30/03/1064553003.db2.gz GHLNRWSZOOHSBO-VQTJNVASSA-N 1 2 476.666 3.207 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CCOc2ccccc2)n1C[C@H]1CCSC1(C)C ZINC001298740348 1064554846 /nfs/dbraw/zinc/55/48/46/1064554846.db2.gz FKURONMEQRYLKI-HXUWFJFHSA-N 1 2 459.660 3.200 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CC2CCCC2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001298740438 1064555054 /nfs/dbraw/zinc/55/50/54/1064555054.db2.gz JFNKHLNPOGTLKX-JOCHJYFZSA-N 1 2 490.693 3.426 20 0 JGADLO CN(CCOC(C)(C)C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001298754784 1064564941 /nfs/dbraw/zinc/56/49/41/1064564941.db2.gz UITNKKAWEOOIBP-DEOSSOPVSA-N 1 2 478.641 3.416 20 0 JGADLO CN(CCOC(C)(C)C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001298754784 1064564955 /nfs/dbraw/zinc/56/49/55/1064564955.db2.gz UITNKKAWEOOIBP-DEOSSOPVSA-N 1 2 478.641 3.416 20 0 JGADLO Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001298868064 1064671691 /nfs/dbraw/zinc/67/16/91/1064671691.db2.gz DEMQDTJARWZDGN-NRFANRHFSA-N 1 2 450.700 3.068 20 0 JGADLO CC[C@H]1CCc2[nH]c(=O)c(C(=O)N3CC[NH+]([C@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)cc2C1 ZINC001298909686 1064712173 /nfs/dbraw/zinc/71/21/73/1064712173.db2.gz SHRSIDKWXFXNMJ-HKUYNNGSSA-N 1 2 458.603 3.069 20 0 JGADLO CNC(=O)C(C)(C)Cn1c(C2CCCC2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001298930163 1064728838 /nfs/dbraw/zinc/72/88/38/1064728838.db2.gz ASGDLRDULAYDAL-UHFFFAOYSA-N 1 2 472.609 3.178 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001299000711 1064779599 /nfs/dbraw/zinc/77/95/99/1064779599.db2.gz HTCBCUZYLKJUPO-GOSISDBHSA-N 1 2 467.643 3.206 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001299002385 1064781668 /nfs/dbraw/zinc/78/16/68/1064781668.db2.gz XGVULEWNSJBOIY-GSEOLPGOSA-N 1 2 471.650 3.098 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001299002809 1064782335 /nfs/dbraw/zinc/78/23/35/1064782335.db2.gz ODLFTNFMQZGYLE-FPOVZHCZSA-N 1 2 479.629 3.375 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001299003285 1064782957 /nfs/dbraw/zinc/78/29/57/1064782957.db2.gz RYBKMROSRJOWJI-WWPVKYPJSA-N 1 2 493.656 3.308 20 0 JGADLO CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccccc3F)n2CCCc2cccc(C)[nH+]2)C1 ZINC001299028977 1064813909 /nfs/dbraw/zinc/81/39/09/1064813909.db2.gz OBWVCRNPSMZRAG-RUZDIDTESA-N 1 2 450.562 3.307 20 0 JGADLO CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCNc2cccc[nH+]2)C1 ZINC001299034677 1064824399 /nfs/dbraw/zinc/82/43/99/1064824399.db2.gz YDZDQVLJOBPCTA-SANMLTNESA-N 1 2 477.613 3.334 20 0 JGADLO CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccccc3OC)n2CCCc2cccc(C)[nH+]2)C1 ZINC001299101373 1064908243 /nfs/dbraw/zinc/90/82/43/1064908243.db2.gz SIOUHGCZGRULBP-HXUWFJFHSA-N 1 2 478.597 3.164 20 0 JGADLO COc1cc(-c2nnc(N(C)OC)n2Cc2ccc(N3CCCC3)[nH+]c2)cc(OC)c1OC ZINC001299843579 1065040805 /nfs/dbraw/zinc/04/08/05/1065040805.db2.gz DZSATKZTIFQYAL-UHFFFAOYSA-N 1 2 454.531 3.012 20 0 JGADLO COc1cc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc(OC)c1OC ZINC001299856827 1065065574 /nfs/dbraw/zinc/06/55/74/1065065574.db2.gz GFYONWBZHFULNO-JOCHJYFZSA-N 1 2 496.612 3.341 20 0 JGADLO COc1cc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[NH+]2CCOCC2)ccc1SC ZINC001299873505 1065093558 /nfs/dbraw/zinc/09/35/58/1065093558.db2.gz PEAZYACBOQNJCW-UYAOXDASSA-N 1 2 475.659 3.260 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@H](CC(N)=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001299905482 1065146205 /nfs/dbraw/zinc/14/62/05/1065146205.db2.gz GTBBLKOFUKGCRX-MRXNPFEDSA-N 1 2 484.004 3.208 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCc1nnc(C)[nH]1 ZINC001299908628 1065152603 /nfs/dbraw/zinc/15/26/03/1065152603.db2.gz XMYZLXIEHBJFMA-UHFFFAOYSA-N 1 2 458.998 3.197 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)n1C[C@H](C)SC ZINC001299909282 1065157291 /nfs/dbraw/zinc/15/72/91/1065157291.db2.gz SOSABMULWMCLEF-JKSUJKDBSA-N 1 2 493.077 3.148 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H](C)c2nc(C)cs2)c1 ZINC001299932064 1065197118 /nfs/dbraw/zinc/19/71/18/1065197118.db2.gz KCYIAUSLGOFCJL-KRWDZBQOSA-N 1 2 486.642 3.299 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2Cc2c[nH+]ccc2OC)c1 ZINC001299946438 1065220907 /nfs/dbraw/zinc/22/09/07/1065220907.db2.gz DQRWIRMGZAZIBC-UHFFFAOYSA-N 1 2 494.596 3.109 20 0 JGADLO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(CC(C)C)n2CC2([S@@](C)=O)CC2)CC1 ZINC001299990544 1065294453 /nfs/dbraw/zinc/29/44/53/1065294453.db2.gz IXCPVLLZCIMSKL-JGCGQSQUSA-N 1 2 459.660 3.027 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CCCNc2cccc[nH+]2)cc1C ZINC001492237281 1065336665 /nfs/dbraw/zinc/33/66/65/1065336665.db2.gz HIADZAXOVZMFMM-UHFFFAOYSA-N 1 2 473.585 3.414 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1C ZINC001492336305 1065402715 /nfs/dbraw/zinc/40/27/15/1065402715.db2.gz ADWNOHSBKVJTIP-DYXWJJEUSA-N 1 2 497.562 3.351 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1C ZINC001492336305 1065402721 /nfs/dbraw/zinc/40/27/21/1065402721.db2.gz ADWNOHSBKVJTIP-DYXWJJEUSA-N 1 2 497.562 3.351 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)n2CC(C)C)cc1C ZINC001492391041 1065418808 /nfs/dbraw/zinc/41/88/08/1065418808.db2.gz KJRRDKHUXHAVPH-RUZDIDTESA-N 1 2 484.689 3.361 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2CCC(C)C)cc1 ZINC001492383488 1065447779 /nfs/dbraw/zinc/44/77/79/1065447779.db2.gz TUJBHWCAFNXWCE-QFIPXVFZSA-N 1 2 468.646 3.345 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001492340963 1065456551 /nfs/dbraw/zinc/45/65/51/1065456551.db2.gz WZOSYBRXNOIQGH-HXUWFJFHSA-N 1 2 457.619 3.280 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CCOc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCOCC2)cs1 ZINC001492424397 1065482849 /nfs/dbraw/zinc/48/28/49/1065482849.db2.gz IHJQXSCHUJIADO-IBGZPJMESA-N 1 2 470.643 3.178 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001492444518 1065499764 /nfs/dbraw/zinc/49/97/64/1065499764.db2.gz CTCFRYXLLZMCRQ-UHFFFAOYSA-N 1 2 488.702 3.341 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001492444518 1065499772 /nfs/dbraw/zinc/49/97/72/1065499772.db2.gz CTCFRYXLLZMCRQ-UHFFFAOYSA-N 1 2 488.702 3.341 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001492448897 1065501682 /nfs/dbraw/zinc/50/16/82/1065501682.db2.gz LOKMNHNCAYIDKP-HXUWFJFHSA-N 1 2 489.686 3.435 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCNc2cccc[nH+]2)cc1 ZINC001492466172 1065514317 /nfs/dbraw/zinc/51/43/17/1065514317.db2.gz YWBAZKSNCOKXGV-IBGZPJMESA-N 1 2 465.627 3.443 20 0 JGADLO CO[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+]2CCOCC2)CC[C@H]1C ZINC001300803770 1065535136 /nfs/dbraw/zinc/53/51/36/1065535136.db2.gz JTMRBCDBUUZMER-BZUAXINKSA-N 1 2 484.464 3.351 20 0 JGADLO CO[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCOC[C@H]2C)CC1(C)C ZINC001300804782 1065536882 /nfs/dbraw/zinc/53/68/82/1065536882.db2.gz SVYMCHKKSDRRKQ-ZBFHGGJFSA-N 1 2 484.464 3.351 20 0 JGADLO CO[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCOC[C@H]2C)CC1(C)C ZINC001300804782 1065536897 /nfs/dbraw/zinc/53/68/97/1065536897.db2.gz SVYMCHKKSDRRKQ-ZBFHGGJFSA-N 1 2 484.464 3.351 20 0 JGADLO CO[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1(C)C ZINC001300804781 1065536962 /nfs/dbraw/zinc/53/69/62/1065536962.db2.gz SVYMCHKKSDRRKQ-HOCLYGCPSA-N 1 2 484.464 3.351 20 0 JGADLO CO[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCOC[C@@H]2C)CC1(C)C ZINC001300804781 1065536975 /nfs/dbraw/zinc/53/69/75/1065536975.db2.gz SVYMCHKKSDRRKQ-HOCLYGCPSA-N 1 2 484.464 3.351 20 0 JGADLO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCOC[C@H]2C)CC[C@@H]1C ZINC001300839385 1065575925 /nfs/dbraw/zinc/57/59/25/1065575925.db2.gz RLVKNBHHVPAMFI-QZNHQXDQSA-N 1 2 457.619 3.056 20 0 JGADLO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCOC[C@H]2C)CC[C@@H]1C ZINC001300839385 1065575929 /nfs/dbraw/zinc/57/59/29/1065575929.db2.gz RLVKNBHHVPAMFI-QZNHQXDQSA-N 1 2 457.619 3.056 20 0 JGADLO COCC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001300950129 1065753807 /nfs/dbraw/zinc/75/38/07/1065753807.db2.gz ZTMOJEYKDSNDRU-UHFFFAOYSA-N 1 2 469.565 3.094 20 0 JGADLO COC[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001300978274 1065788385 /nfs/dbraw/zinc/78/83/85/1065788385.db2.gz DRAVIYPAFFDKIX-GOSISDBHSA-N 1 2 470.643 3.247 20 0 JGADLO COC[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001300980327 1065790899 /nfs/dbraw/zinc/79/08/99/1065790899.db2.gz SEMFIUSJRIULGF-QGZVFWFLSA-N 1 2 458.607 3.378 20 0 JGADLO COC[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001301013070 1065845521 /nfs/dbraw/zinc/84/55/21/1065845521.db2.gz FPURGOGDOQFOEM-HXUWFJFHSA-N 1 2 495.628 3.164 20 0 JGADLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cc1 ZINC001301032298 1065872743 /nfs/dbraw/zinc/87/27/43/1065872743.db2.gz YMXSCPHKWHPHEC-MRXNPFEDSA-N 1 2 456.340 3.304 20 0 JGADLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cc1 ZINC001301032298 1065872752 /nfs/dbraw/zinc/87/27/52/1065872752.db2.gz YMXSCPHKWHPHEC-MRXNPFEDSA-N 1 2 456.340 3.304 20 0 JGADLO COC[C@H](F)Cn1c(-c2ccccn2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001301052647 1065901056 /nfs/dbraw/zinc/90/10/56/1065901056.db2.gz GJUDTWYVQRHGJW-FUHWJXTLSA-N 1 2 460.504 3.486 20 0 JGADLO C[C@H](C(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001301077997 1065928017 /nfs/dbraw/zinc/92/80/17/1065928017.db2.gz JBNFFQIEXNCHHR-OPAMFIHVSA-N 1 2 453.480 3.379 20 0 JGADLO COCC1=CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001301184937 1066014789 /nfs/dbraw/zinc/01/47/89/1066014789.db2.gz XZLJEHXGLGLKAF-OALUTQOASA-N 1 2 459.566 3.061 20 0 JGADLO COCC1=CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001301184937 1066014797 /nfs/dbraw/zinc/01/47/97/1066014797.db2.gz XZLJEHXGLGLKAF-OALUTQOASA-N 1 2 459.566 3.061 20 0 JGADLO COCC1=CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001301199719 1066025670 /nfs/dbraw/zinc/02/56/70/1066025670.db2.gz RUFUMWPHHKVTRJ-UHFFFAOYSA-N 1 2 482.673 3.283 20 0 JGADLO COCC1=CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001301199719 1066025677 /nfs/dbraw/zinc/02/56/77/1066025677.db2.gz RUFUMWPHHKVTRJ-UHFFFAOYSA-N 1 2 482.673 3.283 20 0 JGADLO CC(C)[C@@H](CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)NC(=O)OC(C)(C)C ZINC001301242921 1066059833 /nfs/dbraw/zinc/05/98/33/1066059833.db2.gz ZBLFBBRVLHAPBK-GHTZIAJQSA-N 1 2 450.599 3.392 20 0 JGADLO COC[C@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001301256046 1066070930 /nfs/dbraw/zinc/07/09/30/1066070930.db2.gz JJJGUTAHLVMLAO-SFHVURJKSA-N 1 2 484.988 3.176 20 0 JGADLO COCC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001301340737 1066130525 /nfs/dbraw/zinc/13/05/25/1066130525.db2.gz GHHMUQIFXSAUIL-OAQYLSRUSA-N 1 2 457.619 3.057 20 0 JGADLO COCC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001301340737 1066130527 /nfs/dbraw/zinc/13/05/27/1066130527.db2.gz GHHMUQIFXSAUIL-OAQYLSRUSA-N 1 2 457.619 3.057 20 0 JGADLO COCC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001301340736 1066130615 /nfs/dbraw/zinc/13/06/15/1066130615.db2.gz GHHMUQIFXSAUIL-NRFANRHFSA-N 1 2 457.619 3.057 20 0 JGADLO COCC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001301340736 1066130617 /nfs/dbraw/zinc/13/06/17/1066130617.db2.gz GHHMUQIFXSAUIL-NRFANRHFSA-N 1 2 457.619 3.057 20 0 JGADLO COCCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001301427475 1066223659 /nfs/dbraw/zinc/22/36/59/1066223659.db2.gz URUVMTSFLLKANP-UHFFFAOYSA-N 1 2 485.608 3.211 20 0 JGADLO COCC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001301445038 1066256698 /nfs/dbraw/zinc/25/66/98/1066256698.db2.gz LWJUWIVTVMCUNG-DEOSSOPVSA-N 1 2 471.005 3.103 20 0 JGADLO COCCO[C@@H](C)c1nnc(N(C)[C@H]2CCSC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001301965875 1066270783 /nfs/dbraw/zinc/27/07/83/1066270783.db2.gz PRYJWEMULIMOBU-ICSRJNTNSA-N 1 2 460.648 3.377 20 0 JGADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CCSCC(F)(F)F)CC1 ZINC001301981872 1066289517 /nfs/dbraw/zinc/28/95/17/1066289517.db2.gz NKWYXWZXDFZWRL-INIZCTEOSA-N 1 2 476.613 3.004 20 0 JGADLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCOC(F)(F)F)CC1 ZINC001301982426 1066290448 /nfs/dbraw/zinc/29/04/48/1066290448.db2.gz KPEYMBHQJASTTK-GOSISDBHSA-N 1 2 494.562 3.441 20 0 JGADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C3CCCC3)n2CCSCC(F)(F)F)CC1 ZINC001301983142 1066291572 /nfs/dbraw/zinc/29/15/72/1066291572.db2.gz XURKGZGWNRFFOL-QGZVFWFLSA-N 1 2 488.624 3.364 20 0 JGADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CCc2c(F)cccc2F)CC1 ZINC001301983411 1066292084 /nfs/dbraw/zinc/29/20/84/1066292084.db2.gz ZZEXONWZFHCHJN-SFHVURJKSA-N 1 2 474.600 3.229 20 0 JGADLO C[C@H]([C@H](C)N(C)c1nnc(C2CCC2)n1Cc1cc[nH+]c(N2CCCCC2)c1)S(C)(=O)=O ZINC001301987634 1066302667 /nfs/dbraw/zinc/30/26/67/1066302667.db2.gz ASMVIXOLHKCJPA-ZWKOTPCHSA-N 1 2 460.648 3.237 20 0 JGADLO COc1ccc(C(=O)N[C@@H](C(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)c2ccccc2)cc1 ZINC001302002167 1066336772 /nfs/dbraw/zinc/33/67/72/1066336772.db2.gz BZBORDOARUAYQQ-LOSJGSFVSA-N 1 2 459.546 3.348 20 0 JGADLO COc1cccc([C@H]2CN(C(=O)c3ccc(Cn4cc(N)c(C(F)(F)F)n4)cc3)CC[NH2+]2)c1 ZINC001302003308 1066338327 /nfs/dbraw/zinc/33/83/27/1066338327.db2.gz NPIDGWRPKMCPEA-HXUWFJFHSA-N 1 2 459.472 3.328 20 0 JGADLO COc1cccc([C@@H]2CN(C(=O)c3ccc(Cn4cc(N)c(C(F)(F)F)n4)cc3)CC[NH2+]2)c1 ZINC001302003306 1066338368 /nfs/dbraw/zinc/33/83/68/1066338368.db2.gz NPIDGWRPKMCPEA-FQEVSTJZSA-N 1 2 459.472 3.328 20 0 JGADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001302004888 1066342424 /nfs/dbraw/zinc/34/24/24/1066342424.db2.gz XKLLVWQBJKUPDT-OALUTQOASA-N 1 2 474.675 3.312 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[C@H](c3cccc(C)c3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302012826 1066357402 /nfs/dbraw/zinc/35/74/02/1066357402.db2.gz DIFVYSAZDVEGCN-GMAHTHKFSA-N 1 2 471.646 3.415 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[C@H](c3cccc(C)c3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302012826 1066357416 /nfs/dbraw/zinc/35/74/16/1066357416.db2.gz DIFVYSAZDVEGCN-GMAHTHKFSA-N 1 2 471.646 3.415 20 0 JGADLO COCCCN(C)c1nnc(-c2cccnc2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001301590972 1066429438 /nfs/dbraw/zinc/42/94/38/1066429438.db2.gz PHYBQBZSACRYON-QHCPKHFHSA-N 1 2 450.587 3.195 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCCCCC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302066765 1066468729 /nfs/dbraw/zinc/46/87/29/1066468729.db2.gz VTFCAEFNNLKPET-FYYLOGMGSA-N 1 2 457.619 3.456 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302067173 1066469515 /nfs/dbraw/zinc/46/95/15/1066469515.db2.gz XVZURABDUNIQIK-OFVILXPXSA-N 1 2 461.651 3.440 20 0 JGADLO CC(=O)c1ccc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)[NH+]3CCOCC3)CC2)c(F)c1 ZINC001301628724 1066488016 /nfs/dbraw/zinc/48/80/16/1066488016.db2.gz VDKMFJZEBCOQTP-LJQANCHMSA-N 1 2 486.636 3.256 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1Cc1ncccc1C ZINC001302084565 1066508005 /nfs/dbraw/zinc/50/80/05/1066508005.db2.gz MLRFUADNYKRTSK-NRFANRHFSA-N 1 2 494.644 3.302 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1ccc(F)c(F)c1 ZINC001302084628 1066508402 /nfs/dbraw/zinc/50/84/02/1066508402.db2.gz NELBGSGLYLAJGC-QGZVFWFLSA-N 1 2 458.513 3.050 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCc1cccc(F)c1 ZINC001302085989 1066510361 /nfs/dbraw/zinc/51/03/61/1066510361.db2.gz XLWMUCXQCLPPPV-IBGZPJMESA-N 1 2 454.550 3.106 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1C[C@H]1CCSC1(C)C ZINC001302088544 1066513987 /nfs/dbraw/zinc/51/39/87/1066513987.db2.gz FGGPOMRMYGTDFV-RBUKOAKNSA-N 1 2 478.663 3.152 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1Cc1cscc1C ZINC001302088595 1066514543 /nfs/dbraw/zinc/51/45/43/1066514543.db2.gz FQUMJDYHTAYBOL-GOSISDBHSA-N 1 2 460.604 3.039 20 0 JGADLO CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001301650164 1066516170 /nfs/dbraw/zinc/51/61/70/1066516170.db2.gz ZNCXADTXBPYTGR-LJQANCHMSA-N 1 2 453.566 3.253 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001302090456 1066517853 /nfs/dbraw/zinc/51/78/53/1066517853.db2.gz VJZMXJUMDFJHKA-ROUUACIJSA-N 1 2 468.549 3.056 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1Cc1ccncc1Cl ZINC001302090813 1066518316 /nfs/dbraw/zinc/51/83/16/1066518316.db2.gz XYYJMYAZWSVQBH-INIZCTEOSA-N 1 2 492.049 3.186 20 0 JGADLO Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)c(C)c1 ZINC001301657793 1066526882 /nfs/dbraw/zinc/52/68/82/1066526882.db2.gz DYNWLZMNGGGJKK-HXUWFJFHSA-N 1 2 450.004 3.107 20 0 JGADLO CC(C)(C)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302099759 1066532532 /nfs/dbraw/zinc/53/25/32/1066532532.db2.gz UOZNDMVBWJJRTD-RUZDIDTESA-N 1 2 456.635 3.497 20 0 JGADLO COCCCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2Cc2c[nH+]ccc2OC)CC1 ZINC001301666200 1066541781 /nfs/dbraw/zinc/54/17/81/1066541781.db2.gz PEXFWOPDNAMYOL-UHFFFAOYSA-N 1 2 499.015 3.420 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCSC(C)(C)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001302106972 1066542554 /nfs/dbraw/zinc/54/25/54/1066542554.db2.gz YRNASRDHAYPVGJ-RBUKOAKNSA-N 1 2 490.674 3.002 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCSC(C)(C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001302106968 1066542759 /nfs/dbraw/zinc/54/27/59/1066542759.db2.gz YRNASRDHAYPVGJ-MOPGFXCFSA-N 1 2 490.674 3.002 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302109614 1066548032 /nfs/dbraw/zinc/54/80/32/1066548032.db2.gz AQWIXCPTIZWLCN-FQOCKNPQSA-N 1 2 489.686 3.406 20 0 JGADLO COCCS(=O)(=O)c1ccc(C(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC001302116282 1066556221 /nfs/dbraw/zinc/55/62/21/1066556221.db2.gz WGUUDQBHVKAVRQ-LJQANCHMSA-N 1 2 458.502 3.158 20 0 JGADLO COCCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001302179624 1066656208 /nfs/dbraw/zinc/65/62/08/1066656208.db2.gz OODRETSXMAXCRY-DUXKGJEZSA-N 1 2 479.572 3.343 20 0 JGADLO O=C(N1CCO[C@@H](C[NH+]2CCOCC2)C1)C1(c2ccccc2Br)CCCCC1 ZINC001301736194 1066658635 /nfs/dbraw/zinc/65/86/35/1066658635.db2.gz GFALFSOAXYUZJE-SFHVURJKSA-N 1 2 451.405 3.211 20 0 JGADLO COc1ccc([C@H]2CN(C(=O)c3cc(NC(=O)OCC(F)(F)F)ccc3O)CC[NH2+]2)cc1 ZINC001302181469 1066659428 /nfs/dbraw/zinc/65/94/28/1066659428.db2.gz DNFLYHJUDKBMOB-QGZVFWFLSA-N 1 2 453.417 3.298 20 0 JGADLO CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001301739221 1066660043 /nfs/dbraw/zinc/66/00/43/1066660043.db2.gz XVFNIDRAEFKANV-UHFFFAOYSA-N 1 2 453.635 3.359 20 0 JGADLO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC001301757682 1066692163 /nfs/dbraw/zinc/69/21/63/1066692163.db2.gz BSHQILSALLVNNV-YADHBBJMSA-N 1 2 498.672 3.067 20 0 JGADLO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC001301757682 1066692171 /nfs/dbraw/zinc/69/21/71/1066692171.db2.gz BSHQILSALLVNNV-YADHBBJMSA-N 1 2 498.672 3.067 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001301767871 1066711123 /nfs/dbraw/zinc/71/11/23/1066711123.db2.gz YTBFCHGKILYKEA-SFHVURJKSA-N 1 2 467.039 3.035 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001301769431 1066712886 /nfs/dbraw/zinc/71/28/86/1066712886.db2.gz BYPHRTPKIINKNA-SFHVURJKSA-N 1 2 474.600 3.184 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N(Cc2c(F)cccc2F)C2CC2)CC1 ZINC001301770689 1066713978 /nfs/dbraw/zinc/71/39/78/1066713978.db2.gz QBFXHSXWFNCOQA-UHFFFAOYSA-N 1 2 460.573 3.088 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2C[C@@H](c3ccccc3)C[C@H]2C)CC1 ZINC001301771367 1066714638 /nfs/dbraw/zinc/71/46/38/1066714638.db2.gz UDGQGMAXRALJLJ-OFNKIYASSA-N 1 2 452.647 3.413 20 0 JGADLO COCCN(CC(C)C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001301771645 1066714664 /nfs/dbraw/zinc/71/46/64/1066714664.db2.gz YGBPJJTYNCIPLZ-LJQANCHMSA-N 1 2 453.591 3.050 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 ZINC001301774733 1066720362 /nfs/dbraw/zinc/72/03/62/1066720362.db2.gz HIIHXLUONOEGTH-BHDDXSALSA-N 1 2 474.694 3.233 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N(C)Cc2scnc2C)CC1 ZINC001301774745 1066720559 /nfs/dbraw/zinc/72/05/59/1066720559.db2.gz HLRZUOZPAVYOMP-UHFFFAOYSA-N 1 2 497.669 3.039 20 0 JGADLO COCCN(Cc1ccc(C)o1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001301780064 1066729134 /nfs/dbraw/zinc/72/91/34/1066729134.db2.gz MHUGQICQIONGQC-OAQYLSRUSA-N 1 2 461.607 3.185 20 0 JGADLO O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCn1c[nH+]cc1-c1ccccc1 ZINC001301783438 1066732099 /nfs/dbraw/zinc/73/20/99/1066732099.db2.gz ZTBOEIICIFWSBA-UHFFFAOYSA-N 1 2 452.580 3.084 20 0 JGADLO COCCN(Cc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001301791717 1066742453 /nfs/dbraw/zinc/74/24/53/1066742453.db2.gz WUBWAYMDSDMNAI-CEMLEFRQSA-N 1 2 475.634 3.163 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(Cl)s2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302248214 1066779917 /nfs/dbraw/zinc/77/99/17/1066779917.db2.gz JHFWCTXEKXHZSH-LPHOPBHVSA-N 1 2 484.066 3.464 20 0 JGADLO COCCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001301822054 1066783436 /nfs/dbraw/zinc/78/34/36/1066783436.db2.gz BAOUJAXSDAYQJI-UHFFFAOYSA-N 1 2 477.432 3.441 20 0 JGADLO COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001301827790 1066792964 /nfs/dbraw/zinc/79/29/64/1066792964.db2.gz NLMXZUSGFLQRAT-HXUWFJFHSA-N 1 2 468.646 3.022 20 0 JGADLO COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001301828305 1066793906 /nfs/dbraw/zinc/79/39/06/1066793906.db2.gz YGOWFBXQEROCHV-QHCPKHFHSA-N 1 2 454.663 3.494 20 0 JGADLO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001302254422 1066795824 /nfs/dbraw/zinc/79/58/24/1066795824.db2.gz RBRINGRQFOOMFD-HXUWFJFHSA-N 1 2 499.660 3.207 20 0 JGADLO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCNc2cccc[nH+]2)C1 ZINC001302255466 1066798512 /nfs/dbraw/zinc/79/85/12/1066798512.db2.gz DUJSEGXXZXUMFQ-RBUKOAKNSA-N 1 2 471.606 3.030 20 0 JGADLO CC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001301844116 1066816498 /nfs/dbraw/zinc/81/64/98/1066816498.db2.gz RULHKXOMSKUAQA-UHFFFAOYSA-N 1 2 453.635 3.405 20 0 JGADLO CC(=O)NCC1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001301889973 1066909162 /nfs/dbraw/zinc/90/91/62/1066909162.db2.gz DKZNNKZJTQVMEW-UHFFFAOYSA-N 1 2 477.613 3.027 20 0 JGADLO CC(C)(C)[S@](=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302327262 1066928726 /nfs/dbraw/zinc/92/87/26/1066928726.db2.gz XPBWSBVYPXUWQG-XFSFLGPDSA-N 1 2 465.708 3.107 20 0 JGADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001301941296 1066988933 /nfs/dbraw/zinc/98/89/33/1066988933.db2.gz HVCPPYNJWOGLBK-RBBKRZOGSA-N 1 2 477.613 3.044 20 0 JGADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(CC(C)(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001301941460 1066989359 /nfs/dbraw/zinc/98/93/59/1066989359.db2.gz PXSCJCZAMJTWRS-GOSISDBHSA-N 1 2 476.691 3.100 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001302408335 1066990534 /nfs/dbraw/zinc/99/05/34/1066990534.db2.gz GEFYFRGFOKSNLJ-DHIUTWEWSA-N 1 2 482.673 3.218 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001302408335 1066990545 /nfs/dbraw/zinc/99/05/45/1066990545.db2.gz GEFYFRGFOKSNLJ-DHIUTWEWSA-N 1 2 482.673 3.218 20 0 JGADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccc3C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301942844 1066992456 /nfs/dbraw/zinc/99/24/56/1066992456.db2.gz ZNOVSRANTJWXMR-RBBKRZOGSA-N 1 2 491.640 3.130 20 0 JGADLO COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(CC(C)(C)C)n2CCc2cn3ccccc3[nH+]2)C1 ZINC001301943644 1066994202 /nfs/dbraw/zinc/99/42/02/1066994202.db2.gz QMMHHZZOZVIKET-PMACEKPBSA-N 1 2 481.645 3.125 20 0 JGADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC(C)(C)C)n2CCc2cn3ccccc3[nH+]2)C1 ZINC001301943649 1066994295 /nfs/dbraw/zinc/99/42/95/1066994295.db2.gz QMMHHZZOZVIKET-VQTJNVASSA-N 1 2 481.645 3.125 20 0 JGADLO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001302422598 1067009838 /nfs/dbraw/zinc/00/98/38/1067009838.db2.gz QKKOJKVULPJEJV-UHFFFAOYSA-N 1 2 479.604 3.258 20 0 JGADLO CCc1[nH]c(CNC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)c[nH+]1 ZINC001303972746 1067022669 /nfs/dbraw/zinc/02/26/69/1067022669.db2.gz KSAURWROEYEXDY-UHFFFAOYSA-N 1 2 459.616 3.067 20 0 JGADLO CCc1[nH]cc(CNC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)[nH+]1 ZINC001303972746 1067022681 /nfs/dbraw/zinc/02/26/81/1067022681.db2.gz KSAURWROEYEXDY-UHFFFAOYSA-N 1 2 459.616 3.067 20 0 JGADLO CS(=O)(=O)[C@@H]1CCCCN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001302433337 1067024279 /nfs/dbraw/zinc/02/42/79/1067024279.db2.gz APWGIYXVRBYQLD-HSZRJFAPSA-N 1 2 471.671 3.119 20 0 JGADLO CS(=O)(=O)[C@@H]1CCCCN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302433337 1067024291 /nfs/dbraw/zinc/02/42/91/1067024291.db2.gz APWGIYXVRBYQLD-HSZRJFAPSA-N 1 2 471.671 3.119 20 0 JGADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302435228 1067029307 /nfs/dbraw/zinc/02/93/07/1067029307.db2.gz SGMUNWSGGBBEAF-IBGZPJMESA-N 1 2 455.651 3.365 20 0 JGADLO CC(C)(C)[S@](=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001303997230 1067039026 /nfs/dbraw/zinc/03/90/26/1067039026.db2.gz KGWVBWNJGGQZGI-JPQMRUPTSA-N 1 2 480.078 3.447 20 0 JGADLO CC(C)C(=O)NCCN(C)c1nnc(-c2cccnc2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001302453342 1067055727 /nfs/dbraw/zinc/05/57/27/1067055727.db2.gz XDPUTDZKFMPZTQ-HXUWFJFHSA-N 1 2 471.556 3.130 20 0 JGADLO O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001302453449 1067056346 /nfs/dbraw/zinc/05/63/46/1067056346.db2.gz AZHQVANMYVJEBC-UHFFFAOYSA-N 1 2 455.356 3.358 20 0 JGADLO Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC[C@H]2C)c1C ZINC001304015184 1067058487 /nfs/dbraw/zinc/05/84/87/1067058487.db2.gz XCLHBQIHZWNSNX-HXUWFJFHSA-N 1 2 468.646 3.423 20 0 JGADLO Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC[C@H]2C)c1C ZINC001304015184 1067058499 /nfs/dbraw/zinc/05/84/99/1067058499.db2.gz XCLHBQIHZWNSNX-HXUWFJFHSA-N 1 2 468.646 3.423 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H](C)[NH+]2CCOCC2)c1C ZINC001304018406 1067062090 /nfs/dbraw/zinc/06/20/90/1067062090.db2.gz JIMQJTGVCYMHCL-CEMLEFRQSA-N 1 2 457.619 3.228 20 0 JGADLO Cc1c(CN(C)c2nnc(C(C)(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)cnn1C ZINC001304076068 1067119977 /nfs/dbraw/zinc/11/99/77/1067119977.db2.gz CXBOKMSYCKNWIO-UHFFFAOYSA-N 1 2 464.662 3.072 20 0 JGADLO CC(C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302515568 1067133937 /nfs/dbraw/zinc/13/39/37/1067133937.db2.gz LDVZFTIBVZGVLP-GOSISDBHSA-N 1 2 457.541 3.250 20 0 JGADLO Cc1occc1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001304092616 1067136465 /nfs/dbraw/zinc/13/64/65/1067136465.db2.gz OOIAGBODSXLBHE-FPOVZHCZSA-N 1 2 475.590 3.160 20 0 JGADLO Cc1c(CN(C)c2nnc(COc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)cnn1C ZINC001304097227 1067138277 /nfs/dbraw/zinc/13/82/77/1067138277.db2.gz JJCLXNQCNPKRAK-UHFFFAOYSA-N 1 2 464.549 3.184 20 0 JGADLO CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)NC(=O)OC(C)(C)C ZINC001302522914 1067142881 /nfs/dbraw/zinc/14/28/81/1067142881.db2.gz GRXXZGDGZYJIQH-FPOVZHCZSA-N 1 2 499.660 3.355 20 0 JGADLO Cc1ccoc1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001304114880 1067154860 /nfs/dbraw/zinc/15/48/60/1067154860.db2.gz ICMAYSWWWVOLDN-HXUWFJFHSA-N 1 2 488.633 3.111 20 0 JGADLO CS[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001302547710 1067183553 /nfs/dbraw/zinc/18/35/53/1067183553.db2.gz KKOVWUDZYRBSOX-INIZCTEOSA-N 1 2 486.667 3.124 20 0 JGADLO CS[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001302552600 1067189979 /nfs/dbraw/zinc/18/99/79/1067189979.db2.gz DZJPABAYRWSXCM-KRWDZBQOSA-N 1 2 474.034 3.341 20 0 JGADLO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCOCC2)cn1 ZINC001302553588 1067191690 /nfs/dbraw/zinc/19/16/90/1067191690.db2.gz GNZIINPRLMVPIB-HXUWFJFHSA-N 1 2 457.623 3.180 20 0 JGADLO CS[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001302560229 1067201127 /nfs/dbraw/zinc/20/11/27/1067201127.db2.gz BZWFXQUHMWHYJC-SFTDATJTSA-N 1 2 470.687 3.062 20 0 JGADLO CS[C@@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001302567725 1067207228 /nfs/dbraw/zinc/20/72/28/1067207228.db2.gz FWYZPCKNSGJVTE-INIZCTEOSA-N 1 2 457.579 3.173 20 0 JGADLO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CC1(C(N)=O)CCCC1 ZINC001302571951 1067211707 /nfs/dbraw/zinc/21/17/07/1067211707.db2.gz IUQPDURARAXHKJ-SFHVURJKSA-N 1 2 460.648 3.018 20 0 JGADLO CC(C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@](C)(O)c1ccco1 ZINC001302573851 1067213289 /nfs/dbraw/zinc/21/32/89/1067213289.db2.gz UGGJIKYIVIXEJV-WZONZLPQSA-N 1 2 459.616 3.473 20 0 JGADLO Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)no1 ZINC001304168396 1067215295 /nfs/dbraw/zinc/21/52/95/1067215295.db2.gz HLJGRBZVCSRASB-UHFFFAOYSA-N 1 2 481.645 3.433 20 0 JGADLO Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)no1 ZINC001304168396 1067215302 /nfs/dbraw/zinc/21/53/02/1067215302.db2.gz HLJGRBZVCSRASB-UHFFFAOYSA-N 1 2 481.645 3.433 20 0 JGADLO CS[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC001302581913 1067220561 /nfs/dbraw/zinc/22/05/61/1067220561.db2.gz TYTBLTDDCGXQPJ-GOSISDBHSA-N 1 2 480.642 3.425 20 0 JGADLO CS[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)C(C)(C)C ZINC001302582201 1067221080 /nfs/dbraw/zinc/22/10/80/1067221080.db2.gz WRMCJPMOBHILSL-ROUUACIJSA-N 1 2 477.704 3.094 20 0 JGADLO Cc1cc(C)cc(OCCn2c(C(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)c1 ZINC001304184803 1067235849 /nfs/dbraw/zinc/23/58/49/1067235849.db2.gz HUIJCAFGYJVIKG-RUZDIDTESA-N 1 2 484.689 3.329 20 0 JGADLO C[C@@H](CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)cc1 ZINC001304193943 1067243759 /nfs/dbraw/zinc/24/37/59/1067243759.db2.gz MUUYNXPVLXEXGI-KRWDZBQOSA-N 1 2 459.388 3.193 20 0 JGADLO Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)cs1 ZINC001304210428 1067254714 /nfs/dbraw/zinc/25/47/14/1067254714.db2.gz CSNNDFSRHGYQDN-IBGZPJMESA-N 1 2 488.683 3.406 20 0 JGADLO Cc1cc(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N(C)CC[NH+]2CCOCC2)no1 ZINC001304225548 1067264616 /nfs/dbraw/zinc/26/46/16/1067264616.db2.gz RIMQPDYHHALMOS-UHFFFAOYSA-N 1 2 481.384 3.277 20 0 JGADLO Cc1cc(F)ccc1CCn1c(C(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001304242069 1067279035 /nfs/dbraw/zinc/27/90/35/1067279035.db2.gz YWKWFADKUAXDCF-XMMPIXPASA-N 1 2 472.653 3.323 20 0 JGADLO CC(C)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001302653361 1067279829 /nfs/dbraw/zinc/27/98/29/1067279829.db2.gz XFXJACOIMVZYDR-HXUWFJFHSA-N 1 2 483.661 3.060 20 0 JGADLO Cc1cc(N2CCN(c3nnc(CC(C)(C)C)n3CC(=O)NCC(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC001304245218 1067280659 /nfs/dbraw/zinc/28/06/59/1067280659.db2.gz JTZMOEDAHZOMCT-UHFFFAOYSA-N 1 2 496.582 3.094 20 0 JGADLO Cc1cc(N2CCN(c3nnc(Cc4cccnc4)n3CC(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC001304245914 1067281138 /nfs/dbraw/zinc/28/11/38/1067281138.db2.gz SLSVNHOVRNQVAD-UHFFFAOYSA-N 1 2 460.508 3.375 20 0 JGADLO Cc1cccc(OCCN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001304251127 1067286318 /nfs/dbraw/zinc/28/63/18/1067286318.db2.gz WGQFYYCPWPCSFT-UHFFFAOYSA-N 1 2 477.613 3.283 20 0 JGADLO CSc1ccccc1CN(C)c1nnc(Cc2csc(C)n2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001302663184 1067289882 /nfs/dbraw/zinc/28/98/82/1067289882.db2.gz HZXVBTIZZRTHIC-UHFFFAOYSA-N 1 2 499.710 3.156 20 0 JGADLO Cc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC001304255161 1067290524 /nfs/dbraw/zinc/29/05/24/1067290524.db2.gz YOCIKPUHUOPPNE-XZOQPEGZSA-N 1 2 482.673 3.385 20 0 JGADLO Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)[NH+]3CCOCC3)CC2)s1 ZINC001304260088 1067294737 /nfs/dbraw/zinc/29/47/37/1067294737.db2.gz OIRLBXAXLSXINZ-QGZVFWFLSA-N 1 2 474.675 3.065 20 0 JGADLO CC(C)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001302678164 1067303585 /nfs/dbraw/zinc/30/35/85/1067303585.db2.gz CMMJFWMIMWWXFD-TZIWHRDSSA-N 1 2 480.579 3.375 20 0 JGADLO CC(C)c1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001302678164 1067303595 /nfs/dbraw/zinc/30/35/95/1067303595.db2.gz CMMJFWMIMWWXFD-TZIWHRDSSA-N 1 2 480.579 3.375 20 0 JGADLO CS[C@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001302678542 1067304344 /nfs/dbraw/zinc/30/43/44/1067304344.db2.gz OKJMWAOKTYENQI-ICSRJNTNSA-N 1 2 463.673 3.238 20 0 JGADLO CC(C)c1nnc(N2CCN(c3cnccn3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001302683113 1067308947 /nfs/dbraw/zinc/30/89/47/1067308947.db2.gz RHCARUGCHWVPRO-IBGZPJMESA-N 1 2 456.545 3.099 20 0 JGADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001304275987 1067313694 /nfs/dbraw/zinc/31/36/94/1067313694.db2.gz ZTYFTHVHMYWUOV-LEWJYISDSA-N 1 2 457.619 3.235 20 0 JGADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001304275987 1067313708 /nfs/dbraw/zinc/31/37/08/1067313708.db2.gz ZTYFTHVHMYWUOV-LEWJYISDSA-N 1 2 457.619 3.235 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(OC(F)F)cc1 ZINC001302693892 1067319270 /nfs/dbraw/zinc/31/92/70/1067319270.db2.gz YRWTWVLSSXXJCW-JOCHJYFZSA-N 1 2 492.615 3.282 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CC(=O)N(C)C2CCCCC2)c1 ZINC001304287793 1067330432 /nfs/dbraw/zinc/33/04/32/1067330432.db2.gz VEWSVALWVBVPMV-UHFFFAOYSA-N 1 2 498.672 3.033 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001304287821 1067330764 /nfs/dbraw/zinc/33/07/64/1067330764.db2.gz KFMJVYYAZJRHMK-PKTZIBPZSA-N 1 2 471.646 3.446 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCc2cccc(C)[nH+]2)c1 ZINC001304289621 1067335351 /nfs/dbraw/zinc/33/53/51/1067335351.db2.gz VSQKGFNMVAHDAL-OAQYLSRUSA-N 1 2 462.598 3.477 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001304291484 1067339560 /nfs/dbraw/zinc/33/95/60/1067339560.db2.gz MWYIEKJVTJUMDA-JTHBVZDNSA-N 1 2 471.646 3.446 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001304291926 1067339898 /nfs/dbraw/zinc/33/98/98/1067339898.db2.gz PDZSPEOODXLIKJ-JTHBVZDNSA-N 1 2 457.619 3.056 20 0 JGADLO Cc1ccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2ccc(N3CCCCCC3)[nH+]c2)o1 ZINC001304294256 1067343463 /nfs/dbraw/zinc/34/34/63/1067343463.db2.gz NKPMTXCKLSIKFX-QGZVFWFLSA-N 1 2 451.575 3.370 20 0 JGADLO CSCC[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001302731899 1067345987 /nfs/dbraw/zinc/34/59/87/1067345987.db2.gz OGZBLWCOFHHXCK-CTNGQTDRSA-N 1 2 498.701 3.386 20 0 JGADLO CSCCCCCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001302746602 1067354773 /nfs/dbraw/zinc/35/47/73/1067354773.db2.gz QPABVJKCUMZUQB-HXUWFJFHSA-N 1 2 471.675 3.006 20 0 JGADLO CC(C)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001302764424 1067364855 /nfs/dbraw/zinc/36/48/55/1067364855.db2.gz UPPQUNXABNPRAM-YLJYHZDGSA-N 1 2 460.573 3.464 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccc(Cl)nc2)cc1C ZINC001304374154 1067412603 /nfs/dbraw/zinc/41/26/03/1067412603.db2.gz BIYGCTWCZDNDFK-UHFFFAOYSA-N 1 2 484.004 3.012 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2CCc2cccs2)cc1C ZINC001304374440 1067413433 /nfs/dbraw/zinc/41/34/33/1067413433.db2.gz DEZGXQCFTOYUQL-UHFFFAOYSA-N 1 2 468.627 3.220 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001304376067 1067416770 /nfs/dbraw/zinc/41/67/70/1067416770.db2.gz SIGVOMYWGKYVGJ-ISKFKSNPSA-N 1 2 498.672 3.367 20 0 JGADLO CC(C)Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001302892334 1067472558 /nfs/dbraw/zinc/47/25/58/1067472558.db2.gz GDNPZGSEQAPHJX-UHFFFAOYSA-N 1 2 477.535 3.262 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCNC(=O)C(C)C)cc1C ZINC001304411314 1067479187 /nfs/dbraw/zinc/47/91/87/1067479187.db2.gz BWCPUUBOZCYISA-UHFFFAOYSA-N 1 2 491.640 3.270 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1C ZINC001304423978 1067500681 /nfs/dbraw/zinc/50/06/81/1067500681.db2.gz CHKQQOZPLZZQRO-FYYLOGMGSA-N 1 2 457.619 3.056 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001304425602 1067503374 /nfs/dbraw/zinc/50/33/74/1067503374.db2.gz RHSHDIKBVCKGPX-IRLDBZIGSA-N 1 2 457.619 3.138 20 0 JGADLO Cc1cccc([C@@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@@H](C)CC(N)=O)[NH+]2CCOCC2)c1 ZINC001304442463 1067523751 /nfs/dbraw/zinc/52/37/51/1067523751.db2.gz KWIXFIHUNSHZFX-SIKLNZKXSA-N 1 2 482.654 3.012 20 0 JGADLO FC(F)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001302952991 1067525304 /nfs/dbraw/zinc/52/53/04/1067525304.db2.gz OUFGQMIZYTWEFC-GOSISDBHSA-N 1 2 469.964 3.429 20 0 JGADLO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001304443354 1067525448 /nfs/dbraw/zinc/52/54/48/1067525448.db2.gz SHRXOTVZHQSBLC-OFNKIYASSA-N 1 2 484.645 3.414 20 0 JGADLO Cc1cccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2CCCC(C)C)n1 ZINC001304477989 1067556424 /nfs/dbraw/zinc/55/64/24/1067556424.db2.gz VPHBKDWNTGCZTC-OAQYLSRUSA-N 1 2 453.635 3.218 20 0 JGADLO Cc1cccc([C@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNc2cccc[nH+]2)c1 ZINC001304480956 1067560759 /nfs/dbraw/zinc/56/07/59/1067560759.db2.gz AWWSLHKQDDZUKI-TZIWHRDSSA-N 1 2 483.642 3.435 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001304483872 1067563370 /nfs/dbraw/zinc/56/33/70/1067563370.db2.gz XXUOGMIQRDHUOB-FXAWDEMLSA-N 1 2 485.633 3.102 20 0 JGADLO Cc1cccc(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC(CC(N)=O)CC2)[nH+]1 ZINC001304485782 1067564531 /nfs/dbraw/zinc/56/45/31/1067564531.db2.gz IHABXFRPFRJOSZ-UHFFFAOYSA-N 1 2 450.562 3.436 20 0 JGADLO Cc1cccc(CCCn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H]2CCCOC2)[nH+]1 ZINC001304488307 1067566701 /nfs/dbraw/zinc/56/67/01/1067566701.db2.gz FKSUNFPGOQLZKJ-IBGZPJMESA-N 1 2 468.627 3.469 20 0 JGADLO Cc1cccc(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@](C)(C(C)(C)C)C2)[nH+]1 ZINC001304488955 1067567019 /nfs/dbraw/zinc/56/70/19/1067567019.db2.gz SYERJQATWQGAKI-VWLOTQADSA-N 1 2 454.619 3.378 20 0 JGADLO CC(C)CC[C@](C)(O)Cn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303023181 1067575500 /nfs/dbraw/zinc/57/55/00/1067575500.db2.gz UPZXBKZQTIJSEL-IZZNHLLZSA-N 1 2 486.661 3.228 20 0 JGADLO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001304502355 1067576736 /nfs/dbraw/zinc/57/67/36/1067576736.db2.gz GXHIYAZMWFKMFP-TZIWHRDSSA-N 1 2 489.667 3.153 20 0 JGADLO CC(C)CCCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001303026653 1067578490 /nfs/dbraw/zinc/57/84/90/1067578490.db2.gz HCAWMMCQHJSTRW-HSZRJFAPSA-N 1 2 455.651 3.008 20 0 JGADLO CC(C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001303030380 1067579342 /nfs/dbraw/zinc/57/93/42/1067579342.db2.gz UMDLSRWJRVAOKW-KRWDZBQOSA-N 1 2 460.026 3.219 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001304534266 1067604749 /nfs/dbraw/zinc/60/47/49/1067604749.db2.gz IMLWUUIWZHNPFF-ICSRJNTNSA-N 1 2 457.600 3.163 20 0 JGADLO Cc1ccccc1-c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCOC(C)(C)C ZINC001304538612 1067610211 /nfs/dbraw/zinc/61/02/11/1067610211.db2.gz YXKAMUSAZYSLCP-OAQYLSRUSA-N 1 2 468.646 3.202 20 0 JGADLO Cc1ccccc1Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001304548743 1067617680 /nfs/dbraw/zinc/61/76/80/1067617680.db2.gz ZXZNHKPVACGOHD-SFTDATJTSA-N 1 2 473.668 3.165 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC[S@](=O)C(C)(C)C ZINC001304561603 1067631919 /nfs/dbraw/zinc/63/19/19/1067631919.db2.gz PCOVREQBVJZHFT-XIFFEERXSA-N 1 2 475.703 3.272 20 0 JGADLO Cc1cnn(CCn2c(N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)nnc2C(C)(C)C)c1 ZINC001304607032 1067673780 /nfs/dbraw/zinc/67/37/80/1067673780.db2.gz QZIAKLPNPPEAQG-UHFFFAOYSA-N 1 2 451.623 3.329 20 0 JGADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(F)cc(F)c1)CCC2 ZINC001304607230 1067674292 /nfs/dbraw/zinc/67/42/92/1067674292.db2.gz UZAKIEDOPGEBDE-QGZVFWFLSA-N 1 2 457.529 3.413 20 0 JGADLO OCCCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001303152860 1067689507 /nfs/dbraw/zinc/68/95/07/1067689507.db2.gz HIGIHORKTZSMGH-UHFFFAOYSA-N 1 2 477.396 3.373 20 0 JGADLO CC(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001303161746 1067698738 /nfs/dbraw/zinc/69/87/38/1067698738.db2.gz BDWHCJUUKFVECF-PMACEKPBSA-N 1 2 472.609 3.346 20 0 JGADLO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)[C@@H](C)C1=O ZINC001303182066 1067714527 /nfs/dbraw/zinc/71/45/27/1067714527.db2.gz DTFHCGPFWQXBSZ-QHCPKHFHSA-N 1 2 495.716 3.087 20 0 JGADLO Cc1nc(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2CC[N@H+]2CCOC[C@H]2C)cs1 ZINC001304651461 1067719441 /nfs/dbraw/zinc/71/94/41/1067719441.db2.gz OKNJOEZKZBAACV-OAHLLOKOSA-N 1 2 462.570 3.269 20 0 JGADLO Cc1nc(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2CC[N@@H+]2CCOC[C@H]2C)cs1 ZINC001304651461 1067719455 /nfs/dbraw/zinc/71/94/55/1067719455.db2.gz OKNJOEZKZBAACV-OAHLLOKOSA-N 1 2 462.570 3.269 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccccc2OC(F)(F)F)cs1 ZINC001304656941 1067725119 /nfs/dbraw/zinc/72/51/19/1067725119.db2.gz QFXFATBSUCJDBT-UHFFFAOYSA-N 1 2 496.559 3.349 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2CC[N@H+]2CCOC[C@H]2C)cs1 ZINC001304659067 1067727240 /nfs/dbraw/zinc/72/72/40/1067727240.db2.gz LZHOUZCNKAJZRN-QGZVFWFLSA-N 1 2 474.606 3.009 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2CC[N@@H+]2CCOC[C@H]2C)cs1 ZINC001304659067 1067727243 /nfs/dbraw/zinc/72/72/43/1067727243.db2.gz LZHOUZCNKAJZRN-QGZVFWFLSA-N 1 2 474.606 3.009 20 0 JGADLO CC(C)COC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001303216311 1067753463 /nfs/dbraw/zinc/75/34/63/1067753463.db2.gz QZLKCNYAFGBWCB-UHFFFAOYSA-N 1 2 478.601 3.076 20 0 JGADLO CC(C)COC(=O)N1CCN(c2nnc(CC(C)C)n2CCc2cn3ccccc3[nH+]2)CC1 ZINC001303216724 1067754144 /nfs/dbraw/zinc/75/41/44/1067754144.db2.gz WUNITYUMUDFMGQ-UHFFFAOYSA-N 1 2 453.591 3.282 20 0 JGADLO CC(C)COc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001303220153 1067757492 /nfs/dbraw/zinc/75/74/92/1067757492.db2.gz KBKRBRIGFFRVLC-QHCPKHFHSA-N 1 2 457.619 3.371 20 0 JGADLO Cc1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)s1 ZINC001304692918 1067766380 /nfs/dbraw/zinc/76/63/80/1067766380.db2.gz JWLVLAUWXQUSKD-PXNSSMCTSA-N 1 2 492.646 3.024 20 0 JGADLO Cc1ncc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304698580 1067768787 /nfs/dbraw/zinc/76/87/87/1067768787.db2.gz QDRXMWFYUKKSRH-MRXNPFEDSA-N 1 2 460.579 3.139 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4cccn4C)n3CCCN(C)CC(F)(F)F)CC2)s1 ZINC001304699592 1067769936 /nfs/dbraw/zinc/76/99/36/1067769936.db2.gz IFIQJGKHZKGJPT-UHFFFAOYSA-N 1 2 496.607 3.255 20 0 JGADLO Cc1nc(N2CCN(c3nnc(C(C)(C)C)n3CCc3nccc(C(F)(F)F)n3)CC2)cc[nH+]1 ZINC001304700352 1067770519 /nfs/dbraw/zinc/77/05/19/1067770519.db2.gz OXSLYTJKDGUTKI-UHFFFAOYSA-N 1 2 475.523 3.052 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(Cc4ccccn4)n3CCCOC(F)(F)F)CC2)s1 ZINC001304699951 1067770580 /nfs/dbraw/zinc/77/05/80/1067770580.db2.gz NTYZTWFZJBJPHG-UHFFFAOYSA-N 1 2 481.548 3.278 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4ccccn4)n3CCCOCC(F)F)CC2)s1 ZINC001304700497 1067771039 /nfs/dbraw/zinc/77/10/39/1067771039.db2.gz SOVWJPGPZSWXPO-UHFFFAOYSA-N 1 2 463.558 3.099 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)Cc3cccs3)CC2)s1 ZINC001304700641 1067771361 /nfs/dbraw/zinc/77/13/61/1067771361.db2.gz PKZHMYQWCKDRKW-KRWDZBQOSA-N 1 2 487.699 3.444 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001304701207 1067771771 /nfs/dbraw/zinc/77/17/71/1067771771.db2.gz AVPXSMOFMLXUQL-AREMUKBSSA-N 1 2 479.629 3.306 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3Cc3ncccc3N(C)C)CC2)s1 ZINC001304701028 1067771831 /nfs/dbraw/zinc/77/18/31/1067771831.db2.gz XWHZZCBZOHUFRW-UHFFFAOYSA-N 1 2 454.648 3.172 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3CCN(C)C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001304701470 1067772693 /nfs/dbraw/zinc/77/26/93/1067772693.db2.gz FZLUKYXFPPNCCO-UHFFFAOYSA-N 1 2 472.638 3.159 20 0 JGADLO Cc1nc(N2CCN(c3nnc([C@@H](C)Oc4ccccc4F)n3C[C@](C)(O)C(C)C)CC2)cc[nH+]1 ZINC001304702607 1067774621 /nfs/dbraw/zinc/77/46/21/1067774621.db2.gz VSANSJUWXIHIKY-CJAUYULYSA-N 1 2 483.592 3.389 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CC(C)(C)O)c1C ZINC001304702636 1067774677 /nfs/dbraw/zinc/77/46/77/1067774677.db2.gz WXFWPNVWLVQRPG-IBGZPJMESA-N 1 2 465.602 3.231 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@](C)(O)c3ccc(F)cc3)CC2)cc[nH+]1 ZINC001304702817 1067774977 /nfs/dbraw/zinc/77/49/77/1067774977.db2.gz ZSVGNTLPZMIFGN-RUZDIDTESA-N 1 2 467.593 3.339 20 0 JGADLO Cc1nc(N2CCN(c3nnc(Cc4c(F)cccc4F)n3CC(F)(F)F)CC2)cc[nH+]1 ZINC001304702645 1067775046 /nfs/dbraw/zinc/77/50/46/1067775046.db2.gz XEWATGNSYXUCGQ-UHFFFAOYSA-N 1 2 453.419 3.134 20 0 JGADLO Cc1nccnc1N1CCN(c2nnc(CC(C)C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001304712689 1067784050 /nfs/dbraw/zinc/78/40/50/1067784050.db2.gz KMIKTLFYDOSVIE-NRFANRHFSA-N 1 2 484.599 3.483 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001304741571 1067817913 /nfs/dbraw/zinc/81/79/13/1067817913.db2.gz JYLIUABXCFXVAR-NRFANRHFSA-N 1 2 481.555 3.147 20 0 JGADLO O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001303305356 1067833935 /nfs/dbraw/zinc/83/39/35/1067833935.db2.gz XJIXLTYRFVXRHI-HXUWFJFHSA-N 1 2 451.951 3.050 20 0 JGADLO COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c1 ZINC001303306764 1067835308 /nfs/dbraw/zinc/83/53/08/1067835308.db2.gz RMSGKWBDQNFVKR-VXKWHMMOSA-N 1 2 457.546 3.443 20 0 JGADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc(I)nn2C)CC1 ZINC001303313775 1067842849 /nfs/dbraw/zinc/84/28/49/1067842849.db2.gz QLGUWTRYJVCAAZ-OAHLLOKOSA-N 1 2 456.303 3.073 20 0 JGADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2nc(N(C)C)ncc2Br)CC1 ZINC001303314930 1067843129 /nfs/dbraw/zinc/84/31/29/1067843129.db2.gz ZEVNGBWHNDBYQQ-KRWDZBQOSA-N 1 2 450.356 3.353 20 0 JGADLO CC(C)[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001303317226 1067845940 /nfs/dbraw/zinc/84/59/40/1067845940.db2.gz KCJNONQCXDQQSE-UHFFFAOYSA-N 1 2 480.078 3.410 20 0 JGADLO CC(C)[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCCS(C)(=O)=O)CC1 ZINC001303317561 1067846413 /nfs/dbraw/zinc/84/64/13/1067846413.db2.gz ZRPKLVZGMRMCOU-UHFFFAOYSA-N 1 2 477.675 3.120 20 0 JGADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCC[C@@H]3CCCCO3)CC2)C1 ZINC001303317716 1067846906 /nfs/dbraw/zinc/84/69/06/1067846906.db2.gz BNNLGKVMSFFNNR-GOTSBHOMSA-N 1 2 476.710 3.156 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001303324068 1067852908 /nfs/dbraw/zinc/85/29/08/1067852908.db2.gz LANGUPSTUFKERK-WIYYLYMNSA-N 1 2 460.598 3.110 20 0 JGADLO CC(C)NC(=O)c1nnc(N(Cc2cccc(F)c2)C(C)C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303343000 1067871113 /nfs/dbraw/zinc/87/11/13/1067871113.db2.gz CPYLMKGWSWAVIS-UHFFFAOYSA-N 1 2 460.598 3.081 20 0 JGADLO CC(C)NC(=O)c1nnc(N(Cc2cccc(F)c2)C(C)C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303343000 1067871118 /nfs/dbraw/zinc/87/11/18/1067871118.db2.gz CPYLMKGWSWAVIS-UHFFFAOYSA-N 1 2 460.598 3.081 20 0 JGADLO CC(C)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303352922 1067880082 /nfs/dbraw/zinc/88/00/82/1067880082.db2.gz LZXGIZBLSTXRNI-UHFFFAOYSA-N 1 2 484.402 3.208 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1CCCNc1cccc[nH+]1 ZINC001303374011 1067905447 /nfs/dbraw/zinc/90/54/47/1067905447.db2.gz QDXABFITNBJOHV-VWLOTQADSA-N 1 2 498.031 3.151 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@H](c1cccnc1)C(C)C ZINC001303379424 1067908942 /nfs/dbraw/zinc/90/89/42/1067908942.db2.gz PJFBEKNJLDWHEJ-QFIPXVFZSA-N 1 2 476.629 3.275 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001303389418 1067918292 /nfs/dbraw/zinc/91/82/92/1067918292.db2.gz OBXIRSFJWRATTN-HSZRJFAPSA-N 1 2 498.672 3.081 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(C4CCCC4)n3CCCN(C)CC(F)(F)F)CC2)on1 ZINC001304900956 1067944582 /nfs/dbraw/zinc/94/45/82/1067944582.db2.gz WEYQXAOESFVFPV-UHFFFAOYSA-N 1 2 469.556 3.439 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCCCCCO)CC2)on1 ZINC001304900949 1067944638 /nfs/dbraw/zinc/94/46/38/1067944638.db2.gz VXIWVTDNJMWZEW-UHFFFAOYSA-N 1 2 492.422 3.207 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4ccc(C)o4)n3CCCOCC(F)F)CC2)on1 ZINC001304900994 1067944655 /nfs/dbraw/zinc/94/46/55/1067944655.db2.gz XZDCZHJGCKBPCE-UHFFFAOYSA-N 1 2 450.490 3.137 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001303421590 1067947308 /nfs/dbraw/zinc/94/73/08/1067947308.db2.gz VJJCDWRCVHEKID-QZTJIDSGSA-N 1 2 457.648 3.180 20 0 JGADLO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Br)c2)n1CCCNc1cccc[nH+]1 ZINC001304903484 1067948075 /nfs/dbraw/zinc/94/80/75/1067948075.db2.gz PTNTULZTQSHSOV-INIZCTEOSA-N 1 2 484.402 3.272 20 0 JGADLO CC(C)NC(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001303422788 1067948354 /nfs/dbraw/zinc/94/83/54/1067948354.db2.gz GFLKILNGUWTWCI-IBGZPJMESA-N 1 2 481.576 3.194 20 0 JGADLO CC(C)NC(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001303430887 1067955613 /nfs/dbraw/zinc/95/56/13/1067955613.db2.gz PSEDXCZDROTPDX-UHFFFAOYSA-N 1 2 461.614 3.090 20 0 JGADLO CC(C)NC(=O)CN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303435382 1067958579 /nfs/dbraw/zinc/95/85/79/1067958579.db2.gz QAIQRGCKTPCJRY-SFHVURJKSA-N 1 2 493.052 3.143 20 0 JGADLO CC(C)NC(=O)CN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303438187 1067962096 /nfs/dbraw/zinc/96/20/96/1067962096.db2.gz RZUCOOKZXYPSSG-UHFFFAOYSA-N 1 2 474.569 3.070 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H](C)c2ccc(F)cc2)CCOC1 ZINC001303487634 1068010628 /nfs/dbraw/zinc/01/06/28/1068010628.db2.gz PCYZMLMWLPECNC-CPJSRVTESA-N 1 2 475.609 3.030 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCCNc2cccc[nH+]2)CCOC1 ZINC001303488613 1068012210 /nfs/dbraw/zinc/01/22/10/1068012210.db2.gz FLMQZQNYCGKHAR-CYFREDJKSA-N 1 2 458.607 3.220 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001303502626 1068033043 /nfs/dbraw/zinc/03/30/43/1068033043.db2.gz OLRXIGQWLMXLPF-RLWLMLJZSA-N 1 2 493.693 3.213 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001303502626 1068033057 /nfs/dbraw/zinc/03/30/57/1068033057.db2.gz OLRXIGQWLMXLPF-RLWLMLJZSA-N 1 2 493.693 3.213 20 0 JGADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(F)(F)F)CC1 ZINC001305017494 1068061824 /nfs/dbraw/zinc/06/18/24/1068061824.db2.gz PHCKPTBGZCPZMJ-OAHLLOKOSA-N 1 2 485.942 3.079 20 0 JGADLO CC(C)SCCn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001303577166 1068101842 /nfs/dbraw/zinc/10/18/42/1068101842.db2.gz YMASLJRBUSJWIC-NRFANRHFSA-N 1 2 490.693 3.457 20 0 JGADLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCCCCCO)CC1 ZINC001303597644 1068122259 /nfs/dbraw/zinc/12/22/59/1068122259.db2.gz XGOBUUOAFKOGIQ-GOSISDBHSA-N 1 2 471.556 3.449 20 0 JGADLO C[C@H]([C@H](C)N(C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1)S(C)(=O)=O ZINC001305064255 1068135002 /nfs/dbraw/zinc/13/50/02/1068135002.db2.gz AMGJUHJQUMMZRF-VQTJNVASSA-N 1 2 497.669 3.278 20 0 JGADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305065229 1068136896 /nfs/dbraw/zinc/13/68/96/1068136896.db2.gz GXYRIXZXRWVZFQ-FQEVSTJZSA-N 1 2 482.654 3.494 20 0 JGADLO CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNc2cccc[nH+]2)CC1 ZINC001305080187 1068153052 /nfs/dbraw/zinc/15/30/52/1068153052.db2.gz NIXQBMXQJSBBBH-UHFFFAOYSA-N 1 2 454.600 3.482 20 0 JGADLO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1cn2ccccc2[nH+]1 ZINC001303644099 1068172018 /nfs/dbraw/zinc/17/20/18/1068172018.db2.gz DDMSSGQKDRAXBU-HNNXBMFYSA-N 1 2 469.496 3.137 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001305109528 1068179573 /nfs/dbraw/zinc/17/95/73/1068179573.db2.gz RASZMXLVFQMLRL-XNTOXWQXSA-N 1 2 476.666 3.252 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001305109528 1068179579 /nfs/dbraw/zinc/17/95/79/1068179579.db2.gz RASZMXLVFQMLRL-XNTOXWQXSA-N 1 2 476.666 3.252 20 0 JGADLO C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)[C@H]1C ZINC001305113773 1068190537 /nfs/dbraw/zinc/19/05/37/1068190537.db2.gz PWBYHEPDMOLYJL-NMLBUPMWSA-N 1 2 489.686 3.471 20 0 JGADLO C[C@H]1CN(c2ccc(Cn3c(-c4ccccn4)nnc3N(C)CCOC(C)(C)C)c[nH+]2)CCO1 ZINC001305120542 1068202059 /nfs/dbraw/zinc/20/20/59/1068202059.db2.gz FAZALRAFHVINRL-IBGZPJMESA-N 1 2 465.602 3.260 20 0 JGADLO C[C@@H]1CN(c2ccc(Cn3c(-c4ccccn4)nnc3N(C)CCOC(C)(C)C)c[nH+]2)CCO1 ZINC001305120543 1068202112 /nfs/dbraw/zinc/20/21/12/1068202112.db2.gz FAZALRAFHVINRL-LJQANCHMSA-N 1 2 465.602 3.260 20 0 JGADLO C[C@@H]1CN(c2ccc(Cn3c(N(C)CCc4nccs4)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001305122834 1068206824 /nfs/dbraw/zinc/20/68/24/1068206824.db2.gz QSWPEXNZTMUFHJ-QGZVFWFLSA-N 1 2 455.632 3.379 20 0 JGADLO CC(C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305123409 1068207735 /nfs/dbraw/zinc/20/77/35/1068207735.db2.gz VVVFRXWVWWLFEY-INIZCTEOSA-N 1 2 458.998 3.093 20 0 JGADLO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305126335 1068213043 /nfs/dbraw/zinc/21/30/43/1068213043.db2.gz CJDYMSDEYUOFPL-QUCCMNQESA-N 1 2 499.660 3.205 20 0 JGADLO C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001305135926 1068225202 /nfs/dbraw/zinc/22/52/02/1068225202.db2.gz VQLMESMEYSSAPX-HNNXBMFYSA-N 1 2 457.376 3.442 20 0 JGADLO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC001305139524 1068232920 /nfs/dbraw/zinc/23/29/20/1068232920.db2.gz RGBKVFWGNVPBRN-MKXGPGLRSA-N 1 2 464.010 3.406 20 0 JGADLO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1csc(Br)c1)[NH+]1CCOCC1 ZINC001303717956 1068266327 /nfs/dbraw/zinc/26/63/27/1068266327.db2.gz NIJZSOZZMYXKNS-DOTOQJQBSA-N 1 2 484.464 3.353 20 0 JGADLO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1csc(Br)c1)[NH+]1CCOCC1 ZINC001303717958 1068266418 /nfs/dbraw/zinc/26/64/18/1068266418.db2.gz NIJZSOZZMYXKNS-NVXWUHKLSA-N 1 2 484.464 3.353 20 0 JGADLO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCC1(C)C)[NH+]1CCOCC1 ZINC001303718618 1068267465 /nfs/dbraw/zinc/26/74/65/1068267465.db2.gz QQGLCFYTZDIYIU-UXHICEINSA-N 1 2 476.666 3.492 20 0 JGADLO C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(Br)s1)[NH+]1CCOCC1 ZINC001303726788 1068279940 /nfs/dbraw/zinc/27/99/40/1068279940.db2.gz AGFLSMFKKBGMMT-INIZCTEOSA-N 1 2 491.459 3.445 20 0 JGADLO C[C@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCOCC1 ZINC001303729547 1068284926 /nfs/dbraw/zinc/28/49/26/1068284926.db2.gz VPBYZBQLUWZQTA-MRXNPFEDSA-N 1 2 460.504 3.038 20 0 JGADLO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303734152 1068290040 /nfs/dbraw/zinc/29/00/40/1068290040.db2.gz CNPPHJVHVZQXJU-FYYLOGMGSA-N 1 2 455.647 3.425 20 0 JGADLO C[C@@H](Cn1c(CC2CCCC2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC001303734858 1068291305 /nfs/dbraw/zinc/29/13/05/1068291305.db2.gz QDNKIQNHGRJGGK-VXKWHMMOSA-N 1 2 482.673 3.387 20 0 JGADLO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303735786 1068293453 /nfs/dbraw/zinc/29/34/53/1068293453.db2.gz DPXBRYVYZUOENB-NQIIRXRSSA-N 1 2 478.037 3.483 20 0 JGADLO CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)N3CCC(Nc4cccc[nH+]4)CC3)CCC2)C1 ZINC001303749139 1068309795 /nfs/dbraw/zinc/30/97/95/1068309795.db2.gz KJWCJACQTNCOBP-VWLOTQADSA-N 1 2 458.603 3.417 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)C1 ZINC001305211140 1068340786 /nfs/dbraw/zinc/34/07/86/1068340786.db2.gz DQISYRBBZRSYEU-SJORKVTESA-N 1 2 452.024 3.173 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C)C1 ZINC001305211140 1068340801 /nfs/dbraw/zinc/34/08/01/1068340801.db2.gz DQISYRBBZRSYEU-SJORKVTESA-N 1 2 452.024 3.173 20 0 JGADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001303778928 1068356154 /nfs/dbraw/zinc/35/61/54/1068356154.db2.gz NIBQMHSQVICXOU-JXFKEZNVSA-N 1 2 451.612 3.247 20 0 JGADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001303778931 1068356274 /nfs/dbraw/zinc/35/62/74/1068356274.db2.gz NIBQMHSQVICXOU-UZLBHIALSA-N 1 2 451.612 3.247 20 0 JGADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC001303791380 1068375112 /nfs/dbraw/zinc/37/51/12/1068375112.db2.gz XOJSZINMRHVFLU-OAHLLOKOSA-N 1 2 450.333 3.135 20 0 JGADLO C[C@H](Cn1c(C2CCC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001303794745 1068381042 /nfs/dbraw/zinc/38/10/42/1068381042.db2.gz BHSSMAPOVLCREM-MOPGFXCFSA-N 1 2 476.666 3.396 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001305234230 1068382080 /nfs/dbraw/zinc/38/20/80/1068382080.db2.gz MNJSXHOKQRRITF-WBVHZDCISA-N 1 2 471.499 3.297 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001305234230 1068382097 /nfs/dbraw/zinc/38/20/97/1068382097.db2.gz MNJSXHOKQRRITF-WBVHZDCISA-N 1 2 471.499 3.297 20 0 JGADLO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001303797630 1068388037 /nfs/dbraw/zinc/38/80/37/1068388037.db2.gz MTVDQXPCTKHPLH-ZWKOTPCHSA-N 1 2 462.639 3.006 20 0 JGADLO CCC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1 ZINC001305265325 1068445478 /nfs/dbraw/zinc/44/54/78/1068445478.db2.gz MAZIPMJDCIFOOW-XZOQPEGZSA-N 1 2 482.673 3.453 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001303828823 1068450344 /nfs/dbraw/zinc/45/03/44/1068450344.db2.gz OWTPMMYLXHONMC-WMZOPIPTSA-N 1 2 489.621 3.134 20 0 JGADLO CC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001305301132 1068509938 /nfs/dbraw/zinc/50/99/38/1068509938.db2.gz OREQFUFNDJBOEW-QHCPKHFHSA-N 1 2 476.528 3.326 20 0 JGADLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cc2sc(-c3cccs3)nc2-c2ccccc2)CC1 ZINC001303883664 1068522432 /nfs/dbraw/zinc/52/24/32/1068522432.db2.gz BZGVKBKVPKSCOS-UHFFFAOYSA-N 1 2 454.621 3.361 20 0 JGADLO CNC(=O)C[N@H+]1CCCN(C(=O)Cc2sc(-c3cccs3)nc2-c2ccccc2)CC1 ZINC001303883664 1068522440 /nfs/dbraw/zinc/52/24/40/1068522440.db2.gz BZGVKBKVPKSCOS-UHFFFAOYSA-N 1 2 454.621 3.361 20 0 JGADLO C[C@H]([C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@H+]1CC=CCC1)S(C)(=O)=O ZINC001303887762 1068525929 /nfs/dbraw/zinc/52/59/29/1068525929.db2.gz MGDUPOHGWDDYFR-GBESFXJTSA-N 1 2 479.622 3.077 20 0 JGADLO C[C@H]([C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@@H+]1CC=CCC1)S(C)(=O)=O ZINC001303887762 1068525939 /nfs/dbraw/zinc/52/59/39/1068525939.db2.gz MGDUPOHGWDDYFR-GBESFXJTSA-N 1 2 479.622 3.077 20 0 JGADLO CC[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001305314372 1068527900 /nfs/dbraw/zinc/52/79/00/1068527900.db2.gz VZIFWGNGAQENIW-HSZRJFAPSA-N 1 2 474.606 3.244 20 0 JGADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001303907090 1068553650 /nfs/dbraw/zinc/55/36/50/1068553650.db2.gz QLOYNIZEEZNTFR-APWZRJJASA-N 1 2 485.963 3.264 20 0 JGADLO C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC1CCOCC1)[NH+]1CCOCC1 ZINC001303921062 1068572346 /nfs/dbraw/zinc/57/23/46/1068572346.db2.gz COPIJLXMADHIPS-RTBURBONSA-N 1 2 461.582 3.141 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCOC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303923853 1068578135 /nfs/dbraw/zinc/57/81/35/1068578135.db2.gz QWESIOGTKWZKBG-OALUTQOASA-N 1 2 461.582 3.141 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCOC2)n1CC[N@H+]1CCOCC1(C)C ZINC001303923853 1068578139 /nfs/dbraw/zinc/57/81/39/1068578139.db2.gz QWESIOGTKWZKBG-OALUTQOASA-N 1 2 461.582 3.141 20 0 JGADLO CC[C@H](C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1)OC ZINC001305351322 1068595368 /nfs/dbraw/zinc/59/53/68/1068595368.db2.gz IYVHVUPZOMAJNM-SSPYTLHUSA-N 1 2 469.678 3.314 20 0 JGADLO CC[C@H](C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001305371589 1068625799 /nfs/dbraw/zinc/62/57/99/1068625799.db2.gz WXYQKTCHBSYDDP-IPMKNSEASA-N 1 2 451.637 3.481 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305372492 1068626823 /nfs/dbraw/zinc/62/68/23/1068626823.db2.gz WPQXRTVBUGYGEB-MOPGFXCFSA-N 1 2 464.655 3.348 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305372492 1068626829 /nfs/dbraw/zinc/62/68/29/1068626829.db2.gz WPQXRTVBUGYGEB-MOPGFXCFSA-N 1 2 464.655 3.348 20 0 JGADLO CC[C@H](C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CC1(C(N)=O)CCCC1 ZINC001305377629 1068630968 /nfs/dbraw/zinc/63/09/68/1068630968.db2.gz RSXKXRQIVNMCDS-OALUTQOASA-N 1 2 474.675 3.409 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CC1(C(N)=O)CCCC1 ZINC001305377631 1068631111 /nfs/dbraw/zinc/63/11/11/1068631111.db2.gz RSXKXRQIVNMCDS-RTBURBONSA-N 1 2 474.675 3.409 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2cnn(CC)c2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305390325 1068635548 /nfs/dbraw/zinc/63/55/48/1068635548.db2.gz UUJRKPCGUQZDAI-IEBWSBKVSA-N 1 2 452.611 3.145 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2cnn(CC)c2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305390325 1068635555 /nfs/dbraw/zinc/63/55/55/1068635555.db2.gz UUJRKPCGUQZDAI-IEBWSBKVSA-N 1 2 452.611 3.145 20 0 JGADLO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305414708 1068653245 /nfs/dbraw/zinc/65/32/45/1068653245.db2.gz RHHGONFEEPQQSL-QKNQBKEWSA-N 1 2 499.660 3.421 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001305426527 1068663521 /nfs/dbraw/zinc/66/35/21/1068663521.db2.gz PFAAKSKQPAYVQJ-SJLPKXTDSA-N 1 2 479.551 3.340 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001305426526 1068663551 /nfs/dbraw/zinc/66/35/51/1068663551.db2.gz PFAAKSKQPAYVQJ-FUHWJXTLSA-N 1 2 479.551 3.340 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305435217 1068671286 /nfs/dbraw/zinc/67/12/86/1068671286.db2.gz XJQOTRLMPDEUCJ-HAGHYFMRSA-N 1 2 464.655 3.252 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305435217 1068671293 /nfs/dbraw/zinc/67/12/93/1068671293.db2.gz XJQOTRLMPDEUCJ-HAGHYFMRSA-N 1 2 464.655 3.252 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001305449963 1068684919 /nfs/dbraw/zinc/68/49/19/1068684919.db2.gz PAQWVKASCROHKL-FPOVZHCZSA-N 1 2 499.660 3.423 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001305453218 1068690223 /nfs/dbraw/zinc/69/02/23/1068690223.db2.gz OUWYFLFETJGEFJ-HKUYNNGSSA-N 1 2 477.679 3.124 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305460520 1068703262 /nfs/dbraw/zinc/70/32/62/1068703262.db2.gz RRPCDDWIKXAAQJ-ROUUACIJSA-N 1 2 463.573 3.279 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001305461467 1068704540 /nfs/dbraw/zinc/70/45/40/1068704540.db2.gz XUFNHYIZDVJSHU-KNBMTAEXSA-N 1 2 475.588 3.413 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305478687 1068717382 /nfs/dbraw/zinc/71/73/82/1068717382.db2.gz KBRPAPZHUQKTIF-PMVMPFDFSA-N 1 2 468.646 3.136 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305487876 1068725527 /nfs/dbraw/zinc/72/55/27/1068725527.db2.gz OOWIFPNLNFGFPV-FPOVZHCZSA-N 1 2 489.690 3.085 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001305494003 1068731791 /nfs/dbraw/zinc/73/17/91/1068731791.db2.gz XYQWIRSGSIEBPY-SQGPQFPESA-N 1 2 498.644 3.138 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001305500630 1068735419 /nfs/dbraw/zinc/73/54/19/1068735419.db2.gz QUTBLIIOQFPDPT-WIYYLYMNSA-N 1 2 465.639 3.466 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305500630 1068735428 /nfs/dbraw/zinc/73/54/28/1068735428.db2.gz QUTBLIIOQFPDPT-WIYYLYMNSA-N 1 2 465.639 3.466 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305505462 1068740895 /nfs/dbraw/zinc/74/08/95/1068740895.db2.gz YQWZYBUXTSRHGI-NRFANRHFSA-N 1 2 499.660 3.376 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001305516614 1068764455 /nfs/dbraw/zinc/76/44/55/1068764455.db2.gz QUGMPGNURUIJNM-GGAORHGYSA-N 1 2 497.688 3.323 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001305516614 1068764468 /nfs/dbraw/zinc/76/44/68/1068764468.db2.gz QUGMPGNURUIJNM-GGAORHGYSA-N 1 2 497.688 3.323 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCc1cc(C)ccc1OC ZINC001305518520 1068768055 /nfs/dbraw/zinc/76/80/55/1068768055.db2.gz KBXPBIQSLGUDSM-YADHBBJMSA-N 1 2 482.673 3.484 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001305519065 1068769241 /nfs/dbraw/zinc/76/92/41/1068769241.db2.gz PDVBXOZYHLKJNQ-MSOLQXFVSA-N 1 2 493.578 3.387 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001305520372 1068772376 /nfs/dbraw/zinc/77/23/76/1068772376.db2.gz WTFMHSHHYCULHJ-OALUTQOASA-N 1 2 472.609 3.121 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCCC(=O)NC1CC1 ZINC001305529101 1068783716 /nfs/dbraw/zinc/78/37/16/1068783716.db2.gz PRXNZESNDKRKQA-GOSISDBHSA-N 1 2 468.650 3.399 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001305531058 1068787100 /nfs/dbraw/zinc/78/71/00/1068787100.db2.gz CRMLTENVPUNDRC-ROUUACIJSA-N 1 2 472.638 3.472 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1Cc1ccc(OC)c(OC)c1 ZINC001305536697 1068799562 /nfs/dbraw/zinc/79/95/62/1068799562.db2.gz GJFNTOYRQDEHDA-KRWDZBQOSA-N 1 2 454.575 3.476 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1C[C@@]1(O)CCSC1 ZINC001305539685 1068807850 /nfs/dbraw/zinc/80/78/50/1068807850.db2.gz GIFXUVXQEUHQBM-HXOBKFHXSA-N 1 2 463.623 3.130 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001305539983 1068808456 /nfs/dbraw/zinc/80/84/56/1068808456.db2.gz HAGNQUXXBAATGI-GOSISDBHSA-N 1 2 482.604 3.317 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001305540430 1068809599 /nfs/dbraw/zinc/80/95/99/1068809599.db2.gz UVFPVYRIYCEAQB-WIYYLYMNSA-N 1 2 495.093 3.191 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001305541173 1068811934 /nfs/dbraw/zinc/81/19/34/1068811934.db2.gz MRHQHOSSXYCBAV-SFHVURJKSA-N 1 2 497.669 3.404 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H](OC)c1ccccc1 ZINC001305542538 1068814959 /nfs/dbraw/zinc/81/49/59/1068814959.db2.gz CZQWCFBQCAJDIB-ZKMPZPQNSA-N 1 2 484.689 3.411 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@H](OC)c1ccccc1 ZINC001305542536 1068815124 /nfs/dbraw/zinc/81/51/24/1068815124.db2.gz CZQWCFBQCAJDIB-HVCNVCAESA-N 1 2 484.689 3.411 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@@H]1CCCCS1(=O)=O ZINC001305542888 1068816395 /nfs/dbraw/zinc/81/63/95/1068816395.db2.gz GOXDBOURLKMGLQ-UNMCSNQZSA-N 1 2 459.660 3.124 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1csc(C)c1 ZINC001305544385 1068821158 /nfs/dbraw/zinc/82/11/58/1068821158.db2.gz PLHCQPWIAKFTRS-DENIHFKCSA-N 1 2 460.692 3.441 20 0 JGADLO CC[C@H](C)CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001305576953 1068849202 /nfs/dbraw/zinc/84/92/02/1068849202.db2.gz LRDAHQNOEDAQGV-FQEVSTJZSA-N 1 2 477.613 3.288 20 0 JGADLO CC[C@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001305584856 1068854699 /nfs/dbraw/zinc/85/46/99/1068854699.db2.gz JSNZPKPIGNYHAA-NYVOZVTQSA-N 1 2 454.619 3.093 20 0 JGADLO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001305639041 1068953368 /nfs/dbraw/zinc/95/33/68/1068953368.db2.gz RCHRBJAFKBTFOH-AZUAARDMSA-N 1 2 475.037 3.062 20 0 JGADLO CC[C@@H](C)NC(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305642228 1068962027 /nfs/dbraw/zinc/96/20/27/1068962027.db2.gz PYTIXVZYCTWDQV-OAQYLSRUSA-N 1 2 477.613 3.192 20 0 JGADLO CC[C@@H](c1nnc(N(C)Cc2ccco2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305652839 1068991598 /nfs/dbraw/zinc/99/15/98/1068991598.db2.gz LQFLEGADKKUANU-HSZRJFAPSA-N 1 2 450.587 3.214 20 0 JGADLO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C)c1ccccc1 ZINC001305657004 1068995827 /nfs/dbraw/zinc/99/58/27/1068995827.db2.gz QZJYRUFHXRLGJB-ZSAXZHEQSA-N 1 2 482.673 3.424 20 0 JGADLO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C)c1ccccc1 ZINC001305657004 1068995836 /nfs/dbraw/zinc/99/58/36/1068995836.db2.gz QZJYRUFHXRLGJB-ZSAXZHEQSA-N 1 2 482.673 3.424 20 0 JGADLO CC[C@@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305683237 1069042398 /nfs/dbraw/zinc/04/23/98/1069042398.db2.gz VCRNXHPWOSSSLW-RPWUZVMVSA-N 1 2 482.673 3.235 20 0 JGADLO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1)OC ZINC001305690501 1069057060 /nfs/dbraw/zinc/05/70/60/1069057060.db2.gz JKFLBWVRGZUSQY-FQEVSTJZSA-N 1 2 471.650 3.001 20 0 JGADLO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)SC ZINC001305691035 1069057694 /nfs/dbraw/zinc/05/76/94/1069057694.db2.gz RGTNLYUDDYCOOW-OAQYLSRUSA-N 1 2 489.734 3.426 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305738793 1069162884 /nfs/dbraw/zinc/16/28/84/1069162884.db2.gz MCXKIKZBKDYERP-WOIUINJBSA-N 1 2 483.661 3.490 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001305738963 1069165060 /nfs/dbraw/zinc/16/50/60/1069165060.db2.gz DBJRVJLQFFLLOD-UNVFRBQDSA-N 1 2 484.645 3.305 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305740111 1069169873 /nfs/dbraw/zinc/16/98/73/1069169873.db2.gz GVNIRMWQEPCOKD-PZJWPPBQSA-N 1 2 460.667 3.466 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3O[C@H](C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305745276 1069185558 /nfs/dbraw/zinc/18/55/58/1069185558.db2.gz VBVSSSJKWBGFCX-GOSISDBHSA-N 1 2 477.613 3.493 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001305745518 1069186177 /nfs/dbraw/zinc/18/61/77/1069186177.db2.gz UACTZTCNGCWIOG-FQEVSTJZSA-N 1 2 498.672 3.081 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C(C)(C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001305746819 1069189804 /nfs/dbraw/zinc/18/98/04/1069189804.db2.gz BEFOOADEOUKOQO-IBGZPJMESA-N 1 2 483.661 3.349 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305747466 1069191060 /nfs/dbraw/zinc/19/10/60/1069191060.db2.gz HNTAHYGYXCTCBZ-UFYCRDLUSA-N 1 2 483.661 3.347 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CCc1c(C)cccc1C ZINC001305756883 1069212301 /nfs/dbraw/zinc/21/23/01/1069212301.db2.gz LHZWRBDEVDPAIB-XMMPIXPASA-N 1 2 495.716 3.272 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1Cc1c[nH+]ccc1OC ZINC001305775861 1069258764 /nfs/dbraw/zinc/25/87/64/1069258764.db2.gz SPQTVRFJOVKREP-UHFFFAOYSA-N 1 2 456.591 3.045 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC1CCC(OC)CC1 ZINC001305784792 1069282402 /nfs/dbraw/zinc/28/24/02/1069282402.db2.gz VWSNICKTPGYPEZ-UHFFFAOYSA-N 1 2 469.634 3.123 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1cnn(CC(C)C)c1C ZINC001305784843 1069282868 /nfs/dbraw/zinc/28/28/68/1069282868.db2.gz YADHWAXGRYWBAD-UHFFFAOYSA-N 1 2 493.660 3.127 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC1CC1 ZINC001305784858 1069283004 /nfs/dbraw/zinc/28/30/04/1069283004.db2.gz YQPLXSMORAKGPX-UHFFFAOYSA-N 1 2 454.623 3.155 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@H]1CCSC1 ZINC001305788525 1069297290 /nfs/dbraw/zinc/29/72/90/1069297290.db2.gz WONZRLNHYORSQI-LJQANCHMSA-N 1 2 474.650 3.411 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(CC)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001305791711 1069304419 /nfs/dbraw/zinc/30/44/19/1069304419.db2.gz OXSVZCBEFOFCLX-VWLOTQADSA-N 1 2 469.634 3.245 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1Cc1c[nH+]ccc1OC ZINC001305791781 1069304550 /nfs/dbraw/zinc/30/45/50/1069304550.db2.gz PRTGPAQFNZOXJC-AREMUKBSSA-N 1 2 478.597 3.400 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305791985 1069305191 /nfs/dbraw/zinc/30/51/91/1069305191.db2.gz QULKDMCGUZDOAE-LVXARBLLSA-N 1 2 492.709 3.195 20 0 JGADLO O=C(c1cccnc1N1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164401735 718857736 /nfs/dbraw/zinc/85/77/36/718857736.db2.gz HTBNZNSSEKIRBL-RPWUZVMVSA-N 1 2 467.573 3.212 20 0 JGADLO CN1CCc2nc(Cl)nc(N3CCO[C@@H](c4[nH+]cn5c4cccc5Br)C3)c2C1 ZINC001164419098 718890966 /nfs/dbraw/zinc/89/09/66/718890966.db2.gz PSAPZODTJZHTRY-OAHLLOKOSA-N 1 2 463.767 3.106 20 0 JGADLO COCCN1CC[N@H+](C)C2(CCN(c3c(Cl)nc(Cl)c(Cl)c3Cl)CC2)C1=O ZINC001164635657 719271620 /nfs/dbraw/zinc/27/16/20/719271620.db2.gz STHKRMMFOXERAY-UHFFFAOYSA-N 1 2 456.201 3.455 20 0 JGADLO COCCN1CC[N@@H+](C)C2(CCN(c3c(Cl)nc(Cl)c(Cl)c3Cl)CC2)C1=O ZINC001164635657 719271624 /nfs/dbraw/zinc/27/16/24/719271624.db2.gz STHKRMMFOXERAY-UHFFFAOYSA-N 1 2 456.201 3.455 20 0 JGADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)nc(-c4ccc(F)c(Cl)c4)n3)CC2)C1=O ZINC001164644727 719283829 /nfs/dbraw/zinc/28/38/29/719283829.db2.gz SLZQFQSHYPWSHF-UHFFFAOYSA-N 1 2 482.387 3.349 20 0 JGADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)nc(-c4ccc(F)c(Cl)c4)n3)CC2)C1=O ZINC001164644727 719283834 /nfs/dbraw/zinc/28/38/34/719283834.db2.gz SLZQFQSHYPWSHF-UHFFFAOYSA-N 1 2 482.387 3.349 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)CC2 ZINC001164659868 719353850 /nfs/dbraw/zinc/35/38/50/719353850.db2.gz SIOHKOGYRKDTGB-UHFFFAOYSA-N 1 2 494.665 3.463 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)CC2 ZINC001164659868 719353853 /nfs/dbraw/zinc/35/38/53/719353853.db2.gz SIOHKOGYRKDTGB-UHFFFAOYSA-N 1 2 494.665 3.463 20 0 JGADLO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)[nH]1 ZINC001164672787 719514242 /nfs/dbraw/zinc/51/42/42/719514242.db2.gz NWRAVBLFHVJLFF-UHFFFAOYSA-N 1 2 473.936 3.408 20 0 JGADLO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)[nH]1 ZINC001164672787 719514252 /nfs/dbraw/zinc/51/42/52/719514252.db2.gz NWRAVBLFHVJLFF-UHFFFAOYSA-N 1 2 473.936 3.408 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC001164704066 719852242 /nfs/dbraw/zinc/85/22/42/719852242.db2.gz QTQUJWZENAZHLR-CUNXSJBXSA-N 1 2 473.577 3.438 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)Nc2ccc(Cl)nc2)ccc1F ZINC001164701425 719854641 /nfs/dbraw/zinc/85/46/41/719854641.db2.gz KMUQVTAKMARRPW-KOSHJBKYSA-N 1 2 490.963 3.359 20 0 JGADLO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nc2C)cc1 ZINC001164699923 719865998 /nfs/dbraw/zinc/86/59/98/719865998.db2.gz CWONFYPSHULMMI-QFQXNSOFSA-N 1 2 467.566 3.076 20 0 JGADLO COC(=O)c1ccc(-c2ccc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nc2C)cc1 ZINC001164699914 719866088 /nfs/dbraw/zinc/86/60/88/719866088.db2.gz CWONFYPSHULMMI-HFZDXXHNSA-N 1 2 467.566 3.076 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(-c3cccs3)no2)ccn1 ZINC001164699979 719873942 /nfs/dbraw/zinc/87/39/42/719873942.db2.gz DEQIDDFTOCYWAZ-HXOBKFHXSA-N 1 2 469.567 3.093 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(C)cc1 ZINC001164704240 719878138 /nfs/dbraw/zinc/87/81/38/719878138.db2.gz UPHJLIYILPDONV-HXOBKFHXSA-N 1 2 460.962 3.463 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3scc(-c4ccc(F)cc4)c31)CC2 ZINC001164708511 719922654 /nfs/dbraw/zinc/92/26/54/719922654.db2.gz KHCVNLPPPOLLTL-UHFFFAOYSA-N 1 2 491.596 3.181 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(-c3ccc(Cl)s3)nc3c1CCC3)CC2 ZINC001164708283 719931729 /nfs/dbraw/zinc/93/17/29/719931729.db2.gz HHMLLNSHEPCLGW-UHFFFAOYSA-N 1 2 498.056 3.031 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cc(Cl)nc3c1CCCCC3)CC2 ZINC001164716420 720049150 /nfs/dbraw/zinc/04/91/50/720049150.db2.gz WAOGNLHJYVJDLN-UHFFFAOYSA-N 1 2 493.002 3.233 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C2)C1 ZINC001164717530 720239192 /nfs/dbraw/zinc/23/91/92/720239192.db2.gz ALHXQRHBLVMIGN-NRFANRHFSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C2)C1 ZINC001164717530 720239203 /nfs/dbraw/zinc/23/92/03/720239203.db2.gz ALHXQRHBLVMIGN-NRFANRHFSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)c(Cc4ccc(Cl)cc4)c(C)n3)C2)C1 ZINC001164721806 720302365 /nfs/dbraw/zinc/30/23/65/720302365.db2.gz HWSAVGGHZPNJJT-RUZDIDTESA-N 1 2 472.033 3.002 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)c(Cc4ccc(Cl)cc4)c(C)n3)C2)C1 ZINC001164721806 720302372 /nfs/dbraw/zinc/30/23/72/720302372.db2.gz HWSAVGGHZPNJJT-RUZDIDTESA-N 1 2 472.033 3.002 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)c(Cc4ccc(Cl)cc4)c(C)n3)C2)C1 ZINC001164721811 720302819 /nfs/dbraw/zinc/30/28/19/720302819.db2.gz HWSAVGGHZPNJJT-VWLOTQADSA-N 1 2 472.033 3.002 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)c(Cc4ccc(Cl)cc4)c(C)n3)C2)C1 ZINC001164721811 720302823 /nfs/dbraw/zinc/30/28/23/720302823.db2.gz HWSAVGGHZPNJJT-VWLOTQADSA-N 1 2 472.033 3.002 20 0 JGADLO COC(=O)c1ccc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)nc1Cl ZINC001164721886 720312543 /nfs/dbraw/zinc/31/25/43/720312543.db2.gz IFSCEGIGUFCELC-OAHLLOKOSA-N 1 2 455.893 3.084 20 0 JGADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCc2c([nH+]cn2C(C)C)[C@H]1CNC(C)=O ZINC001164722378 720313598 /nfs/dbraw/zinc/31/35/98/720313598.db2.gz KSFTYSIPEYLLFI-MRXNPFEDSA-N 1 2 455.893 3.084 20 0 JGADLO CCOC(=O)c1ccc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)c(Cl)n1 ZINC001164721068 720316228 /nfs/dbraw/zinc/31/62/28/720316228.db2.gz DHIPBSXKCZNOQW-QGZVFWFLSA-N 1 2 469.920 3.474 20 0 JGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164722389 720317088 /nfs/dbraw/zinc/31/70/88/720317088.db2.gz KSNGIBRREOEWAP-MRXNPFEDSA-N 1 2 470.908 3.389 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C(=O)OC(C)(C)C)ccn4)CC3)C2=O)cs1 ZINC001164823263 720361828 /nfs/dbraw/zinc/36/18/28/720361828.db2.gz DABJUSHOCYLAAY-UHFFFAOYSA-N 1 2 471.627 3.115 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C(=O)OC(C)(C)C)ccn4)CC3)C2=O)cs1 ZINC001164823263 720361835 /nfs/dbraw/zinc/36/18/35/720361835.db2.gz DABJUSHOCYLAAY-UHFFFAOYSA-N 1 2 471.627 3.115 20 0 JGADLO COc1cccc2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nc21 ZINC001164824097 720362765 /nfs/dbraw/zinc/36/27/65/720362765.db2.gz JBEWKBHJGUYIAK-UHFFFAOYSA-N 1 2 451.596 3.322 20 0 JGADLO COc1cccc2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nc21 ZINC001164824097 720362772 /nfs/dbraw/zinc/36/27/72/720362772.db2.gz JBEWKBHJGUYIAK-UHFFFAOYSA-N 1 2 451.596 3.322 20 0 JGADLO COC(=O)c1ccc2c(ccnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164825487 720366994 /nfs/dbraw/zinc/36/69/94/720366994.db2.gz PPUNRIAXZWBRNA-UHFFFAOYSA-N 1 2 479.606 3.100 20 0 JGADLO COC(=O)c1ccc2c(ccnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164825487 720366997 /nfs/dbraw/zinc/36/69/97/720366997.db2.gz PPUNRIAXZWBRNA-UHFFFAOYSA-N 1 2 479.606 3.100 20 0 JGADLO CCc1cc2c(ncnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)s1 ZINC001164825567 720367616 /nfs/dbraw/zinc/36/76/16/720367616.db2.gz RDYBFKPKQLWGIJ-UHFFFAOYSA-N 1 2 456.641 3.332 20 0 JGADLO CCc1cc2c(ncnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)s1 ZINC001164825567 720367617 /nfs/dbraw/zinc/36/76/17/720367617.db2.gz RDYBFKPKQLWGIJ-UHFFFAOYSA-N 1 2 456.641 3.332 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(=O)OC(C)(C)C)cn4)CC3)C2=O)cs1 ZINC001164819706 720370113 /nfs/dbraw/zinc/37/01/13/720370113.db2.gz GORQDTPLIYMEEY-UHFFFAOYSA-N 1 2 471.627 3.115 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(=O)OC(C)(C)C)cn4)CC3)C2=O)cs1 ZINC001164819706 720370120 /nfs/dbraw/zinc/37/01/20/720370120.db2.gz GORQDTPLIYMEEY-UHFFFAOYSA-N 1 2 471.627 3.115 20 0 JGADLO Cc1csc2nc(C)nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c12 ZINC001164822866 720380651 /nfs/dbraw/zinc/38/06/51/720380651.db2.gz MLDBPWBVXSAXFX-UHFFFAOYSA-N 1 2 456.641 3.386 20 0 JGADLO Cc1csc2nc(C)nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c12 ZINC001164822866 720380659 /nfs/dbraw/zinc/38/06/59/720380659.db2.gz MLDBPWBVXSAXFX-UHFFFAOYSA-N 1 2 456.641 3.386 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5cccc(F)c5)nn4)CC3)C2=O)cs1 ZINC001164825300 720381237 /nfs/dbraw/zinc/38/12/37/720381237.db2.gz UUUVZECZGYPNTO-UHFFFAOYSA-N 1 2 466.586 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5cccc(F)c5)nn4)CC3)C2=O)cs1 ZINC001164825300 720381245 /nfs/dbraw/zinc/38/12/45/720381245.db2.gz UUUVZECZGYPNTO-UHFFFAOYSA-N 1 2 466.586 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-c5cccs5)ncn4)CC3)C2=O)cs1 ZINC001164819681 720381358 /nfs/dbraw/zinc/38/13/58/720381358.db2.gz FSOAOXOYMWMQIV-UHFFFAOYSA-N 1 2 454.625 3.283 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-c5cccs5)ncn4)CC3)C2=O)cs1 ZINC001164819681 720381363 /nfs/dbraw/zinc/38/13/63/720381363.db2.gz FSOAOXOYMWMQIV-UHFFFAOYSA-N 1 2 454.625 3.283 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5sc(C)nc5C)nn4)CC3)C2=O)cs1 ZINC001164821805 720383080 /nfs/dbraw/zinc/38/30/80/720383080.db2.gz IRXXXHZKALCCMT-UHFFFAOYSA-N 1 2 483.667 3.295 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5sc(C)nc5C)nn4)CC3)C2=O)cs1 ZINC001164821805 720383083 /nfs/dbraw/zinc/38/30/83/720383083.db2.gz IRXXXHZKALCCMT-UHFFFAOYSA-N 1 2 483.667 3.295 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5c(nc4Cl)CCCC5)CC3)C2=O)cs1 ZINC001164822869 720386007 /nfs/dbraw/zinc/38/60/07/720386007.db2.gz MMSKIFNOPZJWHG-UHFFFAOYSA-N 1 2 461.035 3.087 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5c(nc4Cl)CCCC5)CC3)C2=O)cs1 ZINC001164822869 720386014 /nfs/dbraw/zinc/38/60/14/720386014.db2.gz MMSKIFNOPZJWHG-UHFFFAOYSA-N 1 2 461.035 3.087 20 0 JGADLO CCCSc1ncnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1OC ZINC001164823686 720386399 /nfs/dbraw/zinc/38/63/99/720386399.db2.gz PINLFZIBQSBBFK-UHFFFAOYSA-N 1 2 476.672 3.065 20 0 JGADLO CCCSc1ncnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1OC ZINC001164823686 720386407 /nfs/dbraw/zinc/38/64/07/720386407.db2.gz PINLFZIBQSBBFK-UHFFFAOYSA-N 1 2 476.672 3.065 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc(Cl)ncc1Cl)C2 ZINC001164824376 720433309 /nfs/dbraw/zinc/43/33/09/720433309.db2.gz LCIQKPWUAGXPBX-CQSZACIVSA-N 1 2 476.355 3.119 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nc3ccsc3c(Cl)n1)C2 ZINC001164823416 720439442 /nfs/dbraw/zinc/43/94/42/720439442.db2.gz JKDVUYCKZNEMBM-CQSZACIVSA-N 1 2 498.987 3.076 20 0 JGADLO Cc1ccc2nc(Cl)cc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164824141 720443366 /nfs/dbraw/zinc/44/33/66/720443366.db2.gz MQCSBCDZEFMLLS-SFHVURJKSA-N 1 2 455.990 3.383 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3cc(Cl)ccc31)C2 ZINC001164822447 720451229 /nfs/dbraw/zinc/45/12/29/720451229.db2.gz FFSQFKJHFQWPNX-HNNXBMFYSA-N 1 2 477.396 3.123 20 0 JGADLO Cc1ccc(F)c2cc(C)c(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc12 ZINC001164832277 720460724 /nfs/dbraw/zinc/46/07/24/720460724.db2.gz SMFFSCOCUYTMEB-IBGZPJMESA-N 1 2 453.562 3.177 20 0 JGADLO Cc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc2cc(Cl)ccc12 ZINC001164833104 720461018 /nfs/dbraw/zinc/46/10/18/720461018.db2.gz YNMQXBBMHNRNOZ-GOSISDBHSA-N 1 2 455.990 3.383 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3ccc(Cl)cc31)C2 ZINC001164831477 720476752 /nfs/dbraw/zinc/47/67/52/720476752.db2.gz GOJBGSLADLJFLH-HNNXBMFYSA-N 1 2 477.396 3.123 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(C(F)F)nc3ccc(Cl)cc31)C2 ZINC001164835434 720479412 /nfs/dbraw/zinc/47/94/12/720479412.db2.gz XYPZOUPBOVHHME-HNNXBMFYSA-N 1 2 492.958 3.407 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cnc(Cl)nc1Oc1ccccc1)C2 ZINC001164834777 720481279 /nfs/dbraw/zinc/48/12/79/720481279.db2.gz URGHATBFGGIHFA-GOSISDBHSA-N 1 2 484.988 3.108 20 0 JGADLO O=C(c1cccnc1N1CC[C@H](O)[C@H]1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164833702 720489549 /nfs/dbraw/zinc/48/95/49/720489549.db2.gz QBWWVTXJXJNAKK-FTJBHMTQSA-N 1 2 456.590 3.222 20 0 JGADLO O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164726323 720499074 /nfs/dbraw/zinc/49/90/74/720499074.db2.gz LGTYJEAYJDMRLX-RPLLCQBOSA-N 1 2 470.577 3.054 20 0 JGADLO O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164726323 720499078 /nfs/dbraw/zinc/49/90/78/720499078.db2.gz LGTYJEAYJDMRLX-RPLLCQBOSA-N 1 2 470.577 3.054 20 0 JGADLO CCOC(=O)c1cnc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1Cl ZINC001164756809 720973202 /nfs/dbraw/zinc/97/32/02/720973202.db2.gz LNHTWGFPTMASRU-AWEZNQCLSA-N 1 2 455.893 3.111 20 0 JGADLO CN1C[C@H](COCC2CC2)[C@@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@H]2C1=O ZINC001164858033 721025837 /nfs/dbraw/zinc/02/58/37/721025837.db2.gz FJCKPATVYIESHH-DSNGMDLFSA-N 1 2 489.664 3.382 20 0 JGADLO CN1C[C@H](COCC2CC2)[C@@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@H]2C1=O ZINC001164858033 721025846 /nfs/dbraw/zinc/02/58/46/721025846.db2.gz FJCKPATVYIESHH-DSNGMDLFSA-N 1 2 489.664 3.382 20 0 JGADLO CN1C[C@H](COCC2CC2)[C@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@@H]2C1=O ZINC001164858035 721026157 /nfs/dbraw/zinc/02/61/57/721026157.db2.gz FJCKPATVYIESHH-SDHSZQHLSA-N 1 2 489.664 3.382 20 0 JGADLO CN1C[C@H](COCC2CC2)[C@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@@H]2C1=O ZINC001164858035 721026167 /nfs/dbraw/zinc/02/61/67/721026167.db2.gz FJCKPATVYIESHH-SDHSZQHLSA-N 1 2 489.664 3.382 20 0 JGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@H]5C[C@@H](COc6ccccn6)C[C@H]54)c3C2)cc1 ZINC001164880856 721311264 /nfs/dbraw/zinc/31/12/64/721311264.db2.gz SUSHDVCQEKGXQP-FTBPSBKWSA-N 1 2 457.578 3.493 20 0 JGADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@H]5C[C@@H](COc6ccccn6)C[C@H]54)c3C2)cc1 ZINC001164880856 721311272 /nfs/dbraw/zinc/31/12/72/721311272.db2.gz SUSHDVCQEKGXQP-FTBPSBKWSA-N 1 2 457.578 3.493 20 0 JGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@H]5C[C@@H](COc6ccccn6)C[C@@H]54)c3C2)cc1 ZINC001164880857 721311484 /nfs/dbraw/zinc/31/14/84/721311484.db2.gz SUSHDVCQEKGXQP-GVXSCFBNSA-N 1 2 457.578 3.493 20 0 JGADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@H]5C[C@@H](COc6ccccn6)C[C@@H]54)c3C2)cc1 ZINC001164880857 721311488 /nfs/dbraw/zinc/31/14/88/721311488.db2.gz SUSHDVCQEKGXQP-GVXSCFBNSA-N 1 2 457.578 3.493 20 0 JGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@H]5C[C@H](COc6ccccn6)C[C@H]54)c3C2)cc1 ZINC001164880859 721311633 /nfs/dbraw/zinc/31/16/33/721311633.db2.gz SUSHDVCQEKGXQP-NQHRYMMQSA-N 1 2 457.578 3.493 20 0 JGADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@H]5C[C@H](COc6ccccn6)C[C@H]54)c3C2)cc1 ZINC001164880859 721311637 /nfs/dbraw/zinc/31/16/37/721311637.db2.gz SUSHDVCQEKGXQP-NQHRYMMQSA-N 1 2 457.578 3.493 20 0 JGADLO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2C1 ZINC001164883333 721348128 /nfs/dbraw/zinc/34/81/28/721348128.db2.gz LBTGALGLZNXXNV-JYFHCDHNSA-N 1 2 469.589 3.012 20 0 JGADLO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2C1 ZINC001164883333 721348134 /nfs/dbraw/zinc/34/81/34/721348134.db2.gz LBTGALGLZNXXNV-JYFHCDHNSA-N 1 2 469.589 3.012 20 0 JGADLO Cn1cnc2c1[C@H](COCc1cccnc1)N(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164785169 721440947 /nfs/dbraw/zinc/44/09/47/721440947.db2.gz RSWGZBUZYKIZKB-SANMLTNESA-N 1 2 481.604 3.484 20 0 JGADLO Cn1cnc2c1[C@H](COCc1cccnc1)N(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164785169 721440948 /nfs/dbraw/zinc/44/09/48/721440948.db2.gz RSWGZBUZYKIZKB-SANMLTNESA-N 1 2 481.604 3.484 20 0 JGADLO CC(C)C(=O)N1CC[C@@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC001164894801 721464468 /nfs/dbraw/zinc/46/44/68/721464468.db2.gz YSLUTYDCEILWGS-NOZRDPDXSA-N 1 2 475.637 3.123 20 0 JGADLO c1cn2c(n1)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C[C@@H](COCc1ccccn1)C2 ZINC001164892159 721468741 /nfs/dbraw/zinc/46/87/41/721468741.db2.gz PKOVGZAUUUCWOW-QHCPKHFHSA-N 1 2 481.604 3.480 20 0 JGADLO c1cn2c(n1)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C[C@@H](COCc1ccccn1)C2 ZINC001164892159 721468746 /nfs/dbraw/zinc/46/87/46/721468746.db2.gz PKOVGZAUUUCWOW-QHCPKHFHSA-N 1 2 481.604 3.480 20 0 JGADLO O=C(NC1CCC1)[C@H]1COC2(C1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164895516 721488726 /nfs/dbraw/zinc/48/87/26/721488726.db2.gz LUBDWIZSRZIEPG-OAQYLSRUSA-N 1 2 461.610 3.079 20 0 JGADLO O=C(NC1CCC1)[C@H]1COC2(C1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164895516 721488732 /nfs/dbraw/zinc/48/87/32/721488732.db2.gz LUBDWIZSRZIEPG-OAQYLSRUSA-N 1 2 461.610 3.079 20 0 JGADLO O=C1NC2(C[C@@H]1c1ccncc1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164898467 721503320 /nfs/dbraw/zinc/50/33/20/721503320.db2.gz SDMIDPRTHPZNFC-JOCHJYFZSA-N 1 2 454.578 3.073 20 0 JGADLO O=C1NC2(C[C@@H]1c1ccncc1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164898467 721503323 /nfs/dbraw/zinc/50/33/23/721503323.db2.gz SDMIDPRTHPZNFC-JOCHJYFZSA-N 1 2 454.578 3.073 20 0 JGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1)C2 ZINC001165011763 721701438 /nfs/dbraw/zinc/70/14/38/721701438.db2.gz YFPQBAUBOBOANQ-UHFFFAOYSA-N 1 2 483.951 3.084 20 0 JGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1)C2 ZINC001165011763 721701440 /nfs/dbraw/zinc/70/14/40/721701440.db2.gz YFPQBAUBOBOANQ-UHFFFAOYSA-N 1 2 483.951 3.084 20 0 JGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)C2 ZINC001165009791 721703678 /nfs/dbraw/zinc/70/36/78/721703678.db2.gz DPGSPONFYKEAKT-QGZVFWFLSA-N 1 2 459.986 3.021 20 0 JGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)C2 ZINC001165009791 721703680 /nfs/dbraw/zinc/70/36/80/721703680.db2.gz DPGSPONFYKEAKT-QGZVFWFLSA-N 1 2 459.986 3.021 20 0 JGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001165009769 721722194 /nfs/dbraw/zinc/72/21/94/721722194.db2.gz ARCIDCJQRCFMLU-UHFFFAOYSA-N 1 2 456.954 3.213 20 0 JGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001165009769 721722199 /nfs/dbraw/zinc/72/21/99/721722199.db2.gz ARCIDCJQRCFMLU-UHFFFAOYSA-N 1 2 456.954 3.213 20 0 JGADLO Clc1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c(Cl)nc2c1 ZINC001164911147 721778353 /nfs/dbraw/zinc/77/83/53/721778353.db2.gz FSBYVAKYFIBGJZ-JOCHJYFZSA-N 1 2 460.365 3.439 20 0 JGADLO Clc1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c(Cl)nc2c1 ZINC001164911147 721778355 /nfs/dbraw/zinc/77/83/55/721778355.db2.gz FSBYVAKYFIBGJZ-JOCHJYFZSA-N 1 2 460.365 3.439 20 0 JGADLO Clc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(Cc2ccccc2)n1 ZINC001164911123 721778906 /nfs/dbraw/zinc/77/89/06/721778906.db2.gz FLGPMDUFDUYPRK-VWLOTQADSA-N 1 2 465.985 3.224 20 0 JGADLO Clc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(Cc2ccccc2)n1 ZINC001164911123 721778910 /nfs/dbraw/zinc/77/89/10/721778910.db2.gz FLGPMDUFDUYPRK-VWLOTQADSA-N 1 2 465.985 3.224 20 0 JGADLO Clc1ncc(OCc2ccccc2)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916338 721784040 /nfs/dbraw/zinc/78/40/40/721784040.db2.gz QAGSMGZPEBEUPE-RUZDIDTESA-N 1 2 481.984 3.212 20 0 JGADLO Clc1ncc(OCc2ccccc2)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916338 721784043 /nfs/dbraw/zinc/78/40/43/721784043.db2.gz QAGSMGZPEBEUPE-RUZDIDTESA-N 1 2 481.984 3.212 20 0 JGADLO FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913228 721795276 /nfs/dbraw/zinc/79/52/76/721795276.db2.gz BMDCXXDZHAQVOG-JOCHJYFZSA-N 1 2 475.927 3.331 20 0 JGADLO FC(F)(c1cccc2c(Cl)ncnc21)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913228 721795279 /nfs/dbraw/zinc/79/52/79/721795279.db2.gz BMDCXXDZHAQVOG-JOCHJYFZSA-N 1 2 475.927 3.331 20 0 JGADLO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914251 721797261 /nfs/dbraw/zinc/79/72/61/721797261.db2.gz KZCZQIHJYMMCJE-LOSJGSFVSA-N 1 2 499.974 3.427 20 0 JGADLO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914251 721797264 /nfs/dbraw/zinc/79/72/64/721797264.db2.gz KZCZQIHJYMMCJE-LOSJGSFVSA-N 1 2 499.974 3.427 20 0 JGADLO Clc1cccc(COc2cncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164914352 721799907 /nfs/dbraw/zinc/79/99/07/721799907.db2.gz MCJOXPBZDXBKJX-VWLOTQADSA-N 1 2 481.984 3.212 20 0 JGADLO Clc1cccc(COc2cncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164914352 721799910 /nfs/dbraw/zinc/79/99/10/721799910.db2.gz MCJOXPBZDXBKJX-VWLOTQADSA-N 1 2 481.984 3.212 20 0 JGADLO FC(F)(N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2)C1(c2ccnc(Cl)c2)CC1 ZINC001164913906 721801023 /nfs/dbraw/zinc/80/10/23/721801023.db2.gz ISUDWZROMNWZBJ-NRFANRHFSA-N 1 2 464.944 3.358 20 0 JGADLO FC(F)(N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2)C1(c2ccnc(Cl)c2)CC1 ZINC001164913906 721801024 /nfs/dbraw/zinc/80/10/24/721801024.db2.gz ISUDWZROMNWZBJ-NRFANRHFSA-N 1 2 464.944 3.358 20 0 JGADLO O=C(c1cccnc1N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164915085 721806720 /nfs/dbraw/zinc/80/67/20/721806720.db2.gz HUWSMQTYKMZPDX-SVEHJYQDSA-N 1 2 499.615 3.251 20 0 JGADLO O=C(Nc1ccccc1)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164945077 721974417 /nfs/dbraw/zinc/97/44/17/721974417.db2.gz BTTKHZATKMJYHN-UHFFFAOYSA-N 1 2 455.562 3.305 20 0 JGADLO O=C(Nc1ccccc1)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164945077 721974419 /nfs/dbraw/zinc/97/44/19/721974419.db2.gz BTTKHZATKMJYHN-UHFFFAOYSA-N 1 2 455.562 3.305 20 0 JGADLO COC(=O)CCN(Cc1ccco1)c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165051124 721982503 /nfs/dbraw/zinc/98/25/03/721982503.db2.gz YKTITPPVFGARNW-UHFFFAOYSA-N 1 2 462.550 3.202 20 0 JGADLO CC[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001305805465 1069332325 /nfs/dbraw/zinc/33/23/25/1069332325.db2.gz BSNOKIDWYMTCGS-PKOBYXMFSA-N 1 2 469.565 3.407 20 0 JGADLO CC[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)OC ZINC001305819653 1069355040 /nfs/dbraw/zinc/35/50/40/1069355040.db2.gz CIMRSRUXYUVYFZ-GOSISDBHSA-N 1 2 466.586 3.411 20 0 JGADLO CC[C@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1)OC ZINC001305821661 1069357567 /nfs/dbraw/zinc/35/75/67/1069357567.db2.gz NTFDPJSPFIYCIB-OAQYLSRUSA-N 1 2 454.550 3.235 20 0 JGADLO CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001305838478 1069382612 /nfs/dbraw/zinc/38/26/12/1069382612.db2.gz QMDKIXYBYPZDFB-HXUWFJFHSA-N 1 2 455.994 3.372 20 0 JGADLO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC001305839582 1069386287 /nfs/dbraw/zinc/38/62/87/1069386287.db2.gz VIHNYHPUTGTUSF-TZIWHRDSSA-N 1 2 459.660 3.295 20 0 JGADLO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)O1 ZINC001305858208 1069413367 /nfs/dbraw/zinc/41/33/67/1069413367.db2.gz CIWRNAYOBSFGSC-AZSVPQILSA-N 1 2 490.737 3.446 20 0 JGADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C ZINC001298241028 1064146622 /nfs/dbraw/zinc/14/66/22/1064146622.db2.gz YAXVUTZXBDJAQP-IEBWSBKVSA-N 1 2 474.675 3.062 20 0 JGADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C ZINC001298241030 1064147294 /nfs/dbraw/zinc/14/72/94/1064147294.db2.gz YAXVUTZXBDJAQP-PKOBYXMFSA-N 1 2 474.675 3.062 20 0 JGADLO CN(CC1CCOCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNc1cccc[nH+]1 ZINC001298577977 1064351281 /nfs/dbraw/zinc/35/12/81/1064351281.db2.gz VWSKYBMPOYYMDK-UHFFFAOYSA-N 1 2 484.626 3.109 20 0 JGADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(Br)cc1Cl ZINC001298653028 1064427426 /nfs/dbraw/zinc/42/74/26/1064427426.db2.gz YBIUQCCMMLKNTM-KRWDZBQOSA-N 1 2 455.784 3.258 20 0 JGADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(Br)cc1Cl ZINC001298653028 1064427430 /nfs/dbraw/zinc/42/74/30/1064427430.db2.gz YBIUQCCMMLKNTM-KRWDZBQOSA-N 1 2 455.784 3.258 20 0 JGADLO O=C(NCCO[C@H]1CCCCO1)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001298690358 1064487717 /nfs/dbraw/zinc/48/77/17/1064487717.db2.gz QKTHUOZGGVKKLK-QFIPXVFZSA-N 1 2 458.990 3.330 20 0 JGADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(-c3cccnc3)n1CCN(C)C(=O)OC(C)(C)C)C2 ZINC001298704491 1064507695 /nfs/dbraw/zinc/50/76/95/1064507695.db2.gz RXNZHOHHDNMSJI-UHFFFAOYSA-N 1 2 478.601 3.231 20 0 JGADLO C[N@H+](CCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1C(C)(C)C)Cc1ccc(F)cc1 ZINC001298720446 1064531925 /nfs/dbraw/zinc/53/19/25/1064531925.db2.gz YAUHRPCOBQOYAH-HXUWFJFHSA-N 1 2 465.639 3.250 20 0 JGADLO C[N@@H+](CCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1C(C)(C)C)Cc1ccc(F)cc1 ZINC001298720446 1064531938 /nfs/dbraw/zinc/53/19/38/1064531938.db2.gz YAUHRPCOBQOYAH-HXUWFJFHSA-N 1 2 465.639 3.250 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1OCCC1(C)C ZINC001298734033 1064549861 /nfs/dbraw/zinc/54/98/61/1064549861.db2.gz WGJCZBIJPDSSJE-IBGZPJMESA-N 1 2 478.435 3.291 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001298738900 1064553547 /nfs/dbraw/zinc/55/35/47/1064553547.db2.gz QVVXQXHPVBYJMV-UHFFFAOYSA-N 1 2 470.540 3.128 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCS1 ZINC001298740164 1064555120 /nfs/dbraw/zinc/55/51/20/1064555120.db2.gz DZWHNZLLFMXGFB-MOPGFXCFSA-N 1 2 480.679 3.014 20 0 JGADLO CN(CCOC(C)(C)C)c1nnc(Cc2ccncc2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001298754786 1064565171 /nfs/dbraw/zinc/56/51/71/1064565171.db2.gz UITNKKAWEOOIBP-XMMPIXPASA-N 1 2 478.641 3.416 20 0 JGADLO CN(CCOC(C)(C)C)c1nnc(Cc2ccncc2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001298754786 1064565181 /nfs/dbraw/zinc/56/51/81/1064565181.db2.gz UITNKKAWEOOIBP-XMMPIXPASA-N 1 2 478.641 3.416 20 0 JGADLO O=C(CSc1nccn1-c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001298869404 1064672802 /nfs/dbraw/zinc/67/28/02/1064672802.db2.gz OIMLPDRGJUJXOT-SFHVURJKSA-N 1 2 454.518 3.306 20 0 JGADLO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c2c(n1)onc2C(C)C ZINC001298907068 1064710885 /nfs/dbraw/zinc/71/08/85/1064710885.db2.gz FRSJTZKBCFUOHH-QGZVFWFLSA-N 1 2 457.575 3.422 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001298965001 1064752322 /nfs/dbraw/zinc/75/23/22/1064752322.db2.gz LXYSLZUJTUBGTO-DLBZAZTESA-N 1 2 481.670 3.459 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C)cc2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001298998524 1064778088 /nfs/dbraw/zinc/77/80/88/1064778088.db2.gz BANDCFMPZLFEBC-OAQYLSRUSA-N 1 2 491.640 3.417 20 0 JGADLO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001299086857 1064892971 /nfs/dbraw/zinc/89/29/71/1064892971.db2.gz MIXKGAIAEQQLHC-XLIONFOSSA-N 1 2 488.608 3.474 20 0 JGADLO CNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001299111672 1064922141 /nfs/dbraw/zinc/92/21/41/1064922141.db2.gz XOAOTPPOTGSOMS-UHFFFAOYSA-N 1 2 453.978 3.458 20 0 JGADLO CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)N3CC[NH+](CCCF)CC3)s2)CC1 ZINC001299826337 1065019343 /nfs/dbraw/zinc/01/93/43/1065019343.db2.gz SJZZOUFBPDEQCV-UHFFFAOYSA-N 1 2 454.612 3.450 20 0 JGADLO COc1cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCC(F)(F)C2)cc(OC)c1OC ZINC001299841305 1065037301 /nfs/dbraw/zinc/03/73/01/1065037301.db2.gz QGGITFWLFGWNKK-QGZVFWFLSA-N 1 2 495.571 3.175 20 0 JGADLO COc1cc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc(OC)c1OC ZINC001299856828 1065065531 /nfs/dbraw/zinc/06/55/31/1065065531.db2.gz GFYONWBZHFULNO-QFIPXVFZSA-N 1 2 496.612 3.341 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001299894958 1065125865 /nfs/dbraw/zinc/12/58/65/1065125865.db2.gz LDTJYMGFSJWGNH-SJLPKXTDSA-N 1 2 494.017 3.126 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H](OC)C(C)C ZINC001299897123 1065130533 /nfs/dbraw/zinc/13/05/33/1065130533.db2.gz BQAARYPVLQQQIW-HXUWFJFHSA-N 1 2 451.999 3.047 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)n1C[C@@H](C)SC ZINC001299909281 1065157355 /nfs/dbraw/zinc/15/73/55/1065157355.db2.gz SOSABMULWMCLEF-HZPDHXFCSA-N 1 2 493.077 3.148 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCC(F)(F)C2)c1 ZINC001299931451 1065195652 /nfs/dbraw/zinc/19/56/52/1065195652.db2.gz AGYBHROSDAOUKM-KRWDZBQOSA-N 1 2 465.545 3.166 20 0 JGADLO COc1cc2c(cc1OC)CCN(c1nnc(C(=O)NC(C)C)n1CCCc1cccc(C)[nH+]1)CC2 ZINC001299963726 1065246267 /nfs/dbraw/zinc/24/62/67/1065246267.db2.gz NLBHJIOCAYJMKF-UHFFFAOYSA-N 1 2 492.624 3.375 20 0 JGADLO COc1ccc([C@@H](C)N(C)c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001299986811 1065288227 /nfs/dbraw/zinc/28/82/27/1065288227.db2.gz KSFJXTXPUYDGRK-VQTJNVASSA-N 1 2 450.587 3.191 20 0 JGADLO COc1ccc([C@@H](C)N(C)c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001299986811 1065288241 /nfs/dbraw/zinc/28/82/41/1065288241.db2.gz KSFJXTXPUYDGRK-VQTJNVASSA-N 1 2 450.587 3.191 20 0 JGADLO COc1ccc(-c2nnc(N(C)[C@H]3CCSC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001299996613 1065305729 /nfs/dbraw/zinc/30/57/29/1065305729.db2.gz JZYWVBIZXJQTMD-SFHVURJKSA-N 1 2 454.600 3.413 20 0 JGADLO Cc1ccc(CNC(=O)C2CCN(c3nnc(CC(C)C)n3C[C@H](C)[NH+]3CCOCC3)CC2)cc1 ZINC001492206440 1065321292 /nfs/dbraw/zinc/32/12/92/1065321292.db2.gz ZKYJXFWYYARNND-QFIPXVFZSA-N 1 2 482.673 3.039 20 0 JGADLO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCCc3cccc(C)[nH+]3)CC2)cc1 ZINC001492227441 1065330032 /nfs/dbraw/zinc/33/00/32/1065330032.db2.gz LMEJOLUXOAGZCU-UHFFFAOYSA-N 1 2 461.614 3.388 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001492240928 1065340001 /nfs/dbraw/zinc/34/00/01/1065340001.db2.gz SHLVJTXKINUPMK-JOCHJYFZSA-N 1 2 484.645 3.263 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001492240928 1065340010 /nfs/dbraw/zinc/34/00/10/1065340010.db2.gz SHLVJTXKINUPMK-JOCHJYFZSA-N 1 2 484.645 3.263 20 0 JGADLO Cc1ccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001492289104 1065357391 /nfs/dbraw/zinc/35/73/91/1065357391.db2.gz SOPZMFVGBIYYPD-HXUWFJFHSA-N 1 2 454.619 3.115 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492265918 1065359535 /nfs/dbraw/zinc/35/95/35/1065359535.db2.gz HNAOTCPAJGIJFK-AREMUKBSSA-N 1 2 477.613 3.276 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CCc3nccs3)n2CC[N@H+]2CCOC[C@@H]2C)cc1C ZINC001492331009 1065400827 /nfs/dbraw/zinc/40/08/27/1065400827.db2.gz VIENXDHKKPQRAG-FQEVSTJZSA-N 1 2 470.643 3.330 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CCc3nccs3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1C ZINC001492331009 1065400836 /nfs/dbraw/zinc/40/08/36/1065400836.db2.gz VIENXDHKKPQRAG-FQEVSTJZSA-N 1 2 470.643 3.330 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CCC3CCOCC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001492330703 1065400901 /nfs/dbraw/zinc/40/09/01/1065400901.db2.gz SJYXEKDLOZIWAJ-NRFANRHFSA-N 1 2 457.619 3.139 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CCC3CCOCC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001492330703 1065400905 /nfs/dbraw/zinc/40/09/05/1065400905.db2.gz SJYXEKDLOZIWAJ-NRFANRHFSA-N 1 2 457.619 3.139 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1C ZINC001492337197 1065404398 /nfs/dbraw/zinc/40/43/98/1065404398.db2.gz GTJGRBDUQHPIHZ-SFTDATJTSA-N 1 2 457.619 3.198 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001492371361 1065435221 /nfs/dbraw/zinc/43/52/21/1065435221.db2.gz PQQCNTZCLGIKIK-FCHUYYIVSA-N 1 2 498.672 3.017 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001492371361 1065435226 /nfs/dbraw/zinc/43/52/26/1065435226.db2.gz PQQCNTZCLGIKIK-FCHUYYIVSA-N 1 2 498.672 3.017 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCCNc2cccc[nH+]2)cc1 ZINC001492382930 1065445294 /nfs/dbraw/zinc/44/52/94/1065445294.db2.gz FXLCAAKWFGFEAY-UHFFFAOYSA-N 1 2 477.613 3.367 20 0 JGADLO CO[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1(C)C ZINC001300846086 1065589147 /nfs/dbraw/zinc/58/91/47/1065589147.db2.gz BQOKOFJPRUHOPY-PZJWPPBQSA-N 1 2 459.660 3.461 20 0 JGADLO CO[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1(C)C ZINC001300846086 1065589163 /nfs/dbraw/zinc/58/91/63/1065589163.db2.gz BQOKOFJPRUHOPY-PZJWPPBQSA-N 1 2 459.660 3.461 20 0 JGADLO COCC(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001300933937 1065734246 /nfs/dbraw/zinc/73/42/46/1065734246.db2.gz AUIVSAGFNXFMFC-UHFFFAOYSA-N 1 2 466.586 3.357 20 0 JGADLO COCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001300936176 1065737450 /nfs/dbraw/zinc/73/74/50/1065737450.db2.gz SDLZLHWVXQIEKB-UHFFFAOYSA-N 1 2 468.646 3.061 20 0 JGADLO COCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001300945910 1065748828 /nfs/dbraw/zinc/74/88/28/1065748828.db2.gz VEDRUGRNJMPTDL-UHFFFAOYSA-N 1 2 482.604 3.406 20 0 JGADLO COC[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001300962899 1065771414 /nfs/dbraw/zinc/77/14/14/1065771414.db2.gz XJHXGFNJZRJGDE-WOJBJXKFSA-N 1 2 489.064 3.404 20 0 JGADLO COC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001301003376 1065832067 /nfs/dbraw/zinc/83/20/67/1065832067.db2.gz MGIUEAHDNLINPM-KRWDZBQOSA-N 1 2 460.941 3.121 20 0 JGADLO COC[C@@H](F)Cn1c(-c2ccccc2Br)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001301053913 1065903787 /nfs/dbraw/zinc/90/37/87/1065903787.db2.gz SSKULCBKZGYLIR-INIZCTEOSA-N 1 2 475.366 3.414 20 0 JGADLO COCc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC001301165631 1066002143 /nfs/dbraw/zinc/00/21/43/1066002143.db2.gz ZJOMIARTCVKOCS-OAQYLSRUSA-N 1 2 482.673 3.194 20 0 JGADLO COCC1=CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001301191201 1066020153 /nfs/dbraw/zinc/02/01/53/1066020153.db2.gz XXNWIGVIZDMINC-FQEVSTJZSA-N 1 2 455.513 3.099 20 0 JGADLO COCC1=CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001301203046 1066027375 /nfs/dbraw/zinc/02/73/75/1066027375.db2.gz ASINAWGAAUZRBN-UHFFFAOYSA-N 1 2 452.534 3.288 20 0 JGADLO COC[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNc2cccc[nH+]2)C1 ZINC001301263392 1066078905 /nfs/dbraw/zinc/07/89/05/1066078905.db2.gz CDKFSBRGOIEPRU-LJQANCHMSA-N 1 2 484.626 3.109 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](COC)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001301286004 1066094165 /nfs/dbraw/zinc/09/41/65/1066094165.db2.gz NFYXAYAWLSMDFD-JHBZICRXSA-N 1 2 493.599 3.446 20 0 JGADLO COCC1CCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC001301290715 1066097407 /nfs/dbraw/zinc/09/74/07/1066097407.db2.gz ONJIOUKIRMDXAX-UHFFFAOYSA-N 1 2 454.663 3.256 20 0 JGADLO COC[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301318956 1066117024 /nfs/dbraw/zinc/11/70/24/1066117024.db2.gz JJCBWYJPYXWWGO-HXUWFJFHSA-N 1 2 499.660 3.375 20 0 JGADLO COC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001301374696 1066168240 /nfs/dbraw/zinc/16/82/40/1066168240.db2.gz LMZJXFMQARWTGK-KRWDZBQOSA-N 1 2 487.402 3.069 20 0 JGADLO COC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001301388502 1066174754 /nfs/dbraw/zinc/17/47/54/1066174754.db2.gz URLGRALWBNBEAC-FQEVSTJZSA-N 1 2 456.978 3.271 20 0 JGADLO COCC[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001301449288 1066262992 /nfs/dbraw/zinc/26/29/92/1066262992.db2.gz GXFMJOHPVYGPGX-VWLOTQADSA-N 1 2 473.666 3.203 20 0 JGADLO COCCO[C@H](C)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001301970183 1066276855 /nfs/dbraw/zinc/27/68/55/1066276855.db2.gz QNBMZPZQJNJWTP-SJBKTWHCSA-N 1 2 472.634 3.297 20 0 JGADLO COCCO[C@H](C)c1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001301970187 1066276922 /nfs/dbraw/zinc/27/69/22/1066276922.db2.gz QNBMZPZQJNJWTP-VWPQPMDRSA-N 1 2 472.634 3.297 20 0 JGADLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCCO)CC1 ZINC001301980259 1066287212 /nfs/dbraw/zinc/28/72/12/1066287212.db2.gz BOFGDZLDOOGMOU-LJQANCHMSA-N 1 2 489.064 3.330 20 0 JGADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(C)(F)F)CC1 ZINC001301984305 1066293904 /nfs/dbraw/zinc/29/39/04/1066293904.db2.gz SZPDHEXVNYCUDB-OAHLLOKOSA-N 1 2 466.964 3.433 20 0 JGADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001301994129 1066319669 /nfs/dbraw/zinc/31/96/69/1066319669.db2.gz YPVAEOQPRJCCAS-SFHLNBCPSA-N 1 2 490.674 3.211 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302001915 1066336664 /nfs/dbraw/zinc/33/66/64/1066336664.db2.gz UFXAOHNPKWBZBE-CJFMBICVSA-N 1 2 493.718 3.393 20 0 JGADLO COc1cccc([C@H]2CN(C(=O)[C@@H]3C[C@H](C(F)(F)F)CN3C(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC001302001960 1066336701 /nfs/dbraw/zinc/33/67/01/1066336701.db2.gz AYZKKILHQMJIKZ-JQHSSLGASA-N 1 2 457.493 3.356 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302012137 1066355696 /nfs/dbraw/zinc/35/56/96/1066355696.db2.gz YFXWTKKWTFWDKL-TZIWHRDSSA-N 1 2 472.634 3.154 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302012134 1066355754 /nfs/dbraw/zinc/35/57/54/1066355754.db2.gz YFXWTKKWTFWDKL-PZJWPPBQSA-N 1 2 472.634 3.154 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[C@@H](c3cccc(C)c3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302012824 1066357207 /nfs/dbraw/zinc/35/72/07/1066357207.db2.gz DIFVYSAZDVEGCN-FYYLOGMGSA-N 1 2 471.646 3.415 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[C@@H](c3cccc(C)c3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302012824 1066357224 /nfs/dbraw/zinc/35/72/24/1066357224.db2.gz DIFVYSAZDVEGCN-FYYLOGMGSA-N 1 2 471.646 3.415 20 0 JGADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC001301547761 1066377212 /nfs/dbraw/zinc/37/72/12/1066377212.db2.gz PXERJYQTFKFWBC-LJQANCHMSA-N 1 2 452.312 3.256 20 0 JGADLO CC(C)(C)[C@@]1(C)CN(c2nnc(C(=O)N3CCCC3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001302023378 1066378196 /nfs/dbraw/zinc/37/81/96/1066378196.db2.gz UHZHDDAWRHNXCS-XMMPIXPASA-N 1 2 455.607 3.053 20 0 JGADLO CC(C)(C)[C@]1(C)CN(c2nnc(C(=O)N3CCCC3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001302023376 1066378334 /nfs/dbraw/zinc/37/83/34/1066378334.db2.gz UHZHDDAWRHNXCS-DEOSSOPVSA-N 1 2 455.607 3.053 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(OC)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001302051488 1066438123 /nfs/dbraw/zinc/43/81/23/1066438123.db2.gz GMULJULPPGQQSG-CYFREDJKSA-N 1 2 456.591 3.288 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC[C@H](OC)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001302055063 1066448580 /nfs/dbraw/zinc/44/85/80/1066448580.db2.gz APOJNSUMMSRUGK-IRLDBZIGSA-N 1 2 472.634 3.297 20 0 JGADLO CC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001301630681 1066492210 /nfs/dbraw/zinc/49/22/10/1066492210.db2.gz GZUGTTWANSKIKH-UHFFFAOYSA-N 1 2 453.635 3.456 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1Cc1c[nH+]ccc1OC ZINC001302080187 1066496070 /nfs/dbraw/zinc/49/60/70/1066496070.db2.gz BYEMKDMARRSTCG-KRWDZBQOSA-N 1 2 488.539 3.059 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1Cc1ccc(O)cc1 ZINC001302083074 1066504121 /nfs/dbraw/zinc/50/41/21/1066504121.db2.gz FDINLJASRBOZBO-FQEVSTJZSA-N 1 2 495.628 3.304 20 0 JGADLO CC(=O)N(C)C1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001301642337 1066506964 /nfs/dbraw/zinc/50/69/64/1066506964.db2.gz ZVJAFZZVCGNABI-UHFFFAOYSA-N 1 2 461.614 3.020 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001302085598 1066509901 /nfs/dbraw/zinc/50/99/01/1066509901.db2.gz SZOFAGBVJHHOGJ-HKUYNNGSSA-N 1 2 477.679 3.205 20 0 JGADLO O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001301657835 1066526797 /nfs/dbraw/zinc/52/67/97/1066526797.db2.gz FWSJNCXMVGITSF-OAQYLSRUSA-N 1 2 459.955 3.198 20 0 JGADLO COCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001301659067 1066528023 /nfs/dbraw/zinc/52/80/23/1066528023.db2.gz FPDXUISPEOYUMY-WOJBJXKFSA-N 1 2 462.664 3.320 20 0 JGADLO O=C(c1ccc(N2CCCS2(=O)=O)cc1Cl)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001301660872 1066531033 /nfs/dbraw/zinc/53/10/33/1066531033.db2.gz HQJBQTIEFBVMED-IBGZPJMESA-N 1 2 454.379 3.320 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[C@H](OC)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302118630 1066558877 /nfs/dbraw/zinc/55/88/77/1066558877.db2.gz UUVOJAOCWZWDGX-CTNGQTDRSA-N 1 2 458.607 3.051 20 0 JGADLO COCCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001301683232 1066565827 /nfs/dbraw/zinc/56/58/27/1066565827.db2.gz MQMCSZHKKGSJNO-GOSISDBHSA-N 1 2 487.004 3.434 20 0 JGADLO COCCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001301682889 1066565839 /nfs/dbraw/zinc/56/58/39/1066565839.db2.gz JTAIFLWGJCYNSF-MBSDFSHPSA-N 1 2 496.077 3.362 20 0 JGADLO COCCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001301683135 1066565967 /nfs/dbraw/zinc/56/59/67/1066565967.db2.gz LPZZXDKUFOPDQD-RBUKOAKNSA-N 1 2 484.576 3.308 20 0 JGADLO COCCOC1(Cn2c(CC(C)(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)CCOCC1 ZINC001302123636 1066567399 /nfs/dbraw/zinc/56/73/99/1066567399.db2.gz LKSUMMQMMDDHQR-UHFFFAOYSA-N 1 2 486.661 3.103 20 0 JGADLO CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC001301700349 1066589782 /nfs/dbraw/zinc/58/97/82/1066589782.db2.gz WSIAGJSJDJMAMI-DEOSSOPVSA-N 1 2 482.673 3.307 20 0 JGADLO COCCO[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302152269 1066604665 /nfs/dbraw/zinc/60/46/65/1066604665.db2.gz QMBVMCQJTLRMMD-QFIPXVFZSA-N 1 2 466.586 3.095 20 0 JGADLO CC(C)(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCS(=O)(=O)Cc1ccccc1 ZINC001302173458 1066644083 /nfs/dbraw/zinc/64/40/83/1066644083.db2.gz RVLAGLKLWTYMEV-NRFANRHFSA-N 1 2 459.660 3.156 20 0 JGADLO CC(C)(C)Cc1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCS(=O)(=O)Cc1ccccc1 ZINC001302173458 1066644092 /nfs/dbraw/zinc/64/40/92/1066644092.db2.gz RVLAGLKLWTYMEV-NRFANRHFSA-N 1 2 459.660 3.156 20 0 JGADLO CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)[C@H](C)C1 ZINC001301742782 1066666147 /nfs/dbraw/zinc/66/61/47/1066666147.db2.gz CRAFGZKNENPXTF-HXUWFJFHSA-N 1 2 453.635 3.213 20 0 JGADLO COCCOC[C@@H]1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302195770 1066685210 /nfs/dbraw/zinc/68/52/10/1066685210.db2.gz NFNXKJOJIPMYNM-LJQANCHMSA-N 1 2 454.550 3.083 20 0 JGADLO COCCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)[NH+]1CCOCC1)[C@H]1CC[C@H](C)C1 ZINC001301757168 1066689618 /nfs/dbraw/zinc/68/96/18/1066689618.db2.gz KRIKHHFOIVTMPP-JTAQYXEDSA-N 1 2 459.610 3.370 20 0 JGADLO COCCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)[NH+]1CCOCC1)[C@@H]1CC[C@@H](C)C1 ZINC001301757171 1066689624 /nfs/dbraw/zinc/68/96/24/1066689624.db2.gz KRIKHHFOIVTMPP-ZRCGQRJVSA-N 1 2 459.610 3.370 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CCC(F)F)CC1 ZINC001301762864 1066702014 /nfs/dbraw/zinc/70/20/14/1066702014.db2.gz CDQJSOBOHDMHMK-MRXNPFEDSA-N 1 2 484.979 3.327 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C(C)C)C2)CC1 ZINC001301762764 1066702123 /nfs/dbraw/zinc/70/21/23/1066702123.db2.gz BFMITTXSICCHPK-TZIWHRDSSA-N 1 2 472.609 3.204 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCC=C(C)C2)CC1 ZINC001301764516 1066705530 /nfs/dbraw/zinc/70/55/30/1066705530.db2.gz QMSBRPOYGCRQNY-IBGZPJMESA-N 1 2 473.021 3.392 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001301765768 1066706647 /nfs/dbraw/zinc/70/66/47/1066706647.db2.gz YTMYOOQLBYONNL-OAQYLSRUSA-N 1 2 495.455 3.450 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001301769421 1066712934 /nfs/dbraw/zinc/71/29/34/1066712934.db2.gz BSJGKUVXOUSMDO-JOCHJYFZSA-N 1 2 456.610 3.045 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3cccc(C)c3)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001301774567 1066720344 /nfs/dbraw/zinc/72/03/44/1066720344.db2.gz DISHPAWIWZAOSL-OAQYLSRUSA-N 1 2 468.646 3.202 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001301776032 1066721737 /nfs/dbraw/zinc/72/17/37/1066721737.db2.gz VRZSCJJXWBFVHM-DEOSSOPVSA-N 1 2 452.647 3.100 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)ccc3C(C)C)nnc2N(C)C2CC2)CC1 ZINC001301775977 1066721918 /nfs/dbraw/zinc/72/19/18/1066721918.db2.gz URQABFWESMJZSH-UHFFFAOYSA-N 1 2 454.619 3.052 20 0 JGADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC001301781806 1066731465 /nfs/dbraw/zinc/73/14/65/1066731465.db2.gz FKCIENUIUPAHHQ-UHFFFAOYSA-N 1 2 458.971 3.418 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)(C)C)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001302244845 1066774736 /nfs/dbraw/zinc/77/47/36/1066774736.db2.gz ZBWWRRHIBGBZAR-ZEQRLZLVSA-N 1 2 484.689 3.302 20 0 JGADLO COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001301825784 1066788940 /nfs/dbraw/zinc/78/89/40/1066788940.db2.gz CCAOKTKVKVADMD-SFHVURJKSA-N 1 2 495.441 3.098 20 0 JGADLO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCNc2cccc[nH+]2)C1 ZINC001302255464 1066798420 /nfs/dbraw/zinc/79/84/20/1066798420.db2.gz DUJSEGXXZXUMFQ-MOPGFXCFSA-N 1 2 471.606 3.030 20 0 JGADLO CC(=O)N[C@@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301833989 1066801380 /nfs/dbraw/zinc/80/13/80/1066801380.db2.gz WNLGFQBBWFESPW-FXAWDEMLSA-N 1 2 493.077 3.049 20 0 JGADLO COCCn1cc(Cn2c(N3CC[NH+](Cc4cccc(Cl)c4)CC3)nnc2C(C)(C)C)cn1 ZINC001301854948 1066834406 /nfs/dbraw/zinc/83/44/06/1066834406.db2.gz AUYPBRDQKBAZEP-UHFFFAOYSA-N 1 2 472.037 3.442 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCSC(C)C ZINC001302310964 1066904376 /nfs/dbraw/zinc/90/43/76/1066904376.db2.gz GNCGTRJWIXGUHL-ICSRJNTNSA-N 1 2 480.704 3.231 20 0 JGADLO CON(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302356886 1066949101 /nfs/dbraw/zinc/94/91/01/1066949101.db2.gz FGMSEZUGABJKKO-DEOSSOPVSA-N 1 2 475.659 3.360 20 0 JGADLO CC(C)=CCCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001302389534 1066970243 /nfs/dbraw/zinc/97/02/43/1066970243.db2.gz VTZFOAKYMQEZLD-FQEVSTJZSA-N 1 2 472.659 3.328 20 0 JGADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001301932026 1066970175 /nfs/dbraw/zinc/97/01/75/1066970175.db2.gz VHIXWZGQJSNKFR-RBBKRZOGSA-N 1 2 497.688 3.377 20 0 JGADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(C)(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001301932022 1066970203 /nfs/dbraw/zinc/97/02/03/1066970203.db2.gz VHIXWZGQJSNKFR-IFMALSPDSA-N 1 2 497.688 3.377 20 0 JGADLO CO[C@H]1CCN(c2nnc(COc3ccc(Br)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302402124 1066982225 /nfs/dbraw/zinc/98/22/25/1066982225.db2.gz XBKKDJLFGFLCCB-IBGZPJMESA-N 1 2 487.402 3.354 20 0 JGADLO COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001301941855 1066990108 /nfs/dbraw/zinc/99/01/08/1066990108.db2.gz IXHXIOCVYDPQHG-FCHUYYIVSA-N 1 2 491.640 3.352 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001302408634 1066991572 /nfs/dbraw/zinc/99/15/72/1066991572.db2.gz IERJWKWRDRJBJB-PKTZIBPZSA-N 1 2 468.646 3.216 20 0 JGADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301942840 1066992182 /nfs/dbraw/zinc/99/21/82/1066992182.db2.gz ZNOVSRANTJWXMR-IFMALSPDSA-N 1 2 491.640 3.130 20 0 JGADLO COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccccc3C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301942846 1066992474 /nfs/dbraw/zinc/99/24/74/1066992474.db2.gz ZNOVSRANTJWXMR-UNMCSNQZSA-N 1 2 491.640 3.130 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2CC[N@@H+]2CCOC[C@@H]2C)c1C ZINC001304020996 1067065358 /nfs/dbraw/zinc/06/53/58/1067065358.db2.gz WMJDAXCFLBNTNM-ILWGZMRPSA-N 1 2 457.619 3.371 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2CC[N@H+]2CCOC[C@@H]2C)c1C ZINC001304020996 1067065371 /nfs/dbraw/zinc/06/53/71/1067065371.db2.gz WMJDAXCFLBNTNM-ILWGZMRPSA-N 1 2 457.619 3.371 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@@H+]2CCOC[C@H]2C)c1C ZINC001304031411 1067079784 /nfs/dbraw/zinc/07/97/84/1067079784.db2.gz UJXCCKUOZFGLDM-FYYLOGMGSA-N 1 2 498.672 3.060 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@H+]2CCOC[C@H]2C)c1C ZINC001304031411 1067079794 /nfs/dbraw/zinc/07/97/94/1067079794.db2.gz UJXCCKUOZFGLDM-FYYLOGMGSA-N 1 2 498.672 3.060 20 0 JGADLO CC(C)[C@](C)(O)Cn1c(-c2cccn2C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001302483698 1067082793 /nfs/dbraw/zinc/08/27/93/1067082793.db2.gz GBJPEQUAUHKKTP-GBXCKJPGSA-N 1 2 472.659 3.262 20 0 JGADLO Cc1nc(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC[NH+]2CCOCC2)sc1C ZINC001304052450 1067093784 /nfs/dbraw/zinc/09/37/84/1067093784.db2.gz BGYKKILDRNHPKO-UHFFFAOYSA-N 1 2 477.034 3.401 20 0 JGADLO CC(C)[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001302505254 1067107399 /nfs/dbraw/zinc/10/73/99/1067107399.db2.gz TWXGZIFPSFWWSK-VWLOTQADSA-N 1 2 468.577 3.427 20 0 JGADLO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(Cl)c(F)c1)[NH+]1CCOCC1 ZINC001302509864 1067116691 /nfs/dbraw/zinc/11/66/91/1067116691.db2.gz HXJPRLNCFHXQDN-NRFANRHFSA-N 1 2 493.027 3.300 20 0 JGADLO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1cccs1)[NH+]1CCOCC1 ZINC001302511737 1067122986 /nfs/dbraw/zinc/12/29/86/1067122986.db2.gz WLWGMBJBNNJVTJ-OALUTQOASA-N 1 2 460.648 3.130 20 0 JGADLO Cc1c(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)cnn1C ZINC001304089336 1067133497 /nfs/dbraw/zinc/13/34/97/1067133497.db2.gz VUVWVHIWJHWORC-DYESRHJHSA-N 1 2 473.572 3.432 20 0 JGADLO CSC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001302533257 1067162410 /nfs/dbraw/zinc/16/24/10/1067162410.db2.gz IARVKBSKOWTBBJ-NRFANRHFSA-N 1 2 492.759 3.303 20 0 JGADLO CSC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001302533877 1067163506 /nfs/dbraw/zinc/16/35/06/1067163506.db2.gz QGSVFIIVTNMWDY-UHFFFAOYSA-N 1 2 454.648 3.305 20 0 JGADLO Cc1nnsc1Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001304126903 1067165560 /nfs/dbraw/zinc/16/55/60/1067165560.db2.gz XCHRSHNQHWXRDG-UHFFFAOYSA-N 1 2 480.063 3.200 20 0 JGADLO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001304136454 1067174994 /nfs/dbraw/zinc/17/49/94/1067174994.db2.gz OEPXEILHZPYJAB-HXUWFJFHSA-N 1 2 463.586 3.331 20 0 JGADLO Cc1cc(C(=O)N2CCN(c3nnc(C(C)C)n3Cc3ccc(N(C)C)[nH+]c3)CC2)c(C)o1 ZINC001304143966 1067185851 /nfs/dbraw/zinc/18/58/51/1067185851.db2.gz LFMGCHBDOXRBAJ-UHFFFAOYSA-N 1 2 451.575 3.083 20 0 JGADLO CS[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001302558629 1067199291 /nfs/dbraw/zinc/19/92/91/1067199291.db2.gz PUMCXZGMTLMUKE-QZTJIDSGSA-N 1 2 492.640 3.032 20 0 JGADLO CS[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001302567729 1067207274 /nfs/dbraw/zinc/20/72/74/1067207274.db2.gz FWYZPCKNSGJVTE-MRXNPFEDSA-N 1 2 457.579 3.173 20 0 JGADLO CC(C)(C)OC(=O)N1CCn2nc(NC(=O)c3ccc(NCCn4cc[nH+]c4)cc3)cc2C1 ZINC001304170066 1067218066 /nfs/dbraw/zinc/21/80/66/1067218066.db2.gz FIYFKAZDNNAAFY-UHFFFAOYSA-N 1 2 451.531 3.195 20 0 JGADLO Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@@H]2C)no1 ZINC001304209554 1067253759 /nfs/dbraw/zinc/25/37/59/1067253759.db2.gz DJESUWBDNBNJOL-INIZCTEOSA-N 1 2 460.966 3.164 20 0 JGADLO Cc1cc(CN(C)c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)no1 ZINC001304209554 1067253762 /nfs/dbraw/zinc/25/37/62/1067253762.db2.gz DJESUWBDNBNJOL-INIZCTEOSA-N 1 2 460.966 3.164 20 0 JGADLO CC(C)c1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001302627713 1067257810 /nfs/dbraw/zinc/25/78/10/1067257810.db2.gz GCHUQJKZPJKAFE-UHFFFAOYSA-N 1 2 476.666 3.350 20 0 JGADLO Cc1cc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@@](C)(O)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245034 1067279990 /nfs/dbraw/zinc/27/99/90/1067279990.db2.gz DLWJCQFKZCVPFJ-AREMUKBSSA-N 1 2 478.645 3.219 20 0 JGADLO Cc1cc(N2CCN(c3nnc(CC(C)C)n3Cc3ncnn3C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245004 1067280021 /nfs/dbraw/zinc/28/00/21/1067280021.db2.gz CBTRCOZLSOBBMP-UHFFFAOYSA-N 1 2 480.665 3.420 20 0 JGADLO Cc1cc(N2CCN(c3nnc(CC4CC4)n3CCNC(=O)OC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245185 1067280202 /nfs/dbraw/zinc/28/02/02/1067280202.db2.gz JHIQVBJXFYMYSQ-UHFFFAOYSA-N 1 2 484.649 3.304 20 0 JGADLO Cc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCOc1ncccc1Cl ZINC001304245606 1067281087 /nfs/dbraw/zinc/28/10/87/1067281087.db2.gz NUQZIKLNKGXFJH-UHFFFAOYSA-N 1 2 456.982 3.262 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(C(N)=O)cc3)CC2)nc(C(C)C)[nH+]1 ZINC001304245604 1067281129 /nfs/dbraw/zinc/28/11/29/1067281129.db2.gz NQJZHYBADGCBPU-UHFFFAOYSA-N 1 2 476.629 3.271 20 0 JGADLO Cc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCCn1cc(Br)cn1 ZINC001304245610 1067281165 /nfs/dbraw/zinc/28/11/65/1067281165.db2.gz NXTKQNZLKNNDJE-UHFFFAOYSA-N 1 2 488.438 3.184 20 0 JGADLO Cc1cccc(N(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001304245856 1067281188 /nfs/dbraw/zinc/28/11/88/1067281188.db2.gz PNTAYNULVMVPSQ-GOSISDBHSA-N 1 2 454.600 3.067 20 0 JGADLO Cc1cccc(N(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001304245856 1067281195 /nfs/dbraw/zinc/28/11/95/1067281195.db2.gz PNTAYNULVMVPSQ-GOSISDBHSA-N 1 2 454.600 3.067 20 0 JGADLO CSc1ccccc1CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCNc1cccc[nH+]1 ZINC001302658324 1067286139 /nfs/dbraw/zinc/28/61/39/1067286139.db2.gz CFCWAOUOPOHHOP-GOSISDBHSA-N 1 2 451.600 3.485 20 0 JGADLO CC(C)c1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1CCCNc1cccc[nH+]1 ZINC001302668947 1067295647 /nfs/dbraw/zinc/29/56/47/1067295647.db2.gz NYGDUUMAUXQZDR-UHFFFAOYSA-N 1 2 483.642 3.200 20 0 JGADLO Cc1ccc([C@@H](Cn2c(C(C)C)nnc2N2CCC(CC(=O)N(C)C)CC2)[NH+]2CCOCC2)cc1 ZINC001304276912 1067315911 /nfs/dbraw/zinc/31/59/11/1067315911.db2.gz WGYCQWUXWOURCS-XMMPIXPASA-N 1 2 482.673 3.478 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCS(=O)(=O)c1ccccc1 ZINC001302698187 1067323340 /nfs/dbraw/zinc/32/33/40/1067323340.db2.gz IOOBUTSZWYPRCQ-UHFFFAOYSA-N 1 2 473.668 3.302 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCc2cccc(C)[nH+]2)c1 ZINC001304289620 1067335381 /nfs/dbraw/zinc/33/53/81/1067335381.db2.gz VSQKGFNMVAHDAL-NRFANRHFSA-N 1 2 462.598 3.477 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001304291923 1067340102 /nfs/dbraw/zinc/34/01/02/1067340102.db2.gz PDZSPEOODXLIKJ-FYYLOGMGSA-N 1 2 457.619 3.056 20 0 JGADLO Cc1ccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ccc(N3CCCCCC3)[nH+]c2)o1 ZINC001304294255 1067343476 /nfs/dbraw/zinc/34/34/76/1067343476.db2.gz NKPMTXCKLSIKFX-KRWDZBQOSA-N 1 2 451.575 3.370 20 0 JGADLO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@@H](C)[NH+]2CCOCC2)o1 ZINC001304298069 1067347624 /nfs/dbraw/zinc/34/76/24/1067347624.db2.gz SZAHUHHDGLSGEH-IEBWSBKVSA-N 1 2 487.626 3.168 20 0 JGADLO CC(C)[C@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302747559 1067355665 /nfs/dbraw/zinc/35/56/65/1067355665.db2.gz OHWJYNYXDLNILQ-MXEMCNAFSA-N 1 2 476.666 3.394 20 0 JGADLO Cc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)o1 ZINC001304309592 1067357009 /nfs/dbraw/zinc/35/70/09/1067357009.db2.gz FMYLGVSZXXQCKH-UZUQRXQVSA-N 1 2 458.513 3.129 20 0 JGADLO Cc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001304329201 1067377620 /nfs/dbraw/zinc/37/76/20/1067377620.db2.gz CAQXMCUGRZYDGX-OAQYLSRUSA-N 1 2 454.619 3.177 20 0 JGADLO Cc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001304329201 1067377629 /nfs/dbraw/zinc/37/76/29/1067377629.db2.gz CAQXMCUGRZYDGX-OAQYLSRUSA-N 1 2 454.619 3.177 20 0 JGADLO CSCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001302787352 1067378994 /nfs/dbraw/zinc/37/89/94/1067378994.db2.gz DQSRPSXEBVPBPB-YADHBBJMSA-N 1 2 459.660 3.353 20 0 JGADLO CSCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001302787350 1067379009 /nfs/dbraw/zinc/37/90/09/1067379009.db2.gz DQSRPSXEBVPBPB-FGZHOGPDSA-N 1 2 459.660 3.353 20 0 JGADLO CSCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001302788877 1067380112 /nfs/dbraw/zinc/38/01/12/1067380112.db2.gz KGVFOIVAAGELCL-FQEVSTJZSA-N 1 2 492.715 3.049 20 0 JGADLO Cc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)o1 ZINC001304344050 1067386936 /nfs/dbraw/zinc/38/69/36/1067386936.db2.gz JMBQNNPCAIKPJG-YSIASYRMSA-N 1 2 488.633 3.307 20 0 JGADLO Cc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)o1 ZINC001304344050 1067386947 /nfs/dbraw/zinc/38/69/47/1067386947.db2.gz JMBQNNPCAIKPJG-YSIASYRMSA-N 1 2 488.633 3.307 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001304377867 1067420807 /nfs/dbraw/zinc/42/08/07/1067420807.db2.gz KAWCWGCCUPDJPW-PMACEKPBSA-N 1 2 454.619 3.350 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001304377867 1067420810 /nfs/dbraw/zinc/42/08/10/1067420810.db2.gz KAWCWGCCUPDJPW-PMACEKPBSA-N 1 2 454.619 3.350 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H]3CCSC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001304379272 1067423931 /nfs/dbraw/zinc/42/39/31/1067423931.db2.gz QSYLQTCZSARUDM-FGZHOGPDSA-N 1 2 486.686 3.446 20 0 JGADLO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1F ZINC001302850703 1067435181 /nfs/dbraw/zinc/43/51/81/1067435181.db2.gz RMZCYSIVUUSIGB-AYOQOUSVSA-N 1 2 461.563 3.039 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCCCCO)cc1C ZINC001304385305 1067437629 /nfs/dbraw/zinc/43/76/29/1067437629.db2.gz ZJQZGPQGSCGVSY-UHFFFAOYSA-N 1 2 463.586 3.031 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCS[C@@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001304386470 1067440999 /nfs/dbraw/zinc/44/09/99/1067440999.db2.gz KJBFFCXKUUJNKH-IBGZPJMESA-N 1 2 472.659 3.200 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCS[C@@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001304386470 1067441003 /nfs/dbraw/zinc/44/10/03/1067441003.db2.gz KJBFFCXKUUJNKH-IBGZPJMESA-N 1 2 472.659 3.200 20 0 JGADLO CC(C)Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001302874823 1067457905 /nfs/dbraw/zinc/45/79/05/1067457905.db2.gz CHDYPNNDWMDYNV-SFHVURJKSA-N 1 2 475.519 3.215 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1C ZINC001304423984 1067500873 /nfs/dbraw/zinc/50/08/73/1067500873.db2.gz CHKQQOZPLZZQRO-JTHBVZDNSA-N 1 2 457.619 3.056 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001304425601 1067503423 /nfs/dbraw/zinc/50/34/23/1067503423.db2.gz RHSHDIKBVCKGPX-IFMALSPDSA-N 1 2 457.619 3.138 20 0 JGADLO CC(C)Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001302931718 1067507121 /nfs/dbraw/zinc/50/71/21/1067507121.db2.gz JQJBVUISHZTKQY-XMMPIXPASA-N 1 2 482.673 3.072 20 0 JGADLO CC(C)Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001302931718 1067507130 /nfs/dbraw/zinc/50/71/30/1067507130.db2.gz JQJBVUISHZTKQY-XMMPIXPASA-N 1 2 482.673 3.072 20 0 JGADLO FC(F)(F)CO[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCCNc2cccc[nH+]2)C1 ZINC001302938409 1067512093 /nfs/dbraw/zinc/51/20/93/1067512093.db2.gz SMZNIMRNRVKIML-IRXDYDNUSA-N 1 2 454.497 3.227 20 0 JGADLO FC(F)(F)CO[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCNc2cccc[nH+]2)C1 ZINC001302938410 1067512197 /nfs/dbraw/zinc/51/21/97/1067512197.db2.gz SMZNIMRNRVKIML-SJORKVTESA-N 1 2 454.497 3.227 20 0 JGADLO Cc1ccc(SCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC001304438185 1067517901 /nfs/dbraw/zinc/51/79/01/1067517901.db2.gz WIOYYOHLINQMPK-OAQYLSRUSA-N 1 2 491.727 3.482 20 0 JGADLO FC(F)COCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001302949517 1067523170 /nfs/dbraw/zinc/52/31/70/1067523170.db2.gz YSTDEFQRQUBMMV-UHFFFAOYSA-N 1 2 463.920 3.387 20 0 JGADLO Cc1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001304443384 1067525362 /nfs/dbraw/zinc/52/53/62/1067525362.db2.gz TYCDKSAIRZUVDC-FFZOFVMBSA-N 1 2 453.509 3.124 20 0 JGADLO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001304443353 1067525425 /nfs/dbraw/zinc/52/54/25/1067525425.db2.gz SHRXOTVZHQSBLC-NZQKXSOJSA-N 1 2 484.645 3.414 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCC[C@H]1CCCCO1 ZINC001302965347 1067535376 /nfs/dbraw/zinc/53/53/76/1067535376.db2.gz RHGPQJQNRGKXOY-DNQXCXABSA-N 1 2 476.710 3.057 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1cc(F)ccc1F ZINC001302965725 1067535811 /nfs/dbraw/zinc/53/58/11/1067535811.db2.gz ULTDBTYIBUCBHA-JOCHJYFZSA-N 1 2 476.616 3.034 20 0 JGADLO C[C@H](NS(=O)(=O)c1cccc(C(=O)NCCCN(C)c2cccc[nH+]2)c1)c1ccccc1 ZINC001302975282 1067541698 /nfs/dbraw/zinc/54/16/98/1067541698.db2.gz QHXDETWFCJQUFC-IBGZPJMESA-N 1 2 452.580 3.377 20 0 JGADLO Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@H](c2ccsc2)[NH+](C)C)n1 ZINC001304464798 1067542863 /nfs/dbraw/zinc/54/28/63/1067542863.db2.gz USOXZENKDIPDRE-HXUWFJFHSA-N 1 2 474.656 3.026 20 0 JGADLO CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001302993979 1067554957 /nfs/dbraw/zinc/55/49/57/1067554957.db2.gz KOHLZZZPCFLMEE-RCZSKKKRSA-N 1 2 477.650 3.495 20 0 JGADLO Cc1cccc(-c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CCCCOC(C)C)n1 ZINC001304478440 1067557055 /nfs/dbraw/zinc/55/70/55/1067557055.db2.gz IEJKASRIRPYGSA-UHFFFAOYSA-N 1 2 450.591 3.279 20 0 JGADLO Cc1cccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNc2cccc[nH+]2)c1 ZINC001304480952 1067560728 /nfs/dbraw/zinc/56/07/28/1067560728.db2.gz AWWSLHKQDDZUKI-CTNGQTDRSA-N 1 2 483.642 3.435 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)[nH+]1 ZINC001304481955 1067561220 /nfs/dbraw/zinc/56/12/20/1067561220.db2.gz ITWQMKZVKZAQNH-HXUWFJFHSA-N 1 2 475.597 3.150 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC=C(Br)C2)[nH+]1 ZINC001304482118 1067561526 /nfs/dbraw/zinc/56/15/26/1067561526.db2.gz LFHXOVGWZKWZOM-UHFFFAOYSA-N 1 2 459.392 3.339 20 0 JGADLO Cc1cccc(CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCNC(=O)CC2)[nH+]1 ZINC001304482016 1067561733 /nfs/dbraw/zinc/56/17/33/1067561733.db2.gz JHBTUUDARWSOEP-SFHVURJKSA-N 1 2 452.534 3.220 20 0 JGADLO Cc1cccc(CCCn2c(-c3cccc(Cl)c3)nnc2N2CCC(OCC(N)=O)CC2)[nH+]1 ZINC001304482245 1067562068 /nfs/dbraw/zinc/56/20/68/1067562068.db2.gz MJMLMCNVLYBZDL-UHFFFAOYSA-N 1 2 468.989 3.405 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CCCO)CC2)[nH+]1 ZINC001304483076 1067562341 /nfs/dbraw/zinc/56/23/41/1067562341.db2.gz SXZRDDLWHGCWKM-UHFFFAOYSA-N 1 2 463.586 3.251 20 0 JGADLO Cc1cccc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(F)(F)F)CC2)[nH+]1 ZINC001304486103 1067564666 /nfs/dbraw/zinc/56/46/66/1067564666.db2.gz IYNAWHGIPQUCQN-INIZCTEOSA-N 1 2 471.549 3.295 20 0 JGADLO Cc1cccc(CCCn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)[nH+]1 ZINC001304486400 1067564978 /nfs/dbraw/zinc/56/49/78/1067564978.db2.gz LMRTZNDSCRIBCQ-FQEVSTJZSA-N 1 2 462.602 3.202 20 0 JGADLO Cc1cccc(CCCn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)[nH+]1 ZINC001304486694 1067565159 /nfs/dbraw/zinc/56/51/59/1067565159.db2.gz NWSLLUREGJULFQ-NRFANRHFSA-N 1 2 474.030 3.482 20 0 JGADLO Cc1cccc(CCCn2c(Cc3ccccn3)nnc2N(C)Cc2ccc(C(N)=O)cc2)[nH+]1 ZINC001304487247 1067565619 /nfs/dbraw/zinc/56/56/19/1067565619.db2.gz WFBVYZJGHSSPNY-UHFFFAOYSA-N 1 2 455.566 3.335 20 0 JGADLO Cc1cccc(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001304487063 1067565651 /nfs/dbraw/zinc/56/56/51/1067565651.db2.gz RPRSBXZUARPLLU-WOJBJXKFSA-N 1 2 483.617 3.011 20 0 JGADLO Cc1cccc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccccc2F)[nH+]1 ZINC001304487289 1067566053 /nfs/dbraw/zinc/56/60/53/1067566053.db2.gz WLMKNKHBAXJGOH-IBGZPJMESA-N 1 2 487.601 3.171 20 0 JGADLO Cc1cccc(CCCn2c(CCOc3ccccc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)[nH+]1 ZINC001304488315 1067566783 /nfs/dbraw/zinc/56/67/83/1067566783.db2.gz FSMQRXZBARUGKW-QHCPKHFHSA-N 1 2 483.638 3.249 20 0 JGADLO Cc1cccc(CCCn2c(COc3ccccc3F)nnc2N2CCC[C@@H](C(N)=O)C2)[nH+]1 ZINC001304489469 1067568103 /nfs/dbraw/zinc/56/81/03/1067568103.db2.gz ZZVYIFNBBUDZHJ-GOSISDBHSA-N 1 2 452.534 3.034 20 0 JGADLO CC(C)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001303021278 1067573226 /nfs/dbraw/zinc/57/32/26/1067573226.db2.gz LIBRLAVENALJLA-UHFFFAOYSA-N 1 2 492.466 3.216 20 0 JGADLO CC(C)CC[C@](C)(O)Cn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303023182 1067575636 /nfs/dbraw/zinc/57/56/36/1067575636.db2.gz UPZXBKZQTIJSEL-UIOOFZCWSA-N 1 2 486.661 3.228 20 0 JGADLO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(S(C)(=O)=O)CCC2)c1 ZINC001304511693 1067587537 /nfs/dbraw/zinc/58/75/37/1067587537.db2.gz SBMKJNJSMZXSMP-UHFFFAOYSA-N 1 2 475.659 3.053 20 0 JGADLO Cc1ccccc1[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001304519565 1067595223 /nfs/dbraw/zinc/59/52/23/1067595223.db2.gz JWSJXDJGCKCBIP-FQEVSTJZSA-N 1 2 454.619 3.131 20 0 JGADLO Cc1ccccc1[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001304519565 1067595227 /nfs/dbraw/zinc/59/52/27/1067595227.db2.gz JWSJXDJGCKCBIP-FQEVSTJZSA-N 1 2 454.619 3.131 20 0 JGADLO Cc1ccccc1-c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001304522025 1067596761 /nfs/dbraw/zinc/59/67/61/1067596761.db2.gz MVYDEGRFQYDYMP-PXNSSMCTSA-N 1 2 461.657 3.487 20 0 JGADLO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001304522951 1067597585 /nfs/dbraw/zinc/59/75/85/1067597585.db2.gz XRYBNEQZYQJUOL-ICSRJNTNSA-N 1 2 468.627 3.195 20 0 JGADLO Cc1ccccc1-c1nnc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)n1CCSCC(F)(F)F ZINC001304536474 1067606972 /nfs/dbraw/zinc/60/69/72/1067606972.db2.gz CDKUDCHQGNBQDQ-KRWDZBQOSA-N 1 2 496.603 3.338 20 0 JGADLO Cc1ccccc1Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001304548738 1067617676 /nfs/dbraw/zinc/61/76/76/1067617676.db2.gz ZXZNHKPVACGOHD-LEWJYISDSA-N 1 2 473.668 3.165 20 0 JGADLO Cc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001304571334 1067639501 /nfs/dbraw/zinc/63/95/01/1067639501.db2.gz ZADCPHOZJXXWGJ-UHFFFAOYSA-N 1 2 459.660 3.075 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@@H](C)Oc3ccc(F)cc3)nnc1N(C)[C@H](C)CC(N)=O)CCC2 ZINC001304606345 1067673121 /nfs/dbraw/zinc/67/31/21/1067673121.db2.gz IEVUFPXGEINHBH-KURKYZTESA-N 1 2 469.565 3.340 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@@H](C)Oc3ccc(F)cc3)nnc1N(C)[C@@H](C)CC(N)=O)CCC2 ZINC001304606344 1067673201 /nfs/dbraw/zinc/67/32/01/1067673201.db2.gz IEVUFPXGEINHBH-KSZLIROESA-N 1 2 469.565 3.340 20 0 JGADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(COc3ccccc3F)nnc1N(C)CC(=O)NC(C)C)CCC2 ZINC001304609110 1067676576 /nfs/dbraw/zinc/67/65/76/1067676576.db2.gz QTMLHPZHUYYINS-GOSISDBHSA-N 1 2 469.565 3.040 20 0 JGADLO Cc1cnc([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304612963 1067680395 /nfs/dbraw/zinc/68/03/95/1067680395.db2.gz IJFVVZHEKRZAMO-KRWDZBQOSA-N 1 2 458.607 3.345 20 0 JGADLO Cc1csc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(N(C)C)[nH+]c3)C2)n1 ZINC001304617564 1067685481 /nfs/dbraw/zinc/68/54/81/1067685481.db2.gz BHEWEMBNPHVERF-SFHVURJKSA-N 1 2 468.631 3.075 20 0 JGADLO COc1cccc([C@H]2CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2(C)C)c1 ZINC001303170759 1067704134 /nfs/dbraw/zinc/70/41/34/1067704134.db2.gz VMXUDFMKYQTEPA-JOCHJYFZSA-N 1 2 450.583 3.314 20 0 JGADLO Cc1nc(Cc2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2CC(C)(C)C(C)C)cs1 ZINC001304672863 1067742111 /nfs/dbraw/zinc/74/21/11/1067742111.db2.gz IJNCZPHFHXCMRH-LJQANCHMSA-N 1 2 487.718 3.449 20 0 JGADLO CC(C)CO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001303230143 1067764759 /nfs/dbraw/zinc/76/47/59/1067764759.db2.gz JZJNDBUASQGVJX-DENIHFKCSA-N 1 2 462.038 3.494 20 0 JGADLO CC(C)CO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001303230143 1067764767 /nfs/dbraw/zinc/76/47/67/1067764767.db2.gz JZJNDBUASQGVJX-DENIHFKCSA-N 1 2 462.038 3.494 20 0 JGADLO CC(C)CO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001303230566 1067765039 /nfs/dbraw/zinc/76/50/39/1067765039.db2.gz REPBRRKNEDCPJO-RTBURBONSA-N 1 2 463.573 3.119 20 0 JGADLO Cc1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)s1 ZINC001304692919 1067766138 /nfs/dbraw/zinc/76/61/38/1067766138.db2.gz JWLVLAUWXQUSKD-XLIONFOSSA-N 1 2 492.646 3.024 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CC(C)C)n3CCOc3ccc(F)c(F)c3)CC2)cc[nH+]1 ZINC001304701274 1067772349 /nfs/dbraw/zinc/77/23/49/1067772349.db2.gz CZEGKIPRDGAEEB-UHFFFAOYSA-N 1 2 457.529 3.259 20 0 JGADLO Cc1ccc(-c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CC(F)(F)Br)o1 ZINC001304701729 1067772718 /nfs/dbraw/zinc/77/27/18/1067772718.db2.gz JNTHFELGNUWLTD-UHFFFAOYSA-N 1 2 468.306 3.259 20 0 JGADLO Cc1nc(N2CCN(c3nnc([C@H]4CCCCO4)n3CCSCC(F)(F)F)CC2)cc[nH+]1 ZINC001304701951 1067773651 /nfs/dbraw/zinc/77/36/51/1067773651.db2.gz OGXVQGQXRDERPD-MRXNPFEDSA-N 1 2 471.553 3.240 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CC(C)(C)O)c1C ZINC001304702637 1067774891 /nfs/dbraw/zinc/77/48/91/1067774891.db2.gz WXFWPNVWLVQRPG-LJQANCHMSA-N 1 2 465.602 3.231 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001304736452 1067810722 /nfs/dbraw/zinc/81/07/22/1067810722.db2.gz KYEGQTVFOSSISP-MOPGFXCFSA-N 1 2 473.572 3.336 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001304743203 1067820895 /nfs/dbraw/zinc/82/08/95/1067820895.db2.gz JFHISCNHWZJGMG-LJQANCHMSA-N 1 2 458.010 3.150 20 0 JGADLO COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c1 ZINC001303306765 1067835135 /nfs/dbraw/zinc/83/51/35/1067835135.db2.gz RMSGKWBDQNFVKR-YADHBBJMSA-N 1 2 457.546 3.443 20 0 JGADLO CC(C)[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001303317019 1067844843 /nfs/dbraw/zinc/84/48/43/1067844843.db2.gz MUYADDKWMYLRJE-QGZVFWFLSA-N 1 2 484.091 3.189 20 0 JGADLO CC(C)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCCS(=O)(=O)Cc2ccccc2)CC1 ZINC001303317641 1067846372 /nfs/dbraw/zinc/84/63/72/1067846372.db2.gz RVEZFPKUBVGLJJ-UHFFFAOYSA-N 1 2 461.676 3.402 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCSC3)CC2)C1 ZINC001303318062 1067848579 /nfs/dbraw/zinc/84/85/79/1067848579.db2.gz ICRZKIOCMQOVQL-FGZHOGPDSA-N 1 2 478.751 3.241 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001303324065 1067852873 /nfs/dbraw/zinc/85/28/73/1067852873.db2.gz LANGUPSTUFKERK-GHTZIAJQSA-N 1 2 460.598 3.110 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001303337750 1067867319 /nfs/dbraw/zinc/86/73/19/1067867319.db2.gz UKUTYVXWNAXBQM-GGAORHGYSA-N 1 2 466.630 3.110 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001303337750 1067867328 /nfs/dbraw/zinc/86/73/28/1067867328.db2.gz UKUTYVXWNAXBQM-GGAORHGYSA-N 1 2 466.630 3.110 20 0 JGADLO CC(C)NC(=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001303343823 1067872319 /nfs/dbraw/zinc/87/23/19/1067872319.db2.gz WFBOKDLTKFGZPK-QFIPXVFZSA-N 1 2 472.609 3.081 20 0 JGADLO Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001304822352 1067892451 /nfs/dbraw/zinc/89/24/51/1067892451.db2.gz DNYNLBMZGMFOAE-FQEVSTJZSA-N 1 2 455.607 3.466 20 0 JGADLO Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001304849964 1067903714 /nfs/dbraw/zinc/90/37/14/1067903714.db2.gz LDXKPRPBQVXTKZ-IBGZPJMESA-N 1 2 460.554 3.192 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CC1(C)CCOCC1 ZINC001303408121 1067934838 /nfs/dbraw/zinc/93/48/38/1067934838.db2.gz MOVCQQRUDOZONG-UHFFFAOYSA-N 1 2 475.037 3.209 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCCNC(=O)OC(C)(C)C)CC2)on1 ZINC001304900379 1067944095 /nfs/dbraw/zinc/94/40/95/1067944095.db2.gz PWFUKGBYWRZZJT-UHFFFAOYSA-N 1 2 461.611 3.109 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4cccc(C)n4)n3CCCOCC(C)C)CC2)on1 ZINC001304900696 1067944179 /nfs/dbraw/zinc/94/41/79/1067944179.db2.gz SXTPUTKQCSAKPW-UHFFFAOYSA-N 1 2 453.591 3.330 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4ccc(C)c(Br)c4)n3CC(C)(C)O)CC2)on1 ZINC001304900961 1067944604 /nfs/dbraw/zinc/94/46/04/1067944604.db2.gz WMDSCJXZPCXAQM-UHFFFAOYSA-N 1 2 489.418 3.406 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(Cc4c(F)cccc4F)n3CCCOC(F)F)CC2)on1 ZINC001304901678 1067945233 /nfs/dbraw/zinc/94/52/33/1067945233.db2.gz IZRWFVYGZXKVTN-UHFFFAOYSA-N 1 2 482.482 3.395 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001303421595 1067947283 /nfs/dbraw/zinc/94/72/83/1067947283.db2.gz VJJCDWRCVHEKID-ZWKOTPCHSA-N 1 2 457.648 3.180 20 0 JGADLO COc1cccc(O)c1C(=O)NCc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001303493581 1068019131 /nfs/dbraw/zinc/01/91/31/1068019131.db2.gz QEXBPIHUZNTTRH-UHFFFAOYSA-N 1 2 455.555 3.384 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC(C)(C)[NH+]2CCOCC2)CCOC1 ZINC001303493912 1068019488 /nfs/dbraw/zinc/01/94/88/1068019488.db2.gz IVMSSCWYDPLTMS-CPJSRVTESA-N 1 2 463.667 3.302 20 0 JGADLO COC(=O)c1cc2nc(NC(=O)Cc3ccc(-n4cc[nH+]c4)cc3)[nH]c2c(Br)c1 ZINC001304987501 1068030397 /nfs/dbraw/zinc/03/03/97/1068030397.db2.gz WAAUESJBFUHGEW-UHFFFAOYSA-N 1 2 454.284 3.479 20 0 JGADLO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3nnc(C(C)(C)C)n3CCCNc3cccc[nH+]3)CC2)C1 ZINC001304996142 1068038852 /nfs/dbraw/zinc/03/88/52/1068038852.db2.gz NCMAEXLJLQBNRV-YADHBBJMSA-N 1 2 496.704 3.290 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CCO[C@H](C)C3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCOC1 ZINC001303507654 1068041836 /nfs/dbraw/zinc/04/18/36/1068041836.db2.gz WPZXDULWEUATLC-VWQFJMCTSA-N 1 2 479.572 3.125 20 0 JGADLO C[C@@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001305009566 1068050629 /nfs/dbraw/zinc/05/06/29/1068050629.db2.gz XRUMRUPEIBIEJL-GOSISDBHSA-N 1 2 468.627 3.484 20 0 JGADLO CC(C)OC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001303524954 1068055291 /nfs/dbraw/zinc/05/52/91/1068055291.db2.gz WKIKKKBBUGCENS-KNQAVFIVSA-N 1 2 493.649 3.016 20 0 JGADLO CC(C)OCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001303561823 1068085454 /nfs/dbraw/zinc/08/54/54/1068085454.db2.gz YAYUTNZJDXVSFK-LJQANCHMSA-N 1 2 475.037 3.156 20 0 JGADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303595590 1068117208 /nfs/dbraw/zinc/11/72/08/1068117208.db2.gz DWTRVMFBQHLHNV-GOSISDBHSA-N 1 2 493.637 3.394 20 0 JGADLO CC(C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001303596214 1068119369 /nfs/dbraw/zinc/11/93/69/1068119369.db2.gz MVKQENZAKVXVMG-MZNJEOGPSA-N 1 2 473.572 3.247 20 0 JGADLO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303600205 1068127866 /nfs/dbraw/zinc/12/78/66/1068127866.db2.gz HQNVQTMUQYDDSS-TXULOHPCSA-N 1 2 478.626 3.123 20 0 JGADLO C[C@H](CC(N)=O)N(C)c1nnc(COc2ccccc2F)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305065481 1068137514 /nfs/dbraw/zinc/13/75/14/1068137514.db2.gz HESXNNHXDTXBRX-LJQANCHMSA-N 1 2 495.603 3.376 20 0 JGADLO CC(C)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305066006 1068138025 /nfs/dbraw/zinc/13/80/25/1068138025.db2.gz KKKMNZNCCOJRDD-KDURUIRLSA-N 1 2 471.675 3.426 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C)CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305068583 1068142338 /nfs/dbraw/zinc/14/23/38/1068142338.db2.gz ZMFORBVBWARFPD-IBGZPJMESA-N 1 2 489.690 3.194 20 0 JGADLO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001303631643 1068162616 /nfs/dbraw/zinc/16/26/16/1068162616.db2.gz XCBVNBHPMHXYAE-YFWNDERMSA-N 1 2 465.689 3.274 20 0 JGADLO C[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305113775 1068190514 /nfs/dbraw/zinc/19/05/14/1068190514.db2.gz PWBYHEPDMOLYJL-VNTMZGSJSA-N 1 2 489.686 3.471 20 0 JGADLO C[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305113775 1068190517 /nfs/dbraw/zinc/19/05/17/1068190517.db2.gz PWBYHEPDMOLYJL-VNTMZGSJSA-N 1 2 489.686 3.471 20 0 JGADLO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001303672388 1068208058 /nfs/dbraw/zinc/20/80/58/1068208058.db2.gz SCPOFRBHUBOJGA-IBGZPJMESA-N 1 2 464.655 3.207 20 0 JGADLO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)OC1CCCC1)[NH+]1CCOCC1 ZINC001303692308 1068233533 /nfs/dbraw/zinc/23/35/33/1068233533.db2.gz UTANHPFNQZMIMA-HNNXBMFYSA-N 1 2 467.412 3.077 20 0 JGADLO C[C@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001303714529 1068260944 /nfs/dbraw/zinc/26/09/44/1068260944.db2.gz XHYSHTJYGJEFMB-RTBURBONSA-N 1 2 462.639 3.102 20 0 JGADLO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001303714528 1068261023 /nfs/dbraw/zinc/26/10/23/1068261023.db2.gz XHYSHTJYGJEFMB-RBUKOAKNSA-N 1 2 462.639 3.102 20 0 JGADLO C[C@H]1CN(c2nnc(-c3ccccc3Br)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001305155686 1068264145 /nfs/dbraw/zinc/26/41/45/1068264145.db2.gz STVPSTSINOXWHY-HNNXBMFYSA-N 1 2 457.376 3.442 20 0 JGADLO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1csc(Br)c1)[NH+]1CCOCC1 ZINC001303717960 1068266380 /nfs/dbraw/zinc/26/63/80/1068266380.db2.gz NIJZSOZZMYXKNS-RDJZCZTQSA-N 1 2 484.464 3.353 20 0 JGADLO C[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001303728885 1068284142 /nfs/dbraw/zinc/28/41/42/1068284142.db2.gz WGINKIRDVCVQEU-QGZVFWFLSA-N 1 2 458.969 3.414 20 0 JGADLO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F)[NH+]1CCOCC1 ZINC001303732328 1068288199 /nfs/dbraw/zinc/28/81/99/1068288199.db2.gz UHJNLJIJJHFMAQ-ROUUACIJSA-N 1 2 456.541 3.460 20 0 JGADLO C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303733155 1068289090 /nfs/dbraw/zinc/28/90/90/1068289090.db2.gz QSPOIZXMJVGTER-ICSRJNTNSA-N 1 2 490.674 3.097 20 0 JGADLO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC(C)(C)C1 ZINC001305179373 1068294756 /nfs/dbraw/zinc/29/47/56/1068294756.db2.gz AMDBHGOGNKYBBK-DSKINZAPSA-N 1 2 477.650 3.495 20 0 JGADLO C[C@@H](Cn1c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001303742535 1068301215 /nfs/dbraw/zinc/30/12/15/1068301215.db2.gz ABUVQCMSYAJDAU-IBGZPJMESA-N 1 2 461.054 3.272 20 0 JGADLO C[C@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc[nH]2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001303763694 1068332805 /nfs/dbraw/zinc/33/28/05/1068332805.db2.gz ZHIVEGWEDMCOFC-QGZVFWFLSA-N 1 2 480.617 3.458 20 0 JGADLO C[C@@H]1COCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001305222667 1068363330 /nfs/dbraw/zinc/36/33/30/1068363330.db2.gz LYGCTDLHMZAFPV-MJGOQNOKSA-N 1 2 478.435 3.149 20 0 JGADLO C[C@H]1COCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001305222670 1068363354 /nfs/dbraw/zinc/36/33/54/1068363354.db2.gz LYGCTDLHMZAFPV-PKOBYXMFSA-N 1 2 478.435 3.149 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001305233779 1068380490 /nfs/dbraw/zinc/38/04/90/1068380490.db2.gz FIXATEVKVUTBLA-CVEARBPZSA-N 1 2 484.464 3.353 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001305233779 1068380495 /nfs/dbraw/zinc/38/04/95/1068380495.db2.gz FIXATEVKVUTBLA-CVEARBPZSA-N 1 2 484.464 3.353 20 0 JGADLO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305233888 1068380691 /nfs/dbraw/zinc/38/06/91/1068380691.db2.gz HEEWIEZFUMDGFI-IAGOWNOFSA-N 1 2 486.617 3.234 20 0 JGADLO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305233888 1068380710 /nfs/dbraw/zinc/38/07/10/1068380710.db2.gz HEEWIEZFUMDGFI-IAGOWNOFSA-N 1 2 486.617 3.234 20 0 JGADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001305233780 1068381064 /nfs/dbraw/zinc/38/10/64/1068381064.db2.gz FIXATEVKVUTBLA-HOTGVXAUSA-N 1 2 484.464 3.353 20 0 JGADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001305233780 1068381076 /nfs/dbraw/zinc/38/10/76/1068381076.db2.gz FIXATEVKVUTBLA-HOTGVXAUSA-N 1 2 484.464 3.353 20 0 JGADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001305234227 1068382326 /nfs/dbraw/zinc/38/23/26/1068382326.db2.gz MNJSXHOKQRRITF-DOTOQJQBSA-N 1 2 471.499 3.297 20 0 JGADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001305234227 1068382346 /nfs/dbraw/zinc/38/23/46/1068382346.db2.gz MNJSXHOKQRRITF-DOTOQJQBSA-N 1 2 471.499 3.297 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CCC2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001305234470 1068383612 /nfs/dbraw/zinc/38/36/12/1068383612.db2.gz QTVXKKVMAYVXSR-OAHLLOKOSA-N 1 2 484.464 3.089 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CCC2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001305234470 1068383628 /nfs/dbraw/zinc/38/36/28/1068383628.db2.gz QTVXKKVMAYVXSR-OAHLLOKOSA-N 1 2 484.464 3.089 20 0 JGADLO C[C@H]1N(c2nnc(C(C)(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)CCOC1(C)C ZINC001305242001 1068392750 /nfs/dbraw/zinc/39/27/50/1068392750.db2.gz WIFDJRJAMAEFGR-OAQYLSRUSA-N 1 2 454.663 3.397 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1CCc1cn2ccccc2[nH+]1 ZINC001303803790 1068403224 /nfs/dbraw/zinc/40/32/24/1068403224.db2.gz PGYKWTWRXASTRB-IAGOWNOFSA-N 1 2 485.589 3.115 20 0 JGADLO CCC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001305263971 1068439752 /nfs/dbraw/zinc/43/97/52/1068439752.db2.gz HMXIDVWKMYUFKD-GOTSBHOMSA-N 1 2 468.646 3.045 20 0 JGADLO CC[C@](C)(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305313033 1068525126 /nfs/dbraw/zinc/52/51/26/1068525126.db2.gz ORHZWJFPUWDZNI-QHCPKHFHSA-N 1 2 456.978 3.393 20 0 JGADLO CC[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305314064 1068526929 /nfs/dbraw/zinc/52/69/29/1068526929.db2.gz QXYMFXYPAOODMN-VWLOTQADSA-N 1 2 450.587 3.357 20 0 JGADLO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001305326422 1068548838 /nfs/dbraw/zinc/54/88/38/1068548838.db2.gz MAAPGDUYANDBBT-SBUREZEXSA-N 1 2 455.632 3.224 20 0 JGADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1CCOCC1 ZINC001303906634 1068552695 /nfs/dbraw/zinc/55/26/95/1068552695.db2.gz LQKIXHFUBQQKOV-GOSISDBHSA-N 1 2 464.010 3.267 20 0 JGADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)Cc2cnccn2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001303907015 1068553246 /nfs/dbraw/zinc/55/32/46/1068553246.db2.gz PVYGAUVDNLMMFG-ZWKOTPCHSA-N 1 2 471.993 3.219 20 0 JGADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001303907092 1068553898 /nfs/dbraw/zinc/55/38/98/1068553898.db2.gz QLOYNIZEEZNTFR-LPHOPBHVSA-N 1 2 485.963 3.264 20 0 JGADLO CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001305334955 1068565332 /nfs/dbraw/zinc/56/53/32/1068565332.db2.gz JRRAQWNQEZPXJG-GAJHUEQPSA-N 1 2 455.632 3.153 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cnccn2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303916633 1068568617 /nfs/dbraw/zinc/56/86/17/1068568617.db2.gz LGYGUIXVDCQTKA-GOSISDBHSA-N 1 2 469.565 3.094 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)Cc2cnn(C)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303916481 1068568810 /nfs/dbraw/zinc/56/88/10/1068568810.db2.gz JCCXEJDQMUQXRG-GOSISDBHSA-N 1 2 471.581 3.038 20 0 JGADLO CC[C@@H](C)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)OC ZINC001305337707 1068570894 /nfs/dbraw/zinc/57/08/94/1068570894.db2.gz BLPYWUZIHLBOML-NQIIRXRSSA-N 1 2 477.053 3.453 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)CCn2cccn2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303921020 1068571921 /nfs/dbraw/zinc/57/19/21/1068571921.db2.gz BPYNNUQAFMOBOQ-IBGZPJMESA-N 1 2 471.581 3.001 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)CCn2cccn2)n1CC[N@H+]1CCOCC1(C)C ZINC001303921020 1068571928 /nfs/dbraw/zinc/57/19/28/1068571928.db2.gz BPYNNUQAFMOBOQ-IBGZPJMESA-N 1 2 471.581 3.001 20 0 JGADLO C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)CC1CCOCC1)[NH+]1CCOCC1 ZINC001303921059 1068572322 /nfs/dbraw/zinc/57/23/22/1068572322.db2.gz COPIJLXMADHIPS-OALUTQOASA-N 1 2 461.582 3.141 20 0 JGADLO CC[C@H](C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001305368954 1068624142 /nfs/dbraw/zinc/62/41/42/1068624142.db2.gz KFEVNLRQLJYXCD-JXFKEZNVSA-N 1 2 498.644 3.233 20 0 JGADLO CC[C@H](C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305372493 1068626792 /nfs/dbraw/zinc/62/67/92/1068626792.db2.gz WPQXRTVBUGYGEB-OALUTQOASA-N 1 2 464.655 3.348 20 0 JGADLO CC[C@H](C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305372493 1068626798 /nfs/dbraw/zinc/62/67/98/1068626798.db2.gz WPQXRTVBUGYGEB-OALUTQOASA-N 1 2 464.655 3.348 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2ccc(OC)c(O)c2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305379354 1068631617 /nfs/dbraw/zinc/63/16/17/1068631617.db2.gz DRDMWAPSINSJLL-GOSISDBHSA-N 1 2 466.586 3.422 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305424064 1068659393 /nfs/dbraw/zinc/65/93/93/1068659393.db2.gz CFKYWUYDUJRSGT-SJLPKXTDSA-N 1 2 459.557 3.496 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001305453321 1068690172 /nfs/dbraw/zinc/69/01/72/1068690172.db2.gz OUWYFLFETJGEFJ-PKOBYXMFSA-N 1 2 477.679 3.124 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305464645 1068708081 /nfs/dbraw/zinc/70/80/81/1068708081.db2.gz WMFAFKVQSCIPSQ-SJORKVTESA-N 1 2 464.014 3.004 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(OCc3ccccc3F)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305464941 1068708807 /nfs/dbraw/zinc/70/88/07/1068708807.db2.gz UYFSUZSFKYUOGQ-HXUWFJFHSA-N 1 2 486.636 3.280 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001305469605 1068712273 /nfs/dbraw/zinc/71/22/73/1068712273.db2.gz SYCXRUANDZVESS-SFHVURJKSA-N 1 2 460.648 3.239 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305485514 1068722450 /nfs/dbraw/zinc/72/24/50/1068722450.db2.gz JQNSNCFHKHYOFO-XUVXKRRUSA-N 1 2 497.692 3.423 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305485514 1068722467 /nfs/dbraw/zinc/72/24/67/1068722467.db2.gz JQNSNCFHKHYOFO-XUVXKRRUSA-N 1 2 497.692 3.423 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305499854 1068734965 /nfs/dbraw/zinc/73/49/65/1068734965.db2.gz FZDJQWWSTJZQSG-PMACEKPBSA-N 1 2 472.609 3.004 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305499854 1068734970 /nfs/dbraw/zinc/73/49/70/1068734970.db2.gz FZDJQWWSTJZQSG-PMACEKPBSA-N 1 2 472.609 3.004 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305502983 1068737917 /nfs/dbraw/zinc/73/79/17/1068737917.db2.gz WPZCYLKQWRDRDW-LEWJYISDSA-N 1 2 483.661 3.155 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001305513222 1068757313 /nfs/dbraw/zinc/75/73/13/1068757313.db2.gz GIYPYDYLENBOIB-ICSRJNTNSA-N 1 2 456.639 3.458 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C)c(OC)c1 ZINC001305519205 1068769218 /nfs/dbraw/zinc/76/92/18/1068769218.db2.gz QIUIHMVLJPZLIO-CTNGQTDRSA-N 1 2 468.646 3.290 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001305531052 1068787115 /nfs/dbraw/zinc/78/71/15/1068787115.db2.gz CRMLTENVPUNDRC-MSOLQXFVSA-N 1 2 472.638 3.472 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 ZINC001305541162 1068811758 /nfs/dbraw/zinc/81/17/58/1068811758.db2.gz WURGZYVXBFQILB-FPOVZHCZSA-N 1 2 489.064 3.262 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCc1nc(C)c(C)s1 ZINC001305544325 1068820128 /nfs/dbraw/zinc/82/01/28/1068820128.db2.gz OSSPCRJUFWNYLZ-DENIHFKCSA-N 1 2 489.734 3.339 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CC(C)(C)c1ccccn1 ZINC001305545333 1068822923 /nfs/dbraw/zinc/82/29/23/1068822923.db2.gz VRSQXIUURZEKPI-PKTZIBPZSA-N 1 2 483.705 3.396 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1c(C)coc1C ZINC001305545765 1068824265 /nfs/dbraw/zinc/82/42/65/1068824265.db2.gz YOQRGHRXWCYIRL-SIKLNZKXSA-N 1 2 458.651 3.281 20 0 JGADLO CC[C@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001305556401 1068834806 /nfs/dbraw/zinc/83/48/06/1068834806.db2.gz ZBEGPNJMEWANDR-YSIASYRMSA-N 1 2 467.536 3.460 20 0 JGADLO CC[C@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001305556401 1068834824 /nfs/dbraw/zinc/83/48/24/1068834824.db2.gz ZBEGPNJMEWANDR-YSIASYRMSA-N 1 2 467.536 3.460 20 0 JGADLO CC[C@H](C)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001305579710 1068851112 /nfs/dbraw/zinc/85/11/12/1068851112.db2.gz SKDXBCBKAHZAJZ-OYDLWJJNSA-N 1 2 481.707 3.009 20 0 JGADLO CC[C@H](C)CN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c[nH+]ccc1OC ZINC001305580894 1068851788 /nfs/dbraw/zinc/85/17/88/1068851788.db2.gz WHYOQFVTAIYEFZ-INIZCTEOSA-N 1 2 471.631 3.481 20 0 JGADLO CC[C@H](C)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305584415 1068854080 /nfs/dbraw/zinc/85/40/80/1068854080.db2.gz BGTMLVMSFHAYHN-IBGZPJMESA-N 1 2 463.634 3.444 20 0 JGADLO CC[C@H](C)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001305584857 1068854651 /nfs/dbraw/zinc/85/46/51/1068854651.db2.gz JSNZPKPIGNYHAA-VLCRHTCISA-N 1 2 454.619 3.093 20 0 JGADLO CC[C@@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305592735 1068860193 /nfs/dbraw/zinc/86/01/93/1068860193.db2.gz IZUWDICBUKWORL-WOJBJXKFSA-N 1 2 469.634 3.055 20 0 JGADLO CC[C@@H](C)NC(=O)CCn1c(Cc2ccccc2F)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001305638369 1068950781 /nfs/dbraw/zinc/95/07/81/1068950781.db2.gz CPAGQIYMIQNBOI-GOSISDBHSA-N 1 2 479.604 3.337 20 0 JGADLO CC[C@@H](c1nnc(N(C)CCS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccccc1 ZINC001305656344 1068995134 /nfs/dbraw/zinc/99/51/34/1068995134.db2.gz CWXLBFGHQVWXDJ-LEWJYISDSA-N 1 2 470.643 3.383 20 0 JGADLO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC001305657003 1068995712 /nfs/dbraw/zinc/99/57/12/1068995712.db2.gz QZJYRUFHXRLGJB-SHSPXAOASA-N 1 2 482.673 3.424 20 0 JGADLO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC001305657003 1068995721 /nfs/dbraw/zinc/99/57/21/1068995721.db2.gz QZJYRUFHXRLGJB-SHSPXAOASA-N 1 2 482.673 3.424 20 0 JGADLO CC[C@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1CCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001305657598 1068996248 /nfs/dbraw/zinc/99/62/48/1068996248.db2.gz JRMUDQRLMMCHMY-NRFANRHFSA-N 1 2 472.634 3.113 20 0 JGADLO CC[C@@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001305659350 1068999872 /nfs/dbraw/zinc/99/98/72/1068999872.db2.gz QONCQFWPIYMCQK-RBBKRZOGSA-N 1 2 494.606 3.473 20 0 JGADLO CC[C@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H]1CCCCS1(=O)=O)c1ccccc1 ZINC001305673476 1069023929 /nfs/dbraw/zinc/02/39/29/1069023929.db2.gz FAFBRLHNXLVKFA-VXKWHMMOSA-N 1 2 459.660 3.318 20 0 JGADLO CCC(CC)(Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)OC ZINC001305688015 1069050065 /nfs/dbraw/zinc/05/00/65/1069050065.db2.gz IFJWADTVUFNVLE-UHFFFAOYSA-N 1 2 460.598 3.083 20 0 JGADLO CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001305688097 1069050976 /nfs/dbraw/zinc/05/09/76/1069050976.db2.gz UQJATDFOJZDIEY-OAQYLSRUSA-N 1 2 498.672 3.292 20 0 JGADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)CSc2nccn2-c2cccc(Cl)c2C)cc[nH+]1 ZINC001305692626 1069061255 /nfs/dbraw/zinc/06/12/55/1069061255.db2.gz HYEVDZWGYZZJFP-ZWKOTPCHSA-N 1 2 473.002 3.410 20 0 JGADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc[nH+]1 ZINC001305693414 1069063898 /nfs/dbraw/zinc/06/38/98/1069063898.db2.gz PFMTTYRPCRMXOD-CJXUKZFBSA-N 1 2 469.586 3.373 20 0 JGADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc[nH+]1 ZINC001305693415 1069063959 /nfs/dbraw/zinc/06/39/59/1069063959.db2.gz PFMTTYRPCRMXOD-IBHRTIHJSA-N 1 2 469.586 3.373 20 0 JGADLO Cc1c(C(=O)N[C@H]2CCOC[C@H]2Nc2cc[nH+]c(C)n2)cnn1-c1cccc(Br)c1 ZINC001305694423 1069066315 /nfs/dbraw/zinc/06/63/15/1069066315.db2.gz XOWRYKACNWNIKB-RBUKOAKNSA-N 1 2 471.359 3.041 20 0 JGADLO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001305709357 1069104055 /nfs/dbraw/zinc/10/40/55/1069104055.db2.gz CNRIGNQVFLHVOM-JOCHJYFZSA-N 1 2 481.707 3.086 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCSC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001305724436 1069139247 /nfs/dbraw/zinc/13/92/47/1069139247.db2.gz RPYCOBBQQPMRFS-OAQYLSRUSA-N 1 2 467.643 3.431 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001305738550 1069164354 /nfs/dbraw/zinc/16/43/54/1069164354.db2.gz BHCWWWSZLKZANX-QGZVFWFLSA-N 1 2 498.550 3.440 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001305739138 1069166362 /nfs/dbraw/zinc/16/63/62/1069166362.db2.gz FOHQLYOTBFVOLL-MSOLQXFVSA-N 1 2 457.623 3.283 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001305739566 1069167696 /nfs/dbraw/zinc/16/76/96/1069167696.db2.gz ONDGYVZPISGGCH-XYJFISCASA-N 1 2 497.566 3.435 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)O[C@@H](C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001305743967 1069181718 /nfs/dbraw/zinc/18/17/18/1069181718.db2.gz OGJBYXYBABVNLR-TUACAJSNSA-N 1 2 498.672 3.101 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)O[C@@H](C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001305743967 1069181725 /nfs/dbraw/zinc/18/17/25/1069181725.db2.gz OGJBYXYBABVNLR-TUACAJSNSA-N 1 2 498.672 3.101 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001305745519 1069186214 /nfs/dbraw/zinc/18/62/14/1069186214.db2.gz UACTZTCNGCWIOG-HXUWFJFHSA-N 1 2 498.672 3.081 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305747467 1069190992 /nfs/dbraw/zinc/19/09/92/1069190992.db2.gz HNTAHYGYXCTCBZ-XUVXKRRUSA-N 1 2 483.661 3.347 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1c[nH+]ccc1OC ZINC001305760534 1069225195 /nfs/dbraw/zinc/22/51/95/1069225195.db2.gz ZJCSPBYIBUDYDN-UHFFFAOYSA-N 1 2 458.607 3.432 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1CCCNc1cccc[nH+]1 ZINC001305760594 1069225495 /nfs/dbraw/zinc/22/54/95/1069225495.db2.gz KGYKSXKBEVWELX-HSZRJFAPSA-N 1 2 457.648 3.427 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(OC)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001305766452 1069237707 /nfs/dbraw/zinc/23/77/07/1069237707.db2.gz HNFMXCAIHCQCSJ-HHHXNRCGSA-N 1 2 498.672 3.082 20 0 JGADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)c(Cc4ccc(Cl)cc4)c(C)n3)CC2)C1=O ZINC001164644644 719283929 /nfs/dbraw/zinc/28/39/29/719283929.db2.gz NUJSBKZENUGKCX-UHFFFAOYSA-N 1 2 472.033 3.097 20 0 JGADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)c(Cc4ccc(Cl)cc4)c(C)n3)CC2)C1=O ZINC001164644644 719283933 /nfs/dbraw/zinc/28/39/33/719283933.db2.gz NUJSBKZENUGKCX-UHFFFAOYSA-N 1 2 472.033 3.097 20 0 JGADLO Cc1noc([C@@H]2C[C@@H]3CCN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3O2)n1 ZINC001164647892 719299515 /nfs/dbraw/zinc/29/95/15/719299515.db2.gz FFRGZOQWPRRWNG-XWGVYQGASA-N 1 2 488.592 3.088 20 0 JGADLO COc1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc(N2CCCCCC2)n1 ZINC001164673937 719521284 /nfs/dbraw/zinc/52/12/84/719521284.db2.gz UKJJPIFXHVCKBL-UHFFFAOYSA-N 1 2 470.593 3.271 20 0 JGADLO COc1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc(N2CCCCCC2)n1 ZINC001164673937 719521293 /nfs/dbraw/zinc/52/12/93/719521293.db2.gz UKJJPIFXHVCKBL-UHFFFAOYSA-N 1 2 470.593 3.271 20 0 JGADLO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)nc4[nH]cnc43)CC2)c2ccccc21 ZINC001164680967 719656330 /nfs/dbraw/zinc/65/63/30/719656330.db2.gz KEFZZWUTUZWBDT-MRXNPFEDSA-N 1 2 468.005 3.100 20 0 JGADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN([C@H](F)Oc3ccc(Cl)nn3)CC2)cc1 ZINC001164696324 719830481 /nfs/dbraw/zinc/83/04/81/719830481.db2.gz IBJCWINJKXQIOE-NRFANRHFSA-N 1 2 456.909 3.162 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)Nc2ccc(Cl)nc2)ccc1F ZINC001164701422 719854686 /nfs/dbraw/zinc/85/46/86/719854686.db2.gz KMUQVTAKMARRPW-HOYKHHGWSA-N 1 2 490.963 3.359 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2cnc(Cl)nc2c1 ZINC001164701942 719859647 /nfs/dbraw/zinc/85/96/47/719859647.db2.gz MGCFESAOSQDNSA-OXQOHEQNSA-N 1 2 454.905 3.061 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(-c3cccs3)no2)ccn1 ZINC001164699981 719873886 /nfs/dbraw/zinc/87/38/86/719873886.db2.gz DEQIDDFTOCYWAZ-SBUREZEXSA-N 1 2 469.567 3.093 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1F ZINC001164704388 719878101 /nfs/dbraw/zinc/87/81/01/719878101.db2.gz WNQPIIDKSOLGRK-IVZQSRNASA-N 1 2 464.925 3.294 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1C ZINC001164703498 719878392 /nfs/dbraw/zinc/87/83/92/719878392.db2.gz SPRUBKGNCVPNJA-SBUREZEXSA-N 1 2 460.962 3.463 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(OC)c1 ZINC001164697702 719878704 /nfs/dbraw/zinc/87/87/04/719878704.db2.gz DBMDUNGTEIENIJ-QMHKHESXSA-N 1 2 476.961 3.164 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)CC2 ZINC001164708612 719922713 /nfs/dbraw/zinc/92/27/13/719922713.db2.gz NCRMKKNTLOPUMV-UHFFFAOYSA-N 1 2 493.773 3.271 20 0 JGADLO Cc1ccc(-c2nc3ccccc3c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)n2)s1 ZINC001164708095 719927424 /nfs/dbraw/zinc/92/74/24/719927424.db2.gz BYPMRYLQZFDVHY-UHFFFAOYSA-N 1 2 487.633 3.351 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc3c(ccnc3Cl)c1)CC2 ZINC001164708575 719931804 /nfs/dbraw/zinc/93/18/04/719931804.db2.gz LKPVODLVRPMWEG-UHFFFAOYSA-N 1 2 474.943 3.117 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)C2)C1 ZINC001164717863 720226939 /nfs/dbraw/zinc/22/69/39/720226939.db2.gz JUHLQHJDDYPCLU-HXUWFJFHSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)C2)C1 ZINC001164717863 720226951 /nfs/dbraw/zinc/22/69/51/720226951.db2.gz JUHLQHJDDYPCLU-HXUWFJFHSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4cc(Cl)c(Cl)cc4nc3Cl)C2)C1 ZINC001164718995 720231616 /nfs/dbraw/zinc/23/16/16/720231616.db2.gz KABBJUXVJWCGOY-FQEVSTJZSA-N 1 2 472.804 3.255 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4cc(Cl)c(Cl)cc4nc3Cl)C2)C1 ZINC001164718995 720231627 /nfs/dbraw/zinc/23/16/27/720231627.db2.gz KABBJUXVJWCGOY-FQEVSTJZSA-N 1 2 472.804 3.255 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)C2)C1 ZINC001164719717 720255116 /nfs/dbraw/zinc/25/51/16/720255116.db2.gz ODEVKLKVJJTCDH-HXUWFJFHSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)C2)C1 ZINC001164719717 720255132 /nfs/dbraw/zinc/25/51/32/720255132.db2.gz ODEVKLKVJJTCDH-HXUWFJFHSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C2)C1 ZINC001164720632 720290086 /nfs/dbraw/zinc/29/00/86/720290086.db2.gz BLWUGHIEDYZAQE-FQEVSTJZSA-N 1 2 485.988 3.068 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C2)C1 ZINC001164720632 720290095 /nfs/dbraw/zinc/29/00/95/720290095.db2.gz BLWUGHIEDYZAQE-FQEVSTJZSA-N 1 2 485.988 3.068 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)C2)C1 ZINC001164721900 720309281 /nfs/dbraw/zinc/30/92/81/720309281.db2.gz IJZQIAXJXJQASD-QFIPXVFZSA-N 1 2 497.949 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)C2)C1 ZINC001164721900 720309288 /nfs/dbraw/zinc/30/92/88/720309288.db2.gz IJZQIAXJXJQASD-QFIPXVFZSA-N 1 2 497.949 3.146 20 0 JGADLO COC(=O)c1ccc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)c(Cl)n1 ZINC001164725442 720313533 /nfs/dbraw/zinc/31/35/33/720313533.db2.gz VLNKPUOXBLZVRY-MRXNPFEDSA-N 1 2 455.893 3.084 20 0 JGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164721035 720317098 /nfs/dbraw/zinc/31/70/98/720317098.db2.gz CYHQXEOEXXJGEG-MRXNPFEDSA-N 1 2 470.908 3.389 20 0 JGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164725494 720318742 /nfs/dbraw/zinc/31/87/42/720318742.db2.gz WFRRJRDIDNCCHL-CYBMUJFWSA-N 1 2 469.949 3.388 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5sc(C)c(C)c54)CC3)C2=O)cs1 ZINC001164825491 720361984 /nfs/dbraw/zinc/36/19/84/720361984.db2.gz PRRWJGGCRHVKDI-UHFFFAOYSA-N 1 2 456.641 3.386 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5sc(C)c(C)c54)CC3)C2=O)cs1 ZINC001164825491 720361991 /nfs/dbraw/zinc/36/19/91/720361991.db2.gz PRRWJGGCRHVKDI-UHFFFAOYSA-N 1 2 456.641 3.386 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5cc(Cl)ccc54)CC3)C2=O)cs1 ZINC001164824800 720366294 /nfs/dbraw/zinc/36/62/94/720366294.db2.gz MEEKWGDRHLQKFH-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5cc(Cl)ccc54)CC3)C2=O)cs1 ZINC001164824800 720366299 /nfs/dbraw/zinc/36/62/99/720366299.db2.gz MEEKWGDRHLQKFH-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO CCOc1ccc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820006 720372630 /nfs/dbraw/zinc/37/26/30/720372630.db2.gz KGENDYWMGPFPSN-UHFFFAOYSA-N 1 2 450.008 3.212 20 0 JGADLO CCOc1ccc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820006 720372633 /nfs/dbraw/zinc/37/26/33/720372633.db2.gz KGENDYWMGPFPSN-UHFFFAOYSA-N 1 2 450.008 3.212 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc(OCc5ccccc5)cn4)CC3)C2=O)cs1 ZINC001164820723 720376727 /nfs/dbraw/zinc/37/67/27/720376727.db2.gz RDBFMIDNTHQYNX-UHFFFAOYSA-N 1 2 478.622 3.134 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc(OCc5ccccc5)cn4)CC3)C2=O)cs1 ZINC001164820723 720376731 /nfs/dbraw/zinc/37/67/31/720376731.db2.gz RDBFMIDNTHQYNX-UHFFFAOYSA-N 1 2 478.622 3.134 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5nccc(Cl)c5n4)CC3)C2=O)cs1 ZINC001164820290 720378252 /nfs/dbraw/zinc/37/82/52/720378252.db2.gz NIOACKQYJDLQTC-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5nccc(Cl)c5n4)CC3)C2=O)cs1 ZINC001164820290 720378258 /nfs/dbraw/zinc/37/82/58/720378258.db2.gz NIOACKQYJDLQTC-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(-c5ccc(F)cc5)n4)CC3)C2=O)cs1 ZINC001164825188 720384424 /nfs/dbraw/zinc/38/44/24/720384424.db2.gz UMFMOULGRJOHIO-UHFFFAOYSA-N 1 2 466.586 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(-c5ccc(F)cc5)n4)CC3)C2=O)cs1 ZINC001164825188 720384430 /nfs/dbraw/zinc/38/44/30/720384430.db2.gz UMFMOULGRJOHIO-UHFFFAOYSA-N 1 2 466.586 3.361 20 0 JGADLO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)O2)n1 ZINC001164831525 720406576 /nfs/dbraw/zinc/40/65/76/720406576.db2.gz VUZVPORZEGRQSI-SGNDLWITSA-N 1 2 488.592 3.230 20 0 JGADLO Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)O2)n1 ZINC001164831527 720406766 /nfs/dbraw/zinc/40/67/66/720406766.db2.gz VUZVPORZEGRQSI-VXNXHJTFSA-N 1 2 488.592 3.230 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164825783 720448142 /nfs/dbraw/zinc/44/81/42/720448142.db2.gz UWSPPOISOIPGAL-INIZCTEOSA-N 1 2 492.958 3.014 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc(Cl)c(Cl)n1)C2 ZINC001164827009 720451129 /nfs/dbraw/zinc/45/11/29/720451129.db2.gz YHWKQCKWNFFOHF-AWEZNQCLSA-N 1 2 476.355 3.119 20 0 JGADLO Cc1cc2nc(Cl)c(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc2cc1C ZINC001164832288 720460594 /nfs/dbraw/zinc/46/05/94/720460594.db2.gz SQHHYGYITQBCNU-SFHVURJKSA-N 1 2 471.005 3.086 20 0 JGADLO Cc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc2cc(Cl)ccc12 ZINC001164833107 720461256 /nfs/dbraw/zinc/46/12/56/720461256.db2.gz YNMQXBBMHNRNOZ-SFHVURJKSA-N 1 2 455.990 3.383 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cc(Cl)c(Cl)cc31)C2 ZINC001164829775 720464234 /nfs/dbraw/zinc/46/42/34/720464234.db2.gz GYZKVGPQQAQDCR-OAHLLOKOSA-N 1 2 477.396 3.123 20 0 JGADLO Cc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc2c(Cl)cccc12 ZINC001164829193 720465173 /nfs/dbraw/zinc/46/51/73/720465173.db2.gz DIYIBJIFNIAWPR-SFHVURJKSA-N 1 2 455.990 3.383 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)C2 ZINC001164831170 720473463 /nfs/dbraw/zinc/47/34/63/720473463.db2.gz NFEYYORWVOPAPA-GOSISDBHSA-N 1 2 486.979 3.122 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3ccc(Cl)cc31)C2 ZINC001164831478 720476387 /nfs/dbraw/zinc/47/63/87/720476387.db2.gz GOJBGSLADLJFLH-OAHLLOKOSA-N 1 2 477.396 3.123 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164834770 720484325 /nfs/dbraw/zinc/48/43/25/720484325.db2.gz UQEHQRPRNXTCMA-QGZVFWFLSA-N 1 2 481.975 3.343 20 0 JGADLO O=C(c1cccnc1N1CC[C@@H](O)[C@H]1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164833699 720490137 /nfs/dbraw/zinc/49/01/37/720490137.db2.gz QBWWVTXJXJNAKK-CLJLJLNGSA-N 1 2 456.590 3.222 20 0 JGADLO COC[C@@]12CCCO[C@@H]1CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164851613 720827309 /nfs/dbraw/zinc/82/73/09/720827309.db2.gz XNRCLWLURBKWFH-SQHAQQRYSA-N 1 2 464.610 3.062 20 0 JGADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164759306 720972654 /nfs/dbraw/zinc/97/26/54/720972654.db2.gz ZXBZOQWAAFFBAD-CQSZACIVSA-N 1 2 455.893 3.111 20 0 JGADLO O=C(c1cccnc1N1CC[C@H]2[C@@H]1CC(=O)N2c1ccsc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164885869 721357211 /nfs/dbraw/zinc/35/72/11/721357211.db2.gz ZYSWAWZQDKXWLO-ZEQRLZLVSA-N 1 2 487.629 3.485 20 0 JGADLO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785825 721405545 /nfs/dbraw/zinc/40/55/45/721405545.db2.gz NBLIQMZHLMPLFF-OKILXGFUSA-N 1 2 469.945 3.266 20 0 JGADLO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785825 721405549 /nfs/dbraw/zinc/40/55/49/721405549.db2.gz NBLIQMZHLMPLFF-OKILXGFUSA-N 1 2 469.945 3.266 20 0 JGADLO Fc1cccnc1OC[C@]12COC[C@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164793750 721485341 /nfs/dbraw/zinc/48/53/41/721485341.db2.gz VCWAOQPNFSLXPL-IBVKSMDESA-N 1 2 461.541 3.101 20 0 JGADLO Fc1cccnc1OC[C@]12COC[C@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164793750 721485343 /nfs/dbraw/zinc/48/53/43/721485343.db2.gz VCWAOQPNFSLXPL-IBVKSMDESA-N 1 2 461.541 3.101 20 0 JGADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)Nc2cccc(F)c2)[C@H]2CCCO[C@@H]12 ZINC001164800045 721584432 /nfs/dbraw/zinc/58/44/32/721584432.db2.gz BHYJAJXYSIRKNK-WMTXJRDZSA-N 1 2 497.596 3.285 20 0 JGADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)Nc2cccc(F)c2)[C@H]2CCCO[C@@H]12 ZINC001164800045 721584434 /nfs/dbraw/zinc/58/44/34/721584434.db2.gz BHYJAJXYSIRKNK-WMTXJRDZSA-N 1 2 497.596 3.285 20 0 JGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)C2 ZINC001165010719 721699377 /nfs/dbraw/zinc/69/93/77/721699377.db2.gz KIJAGQBFPOSCGN-UHFFFAOYSA-N 1 2 456.769 3.222 20 0 JGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)C2 ZINC001165010719 721699380 /nfs/dbraw/zinc/69/93/80/721699380.db2.gz KIJAGQBFPOSCGN-UHFFFAOYSA-N 1 2 456.769 3.222 20 0 JGADLO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010763 721702464 /nfs/dbraw/zinc/70/24/64/721702464.db2.gz MCOWULRIHYMQDM-UHFFFAOYSA-N 1 2 457.966 3.302 20 0 JGADLO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010763 721702471 /nfs/dbraw/zinc/70/24/71/721702471.db2.gz MCOWULRIHYMQDM-UHFFFAOYSA-N 1 2 457.966 3.302 20 0 JGADLO CCOC(=O)c1ccc2nc(Cl)nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165008961 721710828 /nfs/dbraw/zinc/71/08/28/721710828.db2.gz LZZGKGGMCHHCES-UHFFFAOYSA-N 1 2 457.966 3.302 20 0 JGADLO CCOC(=O)c1ccc2nc(Cl)nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165008961 721710829 /nfs/dbraw/zinc/71/08/29/721710829.db2.gz LZZGKGGMCHHCES-UHFFFAOYSA-N 1 2 457.966 3.302 20 0 JGADLO COc1ccc(Cn2cc3[nH]c(N4CCCn5c(C[N@H+](C)C(C)C)nnc5C4)ccc-3c2=O)cc1 ZINC001165009868 721712487 /nfs/dbraw/zinc/71/24/87/721712487.db2.gz WSXPXTMAASMQRF-UHFFFAOYSA-N 1 2 475.597 3.088 20 0 JGADLO COc1ccc(Cn2cc3[nH]c(N4CCCn5c(C[N@@H+](C)C(C)C)nnc5C4)ccc-3c2=O)cc1 ZINC001165009868 721712495 /nfs/dbraw/zinc/71/24/95/721712495.db2.gz WSXPXTMAASMQRF-UHFFFAOYSA-N 1 2 475.597 3.088 20 0 JGADLO CS(=O)(=O)c1ccc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904303 721722218 /nfs/dbraw/zinc/72/22/18/721722218.db2.gz BMVPGTLYCFIJGV-IBGZPJMESA-N 1 2 456.946 3.271 20 0 JGADLO CS(=O)(=O)c1ccc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904303 721722222 /nfs/dbraw/zinc/72/22/22/721722222.db2.gz BMVPGTLYCFIJGV-IBGZPJMESA-N 1 2 456.946 3.271 20 0 JGADLO FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913643 721770305 /nfs/dbraw/zinc/77/03/05/721770305.db2.gz ZDLWZYXYTCQRFR-LJQANCHMSA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1cc(Cl)ncc1Cl)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913643 721770310 /nfs/dbraw/zinc/77/03/10/721770310.db2.gz ZDLWZYXYTCQRFR-LJQANCHMSA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913034 721774422 /nfs/dbraw/zinc/77/44/22/721774422.db2.gz UCGXNPAJIZNABO-JOCHJYFZSA-N 1 2 475.927 3.331 20 0 JGADLO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913034 721774426 /nfs/dbraw/zinc/77/44/26/721774426.db2.gz UCGXNPAJIZNABO-JOCHJYFZSA-N 1 2 475.927 3.331 20 0 JGADLO CCOC(=O)c1cnc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1Cl ZINC001164910376 721774890 /nfs/dbraw/zinc/77/48/90/721774890.db2.gz BKFXYXGJKSDSIA-QFIPXVFZSA-N 1 2 481.380 3.068 20 0 JGADLO CCOC(=O)c1cnc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1Cl ZINC001164910376 721774893 /nfs/dbraw/zinc/77/48/93/721774893.db2.gz BKFXYXGJKSDSIA-QFIPXVFZSA-N 1 2 481.380 3.068 20 0 JGADLO Clc1cccc(-c2cccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)n1 ZINC001164915981 721783453 /nfs/dbraw/zinc/78/34/53/721783453.db2.gz MUMNVXBEROKOPQ-XMMPIXPASA-N 1 2 451.958 3.300 20 0 JGADLO Clc1cccc(-c2cccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)n1 ZINC001164915981 721783454 /nfs/dbraw/zinc/78/34/54/721783454.db2.gz MUMNVXBEROKOPQ-XMMPIXPASA-N 1 2 451.958 3.300 20 0 JGADLO CSc1ccc(Oc2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164916001 721790786 /nfs/dbraw/zinc/79/07/86/721790786.db2.gz NEOJQOSHLCTVND-VWLOTQADSA-N 1 2 479.606 3.494 20 0 JGADLO CSc1ccc(Oc2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164916001 721790790 /nfs/dbraw/zinc/79/07/90/721790790.db2.gz NEOJQOSHLCTVND-VWLOTQADSA-N 1 2 479.606 3.494 20 0 JGADLO c1ccc(-c2nsc3c2ncnc3N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001164913707 721794440 /nfs/dbraw/zinc/79/44/40/721794440.db2.gz GHEABSUJFQJXIA-VWLOTQADSA-N 1 2 474.590 3.256 20 0 JGADLO c1ccc(-c2nsc3c2ncnc3N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1 ZINC001164913707 721794443 /nfs/dbraw/zinc/79/44/43/721794443.db2.gz GHEABSUJFQJXIA-VWLOTQADSA-N 1 2 474.590 3.256 20 0 JGADLO c1ccc(-c2nsc3c2ncnc3N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001164913706 721794828 /nfs/dbraw/zinc/79/48/28/721794828.db2.gz GHEABSUJFQJXIA-RUZDIDTESA-N 1 2 474.590 3.256 20 0 JGADLO c1ccc(-c2nsc3c2ncnc3N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1 ZINC001164913706 721794831 /nfs/dbraw/zinc/79/48/31/721794831.db2.gz GHEABSUJFQJXIA-RUZDIDTESA-N 1 2 474.590 3.256 20 0 JGADLO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914253 721796762 /nfs/dbraw/zinc/79/67/62/721796762.db2.gz KZCZQIHJYMMCJE-RPBOFIJWSA-N 1 2 499.974 3.427 20 0 JGADLO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914253 721796766 /nfs/dbraw/zinc/79/67/66/721796766.db2.gz KZCZQIHJYMMCJE-RPBOFIJWSA-N 1 2 499.974 3.427 20 0 JGADLO COc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915720 721800856 /nfs/dbraw/zinc/80/08/56/721800856.db2.gz YVUUGJDVMCZMIO-RUZDIDTESA-N 1 2 497.983 3.434 20 0 JGADLO COc1ccccc1Oc1nc(Cl)ncc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915720 721800858 /nfs/dbraw/zinc/80/08/58/721800858.db2.gz YVUUGJDVMCZMIO-RUZDIDTESA-N 1 2 497.983 3.434 20 0 JGADLO Clc1nnc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1N1CCCCC1 ZINC001164914994 721801824 /nfs/dbraw/zinc/80/18/24/721801824.db2.gz SSKSNZRJZNONSF-HSZRJFAPSA-N 1 2 493.439 3.277 20 0 JGADLO Clc1nnc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1N1CCCCC1 ZINC001164914994 721801825 /nfs/dbraw/zinc/80/18/25/721801825.db2.gz SSKSNZRJZNONSF-HSZRJFAPSA-N 1 2 493.439 3.277 20 0 JGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c2ncn3Cc2ccccc2)CC1 ZINC001164917946 721814160 /nfs/dbraw/zinc/81/41/60/721814160.db2.gz RKHFFAMMFHAPPR-UHFFFAOYSA-N 1 2 462.989 3.474 20 0 JGADLO CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)c2c1 ZINC001164917101 721818239 /nfs/dbraw/zinc/81/82/39/721818239.db2.gz BGVKTNRVTOFOBX-UHFFFAOYSA-N 1 2 454.962 3.406 20 0 JGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H]5COC[C@@]5(COCc5ccccn5)C4)c3C2)cc1 ZINC001164928256 721838191 /nfs/dbraw/zinc/83/81/91/721838191.db2.gz XHIVLRMYHCLXAM-WXVAWEFUSA-N 1 2 457.578 3.100 20 0 JGADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H]5COC[C@@]5(COCc5ccccn5)C4)c3C2)cc1 ZINC001164928256 721838194 /nfs/dbraw/zinc/83/81/94/721838194.db2.gz XHIVLRMYHCLXAM-WXVAWEFUSA-N 1 2 457.578 3.100 20 0 JGADLO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044672 721955298 /nfs/dbraw/zinc/95/52/98/721955298.db2.gz NGZWSWLZICWMEA-UHFFFAOYSA-N 1 2 466.916 3.443 20 0 JGADLO CN1CC[NH+](Cc2cc3nc(N4CCCC[C@H]4c4cccnc4)nc(N4CCOCC4)c3s2)CC1 ZINC001165046001 721963672 /nfs/dbraw/zinc/96/36/72/721963672.db2.gz GJTZIMIMRVUVSJ-QHCPKHFHSA-N 1 2 493.681 3.402 20 0 JGADLO COC(=O)c1ccc2nc(Cl)c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2c1 ZINC001164944359 721969884 /nfs/dbraw/zinc/96/98/84/721969884.db2.gz HPVOUNKXIIMGMP-UHFFFAOYSA-N 1 2 479.968 3.041 20 0 JGADLO COC(=O)c1ccc2nc(Cl)c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2c1 ZINC001164944359 721969887 /nfs/dbraw/zinc/96/98/87/721969887.db2.gz HPVOUNKXIIMGMP-UHFFFAOYSA-N 1 2 479.968 3.041 20 0 JGADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945729 721972102 /nfs/dbraw/zinc/97/21/02/721972102.db2.gz RGKXYDQULHXXMJ-UHFFFAOYSA-N 1 2 456.974 3.191 20 0 JGADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945729 721972104 /nfs/dbraw/zinc/97/21/04/721972104.db2.gz RGKXYDQULHXXMJ-UHFFFAOYSA-N 1 2 456.974 3.191 20 0 JGADLO CN(C)c1ccc(-c2ccnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)n2)cc1 ZINC001164946015 721977222 /nfs/dbraw/zinc/97/72/22/721977222.db2.gz IJGTUTNNAQOTAL-UHFFFAOYSA-N 1 2 456.594 3.181 20 0 JGADLO CN(C)c1ccc(-c2ccnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)n2)cc1 ZINC001164946015 721977223 /nfs/dbraw/zinc/97/72/23/721977223.db2.gz IJGTUTNNAQOTAL-UHFFFAOYSA-N 1 2 456.594 3.181 20 0 JGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CC2 ZINC001164945571 721979840 /nfs/dbraw/zinc/97/98/40/721979840.db2.gz ALRLHHVINREHSF-UHFFFAOYSA-N 1 2 485.588 3.276 20 0 JGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CC2 ZINC001164945571 721979841 /nfs/dbraw/zinc/97/98/41/721979841.db2.gz ALRLHHVINREHSF-UHFFFAOYSA-N 1 2 485.588 3.276 20 0 JGADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4COC[C@]4(COC)C3)c2c1C ZINC001164950568 721994944 /nfs/dbraw/zinc/99/49/44/721994944.db2.gz JOVVQCGCRJXVRY-MZNJEOGPSA-N 1 2 474.627 3.262 20 0 JGADLO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054372 722011408 /nfs/dbraw/zinc/01/14/08/722011408.db2.gz WJYJHMSAAZLZBO-UHFFFAOYSA-N 1 2 451.905 3.001 20 0 JGADLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164962730 722028166 /nfs/dbraw/zinc/02/81/66/722028166.db2.gz RPXOPRCQRDOXOC-RBZQAINGSA-N 1 2 461.541 3.384 20 0 JGADLO Fc1cccnc1O[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164962730 722028167 /nfs/dbraw/zinc/02/81/67/722028167.db2.gz RPXOPRCQRDOXOC-RBZQAINGSA-N 1 2 461.541 3.384 20 0 JGADLO CS(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2c2ccccc21 ZINC001164971755 722089607 /nfs/dbraw/zinc/08/96/07/722089607.db2.gz BTWIFJHQQLAFDR-UNMCSNQZSA-N 1 2 475.618 3.035 20 0 JGADLO CS(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2c2ccccc21 ZINC001164971755 722089608 /nfs/dbraw/zinc/08/96/08/722089608.db2.gz BTWIFJHQQLAFDR-UNMCSNQZSA-N 1 2 475.618 3.035 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973120 722148936 /nfs/dbraw/zinc/14/89/36/722148936.db2.gz AZAVDWAENJVERA-NZQKXSOJSA-N 1 2 497.596 3.144 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973120 722148939 /nfs/dbraw/zinc/14/89/39/722148939.db2.gz AZAVDWAENJVERA-NZQKXSOJSA-N 1 2 497.596 3.144 20 0 JGADLO CC[C@@H](Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1)OC ZINC001305821658 1069357517 /nfs/dbraw/zinc/35/75/17/1069357517.db2.gz NTFDPJSPFIYCIB-NRFANRHFSA-N 1 2 454.550 3.235 20 0 JGADLO CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)C1 ZINC001305822277 1069357933 /nfs/dbraw/zinc/35/79/33/1069357933.db2.gz VVSSNQPMJNXNLT-HOYKHHGWSA-N 1 2 474.989 3.127 20 0 JGADLO CN(CC(=O)Nc1cccc(Cl)c1)c1nnc(-c2cnccn2)n1CCCNc1cccc[nH+]1 ZINC001298221988 1064136032 /nfs/dbraw/zinc/13/60/32/1064136032.db2.gz LWSZMIYJAAIKEM-UHFFFAOYSA-N 1 2 477.960 3.361 20 0 JGADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1CCNC(=O)c1ccco1 ZINC001298239483 1064144121 /nfs/dbraw/zinc/14/41/21/1064144121.db2.gz HBGWEBILNOEZIP-GOSISDBHSA-N 1 2 486.642 3.170 20 0 JGADLO CN(Cc1ccc(S(C)(=O)=O)cc1)c1nnc([C@@H]2CCCOC2)n1CCCNc1cccc[nH+]1 ZINC001298316600 1064191480 /nfs/dbraw/zinc/19/14/80/1064191480.db2.gz GFIWFXQKQOFPHI-HXUWFJFHSA-N 1 2 484.626 3.109 20 0 JGADLO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc([C@H]2CCCCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298400184 1064235970 /nfs/dbraw/zinc/23/59/70/1064235970.db2.gz QIJRJUNNORXYQS-QGZVFWFLSA-N 1 2 485.555 3.019 20 0 JGADLO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc([C@H]2CCCCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001298400184 1064235979 /nfs/dbraw/zinc/23/59/79/1064235979.db2.gz QIJRJUNNORXYQS-QGZVFWFLSA-N 1 2 485.555 3.019 20 0 JGADLO CN(CCC(F)(F)F)c1nnc(Cc2c(F)cccc2F)n1CC1([NH+]2CCOCC2)CC1 ZINC001298596463 1064372685 /nfs/dbraw/zinc/37/26/85/1064372685.db2.gz OBGPOGDKMYMDSH-UHFFFAOYSA-N 1 2 459.463 3.401 20 0 JGADLO O=C(NCCO[C@@H]1CCCCO1)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001298690356 1064487591 /nfs/dbraw/zinc/48/75/91/1064487591.db2.gz QKTHUOZGGVKKLK-JOCHJYFZSA-N 1 2 458.990 3.330 20 0 JGADLO C[N@H+](CCn1c(C2CCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)Cc1ccc(F)cc1 ZINC001298707550 1064513370 /nfs/dbraw/zinc/51/33/70/1064513370.db2.gz BDXNEKAVADJGJV-OAQYLSRUSA-N 1 2 463.623 3.220 20 0 JGADLO C[N@@H+](CCn1c(C2CCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)Cc1ccc(F)cc1 ZINC001298707550 1064513386 /nfs/dbraw/zinc/51/33/86/1064513386.db2.gz BDXNEKAVADJGJV-OAQYLSRUSA-N 1 2 463.623 3.220 20 0 JGADLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CC1([S@@](C)=O)CC1 ZINC001298727665 1064536947 /nfs/dbraw/zinc/53/69/47/1064536947.db2.gz ILBRDRXWWAMTAJ-JGCGQSQUSA-N 1 2 484.041 3.196 20 0 JGADLO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CC1([S@@](C)=O)CC1 ZINC001298727665 1064536963 /nfs/dbraw/zinc/53/69/63/1064536963.db2.gz ILBRDRXWWAMTAJ-JGCGQSQUSA-N 1 2 484.041 3.196 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)s2)n1Cc1ccco1 ZINC001298732995 1064548406 /nfs/dbraw/zinc/54/84/06/1064548406.db2.gz HRTSSTVVVZVVCS-UHFFFAOYSA-N 1 2 452.378 3.179 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(Br)c[nH]2)n1CCc1ccc(F)c(F)c1 ZINC001298733741 1064548870 /nfs/dbraw/zinc/54/88/70/1064548870.db2.gz RROIKAYCCLNTEO-UHFFFAOYSA-N 1 2 495.372 3.325 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC001298733443 1064549029 /nfs/dbraw/zinc/54/90/29/1064549029.db2.gz PMZVUNXBJHTFFY-UHFFFAOYSA-N 1 2 468.646 3.018 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(O)CCCCCC1 ZINC001298733971 1064549699 /nfs/dbraw/zinc/54/96/99/1064549699.db2.gz VKAYQVWLCVURQX-UHFFFAOYSA-N 1 2 479.572 3.400 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1CCCN1CCCCCC1=O ZINC001298733965 1064550127 /nfs/dbraw/zinc/55/01/27/1064550127.db2.gz VHFWSRMODXFZLE-UHFFFAOYSA-N 1 2 475.037 3.160 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001298736179 1064550862 /nfs/dbraw/zinc/55/08/62/1064550862.db2.gz CILJNTNHQGFEPS-UHFFFAOYSA-N 1 2 458.607 3.017 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001298737175 1064551535 /nfs/dbraw/zinc/55/15/35/1064551535.db2.gz PIRNBRRIJHUNPR-UHFFFAOYSA-N 1 2 476.503 3.098 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1Cc1ccccc1OCC(F)(F)F ZINC001298737488 1064552419 /nfs/dbraw/zinc/55/24/19/1064552419.db2.gz BYWUPTUGPPFKHE-UHFFFAOYSA-N 1 2 490.530 3.022 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1CCc1ccc(Br)cc1 ZINC001298738350 1064552863 /nfs/dbraw/zinc/55/28/63/1064552863.db2.gz HHSJLEZUNCHKDH-HXUWFJFHSA-N 1 2 478.435 3.293 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1Cc1c(F)cccc1N1CCCC1 ZINC001298738353 1064553097 /nfs/dbraw/zinc/55/30/97/1064553097.db2.gz HMCKXDJVRWWJGP-UHFFFAOYSA-N 1 2 458.626 3.423 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1CCc1ccccc1C(F)(F)F ZINC001298738808 1064553431 /nfs/dbraw/zinc/55/34/31/1064553431.db2.gz OAJLMVZRGKMUHH-UHFFFAOYSA-N 1 2 474.531 3.294 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2c(F)cccc2F)n1C[C@@](C)(O)C1CCCCC1 ZINC001298738909 1064553512 /nfs/dbraw/zinc/55/35/12/1064553512.db2.gz RCHYEIMLNZBIFH-RUZDIDTESA-N 1 2 477.600 3.247 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001298739109 1064554073 /nfs/dbraw/zinc/55/40/73/1064554073.db2.gz YZCCZTNASALDLH-NJDAHSKKSA-N 1 2 463.667 3.170 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCS1 ZINC001298740165 1064554876 /nfs/dbraw/zinc/55/48/76/1064554876.db2.gz DZWHNZLLFMXGFB-OALUTQOASA-N 1 2 480.679 3.014 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H]1CC=CCO1 ZINC001298740835 1064555552 /nfs/dbraw/zinc/55/55/52/1064555552.db2.gz VHIQADXBQWOBPP-IBGZPJMESA-N 1 2 464.035 3.337 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCSC1(C)C ZINC001298741049 1064556404 /nfs/dbraw/zinc/55/64/04/1064556404.db2.gz ZGCNIGFDWAHUAQ-SFHVURJKSA-N 1 2 463.623 3.296 20 0 JGADLO CN(CCOC(C)(C)C)c1nnc([C@H]2CCCO2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001298756416 1064565951 /nfs/dbraw/zinc/56/59/51/1064565951.db2.gz NOZQQJQEIMLVGA-FGZHOGPDSA-N 1 2 457.619 3.454 20 0 JGADLO CN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2F)n1CCCNc1cccc[nH+]1 ZINC001298775894 1064582069 /nfs/dbraw/zinc/58/20/69/1064582069.db2.gz ZKLZWCMRTBRZNN-UHFFFAOYSA-N 1 2 466.970 3.116 20 0 JGADLO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001298781298 1064584813 /nfs/dbraw/zinc/58/48/13/1064584813.db2.gz BCTQSDAXBIEDCF-SVFBPWRDSA-N 1 2 493.674 3.108 20 0 JGADLO C[C@@H]1[C@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001298887092 1064696571 /nfs/dbraw/zinc/69/65/71/1064696571.db2.gz KWEREXGAELRQPD-RDTXWAMCSA-N 1 2 451.386 3.245 20 0 JGADLO C[C@@H]1[C@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001298887092 1064696576 /nfs/dbraw/zinc/69/65/76/1064696576.db2.gz KWEREXGAELRQPD-RDTXWAMCSA-N 1 2 451.386 3.245 20 0 JGADLO CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)cc21 ZINC001298907961 1064710942 /nfs/dbraw/zinc/71/09/42/1064710942.db2.gz KKPJGCMSNTUKFB-LJQANCHMSA-N 1 2 450.543 3.418 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001299002808 1064782216 /nfs/dbraw/zinc/78/22/16/1064782216.db2.gz ODLFTNFMQZGYLE-CTNGQTDRSA-N 1 2 479.629 3.375 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001299002811 1064782236 /nfs/dbraw/zinc/78/22/36/1064782236.db2.gz ODLFTNFMQZGYLE-TZIWHRDSSA-N 1 2 479.629 3.375 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001299003507 1064783359 /nfs/dbraw/zinc/78/33/59/1064783359.db2.gz UQYKVCRWDAOVOH-SYYKKAFVSA-N 1 2 483.661 3.059 20 0 JGADLO CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccc3F)n2CCCc2cccc(C)[nH+]2)C1 ZINC001299028983 1064813798 /nfs/dbraw/zinc/81/37/98/1064813798.db2.gz OBWVCRNPSMZRAG-VWLOTQADSA-N 1 2 450.562 3.307 20 0 JGADLO CNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)CC1 ZINC001299119015 1064927040 /nfs/dbraw/zinc/92/70/40/1064927040.db2.gz LCOHPPQJASAFCO-UHFFFAOYSA-N 1 2 453.635 3.119 20 0 JGADLO C[C@@H]1CC2(CN1C(=O)C1CC[NH+](Cc3nccn3C)CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001299764434 1064960887 /nfs/dbraw/zinc/96/08/87/1064960887.db2.gz GOXCHINEFVWFTJ-LJQANCHMSA-N 1 2 459.635 3.270 20 0 JGADLO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)C1(C)C ZINC001299818117 1065012675 /nfs/dbraw/zinc/01/26/75/1065012675.db2.gz IYMOHEKZQAFPGC-RTWAWAEBSA-N 1 2 450.608 3.386 20 0 JGADLO COc1cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@]2(C)CCCS2)cc(OC)c1OC ZINC001299841073 1065036885 /nfs/dbraw/zinc/03/68/85/1065036885.db2.gz JOISOKNPXQMGJC-DEOSSOPVSA-N 1 2 491.658 3.025 20 0 JGADLO COc1cc(-c2nnc(N3CC[NH+](Cc4cc(C)no4)CC3)n2CC(C)(C)O)ccc1OC(C)C ZINC001299857188 1065065987 /nfs/dbraw/zinc/06/59/87/1065065987.db2.gz KPQUZLGXSVMAJB-UHFFFAOYSA-N 1 2 484.601 3.130 20 0 JGADLO COc1cc(CN(C)c2nnc(C)n2Cc2ccc[nH+]c2N2CCOCC2)ccc1SC ZINC001299869431 1065086972 /nfs/dbraw/zinc/08/69/72/1065086972.db2.gz GENUJLIGAHQPKU-UHFFFAOYSA-N 1 2 454.600 3.233 20 0 JGADLO COc1cc(CN(C)c2nnc(C3CC3)n2CC[N@@H+]2CCOC[C@@H]2C)ccc1OC(F)F ZINC001299871355 1065089634 /nfs/dbraw/zinc/08/96/34/1065089634.db2.gz JPWVJFJWQPPIKC-HNNXBMFYSA-N 1 2 451.518 3.123 20 0 JGADLO COc1cc(CN(C)c2nnc(C3CC3)n2CC[N@H+]2CCOC[C@@H]2C)ccc1OC(F)F ZINC001299871355 1065089649 /nfs/dbraw/zinc/08/96/49/1065089649.db2.gz JPWVJFJWQPPIKC-HNNXBMFYSA-N 1 2 451.518 3.123 20 0 JGADLO COc1cc(Cn2c(CC(C)(C)C)nnc2N(C)CC[NH+]2CCOCC2)cc(Cl)c1OC ZINC001299886324 1065110480 /nfs/dbraw/zinc/11/04/80/1065110480.db2.gz CNOCPUGVSIOUIA-UHFFFAOYSA-N 1 2 466.026 3.354 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCNC(=O)C(C)C ZINC001299908985 1065155073 /nfs/dbraw/zinc/15/50/73/1065155073.db2.gz KMQDOSPULCRWPA-UHFFFAOYSA-N 1 2 484.004 3.101 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@H](C)SC ZINC001299909280 1065157231 /nfs/dbraw/zinc/15/72/31/1065157231.db2.gz SOSABMULWMCLEF-HOTGVXAUSA-N 1 2 493.077 3.148 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCC(F)(F)C2)c1 ZINC001299931452 1065195602 /nfs/dbraw/zinc/19/56/02/1065195602.db2.gz AGYBHROSDAOUKM-QGZVFWFLSA-N 1 2 465.545 3.166 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2Cc2c[nH+]ccc2OC)c1 ZINC001299953266 1065233851 /nfs/dbraw/zinc/23/38/51/1065233851.db2.gz XTMJJYWZTOUSRX-IBGZPJMESA-N 1 2 479.459 3.182 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2Cc2c[nH+]ccc2OC)c1 ZINC001299953267 1065234013 /nfs/dbraw/zinc/23/40/13/1065234013.db2.gz XTMJJYWZTOUSRX-LJQANCHMSA-N 1 2 479.459 3.182 20 0 JGADLO COc1ccc([C@H](C)CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001299981028 1065280670 /nfs/dbraw/zinc/28/06/70/1065280670.db2.gz QWTBKXWBMMOSEC-HXUWFJFHSA-N 1 2 477.613 3.340 20 0 JGADLO COc1ccc(C)cc1CCn1c(CC(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001299990609 1065294518 /nfs/dbraw/zinc/29/45/18/1065294518.db2.gz NDRQPUBGQXNJOB-RUZDIDTESA-N 1 2 498.716 3.268 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001492329182 1065399730 /nfs/dbraw/zinc/39/97/30/1065399730.db2.gz HAEADEFSAIBDKV-SFTDATJTSA-N 1 2 457.619 3.138 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CCC3CCOCC3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001492330704 1065401011 /nfs/dbraw/zinc/40/10/11/1065401011.db2.gz SJYXEKDLOZIWAJ-OAQYLSRUSA-N 1 2 457.619 3.139 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CCC3CCOCC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001492330704 1065401016 /nfs/dbraw/zinc/40/10/16/1065401016.db2.gz SJYXEKDLOZIWAJ-OAQYLSRUSA-N 1 2 457.619 3.139 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(S(C)(=O)=O)CCC2)cc1 ZINC001492383176 1065446973 /nfs/dbraw/zinc/44/69/73/1065446973.db2.gz MVVPQEBRLCSHEW-UHFFFAOYSA-N 1 2 475.659 3.053 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(COc4ccc(C)cc4)n3CC(F)(F)F)CC2)on1 ZINC001492391262 1065455711 /nfs/dbraw/zinc/45/57/11/1065455711.db2.gz QHYNWGOIRXNSGU-UHFFFAOYSA-N 1 2 450.465 3.346 20 0 JGADLO CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@H]1C ZINC001300797024 1065528624 /nfs/dbraw/zinc/52/86/24/1065528624.db2.gz VSBZPIUSQWJIAV-BEFAXECRSA-N 1 2 488.434 3.417 20 0 JGADLO CO[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)CC1(C)C ZINC001300797043 1065529145 /nfs/dbraw/zinc/52/91/45/1065529145.db2.gz JPFHZKHTFWZIIQ-JOCHJYFZSA-N 1 2 454.663 3.255 20 0 JGADLO CO[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCOC[C@H]2C)CC1(C)C ZINC001300804693 1065536826 /nfs/dbraw/zinc/53/68/26/1065536826.db2.gz SVYMCHKKSDRRKQ-GDBMZVCRSA-N 1 2 484.464 3.351 20 0 JGADLO CO[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCOC[C@H]2C)CC1(C)C ZINC001300804693 1065536838 /nfs/dbraw/zinc/53/68/38/1065536838.db2.gz SVYMCHKKSDRRKQ-GDBMZVCRSA-N 1 2 484.464 3.351 20 0 JGADLO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCOC[C@@H]2C)CC[C@H]1C ZINC001300839382 1065575798 /nfs/dbraw/zinc/57/57/98/1065575798.db2.gz RLVKNBHHVPAMFI-FUPPJEDESA-N 1 2 457.619 3.056 20 0 JGADLO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCOC[C@@H]2C)CC[C@H]1C ZINC001300839382 1065575806 /nfs/dbraw/zinc/57/58/06/1065575806.db2.gz RLVKNBHHVPAMFI-FUPPJEDESA-N 1 2 457.619 3.056 20 0 JGADLO COCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001300934360 1065735329 /nfs/dbraw/zinc/73/53/29/1065735329.db2.gz PMWJESJWDDWOTN-UHFFFAOYSA-N 1 2 481.601 3.060 20 0 JGADLO COC[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001300969535 1065778336 /nfs/dbraw/zinc/77/83/36/1065778336.db2.gz WLVKUKZYIMVMRI-SJORKVTESA-N 1 2 459.545 3.123 20 0 JGADLO COC[C@H](C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001300988135 1065801522 /nfs/dbraw/zinc/80/15/22/1065801522.db2.gz SCVWZBVIXDGCJA-GOSISDBHSA-N 1 2 483.642 3.287 20 0 JGADLO COC[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001301024583 1065861996 /nfs/dbraw/zinc/86/19/96/1065861996.db2.gz FWPXEBAFILKAKX-NRFANRHFSA-N 1 2 497.619 3.218 20 0 JGADLO C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001301179249 1066010703 /nfs/dbraw/zinc/01/07/03/1066010703.db2.gz QYXWWOAXYLXEHX-OAHLLOKOSA-N 1 2 451.976 3.182 20 0 JGADLO C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001301179249 1066010715 /nfs/dbraw/zinc/01/07/15/1066010715.db2.gz QYXWWOAXYLXEHX-OAHLLOKOSA-N 1 2 451.976 3.182 20 0 JGADLO COCc1nc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cc(C)no3)CC2)cs1 ZINC001301209608 1066033379 /nfs/dbraw/zinc/03/33/79/1066033379.db2.gz HSTFILZOTIJJPW-UHFFFAOYSA-N 1 2 459.620 3.137 20 0 JGADLO COC[C@@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2c[nH+]ccc2OC)C1 ZINC001301232585 1066051405 /nfs/dbraw/zinc/05/14/05/1066051405.db2.gz QBRWSEPTTFKKON-NTKDMRAZSA-N 1 2 459.591 3.024 20 0 JGADLO CC(C)[C@@H](CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)NC(=O)OC(C)(C)C ZINC001301242922 1066059920 /nfs/dbraw/zinc/05/99/20/1066059920.db2.gz ZBLFBBRVLHAPBK-WIYYLYMNSA-N 1 2 450.599 3.392 20 0 JGADLO COC[C@@H]1CCCCN(c2nnc(Cn3nc(C)cc3C)n2CCCNc2cccc[nH+]2)C1 ZINC001301248900 1066065781 /nfs/dbraw/zinc/06/57/81/1066065781.db2.gz JVIFBMYFIISMOZ-OAQYLSRUSA-N 1 2 452.607 3.290 20 0 JGADLO COCC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001301344893 1066135936 /nfs/dbraw/zinc/13/59/36/1066135936.db2.gz RLKWWZFBIDVLBU-OYRHEFFESA-N 1 2 499.660 3.421 20 0 JGADLO COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H](C)O1 ZINC001301389960 1066175416 /nfs/dbraw/zinc/17/54/16/1066175416.db2.gz YDWGVNOPDCUURL-OVQGTLEDSA-N 1 2 479.572 3.341 20 0 JGADLO COCCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001301419223 1066212311 /nfs/dbraw/zinc/21/23/11/1066212311.db2.gz ZLHDVMWURBDLKL-UHFFFAOYSA-N 1 2 472.609 3.038 20 0 JGADLO COCC[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001301438779 1066242177 /nfs/dbraw/zinc/24/21/77/1066242177.db2.gz RKMQVZNWHALHQU-DEOSSOPVSA-N 1 2 488.539 3.056 20 0 JGADLO COCCO[C@@H](C)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1CC[N@@H+]1CCOCC1(C)C ZINC001301971788 1066278074 /nfs/dbraw/zinc/27/80/74/1066278074.db2.gz WBVYLZAGOLZLMM-SIKLNZKXSA-N 1 2 457.619 3.237 20 0 JGADLO COCCO[C@@H](C)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1CC[N@H+]1CCOCC1(C)C ZINC001301971788 1066278093 /nfs/dbraw/zinc/27/80/93/1066278093.db2.gz WBVYLZAGOLZLMM-SIKLNZKXSA-N 1 2 457.619 3.237 20 0 JGADLO COCC[C@](C)(O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001301462333 1066285323 /nfs/dbraw/zinc/28/53/23/1066285323.db2.gz GPQOKVVQHMMDGF-VWLOTQADSA-N 1 2 497.669 3.091 20 0 JGADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CCSCC(F)(F)F)CC1 ZINC001301981873 1066289846 /nfs/dbraw/zinc/28/98/46/1066289846.db2.gz NKWYXWZXDFZWRL-MRXNPFEDSA-N 1 2 476.613 3.004 20 0 JGADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CCc2c(F)cccc2F)CC1 ZINC001301983409 1066292115 /nfs/dbraw/zinc/29/21/15/1066292115.db2.gz ZZEXONWZFHCHJN-GOSISDBHSA-N 1 2 474.600 3.229 20 0 JGADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001301987632 1066302919 /nfs/dbraw/zinc/30/29/19/1066302919.db2.gz ASMVIXOLHKCJPA-QZTJIDSGSA-N 1 2 460.648 3.237 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001301990492 1066308976 /nfs/dbraw/zinc/30/89/76/1066308976.db2.gz PPXURUFOBIAIPU-ZVDOUQERSA-N 1 2 493.674 3.141 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001301990492 1066308992 /nfs/dbraw/zinc/30/89/92/1066308992.db2.gz PPXURUFOBIAIPU-ZVDOUQERSA-N 1 2 493.674 3.141 20 0 JGADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001301991362 1066311124 /nfs/dbraw/zinc/31/11/24/1066311124.db2.gz NPBMSMJXLKYSHC-LVCYWYKZSA-N 1 2 472.615 3.012 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001301991567 1066311943 /nfs/dbraw/zinc/31/19/43/1066311943.db2.gz UVVSDSNAEFSVHU-QZNHQXDQSA-N 1 2 487.645 3.079 20 0 JGADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001301994127 1066319486 /nfs/dbraw/zinc/31/94/86/1066319486.db2.gz YPVAEOQPRJCCAS-SBHAEUEKSA-N 1 2 490.674 3.211 20 0 JGADLO COCC[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301505556 1066333366 /nfs/dbraw/zinc/33/33/66/1066333366.db2.gz PMJDOGJAOUHBRF-CVEARBPZSA-N 1 2 484.464 3.353 20 0 JGADLO Cc1ccc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1NC(=O)c1ccc(Br)cc1 ZINC001301547695 1066377077 /nfs/dbraw/zinc/37/70/77/1066377077.db2.gz OWMCFJCVQVKQLC-SFHVURJKSA-N 1 2 457.328 3.207 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1ccccc1F ZINC001302042998 1066421390 /nfs/dbraw/zinc/42/13/90/1066421390.db2.gz LVKXCDHSIOYHSK-KRWDZBQOSA-N 1 2 454.550 3.213 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(OC)CC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001302054143 1066445974 /nfs/dbraw/zinc/44/59/74/1066445974.db2.gz SNEVNSFNIWTCDE-NBGIEHNGSA-N 1 2 472.634 3.441 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302067177 1066469390 /nfs/dbraw/zinc/46/93/90/1066469390.db2.gz XVZURABDUNIQIK-SQJMNOBHSA-N 1 2 461.651 3.440 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCc1nc(C)c(C)s1 ZINC001302084637 1066508363 /nfs/dbraw/zinc/50/83/63/1066508363.db2.gz NFYPIAKDBWBMOP-GOSISDBHSA-N 1 2 471.631 3.040 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1ccc(OC)c(Cl)c1 ZINC001302086093 1066510504 /nfs/dbraw/zinc/51/05/04/1066510504.db2.gz XRPVPJOQLVVGID-GOSISDBHSA-N 1 2 487.004 3.434 20 0 JGADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)(C)C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301648531 1066513425 /nfs/dbraw/zinc/51/34/25/1066513425.db2.gz QAYINOGGZLGQEO-FXAWDEMLSA-N 1 2 462.589 3.461 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1Cc1ccc(Cl)cc1 ZINC001302090371 1066517113 /nfs/dbraw/zinc/51/71/13/1066517113.db2.gz UXVICCBSSHUXNG-GOSISDBHSA-N 1 2 474.993 3.322 20 0 JGADLO COCCCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001301661003 1066531579 /nfs/dbraw/zinc/53/15/79/1066531579.db2.gz OMLRXSDTVLXTNL-UHFFFAOYSA-N 1 2 483.661 3.204 20 0 JGADLO O=C(COc1cccc(I)c1)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001301663137 1066535816 /nfs/dbraw/zinc/53/58/16/1066535816.db2.gz SXNDWNQXXVGRSQ-KRWDZBQOSA-N 1 2 456.711 3.497 20 0 JGADLO CC(C)(C)Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1CCCNc1cccc[nH+]1 ZINC001302133232 1066578474 /nfs/dbraw/zinc/57/84/74/1066578474.db2.gz WKUAGZBUMZAATH-UHFFFAOYSA-N 1 2 483.646 3.471 20 0 JGADLO COCCOc1ncccc1Cn1c(C(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001302138206 1066584186 /nfs/dbraw/zinc/58/41/86/1066584186.db2.gz MRVDMBPFJMCAPU-UHFFFAOYSA-N 1 2 494.644 3.418 20 0 JGADLO COCCO[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302152268 1066604636 /nfs/dbraw/zinc/60/46/36/1066604636.db2.gz QMBVMCQJTLRMMD-JOCHJYFZSA-N 1 2 466.586 3.095 20 0 JGADLO COCCO[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2Cc2c[nH+]ccc2OC)C1 ZINC001302156472 1066611456 /nfs/dbraw/zinc/61/14/56/1066611456.db2.gz LDPURMDIAXVNLA-JOCHJYFZSA-N 1 2 451.571 3.261 20 0 JGADLO CC(C)(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCS(=O)(=O)Cc1ccccc1 ZINC001302173464 1066644889 /nfs/dbraw/zinc/64/48/89/1066644889.db2.gz RVLAGLKLWTYMEV-OAQYLSRUSA-N 1 2 459.660 3.156 20 0 JGADLO CC(C)(C)Cc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCS(=O)(=O)Cc1ccccc1 ZINC001302173464 1066644895 /nfs/dbraw/zinc/64/48/95/1066644895.db2.gz RVLAGLKLWTYMEV-OAQYLSRUSA-N 1 2 459.660 3.156 20 0 JGADLO COCCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001302179627 1066656243 /nfs/dbraw/zinc/65/62/43/1066656243.db2.gz OODRETSXMAXCRY-UIFIKXQLSA-N 1 2 479.572 3.343 20 0 JGADLO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)[nH+]c2)[C@@H](C)C1 ZINC001301744237 1066668704 /nfs/dbraw/zinc/66/87/04/1066668704.db2.gz KDUJRYYPNKFOFW-KRWDZBQOSA-N 1 2 468.005 3.089 20 0 JGADLO CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001301760724 1066698529 /nfs/dbraw/zinc/69/85/29/1066698529.db2.gz UGCLIJNYTFRYKZ-UHFFFAOYSA-N 1 2 469.977 3.076 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N(C)CCCc2cc(-c3ccccc3)no2)CC1 ZINC001301763776 1066704211 /nfs/dbraw/zinc/70/42/11/1066704211.db2.gz JPHZAFLTSPNEJT-UHFFFAOYSA-N 1 2 479.629 3.290 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001301763932 1066704321 /nfs/dbraw/zinc/70/43/21/1066704321.db2.gz KOJNTJLMICDEBP-IBGZPJMESA-N 1 2 450.587 3.251 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001301764147 1066704673 /nfs/dbraw/zinc/70/46/73/1066704673.db2.gz MPIPJCPFNGKMHO-UHFFFAOYSA-N 1 2 476.503 3.064 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CC2CC2)CC1 ZINC001301764058 1066704803 /nfs/dbraw/zinc/70/48/03/1066704803.db2.gz LYFFBWUSYHQFHQ-HXUWFJFHSA-N 1 2 454.619 3.045 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001301769658 1066713637 /nfs/dbraw/zinc/71/36/37/1066713637.db2.gz CXURTKBUBVBCOU-LJQANCHMSA-N 1 2 480.991 3.168 20 0 JGADLO COCCN(CC(C)C)c1nnc(-c2cccc(C)n2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001301771043 1066714111 /nfs/dbraw/zinc/71/41/11/1066714111.db2.gz QQCBFOKZGIANMQ-UHFFFAOYSA-N 1 2 465.602 3.037 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001301775902 1066721680 /nfs/dbraw/zinc/72/16/80/1066721680.db2.gz SXECHTDBBFTMLA-OAQYLSRUSA-N 1 2 478.563 3.006 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001301775945 1066721755 /nfs/dbraw/zinc/72/17/55/1066721755.db2.gz SZQYMFXNYUOLNA-FQEVSTJZSA-N 1 2 494.562 3.108 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CSc3ccc(C)cc3)nnc2N(C)Cc2scnc2C)CC1 ZINC001301776201 1066722252 /nfs/dbraw/zinc/72/22/52/1066722252.db2.gz XEBSULJKETUGJO-UHFFFAOYSA-N 1 2 499.710 3.444 20 0 JGADLO CC(=O)Nc1ccc(Cn2c(C)nnc2N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC001301780314 1066729717 /nfs/dbraw/zinc/72/97/17/1066729717.db2.gz XHMUQFIPKADEKD-NRFANRHFSA-N 1 2 454.600 3.164 20 0 JGADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001301783405 1066731938 /nfs/dbraw/zinc/73/19/38/1066731938.db2.gz YVQNOAWBVMQNDI-IBGZPJMESA-N 1 2 452.942 3.247 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(F)(F)F)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001302248108 1066779959 /nfs/dbraw/zinc/77/99/59/1066779959.db2.gz MADCYQHBDIUOBU-HBMCJLEFSA-N 1 2 497.562 3.383 20 0 JGADLO COCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001301827370 1066792409 /nfs/dbraw/zinc/79/24/09/1066792409.db2.gz FISNMVJIELJPDD-UHFFFAOYSA-N 1 2 467.393 3.034 20 0 JGADLO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001301828624 1066794417 /nfs/dbraw/zinc/79/44/17/1066794417.db2.gz PHVGXIPEXIOGDS-NRFANRHFSA-N 1 2 451.550 3.010 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[NH+]2CCOCC2)n1CCc1ccccc1C(F)(F)F ZINC001302260976 1066808488 /nfs/dbraw/zinc/80/84/88/1066808488.db2.gz MYCUTRYYEYBWAE-FPOVZHCZSA-N 1 2 497.562 3.032 20 0 JGADLO CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCc2cn3ccccc3[nH+]2)CCO1 ZINC001302265203 1066819303 /nfs/dbraw/zinc/81/93/03/1066819303.db2.gz PTMNORYNHSKGRU-LJQANCHMSA-N 1 2 483.617 3.196 20 0 JGADLO COCCn1cc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cn1 ZINC001301854141 1066833468 /nfs/dbraw/zinc/83/34/68/1066833468.db2.gz QJRLNQZEQJUKCC-UHFFFAOYSA-N 1 2 495.676 3.306 20 0 JGADLO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCCNc2cccc[nH+]2)C1 ZINC001302289277 1066867160 /nfs/dbraw/zinc/86/71/60/1066867160.db2.gz RREPHXNEHOWJGX-FQEVSTJZSA-N 1 2 478.601 3.265 20 0 JGADLO CC(C)(C)OCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001302311593 1066905664 /nfs/dbraw/zinc/90/56/64/1066905664.db2.gz VVVONLXTFCCABE-UHFFFAOYSA-N 1 2 475.037 3.191 20 0 JGADLO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001302316499 1066914283 /nfs/dbraw/zinc/91/42/83/1066914283.db2.gz UUEQXCGSLGLANJ-UHFFFAOYSA-N 1 2 480.078 3.268 20 0 JGADLO CS(C)(=O)=NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001302365488 1066955335 /nfs/dbraw/zinc/95/53/35/1066955335.db2.gz RINPPZCKJFPAKT-NRFANRHFSA-N 1 2 452.536 3.114 20 0 JGADLO CS(C)(=O)=NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001302365488 1066955346 /nfs/dbraw/zinc/95/53/46/1066955346.db2.gz RINPPZCKJFPAKT-NRFANRHFSA-N 1 2 452.536 3.114 20 0 JGADLO COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001301932028 1066970288 /nfs/dbraw/zinc/97/02/88/1066970288.db2.gz VHIXWZGQJSNKFR-UNMCSNQZSA-N 1 2 497.688 3.377 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001302408633 1066991542 /nfs/dbraw/zinc/99/15/42/1066991542.db2.gz IERJWKWRDRJBJB-GOTSBHOMSA-N 1 2 468.646 3.216 20 0 JGADLO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC1([NH+]2CCOCC2)CC1 ZINC001302451415 1067052460 /nfs/dbraw/zinc/05/24/60/1067052460.db2.gz HFCKWHXPKVEKAN-UHFFFAOYSA-N 1 2 482.673 3.316 20 0 JGADLO Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC[N@H+]2CCOC[C@@H]2C)c1C ZINC001304011811 1067054781 /nfs/dbraw/zinc/05/47/81/1067054781.db2.gz YSINUGPTMGQKCQ-IBGZPJMESA-N 1 2 454.619 3.348 20 0 JGADLO Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC[N@@H+]2CCOC[C@@H]2C)c1C ZINC001304011811 1067054790 /nfs/dbraw/zinc/05/47/90/1067054790.db2.gz YSINUGPTMGQKCQ-IBGZPJMESA-N 1 2 454.619 3.348 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H](C)[NH+]2CCOCC2)c1C ZINC001304027102 1067074470 /nfs/dbraw/zinc/07/44/70/1067074470.db2.gz XJJSDBMGEHYAKU-JTHBVZDNSA-N 1 2 498.672 3.060 20 0 JGADLO CC(C)[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001302500480 1067098767 /nfs/dbraw/zinc/09/87/67/1067098767.db2.gz JILYMUQEAPHBOC-BWKNWUBXSA-N 1 2 484.670 3.242 20 0 JGADLO CC(C)[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001302505253 1067107380 /nfs/dbraw/zinc/10/73/80/1067107380.db2.gz TWXGZIFPSFWWSK-RUZDIDTESA-N 1 2 468.577 3.427 20 0 JGADLO CSC(C)(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1 ZINC001302513217 1067126970 /nfs/dbraw/zinc/12/69/70/1067126970.db2.gz MBPUREINZWJZCG-QGZVFWFLSA-N 1 2 451.612 3.467 20 0 JGADLO CS[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001302535272 1067164952 /nfs/dbraw/zinc/16/49/52/1067164952.db2.gz OKCDZELLWPGENP-MRXNPFEDSA-N 1 2 451.040 3.143 20 0 JGADLO CC(C)c1ccccc1OCCn1c(-c2cccn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001302535978 1067166131 /nfs/dbraw/zinc/16/61/31/1067166131.db2.gz DIPUHPOQRWDQDR-UHFFFAOYSA-N 1 2 452.603 3.254 20 0 JGADLO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304135206 1067173726 /nfs/dbraw/zinc/17/37/26/1067173726.db2.gz DVKNCFHADDWQTC-OAQYLSRUSA-N 1 2 484.645 3.322 20 0 JGADLO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(-c2cnccn2)n1CCCNc1cccc[nH+]1 ZINC001304136218 1067174969 /nfs/dbraw/zinc/17/49/69/1067174969.db2.gz LWZHQDRVQDDFFV-UHFFFAOYSA-N 1 2 471.569 3.324 20 0 JGADLO CC(C)c1ncc(CN(C)c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)cn1 ZINC001302553090 1067190614 /nfs/dbraw/zinc/19/06/14/1067190614.db2.gz BDNDQAXFHABUEB-LJQANCHMSA-N 1 2 467.593 3.279 20 0 JGADLO CC(C)c1ncc(CN(C)c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)cn1 ZINC001302553090 1067190617 /nfs/dbraw/zinc/19/06/17/1067190617.db2.gz BDNDQAXFHABUEB-LJQANCHMSA-N 1 2 467.593 3.279 20 0 JGADLO CC(C)c1ncc(CN(C)c2nnc(Cc3ccccc3F)n2C[C@@H](C)[NH+]2CCOCC2)cn1 ZINC001302553532 1067191639 /nfs/dbraw/zinc/19/16/39/1067191639.db2.gz FBEZYJFIIAINGS-LJQANCHMSA-N 1 2 467.593 3.279 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001304169543 1067217096 /nfs/dbraw/zinc/21/70/96/1067217096.db2.gz VIGUOZPKLNIEAQ-VXKWHMMOSA-N 1 2 457.619 3.057 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001304169543 1067217103 /nfs/dbraw/zinc/21/71/03/1067217103.db2.gz VIGUOZPKLNIEAQ-VXKWHMMOSA-N 1 2 457.619 3.057 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001304169544 1067217214 /nfs/dbraw/zinc/21/72/14/1067217214.db2.gz VIGUOZPKLNIEAQ-YADHBBJMSA-N 1 2 457.619 3.057 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCOC3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001304169544 1067217219 /nfs/dbraw/zinc/21/72/19/1067217219.db2.gz VIGUOZPKLNIEAQ-YADHBBJMSA-N 1 2 457.619 3.057 20 0 JGADLO CS[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)C(C)(C)C ZINC001302582200 1067220944 /nfs/dbraw/zinc/22/09/44/1067220944.db2.gz WRMCJPMOBHILSL-QZTJIDSGSA-N 1 2 477.704 3.094 20 0 JGADLO CS[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302588172 1067225184 /nfs/dbraw/zinc/22/51/84/1067225184.db2.gz JILZIENLUCKZIP-IFMALSPDSA-N 1 2 499.729 3.175 20 0 JGADLO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001302595166 1067232661 /nfs/dbraw/zinc/23/26/61/1067232661.db2.gz HGKTVPUUAUXNNB-PZJWPPBQSA-N 1 2 491.706 3.012 20 0 JGADLO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001302595166 1067232669 /nfs/dbraw/zinc/23/26/69/1067232669.db2.gz HGKTVPUUAUXNNB-PZJWPPBQSA-N 1 2 491.706 3.012 20 0 JGADLO C[NH+]1CCN(C2CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)C3CCCCCC3)CC2)CC1 ZINC001302596500 1067233437 /nfs/dbraw/zinc/23/34/37/1067233437.db2.gz GVHKJRLUEJNKEZ-JOCHJYFZSA-N 1 2 450.668 3.336 20 0 JGADLO Cc1cc(CN(C)c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+]2CCOCC2)no1 ZINC001304202669 1067250626 /nfs/dbraw/zinc/25/06/26/1067250626.db2.gz QUJSSDRCAFHPHU-CYBMUJFWSA-N 1 2 481.420 3.423 20 0 JGADLO Cc1cccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001304205089 1067251323 /nfs/dbraw/zinc/25/13/23/1067251323.db2.gz KYKRHZZVGZWJKR-VQTJNVASSA-N 1 2 473.668 3.489 20 0 JGADLO CC(C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCCS(=O)(=O)Cc1ccccc1 ZINC001302644421 1067272774 /nfs/dbraw/zinc/27/27/74/1067272774.db2.gz WUCUCRNFMOWJSX-UHFFFAOYSA-N 1 2 482.654 3.430 20 0 JGADLO Cc1cc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@]3(C)COCCO3)CC2)nc(C(C)C)[nH+]1 ZINC001304244997 1067279564 /nfs/dbraw/zinc/27/95/64/1067279564.db2.gz CAALOJHVCMAKKR-RUZDIDTESA-N 1 2 471.650 3.221 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C(C)C)n3CCCOC[C@@H]3CCOC3)CC2)nc(C(C)C)[nH+]1 ZINC001304245032 1067280065 /nfs/dbraw/zinc/28/00/65/1067280065.db2.gz DLFIQPDGKALAFH-NRFANRHFSA-N 1 2 471.650 3.393 20 0 JGADLO Cc1cccc(N(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001304245857 1067281117 /nfs/dbraw/zinc/28/11/17/1067281117.db2.gz PNTAYNULVMVPSQ-SFHVURJKSA-N 1 2 454.600 3.067 20 0 JGADLO Cc1cccc(N(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001304245857 1067281119 /nfs/dbraw/zinc/28/11/19/1067281119.db2.gz PNTAYNULVMVPSQ-SFHVURJKSA-N 1 2 454.600 3.067 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C4CCCC4)n3CCC(=O)NC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245601 1067281176 /nfs/dbraw/zinc/28/11/76/1067281176.db2.gz NOCVPEUFDRFPSA-UHFFFAOYSA-N 1 2 468.650 3.399 20 0 JGADLO Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cs1 ZINC001304246405 1067281681 /nfs/dbraw/zinc/28/16/81/1067281681.db2.gz YBEYWWXKQFYKKD-UHFFFAOYSA-N 1 2 482.658 3.383 20 0 JGADLO CS[C@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302664853 1067292467 /nfs/dbraw/zinc/29/24/67/1067292467.db2.gz HWTOYSWCETXNNE-RDPSFJRHSA-N 1 2 481.707 3.151 20 0 JGADLO CS[C@@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001302676752 1067301991 /nfs/dbraw/zinc/30/19/91/1067301991.db2.gz HRXDVWLMTGKKSN-JOCHJYFZSA-N 1 2 491.105 3.408 20 0 JGADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001302678990 1067304726 /nfs/dbraw/zinc/30/47/26/1067304726.db2.gz INFGJJZMFQPRNP-BHIFYINESA-N 1 2 474.694 3.376 20 0 JGADLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(Cl)cc1F ZINC001302682144 1067307586 /nfs/dbraw/zinc/30/75/86/1067307586.db2.gz ZICBJJBAGHECNC-KRWDZBQOSA-N 1 2 463.001 3.375 20 0 JGADLO Cc1ccc([C@@H](Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)NC(C)(C)C)[NH+]2CCOCC2)cc1 ZINC001304276415 1067314879 /nfs/dbraw/zinc/31/48/79/1067314879.db2.gz TXXSAECSPYYBRC-JOCHJYFZSA-N 1 2 479.629 3.006 20 0 JGADLO CC(C)c1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302704645 1067326880 /nfs/dbraw/zinc/32/68/80/1067326880.db2.gz LCHJPJJIDROTMP-ZWKOTPCHSA-N 1 2 462.664 3.454 20 0 JGADLO CC(C)c1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302704645 1067326891 /nfs/dbraw/zinc/32/68/91/1067326891.db2.gz LCHJPJJIDROTMP-ZWKOTPCHSA-N 1 2 462.664 3.454 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCCNc2cccc[nH+]2)c1 ZINC001304288322 1067331838 /nfs/dbraw/zinc/33/18/38/1067331838.db2.gz FNQFRMPELHRTHQ-FQEVSTJZSA-N 1 2 463.586 3.038 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302724291 1067339952 /nfs/dbraw/zinc/33/99/52/1067339952.db2.gz DGSPVAHRFOCUAE-RXVVDRJESA-N 1 2 475.659 3.479 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[N@H+]1CCOCC1(C)C ZINC001302724291 1067339964 /nfs/dbraw/zinc/33/99/64/1067339964.db2.gz DGSPVAHRFOCUAE-RXVVDRJESA-N 1 2 475.659 3.479 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001304291925 1067340140 /nfs/dbraw/zinc/34/01/40/1067340140.db2.gz PDZSPEOODXLIKJ-GMAHTHKFSA-N 1 2 457.619 3.056 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC[S@](=O)C(C)(C)C)o1 ZINC001304295436 1067344389 /nfs/dbraw/zinc/34/43/89/1067344389.db2.gz GOGLVBACDMUJJQ-YTTGMZPUSA-N 1 2 465.664 3.188 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)o1 ZINC001304295696 1067344908 /nfs/dbraw/zinc/34/49/08/1067344908.db2.gz JKLSJXBPVMQOPR-INIZCTEOSA-N 1 2 472.977 3.296 20 0 JGADLO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC001304298018 1067347273 /nfs/dbraw/zinc/34/72/73/1067347273.db2.gz SOLTYSPMNXUMAE-MOPGFXCFSA-N 1 2 482.610 3.397 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CCOC(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)o1 ZINC001304303772 1067352041 /nfs/dbraw/zinc/35/20/41/1067352041.db2.gz BEQPXRSAFAYADG-UHFFFAOYSA-N 1 2 454.575 3.378 20 0 JGADLO Cc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)o1 ZINC001304344046 1067387036 /nfs/dbraw/zinc/38/70/36/1067387036.db2.gz JMBQNNPCAIKPJG-RLLQIKCJSA-N 1 2 488.633 3.307 20 0 JGADLO Cc1ccc(CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)o1 ZINC001304344046 1067387043 /nfs/dbraw/zinc/38/70/43/1067387043.db2.gz JMBQNNPCAIKPJG-RLLQIKCJSA-N 1 2 488.633 3.307 20 0 JGADLO CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001302798480 1067387387 /nfs/dbraw/zinc/38/73/87/1067387387.db2.gz YDLVFWWNEVAJCB-CUYJMHBOSA-N 1 2 490.737 3.159 20 0 JGADLO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001302807550 1067394856 /nfs/dbraw/zinc/39/48/56/1067394856.db2.gz RIBXRQSODQYCRT-SGNDLWITSA-N 1 2 490.737 3.258 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCOCC2)cc1C ZINC001304375708 1067416146 /nfs/dbraw/zinc/41/61/46/1067416146.db2.gz OYLXJXOXSFOEKM-QFIPXVFZSA-N 1 2 484.645 3.263 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCC(F)(F)CC3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001304379997 1067426863 /nfs/dbraw/zinc/42/68/63/1067426863.db2.gz NRCBGDSKWBXINN-UHFFFAOYSA-N 1 2 476.572 3.494 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCC(F)(F)CC3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001304379997 1067426867 /nfs/dbraw/zinc/42/68/67/1067426867.db2.gz NRCBGDSKWBXINN-UHFFFAOYSA-N 1 2 476.572 3.494 20 0 JGADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccsc2)n1CCCS(C)(=O)=O ZINC001302865640 1067446613 /nfs/dbraw/zinc/44/66/13/1067446613.db2.gz ARKVOCSICIYKDX-LJQANCHMSA-N 1 2 473.668 3.076 20 0 JGADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccsc2)n1CCCS(C)(=O)=O ZINC001302865640 1067446615 /nfs/dbraw/zinc/44/66/15/1067446615.db2.gz ARKVOCSICIYKDX-LJQANCHMSA-N 1 2 473.668 3.076 20 0 JGADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001302866765 1067447846 /nfs/dbraw/zinc/44/78/46/1067447846.db2.gz QADITUCGOXOGQG-CTNGQTDRSA-N 1 2 459.660 3.012 20 0 JGADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001302866765 1067447849 /nfs/dbraw/zinc/44/78/49/1067447849.db2.gz QADITUCGOXOGQG-CTNGQTDRSA-N 1 2 459.660 3.012 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001304398504 1067460992 /nfs/dbraw/zinc/46/09/92/1067460992.db2.gz SVVFMZHSFQMNKA-NRFANRHFSA-N 1 2 479.629 3.436 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCCSC2)cc1C ZINC001304404854 1067467379 /nfs/dbraw/zinc/46/73/79/1067467379.db2.gz UYENNLZMRAGRSA-NRFANRHFSA-N 1 2 459.660 3.386 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001304408936 1067474316 /nfs/dbraw/zinc/47/43/16/1067474316.db2.gz YGCWUXFWBMYVDO-WSTZPKSXSA-N 1 2 483.535 3.042 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCNc2cccc[nH+]2)cc1C ZINC001304414060 1067483837 /nfs/dbraw/zinc/48/38/37/1067483837.db2.gz VZBXXDWRVRAQCJ-FQEVSTJZSA-N 1 2 463.586 3.073 20 0 JGADLO Cc1ccc(OCCN(C)c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001304429584 1067507001 /nfs/dbraw/zinc/50/70/01/1067507001.db2.gz RDIRMOXHSPEDOY-FQEVSTJZSA-N 1 2 455.628 3.475 20 0 JGADLO Cc1ccc(OCCN(C)c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001304429584 1067507009 /nfs/dbraw/zinc/50/70/09/1067507009.db2.gz RDIRMOXHSPEDOY-FQEVSTJZSA-N 1 2 455.628 3.475 20 0 JGADLO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001302936661 1067510260 /nfs/dbraw/zinc/51/02/60/1067510260.db2.gz HJQORAOHVCCLIB-UHFFFAOYSA-N 1 2 477.650 3.153 20 0 JGADLO CC(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001302936661 1067510266 /nfs/dbraw/zinc/51/02/66/1067510266.db2.gz HJQORAOHVCCLIB-UHFFFAOYSA-N 1 2 477.650 3.153 20 0 JGADLO Cc1ccc(SCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001304433330 1067511917 /nfs/dbraw/zinc/51/19/17/1067511917.db2.gz DIHBBWRYDDREAA-GOSISDBHSA-N 1 2 465.627 3.055 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C/C=C\c1ccccc1 ZINC001302948610 1067522486 /nfs/dbraw/zinc/52/24/86/1067522486.db2.gz YTXUWIKZJBDCNI-RYGYDFEPSA-N 1 2 450.631 3.323 20 0 JGADLO CC(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001302962564 1067533663 /nfs/dbraw/zinc/53/36/63/1067533663.db2.gz ZHJCTKXDGRHAHQ-OAQYLSRUSA-N 1 2 480.579 3.062 20 0 JGADLO CC(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001302962564 1067533672 /nfs/dbraw/zinc/53/36/72/1067533672.db2.gz ZHJCTKXDGRHAHQ-OAQYLSRUSA-N 1 2 480.579 3.062 20 0 JGADLO CC(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001302962563 1067533753 /nfs/dbraw/zinc/53/37/53/1067533753.db2.gz ZHJCTKXDGRHAHQ-NRFANRHFSA-N 1 2 480.579 3.062 20 0 JGADLO CC(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001302962563 1067533757 /nfs/dbraw/zinc/53/37/57/1067533757.db2.gz ZHJCTKXDGRHAHQ-NRFANRHFSA-N 1 2 480.579 3.062 20 0 JGADLO C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCCCN(C)c2cccc[nH+]2)c1)c1ccccc1 ZINC001302975283 1067541566 /nfs/dbraw/zinc/54/15/66/1067541566.db2.gz QHXDETWFCJQUFC-LJQANCHMSA-N 1 2 452.580 3.377 20 0 JGADLO Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC001304464797 1067542835 /nfs/dbraw/zinc/54/28/35/1067542835.db2.gz USOXZENKDIPDRE-FQEVSTJZSA-N 1 2 474.656 3.026 20 0 JGADLO CC(C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001302993980 1067554998 /nfs/dbraw/zinc/55/49/98/1067554998.db2.gz KOHLZZZPCFLMEE-VCOUNFBDSA-N 1 2 477.650 3.495 20 0 JGADLO Cc1cccc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCCN(C)CC(F)(F)F)n1 ZINC001304478107 1067556432 /nfs/dbraw/zinc/55/64/32/1067556432.db2.gz FJIDKBKMQOOPHU-UHFFFAOYSA-N 1 2 474.535 3.254 20 0 JGADLO Cc1cccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNc2cccc[nH+]2)c1 ZINC001304480954 1067560585 /nfs/dbraw/zinc/56/05/85/1067560585.db2.gz AWWSLHKQDDZUKI-FPOVZHCZSA-N 1 2 483.642 3.435 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)[nH+]1 ZINC001304483935 1067563314 /nfs/dbraw/zinc/56/33/14/1067563314.db2.gz YXXJULUHDVHDQG-FQEVSTJZSA-N 1 2 483.661 3.131 20 0 JGADLO Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(F)c(F)c2)[nH+]1 ZINC001304483887 1067563381 /nfs/dbraw/zinc/56/33/81/1067563381.db2.gz YINDAEZQWIMGDZ-INIZCTEOSA-N 1 2 478.569 3.139 20 0 JGADLO Cc1cccc(CCCn2c(-c3cnccn3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)[nH+]1 ZINC001304487038 1067565545 /nfs/dbraw/zinc/56/55/45/1067565545.db2.gz QXXUITISWKXYEJ-UWJYYQICSA-N 1 2 478.601 3.421 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(F)c2)[nH+]1 ZINC001304487146 1067565735 /nfs/dbraw/zinc/56/57/35/1067565735.db2.gz UQCUMBDKJQHELR-LJQANCHMSA-N 1 2 457.575 3.292 20 0 JGADLO Cc1nc(Cc2nnc(N3CCN(CC(F)F)CC3)n2CCCc2cccc(C)[nH+]2)cs1 ZINC001304488703 1067567097 /nfs/dbraw/zinc/56/70/97/1067567097.db2.gz MSAJTNFUWMHGCU-UHFFFAOYSA-N 1 2 461.586 3.357 20 0 JGADLO Cc1cccc(CCCn2c(N3CCN(c4ccc(C(N)=O)cc4)CC3)nnc2C(C)(C)C)[nH+]1 ZINC001304489129 1067567803 /nfs/dbraw/zinc/56/78/03/1067567803.db2.gz VUWLLWDFWFMWQK-UHFFFAOYSA-N 1 2 461.614 3.337 20 0 JGADLO NC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCNc2cccc[nH+]2)C1 ZINC001303022790 1067574691 /nfs/dbraw/zinc/57/46/91/1067574691.db2.gz PATNZAKTIPGTEL-HNNXBMFYSA-N 1 2 457.941 3.337 20 0 JGADLO Cc1cc([C@](C)(O)Cn2c(COc3cccc(C)c3)nnc2N(C)CC[NH+]2CCOCC2)c(C)o1 ZINC001304504645 1067578787 /nfs/dbraw/zinc/57/87/87/1067578787.db2.gz UFNFVMRHBYTFCE-AREMUKBSSA-N 1 2 483.613 3.051 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001304534271 1067604768 /nfs/dbraw/zinc/60/47/68/1067604768.db2.gz IMLWUUIWZHNPFF-UYAOXDASSA-N 1 2 457.600 3.163 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001304549671 1067618942 /nfs/dbraw/zinc/61/89/42/1067618942.db2.gz AHCLPGFHFFAHSI-GGAORHGYSA-N 1 2 498.672 3.344 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001304549671 1067618945 /nfs/dbraw/zinc/61/89/45/1067618945.db2.gz AHCLPGFHFFAHSI-GGAORHGYSA-N 1 2 498.672 3.344 20 0 JGADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(Cc3ccc(Cl)cc3)nnc1N(C)[C@@H](C)CS(C)(=O)=O)CCC2 ZINC001304609786 1067676882 /nfs/dbraw/zinc/67/68/82/1067676882.db2.gz WZDPFMKSFJVEES-PKOBYXMFSA-N 1 2 491.061 3.474 20 0 JGADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1)CCC2 ZINC001304610217 1067677935 /nfs/dbraw/zinc/67/79/35/1067677935.db2.gz ZPCBUCNAARPNKC-HXUWFJFHSA-N 1 2 457.623 3.474 20 0 JGADLO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)[C@H](C)C1=O ZINC001303182065 1067714425 /nfs/dbraw/zinc/71/44/25/1067714425.db2.gz DTFHCGPFWQXBSZ-HSZRJFAPSA-N 1 2 495.716 3.087 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2CC[NH+]2CCN(Cc3ccccc3)CC2)cs1 ZINC001304649750 1067717599 /nfs/dbraw/zinc/71/75/99/1067717599.db2.gz HEVAGCMMUDXRFO-UHFFFAOYSA-N 1 2 493.603 3.450 20 0 JGADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCCCCC2)C1 ZINC001303200868 1067736621 /nfs/dbraw/zinc/73/66/21/1067736621.db2.gz GJSOFYWRXCSPFW-JOCHJYFZSA-N 1 2 489.686 3.476 20 0 JGADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCCCCC2)C1 ZINC001303200868 1067736628 /nfs/dbraw/zinc/73/66/28/1067736628.db2.gz GJSOFYWRXCSPFW-JOCHJYFZSA-N 1 2 489.686 3.476 20 0 JGADLO Cc1nc(Cc2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCOCCC(C)C)cs1 ZINC001304670716 1067740037 /nfs/dbraw/zinc/74/00/37/1067740037.db2.gz ROMDGBPEQIRHDE-UHFFFAOYSA-N 1 2 455.632 3.418 20 0 JGADLO CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001303235644 1067767656 /nfs/dbraw/zinc/76/76/56/1067767656.db2.gz KWQNXKXUJDGBLV-DENIHFKCSA-N 1 2 478.037 3.483 20 0 JGADLO Cc1ncc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304698579 1067768852 /nfs/dbraw/zinc/76/88/52/1067768852.db2.gz QDRXMWFYUKKSRH-INIZCTEOSA-N 1 2 460.579 3.139 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C)n3CCC3CCN(CC(F)(F)F)CC3)CC2)s1 ZINC001304699377 1067769956 /nfs/dbraw/zinc/76/99/56/1067769956.db2.gz HSBHXMQXRNBFJY-UHFFFAOYSA-N 1 2 471.597 3.338 20 0 JGADLO CC(C)CSCCCn1c(C(=O)NC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001303241360 1067770474 /nfs/dbraw/zinc/77/04/74/1067770474.db2.gz IEGLPKOVGJXZMK-UHFFFAOYSA-N 1 2 459.664 3.219 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCCCCO)CC2)s1 ZINC001304699972 1067770565 /nfs/dbraw/zinc/77/05/65/1067770565.db2.gz OHTMOGSOGBCBJL-UHFFFAOYSA-N 1 2 462.023 3.243 20 0 JGADLO CC(C)CSCCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001303241534 1067770816 /nfs/dbraw/zinc/77/08/16/1067770816.db2.gz NCNCSXRTTLQNQD-FQEVSTJZSA-N 1 2 473.691 3.185 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc([C@H]4CCCOC4)n3CCCCOC(C)C)CC2)s1 ZINC001304700407 1067771062 /nfs/dbraw/zinc/77/10/62/1067771062.db2.gz PTIVOSJJCLQYRB-FQEVSTJZSA-N 1 2 462.664 3.464 20 0 JGADLO Cc1nc(N2CCN(c3nnc(COc4ccc(F)cc4)n3CCCOC(C)C)CC2)cc[nH+]1 ZINC001304701537 1067772656 /nfs/dbraw/zinc/77/26/56/1067772656.db2.gz HCYIJFMRDTYDMT-UHFFFAOYSA-N 1 2 469.565 3.236 20 0 JGADLO Cc1nc(N2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCS(C)(=O)=O)CC2)cc[nH+]1 ZINC001304701910 1067773191 /nfs/dbraw/zinc/77/31/91/1067773191.db2.gz MRXZZCQEHXGUPU-UHFFFAOYSA-N 1 2 497.669 3.102 20 0 JGADLO CC(C)N(C)C(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001303256177 1067782928 /nfs/dbraw/zinc/78/29/28/1067782928.db2.gz VZPQXQUDOWHMTD-OAQYLSRUSA-N 1 2 469.634 3.112 20 0 JGADLO CC(C)N(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303279718 1067808283 /nfs/dbraw/zinc/80/82/83/1067808283.db2.gz CLHAXWUXJVYCRS-FQEVSTJZSA-N 1 2 486.617 3.244 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCNc2cccc[nH+]2)n1 ZINC001304754351 1067835940 /nfs/dbraw/zinc/83/59/40/1067835940.db2.gz MZYVQFIQRBDPTE-HXUWFJFHSA-N 1 2 495.632 3.140 20 0 JGADLO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCS(=O)(=O)c2ccccc2)CC1 ZINC001303311606 1067840650 /nfs/dbraw/zinc/84/06/50/1067840650.db2.gz DQGUETYVVJKUQQ-UHFFFAOYSA-N 1 2 489.045 3.388 20 0 JGADLO CC(C)N1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccc4)n3CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001303317117 1067845464 /nfs/dbraw/zinc/84/54/64/1067845464.db2.gz QKWCYQICACDZDX-HSZRJFAPSA-N 1 2 497.688 3.465 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@H]2CCSC2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001303329424 1067857902 /nfs/dbraw/zinc/85/79/02/1067857902.db2.gz BJUZJJUAXGWSAR-ULQDDVLXSA-N 1 2 466.652 3.032 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@H]2CCSC2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001303329424 1067857905 /nfs/dbraw/zinc/85/79/05/1067857905.db2.gz BJUZJJUAXGWSAR-ULQDDVLXSA-N 1 2 466.652 3.032 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@]1(C)CCCS1 ZINC001303330435 1067859818 /nfs/dbraw/zinc/85/98/18/1067859818.db2.gz POEAGMRUPYOXGT-JPYJTQIMSA-N 1 2 492.715 3.273 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CC1CC(F)(F)C1 ZINC001303331469 1067861361 /nfs/dbraw/zinc/86/13/61/1067861361.db2.gz ZFSSGOPGWDHAHO-KRWDZBQOSA-N 1 2 482.601 3.033 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001303331613 1067861748 /nfs/dbraw/zinc/86/17/48/1067861748.db2.gz OLYNPOWOSSNPIK-FQEVSTJZSA-N 1 2 496.578 3.428 20 0 JGADLO CC(C)NC(=O)c1nnc(N(Cc2cccs2)C(C)C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001303347154 1067873850 /nfs/dbraw/zinc/87/38/50/1067873850.db2.gz HXPGGORJPOYGMI-UHFFFAOYSA-N 1 2 483.642 3.173 20 0 JGADLO Cc1nnc(Cn2c(N(C)C[C@H](c3cccs3)[NH+]3CCOCC3)nnc2C(C)(C)C)s1 ZINC001304787375 1067881641 /nfs/dbraw/zinc/88/16/41/1067881641.db2.gz KTBZOHJNLSHERX-MRXNPFEDSA-N 1 2 461.661 3.355 20 0 JGADLO Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCCN(C)CC(F)(F)F ZINC001304793222 1067883004 /nfs/dbraw/zinc/88/30/04/1067883004.db2.gz ZZIJGOANFTYERB-QGZVFWFLSA-N 1 2 460.570 3.042 20 0 JGADLO Cc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001304794850 1067883392 /nfs/dbraw/zinc/88/33/92/1067883392.db2.gz QFHFAJVITZMZGI-INIZCTEOSA-N 1 2 469.537 3.110 20 0 JGADLO Cc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CCCNc1cccc[nH+]1 ZINC001304834660 1067897015 /nfs/dbraw/zinc/89/70/15/1067897015.db2.gz JUEGWYWPWPGSFO-QGZVFWFLSA-N 1 2 454.966 3.387 20 0 JGADLO O=C(CNC(=O)c1cc(-c2ccccc2)on1)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001303367995 1067897431 /nfs/dbraw/zinc/89/74/31/1067897431.db2.gz IZBSRVZGZWACRG-UHFFFAOYSA-N 1 2 455.518 3.289 20 0 JGADLO Cc1noc(C)c1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001304882426 1067927449 /nfs/dbraw/zinc/92/74/49/1067927449.db2.gz RDEMUJDNBLTAGP-DEOSSOPVSA-N 1 2 469.590 3.069 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(Cn4nc(C)cc4C)n3CCSCC(F)(F)F)CC2)on1 ZINC001304902206 1067946070 /nfs/dbraw/zinc/94/60/70/1067946070.db2.gz UVHLVBZGAZLYIN-UHFFFAOYSA-N 1 2 498.579 3.054 20 0 JGADLO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001303480867 1068001392 /nfs/dbraw/zinc/00/13/92/1068001392.db2.gz GAIRXKHABNBPGC-VGOFRKELSA-N 1 2 484.066 3.391 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001303481235 1068001717 /nfs/dbraw/zinc/00/17/17/1068001717.db2.gz NPPJOQIJERIXLH-DVECYGJZSA-N 1 2 478.037 3.329 20 0 JGADLO CC(C)O[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC(C)(C)c2cccs2)CCOC1 ZINC001303488024 1068011559 /nfs/dbraw/zinc/01/15/59/1068011559.db2.gz WEDQRERPCPMNIO-XMMPIXPASA-N 1 2 477.675 3.126 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2CC(C)(C)[NH+]2CCOCC2)CCOC1 ZINC001303493910 1068019460 /nfs/dbraw/zinc/01/94/60/1068019460.db2.gz IVMSSCWYDPLTMS-CJFMBICVSA-N 1 2 463.667 3.302 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CCO[C@H](C)C3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCOC1 ZINC001303507656 1068041884 /nfs/dbraw/zinc/04/18/84/1068041884.db2.gz WPZXDULWEUATLC-WSCWJOSJSA-N 1 2 479.572 3.125 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C)C3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCOC1 ZINC001303507655 1068042110 /nfs/dbraw/zinc/04/21/10/1068042110.db2.gz WPZXDULWEUATLC-WPSZSDGUSA-N 1 2 479.572 3.125 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001305034594 1068091001 /nfs/dbraw/zinc/09/10/01/1068091001.db2.gz KYMBKFHCVGKORR-GJYPPUQNSA-N 1 2 484.617 3.096 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001305034600 1068091509 /nfs/dbraw/zinc/09/15/09/1068091509.db2.gz KYMBKFHCVGKORR-MDZRGWNJSA-N 1 2 484.617 3.096 20 0 JGADLO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001303603260 1068134761 /nfs/dbraw/zinc/13/47/61/1068134761.db2.gz RNGBEIQCFDHFEN-OZOXKJRCSA-N 1 2 489.667 3.448 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCS[C@H](C)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305064703 1068135626 /nfs/dbraw/zinc/13/56/26/1068135626.db2.gz DMQYGRVFZCPLIM-GOSISDBHSA-N 1 2 457.648 3.038 20 0 JGADLO CC(C)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305066761 1068139145 /nfs/dbraw/zinc/13/91/45/1068139145.db2.gz OHCFSGQEBCOPRG-UHFFFAOYSA-N 1 2 460.648 3.095 20 0 JGADLO CC1CCN(c2ccc(Cn3c(N4CCC(S(C)(=O)=O)CC4)nnc3C(C)(C)C)c[nH+]2)CC1 ZINC001305067125 1068139650 /nfs/dbraw/zinc/13/96/50/1068139650.db2.gz RBVLNYZYFPSZOU-UHFFFAOYSA-N 1 2 474.675 3.269 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C)CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305068584 1068142353 /nfs/dbraw/zinc/14/23/53/1068142353.db2.gz ZMFORBVBWARFPD-LJQANCHMSA-N 1 2 489.690 3.194 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)[C@@H]1C ZINC001305087097 1068157080 /nfs/dbraw/zinc/15/70/80/1068157080.db2.gz POCGNIDYWCATJC-PLACYPQZSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)[C@@H]1C ZINC001305087097 1068157084 /nfs/dbraw/zinc/15/70/84/1068157084.db2.gz POCGNIDYWCATJC-PLACYPQZSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)[C@@H]1C ZINC001305087098 1068157126 /nfs/dbraw/zinc/15/71/26/1068157126.db2.gz POCGNIDYWCATJC-XRXFAXGQSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)[C@@H]1C ZINC001305087098 1068157134 /nfs/dbraw/zinc/15/71/34/1068157134.db2.gz POCGNIDYWCATJC-XRXFAXGQSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)[C@H]1C ZINC001305091495 1068160061 /nfs/dbraw/zinc/16/00/61/1068160061.db2.gz JZIYFSFOYOUYNJ-AABGKKOBSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)[C@H]1C ZINC001305091495 1068160072 /nfs/dbraw/zinc/16/00/72/1068160072.db2.gz JZIYFSFOYOUYNJ-AABGKKOBSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001303652072 1068181670 /nfs/dbraw/zinc/18/16/70/1068181670.db2.gz HATFGMNCGIAHJP-LRXVAGHRSA-N 1 2 465.602 3.131 20 0 JGADLO C[C@@H]1CN(c2ccc(Cn3c([C@H]4CCCCO4)nnc3N(C)CCC(F)F)c[nH+]2)CCO1 ZINC001305121315 1068203988 /nfs/dbraw/zinc/20/39/88/1068203988.db2.gz IFNSONBQDMVPGE-SJLPKXTDSA-N 1 2 450.534 3.280 20 0 JGADLO C[C@@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)[nH+]c1)c1nccs1 ZINC001303676460 1068215035 /nfs/dbraw/zinc/21/50/35/1068215035.db2.gz YQFMTUVKYGLMSJ-INIZCTEOSA-N 1 2 477.598 3.131 20 0 JGADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)Oc1ccccc1 ZINC001303687901 1068225790 /nfs/dbraw/zinc/22/57/90/1068225790.db2.gz KWEHFGKYWRNWJM-LEWJYISDSA-N 1 2 454.619 3.002 20 0 JGADLO C[C@H](Cn1c(C2CCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC001303714554 1068261340 /nfs/dbraw/zinc/26/13/40/1068261340.db2.gz ZMCVRMFVGHJANV-QRVBRYPASA-N 1 2 459.660 3.250 20 0 JGADLO C[C@H](Cn1c(C2CCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC001303714554 1068261350 /nfs/dbraw/zinc/26/13/50/1068261350.db2.gz ZMCVRMFVGHJANV-QRVBRYPASA-N 1 2 459.660 3.250 20 0 JGADLO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)[NH+]1CCOCC1 ZINC001303724198 1068275523 /nfs/dbraw/zinc/27/55/23/1068275523.db2.gz JNOCCWJSRGNOMN-UXHICEINSA-N 1 2 458.626 3.442 20 0 JGADLO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@H](C)c1cc(F)ccc1F)[NH+]1CCOCC1 ZINC001303732327 1068288297 /nfs/dbraw/zinc/28/82/97/1068288297.db2.gz UHJNLJIJJHFMAQ-QZTJIDSGSA-N 1 2 456.541 3.460 20 0 JGADLO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303734155 1068290077 /nfs/dbraw/zinc/29/00/77/1068290077.db2.gz CNPPHJVHVZQXJU-JTHBVZDNSA-N 1 2 455.647 3.425 20 0 JGADLO C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCNc2cccc[nH+]2)CCN1CC(F)(F)F ZINC001305177911 1068292076 /nfs/dbraw/zinc/29/20/76/1068292076.db2.gz GPLXIGFYSDHKTO-ZWKOTPCHSA-N 1 2 467.540 3.490 20 0 JGADLO C[C@H](Cn1c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001303742536 1068301054 /nfs/dbraw/zinc/30/10/54/1068301054.db2.gz ABUVQCMSYAJDAU-LJQANCHMSA-N 1 2 461.054 3.272 20 0 JGADLO CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC001303749290 1068310162 /nfs/dbraw/zinc/31/01/62/1068310162.db2.gz NAZQGZNUFYYLEY-SQJMNOBHSA-N 1 2 452.555 3.301 20 0 JGADLO C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(-c2ccc[nH]2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001303763691 1068332676 /nfs/dbraw/zinc/33/26/76/1068332676.db2.gz ZHIVEGWEDMCOFC-KRWDZBQOSA-N 1 2 480.617 3.458 20 0 JGADLO C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCS1 ZINC001305211139 1068340706 /nfs/dbraw/zinc/34/07/06/1068340706.db2.gz DQISYRBBZRSYEU-IRXDYDNUSA-N 1 2 452.024 3.173 20 0 JGADLO C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CCS1 ZINC001305211139 1068340728 /nfs/dbraw/zinc/34/07/28/1068340728.db2.gz DQISYRBBZRSYEU-IRXDYDNUSA-N 1 2 452.024 3.173 20 0 JGADLO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)S1 ZINC001305213121 1068344683 /nfs/dbraw/zinc/34/46/83/1068344683.db2.gz ZDFOYAMNGIDYLU-IYBDPMFKSA-N 1 2 471.656 3.109 20 0 JGADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(Cl)c2)n1CCCNc1cccc[nH+]1 ZINC001303771328 1068347202 /nfs/dbraw/zinc/34/72/02/1068347202.db2.gz KHPBOFIOFFZEOD-MRXNPFEDSA-N 1 2 463.007 3.365 20 0 JGADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1CCc1cn2ccccc2[nH+]1 ZINC001303775684 1068354739 /nfs/dbraw/zinc/35/47/39/1068354739.db2.gz YUDKKSHKIBNQIH-MRXNPFEDSA-N 1 2 473.002 3.358 20 0 JGADLO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001305265143 1068444091 /nfs/dbraw/zinc/44/40/91/1068444091.db2.gz GPSPLVQINFOSGY-MZYLBHOOSA-N 1 2 468.646 3.036 20 0 JGADLO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001305265152 1068444949 /nfs/dbraw/zinc/44/49/49/1068444949.db2.gz GPSPLVQINFOSGY-YMPZKCBVSA-N 1 2 468.646 3.036 20 0 JGADLO CCC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1 ZINC001305265322 1068445434 /nfs/dbraw/zinc/44/54/34/1068445434.db2.gz MAZIPMJDCIFOOW-GOTSBHOMSA-N 1 2 482.673 3.453 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001303828953 1068451052 /nfs/dbraw/zinc/45/10/52/1068451052.db2.gz PXDXLYZUTDAIFD-NQIIRXRSSA-N 1 2 485.658 3.054 20 0 JGADLO CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001305277973 1068479552 /nfs/dbraw/zinc/47/95/52/1068479552.db2.gz NPXMZMXVBGCVMT-UHFFFAOYSA-N 1 2 468.650 3.499 20 0 JGADLO CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001305278115 1068480127 /nfs/dbraw/zinc/48/01/27/1068480127.db2.gz PKZQNHXFZACXBK-UHFFFAOYSA-N 1 2 483.642 3.210 20 0 JGADLO CC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001305286542 1068487775 /nfs/dbraw/zinc/48/77/75/1068487775.db2.gz GZWRAMLTAVPHKU-AREMUKBSSA-N 1 2 477.613 3.332 20 0 JGADLO CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001305293514 1068497800 /nfs/dbraw/zinc/49/78/00/1068497800.db2.gz KHNVGLZQHPXAJO-XDHUDOTRSA-N 1 2 493.027 3.032 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@H]1CC[C@H](F)C1 ZINC001303866184 1068503462 /nfs/dbraw/zinc/50/34/62/1068503462.db2.gz YHICHACUXRHLRJ-QRFRQXIXSA-N 1 2 499.056 3.002 20 0 JGADLO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001305326700 1068548357 /nfs/dbraw/zinc/54/83/57/1068548357.db2.gz KARVGHXLMKQYEO-CLOONOSVSA-N 1 2 468.602 3.166 20 0 JGADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1=CCCOC1 ZINC001303907769 1068554801 /nfs/dbraw/zinc/55/48/01/1068554801.db2.gz YVWMSSGVCZIDGE-SFHVURJKSA-N 1 2 461.994 3.187 20 0 JGADLO CC[C@@H](C)[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001305334956 1068565403 /nfs/dbraw/zinc/56/54/03/1068565403.db2.gz JRRAQWNQEZPXJG-HXOBKFHXSA-N 1 2 455.632 3.153 20 0 JGADLO CC[C@H](C)[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001305335839 1068567282 /nfs/dbraw/zinc/56/72/82/1068567282.db2.gz MSEOTYIDRKTBCU-QMHKHESXSA-N 1 2 473.647 3.050 20 0 JGADLO CC[C@H](C)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)OC ZINC001305337710 1068570917 /nfs/dbraw/zinc/57/09/17/1068570917.db2.gz BLPYWUZIHLBOML-RXVVDRJESA-N 1 2 477.053 3.453 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001303926001 1068583210 /nfs/dbraw/zinc/58/32/10/1068583210.db2.gz GVYMZGIPPCLQFS-QGZVFWFLSA-N 1 2 479.622 3.055 20 0 JGADLO CC[C@@H](C)[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1)OC ZINC001305364843 1068620521 /nfs/dbraw/zinc/62/05/21/1068620521.db2.gz XQDYVTRMVQEJLU-HKBOAZHASA-N 1 2 494.681 3.180 20 0 JGADLO CC[C@@H](C)c1nnc(N(CCO)Cc2ccc(F)c(Br)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305408404 1068647440 /nfs/dbraw/zinc/64/74/40/1068647440.db2.gz WNIIDMVAYOADSP-IAGOWNOFSA-N 1 2 498.441 3.413 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305424061 1068659404 /nfs/dbraw/zinc/65/94/04/1068659404.db2.gz CFKYWUYDUJRSGT-AEFFLSMTSA-N 1 2 459.557 3.496 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305424741 1068660785 /nfs/dbraw/zinc/66/07/85/1068660785.db2.gz GSQHCCRSJKEZNZ-OAHLLOKOSA-N 1 2 469.619 3.008 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001305426388 1068663490 /nfs/dbraw/zinc/66/34/90/1068663490.db2.gz OWDFWULBCLDQLZ-UXHICEINSA-N 1 2 460.667 3.034 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001305426389 1068663501 /nfs/dbraw/zinc/66/35/01/1068663501.db2.gz OWDFWULBCLDQLZ-VQTJNVASSA-N 1 2 460.667 3.034 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001305426387 1068663595 /nfs/dbraw/zinc/66/35/95/1068663595.db2.gz OWDFWULBCLDQLZ-PMACEKPBSA-N 1 2 460.667 3.034 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305441230 1068675722 /nfs/dbraw/zinc/67/57/22/1068675722.db2.gz FLINOKUWPFGPAU-SLFFLAALSA-N 1 2 464.655 3.206 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305441230 1068675728 /nfs/dbraw/zinc/67/57/28/1068675728.db2.gz FLINOKUWPFGPAU-SLFFLAALSA-N 1 2 464.655 3.206 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001305456438 1068696508 /nfs/dbraw/zinc/69/65/08/1068696508.db2.gz HBMANMVWZVZVKT-HYBUGGRVSA-N 1 2 468.646 3.278 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001305456440 1068696674 /nfs/dbraw/zinc/69/66/74/1068696674.db2.gz HBMANMVWZVZVKT-RDPSFJRHSA-N 1 2 468.646 3.278 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305460516 1068703131 /nfs/dbraw/zinc/70/31/31/1068703131.db2.gz RRPCDDWIKXAAQJ-MSOLQXFVSA-N 1 2 463.573 3.279 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001305494004 1068731718 /nfs/dbraw/zinc/73/17/18/1068731718.db2.gz XYQWIRSGSIEBPY-ZWOKBUDYSA-N 1 2 498.644 3.138 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCN(c3nc(C)ns3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305505777 1068742165 /nfs/dbraw/zinc/74/21/65/1068742165.db2.gz OZWIIBXWLCJBPI-MRXNPFEDSA-N 1 2 455.636 3.178 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001305514660 1068761249 /nfs/dbraw/zinc/76/12/49/1068761249.db2.gz IFLDFQZFNTVMEL-FYYLOGMGSA-N 1 2 497.688 3.495 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCOC1CCCC1 ZINC001305518094 1068767761 /nfs/dbraw/zinc/76/77/61/1068767761.db2.gz GHNPHTCBIOZHBK-RTWAWAEBSA-N 1 2 460.667 3.274 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001305519066 1068769317 /nfs/dbraw/zinc/76/93/17/1068769317.db2.gz PDVBXOZYHLKJNQ-QZTJIDSGSA-N 1 2 493.578 3.387 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](OC)c1ccc(F)cc1 ZINC001305520296 1068771937 /nfs/dbraw/zinc/77/19/37/1068771937.db2.gz VYLFSRMOJJSWOL-SXWKCWPCSA-N 1 2 486.636 3.451 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001305528716 1068782374 /nfs/dbraw/zinc/78/23/74/1068782374.db2.gz MPPWHPPQAMQXGQ-SFHVURJKSA-N 1 2 489.690 3.307 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCCC(=O)NC1CC1 ZINC001305529102 1068783582 /nfs/dbraw/zinc/78/35/82/1068783582.db2.gz PRXNZESNDKRKQA-SFHVURJKSA-N 1 2 468.650 3.399 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CC(F)(F)C1(OC)CCOCC1 ZINC001305536373 1068798664 /nfs/dbraw/zinc/79/86/64/1068798664.db2.gz XUBGXVOOJKMTPL-KRWDZBQOSA-N 1 2 479.576 3.048 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001305541167 1068811971 /nfs/dbraw/zinc/81/19/71/1068811971.db2.gz MRHQHOSSXYCBAV-GOSISDBHSA-N 1 2 497.669 3.404 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@H]1CC(=O)N(CCOC)C1 ZINC001305541160 1068812135 /nfs/dbraw/zinc/81/21/35/1068812135.db2.gz WURGZYVXBFQILB-CTNGQTDRSA-N 1 2 489.064 3.262 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCc1cccc(C(=O)NC)c1 ZINC001305541649 1068812519 /nfs/dbraw/zinc/81/25/19/1068812519.db2.gz PJTJWRSPTOIVQK-GOSISDBHSA-N 1 2 481.670 3.481 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001305542887 1068816185 /nfs/dbraw/zinc/81/61/85/1068816185.db2.gz GOXDBOURLKMGLQ-RBBKRZOGSA-N 1 2 459.660 3.124 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCc1cccc(OC)c1 ZINC001305544576 1068820932 /nfs/dbraw/zinc/82/09/32/1068820932.db2.gz RAPCHACQMFPIHG-DHLKQENFSA-N 1 2 484.689 3.274 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CC(C)(C)c1ccccn1 ZINC001305545340 1068822983 /nfs/dbraw/zinc/82/29/83/1068822983.db2.gz VRSQXIUURZEKPI-XZOQPEGZSA-N 1 2 483.705 3.396 20 0 JGADLO CC[C@@H](c1nnc(N(C)Cc2scnc2C)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305652246 1068990611 /nfs/dbraw/zinc/99/06/11/1068990611.db2.gz ITBYRQFJUGUISQ-JOCHJYFZSA-N 1 2 481.670 3.385 20 0 JGADLO CC[C@@H](c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305663382 1069004362 /nfs/dbraw/zinc/00/43/62/1069004362.db2.gz XXJLSTBKQJDEKU-TXTKFYIRSA-N 1 2 470.687 3.314 20 0 JGADLO CC[C@H](c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305663375 1069004496 /nfs/dbraw/zinc/00/44/96/1069004496.db2.gz XXJLSTBKQJDEKU-MZKRTTBSSA-N 1 2 470.687 3.314 20 0 JGADLO CC[C@@H](c1nnc(N2CCC(F)(F)CC2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305669181 1069013474 /nfs/dbraw/zinc/01/34/74/1069013474.db2.gz XYCHBVIMAGDMDE-OAQYLSRUSA-N 1 2 460.573 3.220 20 0 JGADLO CCC(CC)(Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)OC ZINC001305692453 1069061220 /nfs/dbraw/zinc/06/12/20/1069061220.db2.gz FFBREALSQOELHE-UHFFFAOYSA-N 1 2 456.620 3.027 20 0 JGADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)c2ccc3c(c2)N(C(=O)OC(C)(C)C)CC3)cc[nH+]1 ZINC001305699158 1069077450 /nfs/dbraw/zinc/07/74/50/1069077450.db2.gz QHDJVAWJMGALBO-RBUKOAKNSA-N 1 2 453.543 3.082 20 0 JGADLO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(C)C)CC1)[NH+]1CCOCC1 ZINC001305711813 1069111641 /nfs/dbraw/zinc/11/16/41/1069111641.db2.gz DKQUUEZKVWOWIE-GOTSBHOMSA-N 1 2 495.734 3.190 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C)s2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305722852 1069135044 /nfs/dbraw/zinc/13/50/44/1069135044.db2.gz KRKPQMHLLUQWCH-UHFFFAOYSA-N 1 2 497.669 3.483 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCSC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001305724431 1069139295 /nfs/dbraw/zinc/13/92/95/1069139295.db2.gz RPYCOBBQQPMRFS-NRFANRHFSA-N 1 2 467.643 3.431 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)CC2CCOCC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001305728211 1069147686 /nfs/dbraw/zinc/14/76/86/1069147686.db2.gz IULSASPYNNWPNT-LJQANCHMSA-N 1 2 457.623 3.142 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC(C)(OC)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305736253 1069157823 /nfs/dbraw/zinc/15/78/23/1069157823.db2.gz OCANNKAYRUPKOH-UHFFFAOYSA-N 1 2 469.634 3.101 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305739952 1069168134 /nfs/dbraw/zinc/16/81/34/1069168134.db2.gz OVXFCGLYWCQZAF-QWFCFKBJSA-N 1 2 483.665 3.322 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305739952 1069168139 /nfs/dbraw/zinc/16/81/39/1069168139.db2.gz OVXFCGLYWCQZAF-QWFCFKBJSA-N 1 2 483.665 3.322 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305743664 1069180655 /nfs/dbraw/zinc/18/06/55/1069180655.db2.gz NSUMVXBQTTXGIO-QZTJIDSGSA-N 1 2 457.623 3.100 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001305747104 1069190393 /nfs/dbraw/zinc/19/03/93/1069190393.db2.gz FAVFEAZVOCLWKZ-UGKGYDQZSA-N 1 2 483.661 3.491 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC[C@@H](OC)C(F)(F)F ZINC001305759908 1069223188 /nfs/dbraw/zinc/22/31/88/1069223188.db2.gz RQXDCSDCNVCZPX-GOSISDBHSA-N 1 2 497.566 3.188 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(OC)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001305766453 1069237759 /nfs/dbraw/zinc/23/77/59/1069237759.db2.gz HNFMXCAIHCQCSJ-MHZLTWQESA-N 1 2 498.672 3.082 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305768132 1069240777 /nfs/dbraw/zinc/24/07/77/1069240777.db2.gz WJZQSQSMYSBIJC-MRXNPFEDSA-N 1 2 474.572 3.086 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)(F)F)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001305768132 1069240787 /nfs/dbraw/zinc/24/07/87/1069240787.db2.gz WJZQSQSMYSBIJC-MRXNPFEDSA-N 1 2 474.572 3.086 20 0 JGADLO CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001305771285 1069248004 /nfs/dbraw/zinc/24/80/04/1069248004.db2.gz OHRAKNSZMQHANN-QHCPKHFHSA-N 1 2 454.596 3.282 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H](C)Oc1ccccc1 ZINC001305782428 1069275021 /nfs/dbraw/zinc/27/50/21/1069275021.db2.gz BHRNHDZRWXGQQH-FQEVSTJZSA-N 1 2 477.613 3.386 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@]1(O)CCC[C@H]1C ZINC001305787289 1069293162 /nfs/dbraw/zinc/29/31/62/1069293162.db2.gz JAAJSPABVFYAPX-NIYFSFCBSA-N 1 2 486.636 3.209 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001305787290 1069293828 /nfs/dbraw/zinc/29/38/28/1069293828.db2.gz JAAJSPABVFYAPX-SIBVEZHUSA-N 1 2 486.636 3.209 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1Cc1c[nH+]ccc1OC ZINC001305793611 1069309892 /nfs/dbraw/zinc/30/98/92/1069309892.db2.gz ZJSDQRLXIMABKH-QFIPXVFZSA-N 1 2 482.560 3.365 20 0 JGADLO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C(=O)c4ccccc4[C@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164409870 718848041 /nfs/dbraw/zinc/84/80/41/718848041.db2.gz XNHPGSJLFTUCBS-UIFIKXQLSA-N 1 2 462.594 3.297 20 0 JGADLO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3C(=O)c4ccccc4[C@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164409870 718848042 /nfs/dbraw/zinc/84/80/42/718848042.db2.gz XNHPGSJLFTUCBS-UIFIKXQLSA-N 1 2 462.594 3.297 20 0 JGADLO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164409875 718848112 /nfs/dbraw/zinc/84/81/12/718848112.db2.gz XNHPGSJLFTUCBS-YYWHXJBOSA-N 1 2 462.594 3.297 20 0 JGADLO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164409875 718848113 /nfs/dbraw/zinc/84/81/13/718848113.db2.gz XNHPGSJLFTUCBS-YYWHXJBOSA-N 1 2 462.594 3.297 20 0 JGADLO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418584 718890454 /nfs/dbraw/zinc/89/04/54/718890454.db2.gz PDCGEJDDEFDOOM-CYBMUJFWSA-N 1 2 486.704 3.367 20 0 JGADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4cc(Cl)c(Cl)cc4nc3Cl)CC2)C1=O ZINC001164635409 719271955 /nfs/dbraw/zinc/27/19/55/719271955.db2.gz QLBMEXZXQRHDHQ-UHFFFAOYSA-N 1 2 472.804 3.349 20 0 JGADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4cc(Cl)c(Cl)cc4nc3Cl)CC2)C1=O ZINC001164635409 719271957 /nfs/dbraw/zinc/27/19/57/719271957.db2.gz QLBMEXZXQRHDHQ-UHFFFAOYSA-N 1 2 472.804 3.349 20 0 JGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@H]5[C@@H](OCc6ccncc6)CC[C@@H]54)c3C2)cc1 ZINC001164645107 719292439 /nfs/dbraw/zinc/29/24/39/719292439.db2.gz CBUBQKNXECEDCN-GSDHBNRESA-N 1 2 457.578 3.383 20 0 JGADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@H]5[C@@H](OCc6ccncc6)CC[C@@H]54)c3C2)cc1 ZINC001164645107 719292446 /nfs/dbraw/zinc/29/24/46/719292446.db2.gz CBUBQKNXECEDCN-GSDHBNRESA-N 1 2 457.578 3.383 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)CC2 ZINC001164658965 719350630 /nfs/dbraw/zinc/35/06/30/719350630.db2.gz NPEZBJOJYOLBMN-NRFANRHFSA-N 1 2 498.635 3.117 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)CC2 ZINC001164658965 719350633 /nfs/dbraw/zinc/35/06/33/719350633.db2.gz NPEZBJOJYOLBMN-NRFANRHFSA-N 1 2 498.635 3.117 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ccc1S(N)(=O)=O)CC2 ZINC001164659929 719355575 /nfs/dbraw/zinc/35/55/75/719355575.db2.gz SPCMLNYJEDQDIG-UHFFFAOYSA-N 1 2 487.029 3.077 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ccc1S(N)(=O)=O)CC2 ZINC001164659929 719355577 /nfs/dbraw/zinc/35/55/77/719355577.db2.gz SPCMLNYJEDQDIG-UHFFFAOYSA-N 1 2 487.029 3.077 20 0 JGADLO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164670018 719510971 /nfs/dbraw/zinc/51/09/71/719510971.db2.gz AQIOMDOQBGORCT-UHFFFAOYSA-N 1 2 462.953 3.379 20 0 JGADLO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164670018 719510982 /nfs/dbraw/zinc/51/09/82/719510982.db2.gz AQIOMDOQBGORCT-UHFFFAOYSA-N 1 2 462.953 3.379 20 0 JGADLO O=S(=O)(c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1)N1CCCCC1 ZINC001164678708 719525526 /nfs/dbraw/zinc/52/55/26/719525526.db2.gz MOPJCPJUBPURPY-UHFFFAOYSA-N 1 2 488.629 3.267 20 0 JGADLO O=S(=O)(c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1)N1CCCCC1 ZINC001164678708 719525537 /nfs/dbraw/zinc/52/55/37/719525537.db2.gz MOPJCPJUBPURPY-UHFFFAOYSA-N 1 2 488.629 3.267 20 0 JGADLO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164679384 719532305 /nfs/dbraw/zinc/53/23/05/719532305.db2.gz ZKBXJMPREHNOCT-INIZCTEOSA-N 1 2 462.953 3.417 20 0 JGADLO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164679384 719532308 /nfs/dbraw/zinc/53/23/08/719532308.db2.gz ZKBXJMPREHNOCT-INIZCTEOSA-N 1 2 462.953 3.417 20 0 JGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)cc(O[C@@H]4CCOC4)n2)CC3)cc1 ZINC001164679187 719532516 /nfs/dbraw/zinc/53/25/16/719532516.db2.gz UXYLALNMTGTPCB-LJQANCHMSA-N 1 2 462.953 3.308 20 0 JGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)cc(O[C@@H]4CCOC4)n2)CC3)cc1 ZINC001164679187 719532525 /nfs/dbraw/zinc/53/25/25/719532525.db2.gz UXYLALNMTGTPCB-LJQANCHMSA-N 1 2 462.953 3.308 20 0 JGADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(F)(F)Oc3cnc(Cl)cn3)CC2)cc1 ZINC001164699599 719830621 /nfs/dbraw/zinc/83/06/21/719830621.db2.gz XXONZHQBYOIEHA-UHFFFAOYSA-N 1 2 474.899 3.459 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)Nc2cccc(Cl)c2)cn1 ZINC001164703808 719868957 /nfs/dbraw/zinc/86/89/57/719868957.db2.gz KQPBEBRJAJHZHV-YKSBVNFPSA-N 1 2 472.973 3.220 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(OC)c1 ZINC001164697698 719878814 /nfs/dbraw/zinc/87/88/14/719878814.db2.gz DBMDUNGTEIENIJ-HJPURHCSSA-N 1 2 476.961 3.164 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3cc(OCc4ccccc4)ccc3n1)CC2 ZINC001164709476 719912402 /nfs/dbraw/zinc/91/24/02/719912402.db2.gz VULUUQBYYKRSLU-UHFFFAOYSA-N 1 2 496.615 3.498 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3scc(-c4cccs4)c31)CC2 ZINC001164705254 720047408 /nfs/dbraw/zinc/04/74/08/720047408.db2.gz XHTMZSOGMMZROL-UHFFFAOYSA-N 1 2 479.635 3.104 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)C2)C1 ZINC001164720433 720237691 /nfs/dbraw/zinc/23/76/91/720237691.db2.gz VVTPWWRAIJIOPW-HXUWFJFHSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)C2)C1 ZINC001164720433 720237694 /nfs/dbraw/zinc/23/76/94/720237694.db2.gz VVTPWWRAIJIOPW-HXUWFJFHSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C2)C1 ZINC001164717531 720240140 /nfs/dbraw/zinc/24/01/40/720240140.db2.gz ALHXQRHBLVMIGN-OAQYLSRUSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C2)C1 ZINC001164717531 720240145 /nfs/dbraw/zinc/24/01/45/720240145.db2.gz ALHXQRHBLVMIGN-OAQYLSRUSA-N 1 2 452.933 3.098 20 0 JGADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164721362 720306887 /nfs/dbraw/zinc/30/68/87/720306887.db2.gz GPTYLOSWPOPHHW-XMMPIXPASA-N 1 2 474.005 3.150 20 0 JGADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164721362 720306893 /nfs/dbraw/zinc/30/68/93/720306893.db2.gz GPTYLOSWPOPHHW-XMMPIXPASA-N 1 2 474.005 3.150 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(Cl)c3)C2)C1 ZINC001164725517 720306912 /nfs/dbraw/zinc/30/69/12/720306912.db2.gz WNBKAWKTQORHSW-QFIPXVFZSA-N 1 2 480.396 3.241 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(Cl)c3)C2)C1 ZINC001164725517 720306921 /nfs/dbraw/zinc/30/69/21/720306921.db2.gz WNBKAWKTQORHSW-QFIPXVFZSA-N 1 2 480.396 3.241 20 0 JGADLO CCc1cccc(Oc2nc(Cl)ncc2N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)c1 ZINC001164721027 720307171 /nfs/dbraw/zinc/30/71/71/720307171.db2.gz CUCKZFWSWKLWAR-XMMPIXPASA-N 1 2 474.005 3.150 20 0 JGADLO CCc1cccc(Oc2nc(Cl)ncc2N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c1 ZINC001164721027 720307180 /nfs/dbraw/zinc/30/71/80/720307180.db2.gz CUCKZFWSWKLWAR-XMMPIXPASA-N 1 2 474.005 3.150 20 0 JGADLO CCc1ccc(Oc2nc(Cl)ncc2N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)cc1 ZINC001164723836 720308385 /nfs/dbraw/zinc/30/83/85/720308385.db2.gz PKHGQSIQBIIDSB-DEOSSOPVSA-N 1 2 474.005 3.150 20 0 JGADLO CCc1ccc(Oc2nc(Cl)ncc2N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)cc1 ZINC001164723836 720308394 /nfs/dbraw/zinc/30/83/94/720308394.db2.gz PKHGQSIQBIIDSB-DEOSSOPVSA-N 1 2 474.005 3.150 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)C2)C1 ZINC001164721774 720309794 /nfs/dbraw/zinc/30/97/94/720309794.db2.gz HRTLSHODDAYPOY-JOCHJYFZSA-N 1 2 497.949 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(-c4ccccc4F)nnc3Cl)C2)C1 ZINC001164721774 720309800 /nfs/dbraw/zinc/30/98/00/720309800.db2.gz HRTLSHODDAYPOY-JOCHJYFZSA-N 1 2 497.949 3.146 20 0 JGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(-c2ccc(Cl)nc2)no1 ZINC001164725515 720317158 /nfs/dbraw/zinc/31/71/58/720317158.db2.gz WLOUFTNYWUDNHN-OAHLLOKOSA-N 1 2 465.892 3.347 20 0 JGADLO CSc1nc2sccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164826816 720361191 /nfs/dbraw/zinc/36/11/91/720361191.db2.gz ZLXXOHMOWUZSAK-UHFFFAOYSA-N 1 2 474.681 3.491 20 0 JGADLO CSc1nc2sccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164826816 720361198 /nfs/dbraw/zinc/36/11/98/720361198.db2.gz ZLXXOHMOWUZSAK-UHFFFAOYSA-N 1 2 474.681 3.491 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4CCCCC5)CC3)C2=O)cs1 ZINC001164825725 720368129 /nfs/dbraw/zinc/36/81/29/720368129.db2.gz UJDRUUVTRMYWGB-UHFFFAOYSA-N 1 2 475.062 3.477 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4CCCCC5)CC3)C2=O)cs1 ZINC001164825725 720368138 /nfs/dbraw/zinc/36/81/38/720368138.db2.gz UJDRUUVTRMYWGB-UHFFFAOYSA-N 1 2 475.062 3.477 20 0 JGADLO CCc1c(Cl)nnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1CC ZINC001164820752 720371923 /nfs/dbraw/zinc/37/19/23/720371923.db2.gz SZINQVKBKFMPGS-UHFFFAOYSA-N 1 2 463.051 3.333 20 0 JGADLO CCc1c(Cl)nnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1CC ZINC001164820752 720371927 /nfs/dbraw/zinc/37/19/27/720371927.db2.gz SZINQVKBKFMPGS-UHFFFAOYSA-N 1 2 463.051 3.333 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5ccc(Cl)cc5n4)CC3)C2=O)cs1 ZINC001164819677 720372703 /nfs/dbraw/zinc/37/27/03/720372703.db2.gz FPAJWDQCYYDDIR-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5ccc(Cl)cc5n4)CC3)C2=O)cs1 ZINC001164819677 720372713 /nfs/dbraw/zinc/37/27/13/720372713.db2.gz FPAJWDQCYYDDIR-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C(C)(C)C)nc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164820736 720377547 /nfs/dbraw/zinc/37/75/47/720377547.db2.gz SAJYLTCPGWKGTP-UHFFFAOYSA-N 1 2 467.643 3.334 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C(C)(C)C)nc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164820736 720377552 /nfs/dbraw/zinc/37/75/52/720377552.db2.gz SAJYLTCPGWKGTP-UHFFFAOYSA-N 1 2 467.643 3.334 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c(Cl)nccc54)CC3)C2=O)cs1 ZINC001164819322 720378403 /nfs/dbraw/zinc/37/84/03/720378403.db2.gz CKRCTWOQWHLTAL-UHFFFAOYSA-N 1 2 492.436 3.410 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c(Cl)nccc54)CC3)C2=O)cs1 ZINC001164819322 720378409 /nfs/dbraw/zinc/37/84/09/720378409.db2.gz CKRCTWOQWHLTAL-UHFFFAOYSA-N 1 2 492.436 3.410 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5ccccc5F)nn4)CC3)C2=O)cs1 ZINC001164823654 720381490 /nfs/dbraw/zinc/38/14/90/720381490.db2.gz PDHUJVHULYFGKZ-UHFFFAOYSA-N 1 2 466.586 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5ccccc5F)nn4)CC3)C2=O)cs1 ZINC001164823654 720381495 /nfs/dbraw/zinc/38/14/95/720381495.db2.gz PDHUJVHULYFGKZ-UHFFFAOYSA-N 1 2 466.586 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(-c5cccnc5)nc5c4CCC5)CC3)C2=O)cs1 ZINC001164825758 720383123 /nfs/dbraw/zinc/38/31/23/720383123.db2.gz VCTWBSMDACTKDL-UHFFFAOYSA-N 1 2 489.649 3.105 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(-c5cccnc5)nc5c4CCC5)CC3)C2=O)cs1 ZINC001164825758 720383129 /nfs/dbraw/zinc/38/31/29/720383129.db2.gz VCTWBSMDACTKDL-UHFFFAOYSA-N 1 2 489.649 3.105 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C5CCC5)nc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164820458 720385598 /nfs/dbraw/zinc/38/55/98/720385598.db2.gz BWQBHAWPIHYOSI-UHFFFAOYSA-N 1 2 465.627 3.304 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C5CCC5)nc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164820458 720385603 /nfs/dbraw/zinc/38/56/03/720385603.db2.gz BWQBHAWPIHYOSI-UHFFFAOYSA-N 1 2 465.627 3.304 20 0 JGADLO COc1cccc2c(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)cc(Cl)nc12 ZINC001164827601 720429060 /nfs/dbraw/zinc/42/90/60/720429060.db2.gz UBRWUHWBGJCDEJ-KRWDZBQOSA-N 1 2 471.989 3.083 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc(Cl)nc1Cl)C2 ZINC001164827541 720431416 /nfs/dbraw/zinc/43/14/16/720431416.db2.gz SXDDZYVHASRGSM-AWEZNQCLSA-N 1 2 476.355 3.119 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc(Cl)cnc1Cl)C2 ZINC001164825849 720433344 /nfs/dbraw/zinc/43/33/44/720433344.db2.gz VAQKOXZQNUMMHX-CQSZACIVSA-N 1 2 476.355 3.119 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc3ncc(Cl)nc3c1)C2 ZINC001164823447 720439767 /nfs/dbraw/zinc/43/97/67/720439767.db2.gz JYTWAZNNYHHPDN-INIZCTEOSA-N 1 2 492.958 3.014 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3ccccc3)nc3ccccc31)C2 ZINC001164822452 720445160 /nfs/dbraw/zinc/44/51/60/720445160.db2.gz FHBXIIBXDUBJBM-QFIPXVFZSA-N 1 2 484.604 3.483 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3ccccc3c(-c3ccccc3)n1)C2 ZINC001164822691 720449617 /nfs/dbraw/zinc/44/96/17/720449617.db2.gz GHCAFSSIEHUEBS-JOCHJYFZSA-N 1 2 484.604 3.483 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3cccc(Cl)c31)C2 ZINC001164821961 720451770 /nfs/dbraw/zinc/45/17/70/720451770.db2.gz BHKOKDRUGBACIK-OAHLLOKOSA-N 1 2 477.396 3.123 20 0 JGADLO COc1ccc2c(cc(Cl)nc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164832271 720462178 /nfs/dbraw/zinc/46/21/78/720462178.db2.gz SKWLGFNYSFPESY-GOSISDBHSA-N 1 2 471.989 3.083 20 0 JGADLO Cc1csc2c1nc(Cl)cc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164829762 720464420 /nfs/dbraw/zinc/46/44/20/720464420.db2.gz GVMAQIPJDUNYBQ-MRXNPFEDSA-N 1 2 462.019 3.444 20 0 JGADLO Cc1cccc(Sc2cncc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)n2)c1 ZINC001164830732 720465022 /nfs/dbraw/zinc/46/50/22/720465022.db2.gz LONBWKDBLBOQOM-FQEVSTJZSA-N 1 2 480.638 3.122 20 0 JGADLO Cc1c(Cl)ccc2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc21 ZINC001164830658 720467162 /nfs/dbraw/zinc/46/71/62/720467162.db2.gz KPGRXOYOTXXBQU-LJQANCHMSA-N 1 2 455.990 3.383 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)C2 ZINC001164832708 720470307 /nfs/dbraw/zinc/47/03/07/720470307.db2.gz VXHWQOPDYXCLDP-LJQANCHMSA-N 1 2 470.662 3.258 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(F)ccc1-c1ccc(Cl)nn1)C2 ZINC001164832697 720475170 /nfs/dbraw/zinc/47/51/70/720475170.db2.gz VVEGMCAZIQPIJR-KRWDZBQOSA-N 1 2 486.979 3.122 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(Cl)ccc(F)c3n1)C2 ZINC001164830327 720479833 /nfs/dbraw/zinc/47/98/33/720479833.db2.gz AGHVQPMDNDGSDF-INIZCTEOSA-N 1 2 459.953 3.213 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3c(F)cccc13)C2 ZINC001164835099 720480406 /nfs/dbraw/zinc/48/04/06/720480406.db2.gz WURLBXSXWFSVDO-INIZCTEOSA-N 1 2 459.953 3.213 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3c(F)cccc13)C2 ZINC001164835100 720480671 /nfs/dbraw/zinc/48/06/71/720480671.db2.gz WURLBXSXWFSVDO-MRXNPFEDSA-N 1 2 459.953 3.213 20 0 JGADLO Cc1nc([C@H]2COCCN2c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC001164752602 720864069 /nfs/dbraw/zinc/86/40/69/720864069.db2.gz SWUCCSJVHRCCHM-HSZRJFAPSA-N 1 2 463.607 3.382 20 0 JGADLO CCS(=O)(=O)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cnc1Cl ZINC001164757751 720984793 /nfs/dbraw/zinc/98/47/93/720984793.db2.gz QHDYLRUWWYONEG-HNNXBMFYSA-N 1 2 474.961 3.333 20 0 JGADLO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)n1 ZINC001164768324 721050497 /nfs/dbraw/zinc/05/04/97/721050497.db2.gz IHFGGTVAZFIPBF-LOSJGSFVSA-N 1 2 454.578 3.118 20 0 JGADLO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)n1 ZINC001164768324 721050501 /nfs/dbraw/zinc/05/05/01/721050501.db2.gz IHFGGTVAZFIPBF-LOSJGSFVSA-N 1 2 454.578 3.118 20 0 JGADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c1 ZINC001164869036 721219495 /nfs/dbraw/zinc/21/94/95/721219495.db2.gz AKBARRNELIWAME-UHFFFAOYSA-N 1 2 452.889 3.337 20 0 JGADLO O=C(c1ccsc1)N1CCO[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@@H]2C1 ZINC001164874880 721295726 /nfs/dbraw/zinc/29/57/26/721295726.db2.gz DPTRHGNRJNEJSK-BWKNWUBXSA-N 1 2 489.645 3.464 20 0 JGADLO O=C(c1ccsc1)N1CCO[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@@H]2C1 ZINC001164874880 721295735 /nfs/dbraw/zinc/29/57/35/721295735.db2.gz DPTRHGNRJNEJSK-BWKNWUBXSA-N 1 2 489.645 3.464 20 0 JGADLO O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@H]2C1 ZINC001164874887 721295822 /nfs/dbraw/zinc/29/58/22/721295822.db2.gz DPTRHGNRJNEJSK-SQJMNOBHSA-N 1 2 489.645 3.464 20 0 JGADLO O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@H]2C1 ZINC001164874887 721295829 /nfs/dbraw/zinc/29/58/29/721295829.db2.gz DPTRHGNRJNEJSK-SQJMNOBHSA-N 1 2 489.645 3.464 20 0 JGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@H]5C[C@H](COc6ccccn6)C[C@@H]54)c3C2)cc1 ZINC001164880858 721311371 /nfs/dbraw/zinc/31/13/71/721311371.db2.gz SUSHDVCQEKGXQP-IEZKXTBUSA-N 1 2 457.578 3.493 20 0 JGADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@H]5C[C@H](COc6ccccn6)C[C@@H]54)c3C2)cc1 ZINC001164880858 721311374 /nfs/dbraw/zinc/31/13/74/721311374.db2.gz SUSHDVCQEKGXQP-IEZKXTBUSA-N 1 2 457.578 3.493 20 0 JGADLO Fc1cccnc1OC[C@@]12COC[C@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164793749 721485322 /nfs/dbraw/zinc/48/53/22/721485322.db2.gz VCWAOQPNFSLXPL-FQRUVTKNSA-N 1 2 461.541 3.101 20 0 JGADLO Fc1cccnc1OC[C@@]12COC[C@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164793749 721485324 /nfs/dbraw/zinc/48/53/24/721485324.db2.gz VCWAOQPNFSLXPL-FQRUVTKNSA-N 1 2 461.541 3.101 20 0 JGADLO Clc1cnc2cc(Cl)c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2n1 ZINC001164912370 721779629 /nfs/dbraw/zinc/77/96/29/721779629.db2.gz LDANDHSMLVVRSX-JOCHJYFZSA-N 1 2 460.365 3.439 20 0 JGADLO Clc1cnc2cc(Cl)c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2n1 ZINC001164912370 721779638 /nfs/dbraw/zinc/77/96/38/721779638.db2.gz LDANDHSMLVVRSX-JOCHJYFZSA-N 1 2 460.365 3.439 20 0 JGADLO Clc1cnc2cc(Cl)c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2n1 ZINC001164912372 721780300 /nfs/dbraw/zinc/78/03/00/721780300.db2.gz LDANDHSMLVVRSX-QFIPXVFZSA-N 1 2 460.365 3.439 20 0 JGADLO Clc1cnc2cc(Cl)c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2n1 ZINC001164912372 721780305 /nfs/dbraw/zinc/78/03/05/721780305.db2.gz LDANDHSMLVVRSX-QFIPXVFZSA-N 1 2 460.365 3.439 20 0 JGADLO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917043 721783610 /nfs/dbraw/zinc/78/36/10/721783610.db2.gz WCWTUEDHGCGYQP-OAQYLSRUSA-N 1 2 463.916 3.264 20 0 JGADLO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917043 721783616 /nfs/dbraw/zinc/78/36/16/721783616.db2.gz WCWTUEDHGCGYQP-OAQYLSRUSA-N 1 2 463.916 3.264 20 0 JGADLO Clc1ccccc1-c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164917747 721788722 /nfs/dbraw/zinc/78/87/22/721788722.db2.gz YZFRIHGNKHGXNA-DEOSSOPVSA-N 1 2 451.958 3.300 20 0 JGADLO Clc1ccccc1-c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164917747 721788727 /nfs/dbraw/zinc/78/87/27/721788727.db2.gz YZFRIHGNKHGXNA-DEOSSOPVSA-N 1 2 451.958 3.300 20 0 JGADLO Cc1cccc(Sc2cncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164916416 721791140 /nfs/dbraw/zinc/79/11/40/721791140.db2.gz QSADGZIHPFNOST-VWLOTQADSA-N 1 2 463.607 3.439 20 0 JGADLO Cc1cccc(Sc2cncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164916416 721791141 /nfs/dbraw/zinc/79/11/41/721791141.db2.gz QSADGZIHPFNOST-VWLOTQADSA-N 1 2 463.607 3.439 20 0 JGADLO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915670 721796801 /nfs/dbraw/zinc/79/68/01/721796801.db2.gz XKQAKAPKNSPVFI-DEOSSOPVSA-N 1 2 469.948 3.439 20 0 JGADLO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915670 721796804 /nfs/dbraw/zinc/79/68/04/721796804.db2.gz XKQAKAPKNSPVFI-DEOSSOPVSA-N 1 2 469.948 3.439 20 0 JGADLO c1ccc(CSc2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164914262 721797981 /nfs/dbraw/zinc/79/79/81/721797981.db2.gz LAUSGUYLDPKRSE-VWLOTQADSA-N 1 2 463.607 3.272 20 0 JGADLO c1ccc(CSc2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164914262 721797984 /nfs/dbraw/zinc/79/79/84/721797984.db2.gz LAUSGUYLDPKRSE-VWLOTQADSA-N 1 2 463.607 3.272 20 0 JGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)COC(=O)Nc2cccnc2Cl)CC1 ZINC001164919129 721821013 /nfs/dbraw/zinc/82/10/13/721821013.db2.gz NCEZRVNFSRFHPF-UHFFFAOYSA-N 1 2 454.909 3.318 20 0 JGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)COC(=O)Nc2cccnc2Cl)CC1 ZINC001164919129 721821014 /nfs/dbraw/zinc/82/10/14/721821014.db2.gz NCEZRVNFSRFHPF-UHFFFAOYSA-N 1 2 454.909 3.318 20 0 JGADLO CN1CC[NH+](Cc2cc3nc(N4CCCC[C@@H]4c4cccnc4)nc(N4CCOCC4)c3s2)CC1 ZINC001165046000 721963473 /nfs/dbraw/zinc/96/34/73/721963473.db2.gz GJTZIMIMRVUVSJ-HSZRJFAPSA-N 1 2 493.681 3.402 20 0 JGADLO COC(=O)C[C@H](c1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1)C1CC1 ZINC001164946091 721977334 /nfs/dbraw/zinc/97/73/34/721977334.db2.gz JWHFYMFNGQPVAE-QHCPKHFHSA-N 1 2 462.594 3.109 20 0 JGADLO COC(=O)C[C@H](c1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1)C1CC1 ZINC001164946091 721977335 /nfs/dbraw/zinc/97/73/35/721977335.db2.gz JWHFYMFNGQPVAE-QHCPKHFHSA-N 1 2 462.594 3.109 20 0 JGADLO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1)C1CC1 ZINC001164946089 721977654 /nfs/dbraw/zinc/97/76/54/721977654.db2.gz JWHFYMFNGQPVAE-HSZRJFAPSA-N 1 2 462.594 3.109 20 0 JGADLO COC(=O)C[C@@H](c1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1)C1CC1 ZINC001164946089 721977656 /nfs/dbraw/zinc/97/76/56/721977656.db2.gz JWHFYMFNGQPVAE-HSZRJFAPSA-N 1 2 462.594 3.109 20 0 JGADLO O=C(NC1CCCC1)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164950663 721978794 /nfs/dbraw/zinc/97/87/94/721978794.db2.gz WOBWPLBDNYGHCD-UHFFFAOYSA-N 1 2 482.028 3.378 20 0 JGADLO O=C(NC1CCCC1)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164950663 721978795 /nfs/dbraw/zinc/97/87/95/721978795.db2.gz WOBWPLBDNYGHCD-UHFFFAOYSA-N 1 2 482.028 3.378 20 0 JGADLO O=C(NC1CCC1)C1C[C@@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001164976642 722085311 /nfs/dbraw/zinc/08/53/11/722085311.db2.gz VZOKPALUHANRGK-DNQXCXABSA-N 1 2 487.648 3.171 20 0 JGADLO CN1c2ccccc2[C@]2(CCN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)C1=O ZINC001164981557 722162226 /nfs/dbraw/zinc/16/22/26/722162226.db2.gz RHQOSZBVNUBRHB-GDLZYMKVSA-N 1 2 481.600 3.164 20 0 JGADLO O=C(Nc1cccnc1)c1noc2c1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001165001380 722247622 /nfs/dbraw/zinc/24/76/22/722247622.db2.gz PLAAYDUPMZTPFU-UHFFFAOYSA-N 1 2 467.533 3.233 20 0 JGADLO O=C(Nc1cccnc1)c1noc2c1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001165001380 722247627 /nfs/dbraw/zinc/24/76/27/722247627.db2.gz PLAAYDUPMZTPFU-UHFFFAOYSA-N 1 2 467.533 3.233 20 0 JGADLO CC[C@H](Cn1c(-c2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC001305824613 1069361960 /nfs/dbraw/zinc/36/19/60/1069361960.db2.gz SSOJSHACQATULI-GOSISDBHSA-N 1 2 476.597 3.156 20 0 JGADLO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)NC(=O)OC(C)(C)C ZINC001305838776 1069383753 /nfs/dbraw/zinc/38/37/53/1069383753.db2.gz WULULTOQOUXMET-RTBURBONSA-N 1 2 485.633 3.109 20 0 JGADLO CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001305849794 1069401591 /nfs/dbraw/zinc/40/15/91/1069401591.db2.gz UVLQMAFZYWDEFO-DHIUTWEWSA-N 1 2 498.672 3.032 20 0 JGADLO COC(=O)c1cc(Br)c2c(c1)CN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC001305853507 1069408312 /nfs/dbraw/zinc/40/83/12/1069408312.db2.gz LAZZFDFGMMHSMR-UHFFFAOYSA-N 1 2 456.296 3.456 20 0 JGADLO CN(CC(C)(C)C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298232189 1064140362 /nfs/dbraw/zinc/14/03/62/1064140362.db2.gz ZADSVHJMSORIGM-UHFFFAOYSA-N 1 2 453.591 3.187 20 0 JGADLO CN(CC(F)(F)F)c1nnc(Cc2ccccn2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001298251012 1064150125 /nfs/dbraw/zinc/15/01/25/1064150125.db2.gz BIBTYEHMKPKAJK-HXUWFJFHSA-N 1 2 460.504 3.336 20 0 JGADLO CN(Cc1cc(Cl)ccn1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001298262931 1064158162 /nfs/dbraw/zinc/15/81/62/1064158162.db2.gz XJKUEMLCSZGEEC-OALUTQOASA-N 1 2 489.958 3.495 20 0 JGADLO CN(Cc1cnccn1)c1nnc(-c2cccn2C)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001298410360 1064239802 /nfs/dbraw/zinc/23/98/02/1064239802.db2.gz KYFNSIDFLVRWAZ-HXUWFJFHSA-N 1 2 452.513 3.291 20 0 JGADLO CN(CCC(F)F)c1nnc(CN2CCCC2=O)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001298608357 1064379694 /nfs/dbraw/zinc/37/96/94/1064379694.db2.gz SFISIJUILYLHSB-INIZCTEOSA-N 1 2 456.488 3.073 20 0 JGADLO CN(CCCS(C)(=O)=O)c1nnc(-c2ccccn2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001298692562 1064492963 /nfs/dbraw/zinc/49/29/63/1064492963.db2.gz UQGOYRLPFOMPOK-FQEVSTJZSA-N 1 2 472.615 3.031 20 0 JGADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)cc1 ZINC001298695538 1064493696 /nfs/dbraw/zinc/49/36/96/1064493696.db2.gz GEOMJPUDCKUMQH-FYYLOGMGSA-N 1 2 450.501 3.265 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(C)CCCO1 ZINC001298732758 1064547685 /nfs/dbraw/zinc/54/76/85/1064547685.db2.gz DOTULAZIAIVXSV-OAQYLSRUSA-N 1 2 464.408 3.045 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc3c(s2)CCCCC3)n1CCC(=O)NC(C)(C)C ZINC001298733244 1064548105 /nfs/dbraw/zinc/54/81/05/1064548105.db2.gz LWOSKJPKNOJVKX-UHFFFAOYSA-N 1 2 488.702 3.349 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(Br)cc1 ZINC001298738349 1064552965 /nfs/dbraw/zinc/55/29/65/1064552965.db2.gz HHSJLEZUNCHKDH-FQEVSTJZSA-N 1 2 478.435 3.293 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(F)cc1C(F)(F)F ZINC001298738838 1064553624 /nfs/dbraw/zinc/55/36/24/1064553624.db2.gz OOYQHCMRLMKXEN-IBGZPJMESA-N 1 2 471.499 3.494 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(C)(C)C ZINC001298738783 1064553684 /nfs/dbraw/zinc/55/36/84/1064553684.db2.gz NBFZAOBOQAPYSX-UHFFFAOYSA-N 1 2 470.666 3.047 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCOC2)n1CCc1cc(Br)ccc1F ZINC001298738933 1064554335 /nfs/dbraw/zinc/55/43/35/1064554335.db2.gz RYEZXXASUZILSW-GOSISDBHSA-N 1 2 496.425 3.085 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1Cc1cc(Br)cs1 ZINC001298738928 1064554405 /nfs/dbraw/zinc/55/44/05/1064554405.db2.gz RWGUWSCSGFBSAJ-KRWDZBQOSA-N 1 2 470.437 3.160 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCCSC1 ZINC001298738970 1064554458 /nfs/dbraw/zinc/55/44/58/1064554458.db2.gz UINBGICNBWCAGW-LJQANCHMSA-N 1 2 450.052 3.434 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCSC1(C)C ZINC001298740347 1064554817 /nfs/dbraw/zinc/55/48/17/1064554817.db2.gz FKURONMEQRYLKI-FQEVSTJZSA-N 1 2 459.660 3.200 20 0 JGADLO CN(CCS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001298775727 1064581687 /nfs/dbraw/zinc/58/16/87/1064581687.db2.gz SHTRZIJDBCUCSL-GOSISDBHSA-N 1 2 468.048 3.444 20 0 JGADLO C[C@H]1[C@@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001298887090 1064696549 /nfs/dbraw/zinc/69/65/49/1064696549.db2.gz KWEREXGAELRQPD-KSSFIOAISA-N 1 2 451.386 3.245 20 0 JGADLO C[C@H]1[C@@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001298887090 1064696555 /nfs/dbraw/zinc/69/65/55/1064696555.db2.gz KWEREXGAELRQPD-KSSFIOAISA-N 1 2 451.386 3.245 20 0 JGADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC001298910668 1064712028 /nfs/dbraw/zinc/71/20/28/1064712028.db2.gz XPMUYISDONLAKN-UHFFFAOYSA-N 1 2 453.499 3.129 20 0 JGADLO CNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001298942736 1064735018 /nfs/dbraw/zinc/73/50/18/1064735018.db2.gz UYCJRKHQESFDOG-UHFFFAOYSA-N 1 2 482.032 3.012 20 0 JGADLO CNC(=O)C(C)(C)Cn1c(CC2CCCC2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001298943619 1064736813 /nfs/dbraw/zinc/73/68/13/1064736813.db2.gz ZZNZUTVHEQDHPH-UHFFFAOYSA-N 1 2 486.636 3.253 20 0 JGADLO CNC(=O)C(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001298950287 1064740968 /nfs/dbraw/zinc/74/09/68/1064740968.db2.gz PIEUPLVHZMIRJW-UHFFFAOYSA-N 1 2 484.004 3.004 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001298952905 1064743727 /nfs/dbraw/zinc/74/37/27/1064743727.db2.gz HDIPPCGRFFKNCC-AZUAARDMSA-N 1 2 479.629 3.363 20 0 JGADLO Cc1[nH]c(C=O)cc1C(=O)Nc1ccccc1OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001299048562 1064840032 /nfs/dbraw/zinc/84/00/32/1064840032.db2.gz IWATWRVFKLYLHE-UHFFFAOYSA-N 1 2 456.543 3.319 20 0 JGADLO CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001299087265 1064893026 /nfs/dbraw/zinc/89/30/26/1064893026.db2.gz RDRCJAYTCHYGDO-IBGZPJMESA-N 1 2 468.005 3.382 20 0 JGADLO CO[C@@]1(C)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001299749575 1064948800 /nfs/dbraw/zinc/94/88/00/1064948800.db2.gz KYJCFVPXGAVXMP-RDPSFJRHSA-N 1 2 487.626 3.250 20 0 JGADLO CO[C@]1(C)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCCNc2cccc[nH+]2)C1 ZINC001299771528 1064969564 /nfs/dbraw/zinc/96/95/64/1064969564.db2.gz ITDRWJJENLVAAO-HSZRJFAPSA-N 1 2 469.615 3.172 20 0 JGADLO COC1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001299785293 1064982400 /nfs/dbraw/zinc/98/24/00/1064982400.db2.gz FFEZEUNVOKQUKX-UHFFFAOYSA-N 1 2 484.689 3.406 20 0 JGADLO COC1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001299785293 1064982412 /nfs/dbraw/zinc/98/24/12/1064982412.db2.gz FFEZEUNVOKQUKX-UHFFFAOYSA-N 1 2 484.689 3.406 20 0 JGADLO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001299812596 1065007985 /nfs/dbraw/zinc/00/79/85/1065007985.db2.gz FDUYHKBLVUMQLJ-MRXNPFEDSA-N 1 2 458.971 3.497 20 0 JGADLO COc1cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCC[C@H]2C)cc(OC)c1OC ZINC001299840804 1065035756 /nfs/dbraw/zinc/03/57/56/1065035756.db2.gz BJDYGKHKRHCXAC-RTBURBONSA-N 1 2 473.618 3.176 20 0 JGADLO COc1cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCC(F)(F)C2)cc(OC)c1OC ZINC001299841304 1065037115 /nfs/dbraw/zinc/03/71/15/1065037115.db2.gz QGGITFWLFGWNKK-KRWDZBQOSA-N 1 2 495.571 3.175 20 0 JGADLO COc1cc(-c2nnc(N3CCN(C(C)=O)CC3)n2CCCNc2cccc[nH+]2)ccc1OC(C)C ZINC001299859182 1065072037 /nfs/dbraw/zinc/07/20/37/1065072037.db2.gz YPHUSKHNGAMUOE-UHFFFAOYSA-N 1 2 493.612 3.307 20 0 JGADLO COc1cc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](C)[NH+]2CCOCC2)ccc1SC ZINC001299873503 1065093618 /nfs/dbraw/zinc/09/36/18/1065093618.db2.gz PEAZYACBOQNJCW-ICSRJNTNSA-N 1 2 475.659 3.260 20 0 JGADLO COc1cc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[NH+]2CCOCC2)ccc1SC ZINC001299876011 1065095074 /nfs/dbraw/zinc/09/50/74/1065095074.db2.gz AUKJJOIYYWBWIT-FQEVSTJZSA-N 1 2 499.685 3.227 20 0 JGADLO COc1cc(CN(C)c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)[nH+]c2)cc(OC)c1 ZINC001299881137 1065102890 /nfs/dbraw/zinc/10/28/90/1065102890.db2.gz NRRPEKCZNONTDC-OAQYLSRUSA-N 1 2 452.559 3.293 20 0 JGADLO COc1cc(Cn2c(CC(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)ccc1C ZINC001299885949 1065109564 /nfs/dbraw/zinc/10/95/64/1065109564.db2.gz LSDLOPLKHJOREY-XMMPIXPASA-N 1 2 484.689 3.073 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N(C)Cc2cnn(C)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001299894389 1065124544 /nfs/dbraw/zinc/12/45/44/1065124544.db2.gz KRQYQRNTTPXZQK-UHFFFAOYSA-N 1 2 466.977 3.486 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H](OC)C(C)C ZINC001299897122 1065130493 /nfs/dbraw/zinc/13/04/93/1065130493.db2.gz BQAARYPVLQQQIW-FQEVSTJZSA-N 1 2 451.999 3.047 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCSCCCO ZINC001299909085 1065154995 /nfs/dbraw/zinc/15/49/95/1065154995.db2.gz MVOJPNNSCQTCGE-UHFFFAOYSA-N 1 2 489.045 3.444 20 0 JGADLO COc1ccc(C)cc1C[NH+]1CCN(c2nnc(CC3CC3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001299990252 1065293922 /nfs/dbraw/zinc/29/39/22/1065293922.db2.gz FTDDBQSBOZRFBH-XIFFEERXSA-N 1 2 473.687 3.417 20 0 JGADLO Cc1ccc(F)c(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001492216731 1065326938 /nfs/dbraw/zinc/32/69/38/1065326938.db2.gz HCNLZCHNZWCGSC-SFHVURJKSA-N 1 2 486.617 3.074 20 0 JGADLO Cc1ccc(F)c(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001492216731 1065326943 /nfs/dbraw/zinc/32/69/43/1065326943.db2.gz HCNLZCHNZWCGSC-SFHVURJKSA-N 1 2 486.617 3.074 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCCNc2cccc[nH+]2)cc1C ZINC001492235168 1065335429 /nfs/dbraw/zinc/33/54/29/1065335429.db2.gz KQGAPDADVGWWPN-UHFFFAOYSA-N 1 2 492.628 3.395 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2C[C@](C)(O)C(C)C)cc1C ZINC001492265919 1065359626 /nfs/dbraw/zinc/35/96/26/1065359626.db2.gz HNAOTCPAJGIJFK-SANMLTNESA-N 1 2 477.613 3.276 20 0 JGADLO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C)cc2)n1CC[N@H+]1CCOC[C@H]1C ZINC001492323734 1065396666 /nfs/dbraw/zinc/39/66/66/1065396666.db2.gz WXFKXOCOXGWIAO-GOSISDBHSA-N 1 2 454.575 3.127 20 0 JGADLO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C)cc2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001492323734 1065396681 /nfs/dbraw/zinc/39/66/81/1065396681.db2.gz WXFKXOCOXGWIAO-GOSISDBHSA-N 1 2 454.575 3.127 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@H+]2CCOC[C@@H]2C)cc1C ZINC001492332358 1065402571 /nfs/dbraw/zinc/40/25/71/1065402571.db2.gz YFDHERZFTSQWIZ-GMAHTHKFSA-N 1 2 457.619 3.200 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1C ZINC001492332358 1065402580 /nfs/dbraw/zinc/40/25/80/1065402580.db2.gz YFDHERZFTSQWIZ-GMAHTHKFSA-N 1 2 457.619 3.200 20 0 JGADLO Cc1ccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC001492297722 1065412146 /nfs/dbraw/zinc/41/21/46/1065412146.db2.gz YAXLNUQSCHZARI-ZCYQVOJMSA-N 1 2 484.689 3.409 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCNC(=O)C(C)(C)C)cc1 ZINC001492364000 1065426543 /nfs/dbraw/zinc/42/65/43/1065426543.db2.gz QINAMTSTWIVSQT-UHFFFAOYSA-N 1 2 491.640 3.352 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001492371362 1065435253 /nfs/dbraw/zinc/43/52/53/1065435253.db2.gz PQQCNTZCLGIKIK-FGZHOGPDSA-N 1 2 498.672 3.017 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001492371362 1065435259 /nfs/dbraw/zinc/43/52/59/1065435259.db2.gz PQQCNTZCLGIKIK-FGZHOGPDSA-N 1 2 498.672 3.017 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)Cc3cnccn3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001492447101 1065500840 /nfs/dbraw/zinc/50/08/40/1065500840.db2.gz VSEONUJVDAITFM-LJQANCHMSA-N 1 2 453.616 3.026 20 0 JGADLO Cc1ccc(SCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001492466073 1065513830 /nfs/dbraw/zinc/51/38/30/1065513830.db2.gz VXLFQACCIAWQFW-FQEVSTJZSA-N 1 2 477.700 3.234 20 0 JGADLO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCOC[C@H]2C)CC[C@H]1C ZINC001300839383 1065575763 /nfs/dbraw/zinc/57/57/63/1065575763.db2.gz RLVKNBHHVPAMFI-MQSCRBSSSA-N 1 2 457.619 3.056 20 0 JGADLO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCOC[C@H]2C)CC[C@H]1C ZINC001300839383 1065575768 /nfs/dbraw/zinc/57/57/68/1065575768.db2.gz RLVKNBHHVPAMFI-MQSCRBSSSA-N 1 2 457.619 3.056 20 0 JGADLO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCOC[C@@H]2C)CC[C@@H]1C ZINC001300839384 1065575850 /nfs/dbraw/zinc/57/58/50/1065575850.db2.gz RLVKNBHHVPAMFI-QNWVGRARSA-N 1 2 457.619 3.056 20 0 JGADLO CO[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCOC[C@@H]2C)CC[C@@H]1C ZINC001300839384 1065575858 /nfs/dbraw/zinc/57/58/58/1065575858.db2.gz RLVKNBHHVPAMFI-QNWVGRARSA-N 1 2 457.619 3.056 20 0 JGADLO CO[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1(C)C ZINC001300845567 1065587277 /nfs/dbraw/zinc/58/72/77/1065587277.db2.gz UVRMGKGWSJMWDB-UNMCSNQZSA-N 1 2 457.619 3.056 20 0 JGADLO CO[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)CC1(C)C ZINC001300845567 1065587290 /nfs/dbraw/zinc/58/72/90/1065587290.db2.gz UVRMGKGWSJMWDB-UNMCSNQZSA-N 1 2 457.619 3.056 20 0 JGADLO CO[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1(C)C ZINC001300846085 1065589343 /nfs/dbraw/zinc/58/93/43/1065589343.db2.gz BQOKOFJPRUHOPY-FPOVZHCZSA-N 1 2 459.660 3.461 20 0 JGADLO CO[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1(C)C ZINC001300846085 1065589351 /nfs/dbraw/zinc/58/93/51/1065589351.db2.gz BQOKOFJPRUHOPY-FPOVZHCZSA-N 1 2 459.660 3.461 20 0 JGADLO COC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)OC ZINC001301003748 1065833530 /nfs/dbraw/zinc/83/35/30/1065833530.db2.gz OBARGEDGHDVFNY-HXUWFJFHSA-N 1 2 459.978 3.484 20 0 JGADLO COC[C@@H](F)Cn1c(-c2ccccn2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001301052650 1065901782 /nfs/dbraw/zinc/90/17/82/1065901782.db2.gz GJUDTWYVQRHGJW-WMZOPIPTSA-N 1 2 460.504 3.486 20 0 JGADLO COCC1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001301097662 1065944279 /nfs/dbraw/zinc/94/42/79/1065944279.db2.gz URFMHQPFRYWMNR-GOSISDBHSA-N 1 2 463.573 3.121 20 0 JGADLO COCC1(C)CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001301097662 1065944288 /nfs/dbraw/zinc/94/42/88/1065944288.db2.gz URFMHQPFRYWMNR-GOSISDBHSA-N 1 2 463.573 3.121 20 0 JGADLO COCC1(Cn2c(CC(C)C)nnc2N2CC[NH+](Cc3cnc(C)s3)CC2)CCOCC1 ZINC001301144634 1065982403 /nfs/dbraw/zinc/98/24/03/1065982403.db2.gz ZUNSWEGEMSALNQ-UHFFFAOYSA-N 1 2 462.664 3.007 20 0 JGADLO COCc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001301179227 1066010418 /nfs/dbraw/zinc/01/04/18/1066010418.db2.gz TUEJIAQYYNAIIY-VWLOTQADSA-N 1 2 498.716 3.293 20 0 JGADLO COC[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001301297420 1066102881 /nfs/dbraw/zinc/10/28/81/1066102881.db2.gz NXSZYCVTNPTKKH-MOPGFXCFSA-N 1 2 461.582 3.141 20 0 JGADLO COC[C@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001301297420 1066102885 /nfs/dbraw/zinc/10/28/85/1066102885.db2.gz NXSZYCVTNPTKKH-MOPGFXCFSA-N 1 2 461.582 3.141 20 0 JGADLO COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CCCc2cccc(C)[nH+]2)C[C@@H](C)O1 ZINC001301396920 1066177883 /nfs/dbraw/zinc/17/78/83/1066177883.db2.gz OPTNQPUFBKTWNU-OFNKIYASSA-N 1 2 465.598 3.454 20 0 JGADLO COC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2CCCc2cccc(C)[nH+]2)C[C@H](C)O1 ZINC001301396919 1066177895 /nfs/dbraw/zinc/17/78/95/1066177895.db2.gz OPTNQPUFBKTWNU-NZQKXSOJSA-N 1 2 465.598 3.454 20 0 JGADLO COCCC(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001301420853 1066213600 /nfs/dbraw/zinc/21/36/00/1066213600.db2.gz BPTGUFTZAWCOMH-UHFFFAOYSA-N 1 2 489.064 3.406 20 0 JGADLO COCCO[C@H](C)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1CC[N@@H+]1CCOCC1(C)C ZINC001301971786 1066277962 /nfs/dbraw/zinc/27/79/62/1066277962.db2.gz WBVYLZAGOLZLMM-DENIHFKCSA-N 1 2 457.619 3.237 20 0 JGADLO COCCO[C@H](C)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1CC[N@H+]1CCOCC1(C)C ZINC001301971786 1066277968 /nfs/dbraw/zinc/27/79/68/1066277968.db2.gz WBVYLZAGOLZLMM-DENIHFKCSA-N 1 2 457.619 3.237 20 0 JGADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CCC(C)(F)F)CC1 ZINC001301980618 1066288016 /nfs/dbraw/zinc/28/80/16/1066288016.db2.gz DUCQYWXROWRERB-FQEVSTJZSA-N 1 2 490.599 3.078 20 0 JGADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(C)(F)F)CC1 ZINC001301984304 1066294049 /nfs/dbraw/zinc/29/40/49/1066294049.db2.gz SZPDHEXVNYCUDB-HNNXBMFYSA-N 1 2 466.964 3.433 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001301990490 1066308865 /nfs/dbraw/zinc/30/88/65/1066308865.db2.gz PPXURUFOBIAIPU-SBHAEUEKSA-N 1 2 493.674 3.141 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001301990490 1066308876 /nfs/dbraw/zinc/30/88/76/1066308876.db2.gz PPXURUFOBIAIPU-SBHAEUEKSA-N 1 2 493.674 3.141 20 0 JGADLO COCCC1(Cn2c(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)CCC1 ZINC001301493602 1066318075 /nfs/dbraw/zinc/31/80/75/1066318075.db2.gz OCXPNXJYBDMIRW-JOCHJYFZSA-N 1 2 476.710 3.014 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001301994108 1066319302 /nfs/dbraw/zinc/31/93/02/1066319302.db2.gz MMCXPIZHIJBVJC-IBGZPJMESA-N 1 2 475.634 3.295 20 0 JGADLO COCCO[C@H](C)c1nnc(N2Cc3ccoc3CC(C)(C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001301994111 1066319890 /nfs/dbraw/zinc/31/98/90/1066319890.db2.gz MMCXPIZHIJBVJC-LJQANCHMSA-N 1 2 475.634 3.295 20 0 JGADLO COc1cccc([C@@H]2CN(C(=O)[C@@H]3C[C@H](C(F)(F)F)CN3C(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC001302001962 1066336915 /nfs/dbraw/zinc/33/69/15/1066336915.db2.gz AYZKKILHQMJIKZ-SZMVWBNQSA-N 1 2 457.493 3.356 20 0 JGADLO COc1cccc([C@@H]2CN(C(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)CC[NH2+]2)c1 ZINC001302003412 1066338429 /nfs/dbraw/zinc/33/84/29/1066338429.db2.gz QQKXTGASCOBZCC-QHCPKHFHSA-N 1 2 451.548 3.283 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC(C(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302011859 1066355808 /nfs/dbraw/zinc/35/58/08/1066355808.db2.gz XCCBUIWLRSDQDG-GBXCKJPGSA-N 1 2 481.707 3.082 20 0 JGADLO COCCCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001301536985 1066365289 /nfs/dbraw/zinc/36/52/89/1066365289.db2.gz KPNIMNVGTQKWCV-JOCHJYFZSA-N 1 2 455.651 3.070 20 0 JGADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001301545696 1066375472 /nfs/dbraw/zinc/37/54/72/1066375472.db2.gz IDDKVFUMUPGKLP-MRXNPFEDSA-N 1 2 457.556 3.278 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC(CO)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302031126 1066396808 /nfs/dbraw/zinc/39/68/08/1066396808.db2.gz VKHHCRASDFNYIM-HXUWFJFHSA-N 1 2 472.634 3.035 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302042258 1066418438 /nfs/dbraw/zinc/41/84/38/1066418438.db2.gz JOAUBUFTSLJNDF-KZNAEPCWSA-N 1 2 479.572 3.125 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1CC[N@H+]1CCOC[C@H]1C ZINC001302042258 1066418443 /nfs/dbraw/zinc/41/84/43/1066418443.db2.gz JOAUBUFTSLJNDF-KZNAEPCWSA-N 1 2 479.572 3.125 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302044023 1066424527 /nfs/dbraw/zinc/42/45/27/1066424527.db2.gz RNARSEAXVYRSAI-OKZBNKHCSA-N 1 2 479.572 3.125 20 0 JGADLO O=C(c1cc2cc(Br)cc(Br)c2o1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001302060591 1066458732 /nfs/dbraw/zinc/45/87/32/1066458732.db2.gz QWXTWUOUYJUCNK-ZDUSSCGKSA-N 1 2 454.122 3.468 20 0 JGADLO COCCCn1c(-c2cc(Br)cn2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001301628966 1066488786 /nfs/dbraw/zinc/48/87/86/1066488786.db2.gz XMMLJEALPPNETO-UHFFFAOYSA-N 1 2 474.407 3.106 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1ccc(Cl)cc1F ZINC001302084076 1066505915 /nfs/dbraw/zinc/50/59/15/1066505915.db2.gz JEZBUPFNPGLFIG-MRXNPFEDSA-N 1 2 489.983 3.268 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302083709 1066506061 /nfs/dbraw/zinc/50/60/61/1066506061.db2.gz IVFSISJUOGLJTH-PMACEKPBSA-N 1 2 497.619 3.366 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001302085600 1066509765 /nfs/dbraw/zinc/50/97/65/1066509765.db2.gz SZOFAGBVJHHOGJ-MJGOQNOKSA-N 1 2 477.679 3.205 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1CC(F)(F)F ZINC001302089170 1066515766 /nfs/dbraw/zinc/51/57/66/1066515766.db2.gz LDIYEWOEUOSJOW-HNNXBMFYSA-N 1 2 475.487 3.034 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001302090454 1066517557 /nfs/dbraw/zinc/51/75/57/1066517557.db2.gz VJZMXJUMDFJHKA-QZTJIDSGSA-N 1 2 468.549 3.056 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCOCC3(CC3)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001302104819 1066539281 /nfs/dbraw/zinc/53/92/81/1066539281.db2.gz LJVJZRNTDAWSTG-PXNSSMCTSA-N 1 2 479.572 3.200 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCOCC3(CC3)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001302104818 1066539425 /nfs/dbraw/zinc/53/94/25/1066539425.db2.gz LJVJZRNTDAWSTG-FXAWDEMLSA-N 1 2 479.572 3.200 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302109617 1066547996 /nfs/dbraw/zinc/54/79/96/1066547996.db2.gz AQWIXCPTIZWLCN-ZZLPTCMGSA-N 1 2 489.686 3.406 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCSCC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001302112841 1066553839 /nfs/dbraw/zinc/55/38/39/1066553839.db2.gz RUYBWVSTUCYRRA-IBGZPJMESA-N 1 2 460.648 3.235 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[C@H](OC)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302118631 1066558853 /nfs/dbraw/zinc/55/88/53/1066558853.db2.gz UUVOJAOCWZWDGX-FPOVZHCZSA-N 1 2 458.607 3.051 20 0 JGADLO CC(C)(C)Cc1nnc(N(CCS(C)(=O)=O)C2CC2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001302128204 1066570941 /nfs/dbraw/zinc/57/09/41/1066570941.db2.gz ZWDDUEQWSSFLTQ-IBGZPJMESA-N 1 2 463.648 3.310 20 0 JGADLO CC(C)(C)Cc1nnc(N2CCC(CC(N)=O)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302134202 1066579648 /nfs/dbraw/zinc/57/96/48/1066579648.db2.gz IQJKZKSPZJJJGO-JOCHJYFZSA-N 1 2 468.646 3.032 20 0 JGADLO COCCN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001301702726 1066591397 /nfs/dbraw/zinc/59/13/97/1066591397.db2.gz DCAFWQFBEDSOCM-QFIPXVFZSA-N 1 2 455.628 3.395 20 0 JGADLO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC001301714101 1066614960 /nfs/dbraw/zinc/61/49/60/1066614960.db2.gz UWFGVIRDHLLEEG-UNMCSNQZSA-N 1 2 498.672 3.203 20 0 JGADLO CC(C)(C)Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001302176085 1066650523 /nfs/dbraw/zinc/65/05/23/1066650523.db2.gz KJELAWFQTJHTPQ-IBGZPJMESA-N 1 2 479.716 3.118 20 0 JGADLO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@@H+]2CCOC[C@H]2C)[C@H](C)C1 ZINC001301757680 1066691664 /nfs/dbraw/zinc/69/16/64/1066691664.db2.gz BSHQILSALLVNNV-FGZHOGPDSA-N 1 2 498.672 3.067 20 0 JGADLO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@H+]2CCOC[C@H]2C)[C@H](C)C1 ZINC001301757680 1066691674 /nfs/dbraw/zinc/69/16/74/1066691674.db2.gz BSHQILSALLVNNV-FGZHOGPDSA-N 1 2 498.672 3.067 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC(F)(F)F)CC1 ZINC001301763628 1066703768 /nfs/dbraw/zinc/70/37/68/1066703768.db2.gz GQUJFSPZSOQTPJ-HNNXBMFYSA-N 1 2 488.942 3.234 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCCC(C)(C)C2)CC1 ZINC001301763747 1066704175 /nfs/dbraw/zinc/70/41/75/1066704175.db2.gz IXKBBQFWGNKTKA-LJQANCHMSA-N 1 2 472.609 3.348 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)CC2CC2)CC1 ZINC001301764050 1066704693 /nfs/dbraw/zinc/70/46/93/1066704693.db2.gz LYFFBWUSYHQFHQ-FQEVSTJZSA-N 1 2 454.619 3.045 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2ccsc2)CC1 ZINC001301764788 1066705918 /nfs/dbraw/zinc/70/59/18/1066705918.db2.gz SVBOLYMHXXYDTA-SFHVURJKSA-N 1 2 486.617 3.419 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001301765790 1066706622 /nfs/dbraw/zinc/70/66/22/1066706622.db2.gz YYNLKMYHNNIUCF-CVDCTZTESA-N 1 2 472.609 3.346 20 0 JGADLO CC(C)(C)NC(=O)CCn1c(CCCc2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001302209839 1066708568 /nfs/dbraw/zinc/70/85/68/1066708568.db2.gz CSYQWKJFBWOCAJ-UHFFFAOYSA-N 1 2 475.641 3.480 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCC[C@H]2Cc2ccccc2)CC1 ZINC001301769611 1066712918 /nfs/dbraw/zinc/71/29/18/1066712918.db2.gz CQHPIEODRRLCEJ-QHCPKHFHSA-N 1 2 452.647 3.242 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001301769422 1066713094 /nfs/dbraw/zinc/71/30/94/1066713094.db2.gz BSJGKUVXOUSMDO-QFIPXVFZSA-N 1 2 456.610 3.045 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCC(OCCc3ccccc3)CC2)CC1 ZINC001301769924 1066713456 /nfs/dbraw/zinc/71/34/56/1066713456.db2.gz GMVKEPFXNHHQMO-UHFFFAOYSA-N 1 2 496.700 3.259 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3C)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001301772094 1066715341 /nfs/dbraw/zinc/71/53/41/1066715341.db2.gz ZTRDUXVBSGLBOM-DEOSSOPVSA-N 1 2 482.673 3.125 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CC[C@@H](c3cccc(C)c3)C2)CC1 ZINC001301771976 1066715454 /nfs/dbraw/zinc/71/54/54/1066715454.db2.gz ZETZYLRPCHVCRO-HSZRJFAPSA-N 1 2 452.647 3.333 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)ccc3C)nnc2N2CCCC[C@@H](C)C2)CC1 ZINC001301776184 1066722231 /nfs/dbraw/zinc/72/22/31/1066722231.db2.gz WTTPGOXZLJZFMR-OAQYLSRUSA-N 1 2 468.646 3.264 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CSc3ccc(C)cc3)nnc2N(C)Cc2ccoc2)CC1 ZINC001301776389 1066722815 /nfs/dbraw/zinc/72/28/15/1066722815.db2.gz YQQPNHMSDOXLLQ-UHFFFAOYSA-N 1 2 468.627 3.272 20 0 JGADLO COCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001302219912 1066723253 /nfs/dbraw/zinc/72/32/53/1066723253.db2.gz JFAOJTJZRNYMEI-UHFFFAOYSA-N 1 2 456.978 3.285 20 0 JGADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001301801589 1066753027 /nfs/dbraw/zinc/75/30/27/1066753027.db2.gz VDRFTLNTNDEIDF-PXLXIMEGSA-N 1 2 459.575 3.117 20 0 JGADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301824020 1066786337 /nfs/dbraw/zinc/78/63/37/1066786337.db2.gz KKVOWAVDUIQKHW-DUXKGJEZSA-N 1 2 476.572 3.206 20 0 JGADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301824022 1066786849 /nfs/dbraw/zinc/78/68/49/1066786849.db2.gz KKVOWAVDUIQKHW-QMMLZNLJSA-N 1 2 476.572 3.206 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(F)c(F)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302251655 1066787962 /nfs/dbraw/zinc/78/79/62/1066787962.db2.gz WLYAZZFYZTUPBG-RXVVDRJESA-N 1 2 479.572 3.028 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(F)c(F)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001302251655 1066787970 /nfs/dbraw/zinc/78/79/70/1066787970.db2.gz WLYAZZFYZTUPBG-RXVVDRJESA-N 1 2 479.572 3.028 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cnccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001302258435 1066803559 /nfs/dbraw/zinc/80/35/59/1066803559.db2.gz OZZITFSHEOOTHW-AQKFKSFVSA-N 1 2 487.555 3.010 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(Cc2ccco2)C(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001302267628 1066825933 /nfs/dbraw/zinc/82/59/33/1066825933.db2.gz NRBDYBNJFHOGGG-FPOVZHCZSA-N 1 2 461.607 3.121 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(Cc2ccco2)C(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001302267628 1066825945 /nfs/dbraw/zinc/82/59/45/1066825945.db2.gz NRBDYBNJFHOGGG-FPOVZHCZSA-N 1 2 461.607 3.121 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301859679 1066843705 /nfs/dbraw/zinc/84/37/05/1066843705.db2.gz ZDRRLOTUOKQSIY-UWJYYQICSA-N 1 2 471.556 3.207 20 0 JGADLO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301859676 1066843743 /nfs/dbraw/zinc/84/37/43/1066843743.db2.gz ZDRRLOTUOKQSIY-DYESRHJHSA-N 1 2 471.556 3.207 20 0 JGADLO COc1cccc(C[NH+]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3)CC2)c1 ZINC001301876287 1066877473 /nfs/dbraw/zinc/87/74/73/1066877473.db2.gz IVVVLXWXNQMAPK-SANMLTNESA-N 1 2 457.574 3.381 20 0 JGADLO CC(C)(C)OCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001302306676 1066897201 /nfs/dbraw/zinc/89/72/01/1066897201.db2.gz BWKDRIBTQJPHBU-UHFFFAOYSA-N 1 2 493.027 3.297 20 0 JGADLO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCCNc1cccc[nH+]1 ZINC001302329348 1066930253 /nfs/dbraw/zinc/93/02/53/1066930253.db2.gz FRHXJLRUJFOLRU-SFHLNBCPSA-N 1 2 490.674 3.107 20 0 JGADLO CC(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001301916923 1066947344 /nfs/dbraw/zinc/94/73/44/1066947344.db2.gz PIXWUXHGAPPXQM-UHFFFAOYSA-N 1 2 456.978 3.348 20 0 JGADLO CO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001302401181 1066980778 /nfs/dbraw/zinc/98/07/78/1066980778.db2.gz GPIQUUSAKVEONF-AEFFLSMTSA-N 1 2 452.024 3.170 20 0 JGADLO CO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001302401181 1066980788 /nfs/dbraw/zinc/98/07/88/1066980788.db2.gz GPIQUUSAKVEONF-AEFFLSMTSA-N 1 2 452.024 3.170 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001302408338 1066990735 /nfs/dbraw/zinc/99/07/35/1066990735.db2.gz GEFYFRGFOKSNLJ-XZOQPEGZSA-N 1 2 482.673 3.218 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001302408338 1066990743 /nfs/dbraw/zinc/99/07/43/1066990743.db2.gz GEFYFRGFOKSNLJ-XZOQPEGZSA-N 1 2 482.673 3.218 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001302408632 1066990992 /nfs/dbraw/zinc/99/09/92/1066990992.db2.gz IERJWKWRDRJBJB-DHIUTWEWSA-N 1 2 468.646 3.216 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001302408636 1066991514 /nfs/dbraw/zinc/99/15/14/1066991514.db2.gz IERJWKWRDRJBJB-XZOQPEGZSA-N 1 2 468.646 3.216 20 0 JGADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001302432152 1067021110 /nfs/dbraw/zinc/02/11/10/1067021110.db2.gz ZFUAEYPTPLRIAX-LADGPHEKSA-N 1 2 482.673 3.464 20 0 JGADLO CC1(C)COCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001303981551 1067028977 /nfs/dbraw/zinc/02/89/77/1067028977.db2.gz LUQJNQFOCJGWGV-UHFFFAOYSA-N 1 2 495.550 3.205 20 0 JGADLO CC1(C)COCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001303981551 1067028989 /nfs/dbraw/zinc/02/89/89/1067028989.db2.gz LUQJNQFOCJGWGV-UHFFFAOYSA-N 1 2 495.550 3.205 20 0 JGADLO CC(C)(C)[S@@](=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001303997226 1067039353 /nfs/dbraw/zinc/03/93/53/1067039353.db2.gz KGWVBWNJGGQZGI-HEIROHQZSA-N 1 2 480.078 3.447 20 0 JGADLO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CC1([NH+]2CCOCC2)CC1 ZINC001302451718 1067053377 /nfs/dbraw/zinc/05/33/77/1067053377.db2.gz LOBKQZAGAXQZFA-UHFFFAOYSA-N 1 2 495.455 3.325 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2CC[N@@H+]2CCOC[C@H]2C)c1C ZINC001304020993 1067065079 /nfs/dbraw/zinc/06/50/79/1067065079.db2.gz WMJDAXCFLBNTNM-CEMLEFRQSA-N 1 2 457.619 3.371 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCCO3)n2CC[N@H+]2CCOC[C@H]2C)c1C ZINC001304020993 1067065090 /nfs/dbraw/zinc/06/50/90/1067065090.db2.gz WMJDAXCFLBNTNM-CEMLEFRQSA-N 1 2 457.619 3.371 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCS(C)(=O)=O)c1C ZINC001304025076 1067070443 /nfs/dbraw/zinc/07/04/43/1067070443.db2.gz FLDJQZBLXHIKMM-IBGZPJMESA-N 1 2 463.648 3.000 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCS(=O)(=O)C2)c1C ZINC001304031321 1067079299 /nfs/dbraw/zinc/07/92/99/1067079299.db2.gz SQZIVDATJVFAEU-FGZHOGPDSA-N 1 2 489.686 3.248 20 0 JGADLO CC1=C(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001304032309 1067081389 /nfs/dbraw/zinc/08/13/89/1067081389.db2.gz VHYUSIQVEWMEDR-QFIPXVFZSA-N 1 2 487.670 3.252 20 0 JGADLO CC1=C(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001304032309 1067081406 /nfs/dbraw/zinc/08/14/06/1067081406.db2.gz VHYUSIQVEWMEDR-QFIPXVFZSA-N 1 2 487.670 3.252 20 0 JGADLO Cc1nc(CCn2c(Cc3ccccc3F)nnc2N(C)CC[NH+]2CCOCC2)sc1C ZINC001304046230 1067089334 /nfs/dbraw/zinc/08/93/34/1067089334.db2.gz OXXCJBJXKHPVJN-UHFFFAOYSA-N 1 2 458.607 3.092 20 0 JGADLO Cc1nc(CCn2c(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)sc1C ZINC001304050779 1067092805 /nfs/dbraw/zinc/09/28/05/1067092805.db2.gz RQYHOUOMTBOSCX-SFHVURJKSA-N 1 2 473.691 3.025 20 0 JGADLO Cc1nc(-c2ccccc2)sc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1CCCC(=O)N(C)C ZINC001304057515 1067098453 /nfs/dbraw/zinc/09/84/53/1067098453.db2.gz UBHULVGJPKJFHJ-UHFFFAOYSA-N 1 2 497.669 3.014 20 0 JGADLO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1cccs1)[NH+]1CCOCC1 ZINC001302511739 1067123131 /nfs/dbraw/zinc/12/31/31/1067123131.db2.gz WLWGMBJBNNJVTJ-RTBURBONSA-N 1 2 460.648 3.130 20 0 JGADLO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001302514102 1067129489 /nfs/dbraw/zinc/12/94/89/1067129489.db2.gz NQXZJNRIGKFEFT-MSOLQXFVSA-N 1 2 495.550 3.061 20 0 JGADLO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001302514103 1067129513 /nfs/dbraw/zinc/12/95/13/1067129513.db2.gz NQXZJNRIGKFEFT-QZTJIDSGSA-N 1 2 495.550 3.061 20 0 JGADLO Cc1c(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)cnn1C ZINC001304089337 1067133435 /nfs/dbraw/zinc/13/34/35/1067133435.db2.gz VUVWVHIWJHWORC-LAUBAEHRSA-N 1 2 473.572 3.432 20 0 JGADLO CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)c1 ZINC001304103691 1067144679 /nfs/dbraw/zinc/14/46/79/1067144679.db2.gz DHEBYDGTSJHPAF-UHFFFAOYSA-N 1 2 457.394 3.160 20 0 JGADLO CC(C)CNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)c1 ZINC001304103691 1067144685 /nfs/dbraw/zinc/14/46/85/1067144685.db2.gz DHEBYDGTSJHPAF-UHFFFAOYSA-N 1 2 457.394 3.160 20 0 JGADLO CS[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001302535271 1067165024 /nfs/dbraw/zinc/16/50/24/1067165024.db2.gz OKCDZELLWPGENP-INIZCTEOSA-N 1 2 451.040 3.143 20 0 JGADLO Cc1c(Cl)cccc1NC(=O)CCn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001304133378 1067171447 /nfs/dbraw/zinc/17/14/47/1067171447.db2.gz KEDAXMFYRJTDLY-UHFFFAOYSA-N 1 2 498.031 3.023 20 0 JGADLO Cc1nnc(N(C)CC(=O)Nc2c(C)cccc2C)n1C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001304134009 1067173007 /nfs/dbraw/zinc/17/30/07/1067173007.db2.gz UCZXMNRBBBGPOI-FQEVSTJZSA-N 1 2 468.627 3.413 20 0 JGADLO CS[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001302548637 1067185392 /nfs/dbraw/zinc/18/53/92/1067185392.db2.gz RYGQWXALAUQPJZ-SJLPKXTDSA-N 1 2 496.523 3.392 20 0 JGADLO CS[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001302556366 1067194750 /nfs/dbraw/zinc/19/47/50/1067194750.db2.gz XSSLFZAWNKXHJV-QGZVFWFLSA-N 1 2 453.620 3.035 20 0 JGADLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001302561923 1067201824 /nfs/dbraw/zinc/20/18/24/1067201824.db2.gz MBXIIJIZUYATRO-UHFFFAOYSA-N 1 2 453.624 3.336 20 0 JGADLO CS[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001302566138 1067205303 /nfs/dbraw/zinc/20/53/03/1067205303.db2.gz KSJMRUMOQSODGE-HXUWFJFHSA-N 1 2 483.690 3.440 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)Cc3cscn3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001304169941 1067217752 /nfs/dbraw/zinc/21/77/52/1067217752.db2.gz XSNGKFHHAMJZLL-IBGZPJMESA-N 1 2 456.616 3.288 20 0 JGADLO CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001302593389 1067231670 /nfs/dbraw/zinc/23/16/70/1067231670.db2.gz GCNBTFRFCFMKLQ-LREBORMDSA-N 1 2 459.637 3.001 20 0 JGADLO CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001302593389 1067231675 /nfs/dbraw/zinc/23/16/75/1067231675.db2.gz GCNBTFRFCFMKLQ-LREBORMDSA-N 1 2 459.637 3.001 20 0 JGADLO Cc1cc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNc2cccc[nH+]2)no1 ZINC001304199049 1067249224 /nfs/dbraw/zinc/24/92/24/1067249224.db2.gz OKUDCZPCPUNXON-UHFFFAOYSA-N 1 2 481.582 3.179 20 0 JGADLO Cc1cccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001304205085 1067251426 /nfs/dbraw/zinc/25/14/26/1067251426.db2.gz KYKRHZZVGZWJKR-PMACEKPBSA-N 1 2 473.668 3.489 20 0 JGADLO Cc1cc(N2CCN(c3nnc([C@H]4CCCCO4)n3C[C@](C)(O)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245558 1067280694 /nfs/dbraw/zinc/28/06/94/1067280694.db2.gz MGAYRKYCSRYEMS-NLFFAJNJSA-N 1 2 471.650 3.475 20 0 JGADLO CSc1ccccc1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNc1cccc[nH+]1 ZINC001302658325 1067286124 /nfs/dbraw/zinc/28/61/24/1067286124.db2.gz CFCWAOUOPOHHOP-SFHVURJKSA-N 1 2 451.600 3.485 20 0 JGADLO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001304271836 1067307742 /nfs/dbraw/zinc/30/77/42/1067307742.db2.gz DHOBZOYAVZHJSR-OFNKIYASSA-N 1 2 484.645 3.414 20 0 JGADLO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3cnccn3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001304273286 1067309621 /nfs/dbraw/zinc/30/96/21/1067309621.db2.gz LCYDDWPSURXBME-NRFANRHFSA-N 1 2 479.629 3.436 20 0 JGADLO CC(C)c1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302685488 1067310437 /nfs/dbraw/zinc/31/04/37/1067310437.db2.gz GGXALMCMRXDMDB-INIZCTEOSA-N 1 2 468.433 3.151 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001302692171 1067317652 /nfs/dbraw/zinc/31/76/52/1067317652.db2.gz GXFPKTQSJXFBKT-UXHICEINSA-N 1 2 454.610 3.068 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N(C)CC3CCOCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304283516 1067324652 /nfs/dbraw/zinc/32/46/52/1067324652.db2.gz VDIJNFGGHOBOGU-UHFFFAOYSA-N 1 2 484.689 3.363 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N(C)CC3CCOCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304283516 1067324662 /nfs/dbraw/zinc/32/46/62/1067324662.db2.gz VDIJNFGGHOBOGU-UHFFFAOYSA-N 1 2 484.689 3.363 20 0 JGADLO CSC[C@H]1CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302709683 1067331775 /nfs/dbraw/zinc/33/17/75/1067331775.db2.gz QCDGDDSWIVHWTL-QGZVFWFLSA-N 1 2 471.656 3.111 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001302721780 1067337245 /nfs/dbraw/zinc/33/72/45/1067337245.db2.gz DMPGIHDFNRGPFT-NNWRFLSQSA-N 1 2 486.686 3.189 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(COc4cc(C)ccc4C)n3CCC(=O)NC(C)C)CC2)on1 ZINC001304291129 1067338943 /nfs/dbraw/zinc/33/89/43/1067338943.db2.gz KHQLEUFCNPPUQR-UHFFFAOYSA-N 1 2 495.628 3.007 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001304291481 1067339120 /nfs/dbraw/zinc/33/91/20/1067339120.db2.gz MWYIEKJVTJUMDA-FYYLOGMGSA-N 1 2 471.646 3.446 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001302725760 1067341651 /nfs/dbraw/zinc/34/16/51/1067341651.db2.gz JHAYJWHAVNRGHE-CNNODRBYSA-N 1 2 491.727 3.205 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302725760 1067341662 /nfs/dbraw/zinc/34/16/62/1067341662.db2.gz JHAYJWHAVNRGHE-CNNODRBYSA-N 1 2 491.727 3.205 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(COc4cc(C)ccc4C)n3CC(C)(C)O)CC2)s1 ZINC001304293046 1067342303 /nfs/dbraw/zinc/34/23/03/1067342303.db2.gz ZOWNHSDLCRHGEN-UHFFFAOYSA-N 1 2 470.643 3.332 20 0 JGADLO CSCC[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)[nH+]1 ZINC001302727567 1067343350 /nfs/dbraw/zinc/34/33/50/1067343350.db2.gz RGOZHSDMZKMXLI-QZTJIDSGSA-N 1 2 451.662 3.094 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302727836 1067343906 /nfs/dbraw/zinc/34/39/06/1067343906.db2.gz UHPZBOJOHMTNIC-IRXDYDNUSA-N 1 2 453.603 3.446 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)o1 ZINC001304295697 1067344976 /nfs/dbraw/zinc/34/49/76/1067344976.db2.gz JKLSJXBPVMQOPR-MRXNPFEDSA-N 1 2 472.977 3.296 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@H]2C)o1 ZINC001304295655 1067345062 /nfs/dbraw/zinc/34/50/62/1067345062.db2.gz HQDWVSNPTZMAGE-MRXNPFEDSA-N 1 2 472.977 3.296 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@H]2C)o1 ZINC001304295655 1067345069 /nfs/dbraw/zinc/34/50/69/1067345069.db2.gz HQDWVSNPTZMAGE-MRXNPFEDSA-N 1 2 472.977 3.296 20 0 JGADLO CC(C)[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001302730168 1067345259 /nfs/dbraw/zinc/34/52/59/1067345259.db2.gz IVDVKUAYALYRGF-SFTDATJTSA-N 1 2 477.650 3.324 20 0 JGADLO CC(C)[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001302730168 1067345269 /nfs/dbraw/zinc/34/52/69/1067345269.db2.gz IVDVKUAYALYRGF-SFTDATJTSA-N 1 2 477.650 3.324 20 0 JGADLO CSCCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001302742507 1067351882 /nfs/dbraw/zinc/35/18/82/1067351882.db2.gz IKDVNQVSPCEOCC-UHFFFAOYSA-N 1 2 480.642 3.482 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCC=CO2)cc1Br ZINC001304304886 1067353420 /nfs/dbraw/zinc/35/34/20/1067353420.db2.gz VDSSEUAKHCNHKX-IBGZPJMESA-N 1 2 476.419 3.477 20 0 JGADLO CC(C)[C@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302747001 1067355162 /nfs/dbraw/zinc/35/51/62/1067355162.db2.gz MDJRMSRFJJBDRL-MXEMCNAFSA-N 1 2 476.666 3.394 20 0 JGADLO CC(C)[C@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001302747001 1067355173 /nfs/dbraw/zinc/35/51/73/1067355173.db2.gz MDJRMSRFJJBDRL-MXEMCNAFSA-N 1 2 476.666 3.394 20 0 JGADLO CC(C)[C@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302747002 1067355276 /nfs/dbraw/zinc/35/52/76/1067355276.db2.gz MDJRMSRFJJBDRL-UWHLTILDSA-N 1 2 476.666 3.394 20 0 JGADLO CC(C)[C@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302747002 1067355284 /nfs/dbraw/zinc/35/52/84/1067355284.db2.gz MDJRMSRFJJBDRL-UWHLTILDSA-N 1 2 476.666 3.394 20 0 JGADLO CC(C)[C@@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302747000 1067355302 /nfs/dbraw/zinc/35/53/02/1067355302.db2.gz MDJRMSRFJJBDRL-CGXNFDGLSA-N 1 2 476.666 3.394 20 0 JGADLO CC(C)[C@@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001302747000 1067355312 /nfs/dbraw/zinc/35/53/12/1067355312.db2.gz MDJRMSRFJJBDRL-CGXNFDGLSA-N 1 2 476.666 3.394 20 0 JGADLO CSCCCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001302792734 1067384087 /nfs/dbraw/zinc/38/40/87/1067384087.db2.gz GMEWAZKKLCXQQW-UHFFFAOYSA-N 1 2 457.648 3.023 20 0 JGADLO CSCCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001302801586 1067390443 /nfs/dbraw/zinc/39/04/43/1067390443.db2.gz YWBUGQLKBSUXMW-UHFFFAOYSA-N 1 2 451.040 3.145 20 0 JGADLO CSCCCn1c(-c2ccccc2Br)nnc1N(C)CC[NH+]1CCOCC1 ZINC001302802428 1067391293 /nfs/dbraw/zinc/39/12/93/1067391293.db2.gz APMSGHNVTBNZES-UHFFFAOYSA-N 1 2 454.438 3.229 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)ccc1F)CCC2 ZINC001304364167 1067402982 /nfs/dbraw/zinc/40/29/82/1067402982.db2.gz DZFAXTKNDKCATO-MSOLQXFVSA-N 1 2 489.621 3.055 20 0 JGADLO CSCCCn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001302826070 1067416154 /nfs/dbraw/zinc/41/61/54/1067416154.db2.gz FVEZEXKEBDTYQY-HSZRJFAPSA-N 1 2 460.648 3.096 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CC[C@H](F)C2)cc1C ZINC001304375964 1067416706 /nfs/dbraw/zinc/41/67/06/1067416706.db2.gz SWDCDABNLRQYPE-PMACEKPBSA-N 1 2 458.582 3.054 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001304376069 1067416719 /nfs/dbraw/zinc/41/67/19/1067416719.db2.gz SIGVOMYWGKYVGJ-UPVQGACJSA-N 1 2 498.672 3.367 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001304376068 1067416739 /nfs/dbraw/zinc/41/67/39/1067416739.db2.gz SIGVOMYWGKYVGJ-LADGPHEKSA-N 1 2 498.672 3.367 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001304377866 1067420772 /nfs/dbraw/zinc/42/07/72/1067420772.db2.gz KAWCWGCCUPDJPW-BGYRXZFFSA-N 1 2 454.619 3.350 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001304377866 1067420775 /nfs/dbraw/zinc/42/07/75/1067420775.db2.gz KAWCWGCCUPDJPW-BGYRXZFFSA-N 1 2 454.619 3.350 20 0 JGADLO C[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H]1O ZINC001302839252 1067425906 /nfs/dbraw/zinc/42/59/06/1067425906.db2.gz OFMAPXKCPBXCKR-BEFAXECRSA-N 1 2 471.403 3.424 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCCNc2cccc[nH+]2)C[C@@H]1O ZINC001302842744 1067429358 /nfs/dbraw/zinc/42/93/58/1067429358.db2.gz UIADCLXHYGFTHY-AABGKKOBSA-N 1 2 485.633 3.454 20 0 JGADLO CCOC(=O)CS[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C(F)(F)F ZINC001302852769 1067437616 /nfs/dbraw/zinc/43/76/16/1067437616.db2.gz FOXUYJHCWNSXGU-RDJZCZTQSA-N 1 2 450.548 3.120 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001304408933 1067473839 /nfs/dbraw/zinc/47/38/39/1067473839.db2.gz YGCWUXFWBMYVDO-BJLQDIEVSA-N 1 2 483.535 3.042 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001304412249 1067480865 /nfs/dbraw/zinc/48/08/65/1067480865.db2.gz JESVETIBQHRJGV-VXKWHMMOSA-N 1 2 498.672 3.017 20 0 JGADLO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)C[C@H](C)O1 ZINC001302901968 1067486508 /nfs/dbraw/zinc/48/65/08/1067486508.db2.gz VLMMSNIVRYDFER-WORKWWTESA-N 1 2 466.051 3.055 20 0 JGADLO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2CC2([S@@](C)=O)CC2)C[C@H](C)O1 ZINC001302901968 1067486511 /nfs/dbraw/zinc/48/65/11/1067486511.db2.gz VLMMSNIVRYDFER-WORKWWTESA-N 1 2 466.051 3.055 20 0 JGADLO Cc1ccc(SCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001304436750 1067515333 /nfs/dbraw/zinc/51/53/33/1067515333.db2.gz AWUAHMATQSWKOC-HXUWFJFHSA-N 1 2 486.667 3.011 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C/C=C/c1ccccc1 ZINC001302948609 1067522370 /nfs/dbraw/zinc/52/23/70/1067522370.db2.gz YTXUWIKZJBDCNI-RUCTVCJSSA-N 1 2 450.631 3.323 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCOC1CCCCCC1 ZINC001302964115 1067534450 /nfs/dbraw/zinc/53/44/50/1067534450.db2.gz BCYCJXLIEDECAM-RUZDIDTESA-N 1 2 490.737 3.447 20 0 JGADLO Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2sccc2Br)n1 ZINC001304460680 1067539941 /nfs/dbraw/zinc/53/99/41/1067539941.db2.gz UXMYSCHLICNDPD-UHFFFAOYSA-N 1 2 477.432 3.289 20 0 JGADLO Cc1occc1C(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001304481909 1067561298 /nfs/dbraw/zinc/56/12/98/1067561298.db2.gz HXFNODAHBYUWEL-UHFFFAOYSA-N 1 2 493.612 3.053 20 0 JGADLO O=C(Nc1cc(Br)cc2c1NC(=O)CO2)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001303005667 1067561785 /nfs/dbraw/zinc/56/17/85/1067561785.db2.gz GYEFKIIXWRTWAC-UHFFFAOYSA-N 1 2 456.300 3.341 20 0 JGADLO Cc1cccc(CCCn2c(-c3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)[nH+]1 ZINC001304482672 1067561955 /nfs/dbraw/zinc/56/19/55/1067561955.db2.gz PWOCRVWPKZHBQH-HXUWFJFHSA-N 1 2 454.600 3.080 20 0 JGADLO Cc1cc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCCc3cccc(C)[nH+]3)CC2)no1 ZINC001304483123 1067562285 /nfs/dbraw/zinc/56/22/85/1067562285.db2.gz ULBVDBWCJRBKFD-UHFFFAOYSA-N 1 2 451.575 3.433 20 0 JGADLO CC(C)CC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001303009620 1067564266 /nfs/dbraw/zinc/56/42/66/1067564266.db2.gz JEWRRFVPGFALOV-VWLOTQADSA-N 1 2 451.619 3.495 20 0 JGADLO Cc1cccc(CCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCS(=O)(=O)CC2)[nH+]1 ZINC001304486709 1067565273 /nfs/dbraw/zinc/56/52/73/1067565273.db2.gz OCFOBRAFYCKBHN-UHFFFAOYSA-N 1 2 460.003 3.093 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C(N)=O)C2)[nH+]1 ZINC001304489462 1067568035 /nfs/dbraw/zinc/56/80/35/1067568035.db2.gz ZUJZWZSQRKCRCD-CEWLAPEOSA-N 1 2 454.619 3.235 20 0 JGADLO Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001304502353 1067576678 /nfs/dbraw/zinc/57/66/78/1067576678.db2.gz GXHIYAZMWFKMFP-PZJWPPBQSA-N 1 2 489.667 3.153 20 0 JGADLO Cc1cccc(OCc2nnc(N(C)CCc3nccs3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001304504296 1067578505 /nfs/dbraw/zinc/57/85/05/1067578505.db2.gz OXMZELYIYGTYIN-IBGZPJMESA-N 1 2 456.616 3.022 20 0 JGADLO Cc1cccc(OCc2nnc(N(C)CCc3nccs3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001304504296 1067578511 /nfs/dbraw/zinc/57/85/11/1067578511.db2.gz OXMZELYIYGTYIN-IBGZPJMESA-N 1 2 456.616 3.022 20 0 JGADLO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001304522953 1067597593 /nfs/dbraw/zinc/59/75/93/1067597593.db2.gz XRYBNEQZYQJUOL-QUCCMNQESA-N 1 2 468.627 3.195 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001304532872 1067604035 /nfs/dbraw/zinc/60/40/35/1067604035.db2.gz ZLZOKNJXEUGWJB-WOJBJXKFSA-N 1 2 489.686 3.155 20 0 JGADLO Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001304538548 1067610153 /nfs/dbraw/zinc/61/01/53/1067610153.db2.gz UJYYUIMSGMCZOW-JGCGQSQUSA-N 1 2 459.660 3.102 20 0 JGADLO CC(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001303081915 1067615758 /nfs/dbraw/zinc/61/57/58/1067615758.db2.gz RBCNIEXPOGZEKU-IBGZPJMESA-N 1 2 474.600 3.326 20 0 JGADLO Cc1ccccc1Cc1nnc(N(C)CC[NH+]2CCOCC2)n1CCOc1ccc(Cl)cn1 ZINC001304547156 1067616470 /nfs/dbraw/zinc/61/64/70/1067616470.db2.gz GJFXWQKMNDTKGW-UHFFFAOYSA-N 1 2 471.005 3.073 20 0 JGADLO Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001304548742 1067617654 /nfs/dbraw/zinc/61/76/54/1067617654.db2.gz ZXZNHKPVACGOHD-RTWAWAEBSA-N 1 2 473.668 3.165 20 0 JGADLO CC(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001303084801 1067618320 /nfs/dbraw/zinc/61/83/20/1067618320.db2.gz NGYXKGWJMZHGEZ-UHFFFAOYSA-N 1 2 453.616 3.339 20 0 JGADLO Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001304571240 1067639475 /nfs/dbraw/zinc/63/94/75/1067639475.db2.gz ZSDJAGABJHIFPS-NRFANRHFSA-N 1 2 452.647 3.356 20 0 JGADLO O=C1CCN(c2nnc(-c3ccc(F)cc3Br)n2CCCNc2cccc[nH+]2)CCN1 ZINC001303108941 1067646579 /nfs/dbraw/zinc/64/65/79/1067646579.db2.gz UNAQSPAYZKFRFT-UHFFFAOYSA-N 1 2 488.365 3.070 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@H](C)Oc3ccc(F)cc3)nnc1N(C)[C@H](C)CC(N)=O)CCC2 ZINC001304606346 1067673089 /nfs/dbraw/zinc/67/30/89/1067673089.db2.gz IEVUFPXGEINHBH-SQNIBIBYSA-N 1 2 469.565 3.340 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(F)cc(F)c1)CCC2 ZINC001304607228 1067674245 /nfs/dbraw/zinc/67/42/45/1067674245.db2.gz UZAKIEDOPGEBDE-KRWDZBQOSA-N 1 2 457.529 3.413 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cccs1)CCC2 ZINC001304607426 1067674713 /nfs/dbraw/zinc/67/47/13/1067674713.db2.gz ZMHRUZYSJIQVBX-IKGGRYGDSA-N 1 2 477.660 3.230 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c(COc3ccccc3F)nnc1N(C)CC(=O)NC(C)C)CCC2 ZINC001304609111 1067676612 /nfs/dbraw/zinc/67/66/12/1067676612.db2.gz QTMLHPZHUYYINS-SFHVURJKSA-N 1 2 469.565 3.040 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1)CCC2 ZINC001304610215 1067677494 /nfs/dbraw/zinc/67/74/94/1067677494.db2.gz ZPCBUCNAARPNKC-FQEVSTJZSA-N 1 2 457.623 3.474 20 0 JGADLO Cc1coc(C)c1Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001304616414 1067684507 /nfs/dbraw/zinc/68/45/07/1067684507.db2.gz IKUMDDYVOLQPPJ-LJQANCHMSA-N 1 2 456.635 3.258 20 0 JGADLO Cc1csc(CCCCn2c(CC(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1 ZINC001304626090 1067696528 /nfs/dbraw/zinc/69/65/28/1067696528.db2.gz MBXHBUISFNTYSY-NRFANRHFSA-N 1 2 487.718 3.397 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CCOc2ccc(Cl)cc2)cs1 ZINC001304656976 1067725214 /nfs/dbraw/zinc/72/52/14/1067725214.db2.gz QVGWQAQSTIGCTB-UHFFFAOYSA-N 1 2 477.034 3.135 20 0 JGADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)CC[C@H]2C)C1 ZINC001303201903 1067737684 /nfs/dbraw/zinc/73/76/84/1067737684.db2.gz RDVXRANBSUVPNB-VWPQPMDRSA-N 1 2 489.686 3.330 20 0 JGADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)CC[C@H]2C)C1 ZINC001303201903 1067737688 /nfs/dbraw/zinc/73/76/88/1067737688.db2.gz RDVXRANBSUVPNB-VWPQPMDRSA-N 1 2 489.686 3.330 20 0 JGADLO Cc1nc(Cc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cs1 ZINC001304677026 1067749073 /nfs/dbraw/zinc/74/90/73/1067749073.db2.gz NYILHPXKCHSKAR-SFHVURJKSA-N 1 2 498.657 3.247 20 0 JGADLO Cc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[NH+]2CCOCC2)cs1 ZINC001304679140 1067751969 /nfs/dbraw/zinc/75/19/69/1067751969.db2.gz JCYLZHKQNPCDLA-KRWDZBQOSA-N 1 2 474.606 3.333 20 0 JGADLO Cc1nnc(CCn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[NH+](CC(C)C)CC2)[nH]1 ZINC001304680290 1067753211 /nfs/dbraw/zinc/75/32/11/1067753211.db2.gz IQGQWFBQGWAEEQ-UHFFFAOYSA-N 1 2 487.450 3.463 20 0 JGADLO Cc1nc(CCn2c(-c3ccc(Br)cc3)nnc2N(C)CC[NH+]2CCOCC2)cs1 ZINC001304680325 1067753485 /nfs/dbraw/zinc/75/34/85/1067753485.db2.gz KGGGLNMETLCMOW-UHFFFAOYSA-N 1 2 491.459 3.484 20 0 JGADLO Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cs1 ZINC001304684735 1067756511 /nfs/dbraw/zinc/75/65/11/1067756511.db2.gz OYDVKPNJVWOHLS-SFHVURJKSA-N 1 2 473.691 3.007 20 0 JGADLO CC(C)CO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001303228886 1067763924 /nfs/dbraw/zinc/76/39/24/1067763924.db2.gz RQCRVYOEUKODTA-OAQYLSRUSA-N 1 2 456.635 3.398 20 0 JGADLO CC(C)CO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001303230563 1067765131 /nfs/dbraw/zinc/76/51/31/1067765131.db2.gz REPBRRKNEDCPJO-MOPGFXCFSA-N 1 2 463.573 3.119 20 0 JGADLO Cc1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)s1 ZINC001304692920 1067766207 /nfs/dbraw/zinc/76/62/07/1067766207.db2.gz JWLVLAUWXQUSKD-YLJYHZDGSA-N 1 2 492.646 3.024 20 0 JGADLO Cc1ncc(CN(C)c2nnc(COc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)s1 ZINC001304693221 1067766522 /nfs/dbraw/zinc/76/65/22/1067766522.db2.gz HUUJXENPPYSWTB-INIZCTEOSA-N 1 2 460.579 3.118 20 0 JGADLO CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001303235645 1067767592 /nfs/dbraw/zinc/76/75/92/1067767592.db2.gz KWQNXKXUJDGBLV-KNQAVFIVSA-N 1 2 478.037 3.483 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCCN3CCCCCC3=O)CC2)s1 ZINC001304699704 1067770167 /nfs/dbraw/zinc/77/01/67/1067770167.db2.gz DFSZJAGULSDNFI-UHFFFAOYSA-N 1 2 473.691 3.455 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(OC(C)C)cc3)CC2)s1 ZINC001304701057 1067771786 /nfs/dbraw/zinc/77/17/86/1067771786.db2.gz ZAAHADJZXPMRMD-UHFFFAOYSA-N 1 2 497.669 3.339 20 0 JGADLO Cc1nc(N2CCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CC(C)(C)C(C)C)CC2)cc[nH+]1 ZINC001304701757 1067772706 /nfs/dbraw/zinc/77/27/06/1067772706.db2.gz KSZRXSVKXIXFNH-UHFFFAOYSA-N 1 2 497.669 3.456 20 0 JGADLO Cc1nc(N2CCN(c3nnc([C@@H](C)Oc4ccccc4F)n3C[C@@](C)(O)C(C)C)CC2)cc[nH+]1 ZINC001304702608 1067774554 /nfs/dbraw/zinc/77/45/54/1067774554.db2.gz VSANSJUWXIHIKY-IQGLISFBSA-N 1 2 483.592 3.389 20 0 JGADLO Cc1nc(N2CCN(c3nnc([C@H](C)Oc4ccccc4F)n3C[C@@](C)(O)C(C)C)CC2)cc[nH+]1 ZINC001304702605 1067774601 /nfs/dbraw/zinc/77/46/01/1067774601.db2.gz VSANSJUWXIHIKY-AVRWGWEMSA-N 1 2 483.592 3.389 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001304741578 1067817650 /nfs/dbraw/zinc/81/76/50/1067817650.db2.gz JYLIUABXCFXVAR-OAQYLSRUSA-N 1 2 481.555 3.147 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)n1 ZINC001304745619 1067825184 /nfs/dbraw/zinc/82/51/84/1067825184.db2.gz RYFNTTWRQUIDOU-OAQYLSRUSA-N 1 2 496.660 3.059 20 0 JGADLO Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001303306812 1067835104 /nfs/dbraw/zinc/83/51/04/1067835104.db2.gz UBQCEEWHVJEQDV-SFHVURJKSA-N 1 2 455.349 3.087 20 0 JGADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2nc(N(C)C)ncc2Br)CC1 ZINC001303314931 1067843067 /nfs/dbraw/zinc/84/30/67/1067843067.db2.gz ZEVNGBWHNDBYQQ-QGZVFWFLSA-N 1 2 450.356 3.353 20 0 JGADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CC1 ZINC001303314769 1067843113 /nfs/dbraw/zinc/84/31/13/1067843113.db2.gz PQNVVZRDPOUADF-FQEVSTJZSA-N 1 2 453.967 3.296 20 0 JGADLO CC(C)[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001303317018 1067844899 /nfs/dbraw/zinc/84/48/99/1067844899.db2.gz MUYADDKWMYLRJE-KRWDZBQOSA-N 1 2 484.091 3.189 20 0 JGADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(C4CCCC4)n3CCSC(F)(F)F)CC2)C1 ZINC001303318583 1067850337 /nfs/dbraw/zinc/85/03/37/1067850337.db2.gz VJQFKIFSFHIOSQ-IBGZPJMESA-N 1 2 490.640 3.420 20 0 JGADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc([C@H]4CCCO4)n3CCCC(C)(C)C)CC2)C1 ZINC001303318653 1067850723 /nfs/dbraw/zinc/85/07/23/1067850723.db2.gz XJWMPCRHWVNKHI-FCHUYYIVSA-N 1 2 462.683 3.187 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001303323632 1067852036 /nfs/dbraw/zinc/85/20/36/1067852036.db2.gz GELWORQNIKMCJO-DYESRHJHSA-N 1 2 478.588 3.249 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccccc2F)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001303324066 1067852949 /nfs/dbraw/zinc/85/29/49/1067852949.db2.gz LANGUPSTUFKERK-NQIIRXRSSA-N 1 2 460.598 3.110 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1Cc1ccccc1 ZINC001303330733 1067859935 /nfs/dbraw/zinc/85/99/35/1067859935.db2.gz RGBADQWBNYKVEV-FQEVSTJZSA-N 1 2 468.627 3.036 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)Cc2c(F)cccc2Cl)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001303330872 1067860781 /nfs/dbraw/zinc/86/07/81/1067860781.db2.gz GRGATCYRYKPNDN-HXUWFJFHSA-N 1 2 481.016 3.202 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001303337752 1067867538 /nfs/dbraw/zinc/86/75/38/1067867538.db2.gz UKUTYVXWNAXBQM-JTHBVZDNSA-N 1 2 466.630 3.110 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001303337752 1067867547 /nfs/dbraw/zinc/86/75/47/1067867547.db2.gz UKUTYVXWNAXBQM-JTHBVZDNSA-N 1 2 466.630 3.110 20 0 JGADLO Cc1nnc(CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304778770 1067873984 /nfs/dbraw/zinc/87/39/84/1067873984.db2.gz PFYGZICNODNIFV-MRXNPFEDSA-N 1 2 492.049 3.243 20 0 JGADLO Cc1nnc(Cn2c(CSc3ccc(Cl)cc3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304787452 1067881517 /nfs/dbraw/zinc/88/15/17/1067881517.db2.gz LKPWVSXUQOLZLR-UHFFFAOYSA-N 1 2 480.063 3.200 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001303359294 1067886349 /nfs/dbraw/zinc/88/63/49/1067886349.db2.gz SDHOXKZSOHEPIM-UHFFFAOYSA-N 1 2 494.562 3.076 20 0 JGADLO COc1ccc(C[C@@](C)(CO)NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cc1OC ZINC001303364884 1067892260 /nfs/dbraw/zinc/89/22/60/1067892260.db2.gz WJOVXWDOCHOICW-VWLOTQADSA-N 1 2 450.539 3.138 20 0 JGADLO O=C(CNC(=O)NCc1ccc(Cl)cc1)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001303368539 1067897796 /nfs/dbraw/zinc/89/77/96/1067897796.db2.gz XSBNFFSYIIKZRM-UHFFFAOYSA-N 1 2 451.958 3.357 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001303389140 1067917882 /nfs/dbraw/zinc/91/78/82/1067917882.db2.gz LZMANAZFOAXGEM-FQEVSTJZSA-N 1 2 469.634 3.244 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CC1(O)CCCCCC1 ZINC001303408500 1067935628 /nfs/dbraw/zinc/93/56/28/1067935628.db2.gz ZWJIXURXKATADG-UHFFFAOYSA-N 1 2 489.064 3.477 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C(C)(C)O)cc3)CC2)on1 ZINC001304902008 1067945685 /nfs/dbraw/zinc/94/56/85/1067945685.db2.gz PVLQBYGGOHHKFE-UHFFFAOYSA-N 1 2 452.603 3.371 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(Cc4ccc(F)cc4)n3CCNC(=O)OC(C)(C)C)CC2)on1 ZINC001304902340 1067946389 /nfs/dbraw/zinc/94/63/89/1067946389.db2.gz YVASDRSWEHAEGY-UHFFFAOYSA-N 1 2 499.591 3.151 20 0 JGADLO C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001304919644 1067961557 /nfs/dbraw/zinc/96/15/57/1067961557.db2.gz LJHAUSBJEHDUQY-OGWHTMIXSA-N 1 2 451.662 3.027 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H](C)c2ccc(F)cc2)CCOC1 ZINC001303487636 1068010867 /nfs/dbraw/zinc/01/08/67/1068010867.db2.gz PCYZMLMWLPECNC-NLFFAJNJSA-N 1 2 475.609 3.030 20 0 JGADLO CC(C)O[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2cccc(C(F)(F)F)c2)CCOC1 ZINC001303487921 1068011119 /nfs/dbraw/zinc/01/11/19/1068011119.db2.gz UJYWMSDUVICYES-HSZRJFAPSA-N 1 2 497.562 3.154 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2cccc(C(F)(F)F)c2)CCOC1 ZINC001303487922 1068011378 /nfs/dbraw/zinc/01/13/78/1068011378.db2.gz UJYWMSDUVICYES-QHCPKHFHSA-N 1 2 497.562 3.154 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCCNc2cccc[nH+]2)CCOC1 ZINC001303488614 1068012185 /nfs/dbraw/zinc/01/21/85/1068012185.db2.gz FLMQZQNYCGKHAR-DVECYGJZSA-N 1 2 458.607 3.220 20 0 JGADLO CCc1c(C(=O)NCc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)cnn1CC ZINC001303491918 1068016938 /nfs/dbraw/zinc/01/69/38/1068016938.db2.gz GJTSLWADCKIYLA-UHFFFAOYSA-N 1 2 455.603 3.448 20 0 JGADLO Cc1nccc(CCC(=O)NCc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1 ZINC001303492649 1068017973 /nfs/dbraw/zinc/01/79/73/1068017973.db2.gz JTNTXTSXWONKGY-UHFFFAOYSA-N 1 2 453.587 3.087 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001303504738 1068037836 /nfs/dbraw/zinc/03/78/36/1068037836.db2.gz VVGKGTDVRVXCMQ-AVRDEDQJSA-N 1 2 489.583 3.208 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001303504738 1068037849 /nfs/dbraw/zinc/03/78/49/1068037849.db2.gz VVGKGTDVRVXCMQ-AVRDEDQJSA-N 1 2 489.583 3.208 20 0 JGADLO C[C@@H]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001305000670 1068043679 /nfs/dbraw/zinc/04/36/79/1068043679.db2.gz NSVONXOMGZGQDL-SJORKVTESA-N 1 2 465.440 3.251 20 0 JGADLO CN(Cc1nnc2n1CCC[C@@H]2C(F)(F)F)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001303524518 1068054778 /nfs/dbraw/zinc/05/47/78/1068054778.db2.gz HCHUKFZQDFNEKC-WMZOPIPTSA-N 1 2 453.534 3.466 20 0 JGADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCOC(F)F)CC1 ZINC001305017927 1068062458 /nfs/dbraw/zinc/06/24/58/1068062458.db2.gz QTLWQYMKLBQKQA-LJQANCHMSA-N 1 2 476.572 3.097 20 0 JGADLO CC(C)OCCCCn1c(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001303544870 1068072744 /nfs/dbraw/zinc/07/27/44/1068072744.db2.gz OVFFLHSZTQYJNJ-QFIPXVFZSA-N 1 2 464.699 3.012 20 0 JGADLO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303587198 1068108616 /nfs/dbraw/zinc/10/86/16/1068108616.db2.gz NMRDPSYYHIVXBT-IFXJQAMLSA-N 1 2 455.513 3.214 20 0 JGADLO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303588878 1068109720 /nfs/dbraw/zinc/10/97/20/1068109720.db2.gz DUUHCPBSOOIYOA-INIZCTEOSA-N 1 2 469.540 3.385 20 0 JGADLO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303600204 1068127901 /nfs/dbraw/zinc/12/79/01/1068127901.db2.gz HQNVQTMUQYDDSS-INDDNBPWSA-N 1 2 478.626 3.123 20 0 JGADLO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001303601718 1068131466 /nfs/dbraw/zinc/13/14/66/1068131466.db2.gz KUPVASARQOSZRX-CVCYQNGTSA-N 1 2 459.660 3.375 20 0 JGADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305064253 1068134950 /nfs/dbraw/zinc/13/49/50/1068134950.db2.gz AMGJUHJQUMMZRF-PMACEKPBSA-N 1 2 497.669 3.278 20 0 JGADLO CC(C)NC(=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305066008 1068138035 /nfs/dbraw/zinc/13/80/35/1068138035.db2.gz KKKMNZNCCOJRDD-RTBURBONSA-N 1 2 471.675 3.426 20 0 JGADLO CC1CCN(c2ccc(Cn3c(CC(C)(C)C)nnc3N3CC[C@H](S(C)(=O)=O)C3)c[nH+]2)CC1 ZINC001305066009 1068138076 /nfs/dbraw/zinc/13/80/76/1068138076.db2.gz KMDODFFIVHTQSN-FQEVSTJZSA-N 1 2 474.675 3.170 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCC(OC(C)C)CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305067400 1068140216 /nfs/dbraw/zinc/14/02/16/1068140216.db2.gz SSKSBFLRGGEGGK-UHFFFAOYSA-N 1 2 483.661 3.490 20 0 JGADLO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@H]2C)[C@H]1C ZINC001305091497 1068160212 /nfs/dbraw/zinc/16/02/12/1068160212.db2.gz JZIYFSFOYOUYNJ-AQNXPRMDSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@H]2C)[C@H]1C ZINC001305091497 1068160218 /nfs/dbraw/zinc/16/02/18/1068160218.db2.gz JZIYFSFOYOUYNJ-AQNXPRMDSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001305106681 1068174741 /nfs/dbraw/zinc/17/47/41/1068174741.db2.gz HHPMHCWKZVDEIN-QRQLOZEOSA-N 1 2 455.607 3.404 20 0 JGADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001303651225 1068180547 /nfs/dbraw/zinc/18/05/47/1068180547.db2.gz WVEHAKKJXSOCCO-AZUAARDMSA-N 1 2 455.607 3.044 20 0 JGADLO C[C@@H]1CN(c2ccc(Cn3c(N4CCC(O)(C(F)(F)F)CC4)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001305120179 1068201661 /nfs/dbraw/zinc/20/16/61/1068201661.db2.gz CHPRORZUNLMGIB-MRXNPFEDSA-N 1 2 482.551 3.138 20 0 JGADLO C[C@@H]1CN(c2ccc(Cn3c([C@@H]4CCCCO4)nnc3N(C)CCC(F)F)c[nH+]2)CCO1 ZINC001305121309 1068204129 /nfs/dbraw/zinc/20/41/29/1068204129.db2.gz IFNSONBQDMVPGE-AEFFLSMTSA-N 1 2 450.534 3.280 20 0 JGADLO CC(C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305123777 1068208712 /nfs/dbraw/zinc/20/87/12/1068208712.db2.gz ZBCVHEVIZHCBAV-KRWDZBQOSA-N 1 2 499.557 3.092 20 0 JGADLO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305126336 1068212935 /nfs/dbraw/zinc/21/29/35/1068212935.db2.gz CJDYMSDEYUOFPL-UYAOXDASSA-N 1 2 499.660 3.205 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H](C)Oc1ccccc1F ZINC001303690309 1068230322 /nfs/dbraw/zinc/23/03/22/1068230322.db2.gz YNWUFYFQRNBMKO-FGZHOGPDSA-N 1 2 488.652 3.239 20 0 JGADLO C[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001305142500 1068239509 /nfs/dbraw/zinc/23/95/09/1068239509.db2.gz OBBLLNOSQLQNHS-HNNXBMFYSA-N 1 2 457.376 3.442 20 0 JGADLO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@H]1C)[NH+]1CCOCC1 ZINC001303724202 1068275425 /nfs/dbraw/zinc/27/54/25/1068275425.db2.gz JNOCCWJSRGNOMN-WOJBJXKFSA-N 1 2 458.626 3.442 20 0 JGADLO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1)[NH+]1CCOCC1 ZINC001303724800 1068276859 /nfs/dbraw/zinc/27/68/59/1068276859.db2.gz QADQKRUXSZUAKN-HSZRJFAPSA-N 1 2 496.700 3.259 20 0 JGADLO C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCNc2cccc[nH+]2)CCN1CC(F)(F)F ZINC001305177907 1068292134 /nfs/dbraw/zinc/29/21/34/1068292134.db2.gz GPLXIGFYSDHKTO-MSOLQXFVSA-N 1 2 467.540 3.490 20 0 JGADLO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303735788 1068293487 /nfs/dbraw/zinc/29/34/87/1068293487.db2.gz DPXBRYVYZUOENB-WIYYLYMNSA-N 1 2 478.037 3.483 20 0 JGADLO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC(C)(C)C1 ZINC001305179374 1068294864 /nfs/dbraw/zinc/29/48/64/1068294864.db2.gz AMDBHGOGNKYBBK-FBBABVLZSA-N 1 2 477.650 3.495 20 0 JGADLO CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC001303749288 1068309827 /nfs/dbraw/zinc/30/98/27/1068309827.db2.gz NAZQGZNUFYYLEY-PXDATVDWSA-N 1 2 452.555 3.301 20 0 JGADLO C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001305204988 1068329944 /nfs/dbraw/zinc/32/99/44/1068329944.db2.gz FCQJPBSTNFDXAI-FGTMMUONSA-N 1 2 478.435 3.433 20 0 JGADLO C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001305204988 1068329948 /nfs/dbraw/zinc/32/99/48/1068329948.db2.gz FCQJPBSTNFDXAI-FGTMMUONSA-N 1 2 478.435 3.433 20 0 JGADLO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CCS1 ZINC001305211138 1068341038 /nfs/dbraw/zinc/34/10/38/1068341038.db2.gz DQISYRBBZRSYEU-IAGOWNOFSA-N 1 2 452.024 3.173 20 0 JGADLO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@H]2C)CCS1 ZINC001305211138 1068341057 /nfs/dbraw/zinc/34/10/57/1068341057.db2.gz DQISYRBBZRSYEU-IAGOWNOFSA-N 1 2 452.024 3.173 20 0 JGADLO C[C@H](N1CCN(c2nnc(Cc3ccccn3)n2CCCNc2cccc[nH+]2)CC1)C(F)(F)F ZINC001303792417 1068376032 /nfs/dbraw/zinc/37/60/32/1068376032.db2.gz GNVLQDZJTXHRCB-SFHVURJKSA-N 1 2 474.535 3.234 20 0 JGADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001305234417 1068383183 /nfs/dbraw/zinc/38/31/83/1068383183.db2.gz PUPLBPWVTSNMCX-INIZCTEOSA-N 1 2 462.545 3.010 20 0 JGADLO C[C@H]1COCC[N@H+]1CCn1c(C2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001305234417 1068383194 /nfs/dbraw/zinc/38/31/94/1068383194.db2.gz PUPLBPWVTSNMCX-INIZCTEOSA-N 1 2 462.545 3.010 20 0 JGADLO C[C@H](Cn1c(C2CC2)nnc1N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303797867 1068388856 /nfs/dbraw/zinc/38/88/56/1068388856.db2.gz LONCPSBXKNYXOV-HBFSDRIKSA-N 1 2 462.639 3.006 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1CCc1cn2ccccc2[nH+]1 ZINC001303809214 1068416108 /nfs/dbraw/zinc/41/61/08/1068416108.db2.gz HAORBPQNNVGXMF-INIZCTEOSA-N 1 2 488.017 3.069 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2Cl)n1CCc1cn2ccccc2[nH+]1 ZINC001303809215 1068416139 /nfs/dbraw/zinc/41/61/39/1068416139.db2.gz HAORBPQNNVGXMF-MRXNPFEDSA-N 1 2 488.017 3.069 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001303815106 1068427021 /nfs/dbraw/zinc/42/70/21/1068427021.db2.gz HCPVENZCTKBSPO-KRWDZBQOSA-N 1 2 489.621 3.278 20 0 JGADLO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001305265127 1068444156 /nfs/dbraw/zinc/44/41/56/1068444156.db2.gz GPSPLVQINFOSGY-MDNUFGMLSA-N 1 2 468.646 3.036 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001303828821 1068450434 /nfs/dbraw/zinc/45/04/34/1068450434.db2.gz OWTPMMYLXHONMC-SJLPKXTDSA-N 1 2 489.621 3.134 20 0 JGADLO CCC(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001305277122 1068478949 /nfs/dbraw/zinc/47/89/49/1068478949.db2.gz HVABXIDOTORWTP-INIZCTEOSA-N 1 2 460.026 3.219 20 0 JGADLO CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001305280516 1068483439 /nfs/dbraw/zinc/48/34/39/1068483439.db2.gz XTFRNIWNOIOTKZ-SFHVURJKSA-N 1 2 454.619 3.179 20 0 JGADLO CC[C@@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001305294503 1068500396 /nfs/dbraw/zinc/50/03/96/1068500396.db2.gz BTHBHJPUEYMIDP-JOCHJYFZSA-N 1 2 489.418 3.487 20 0 JGADLO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC(F)(F)F ZINC001303896917 1068536860 /nfs/dbraw/zinc/53/68/60/1068536860.db2.gz DLYNDGRAGLZRSY-IAGOWNOFSA-N 1 2 498.525 3.252 20 0 JGADLO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001305320897 1068538695 /nfs/dbraw/zinc/53/86/95/1068538695.db2.gz KAVMUSGHWGQYQD-UQBPGWFLSA-N 1 2 489.064 3.140 20 0 JGADLO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCCCCO ZINC001303898412 1068540634 /nfs/dbraw/zinc/54/06/34/1068540634.db2.gz OXZFAAZTFYFBTD-IBGZPJMESA-N 1 2 454.550 3.441 20 0 JGADLO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001305326420 1068548558 /nfs/dbraw/zinc/54/85/58/1068548558.db2.gz MAAPGDUYANDBBT-HXOBKFHXSA-N 1 2 455.632 3.224 20 0 JGADLO CC[C@H](C)[C@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001305326709 1068549254 /nfs/dbraw/zinc/54/92/54/1068549254.db2.gz KARVGHXLMKQYEO-UQBPGWFLSA-N 1 2 468.602 3.166 20 0 JGADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001303913922 1068563570 /nfs/dbraw/zinc/56/35/70/1068563570.db2.gz WFFCIJHCJWJMHQ-RXVVDRJESA-N 1 2 494.061 3.347 20 0 JGADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001303913922 1068563585 /nfs/dbraw/zinc/56/35/85/1068563585.db2.gz WFFCIJHCJWJMHQ-RXVVDRJESA-N 1 2 494.061 3.347 20 0 JGADLO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001305334958 1068565629 /nfs/dbraw/zinc/56/56/29/1068565629.db2.gz JRRAQWNQEZPXJG-SBUREZEXSA-N 1 2 455.632 3.153 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303931812 1068589733 /nfs/dbraw/zinc/58/97/33/1068589733.db2.gz JYIBSKGYHQQODV-KRWDZBQOSA-N 1 2 489.546 3.454 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCCNc1cccc[nH+]1 ZINC001303931979 1068590424 /nfs/dbraw/zinc/59/04/24/1068590424.db2.gz MMSCGQWVDJSNAS-QZTJIDSGSA-N 1 2 467.549 3.121 20 0 JGADLO CC[C@H](C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1)OC ZINC001305351316 1068595296 /nfs/dbraw/zinc/59/52/96/1068595296.db2.gz IYVHVUPZOMAJNM-FJIJXJHWSA-N 1 2 469.678 3.314 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)[C@@H](C)CS(=O)(=O)CC)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001305372010 1068626381 /nfs/dbraw/zinc/62/63/81/1068626381.db2.gz YCUQJWBIAZGYQD-MOPGFXCFSA-N 1 2 462.664 3.485 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001305449961 1068684896 /nfs/dbraw/zinc/68/48/96/1068684896.db2.gz PAQWVKASCROHKL-CTNGQTDRSA-N 1 2 499.660 3.423 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305464640 1068708428 /nfs/dbraw/zinc/70/84/28/1068708428.db2.gz WMFAFKVQSCIPSQ-IRXDYDNUSA-N 1 2 464.014 3.004 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001305485792 1068722219 /nfs/dbraw/zinc/72/22/19/1068722219.db2.gz ABAKEMOHXVYUEV-IPMKNSEASA-N 1 2 451.637 3.481 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305485505 1068722387 /nfs/dbraw/zinc/72/23/87/1068722387.db2.gz JQNSNCFHKHYOFO-SLFFLAALSA-N 1 2 497.692 3.423 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305485505 1068722400 /nfs/dbraw/zinc/72/24/00/1068722400.db2.gz JQNSNCFHKHYOFO-SLFFLAALSA-N 1 2 497.692 3.423 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001305494001 1068731749 /nfs/dbraw/zinc/73/17/49/1068731749.db2.gz XYQWIRSGSIEBPY-ABSDTBQOSA-N 1 2 498.644 3.138 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305503776 1068738479 /nfs/dbraw/zinc/73/84/79/1068738479.db2.gz PIGABYLTUCSLAU-QPPBQGQZSA-N 1 2 468.646 3.232 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305503777 1068738628 /nfs/dbraw/zinc/73/86/28/1068738628.db2.gz PIGABYLTUCSLAU-URXFXBBRSA-N 1 2 468.646 3.232 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305503778 1068739022 /nfs/dbraw/zinc/73/90/22/1068739022.db2.gz PIGABYLTUCSLAU-XUZZJYLKSA-N 1 2 468.646 3.232 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305505463 1068740905 /nfs/dbraw/zinc/74/09/05/1068740905.db2.gz YQWZYBUXTSRHGI-OAQYLSRUSA-N 1 2 499.660 3.376 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCc1ccccc1F ZINC001305519064 1068769134 /nfs/dbraw/zinc/76/91/34/1068769134.db2.gz PDVBGVXNALGNJO-WOJBJXKFSA-N 1 2 456.610 3.306 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCc1ccccc1F ZINC001305519061 1068769277 /nfs/dbraw/zinc/76/92/77/1068769277.db2.gz PDVBGVXNALGNJO-PMACEKPBSA-N 1 2 456.610 3.306 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001305520373 1068772517 /nfs/dbraw/zinc/77/25/17/1068772517.db2.gz WTFMHSHHYCULHJ-RBUKOAKNSA-N 1 2 472.609 3.121 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001305534272 1068793647 /nfs/dbraw/zinc/79/36/47/1068793647.db2.gz RBPRHQYPXTXXOT-GYCJOSAFSA-N 1 2 453.591 3.334 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCOCc1ccc(OC)cc1 ZINC001305534751 1068794605 /nfs/dbraw/zinc/79/46/05/1068794605.db2.gz SLCCFKAYHUBNNJ-LJQANCHMSA-N 1 2 465.602 3.442 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCc1nc(C)c(C)s1 ZINC001305544326 1068819800 /nfs/dbraw/zinc/81/98/00/1068819800.db2.gz OSSPCRJUFWNYLZ-KNQAVFIVSA-N 1 2 489.734 3.339 20 0 JGADLO CC[C@H](C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001305592306 1068859316 /nfs/dbraw/zinc/85/93/16/1068859316.db2.gz HWGLGVMGNSVBDP-YADARESESA-N 1 2 487.674 3.006 20 0 JGADLO CC[C@@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305597566 1068861839 /nfs/dbraw/zinc/86/18/39/1068861839.db2.gz FPEUXIOKQXKLQZ-RTBURBONSA-N 1 2 452.607 3.219 20 0 JGADLO CC[C@@H](C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001305639043 1068953219 /nfs/dbraw/zinc/95/32/19/1068953219.db2.gz RCHRBJAFKBTFOH-QUCCMNQESA-N 1 2 475.037 3.062 20 0 JGADLO CC[C@H](c1nnc(N(C)Cc2scnc2C)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305652248 1068990683 /nfs/dbraw/zinc/99/06/83/1068990683.db2.gz ITBYRQFJUGUISQ-QFIPXVFZSA-N 1 2 481.670 3.385 20 0 JGADLO CC[C@@H](c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1c[nH+]ccc1OC)c1ccccc1 ZINC001305655801 1068994613 /nfs/dbraw/zinc/99/46/13/1068994613.db2.gz OOLSYWDOKHEKAY-JOCHJYFZSA-N 1 2 498.653 3.132 20 0 JGADLO CC[C@H](c1nnc(N(C)CCS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)[nH+]c21)c1ccccc1 ZINC001305656347 1068995065 /nfs/dbraw/zinc/99/50/65/1068995065.db2.gz CWXLBFGHQVWXDJ-RTWAWAEBSA-N 1 2 470.643 3.383 20 0 JGADLO CC[C@@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1CCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001305657601 1068996462 /nfs/dbraw/zinc/99/64/62/1068996462.db2.gz JRMUDQRLMMCHMY-OAQYLSRUSA-N 1 2 472.634 3.113 20 0 JGADLO CC[C@H](c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@](C)(O)CCOC)c1ccccc1 ZINC001305676422 1069030348 /nfs/dbraw/zinc/03/03/48/1069030348.db2.gz SJYQCBWDYBUDGA-NVQXNPDNSA-N 1 2 479.629 3.033 20 0 JGADLO CC[C@@H](c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCCC(=O)N(C)C)c1ccccc1 ZINC001305677804 1069033918 /nfs/dbraw/zinc/03/39/18/1069033918.db2.gz ZUUJIXSDISJYBO-JOCHJYFZSA-N 1 2 476.629 3.113 20 0 JGADLO CC[C@@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305683235 1069042343 /nfs/dbraw/zinc/04/23/43/1069042343.db2.gz VCRNXHPWOSSSLW-DNQXCXABSA-N 1 2 482.673 3.235 20 0 JGADLO CC[C@@H](c1nnc(N2CCO[C@@H](COC(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC001305684828 1069045474 /nfs/dbraw/zinc/04/54/74/1069045474.db2.gz VNZWFQZXQAQAHH-QPTUXGOLSA-N 1 2 471.646 3.171 20 0 JGADLO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)OC ZINC001305690502 1069057071 /nfs/dbraw/zinc/05/70/71/1069057071.db2.gz JKFLBWVRGZUSQY-HXUWFJFHSA-N 1 2 471.650 3.001 20 0 JGADLO COc1ccc(C(=O)Nc2ccc(C(=O)N[C@H]3CCOC[C@H]3Nc3cc[nH+]c(C)n3)s2)cc1 ZINC001305693800 1069064622 /nfs/dbraw/zinc/06/46/22/1069064622.db2.gz SDSXRQCPHMRFMP-ZWKOTPCHSA-N 1 2 467.551 3.107 20 0 JGADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)c2cc(Br)cc(Br)c2)cc[nH+]1 ZINC001305699450 1069078074 /nfs/dbraw/zinc/07/80/74/1069078074.db2.gz SSMRMHRGDXZOAW-LSDHHAIUSA-N 1 2 470.165 3.309 20 0 JGADLO CCC(CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC1)[NH+]1CCOCC1 ZINC001305702619 1069085455 /nfs/dbraw/zinc/08/54/55/1069085455.db2.gz DDNGMXACEIQIMO-QFIPXVFZSA-N 1 2 475.659 3.086 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001305731734 1069151808 /nfs/dbraw/zinc/15/18/08/1069151808.db2.gz PUFLJTVEEFQIBP-UHFFFAOYSA-N 1 2 482.551 3.032 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001305739143 1069166424 /nfs/dbraw/zinc/16/64/24/1069166424.db2.gz FOHQLYOTBFVOLL-ROUUACIJSA-N 1 2 457.623 3.283 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@H]32)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305740116 1069169901 /nfs/dbraw/zinc/16/99/01/1069169901.db2.gz GVNIRMWQEPCOKD-TZIWHRDSSA-N 1 2 460.667 3.466 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@@H]2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305744223 1069183304 /nfs/dbraw/zinc/18/33/04/1069183304.db2.gz QRZFJNVBZBGBDI-SFHVURJKSA-N 1 2 454.619 3.389 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305747468 1069191093 /nfs/dbraw/zinc/19/10/93/1069191093.db2.gz HNTAHYGYXCTCBZ-ZCNNSNEGSA-N 1 2 483.661 3.347 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCCc1cccc(C)[nH+]1 ZINC001305757620 1069214848 /nfs/dbraw/zinc/21/48/48/1069214848.db2.gz BBNIXQCXJUTJTG-UHFFFAOYSA-N 1 2 482.551 3.426 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1ccc([C@H](C)O)cc1 ZINC001305759458 1069221516 /nfs/dbraw/zinc/22/15/16/1069221516.db2.gz NIRJZBAQSXAECT-SFHVURJKSA-N 1 2 491.640 3.322 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCc3sccc3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305760740 1069226182 /nfs/dbraw/zinc/22/61/82/1069226182.db2.gz YJTVOFPTBCKBPM-UHFFFAOYSA-N 1 2 453.616 3.330 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(F)cc3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305762444 1069230085 /nfs/dbraw/zinc/23/00/85/1069230085.db2.gz QWDPSTUISBYODQ-UHFFFAOYSA-N 1 2 465.577 3.408 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001305783703 1069278259 /nfs/dbraw/zinc/27/82/59/1069278259.db2.gz GHKXSXXLEVOVGW-UHFFFAOYSA-N 1 2 491.640 3.194 20 0 JGADLO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)c(S(=O)(=O)CC)c3)CC2)CC1 ZINC001164617638 719035855 /nfs/dbraw/zinc/03/58/55/719035855.db2.gz OLBSMQHGRFQNKK-UHFFFAOYSA-N 1 2 494.004 3.317 20 0 JGADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3cccc(Cl)c3)CC2)C1=O ZINC001164644695 719284973 /nfs/dbraw/zinc/28/49/73/719284973.db2.gz QQSDUPGNTTXPNM-UHFFFAOYSA-N 1 2 480.396 3.335 20 0 JGADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3cccc(Cl)c3)CC2)C1=O ZINC001164644695 719284977 /nfs/dbraw/zinc/28/49/77/719284977.db2.gz QQSDUPGNTTXPNM-UHFFFAOYSA-N 1 2 480.396 3.335 20 0 JGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@H]5[C@H](OCc6ccncc6)CC[C@@H]54)c3C2)cc1 ZINC001164645108 719292494 /nfs/dbraw/zinc/29/24/94/719292494.db2.gz CBUBQKNXECEDCN-NXCFDTQHSA-N 1 2 457.578 3.383 20 0 JGADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@H]5[C@H](OCc6ccncc6)CC[C@@H]54)c3C2)cc1 ZINC001164645108 719292496 /nfs/dbraw/zinc/29/24/96/719292496.db2.gz CBUBQKNXECEDCN-NXCFDTQHSA-N 1 2 457.578 3.383 20 0 JGADLO Cc1noc([C@@H]2C[C@H]3CCN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3O2)n1 ZINC001164647887 719299782 /nfs/dbraw/zinc/29/97/82/719299782.db2.gz FFRGZOQWPRRWNG-NHTMILBNSA-N 1 2 488.592 3.088 20 0 JGADLO Cc1noc([C@@H]2C[C@@H]3CCN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001164647890 719299852 /nfs/dbraw/zinc/29/98/52/719299852.db2.gz FFRGZOQWPRRWNG-OEMFJLHTSA-N 1 2 488.592 3.088 20 0 JGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCCn5nnc(COc6cccnc6)c5C4)c3C2)cc1 ZINC001164653368 719327493 /nfs/dbraw/zinc/32/74/93/719327493.db2.gz HZLSBNWZHKYMNR-UHFFFAOYSA-N 1 2 468.565 3.011 20 0 JGADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCCn5nnc(COc6cccnc6)c5C4)c3C2)cc1 ZINC001164653368 719327496 /nfs/dbraw/zinc/32/74/96/719327496.db2.gz HZLSBNWZHKYMNR-UHFFFAOYSA-N 1 2 468.565 3.011 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3cc(C(=O)OC)n(C)c3n1)CC2 ZINC001164658046 719353297 /nfs/dbraw/zinc/35/32/97/719353297.db2.gz CCRSCRKBZQQXNJ-UHFFFAOYSA-N 1 2 485.592 3.450 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3cc(C(=O)OC)n(C)c3n1)CC2 ZINC001164658046 719353299 /nfs/dbraw/zinc/35/32/99/719353299.db2.gz CCRSCRKBZQQXNJ-UHFFFAOYSA-N 1 2 485.592 3.450 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)N(C)OC)ccn1)CC2 ZINC001164658026 719354245 /nfs/dbraw/zinc/35/42/45/719354245.db2.gz BHCXQJMNUNMMAJ-UHFFFAOYSA-N 1 2 460.582 3.410 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)N(C)OC)ccn1)CC2 ZINC001164658026 719354246 /nfs/dbraw/zinc/35/42/46/719354246.db2.gz BHCXQJMNUNMMAJ-UHFFFAOYSA-N 1 2 460.582 3.410 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)NC3CC3)nn1)CC2 ZINC001164660745 719354669 /nfs/dbraw/zinc/35/46/69/719354669.db2.gz YLFWEQAPKUGQCA-UHFFFAOYSA-N 1 2 457.582 3.064 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)NC3CC3)nn1)CC2 ZINC001164660745 719354674 /nfs/dbraw/zinc/35/46/74/719354674.db2.gz YLFWEQAPKUGQCA-UHFFFAOYSA-N 1 2 457.582 3.064 20 0 JGADLO COC(=O)c1ccc2cnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2c1 ZINC001164673071 719496920 /nfs/dbraw/zinc/49/69/20/719496920.db2.gz MYFRDKJCJRXNAD-UHFFFAOYSA-N 1 2 450.514 3.427 20 0 JGADLO COC(=O)c1ccc2cnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2c1 ZINC001164673071 719496930 /nfs/dbraw/zinc/49/69/30/719496930.db2.gz MYFRDKJCJRXNAD-UHFFFAOYSA-N 1 2 450.514 3.427 20 0 JGADLO O=S(=O)(c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1)N1CCCCC1 ZINC001164673343 719520718 /nfs/dbraw/zinc/52/07/18/719520718.db2.gz PFFUTEMZRDUPSH-UHFFFAOYSA-N 1 2 488.629 3.267 20 0 JGADLO O=S(=O)(c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1)N1CCCCC1 ZINC001164673343 719520729 /nfs/dbraw/zinc/52/07/29/719520729.db2.gz PFFUTEMZRDUPSH-UHFFFAOYSA-N 1 2 488.629 3.267 20 0 JGADLO CCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1C(=O)OCC ZINC001164677093 719533174 /nfs/dbraw/zinc/53/31/74/719533174.db2.gz BWKNYDSXEVRTFL-UHFFFAOYSA-N 1 2 485.556 3.446 20 0 JGADLO CCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1C(=O)OCC ZINC001164677093 719533179 /nfs/dbraw/zinc/53/31/79/719533179.db2.gz BWKNYDSXEVRTFL-UHFFFAOYSA-N 1 2 485.556 3.446 20 0 JGADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164679385 719533607 /nfs/dbraw/zinc/53/36/07/719533607.db2.gz ZKBXJMPREHNOCT-MRXNPFEDSA-N 1 2 462.953 3.417 20 0 JGADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164679385 719533615 /nfs/dbraw/zinc/53/36/15/719533615.db2.gz ZKBXJMPREHNOCT-MRXNPFEDSA-N 1 2 462.953 3.417 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2ncnc(Cl)c2c1 ZINC001164706629 719849764 /nfs/dbraw/zinc/84/97/64/719849764.db2.gz YAGPZHXVOZVNBE-MGPUTAFESA-N 1 2 454.905 3.061 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)cnc2c1 ZINC001164701863 719851661 /nfs/dbraw/zinc/85/16/61/719851661.db2.gz LGJVMBVJUQOYAQ-FOIQADDNSA-N 1 2 454.905 3.061 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)Nc2ccc(Cl)nc2)ccc1F ZINC001164701433 719854528 /nfs/dbraw/zinc/85/45/28/719854528.db2.gz KMUQVTAKMARRPW-UUOWRZLLSA-N 1 2 490.963 3.359 20 0 JGADLO COC(=O)c1ccc(-c2ccc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nc2C)cc1 ZINC001164699925 719866197 /nfs/dbraw/zinc/86/61/97/719866197.db2.gz CWONFYPSHULMMI-RLWLMLJZSA-N 1 2 467.566 3.076 20 0 JGADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164703766 719867461 /nfs/dbraw/zinc/86/74/61/719867461.db2.gz KKQODBCSIYURBO-UPCLLVRISA-N 1 2 475.973 3.298 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(F)cc1 ZINC001164706518 719869809 /nfs/dbraw/zinc/86/98/09/719869809.db2.gz PRYAWJXRKJDYKQ-ZHRRBRCNSA-N 1 2 464.925 3.294 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(-c3cccs3)no2)ccn1 ZINC001164699985 719873804 /nfs/dbraw/zinc/87/38/04/719873804.db2.gz DEQIDDFTOCYWAZ-UZUQRXQVSA-N 1 2 469.567 3.093 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(C)c1 ZINC001164696669 719878051 /nfs/dbraw/zinc/87/80/51/719878051.db2.gz ANINVYGXJXYBGT-HXOBKFHXSA-N 1 2 460.962 3.463 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(C)cc1 ZINC001164704239 719878062 /nfs/dbraw/zinc/87/80/62/719878062.db2.gz UPHJLIYILPDONV-GAJHUEQPSA-N 1 2 460.962 3.463 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1C ZINC001164703486 719878357 /nfs/dbraw/zinc/87/83/57/719878357.db2.gz SPRUBKGNCVPNJA-GAJHUEQPSA-N 1 2 460.962 3.463 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1C ZINC001164703492 719878396 /nfs/dbraw/zinc/87/83/96/719878396.db2.gz SPRUBKGNCVPNJA-HXOBKFHXSA-N 1 2 460.962 3.463 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1OC ZINC001164697055 719878738 /nfs/dbraw/zinc/87/87/38/719878738.db2.gz BKNJBBSTMJNJHB-MWTRTKDXSA-N 1 2 476.961 3.164 20 0 JGADLO Cc1ccc(-c2csc3ncnc(N4CCc5c(C(=O)N6CC[NH+](C)CC6)nn(C)c5C4)c23)cc1 ZINC001164709503 719905467 /nfs/dbraw/zinc/90/54/67/719905467.db2.gz WZTMFNHQVYRFPS-UHFFFAOYSA-N 1 2 487.633 3.351 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3ccccc3)cc(Cl)n1)CC2 ZINC001164709359 719906413 /nfs/dbraw/zinc/90/64/13/719906413.db2.gz ULQVIZIISUZORE-UHFFFAOYSA-N 1 2 450.974 3.086 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3scc(-c4ccccc4)c31)CC2 ZINC001164702393 720047939 /nfs/dbraw/zinc/04/79/39/720047939.db2.gz FRPPFIWTAURXIH-UHFFFAOYSA-N 1 2 473.606 3.042 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C2)C1 ZINC001164721272 720280834 /nfs/dbraw/zinc/28/08/34/720280834.db2.gz IUZWODQMAMTVHG-KRWDZBQOSA-N 1 2 471.763 3.252 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C2)C1 ZINC001164721272 720280835 /nfs/dbraw/zinc/28/08/35/720280835.db2.gz IUZWODQMAMTVHG-KRWDZBQOSA-N 1 2 471.763 3.252 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C2)C1 ZINC001164722842 720303171 /nfs/dbraw/zinc/30/31/71/720303171.db2.gz MBYVWCVKAVGCEO-QHCPKHFHSA-N 1 2 494.970 3.492 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C2)C1 ZINC001164722842 720303181 /nfs/dbraw/zinc/30/31/81/720303181.db2.gz MBYVWCVKAVGCEO-QHCPKHFHSA-N 1 2 494.970 3.492 20 0 JGADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCc2c([nH+]cn2C(C)C)[C@@H]1CNC(C)=O ZINC001164722292 720313845 /nfs/dbraw/zinc/31/38/45/720313845.db2.gz JZAJEFFDSJCTAI-HNNXBMFYSA-N 1 2 455.893 3.084 20 0 JGADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)c1 ZINC001164721917 720315067 /nfs/dbraw/zinc/31/50/67/720315067.db2.gz IWSUTJNIKQYPLG-OAHLLOKOSA-N 1 2 455.893 3.084 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncccc4C(=O)NC4CCCCC4)CC3)C2=O)cs1 ZINC001164823244 720359554 /nfs/dbraw/zinc/35/95/54/720359554.db2.gz CQHGWCVUKXFOPG-UHFFFAOYSA-N 1 2 496.681 3.222 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncccc4C(=O)NC4CCCCC4)CC3)C2=O)cs1 ZINC001164823244 720359558 /nfs/dbraw/zinc/35/95/58/720359558.db2.gz CQHGWCVUKXFOPG-UHFFFAOYSA-N 1 2 496.681 3.222 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(OCc5ccccc5)n4)CC3)C2=O)cs1 ZINC001164824869 720363131 /nfs/dbraw/zinc/36/31/31/720363131.db2.gz OYRQYFBEDVYZIW-UHFFFAOYSA-N 1 2 478.622 3.134 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(OCc5ccccc5)n4)CC3)C2=O)cs1 ZINC001164824869 720363140 /nfs/dbraw/zinc/36/31/40/720363140.db2.gz OYRQYFBEDVYZIW-UHFFFAOYSA-N 1 2 478.622 3.134 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)nc5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164825647 720365157 /nfs/dbraw/zinc/36/51/57/720365157.db2.gz SGYMNYYEJANHQP-UHFFFAOYSA-N 1 2 454.575 3.155 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)nc5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164825647 720365163 /nfs/dbraw/zinc/36/51/63/720365163.db2.gz SGYMNYYEJANHQP-UHFFFAOYSA-N 1 2 454.575 3.155 20 0 JGADLO CSc1nc2ccsc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164826650 720368317 /nfs/dbraw/zinc/36/83/17/720368317.db2.gz YGHMRCOPJLADLK-UHFFFAOYSA-N 1 2 474.681 3.491 20 0 JGADLO CSc1nc2ccsc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164826650 720368328 /nfs/dbraw/zinc/36/83/28/720368328.db2.gz YGHMRCOPJLADLK-UHFFFAOYSA-N 1 2 474.681 3.491 20 0 JGADLO COc1cc2nc(C)nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2cc1OC ZINC001164820231 720369913 /nfs/dbraw/zinc/36/99/13/720369913.db2.gz MQNGNTXMJIAQTK-UHFFFAOYSA-N 1 2 496.637 3.034 20 0 JGADLO COc1cc2nc(C)nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2cc1OC ZINC001164820231 720369922 /nfs/dbraw/zinc/36/99/22/720369922.db2.gz MQNGNTXMJIAQTK-UHFFFAOYSA-N 1 2 496.637 3.034 20 0 JGADLO COc1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nc(C)c2c1 ZINC001164820769 720372652 /nfs/dbraw/zinc/37/26/52/720372652.db2.gz UKPWHALHTMZWEO-UHFFFAOYSA-N 1 2 466.611 3.025 20 0 JGADLO COc1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nc(C)c2c1 ZINC001164820769 720372658 /nfs/dbraw/zinc/37/26/58/720372658.db2.gz UKPWHALHTMZWEO-UHFFFAOYSA-N 1 2 466.611 3.025 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5sc6c(c54)CCC6)CC3)C2=O)cs1 ZINC001164820928 720378660 /nfs/dbraw/zinc/37/86/60/720378660.db2.gz USQLUYNXKLNZBG-UHFFFAOYSA-N 1 2 468.652 3.258 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5sc6c(c54)CCC6)CC3)C2=O)cs1 ZINC001164820928 720378669 /nfs/dbraw/zinc/37/86/69/720378669.db2.gz USQLUYNXKLNZBG-UHFFFAOYSA-N 1 2 468.652 3.258 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-c5nc(C(C)C)no5)ccn4)CC3)C2=O)cs1 ZINC001164821476 720382495 /nfs/dbraw/zinc/38/24/95/720382495.db2.gz GVOASJYJVASQQI-UHFFFAOYSA-N 1 2 481.626 3.333 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-c5nc(C(C)C)no5)ccn4)CC3)C2=O)cs1 ZINC001164821476 720382504 /nfs/dbraw/zinc/38/25/04/720382504.db2.gz GVOASJYJVASQQI-UHFFFAOYSA-N 1 2 481.626 3.333 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(COC5CCC5)cn4)CC3)C2=O)cs1 ZINC001164825820 720383008 /nfs/dbraw/zinc/38/30/08/720383008.db2.gz VLVVRTWXLDYVRW-UHFFFAOYSA-N 1 2 455.628 3.229 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(COC5CCC5)cn4)CC3)C2=O)cs1 ZINC001164825820 720383014 /nfs/dbraw/zinc/38/30/14/720383014.db2.gz VLVVRTWXLDYVRW-UHFFFAOYSA-N 1 2 455.628 3.229 20 0 JGADLO COC(=O)c1cccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)ccc21 ZINC001164821849 720383357 /nfs/dbraw/zinc/38/33/57/720383357.db2.gz JNVUYKLMJMEMPD-UHFFFAOYSA-N 1 2 479.606 3.100 20 0 JGADLO COC(=O)c1cccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)ccc21 ZINC001164821849 720383365 /nfs/dbraw/zinc/38/33/65/720383365.db2.gz JNVUYKLMJMEMPD-UHFFFAOYSA-N 1 2 479.606 3.100 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc(-c5ccncc5)n4)CC3)C2=O)cs1 ZINC001164825053 720384349 /nfs/dbraw/zinc/38/43/49/720384349.db2.gz TYWYJDYXCLCPIQ-UHFFFAOYSA-N 1 2 484.029 3.270 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc(-c5ccncc5)n4)CC3)C2=O)cs1 ZINC001164825053 720384353 /nfs/dbraw/zinc/38/43/53/720384353.db2.gz TYWYJDYXCLCPIQ-UHFFFAOYSA-N 1 2 484.029 3.270 20 0 JGADLO COc1cc(C)c2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2c1 ZINC001164820455 720385638 /nfs/dbraw/zinc/38/56/38/720385638.db2.gz BQIAXBKTVZYKSI-UHFFFAOYSA-N 1 2 466.611 3.025 20 0 JGADLO COc1cc(C)c2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2c1 ZINC001164820455 720385642 /nfs/dbraw/zinc/38/56/42/720385642.db2.gz BQIAXBKTVZYKSI-UHFFFAOYSA-N 1 2 466.611 3.025 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5[nH]c6cc(F)ccc6c54)CC3)C2=O)cs1 ZINC001164821491 720386165 /nfs/dbraw/zinc/38/61/65/720386165.db2.gz HBQVQTSTHGKXDS-UHFFFAOYSA-N 1 2 479.585 3.328 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5[nH]c6cc(F)ccc6c54)CC3)C2=O)cs1 ZINC001164821491 720386169 /nfs/dbraw/zinc/38/61/69/720386169.db2.gz HBQVQTSTHGKXDS-UHFFFAOYSA-N 1 2 479.585 3.328 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc3cc(F)ccc31)C2 ZINC001164829114 720428529 /nfs/dbraw/zinc/42/85/29/720428529.db2.gz ZZTRGTPRTUSATP-QGZVFWFLSA-N 1 2 459.953 3.213 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc3c(Cl)ncnc3c1)C2 ZINC001164825558 720438343 /nfs/dbraw/zinc/43/83/43/720438343.db2.gz SDCAFTYGGSDZKD-MRXNPFEDSA-N 1 2 492.958 3.014 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1c(Cl)cc(Cl)nc1Cl)C2 ZINC001164822445 720440811 /nfs/dbraw/zinc/44/08/11/720440811.db2.gz FEZRCYAJNGFMKU-CYBMUJFWSA-N 1 2 460.793 3.228 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3ccc(Cl)cc3nc1Cl)C2 ZINC001164821975 720444231 /nfs/dbraw/zinc/44/42/31/720444231.db2.gz BNSLEHWGFJWZRY-OAHLLOKOSA-N 1 2 477.396 3.123 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc3nc(Cl)cnc3cc1Cl)C2 ZINC001164826454 720447722 /nfs/dbraw/zinc/44/77/22/720447722.db2.gz WVPADEHJTSXLOW-OAHLLOKOSA-N 1 2 477.396 3.123 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3cc(Cl)ccc31)C2 ZINC001164822448 720452125 /nfs/dbraw/zinc/45/21/25/720452125.db2.gz FFSQFKJHFQWPNX-OAHLLOKOSA-N 1 2 477.396 3.123 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730198 720458003 /nfs/dbraw/zinc/45/80/03/720458003.db2.gz IOGLCQKWNQZCPG-LEWJYISDSA-N 1 2 453.543 3.270 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730198 720458004 /nfs/dbraw/zinc/45/80/04/720458004.db2.gz IOGLCQKWNQZCPG-LEWJYISDSA-N 1 2 453.543 3.270 20 0 JGADLO Cc1csc2c1nc(Cl)cc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164829726 720463888 /nfs/dbraw/zinc/46/38/88/720463888.db2.gz GVMAQIPJDUNYBQ-INIZCTEOSA-N 1 2 462.019 3.444 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3c(Cl)cccc3nc1Cl)C2 ZINC001164831903 720479489 /nfs/dbraw/zinc/47/94/89/720479489.db2.gz HZQBCQAHRCFPNA-HNNXBMFYSA-N 1 2 477.396 3.123 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc3cccc(F)c31)C2 ZINC001164834052 720483706 /nfs/dbraw/zinc/48/37/06/720483706.db2.gz QXSXFYUTINYQGE-QGZVFWFLSA-N 1 2 459.953 3.213 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)C2 ZINC001164835150 720484400 /nfs/dbraw/zinc/48/44/00/720484400.db2.gz XJOIKNYAZMNXMR-QGZVFWFLSA-N 1 2 481.975 3.041 20 0 JGADLO O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164726320 720499009 /nfs/dbraw/zinc/49/90/09/720499009.db2.gz LGTYJEAYJDMRLX-IGKIAQTJSA-N 1 2 470.577 3.054 20 0 JGADLO O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164726320 720499010 /nfs/dbraw/zinc/49/90/10/720499010.db2.gz LGTYJEAYJDMRLX-IGKIAQTJSA-N 1 2 470.577 3.054 20 0 JGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001164855810 720896801 /nfs/dbraw/zinc/89/68/01/720896801.db2.gz CFEYWPLMSUULPH-UHFFFAOYSA-N 1 2 457.268 3.025 20 0 JGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cccc3c(Cl)ncnc31)C2 ZINC001164860812 720896833 /nfs/dbraw/zinc/89/68/33/720896833.db2.gz UZLFRVCIQSZXKL-UHFFFAOYSA-N 1 2 457.872 3.040 20 0 JGADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c1 ZINC001164767079 721274143 /nfs/dbraw/zinc/27/41/43/721274143.db2.gz FKYYNNJHQGSBGU-CQSZACIVSA-N 1 2 463.872 3.373 20 0 JGADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766327 721275674 /nfs/dbraw/zinc/27/56/74/721275674.db2.gz DGEASIHMVLCNRZ-AWEZNQCLSA-N 1 2 463.872 3.373 20 0 JGADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)Nc2cccc(F)c2)[C@@H]2CCCO[C@@H]12 ZINC001164800042 721584302 /nfs/dbraw/zinc/58/43/02/721584302.db2.gz BHYJAJXYSIRKNK-CQOQZXRMSA-N 1 2 497.596 3.285 20 0 JGADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)Nc2cccc(F)c2)[C@@H]2CCCO[C@@H]12 ZINC001164800042 721584305 /nfs/dbraw/zinc/58/43/05/721584305.db2.gz BHYJAJXYSIRKNK-CQOQZXRMSA-N 1 2 497.596 3.285 20 0 JGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)NCCSCc1ccco1)C2 ZINC001165008530 721708667 /nfs/dbraw/zinc/70/86/67/721708667.db2.gz GJGCRWQMAJHORX-UHFFFAOYSA-N 1 2 483.642 3.180 20 0 JGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)NCCSCc1ccco1)C2 ZINC001165008530 721708683 /nfs/dbraw/zinc/70/86/83/721708683.db2.gz GJGCRWQMAJHORX-UHFFFAOYSA-N 1 2 483.642 3.180 20 0 JGADLO CCOC(=O)c1ccc(C(F)(F)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c(Cl)n1 ZINC001165008638 721710817 /nfs/dbraw/zinc/71/08/17/721710817.db2.gz JYSQDYZPTLOHPP-UHFFFAOYSA-N 1 2 456.925 3.299 20 0 JGADLO CCOC(=O)c1ccc(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c(Cl)n1 ZINC001165008638 721710819 /nfs/dbraw/zinc/71/08/19/721710819.db2.gz JYSQDYZPTLOHPP-UHFFFAOYSA-N 1 2 456.925 3.299 20 0 JGADLO CS(=O)(=O)c1ccc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904305 721721498 /nfs/dbraw/zinc/72/14/98/721721498.db2.gz BMVPGTLYCFIJGV-LJQANCHMSA-N 1 2 456.946 3.271 20 0 JGADLO CS(=O)(=O)c1ccc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904305 721721501 /nfs/dbraw/zinc/72/15/01/721721501.db2.gz BMVPGTLYCFIJGV-LJQANCHMSA-N 1 2 456.946 3.271 20 0 JGADLO CC(C)C(=O)N1CCC[C@]12CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001165008442 721725697 /nfs/dbraw/zinc/72/56/97/721725697.db2.gz OFFREXXROAKFQY-MUUNZHRXSA-N 1 2 475.637 3.267 20 0 JGADLO c1cnn(CCCO[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC001165018084 721779488 /nfs/dbraw/zinc/77/94/88/721779488.db2.gz IJQIAMIOVSAURM-NXCFDTQHSA-N 1 2 474.609 3.075 20 0 JGADLO c1cnn(CCCO[C@@H]2CC[C@H]3[C@@H]2OCCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC001165018084 721779489 /nfs/dbraw/zinc/77/94/89/721779489.db2.gz IJQIAMIOVSAURM-NXCFDTQHSA-N 1 2 474.609 3.075 20 0 JGADLO Clc1ccccc1-c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164917752 721788375 /nfs/dbraw/zinc/78/83/75/721788375.db2.gz YZFRIHGNKHGXNA-XMMPIXPASA-N 1 2 451.958 3.300 20 0 JGADLO Clc1ccccc1-c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164917752 721788380 /nfs/dbraw/zinc/78/83/80/721788380.db2.gz YZFRIHGNKHGXNA-XMMPIXPASA-N 1 2 451.958 3.300 20 0 JGADLO O=C(Nc1cccc(Cl)c1)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913426 721794638 /nfs/dbraw/zinc/79/46/38/721794638.db2.gz CXKACUGWIYDFQH-AREMUKBSSA-N 1 2 493.995 3.490 20 0 JGADLO O=C(Nc1cccc(Cl)c1)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913426 721794640 /nfs/dbraw/zinc/79/46/40/721794640.db2.gz CXKACUGWIYDFQH-AREMUKBSSA-N 1 2 493.995 3.490 20 0 JGADLO Cc1ccc(-c2nc3c(ncnc3N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)o2)cc1 ZINC001164913776 721795344 /nfs/dbraw/zinc/79/53/44/721795344.db2.gz HHWDWMFPCSGPQG-SANMLTNESA-N 1 2 472.549 3.096 20 0 JGADLO Cc1ccc(-c2nc3c(ncnc3N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)o2)cc1 ZINC001164913776 721795347 /nfs/dbraw/zinc/79/53/47/721795347.db2.gz HHWDWMFPCSGPQG-SANMLTNESA-N 1 2 472.549 3.096 20 0 JGADLO c1csc(-c2noc(-c3ccnc(N4CCO[C@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)c3)n2)c1 ZINC001164915337 721797719 /nfs/dbraw/zinc/79/77/19/721797719.db2.gz WKGJZWZHQGORJJ-RUZDIDTESA-N 1 2 490.589 3.363 20 0 JGADLO c1csc(-c2noc(-c3ccnc(N4CCO[C@]5(C4)COCC[N@H+](Cc4cccnc4)C5)c3)n2)c1 ZINC001164915337 721797722 /nfs/dbraw/zinc/79/77/22/721797722.db2.gz WKGJZWZHQGORJJ-RUZDIDTESA-N 1 2 490.589 3.363 20 0 JGADLO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914274 721801601 /nfs/dbraw/zinc/80/16/01/721801601.db2.gz LCAOJUQLVRDFRG-QFIPXVFZSA-N 1 2 464.944 3.271 20 0 JGADLO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914274 721801605 /nfs/dbraw/zinc/80/16/05/721801605.db2.gz LCAOJUQLVRDFRG-QFIPXVFZSA-N 1 2 464.944 3.271 20 0 JGADLO O=C(c1cccnc1N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164915084 721806547 /nfs/dbraw/zinc/80/65/47/721806547.db2.gz HUWSMQTYKMZPDX-IRPSRAIASA-N 1 2 499.615 3.251 20 0 JGADLO O=C(c1cccnc1N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164915086 721806672 /nfs/dbraw/zinc/80/66/72/721806672.db2.gz HUWSMQTYKMZPDX-VAVYLYDRSA-N 1 2 499.615 3.251 20 0 JGADLO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164918817 721817769 /nfs/dbraw/zinc/81/77/69/721817769.db2.gz VGIFYBYNJJDLKQ-CSKARUKUSA-N 1 2 480.613 3.198 20 0 JGADLO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164921719 721835303 /nfs/dbraw/zinc/83/53/03/721835303.db2.gz FJJFTPNPMRIENI-AJTFRIOCSA-N 1 2 471.609 3.089 20 0 JGADLO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164921719 721835304 /nfs/dbraw/zinc/83/53/04/721835304.db2.gz FJJFTPNPMRIENI-AJTFRIOCSA-N 1 2 471.609 3.089 20 0 JGADLO CCOC(=O)c1cc2c(N3C[C@H]4OCC[N@H+](Cc5c(C)noc5C)[C@@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164946470 721949764 /nfs/dbraw/zinc/94/97/64/721949764.db2.gz VTSHISJFPNWRPH-NHCUHLMSSA-N 1 2 453.543 3.051 20 0 JGADLO CCOC(=O)c1cc2c(N3C[C@H]4OCC[N@@H+](Cc5c(C)noc5C)[C@@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164946470 721949766 /nfs/dbraw/zinc/94/97/66/721949766.db2.gz VTSHISJFPNWRPH-NHCUHLMSSA-N 1 2 453.543 3.051 20 0 JGADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945680 721972903 /nfs/dbraw/zinc/97/29/03/721972903.db2.gz QHEMAMRVKVCIRJ-UHFFFAOYSA-N 1 2 491.617 3.353 20 0 JGADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945680 721972904 /nfs/dbraw/zinc/97/29/04/721972904.db2.gz QHEMAMRVKVCIRJ-UHFFFAOYSA-N 1 2 491.617 3.353 20 0 JGADLO CCOC(Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1)OCC ZINC001164947736 721974469 /nfs/dbraw/zinc/97/44/69/721974469.db2.gz RSVNWOGZSOVJPH-UHFFFAOYSA-N 1 2 488.032 3.043 20 0 JGADLO CCOC(Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1)OCC ZINC001164947736 721974471 /nfs/dbraw/zinc/97/44/71/721974471.db2.gz RSVNWOGZSOVJPH-UHFFFAOYSA-N 1 2 488.032 3.043 20 0 JGADLO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164948386 721975284 /nfs/dbraw/zinc/97/52/84/721975284.db2.gz YJVXEDCVODROPD-UHFFFAOYSA-N 1 2 470.017 3.234 20 0 JGADLO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164948386 721975286 /nfs/dbraw/zinc/97/52/86/721975286.db2.gz YJVXEDCVODROPD-UHFFFAOYSA-N 1 2 470.017 3.234 20 0 JGADLO CC(C)(C)OC(=O)Nc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164945968 721977367 /nfs/dbraw/zinc/97/73/67/721977367.db2.gz HPHZHJCXURKGLE-UHFFFAOYSA-N 1 2 451.571 3.400 20 0 JGADLO CC(C)(C)OC(=O)Nc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164945968 721977369 /nfs/dbraw/zinc/97/73/69/721977369.db2.gz HPHZHJCXURKGLE-UHFFFAOYSA-N 1 2 451.571 3.400 20 0 JGADLO O=C(c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)c1)N1CCCCC1 ZINC001164950421 721978727 /nfs/dbraw/zinc/97/87/27/721978727.db2.gz TYJVFHZQJLIWBF-UHFFFAOYSA-N 1 2 482.028 3.332 20 0 JGADLO O=C(c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)c1)N1CCCCC1 ZINC001164950421 721978730 /nfs/dbraw/zinc/97/87/30/721978730.db2.gz TYJVFHZQJLIWBF-UHFFFAOYSA-N 1 2 482.028 3.332 20 0 JGADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4COC[C@]4(COC)C3)c2c1C ZINC001164950562 721994940 /nfs/dbraw/zinc/99/49/40/721994940.db2.gz JOVVQCGCRJXVRY-BXKMTCNYSA-N 1 2 474.627 3.262 20 0 JGADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC001165055021 722016076 /nfs/dbraw/zinc/01/60/76/722016076.db2.gz AEUWPIDYKGAASF-UHFFFAOYSA-N 1 2 467.595 3.041 20 0 JGADLO O=C(NC1CCC1)[C@@H]1C[C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001164976636 722085330 /nfs/dbraw/zinc/08/53/30/722085330.db2.gz VZOKPALUHANRGK-BKFWDETESA-N 1 2 487.648 3.171 20 0 JGADLO CCOC(=O)c1cc2cc[nH+]c(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)c2[nH]1 ZINC001164987192 722180288 /nfs/dbraw/zinc/18/02/88/722180288.db2.gz HGVFZSHIKFLECF-PMACEKPBSA-N 1 2 455.584 3.374 20 0 JGADLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C ZINC001298241029 1064147304 /nfs/dbraw/zinc/14/73/04/1064147304.db2.gz YAXVUTZXBDJAQP-MJGOQNOKSA-N 1 2 474.675 3.062 20 0 JGADLO CN(CC1CC(F)C1)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298488715 1064277241 /nfs/dbraw/zinc/27/72/41/1064277241.db2.gz FAXYQQJOKHNCSX-UHFFFAOYSA-N 1 2 462.589 3.207 20 0 JGADLO CN(CC1CC(F)C1)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298488715 1064277256 /nfs/dbraw/zinc/27/72/56/1064277256.db2.gz FAXYQQJOKHNCSX-UHFFFAOYSA-N 1 2 462.589 3.207 20 0 JGADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc([C@H]3CCCO3)n1CCCN(C)C(=O)OC(C)(C)C)C2 ZINC001298681619 1064472822 /nfs/dbraw/zinc/47/28/22/1064472822.db2.gz QDIDGGJGCABEEB-HXUWFJFHSA-N 1 2 485.633 3.410 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)cc2)n1Cc1nccn1C(F)F ZINC001298732590 1064547334 /nfs/dbraw/zinc/54/73/34/1064547334.db2.gz BAUHKUGBJUNJKK-UHFFFAOYSA-N 1 2 496.360 3.116 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1Cc1ccnc(OC(F)F)c1 ZINC001298733365 1064548298 /nfs/dbraw/zinc/54/82/98/1064548298.db2.gz ONZSZRQLZGYQBR-UHFFFAOYSA-N 1 2 478.931 3.412 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC=CO1 ZINC001298733726 1064549215 /nfs/dbraw/zinc/54/92/15/1064549215.db2.gz RMJXOVRAQQLQSO-IBGZPJMESA-N 1 2 462.392 3.169 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(F)ccc2Br)n1CCOC(C)(C)C ZINC001298734135 1064549665 /nfs/dbraw/zinc/54/96/65/1064549665.db2.gz YYZURJULAYQVNO-UHFFFAOYSA-N 1 2 484.414 3.430 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(F)(F)F)c1 ZINC001298737879 1064552916 /nfs/dbraw/zinc/55/29/16/1064552916.db2.gz FQCOETYJTKNRJJ-UHFFFAOYSA-N 1 2 490.530 3.022 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@H]1CCCCO1 ZINC001298740881 1064556223 /nfs/dbraw/zinc/55/62/23/1064556223.db2.gz XDJNSMXJGSCUGC-RTWAWAEBSA-N 1 2 492.665 3.078 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CC2CCCC2)n1Cc1ccc(OC(C)(C)C)nc1 ZINC001298740899 1064556281 /nfs/dbraw/zinc/55/62/81/1064556281.db2.gz XLMHIGUAEQMOFR-UHFFFAOYSA-N 1 2 456.635 3.400 20 0 JGADLO CN(CCS(C)(=O)=O)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001298779150 1064584188 /nfs/dbraw/zinc/58/41/88/1064584188.db2.gz XUVYWLAIZTVTFS-FQEVSTJZSA-N 1 2 472.640 3.272 20 0 JGADLO CN(CCS(C)(=O)=O)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001298779152 1064584356 /nfs/dbraw/zinc/58/43/56/1064584356.db2.gz XUVYWLAIZTVTFS-HXUWFJFHSA-N 1 2 472.640 3.272 20 0 JGADLO CC[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CC[NH+]([C@@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)cc2C1 ZINC001298909688 1064712068 /nfs/dbraw/zinc/71/20/68/1064712068.db2.gz SHRSIDKWXFXNMJ-IEBWSBKVSA-N 1 2 458.603 3.069 20 0 JGADLO CC[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CC[NH+]([C@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)cc2C1 ZINC001298909690 1064712085 /nfs/dbraw/zinc/71/20/85/1064712085.db2.gz SHRSIDKWXFXNMJ-MJGOQNOKSA-N 1 2 458.603 3.069 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001298952906 1064744042 /nfs/dbraw/zinc/74/40/42/1064744042.db2.gz HDIPPCGRFFKNCC-ICSRJNTNSA-N 1 2 479.629 3.363 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001298965003 1064752550 /nfs/dbraw/zinc/75/25/50/1064752550.db2.gz LXYSLZUJTUBGTO-IRXDYDNUSA-N 1 2 481.670 3.459 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001298966533 1064756349 /nfs/dbraw/zinc/75/63/49/1064756349.db2.gz MOEUAJMLHHACJV-RDTXWAMCSA-N 1 2 491.974 3.393 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccccc2OC)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001298969917 1064760823 /nfs/dbraw/zinc/76/08/23/1064760823.db2.gz MTEASNJMOPEFGR-LJQANCHMSA-N 1 2 477.613 3.206 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(CC2CCCC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001298991616 1064774495 /nfs/dbraw/zinc/77/44/95/1064774495.db2.gz BUAOLSASUTUJIJ-XUZZJYLKSA-N 1 2 482.673 3.211 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001299002392 1064781724 /nfs/dbraw/zinc/78/17/24/1064781724.db2.gz XGVULEWNSJBOIY-IJXRJRJASA-N 1 2 471.650 3.098 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001299003284 1064782724 /nfs/dbraw/zinc/78/27/24/1064782724.db2.gz RYBKMROSRJOWJI-UEVCKROQSA-N 1 2 493.656 3.308 20 0 JGADLO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCNc2cccc[nH+]2)C1 ZINC001299034676 1064824236 /nfs/dbraw/zinc/82/42/36/1064824236.db2.gz YDZDQVLJOBPCTA-AREMUKBSSA-N 1 2 477.613 3.334 20 0 JGADLO COc1cc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[NH+]2CCOCC2)ccc1SC ZINC001299876017 1065095126 /nfs/dbraw/zinc/09/51/26/1065095126.db2.gz AUKJJOIYYWBWIT-HXUWFJFHSA-N 1 2 499.685 3.227 20 0 JGADLO COc1cc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cscc3C)CC2)cc(OC)c1 ZINC001299893595 1065123436 /nfs/dbraw/zinc/12/34/36/1065123436.db2.gz WNRHMOQBXHEIAM-UHFFFAOYSA-N 1 2 498.653 3.174 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@@H](C)SC ZINC001299909279 1065157400 /nfs/dbraw/zinc/15/74/00/1065157400.db2.gz SOSABMULWMCLEF-CVEARBPZSA-N 1 2 493.077 3.148 20 0 JGADLO COc1cc(N2CCN(c3nnc(C(C)C)n3Cc3ccc(N(C)C)[nH+]c3)CC2)ccc1F ZINC001299922330 1065176154 /nfs/dbraw/zinc/17/61/54/1065176154.db2.gz OOYGTFSZDWDSII-UHFFFAOYSA-N 1 2 453.566 3.385 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N(C)CC(F)(F)F)n2Cc2ccc[nH+]c2N2CCOCC2)c1 ZINC001299930182 1065192951 /nfs/dbraw/zinc/19/29/51/1065192951.db2.gz KBNFJCCGPYXSNY-UHFFFAOYSA-N 1 2 492.502 3.241 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CC[S@@](=O)C(C)(C)C)c1 ZINC001299949501 1065223842 /nfs/dbraw/zinc/22/38/42/1065223842.db2.gz DZWGUKABIUQDNH-PGUFJCEWSA-N 1 2 498.653 3.231 20 0 JGADLO COc1ccc(C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)CC[NH+]2CCOCC2)cc1OC ZINC001299978583 1065275570 /nfs/dbraw/zinc/27/55/70/1065275570.db2.gz GAMHNWYDFZIZII-UHFFFAOYSA-N 1 2 480.613 3.104 20 0 JGADLO Cc1ccc(CNC(=O)C2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC001492206044 1065320788 /nfs/dbraw/zinc/32/07/88/1065320788.db2.gz SWQRDZODLJDUSB-NRFANRHFSA-N 1 2 482.673 3.138 20 0 JGADLO Cc1ccc(CNC(=O)C2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC001492206044 1065320797 /nfs/dbraw/zinc/32/07/97/1065320797.db2.gz SWQRDZODLJDUSB-NRFANRHFSA-N 1 2 482.673 3.138 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001492253328 1065353238 /nfs/dbraw/zinc/35/32/38/1065353238.db2.gz DUNYPWOXVJSVHG-GOSISDBHSA-N 1 2 454.619 3.494 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001492253328 1065353246 /nfs/dbraw/zinc/35/32/46/1065353246.db2.gz DUNYPWOXVJSVHG-GOSISDBHSA-N 1 2 454.619 3.494 20 0 JGADLO Cc1nc(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)CC[NH+]2CCOCC2)sc1C ZINC001492329069 1065398936 /nfs/dbraw/zinc/39/89/36/1065398936.db2.gz FIVVNWRBKCZXFL-UHFFFAOYSA-N 1 2 470.643 3.364 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@H+]2CCOC[C@@H]2C)cc1C ZINC001492332359 1065402750 /nfs/dbraw/zinc/40/27/50/1065402750.db2.gz YFDHERZFTSQWIZ-JTHBVZDNSA-N 1 2 457.619 3.200 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1C ZINC001492332359 1065402755 /nfs/dbraw/zinc/40/27/55/1065402755.db2.gz YFDHERZFTSQWIZ-JTHBVZDNSA-N 1 2 457.619 3.200 20 0 JGADLO CO[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)CC1(C)C ZINC001300845560 1065587432 /nfs/dbraw/zinc/58/74/32/1065587432.db2.gz UVRMGKGWSJMWDB-IRLDBZIGSA-N 1 2 457.619 3.056 20 0 JGADLO CO[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@H]2C)CC1(C)C ZINC001300845560 1065587442 /nfs/dbraw/zinc/58/74/42/1065587442.db2.gz UVRMGKGWSJMWDB-IRLDBZIGSA-N 1 2 457.619 3.056 20 0 JGADLO CO[C@@H]1COCC[C@@H]1Cn1c(C(C)C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001300852028 1065597018 /nfs/dbraw/zinc/59/70/18/1065597018.db2.gz BRMWFSQSQHQGHZ-VAMGGRTRSA-N 1 2 463.648 3.024 20 0 JGADLO COCC(=O)NC1CCN(c2nnc(-c3ccccc3Cl)n2CCCNc2cccc[nH+]2)CC1 ZINC001300903444 1065701397 /nfs/dbraw/zinc/70/13/97/1065701397.db2.gz JJMCCJBCMUKVEP-UHFFFAOYSA-N 1 2 484.004 3.227 20 0 JGADLO COCC(C)(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001300946559 1065749819 /nfs/dbraw/zinc/74/98/19/1065749819.db2.gz JLUIWNNVUFCNEQ-UHFFFAOYSA-N 1 2 450.587 3.294 20 0 JGADLO COC[C@@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC[NH+]1CCOCC1 ZINC001300959267 1065766716 /nfs/dbraw/zinc/76/67/16/1065766716.db2.gz SUCXPBOITIBFQH-HNNXBMFYSA-N 1 2 486.842 3.412 20 0 JGADLO COC[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001300962895 1065771295 /nfs/dbraw/zinc/77/12/95/1065771295.db2.gz XJHXGFNJZRJGDE-UXHICEINSA-N 1 2 489.064 3.404 20 0 JGADLO COC[C@@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001300987383 1065800325 /nfs/dbraw/zinc/80/03/25/1065800325.db2.gz NDCQZFWKZFPFEP-KRWDZBQOSA-N 1 2 471.993 3.218 20 0 JGADLO C[C@H](C(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001301077999 1065927950 /nfs/dbraw/zinc/92/79/50/1065927950.db2.gz JBNFFQIEXNCHHR-ZHRRBRCNSA-N 1 2 453.480 3.379 20 0 JGADLO COC[C@H](F)Cn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001301083562 1065934892 /nfs/dbraw/zinc/93/48/92/1065934892.db2.gz PVTWGUQWRICHNJ-LJQANCHMSA-N 1 2 474.606 3.237 20 0 JGADLO COC[C@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNc2cccc[nH+]2)C1 ZINC001301238245 1066055837 /nfs/dbraw/zinc/05/58/37/1066055837.db2.gz PHEPVNSCYDGPRQ-FQEVSTJZSA-N 1 2 498.653 3.499 20 0 JGADLO COC[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2Cc2c[nH+]ccc2OC)C1 ZINC001301260443 1066075029 /nfs/dbraw/zinc/07/50/29/1066075029.db2.gz ACHYIAKYFYCVSG-HNNXBMFYSA-N 1 2 475.391 3.361 20 0 JGADLO COC[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001301264044 1066079274 /nfs/dbraw/zinc/07/92/74/1066079274.db2.gz FGBBCJXOQWHSLJ-NQIIRXRSSA-N 1 2 487.626 3.107 20 0 JGADLO COC[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001301264045 1066079469 /nfs/dbraw/zinc/07/94/69/1066079469.db2.gz FGBBCJXOQWHSLJ-RXVVDRJESA-N 1 2 487.626 3.107 20 0 JGADLO COC[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301283553 1066091604 /nfs/dbraw/zinc/09/16/04/1066091604.db2.gz PKOLQJQLWSNIHK-HSZRJFAPSA-N 1 2 484.689 3.363 20 0 JGADLO COC[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301283553 1066091614 /nfs/dbraw/zinc/09/16/14/1066091614.db2.gz PKOLQJQLWSNIHK-HSZRJFAPSA-N 1 2 484.689 3.363 20 0 JGADLO COC[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001301297424 1066102982 /nfs/dbraw/zinc/10/29/82/1066102982.db2.gz NXSZYCVTNPTKKH-RBUKOAKNSA-N 1 2 461.582 3.141 20 0 JGADLO COC[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001301297424 1066102985 /nfs/dbraw/zinc/10/29/85/1066102985.db2.gz NXSZYCVTNPTKKH-RBUKOAKNSA-N 1 2 461.582 3.141 20 0 JGADLO Cc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)c1 ZINC001301339711 1066129569 /nfs/dbraw/zinc/12/95/69/1066129569.db2.gz DASJZRAHHLUBPV-OAQYLSRUSA-N 1 2 454.596 3.114 20 0 JGADLO Cc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)c1 ZINC001301339710 1066129600 /nfs/dbraw/zinc/12/96/00/1066129600.db2.gz DASJZRAHHLUBPV-NRFANRHFSA-N 1 2 454.596 3.114 20 0 JGADLO COC[C@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001301356687 1066145812 /nfs/dbraw/zinc/14/58/12/1066145812.db2.gz GIPNAAUTKBYKOU-HSZRJFAPSA-N 1 2 467.570 3.150 20 0 JGADLO COCCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001301427867 1066224977 /nfs/dbraw/zinc/22/49/77/1066224977.db2.gz STLVIXBFJGCKDO-LJQANCHMSA-N 1 2 462.664 3.322 20 0 JGADLO COCC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001301454273 1066271063 /nfs/dbraw/zinc/27/10/63/1066271063.db2.gz YZELFHBGNOHOAQ-HSZRJFAPSA-N 1 2 458.994 3.036 20 0 JGADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001301991802 1066312677 /nfs/dbraw/zinc/31/26/77/1066312677.db2.gz YCVIVXXEZBKJHW-MOPGFXCFSA-N 1 2 483.642 3.032 20 0 JGADLO C[C@H]([C@H](C)N(C)c1nnc(-c2ccccc2F)n1CCc1cn2ccccc2[nH+]1)S(C)(=O)=O ZINC001301992249 1066314895 /nfs/dbraw/zinc/31/48/95/1066314895.db2.gz ZDWRSFPUVPOMRL-DLBZAZTESA-N 1 2 470.574 3.232 20 0 JGADLO COCCC1(Cn2c(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)CCC1 ZINC001301493603 1066318473 /nfs/dbraw/zinc/31/84/73/1066318473.db2.gz OCXPNXJYBDMIRW-QFIPXVFZSA-N 1 2 476.710 3.014 20 0 JGADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001301994125 1066319058 /nfs/dbraw/zinc/31/90/58/1066319058.db2.gz YPVAEOQPRJCCAS-DYXWJJEUSA-N 1 2 490.674 3.211 20 0 JGADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001301994131 1066319745 /nfs/dbraw/zinc/31/97/45/1066319745.db2.gz YPVAEOQPRJCCAS-SVFBPWRDSA-N 1 2 490.674 3.211 20 0 JGADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001301994391 1066320162 /nfs/dbraw/zinc/32/01/62/1066320162.db2.gz COKFQPZQKIRURB-QZTJIDSGSA-N 1 2 462.664 3.168 20 0 JGADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001302004890 1066342074 /nfs/dbraw/zinc/34/20/74/1066342074.db2.gz XKLLVWQBJKUPDT-RTBURBONSA-N 1 2 474.675 3.312 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC(C(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302011862 1066355857 /nfs/dbraw/zinc/35/58/57/1066355857.db2.gz XCCBUIWLRSDQDG-RDPSFJRHSA-N 1 2 481.707 3.082 20 0 JGADLO CC(C)(C)c1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCCNc2cccc[nH+]2)cc1 ZINC001302032716 1066400533 /nfs/dbraw/zinc/40/05/33/1066400533.db2.gz UHYIONRXARGPLN-UHFFFAOYSA-N 1 2 497.669 3.221 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1ccc(Cl)nc1 ZINC001302040611 1066414261 /nfs/dbraw/zinc/41/42/61/1066414261.db2.gz CLTNGNZAZMTNAR-INIZCTEOSA-N 1 2 471.993 3.123 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1cc(F)ccc1F ZINC001302041706 1066417140 /nfs/dbraw/zinc/41/71/40/1066417140.db2.gz ILXJLSFONQDYBM-MRXNPFEDSA-N 1 2 472.540 3.352 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302044024 1066424548 /nfs/dbraw/zinc/42/45/48/1066424548.db2.gz RNARSEAXVYRSAI-RCCFBDPRSA-N 1 2 479.572 3.125 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC=C(c3ccccc3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302047982 1066431591 /nfs/dbraw/zinc/43/15/91/1066431591.db2.gz PQOGMTVRFHYAQR-NRFANRHFSA-N 1 2 469.630 3.407 20 0 JGADLO CC(=O)N(C)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001301639864 1066503991 /nfs/dbraw/zinc/50/39/91/1066503991.db2.gz ILIUGQZOZMNPQW-UHFFFAOYSA-N 1 2 465.577 3.352 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1cc(Cl)ccc1OC ZINC001302084438 1066507978 /nfs/dbraw/zinc/50/79/78/1066507978.db2.gz LXPVJYONUHNQJT-SFHVURJKSA-N 1 2 487.004 3.434 20 0 JGADLO O=C(c1ccc(N2CCCS2(=O)=O)cc1Cl)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001301660873 1066531134 /nfs/dbraw/zinc/53/11/34/1066531134.db2.gz HQJBQTIEFBVMED-LJQANCHMSA-N 1 2 454.379 3.320 20 0 JGADLO COCCOc1ccc(Cn2c(C(C)C)nnc2N2CC[NH+](Cc3cc(C)no3)CC2)cc1 ZINC001302130592 1066574799 /nfs/dbraw/zinc/57/47/99/1066574799.db2.gz QONOVBOBHDTLKH-UHFFFAOYSA-N 1 2 454.575 3.094 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001301763355 1066703225 /nfs/dbraw/zinc/70/32/25/1066703225.db2.gz FIXINMMMRPTRRT-IFMALSPDSA-N 1 2 498.672 3.203 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Br)s3)nnc2N(C)CCC(F)F)CC1 ZINC001301763749 1066704394 /nfs/dbraw/zinc/70/43/94/1066704394.db2.gz JARJIEBBDDZRMD-UHFFFAOYSA-N 1 2 491.406 3.025 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC3CCCC3)nnc2N(C)[C@@H](C)c2cccc(O)c2)CC1 ZINC001301769969 1066713695 /nfs/dbraw/zinc/71/36/95/1066713695.db2.gz HJYIZHZWBZWQAT-IBGZPJMESA-N 1 2 454.619 3.078 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(F)cc3)nnc2N(Cc2ccco2)C(C)C)CC1 ZINC001301771013 1066714194 /nfs/dbraw/zinc/71/41/94/1066714194.db2.gz RYLFBGOYZSYNOY-UHFFFAOYSA-N 1 2 468.577 3.180 20 0 JGADLO CC(C)(C)NC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001302214242 1066717160 /nfs/dbraw/zinc/71/71/60/1066717160.db2.gz REYVTXQVRIPCCA-UHFFFAOYSA-N 1 2 482.658 3.458 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)cc3)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001301774150 1066719437 /nfs/dbraw/zinc/71/94/37/1066719437.db2.gz AYECARAIYSMDSG-HXUWFJFHSA-N 1 2 497.669 3.026 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccccc2F)CC1 ZINC001301775810 1066721774 /nfs/dbraw/zinc/72/17/74/1066721774.db2.gz SQZKBEOTQZOHAQ-FYYLOGMGSA-N 1 2 486.636 3.136 20 0 JGADLO CC(=O)Nc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CC[NH+]2CCOCC2)cn1 ZINC001301785868 1066734002 /nfs/dbraw/zinc/73/40/02/1066734002.db2.gz HYTAJXPCKSXILQ-UHFFFAOYSA-N 1 2 491.640 3.413 20 0 JGADLO CC(=O)NC1CCC(N(C)c2nnc(C(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001301795199 1066745925 /nfs/dbraw/zinc/74/59/25/1066745925.db2.gz FEXDZMYOMUQNGU-KXTRFFEISA-N 1 2 468.646 3.186 20 0 JGADLO CC(=O)NC1CCC(N(C)c2nnc(C(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001301795199 1066745929 /nfs/dbraw/zinc/74/59/29/1066745929.db2.gz FEXDZMYOMUQNGU-KXTRFFEISA-N 1 2 468.646 3.186 20 0 JGADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001301801588 1066753082 /nfs/dbraw/zinc/75/30/82/1066753082.db2.gz VDRFTLNTNDEIDF-JCMHNJIXSA-N 1 2 459.575 3.117 20 0 JGADLO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCNc2cccc[nH+]2)C1 ZINC001302244299 1066773524 /nfs/dbraw/zinc/77/35/24/1066773524.db2.gz GFABGKGVSKVTQX-OALUTQOASA-N 1 2 471.606 3.173 20 0 JGADLO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCCc2cccc(C)[nH+]2)C1 ZINC001301826875 1066791723 /nfs/dbraw/zinc/79/17/23/1066791723.db2.gz IDSIRACRAUYMSP-QFIPXVFZSA-N 1 2 450.562 3.449 20 0 JGADLO COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001301827788 1066792898 /nfs/dbraw/zinc/79/28/98/1066792898.db2.gz NLMXZUSGFLQRAT-FQEVSTJZSA-N 1 2 468.646 3.022 20 0 JGADLO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCNc2cccc[nH+]2)C1 ZINC001302255465 1066798663 /nfs/dbraw/zinc/79/86/63/1066798663.db2.gz DUJSEGXXZXUMFQ-OALUTQOASA-N 1 2 471.606 3.030 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301859677 1066843785 /nfs/dbraw/zinc/84/37/85/1066843785.db2.gz ZDRRLOTUOKQSIY-LAUBAEHRSA-N 1 2 471.556 3.207 20 0 JGADLO CC(=O)NCC1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001301889740 1066908639 /nfs/dbraw/zinc/90/86/39/1066908639.db2.gz DBMSQIWCRWATKX-UHFFFAOYSA-N 1 2 475.641 3.315 20 0 JGADLO CC(=O)NCC1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001301890821 1066910329 /nfs/dbraw/zinc/91/03/29/1066910329.db2.gz MSYSSMZZXGRKCO-UHFFFAOYSA-N 1 2 491.640 3.336 20 0 JGADLO CC(C)(C)[S@@](=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001302320703 1066918662 /nfs/dbraw/zinc/91/86/62/1066918662.db2.gz HAGASHHYPFNSSJ-HKBQPEDESA-N 1 2 458.657 3.271 20 0 JGADLO CO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001302377702 1066962539 /nfs/dbraw/zinc/96/25/39/1066962539.db2.gz XSYLBLNISUNFGB-CRAIPNDOSA-N 1 2 490.580 3.076 20 0 JGADLO CO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001302377703 1066962590 /nfs/dbraw/zinc/96/25/90/1066962590.db2.gz XSYLBLNISUNFGB-QAPCUYQASA-N 1 2 490.580 3.076 20 0 JGADLO CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001302380021 1066963611 /nfs/dbraw/zinc/96/36/11/1066963611.db2.gz HPRLOUJDMMEXLS-NVXWUHKLSA-N 1 2 470.401 3.110 20 0 JGADLO COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC001301930616 1066968165 /nfs/dbraw/zinc/96/81/65/1066968165.db2.gz MMNMVTCJSCIGNZ-GGAORHGYSA-N 1 2 497.688 3.449 20 0 JGADLO CO[C@H]1CCN(c2nnc(-c3ccccc3Br)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302394714 1066974977 /nfs/dbraw/zinc/97/49/77/1066974977.db2.gz WJFCOWCUMLNPLF-INIZCTEOSA-N 1 2 457.376 3.442 20 0 JGADLO CO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001302401182 1066980827 /nfs/dbraw/zinc/98/08/27/1066980827.db2.gz GPIQUUSAKVEONF-WMZOPIPTSA-N 1 2 452.024 3.170 20 0 JGADLO CO[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001302401182 1066980836 /nfs/dbraw/zinc/98/08/36/1066980836.db2.gz GPIQUUSAKVEONF-WMZOPIPTSA-N 1 2 452.024 3.170 20 0 JGADLO CC(C)C(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001302405368 1066986852 /nfs/dbraw/zinc/98/68/52/1066986852.db2.gz HMZPDXNBPIRBTC-NRFANRHFSA-N 1 2 485.583 3.169 20 0 JGADLO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001301941289 1066988911 /nfs/dbraw/zinc/98/89/11/1066988911.db2.gz HVCPPYNJWOGLBK-IFMALSPDSA-N 1 2 477.613 3.044 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001302408336 1066990761 /nfs/dbraw/zinc/99/07/61/1066990761.db2.gz GEFYFRGFOKSNLJ-GOTSBHOMSA-N 1 2 482.673 3.218 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001302408336 1066990769 /nfs/dbraw/zinc/99/07/69/1066990769.db2.gz GEFYFRGFOKSNLJ-GOTSBHOMSA-N 1 2 482.673 3.218 20 0 JGADLO COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301942843 1066992355 /nfs/dbraw/zinc/99/23/55/1066992355.db2.gz ZNOVSRANTJWXMR-IRLDBZIGSA-N 1 2 491.640 3.130 20 0 JGADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302434241 1067026320 /nfs/dbraw/zinc/02/63/20/1067026320.db2.gz NYCBVSDWGPUGJC-IBGZPJMESA-N 1 2 453.635 3.434 20 0 JGADLO CC(C)(C)OC(=O)NC1(C)CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001303995330 1067037220 /nfs/dbraw/zinc/03/72/20/1067037220.db2.gz CTRAMEMBDDFIJF-LJQANCHMSA-N 1 2 492.665 3.124 20 0 JGADLO CC(C)(C)OC(=O)NC1(C)CCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001303995330 1067037229 /nfs/dbraw/zinc/03/72/29/1067037229.db2.gz CTRAMEMBDDFIJF-LJQANCHMSA-N 1 2 492.665 3.124 20 0 JGADLO CC(C)(C)[S@](=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001303997228 1067039104 /nfs/dbraw/zinc/03/91/04/1067039104.db2.gz KGWVBWNJGGQZGI-JIYROHSKSA-N 1 2 480.078 3.447 20 0 JGADLO CC(C)(C)[S@@](=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001303997232 1067039321 /nfs/dbraw/zinc/03/93/21/1067039321.db2.gz KGWVBWNJGGQZGI-UDNBHOFDSA-N 1 2 480.078 3.447 20 0 JGADLO Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC[N@H+]2CCOC[C@H]2C)c1C ZINC001304011813 1067055405 /nfs/dbraw/zinc/05/54/05/1067055405.db2.gz YSINUGPTMGQKCQ-LJQANCHMSA-N 1 2 454.619 3.348 20 0 JGADLO Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2CC[N@@H+]2CCOC[C@H]2C)c1C ZINC001304011813 1067055419 /nfs/dbraw/zinc/05/54/19/1067055419.db2.gz YSINUGPTMGQKCQ-LJQANCHMSA-N 1 2 454.619 3.348 20 0 JGADLO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCCO2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001302456159 1067057477 /nfs/dbraw/zinc/05/74/77/1067057477.db2.gz RFDLTADOWCBOMB-WOJBJXKFSA-N 1 2 478.588 3.309 20 0 JGADLO CS(=O)(=O)CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001302462480 1067066516 /nfs/dbraw/zinc/06/65/16/1067066516.db2.gz XZZPMKWQFSVCOL-UHFFFAOYSA-N 1 2 484.091 3.191 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(CC(N)=O)CC3)n2CC(C)(C)[NH+]2CCOCC2)c1C ZINC001304023046 1067067841 /nfs/dbraw/zinc/06/78/41/1067067841.db2.gz ZXOXRWFVRXVKIC-NRFANRHFSA-N 1 2 498.672 3.238 20 0 JGADLO CC(C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001302466433 1067070233 /nfs/dbraw/zinc/07/02/33/1067070233.db2.gz IMUQGYMSEJTMDE-SFHVURJKSA-N 1 2 483.567 3.274 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1C ZINC001304031325 1067079957 /nfs/dbraw/zinc/07/99/57/1067079957.db2.gz SQZIVDATJVFAEU-YADHBBJMSA-N 1 2 489.686 3.248 20 0 JGADLO CC(C)[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001302483701 1067082915 /nfs/dbraw/zinc/08/29/15/1067082915.db2.gz GBJPEQUAUHKKTP-YKSBVNFPSA-N 1 2 472.659 3.262 20 0 JGADLO CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)c1 ZINC001304054183 1067095141 /nfs/dbraw/zinc/09/51/41/1067095141.db2.gz IKANDEASQWEELF-UHFFFAOYSA-N 1 2 455.536 3.385 20 0 JGADLO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(Cl)c(F)c1)[NH+]1CCOCC1 ZINC001302509865 1067116704 /nfs/dbraw/zinc/11/67/04/1067116704.db2.gz HXJPRLNCFHXQDN-OAQYLSRUSA-N 1 2 493.027 3.300 20 0 JGADLO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1)[NH+]1CCOCC1 ZINC001302510773 1067119960 /nfs/dbraw/zinc/11/99/60/1067119960.db2.gz NVBLQHIGRMFJGI-ZJSXRUAMSA-N 1 2 498.672 3.034 20 0 JGADLO Cc1ncsc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001304098315 1067141022 /nfs/dbraw/zinc/14/10/22/1067141022.db2.gz OOZXUNNQNURAQH-ILZDJORESA-N 1 2 462.664 3.319 20 0 JGADLO Cc1ncsc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001304098315 1067141029 /nfs/dbraw/zinc/14/10/29/1067141029.db2.gz OOZXUNNQNURAQH-ILZDJORESA-N 1 2 462.664 3.319 20 0 JGADLO Cc1c(Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CC[NH+]2CCOCC2)cnn1C ZINC001304105113 1067147194 /nfs/dbraw/zinc/14/71/94/1067147194.db2.gz REAFXEOIMNZFQR-UHFFFAOYSA-N 1 2 451.619 3.101 20 0 JGADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)C2)c1 ZINC001302562266 1067202283 /nfs/dbraw/zinc/20/22/83/1067202283.db2.gz OJMNPPNDUYPUHM-AREMUKBSSA-N 1 2 457.574 3.409 20 0 JGADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)C2)c1 ZINC001302562266 1067202290 /nfs/dbraw/zinc/20/22/90/1067202290.db2.gz OJMNPPNDUYPUHM-AREMUKBSSA-N 1 2 457.574 3.409 20 0 JGADLO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@](C)(O)c1ccco1 ZINC001302573850 1067213354 /nfs/dbraw/zinc/21/33/54/1067213354.db2.gz UGGJIKYIVIXEJV-MBSDFSHPSA-N 1 2 459.616 3.473 20 0 JGADLO CS[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302578200 1067216245 /nfs/dbraw/zinc/21/62/45/1067216245.db2.gz LRCRGZBQFKQKKX-UYAOXDASSA-N 1 2 473.691 3.184 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001304169498 1067217070 /nfs/dbraw/zinc/21/70/70/1067217070.db2.gz VIGUOZPKLNIEAQ-FCHUYYIVSA-N 1 2 457.619 3.057 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001304169498 1067217074 /nfs/dbraw/zinc/21/70/74/1067217074.db2.gz VIGUOZPKLNIEAQ-FCHUYYIVSA-N 1 2 457.619 3.057 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)CCC3CCOCC3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001304169659 1067217562 /nfs/dbraw/zinc/21/75/62/1067217562.db2.gz YAWOIPSDYOHXHV-QFIPXVFZSA-N 1 2 471.646 3.448 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)CCC3CCOCC3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001304169659 1067217570 /nfs/dbraw/zinc/21/75/70/1067217570.db2.gz YAWOIPSDYOHXHV-QFIPXVFZSA-N 1 2 471.646 3.448 20 0 JGADLO CS[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)C(C)(C)C ZINC001302582199 1067220953 /nfs/dbraw/zinc/22/09/53/1067220953.db2.gz WRMCJPMOBHILSL-MSOLQXFVSA-N 1 2 477.704 3.094 20 0 JGADLO CS[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302588175 1067225405 /nfs/dbraw/zinc/22/54/05/1067225405.db2.gz JILZIENLUCKZIP-IRLDBZIGSA-N 1 2 499.729 3.175 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCC(C)(C)O)c1 ZINC001304182870 1067232967 /nfs/dbraw/zinc/23/29/67/1067232967.db2.gz TXQHAWXEFDKFFA-UHFFFAOYSA-N 1 2 450.587 3.357 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001304183553 1067234425 /nfs/dbraw/zinc/23/44/25/1067234425.db2.gz WMMSHOQJYDCIFQ-NHCUHLMSSA-N 1 2 457.619 3.198 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001304183553 1067234435 /nfs/dbraw/zinc/23/44/35/1067234435.db2.gz WMMSHOQJYDCIFQ-NHCUHLMSSA-N 1 2 457.619 3.198 20 0 JGADLO Cc1cc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@]3(C)COCCO3)CC2)nc(C(C)C)[nH+]1 ZINC001304244998 1067279476 /nfs/dbraw/zinc/27/94/76/1067279476.db2.gz CAALOJHVCMAKKR-VWLOTQADSA-N 1 2 471.650 3.221 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C(C)C)n3CCCOC[C@H]3CCOC3)CC2)nc(C(C)C)[nH+]1 ZINC001304245033 1067280080 /nfs/dbraw/zinc/28/00/80/1067280080.db2.gz DLFIQPDGKALAFH-OAQYLSRUSA-N 1 2 471.650 3.393 20 0 JGADLO Cc1cc(N2CCN(c3nnc(Cc4ccccn4)n3C[C@](C)(O)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245035 1067280218 /nfs/dbraw/zinc/28/02/18/1067280218.db2.gz DLWJCQFKZCVPFJ-SANMLTNESA-N 1 2 478.645 3.219 20 0 JGADLO Cc1cc(N2CCN(c3nnc([C@@H]4CCCCO4)n3C[C@](C)(O)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245555 1067280747 /nfs/dbraw/zinc/28/07/47/1067280747.db2.gz MGAYRKYCSRYEMS-CPJSRVTESA-N 1 2 471.650 3.475 20 0 JGADLO Cc1cc(N2CCN(c3nnc([C@H]4CCCO4)n3CCCOCC(F)F)CC2)nc(C(C)C)[nH+]1 ZINC001304245892 1067281106 /nfs/dbraw/zinc/28/11/06/1067281106.db2.gz ROGJHFRPLSKISN-GOSISDBHSA-N 1 2 479.576 3.350 20 0 JGADLO CSc1ccccc1CN(C)c1nnc(CC(C)(C)C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001302663158 1067289802 /nfs/dbraw/zinc/28/98/02/1067289802.db2.gz HGDIBMFOWUZGDS-UHFFFAOYSA-N 1 2 458.676 3.389 20 0 JGADLO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001302675639 1067301118 /nfs/dbraw/zinc/30/11/18/1067301118.db2.gz ACCXVXKXMSDXMC-HMXCVIKNSA-N 1 2 495.690 3.344 20 0 JGADLO CC(C)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001302678163 1067303432 /nfs/dbraw/zinc/30/34/32/1067303432.db2.gz CMMJFWMIMWWXFD-PZJWPPBQSA-N 1 2 480.579 3.375 20 0 JGADLO CC(C)c1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001302678163 1067303442 /nfs/dbraw/zinc/30/34/42/1067303442.db2.gz CMMJFWMIMWWXFD-PZJWPPBQSA-N 1 2 480.579 3.375 20 0 JGADLO CS[C@@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001302678541 1067303934 /nfs/dbraw/zinc/30/39/34/1067303934.db2.gz OKJMWAOKTYENQI-AZUAARDMSA-N 1 2 463.673 3.238 20 0 JGADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001302678991 1067305274 /nfs/dbraw/zinc/30/52/74/1067305274.db2.gz INFGJJZMFQPRNP-FSSWDIPSSA-N 1 2 474.694 3.376 20 0 JGADLO Cc1ccc([C@@H](Cn2c(-c3cnccn3)nnc2N(C)CCC(F)F)[NH+]2CCOCC2)cc1 ZINC001304272223 1067308207 /nfs/dbraw/zinc/30/82/07/1067308207.db2.gz FQCMCRXYFYPTKJ-HXUWFJFHSA-N 1 2 457.529 3.208 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@@]1(O)CCSC1 ZINC001302697283 1067322292 /nfs/dbraw/zinc/32/22/92/1067322292.db2.gz BEEAMTATWZETOR-QFIPXVFZSA-N 1 2 466.051 3.124 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC001304291606 1067339515 /nfs/dbraw/zinc/33/95/15/1067339515.db2.gz OAYNWDBWUHBBRE-QFIPXVFZSA-N 1 2 489.686 3.077 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001304291924 1067339972 /nfs/dbraw/zinc/33/99/72/1067339972.db2.gz PDZSPEOODXLIKJ-GGAORHGYSA-N 1 2 457.619 3.056 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)[nH+]1 ZINC001302727569 1067343435 /nfs/dbraw/zinc/34/34/35/1067343435.db2.gz RGOZHSDMZKMXLI-ZWKOTPCHSA-N 1 2 451.662 3.094 20 0 JGADLO CSCC[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302727835 1067343648 /nfs/dbraw/zinc/34/36/48/1067343648.db2.gz UHPZBOJOHMTNIC-IAGOWNOFSA-N 1 2 453.603 3.446 20 0 JGADLO CSCC[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302727841 1067343821 /nfs/dbraw/zinc/34/38/21/1067343821.db2.gz UJFSSKANZRXLNE-SJORKVTESA-N 1 2 453.603 3.446 20 0 JGADLO CSCC[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302727841 1067343831 /nfs/dbraw/zinc/34/38/31/1067343831.db2.gz UJFSSKANZRXLNE-SJORKVTESA-N 1 2 453.603 3.446 20 0 JGADLO CC(C)[C@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302747560 1067355589 /nfs/dbraw/zinc/35/55/89/1067355589.db2.gz OHWJYNYXDLNILQ-UWHLTILDSA-N 1 2 476.666 3.394 20 0 JGADLO CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)c1cccc(Cl)c1Cl ZINC001302759873 1067362638 /nfs/dbraw/zinc/36/26/38/1067362638.db2.gz BWLOLKQQJQHWJD-GUYCJALGSA-N 1 2 457.358 3.344 20 0 JGADLO CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)c1cccc(Cl)c1Cl ZINC001302759873 1067362646 /nfs/dbraw/zinc/36/26/46/1067362646.db2.gz BWLOLKQQJQHWJD-GUYCJALGSA-N 1 2 457.358 3.344 20 0 JGADLO CSCCCCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001302774302 1067372374 /nfs/dbraw/zinc/37/23/74/1067372374.db2.gz SNXRXOPZXWOBFF-QHCPKHFHSA-N 1 2 460.648 3.184 20 0 JGADLO Cc1ccc([C@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNc2cccc[nH+]2)o1 ZINC001304331347 1067378848 /nfs/dbraw/zinc/37/88/48/1067378848.db2.gz MRGBWRUWIQZAHD-QZTJIDSGSA-N 1 2 473.603 3.028 20 0 JGADLO Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)s1 ZINC001304337473 1067383384 /nfs/dbraw/zinc/38/33/84/1067383384.db2.gz FSGKGJNXRANLKQ-HXUWFJFHSA-N 1 2 483.642 3.289 20 0 JGADLO Cc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CC[NH+]2CCOCC2)c(O[C@@H]2CCOC2)c1 ZINC001304355867 1067395794 /nfs/dbraw/zinc/39/57/94/1067395794.db2.gz IKZUYAMYYAHYCL-JOCHJYFZSA-N 1 2 471.646 3.160 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CCC3CC3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001304375646 1067415741 /nfs/dbraw/zinc/41/57/41/1067415741.db2.gz OVOUFTXIUJVSMC-UHFFFAOYSA-N 1 2 454.619 3.494 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CCC3CC3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001304375646 1067415744 /nfs/dbraw/zinc/41/57/44/1067415744.db2.gz OVOUFTXIUJVSMC-UHFFFAOYSA-N 1 2 454.619 3.494 20 0 JGADLO CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC001302843880 1067429696 /nfs/dbraw/zinc/42/96/96/1067429696.db2.gz XRUSAPWSFCMKIT-KURKYZTESA-N 1 2 452.477 3.434 20 0 JGADLO CC(C)Cc1nnc(N(C)Cc2nc(C(F)(F)F)cs2)n1CC1([NH+]2CCOCC2)CC1 ZINC001302848318 1067433602 /nfs/dbraw/zinc/43/36/02/1067433602.db2.gz DKLBHFIHBNFHBB-UHFFFAOYSA-N 1 2 458.554 3.453 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1C ZINC001304396167 1067457886 /nfs/dbraw/zinc/45/78/86/1067457886.db2.gz MCDIEENLDOGCPJ-OAQYLSRUSA-N 1 2 472.703 3.442 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1C ZINC001304396167 1067457888 /nfs/dbraw/zinc/45/78/88/1067457888.db2.gz MCDIEENLDOGCPJ-OAQYLSRUSA-N 1 2 472.703 3.442 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)[C@H]3CCSC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1C ZINC001304396164 1067457910 /nfs/dbraw/zinc/45/79/10/1067457910.db2.gz MCDIEENLDOGCPJ-NRFANRHFSA-N 1 2 472.703 3.442 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)[C@H]3CCSC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1C ZINC001304396164 1067457914 /nfs/dbraw/zinc/45/79/14/1067457914.db2.gz MCDIEENLDOGCPJ-NRFANRHFSA-N 1 2 472.703 3.442 20 0 JGADLO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302880508 1067461916 /nfs/dbraw/zinc/46/19/16/1067461916.db2.gz SGIHGOQORGNOBJ-DVECYGJZSA-N 1 2 459.610 3.286 20 0 JGADLO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001302880508 1067461924 /nfs/dbraw/zinc/46/19/24/1067461924.db2.gz SGIHGOQORGNOBJ-DVECYGJZSA-N 1 2 459.610 3.286 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC(OC(C)C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001304412122 1067480565 /nfs/dbraw/zinc/48/05/65/1067480565.db2.gz ZTWOKALIEDNFPI-NRFANRHFSA-N 1 2 457.619 3.280 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC(OC(C)C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001304412122 1067480566 /nfs/dbraw/zinc/48/05/66/1067480566.db2.gz ZTWOKALIEDNFPI-NRFANRHFSA-N 1 2 457.619 3.280 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCNc2cccc[nH+]2)cc1C ZINC001304414061 1067483781 /nfs/dbraw/zinc/48/37/81/1067483781.db2.gz VZBXXDWRVRAQCJ-HXUWFJFHSA-N 1 2 463.586 3.073 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1C ZINC001304425758 1067503450 /nfs/dbraw/zinc/50/34/50/1067503450.db2.gz SSNSGRCLUCQQOV-GMAHTHKFSA-N 1 2 457.619 3.056 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1C ZINC001304425758 1067503455 /nfs/dbraw/zinc/50/34/55/1067503455.db2.gz SSNSGRCLUCQQOV-GMAHTHKFSA-N 1 2 457.619 3.056 20 0 JGADLO CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001302923836 1067503882 /nfs/dbraw/zinc/50/38/82/1067503882.db2.gz VECRXULNZNYJJE-LJQANCHMSA-N 1 2 451.619 3.498 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCN(C)c1ccccc1 ZINC001302945747 1067519100 /nfs/dbraw/zinc/51/91/00/1067519100.db2.gz JFWLJZRNYCTKSC-QHCPKHFHSA-N 1 2 481.689 3.136 20 0 JGADLO Cc1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001304443385 1067525462 /nfs/dbraw/zinc/52/54/62/1067525462.db2.gz TYCDKSAIRZUVDC-LSTHTHJFSA-N 1 2 453.509 3.124 20 0 JGADLO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001304443355 1067525483 /nfs/dbraw/zinc/52/54/83/1067525483.db2.gz SHRXOTVZHQSBLC-REWPJTCUSA-N 1 2 484.645 3.414 20 0 JGADLO Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccc(OC(C)C)cc2)n1 ZINC001304459613 1067539086 /nfs/dbraw/zinc/53/90/86/1067539086.db2.gz JAXOQCFIOYOMMC-UHFFFAOYSA-N 1 2 450.587 3.252 20 0 JGADLO CC(C)Cc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302986024 1067548576 /nfs/dbraw/zinc/54/85/76/1067548576.db2.gz JNLWRCXFEOZHKM-CEMLEFRQSA-N 1 2 490.693 3.327 20 0 JGADLO Cc1cccc(CCCn2c(-c3ccc(Br)cc3)nnc2N2CCS(=O)(=O)CC2)[nH+]1 ZINC001304481129 1067560600 /nfs/dbraw/zinc/56/06/00/1067560600.db2.gz AMOUZQHOZCOHBZ-UHFFFAOYSA-N 1 2 490.427 3.279 20 0 JGADLO Cc1cccc([C@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNc2cccc[nH+]2)c1 ZINC001304480955 1067560736 /nfs/dbraw/zinc/56/07/36/1067560736.db2.gz AWWSLHKQDDZUKI-PZJWPPBQSA-N 1 2 483.642 3.435 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)[nH+]1 ZINC001304481277 1067561011 /nfs/dbraw/zinc/56/10/11/1067561011.db2.gz DHNPRLQSXSPMRE-VGSWGCGISA-N 1 2 483.016 3.405 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)[nH+]1 ZINC001304483873 1067563296 /nfs/dbraw/zinc/56/32/96/1067563296.db2.gz XXUOGMIQRDHUOB-PXNSSMCTSA-N 1 2 485.633 3.102 20 0 JGADLO Cc1cccc(CCCn2c(-c3cnccn3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001304487036 1067565177 /nfs/dbraw/zinc/56/51/77/1067565177.db2.gz QXXUITISWKXYEJ-LAUBAEHRSA-N 1 2 478.601 3.421 20 0 JGADLO Cc1cccc(CCCn2c(-c3cnccn3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001304487035 1067565343 /nfs/dbraw/zinc/56/53/43/1067565343.db2.gz QXXUITISWKXYEJ-DYESRHJHSA-N 1 2 478.601 3.421 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(=O)N(C)[C@@H](C)C2)[nH+]1 ZINC001304488192 1067566743 /nfs/dbraw/zinc/56/67/43/1067566743.db2.gz CCGMBPXKUVOHTM-FPOVZHCZSA-N 1 2 497.644 3.353 20 0 JGADLO Cc1cccc(CCCn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H]2CCCOC2)[nH+]1 ZINC001304488308 1067566774 /nfs/dbraw/zinc/56/67/74/1067566774.db2.gz FKSUNFPGOQLZKJ-LJQANCHMSA-N 1 2 468.627 3.469 20 0 JGADLO CC(C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001303030381 1067579520 /nfs/dbraw/zinc/57/95/20/1067579520.db2.gz UMDLSRWJRVAOKW-QGZVFWFLSA-N 1 2 460.026 3.219 20 0 JGADLO Cc1cccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001304507170 1067580713 /nfs/dbraw/zinc/58/07/13/1067580713.db2.gz IJWFKJGLICPURF-CMKODMSKSA-N 1 2 483.535 3.042 20 0 JGADLO Cc1cccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001304507170 1067580722 /nfs/dbraw/zinc/58/07/22/1067580722.db2.gz IJWFKJGLICPURF-CMKODMSKSA-N 1 2 483.535 3.042 20 0 JGADLO Cc1ccccc1[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001304519981 1067595551 /nfs/dbraw/zinc/59/55/51/1067595551.db2.gz OKQCUFXDPBONPJ-IRLDBZIGSA-N 1 2 456.635 3.279 20 0 JGADLO Cc1ccccc1[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001304520141 1067595681 /nfs/dbraw/zinc/59/56/81/1067595681.db2.gz OKQCUFXDPBONPJ-RBBKRZOGSA-N 1 2 456.635 3.279 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304532868 1067604012 /nfs/dbraw/zinc/60/40/12/1067604012.db2.gz ZLZOKNJXEUGWJB-BGYRXZFFSA-N 1 2 489.686 3.155 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001304532868 1067604014 /nfs/dbraw/zinc/60/40/14/1067604014.db2.gz ZLZOKNJXEUGWJB-BGYRXZFFSA-N 1 2 489.686 3.155 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001304534264 1067604784 /nfs/dbraw/zinc/60/47/84/1067604784.db2.gz IMLWUUIWZHNPFF-AZUAARDMSA-N 1 2 457.600 3.163 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001304561947 1067632235 /nfs/dbraw/zinc/63/22/35/1067632235.db2.gz ZXBCGUGJXPHPQQ-RBBKRZOGSA-N 1 2 484.645 3.001 20 0 JGADLO Cc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001304569885 1067637461 /nfs/dbraw/zinc/63/74/61/1067637461.db2.gz DYEFPXWWBNCVAH-UHFFFAOYSA-N 1 2 461.676 3.321 20 0 JGADLO Cc1ccccc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001304571241 1067639492 /nfs/dbraw/zinc/63/94/92/1067639492.db2.gz ZSDJAGABJHIFPS-OAQYLSRUSA-N 1 2 452.647 3.356 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H](C)c2ccc(F)cc2)cs1 ZINC001304657492 1067725935 /nfs/dbraw/zinc/72/59/35/1067725935.db2.gz YWGDLJBHUWOUAT-KRWDZBQOSA-N 1 2 458.607 3.345 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc(CC3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001303194750 1067727721 /nfs/dbraw/zinc/72/77/21/1067727721.db2.gz BSFQDPVHIHLKOV-UHFFFAOYSA-N 1 2 451.681 3.146 20 0 JGADLO CC(C)CN1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)[C@@H](C)C1=O ZINC001303195530 1067728876 /nfs/dbraw/zinc/72/88/76/1067728876.db2.gz IKXWCNAGWMKWQX-IBGZPJMESA-N 1 2 453.635 3.213 20 0 JGADLO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C2CCCCC2)C1 ZINC001303201565 1067737269 /nfs/dbraw/zinc/73/72/69/1067737269.db2.gz LYBFHAAHQAWBGW-JOCHJYFZSA-N 1 2 489.686 3.474 20 0 JGADLO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C2CCCCC2)C1 ZINC001303201565 1067737271 /nfs/dbraw/zinc/73/72/71/1067737271.db2.gz LYBFHAAHQAWBGW-JOCHJYFZSA-N 1 2 489.686 3.474 20 0 JGADLO Cc1nnc(CCn2c(-c3ccccc3Br)nnc2N2CC[NH+](C(C)(C)C)CC2)[nH]1 ZINC001304681056 1067753821 /nfs/dbraw/zinc/75/38/21/1067753821.db2.gz PVCUKALBDJFZJZ-UHFFFAOYSA-N 1 2 473.423 3.297 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3CCN(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001304699292 1067769511 /nfs/dbraw/zinc/76/95/11/1067769511.db2.gz DJZMAIAAYCPIJU-UHFFFAOYSA-N 1 2 486.646 3.227 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(COc4ccc(C)c(C)c4)n3CC(C)(C)O)CC2)s1 ZINC001304699341 1067769774 /nfs/dbraw/zinc/76/97/74/1067769774.db2.gz GJZDRPWNYUFSBH-UHFFFAOYSA-N 1 2 470.643 3.332 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(Cc4ccccc4C)n3CCC(=O)NC(C)C)CC2)s1 ZINC001304699990 1067770656 /nfs/dbraw/zinc/77/06/56/1067770656.db2.gz OXIAEAOOLCKMCW-UHFFFAOYSA-N 1 2 481.670 3.179 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2C[C@](C)(O)C(C)C)cc1C ZINC001304701208 1067771921 /nfs/dbraw/zinc/77/19/21/1067771921.db2.gz AVPXSMOFMLXUQL-SANMLTNESA-N 1 2 479.629 3.306 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3Cc3cccnc3OCC(F)F)CC2)cc[nH+]1 ZINC001304701946 1067773461 /nfs/dbraw/zinc/77/34/61/1067773461.db2.gz NZFKZXOIVFBTHB-UHFFFAOYSA-N 1 2 486.571 3.379 20 0 JGADLO Cc1nc(N2CCN(c3nnc(-c4cccc(OC(F)F)c4)n3C[C@](C)(O)C(C)C)CC2)cc[nH+]1 ZINC001304702617 1067774513 /nfs/dbraw/zinc/77/45/13/1067774513.db2.gz WDCLJJZKTRHKGW-DEOSSOPVSA-N 1 2 487.555 3.379 20 0 JGADLO COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c1 ZINC001303306762 1067835009 /nfs/dbraw/zinc/83/50/09/1067835009.db2.gz RMSGKWBDQNFVKR-FCHUYYIVSA-N 1 2 457.546 3.443 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCCNc2cccc[nH+]2)n1 ZINC001304754350 1067836065 /nfs/dbraw/zinc/83/60/65/1067836065.db2.gz MZYVQFIQRBDPTE-FQEVSTJZSA-N 1 2 495.632 3.140 20 0 JGADLO CC(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001303311985 1067841430 /nfs/dbraw/zinc/84/14/30/1067841430.db2.gz TTWGXQOGYZPDQW-LJQANCHMSA-N 1 2 452.024 3.096 20 0 JGADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CC1 ZINC001303314770 1067843034 /nfs/dbraw/zinc/84/30/34/1067843034.db2.gz PQNVVZRDPOUADF-HXUWFJFHSA-N 1 2 453.967 3.296 20 0 JGADLO CC(C)N1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc[nH]4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001303317008 1067844885 /nfs/dbraw/zinc/84/48/85/1067844885.db2.gz MKRAIGRHFRXPAF-QGZVFWFLSA-N 1 2 453.557 3.466 20 0 JGADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCCSC3)CC2)C1 ZINC001303318066 1067848518 /nfs/dbraw/zinc/84/85/18/1067848518.db2.gz ICRZKIOCMQOVQL-YADHBBJMSA-N 1 2 478.751 3.241 20 0 JGADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCSC3)CC2)C1 ZINC001303318064 1067848703 /nfs/dbraw/zinc/84/87/03/1067848703.db2.gz ICRZKIOCMQOVQL-VXKWHMMOSA-N 1 2 478.751 3.241 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(C4CCCC4)n3CCSC(F)(F)F)CC2)C1 ZINC001303318584 1067850377 /nfs/dbraw/zinc/85/03/77/1067850377.db2.gz VJQFKIFSFHIOSQ-LJQANCHMSA-N 1 2 490.640 3.420 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001303325178 1067854496 /nfs/dbraw/zinc/85/44/96/1067854496.db2.gz VGJQEAREDNEXSQ-RXVVDRJESA-N 1 2 460.598 3.110 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@]1(C)CCCS1 ZINC001303330437 1067859828 /nfs/dbraw/zinc/85/98/28/1067859828.db2.gz POEAGMRUPYOXGT-WZONZLPQSA-N 1 2 492.715 3.273 20 0 JGADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC001303339692 1067867889 /nfs/dbraw/zinc/86/78/89/1067867889.db2.gz SUYJOBXLGSCHTK-QGZVFWFLSA-N 1 2 452.349 3.165 20 0 JGADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC001303339692 1067867897 /nfs/dbraw/zinc/86/78/97/1067867897.db2.gz SUYJOBXLGSCHTK-QGZVFWFLSA-N 1 2 452.349 3.165 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)CCc2nccs2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001303340676 1067869118 /nfs/dbraw/zinc/86/91/18/1067869118.db2.gz XWOHETMIILYKCH-UHFFFAOYSA-N 1 2 482.658 3.375 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CCCNc1cccc[nH+]1 ZINC001303365092 1067892393 /nfs/dbraw/zinc/89/23/93/1067892393.db2.gz OZEVFQWEKYOVSK-LJQANCHMSA-N 1 2 451.550 3.447 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1ccccc1OC(C)C ZINC001303379348 1067908926 /nfs/dbraw/zinc/90/89/26/1067908926.db2.gz NYICDQMNHUOCAB-UHFFFAOYSA-N 1 2 477.613 3.276 20 0 JGADLO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001304886260 1067930447 /nfs/dbraw/zinc/93/04/47/1067930447.db2.gz JWRSWLGSGZZGFJ-UHFFFAOYSA-N 1 2 485.608 3.263 20 0 JGADLO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001304886260 1067930453 /nfs/dbraw/zinc/93/04/53/1067930453.db2.gz JWRSWLGSGZZGFJ-UHFFFAOYSA-N 1 2 485.608 3.263 20 0 JGADLO COc1cc(Br)cc(CNC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC001303412892 1067938705 /nfs/dbraw/zinc/93/87/05/1067938705.db2.gz PTXSHOXZIURPBA-OAHLLOKOSA-N 1 2 450.352 3.424 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(C4CCCC4)n3CCN(C)C(=O)OC(C)(C)C)CC2)on1 ZINC001304900201 1067943630 /nfs/dbraw/zinc/94/36/30/1067943630.db2.gz MOUTXSRPWYEJQG-UHFFFAOYSA-N 1 2 473.622 3.421 20 0 JGADLO Cc1nsc(N2CCCN(c3nnc(CC(C)(C)C)n3Cc3ccc(N(C)C)[nH+]c3)CC2)n1 ZINC001304901348 1067944980 /nfs/dbraw/zinc/94/49/80/1067944980.db2.gz DECOUVGLNNFUKX-UHFFFAOYSA-N 1 2 469.663 3.253 20 0 JGADLO CC(C)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001303420550 1067946536 /nfs/dbraw/zinc/94/65/36/1067946536.db2.gz CKBWBOPOCANLDI-HDICACEKSA-N 1 2 471.556 3.437 20 0 JGADLO C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001304915078 1067959056 /nfs/dbraw/zinc/95/90/56/1067959056.db2.gz ALBROPITEBGNFH-RTBURBONSA-N 1 2 497.669 3.187 20 0 JGADLO C[C@@H]1C[C@H](C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001304919645 1067961509 /nfs/dbraw/zinc/96/15/09/1067961509.db2.gz LJHAUSBJEHDUQY-UKBAYJJMSA-N 1 2 451.662 3.027 20 0 JGADLO CC(C)O[C@]1(c2nnc(N(C)CC(F)(F)F)n2Cc2ccc(N3CCCC3)[nH+]c2)CCOC1 ZINC001303482646 1068004949 /nfs/dbraw/zinc/00/49/49/1068004949.db2.gz WMPYIQKCDJDCFU-OAQYLSRUSA-N 1 2 468.524 3.361 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCCNc2cccc[nH+]2)CCOC1 ZINC001303488616 1068012635 /nfs/dbraw/zinc/01/26/35/1068012635.db2.gz FLMQZQNYCGKHAR-YADARESESA-N 1 2 458.607 3.220 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CCC(C(F)(F)F)CC3)n2CC(C)(C)[NH+]2CCOCC2)CCOC1 ZINC001303491094 1068016103 /nfs/dbraw/zinc/01/61/03/1068016103.db2.gz YTRZDVMGGLQGFH-JOCHJYFZSA-N 1 2 489.583 3.208 20 0 JGADLO CC(C)Oc1cccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001303517000 1068050298 /nfs/dbraw/zinc/05/02/98/1068050298.db2.gz MZAIVVPLHXGDHP-NRFANRHFSA-N 1 2 464.614 3.408 20 0 JGADLO CC(C)OC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001303524956 1068055260 /nfs/dbraw/zinc/05/52/60/1068055260.db2.gz WKIKKKBBUGCENS-UGKGYDQZSA-N 1 2 493.649 3.016 20 0 JGADLO C[C@@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCNc2cccc[nH+]2)C1 ZINC001305035959 1068091930 /nfs/dbraw/zinc/09/19/30/1068091930.db2.gz NWKYFZAMNSVALC-LJQANCHMSA-N 1 2 483.642 3.329 20 0 JGADLO C[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001305039249 1068093919 /nfs/dbraw/zinc/09/39/19/1068093919.db2.gz MKLCJDSANFIBOQ-QUCCMNQESA-N 1 2 463.623 3.078 20 0 JGADLO C[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001305039249 1068093935 /nfs/dbraw/zinc/09/39/35/1068093935.db2.gz MKLCJDSANFIBOQ-QUCCMNQESA-N 1 2 463.623 3.078 20 0 JGADLO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001305042586 1068098176 /nfs/dbraw/zinc/09/81/76/1068098176.db2.gz IUPQLEVRJCXUOS-ZGXWSNOMSA-N 1 2 462.639 3.006 20 0 JGADLO CC(C)SCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001303577397 1068101868 /nfs/dbraw/zinc/10/18/68/1068101868.db2.gz OUXWFOYCENRJTL-IBGZPJMESA-N 1 2 493.077 3.225 20 0 JGADLO CC(C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001303596217 1068119488 /nfs/dbraw/zinc/11/94/88/1068119488.db2.gz MVKQENZAKVXVMG-XDHUDOTRSA-N 1 2 473.572 3.247 20 0 JGADLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCCCCCO)CC1 ZINC001303597645 1068122373 /nfs/dbraw/zinc/12/23/73/1068122373.db2.gz XGOBUUOAFKOGIQ-SFHVURJKSA-N 1 2 471.556 3.449 20 0 JGADLO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303600206 1068127909 /nfs/dbraw/zinc/12/79/09/1068127909.db2.gz HQNVQTMUQYDDSS-UYCLUKJHSA-N 1 2 478.626 3.123 20 0 JGADLO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001303606676 1068140981 /nfs/dbraw/zinc/14/09/81/1068140981.db2.gz OVLUSJFNLONYQO-NRFANRHFSA-N 1 2 482.673 3.387 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305067858 1068141236 /nfs/dbraw/zinc/14/12/36/1068141236.db2.gz WBLHHUIQJMNCBO-QUCCMNQESA-N 1 2 489.690 3.194 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C)CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305067857 1068141316 /nfs/dbraw/zinc/14/13/16/1068141316.db2.gz WBLHHUIQJMNCBO-ICSRJNTNSA-N 1 2 489.690 3.194 20 0 JGADLO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@H]2C)[C@@H]1C ZINC001305091501 1068160189 /nfs/dbraw/zinc/16/01/89/1068160189.db2.gz JZIYFSFOYOUYNJ-VAMGGRTRSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@H]2C)[C@@H]1C ZINC001305091501 1068160193 /nfs/dbraw/zinc/16/01/93/1068160193.db2.gz JZIYFSFOYOUYNJ-VAMGGRTRSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001303631642 1068162623 /nfs/dbraw/zinc/16/26/23/1068162623.db2.gz XCBVNBHPMHXYAE-QSDPREHASA-N 1 2 465.689 3.274 20 0 JGADLO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001303631641 1068162724 /nfs/dbraw/zinc/16/27/24/1068162724.db2.gz XCBVNBHPMHXYAE-PVQQOCSKSA-N 1 2 465.689 3.274 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@@H]1C ZINC001305095978 1068162767 /nfs/dbraw/zinc/16/27/67/1068162767.db2.gz RKJJDBGVPBGLLW-SHJAMOMRSA-N 1 2 463.623 3.105 20 0 JGADLO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001305113346 1068189311 /nfs/dbraw/zinc/18/93/11/1068189311.db2.gz NUAGWZCQLVCXIE-ROUUACIJSA-N 1 2 498.093 3.357 20 0 JGADLO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303663693 1068195600 /nfs/dbraw/zinc/19/56/00/1068195600.db2.gz OEYUNOGVMFFDMH-GOSISDBHSA-N 1 2 460.586 3.351 20 0 JGADLO CC(C)c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305122821 1068206297 /nfs/dbraw/zinc/20/62/97/1068206297.db2.gz QOXIDYSAQMLWEV-JFIYKMOQSA-N 1 2 468.524 3.226 20 0 JGADLO CC(C)c1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305123778 1068208697 /nfs/dbraw/zinc/20/86/97/1068208697.db2.gz ZBCVHEVIZHCBAV-QGZVFWFLSA-N 1 2 499.557 3.092 20 0 JGADLO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001303673480 1068210476 /nfs/dbraw/zinc/21/04/76/1068210476.db2.gz CDSMQUSXORBHFR-AZUAARDMSA-N 1 2 499.660 3.309 20 0 JGADLO C[C@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305139529 1068232898 /nfs/dbraw/zinc/23/28/98/1068232898.db2.gz RGBKVFWGNVPBRN-YRXWBPOGSA-N 1 2 464.010 3.406 20 0 JGADLO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCSCC2)CC(C)(C)C1 ZINC001305144577 1068244342 /nfs/dbraw/zinc/24/43/42/1068244342.db2.gz QCIFQXPNFHRWKC-GOSISDBHSA-N 1 2 477.700 3.270 20 0 JGADLO C[C@H](Cn1c(C2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[NH+]1CCOCC1 ZINC001303714285 1068260185 /nfs/dbraw/zinc/26/01/85/1068260185.db2.gz UPTDJDDRSDXHKY-MRXNPFEDSA-N 1 2 462.545 3.010 20 0 JGADLO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC=C(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001303728576 1068282733 /nfs/dbraw/zinc/28/27/33/1068282733.db2.gz URPYYBYIWPNVJE-INIZCTEOSA-N 1 2 453.484 3.428 20 0 JGADLO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303733157 1068289398 /nfs/dbraw/zinc/28/93/98/1068289398.db2.gz QSPOIZXMJVGTER-UYAOXDASSA-N 1 2 490.674 3.097 20 0 JGADLO CC(C)N(C)C(=O)C1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001303735006 1068291886 /nfs/dbraw/zinc/29/18/86/1068291886.db2.gz UFVPJYCEUMSDDB-HSZRJFAPSA-N 1 2 496.700 3.257 20 0 JGADLO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1nccs1)[NH+]1CCOCC1 ZINC001303736524 1068294766 /nfs/dbraw/zinc/29/47/66/1068294766.db2.gz KAHOALCAHRWIOW-INIZCTEOSA-N 1 2 463.007 3.324 20 0 JGADLO O=C([C@H]1CCC(=O)N1Cc1ccc(Br)cc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001303749131 1068309868 /nfs/dbraw/zinc/30/98/68/1068309868.db2.gz JZBIPLSFZUQRQM-LJQANCHMSA-N 1 2 457.372 3.438 20 0 JGADLO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001305204996 1068329989 /nfs/dbraw/zinc/32/99/89/1068329989.db2.gz FCQJPBSTNFDXAI-KZNAEPCWSA-N 1 2 478.435 3.433 20 0 JGADLO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001305204996 1068330010 /nfs/dbraw/zinc/33/00/10/1068330010.db2.gz FCQJPBSTNFDXAI-KZNAEPCWSA-N 1 2 478.435 3.433 20 0 JGADLO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001305204994 1068330101 /nfs/dbraw/zinc/33/01/01/1068330101.db2.gz FCQJPBSTNFDXAI-KURKYZTESA-N 1 2 478.435 3.433 20 0 JGADLO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001305204994 1068330118 /nfs/dbraw/zinc/33/01/18/1068330118.db2.gz FCQJPBSTNFDXAI-KURKYZTESA-N 1 2 478.435 3.433 20 0 JGADLO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC001305213988 1068346665 /nfs/dbraw/zinc/34/66/65/1068346665.db2.gz WFHYSIMCNATTRO-GVDBMIGSSA-N 1 2 484.428 3.498 20 0 JGADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303771808 1068348602 /nfs/dbraw/zinc/34/86/02/1068348602.db2.gz QZEQYCBRXRGYDN-SJLPKXTDSA-N 1 2 471.583 3.457 20 0 JGADLO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305218381 1068355784 /nfs/dbraw/zinc/35/57/84/1068355784.db2.gz ZBBSDJARTFTZLJ-FHWLQOOXSA-N 1 2 480.679 3.013 20 0 JGADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001303789451 1068372979 /nfs/dbraw/zinc/37/29/79/1068372979.db2.gz AUGCIKMUYCMKDQ-OALUTQOASA-N 1 2 451.567 3.141 20 0 JGADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1SCC(=O)Nc1cccc(OC)c1 ZINC001303791012 1068374393 /nfs/dbraw/zinc/37/43/93/1068374393.db2.gz SFPNVTPTUWNFII-GOSISDBHSA-N 1 2 457.596 3.267 20 0 JGADLO C[C@H](Cn1c(C2CCC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001303794752 1068380620 /nfs/dbraw/zinc/38/06/20/1068380620.db2.gz BHSSMAPOVLCREM-RTBURBONSA-N 1 2 476.666 3.396 20 0 JGADLO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2nnc(C3CCC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001303794750 1068380760 /nfs/dbraw/zinc/38/07/60/1068380760.db2.gz BHSSMAPOVLCREM-RBUKOAKNSA-N 1 2 476.666 3.396 20 0 JGADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233879 1068380986 /nfs/dbraw/zinc/38/09/86/1068380986.db2.gz GYXREEZWDHWIRR-PZJWPPBQSA-N 1 2 476.666 3.492 20 0 JGADLO C[C@H]1COCC[N@H+]1CCn1c(C2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233879 1068381001 /nfs/dbraw/zinc/38/10/01/1068381001.db2.gz GYXREEZWDHWIRR-PZJWPPBQSA-N 1 2 476.666 3.492 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233877 1068381434 /nfs/dbraw/zinc/38/14/34/1068381434.db2.gz GYXREEZWDHWIRR-CTNGQTDRSA-N 1 2 476.666 3.492 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233877 1068381450 /nfs/dbraw/zinc/38/14/50/1068381450.db2.gz GYXREEZWDHWIRR-CTNGQTDRSA-N 1 2 476.666 3.492 20 0 JGADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC1(C)C ZINC001305234151 1068382126 /nfs/dbraw/zinc/38/21/26/1068382126.db2.gz LLLCMJHYFTVABT-IBGZPJMESA-N 1 2 476.666 3.492 20 0 JGADLO C[C@H]1COCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC1(C)C ZINC001305234151 1068382136 /nfs/dbraw/zinc/38/21/36/1068382136.db2.gz LLLCMJHYFTVABT-IBGZPJMESA-N 1 2 476.666 3.492 20 0 JGADLO CCC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001305263980 1068439846 /nfs/dbraw/zinc/43/98/46/1068439846.db2.gz HMXIDVWKMYUFKD-XZOQPEGZSA-N 1 2 468.646 3.045 20 0 JGADLO CCC(=O)N[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001305263964 1068439895 /nfs/dbraw/zinc/43/98/95/1068439895.db2.gz HMXIDVWKMYUFKD-DHIUTWEWSA-N 1 2 468.646 3.045 20 0 JGADLO CC(C)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001303847942 1068482358 /nfs/dbraw/zinc/48/23/58/1068482358.db2.gz WCVCGNORVMQTJO-MJGOQNOKSA-N 1 2 489.621 3.134 20 0 JGADLO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001305291404 1068494133 /nfs/dbraw/zinc/49/41/33/1068494133.db2.gz AGFWIZNRLVLFKS-HSZRJFAPSA-N 1 2 471.993 3.193 20 0 JGADLO CC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001305306142 1068513649 /nfs/dbraw/zinc/51/36/49/1068513649.db2.gz JUMSUQNONWKEAG-VWLOTQADSA-N 1 2 485.032 3.279 20 0 JGADLO CC[C@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001305308311 1068516546 /nfs/dbraw/zinc/51/65/46/1068516546.db2.gz DWHDMFQKQHJSNP-ANSQWYIGSA-N 1 2 499.660 3.234 20 0 JGADLO CC[C@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001305314573 1068527855 /nfs/dbraw/zinc/52/78/55/1068527855.db2.gz QMIIMQZGPDTPIR-VWLOTQADSA-N 1 2 452.603 3.233 20 0 JGADLO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCCCCO ZINC001303898414 1068540717 /nfs/dbraw/zinc/54/07/17/1068540717.db2.gz OXZFAAZTFYFBTD-LJQANCHMSA-N 1 2 454.550 3.441 20 0 JGADLO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305324694 1068545108 /nfs/dbraw/zinc/54/51/08/1068545108.db2.gz SNSIPWFPCMUORO-SIBVEZHUSA-N 1 2 480.613 3.481 20 0 JGADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001303913921 1068563345 /nfs/dbraw/zinc/56/33/45/1068563345.db2.gz WFFCIJHCJWJMHQ-NQIIRXRSSA-N 1 2 494.061 3.347 20 0 JGADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001303913921 1068563355 /nfs/dbraw/zinc/56/33/55/1068563355.db2.gz WFFCIJHCJWJMHQ-NQIIRXRSSA-N 1 2 494.061 3.347 20 0 JGADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001303913923 1068563388 /nfs/dbraw/zinc/56/33/88/1068563388.db2.gz WFFCIJHCJWJMHQ-WIYYLYMNSA-N 1 2 494.061 3.347 20 0 JGADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001303913923 1068563399 /nfs/dbraw/zinc/56/33/99/1068563399.db2.gz WFFCIJHCJWJMHQ-WIYYLYMNSA-N 1 2 494.061 3.347 20 0 JGADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001303913920 1068563648 /nfs/dbraw/zinc/56/36/48/1068563648.db2.gz WFFCIJHCJWJMHQ-GHTZIAJQSA-N 1 2 494.061 3.347 20 0 JGADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001303913920 1068563661 /nfs/dbraw/zinc/56/36/61/1068563661.db2.gz WFFCIJHCJWJMHQ-GHTZIAJQSA-N 1 2 494.061 3.347 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCOC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303923855 1068578148 /nfs/dbraw/zinc/57/81/48/1068578148.db2.gz QWESIOGTKWZKBG-RTBURBONSA-N 1 2 461.582 3.141 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCOC2)n1CC[N@H+]1CCOCC1(C)C ZINC001303923855 1068578152 /nfs/dbraw/zinc/57/81/52/1068578152.db2.gz QWESIOGTKWZKBG-RTBURBONSA-N 1 2 461.582 3.141 20 0 JGADLO CC[C@H](C)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC1([NH+]2CCOCC2)CC1 ZINC001305370386 1068624634 /nfs/dbraw/zinc/62/46/34/1068624634.db2.gz XFFXAVDPSUZKNG-RBUKOAKNSA-N 1 2 475.659 3.257 20 0 JGADLO CC[C@H](C)c1nnc(N(C)[C@@H](C)CS(=O)(=O)CC)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001305372012 1068626357 /nfs/dbraw/zinc/62/63/57/1068626357.db2.gz YCUQJWBIAZGYQD-OALUTQOASA-N 1 2 462.664 3.485 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)[C@H](C)CS(=O)(=O)CC)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001305372015 1068626404 /nfs/dbraw/zinc/62/64/04/1068626404.db2.gz YCUQJWBIAZGYQD-RTBURBONSA-N 1 2 462.664 3.485 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2ccc(C(=O)NC)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305382535 1068633110 /nfs/dbraw/zinc/63/31/10/1068633110.db2.gz VRQPJRLFFRWWBD-WOJBJXKFSA-N 1 2 491.640 3.456 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305391385 1068636700 /nfs/dbraw/zinc/63/67/00/1068636700.db2.gz QWYASAMSVPBVIA-IAGOWNOFSA-N 1 2 473.025 3.483 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305391386 1068636828 /nfs/dbraw/zinc/63/68/28/1068636828.db2.gz QWYASAMSVPBVIA-IRXDYDNUSA-N 1 2 473.025 3.483 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001305485791 1068722190 /nfs/dbraw/zinc/72/21/90/1068722190.db2.gz ABAKEMOHXVYUEV-GBESFXJTSA-N 1 2 451.637 3.481 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCN(c3nc(C)ns3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305505775 1068741914 /nfs/dbraw/zinc/74/19/14/1068741914.db2.gz OZWIIBXWLCJBPI-INIZCTEOSA-N 1 2 455.636 3.178 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCN(CC)C(=O)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305507744 1068745392 /nfs/dbraw/zinc/74/53/92/1068745392.db2.gz AVNXRHLQKSIGNA-GMAHTHKFSA-N 1 2 468.646 3.232 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCOC1CCCC1 ZINC001305518090 1068767530 /nfs/dbraw/zinc/76/75/30/1068767530.db2.gz GHNPHTCBIOZHBK-NHCUHLMSSA-N 1 2 460.667 3.274 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1ccccc1OCCOC ZINC001305533088 1068792206 /nfs/dbraw/zinc/79/22/06/1068792206.db2.gz MCURFGLFFHAJMA-LJQANCHMSA-N 1 2 465.602 3.290 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305533541 1068793268 /nfs/dbraw/zinc/79/32/68/1068793268.db2.gz DGISEHNOUSNUEH-QKDPSFTKSA-N 1 2 496.704 3.118 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCc1cccc(C(=O)NC)c1 ZINC001305541650 1068812707 /nfs/dbraw/zinc/81/27/07/1068812707.db2.gz PJTJWRSPTOIVQK-SFHVURJKSA-N 1 2 481.670 3.481 20 0 JGADLO CC[C@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001305556398 1068834484 /nfs/dbraw/zinc/83/44/84/1068834484.db2.gz ZBEGPNJMEWANDR-DFQSSKMNSA-N 1 2 467.536 3.460 20 0 JGADLO CC[C@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001305556398 1068834505 /nfs/dbraw/zinc/83/45/05/1068834505.db2.gz ZBEGPNJMEWANDR-DFQSSKMNSA-N 1 2 467.536 3.460 20 0 JGADLO CC[C@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305564240 1068840654 /nfs/dbraw/zinc/84/06/54/1068840654.db2.gz OCELVFQFEDDTRM-SFHVURJKSA-N 1 2 460.648 3.239 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCO[C@@H](c3nnc(C)o3)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305566999 1068842851 /nfs/dbraw/zinc/84/28/51/1068842851.db2.gz PRZYXBYOIHSJKU-VQIMIIECSA-N 1 2 454.579 3.350 20 0 JGADLO CC[C@@H](C)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305584416 1068854009 /nfs/dbraw/zinc/85/40/09/1068854009.db2.gz BGTMLVMSFHAYHN-LJQANCHMSA-N 1 2 463.634 3.444 20 0 JGADLO CC[C@@H](C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001305592304 1068859434 /nfs/dbraw/zinc/85/94/34/1068859434.db2.gz HWGLGVMGNSVBDP-DVECYGJZSA-N 1 2 487.674 3.006 20 0 JGADLO CC[C@@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305597560 1068862034 /nfs/dbraw/zinc/86/20/34/1068862034.db2.gz FPEUXIOKQXKLQZ-MOPGFXCFSA-N 1 2 452.607 3.219 20 0 JGADLO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001305631199 1068936490 /nfs/dbraw/zinc/93/64/90/1068936490.db2.gz ZRLFRLAGILTMHF-QGZVFWFLSA-N 1 2 483.020 3.328 20 0 JGADLO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305642289 1068962641 /nfs/dbraw/zinc/96/26/41/1068962641.db2.gz HSJZFHLGRQKGLE-MIZPHKNDSA-N 1 2 483.661 3.223 20 0 JGADLO CC[C@H](c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1c[nH+]ccc1OC)c1ccccc1 ZINC001305655802 1068994515 /nfs/dbraw/zinc/99/45/15/1068994515.db2.gz OOLSYWDOKHEKAY-QFIPXVFZSA-N 1 2 498.653 3.132 20 0 JGADLO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C)c1ccccc1 ZINC001305657002 1068995795 /nfs/dbraw/zinc/99/57/95/1068995795.db2.gz QZJYRUFHXRLGJB-PTNSOUGSSA-N 1 2 482.673 3.424 20 0 JGADLO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C)c1ccccc1 ZINC001305657002 1068995802 /nfs/dbraw/zinc/99/58/02/1068995802.db2.gz QZJYRUFHXRLGJB-PTNSOUGSSA-N 1 2 482.673 3.424 20 0 JGADLO CC[C@H](c1nnc(N(C)OC2CCCC2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305659380 1068999451 /nfs/dbraw/zinc/99/94/51/1068999451.db2.gz QSIMTPIPCZRMPU-QHCPKHFHSA-N 1 2 454.619 3.295 20 0 JGADLO CC[C@@H](c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[NH+]1CCSCC1)c1ccccc1 ZINC001305672253 1069019849 /nfs/dbraw/zinc/01/98/49/1069019849.db2.gz TVYIUUFHGZCHRW-FGZHOGPDSA-N 1 2 491.727 3.272 20 0 JGADLO CC[C@@H](c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[NH+]1CCSCC1)c1ccccc1 ZINC001305672249 1069020204 /nfs/dbraw/zinc/02/02/04/1069020204.db2.gz TVYIUUFHGZCHRW-FCHUYYIVSA-N 1 2 491.727 3.272 20 0 JGADLO CC[C@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1CCCCS1(=O)=O)c1ccccc1 ZINC001305673478 1069024037 /nfs/dbraw/zinc/02/40/37/1069024037.db2.gz FAFBRLHNXLVKFA-YADHBBJMSA-N 1 2 459.660 3.318 20 0 JGADLO CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1C[C@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC001305675133 1069026833 /nfs/dbraw/zinc/02/68/33/1069026833.db2.gz ANLKPRXBQXERBN-KCZVDYSFSA-N 1 2 459.660 3.175 20 0 JGADLO CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1C[C@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC001305675133 1069026851 /nfs/dbraw/zinc/02/68/51/1069026851.db2.gz ANLKPRXBQXERBN-KCZVDYSFSA-N 1 2 459.660 3.175 20 0 JGADLO CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC001305675131 1069027082 /nfs/dbraw/zinc/02/70/82/1069027082.db2.gz ANLKPRXBQXERBN-JAXLGGSGSA-N 1 2 459.660 3.175 20 0 JGADLO CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC001305675131 1069027091 /nfs/dbraw/zinc/02/70/91/1069027091.db2.gz ANLKPRXBQXERBN-JAXLGGSGSA-N 1 2 459.660 3.175 20 0 JGADLO CC[C@@H](c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC001305675363 1069028019 /nfs/dbraw/zinc/02/80/19/1069028019.db2.gz PBPLDDSRGUNFFR-FGZHOGPDSA-N 1 2 482.654 3.343 20 0 JGADLO CC[C@@H](c1nnc(N2CCS(=O)(=O)CC2)n1CCCc1cccc(C)[nH+]1)c1ccccc1 ZINC001305681570 1069039813 /nfs/dbraw/zinc/03/98/13/1069039813.db2.gz LDYNOAKHAWNKRW-JOCHJYFZSA-N 1 2 453.612 3.391 20 0 JGADLO CCC(CC)(Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1)OC ZINC001305692614 1069061277 /nfs/dbraw/zinc/06/12/77/1069061277.db2.gz IFCLXRSPYQSBKF-UHFFFAOYSA-N 1 2 483.592 3.410 20 0 JGADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc[nH+]1 ZINC001305692711 1069062176 /nfs/dbraw/zinc/06/21/76/1069062176.db2.gz JQHCSROUWVFSQT-KNXALSJPSA-N 1 2 469.767 3.354 20 0 JGADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc[nH+]1 ZINC001305693417 1069063851 /nfs/dbraw/zinc/06/38/51/1069063851.db2.gz PFMTTYRPCRMXOD-VRBBWPEWSA-N 1 2 469.586 3.373 20 0 JGADLO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001305706085 1069094517 /nfs/dbraw/zinc/09/45/17/1069094517.db2.gz ANOLOLBVTXUBMS-GGAORHGYSA-N 1 2 489.686 3.014 20 0 JGADLO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001305706087 1069094634 /nfs/dbraw/zinc/09/46/34/1069094634.db2.gz ANOLOLBVTXUBMS-JTHBVZDNSA-N 1 2 489.686 3.014 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCSC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001305723140 1069135733 /nfs/dbraw/zinc/13/57/33/1069135733.db2.gz NDFIJNJNUCHORI-LJQANCHMSA-N 1 2 457.648 3.182 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)OC2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305730768 1069150989 /nfs/dbraw/zinc/15/09/89/1069150989.db2.gz LIWHSQFUZUGZIE-GOSISDBHSA-N 1 2 485.633 3.175 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305743666 1069180553 /nfs/dbraw/zinc/18/05/53/1069180553.db2.gz NSUMVXBQTTXGIO-ROUUACIJSA-N 1 2 457.623 3.100 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](CC)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001305743966 1069181801 /nfs/dbraw/zinc/18/18/01/1069181801.db2.gz OGJBYXYBABVNLR-OYDLWJJNSA-N 1 2 498.672 3.101 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](CC)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001305743966 1069181808 /nfs/dbraw/zinc/18/18/08/1069181808.db2.gz OGJBYXYBABVNLR-OYDLWJJNSA-N 1 2 498.672 3.101 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305745277 1069185630 /nfs/dbraw/zinc/18/56/30/1069185630.db2.gz VBVSSSJKWBGFCX-SFHVURJKSA-N 1 2 477.613 3.493 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001305747103 1069190285 /nfs/dbraw/zinc/19/02/85/1069190285.db2.gz FAVFEAZVOCLWKZ-SIKLNZKXSA-N 1 2 483.661 3.491 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC[C@H](OC)C(F)(F)F ZINC001305759909 1069223207 /nfs/dbraw/zinc/22/32/07/1069223207.db2.gz RQXDCSDCNVCZPX-SFHVURJKSA-N 1 2 497.566 3.188 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCCCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001305773244 1069252650 /nfs/dbraw/zinc/25/26/50/1069252650.db2.gz MORCDDHXMQOXEX-HSZRJFAPSA-N 1 2 468.646 3.478 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCCCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001305773244 1069252658 /nfs/dbraw/zinc/25/26/58/1069252658.db2.gz MORCDDHXMQOXEX-HSZRJFAPSA-N 1 2 468.646 3.478 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCCCCC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305773571 1069253126 /nfs/dbraw/zinc/25/31/26/1069253126.db2.gz NOYLZZURXDMDCL-HXUWFJFHSA-N 1 2 483.665 3.468 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCCCCC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305773571 1069253133 /nfs/dbraw/zinc/25/31/33/1069253133.db2.gz NOYLZZURXDMDCL-HXUWFJFHSA-N 1 2 483.665 3.468 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC[C@H]1CCOC1 ZINC001305784430 1069280339 /nfs/dbraw/zinc/28/03/39/1069280339.db2.gz MCFLWAOGNSFOJW-FQEVSTJZSA-N 1 2 498.676 3.172 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001305784338 1069280432 /nfs/dbraw/zinc/28/04/32/1069280432.db2.gz VORLWWAIWSGAMY-AREMUKBSSA-N 1 2 495.628 3.036 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1cccc(F)c1 ZINC001305784753 1069281884 /nfs/dbraw/zinc/28/18/84/1069281884.db2.gz UMNDWUDFANIPMH-UHFFFAOYSA-N 1 2 451.550 3.106 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@@H]1CCSC1 ZINC001305788524 1069297729 /nfs/dbraw/zinc/29/77/29/1069297729.db2.gz WONZRLNHYORSQI-IBGZPJMESA-N 1 2 474.650 3.411 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305789631 1069300452 /nfs/dbraw/zinc/30/04/52/1069300452.db2.gz FGNMNMUSNCUIHH-SFHVURJKSA-N 1 2 471.650 3.490 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1Cc1c[nH+]ccc1OC ZINC001305791783 1069304685 /nfs/dbraw/zinc/30/46/85/1069304685.db2.gz PRTGPAQFNZOXJC-SANMLTNESA-N 1 2 478.597 3.400 20 0 JGADLO O=C(c1cccnc1N1C[C@H]2c3ccccc3C(=O)[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164406347 718847802 /nfs/dbraw/zinc/84/78/02/718847802.db2.gz NNIRJGBXWYGBPD-DQEYMECFSA-N 1 2 452.558 3.456 20 0 JGADLO O=C(c1cccnc1N1C[C@@H]2C(=O)c3ccccc3[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164406358 718848108 /nfs/dbraw/zinc/84/81/08/718848108.db2.gz NNIRJGBXWYGBPD-RPBOFIJWSA-N 1 2 452.558 3.456 20 0 JGADLO O=C(c1cccnc1N1C[C@H]2c3ccccc3NC(=O)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164401733 718857602 /nfs/dbraw/zinc/85/76/02/718857602.db2.gz HTBNZNSSEKIRBL-BJKOFHAPSA-N 1 2 467.573 3.212 20 0 JGADLO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164418588 718890599 /nfs/dbraw/zinc/89/05/99/718890599.db2.gz PDCGEJDDEFDOOM-ZDUSSCGKSA-N 1 2 486.704 3.367 20 0 JGADLO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416654 718890896 /nfs/dbraw/zinc/89/08/96/718890896.db2.gz FJHMCVMVJMCSHL-JTQLQIEISA-N 1 2 484.692 3.491 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164664150 719347898 /nfs/dbraw/zinc/34/78/98/719347898.db2.gz SKTGCWDWBIXLAL-UHFFFAOYSA-N 1 2 495.031 3.056 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164664150 719347901 /nfs/dbraw/zinc/34/79/01/719347901.db2.gz SKTGCWDWBIXLAL-UHFFFAOYSA-N 1 2 495.031 3.056 20 0 JGADLO CN1CCc2nc(Cl)nc(N3CCC4(CCn5c(-c6ccc(C(N)=O)cc6)c[nH+]c54)CC3)c2C1 ZINC001164695965 719830395 /nfs/dbraw/zinc/83/03/95/719830395.db2.gz HBKGOJOTPFHJQR-UHFFFAOYSA-N 1 2 478.000 3.022 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(F)ccc1Oc1ccc(Cl)nn1 ZINC001164707585 719867718 /nfs/dbraw/zinc/86/77/18/719867718.db2.gz TYQZHEKVMLJMNR-OPAMFIHVSA-N 1 2 464.925 3.294 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCCC[C@@H]1C ZINC001164700648 719867977 /nfs/dbraw/zinc/86/79/77/719867977.db2.gz FEEGVEPQWFKACZ-UNVFRBQDSA-N 1 2 467.614 3.241 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(F)c1 ZINC001164702795 719878236 /nfs/dbraw/zinc/87/82/36/719878236.db2.gz QIWMFMGUKOVNKM-OPAMFIHVSA-N 1 2 464.925 3.294 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(OC)c1 ZINC001164697700 719878626 /nfs/dbraw/zinc/87/86/26/719878626.db2.gz DBMDUNGTEIENIJ-MWTRTKDXSA-N 1 2 476.961 3.164 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(OC)cc1 ZINC001164704881 719878649 /nfs/dbraw/zinc/87/86/49/719878649.db2.gz WVPDPWOHVBNFQL-WAIKUNEKSA-N 1 2 476.961 3.164 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1OC ZINC001164697061 719879234 /nfs/dbraw/zinc/87/92/34/719879234.db2.gz BKNJBBSTMJNJHB-WAIKUNEKSA-N 1 2 476.961 3.164 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)CC2 ZINC001164708379 719907691 /nfs/dbraw/zinc/90/76/91/719907691.db2.gz BORDZEIJSIAECW-UHFFFAOYSA-N 1 2 493.615 3.494 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164708653 719912364 /nfs/dbraw/zinc/91/23/64/719912364.db2.gz FFYWTTDRNFRELA-UHFFFAOYSA-N 1 2 474.943 3.117 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164708600 719918247 /nfs/dbraw/zinc/91/82/47/719918247.db2.gz MOXYUOHXIVSEBW-UHFFFAOYSA-N 1 2 474.943 3.117 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(-c3ccc(F)cc3)nc3ccccc31)CC2 ZINC001164708122 719923563 /nfs/dbraw/zinc/92/35/63/719923563.db2.gz DDUWHEOXAFHXIK-UHFFFAOYSA-N 1 2 485.567 3.120 20 0 JGADLO Cc1nc(-c2ccccc2Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1C ZINC001164708803 719931742 /nfs/dbraw/zinc/93/17/42/719931742.db2.gz RLGCXOUAZNTTRN-UHFFFAOYSA-N 1 2 480.016 3.098 20 0 JGADLO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709148 719936419 /nfs/dbraw/zinc/93/64/19/719936419.db2.gz ZOHGDPXKZOVLNQ-UHFFFAOYSA-N 1 2 474.943 3.159 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)CC2 ZINC001164704272 720048507 /nfs/dbraw/zinc/04/85/07/720048507.db2.gz QWFXPMORPJYNME-UHFFFAOYSA-N 1 2 494.814 3.274 20 0 JGADLO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(C[C@H](COC)[N@H+](Cc5ccccn5)C4)CC3)c12 ZINC001164710978 720105179 /nfs/dbraw/zinc/10/51/79/720105179.db2.gz MKTMKPMTLBOJBB-LJQANCHMSA-N 1 2 464.570 3.037 20 0 JGADLO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(C[C@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)c12 ZINC001164710978 720105184 /nfs/dbraw/zinc/10/51/84/720105184.db2.gz MKTMKPMTLBOJBB-LJQANCHMSA-N 1 2 464.570 3.037 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)C2)C1 ZINC001164717862 720228307 /nfs/dbraw/zinc/22/83/07/720228307.db2.gz JUHLQHJDDYPCLU-FQEVSTJZSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)c4cc(Cl)ccc4n3)C2)C1 ZINC001164717862 720228318 /nfs/dbraw/zinc/22/83/18/720228318.db2.gz JUHLQHJDDYPCLU-FQEVSTJZSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nc(Cl)c(Cl)c3Cl)C2)C1 ZINC001164717556 720232621 /nfs/dbraw/zinc/23/26/21/720232621.db2.gz BBKYOMUGEQUDEA-KRWDZBQOSA-N 1 2 456.201 3.360 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)nc(Cl)c(Cl)c3Cl)C2)C1 ZINC001164717556 720232630 /nfs/dbraw/zinc/23/26/30/720232630.db2.gz BBKYOMUGEQUDEA-KRWDZBQOSA-N 1 2 456.201 3.360 20 0 JGADLO O=C(c1cccnc1N1CCC[C@]2(CCN(CC3CC3)C2=O)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164816998 720280191 /nfs/dbraw/zinc/28/01/91/720280191.db2.gz AVUSBWJCOYARKF-LJAQVGFWSA-N 1 2 487.648 3.269 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C2)C1 ZINC001164720636 720300472 /nfs/dbraw/zinc/30/04/72/720300472.db2.gz BMBIRJBTLVUGPI-JOCHJYFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C2)C1 ZINC001164720636 720300478 /nfs/dbraw/zinc/30/04/78/720300478.db2.gz BMBIRJBTLVUGPI-JOCHJYFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C2)C1 ZINC001164722369 720301514 /nfs/dbraw/zinc/30/15/14/720301514.db2.gz QHLJNCSVXOISTN-JOCHJYFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4cccnc4)c3)C2)C1 ZINC001164722369 720301527 /nfs/dbraw/zinc/30/15/27/720301527.db2.gz QHLJNCSVXOISTN-JOCHJYFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(-c4ccc(C)cc4)nnc3Cl)C2)C1 ZINC001164724631 720310253 /nfs/dbraw/zinc/31/02/53/720310253.db2.gz SIOAGZGLAFUBMS-QHCPKHFHSA-N 1 2 493.986 3.315 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(-c4ccc(C)cc4)nnc3Cl)C2)C1 ZINC001164724631 720310260 /nfs/dbraw/zinc/31/02/60/720310260.db2.gz SIOAGZGLAFUBMS-QHCPKHFHSA-N 1 2 493.986 3.315 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)C2)C1 ZINC001164721888 720310429 /nfs/dbraw/zinc/31/04/29/720310429.db2.gz IHBLTZPNNBNLIB-JOCHJYFZSA-N 1 2 497.949 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(-c4cccc(F)c4)nnc3Cl)C2)C1 ZINC001164721888 720310435 /nfs/dbraw/zinc/31/04/35/720310435.db2.gz IHBLTZPNNBNLIB-JOCHJYFZSA-N 1 2 497.949 3.146 20 0 JGADLO COC(=O)c1cc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)cnc1Cl ZINC001164721365 720312445 /nfs/dbraw/zinc/31/24/45/720312445.db2.gz GPXAQQNLMVNGGH-INIZCTEOSA-N 1 2 455.893 3.084 20 0 JGADLO CCS(=O)(=O)c1cc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)cnc1Cl ZINC001164724968 720318699 /nfs/dbraw/zinc/31/86/99/720318699.db2.gz UDXNSGWGEQVUJA-INIZCTEOSA-N 1 2 489.976 3.091 20 0 JGADLO COC(=O)c1ccc2ccnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2c1 ZINC001164824106 720366949 /nfs/dbraw/zinc/36/69/49/720366949.db2.gz JICQRQBRBZOKQQ-UHFFFAOYSA-N 1 2 479.606 3.100 20 0 JGADLO COC(=O)c1ccc2ccnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2c1 ZINC001164824106 720366953 /nfs/dbraw/zinc/36/69/53/720366953.db2.gz JICQRQBRBZOKQQ-UHFFFAOYSA-N 1 2 479.606 3.100 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc(-c5ccccc5)n4)CC3)C2=O)cs1 ZINC001164824008 720367148 /nfs/dbraw/zinc/36/71/48/720367148.db2.gz GWAFXQINKSOZCC-UHFFFAOYSA-N 1 2 484.029 3.270 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc(-c5ccccc5)n4)CC3)C2=O)cs1 ZINC001164824008 720367158 /nfs/dbraw/zinc/36/71/58/720367158.db2.gz GWAFXQINKSOZCC-UHFFFAOYSA-N 1 2 484.029 3.270 20 0 JGADLO CCOc1cc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164824889 720368158 /nfs/dbraw/zinc/36/81/58/720368158.db2.gz PMMJWPCWXHCDPU-UHFFFAOYSA-N 1 2 450.008 3.212 20 0 JGADLO CCOc1cc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164824889 720368165 /nfs/dbraw/zinc/36/81/65/720368165.db2.gz PMMJWPCWXHCDPU-UHFFFAOYSA-N 1 2 450.008 3.212 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5cc(Cl)cnc5n4)CC3)C2=O)cs1 ZINC001164824887 720368705 /nfs/dbraw/zinc/36/87/05/720368705.db2.gz PLHBKEOOSDPKAT-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5cc(Cl)cnc5n4)CC3)C2=O)cs1 ZINC001164824887 720368713 /nfs/dbraw/zinc/36/87/13/720368713.db2.gz PLHBKEOOSDPKAT-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5[nH]c6ccccc6c54)CC3)C2=O)cs1 ZINC001164820342 720373293 /nfs/dbraw/zinc/37/32/93/720373293.db2.gz NYRYYTNYMFCNTD-UHFFFAOYSA-N 1 2 461.595 3.189 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5[nH]c6ccccc6c54)CC3)C2=O)cs1 ZINC001164820342 720373300 /nfs/dbraw/zinc/37/33/00/720373300.db2.gz NYRYYTNYMFCNTD-UHFFFAOYSA-N 1 2 461.595 3.189 20 0 JGADLO CCCN(CCC)c1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164820328 720376393 /nfs/dbraw/zinc/37/63/93/720376393.db2.gz NRYCQTPNWANJPF-UHFFFAOYSA-N 1 2 471.675 3.181 20 0 JGADLO CCCN(CCC)c1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164820328 720376399 /nfs/dbraw/zinc/37/63/99/720376399.db2.gz NRYCQTPNWANJPF-UHFFFAOYSA-N 1 2 471.675 3.181 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5ccccc5nc4N4CCCC4)CC3)C2=O)cs1 ZINC001164819300 720378056 /nfs/dbraw/zinc/37/80/56/720378056.db2.gz BHQJZNNGINIERS-UHFFFAOYSA-N 1 2 491.665 3.308 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5ccccc5nc4N4CCCC4)CC3)C2=O)cs1 ZINC001164819300 720378062 /nfs/dbraw/zinc/37/80/62/720378062.db2.gz BHQJZNNGINIERS-UHFFFAOYSA-N 1 2 491.665 3.308 20 0 JGADLO COc1ccccc1-c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164819441 720380488 /nfs/dbraw/zinc/38/04/88/720380488.db2.gz FDANWHQDUQJJDU-UHFFFAOYSA-N 1 2 478.622 3.230 20 0 JGADLO COc1ccccc1-c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164819441 720380494 /nfs/dbraw/zinc/38/04/94/720380494.db2.gz FDANWHQDUQJJDU-UHFFFAOYSA-N 1 2 478.622 3.230 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5ccsc5)nn4)CC3)C2=O)cs1 ZINC001164823715 720382038 /nfs/dbraw/zinc/38/20/38/720382038.db2.gz PSUFOJGPEWXDKQ-UHFFFAOYSA-N 1 2 454.625 3.283 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5ccsc5)nn4)CC3)C2=O)cs1 ZINC001164823715 720382044 /nfs/dbraw/zinc/38/20/44/720382044.db2.gz PSUFOJGPEWXDKQ-UHFFFAOYSA-N 1 2 454.625 3.283 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(-c5ccncc5)nc5c4CCC5)CC3)C2=O)cs1 ZINC001164822969 720382398 /nfs/dbraw/zinc/38/23/98/720382398.db2.gz OCDWGAJWKYLHAG-UHFFFAOYSA-N 1 2 489.649 3.105 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(-c5ccncc5)nc5c4CCC5)CC3)C2=O)cs1 ZINC001164822969 720382402 /nfs/dbraw/zinc/38/24/02/720382402.db2.gz OCDWGAJWKYLHAG-UHFFFAOYSA-N 1 2 489.649 3.105 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)cc(OCc5ccccc5)n4)CC3)C2=O)cs1 ZINC001164825126 720382739 /nfs/dbraw/zinc/38/27/39/720382739.db2.gz UFZZCQFJARYHLK-UHFFFAOYSA-N 1 2 492.649 3.442 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)cc(OCc5ccccc5)n4)CC3)C2=O)cs1 ZINC001164825126 720382747 /nfs/dbraw/zinc/38/27/47/720382747.db2.gz UFZZCQFJARYHLK-UHFFFAOYSA-N 1 2 492.649 3.442 20 0 JGADLO CSc1ccc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2c1 ZINC001164822964 720384020 /nfs/dbraw/zinc/38/40/20/720384020.db2.gz OAVCRMRABVQNIB-UHFFFAOYSA-N 1 2 468.652 3.430 20 0 JGADLO CSc1ccc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2c1 ZINC001164822964 720384027 /nfs/dbraw/zinc/38/40/27/720384027.db2.gz OAVCRMRABVQNIB-UHFFFAOYSA-N 1 2 468.652 3.430 20 0 JGADLO F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830179 720398823 /nfs/dbraw/zinc/39/88/23/720398823.db2.gz QNOCRHATNZEVDY-NRFANRHFSA-N 1 2 454.897 3.171 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc(Cl)nc(Cl)c1)C2 ZINC001164822589 720431679 /nfs/dbraw/zinc/43/16/79/720431679.db2.gz FJXKGCGMSYSUHC-CQSZACIVSA-N 1 2 476.355 3.119 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001164823018 720433326 /nfs/dbraw/zinc/43/33/26/720433326.db2.gz GSWYLEOXLPROJR-MRXNPFEDSA-N 1 2 492.958 3.014 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc3ccc(F)cc31)C2 ZINC001164823379 720440641 /nfs/dbraw/zinc/44/06/41/720440641.db2.gz IRRCUESKPIUHAR-KRWDZBQOSA-N 1 2 459.953 3.213 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c(Cl)cccc31)C2 ZINC001164821928 720447413 /nfs/dbraw/zinc/44/74/13/720447413.db2.gz AVBGBCASZPHKOM-HNNXBMFYSA-N 1 2 477.396 3.123 20 0 JGADLO COc1ccc2c(c1)nc(Cl)cc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164821883 720451174 /nfs/dbraw/zinc/45/11/74/720451174.db2.gz ADQMKCPAHXVJEI-KRWDZBQOSA-N 1 2 471.989 3.083 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730200 720458457 /nfs/dbraw/zinc/45/84/57/720458457.db2.gz IOGLCQKWNQZCPG-NHCUHLMSSA-N 1 2 453.543 3.270 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730200 720458458 /nfs/dbraw/zinc/45/84/58/720458458.db2.gz IOGLCQKWNQZCPG-NHCUHLMSSA-N 1 2 453.543 3.270 20 0 JGADLO Cc1cc2nc(Cl)c(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc2cc1C ZINC001164832287 720460991 /nfs/dbraw/zinc/46/09/91/720460991.db2.gz SQHHYGYITQBCNU-GOSISDBHSA-N 1 2 471.005 3.086 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)C2 ZINC001164832703 720469515 /nfs/dbraw/zinc/46/95/15/720469515.db2.gz VXHWQOPDYXCLDP-IBGZPJMESA-N 1 2 470.662 3.258 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cc3ccccc3)c3ccccc31)C2 ZINC001164830675 720470266 /nfs/dbraw/zinc/47/02/66/720470266.db2.gz KTSRZPVXXULHBY-QHCPKHFHSA-N 1 2 498.631 3.407 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccc(Cl)nn3)ccc1F)C2 ZINC001164829813 720475135 /nfs/dbraw/zinc/47/51/35/720475135.db2.gz HCOKJOCFSMFTNE-SFHVURJKSA-N 1 2 486.979 3.122 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(F)ccc1-c1ccc(Cl)nn1)C2 ZINC001164832698 720475479 /nfs/dbraw/zinc/47/54/79/720475479.db2.gz VVEGMCAZIQPIJR-QGZVFWFLSA-N 1 2 486.979 3.122 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(Cl)ccc(F)c3n1)C2 ZINC001164830329 720480014 /nfs/dbraw/zinc/48/00/14/720480014.db2.gz AGHVQPMDNDGSDF-MRXNPFEDSA-N 1 2 459.953 3.213 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cnc(Cl)nc1Oc1ccccc1)C2 ZINC001164834778 720480824 /nfs/dbraw/zinc/48/08/24/720480824.db2.gz URGHATBFGGIHFA-SFHVURJKSA-N 1 2 484.988 3.108 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(C3CCCCC3)n1)C2 ZINC001164833523 720480887 /nfs/dbraw/zinc/48/08/87/720480887.db2.gz PNXISEMFGJBKTK-IBGZPJMESA-N 1 2 475.037 3.364 20 0 JGADLO COc1cc2c(cc(Cl)nc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)cc1F ZINC001164830406 720483740 /nfs/dbraw/zinc/48/37/40/720483740.db2.gz BKOWQRFVKQZTEE-QGZVFWFLSA-N 1 2 489.979 3.222 20 0 JGADLO CCOC(=O)c1cnc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1Cl ZINC001164756810 720973067 /nfs/dbraw/zinc/97/30/67/720973067.db2.gz LNHTWGFPTMASRU-CQSZACIVSA-N 1 2 455.893 3.111 20 0 JGADLO c1[nH+]cn2c1CN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C[C@@H](COCC1CC1)C2 ZINC001164755841 720980445 /nfs/dbraw/zinc/98/04/45/720980445.db2.gz CGRZFNMAKKMXMJ-LJQANCHMSA-N 1 2 494.665 3.272 20 0 JGADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164873156 721217042 /nfs/dbraw/zinc/21/70/42/721217042.db2.gz QBWWWLODOJBEHZ-UHFFFAOYSA-N 1 2 467.904 3.122 20 0 JGADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164874332 721218739 /nfs/dbraw/zinc/21/87/39/721218739.db2.gz UJSLMELPWPBIAM-UHFFFAOYSA-N 1 2 452.889 3.337 20 0 JGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)C2 ZINC001165011727 721698849 /nfs/dbraw/zinc/69/88/49/721698849.db2.gz XCYPZOSFJCVRTR-UHFFFAOYSA-N 1 2 465.993 3.370 20 0 JGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)C2 ZINC001165011727 721698852 /nfs/dbraw/zinc/69/88/52/721698852.db2.gz XCYPZOSFJCVRTR-UHFFFAOYSA-N 1 2 465.993 3.370 20 0 JGADLO CCOC(=O)c1sc2nc(C)nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2c1C ZINC001165009244 721712159 /nfs/dbraw/zinc/71/21/59/721712159.db2.gz RPNWIIXACDRQQD-UHFFFAOYSA-N 1 2 457.604 3.327 20 0 JGADLO CCOC(=O)c1sc2nc(C)nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2c1C ZINC001165009244 721712168 /nfs/dbraw/zinc/71/21/68/721712168.db2.gz RPNWIIXACDRQQD-UHFFFAOYSA-N 1 2 457.604 3.327 20 0 JGADLO Clc1cccc(-c2cccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)n1 ZINC001164915979 721783231 /nfs/dbraw/zinc/78/32/31/721783231.db2.gz MUMNVXBEROKOPQ-DEOSSOPVSA-N 1 2 451.958 3.300 20 0 JGADLO Clc1cccc(-c2cccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)n1 ZINC001164915979 721783232 /nfs/dbraw/zinc/78/32/32/721783232.db2.gz MUMNVXBEROKOPQ-DEOSSOPVSA-N 1 2 451.958 3.300 20 0 JGADLO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916781 721788049 /nfs/dbraw/zinc/78/80/49/721788049.db2.gz UFNTWAWLTQWKFT-JOCHJYFZSA-N 1 2 475.927 3.331 20 0 JGADLO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916781 721788053 /nfs/dbraw/zinc/78/80/53/721788053.db2.gz UFNTWAWLTQWKFT-JOCHJYFZSA-N 1 2 475.927 3.331 20 0 JGADLO Clc1cc(Cc2ccccc2)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915564 721790114 /nfs/dbraw/zinc/79/01/14/721790114.db2.gz LHKBPAHJDMXINH-RUZDIDTESA-N 1 2 465.985 3.224 20 0 JGADLO Clc1cc(Cc2ccccc2)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915564 721790116 /nfs/dbraw/zinc/79/01/16/721790116.db2.gz LHKBPAHJDMXINH-RUZDIDTESA-N 1 2 465.985 3.224 20 0 JGADLO CCOc1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164914684 721796973 /nfs/dbraw/zinc/79/69/73/721796973.db2.gz QCMJWRYSLJKNCA-AREMUKBSSA-N 1 2 461.566 3.045 20 0 JGADLO CCOc1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164914684 721796974 /nfs/dbraw/zinc/79/69/74/721796974.db2.gz QCMJWRYSLJKNCA-AREMUKBSSA-N 1 2 461.566 3.045 20 0 JGADLO c1ccc(CSc2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914311 721798497 /nfs/dbraw/zinc/79/84/97/721798497.db2.gz LOYSGPMIGKZIRX-RUZDIDTESA-N 1 2 463.607 3.272 20 0 JGADLO c1ccc(CSc2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914311 721798499 /nfs/dbraw/zinc/79/84/99/721798499.db2.gz LOYSGPMIGKZIRX-RUZDIDTESA-N 1 2 463.607 3.272 20 0 JGADLO Clc1nc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C2CC2)n1 ZINC001164914991 721800996 /nfs/dbraw/zinc/80/09/96/721800996.db2.gz SQDLLQKQKGKXJL-OAQYLSRUSA-N 1 2 450.370 3.164 20 0 JGADLO Clc1nc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C2CC2)n1 ZINC001164914991 721800997 /nfs/dbraw/zinc/80/09/97/721800997.db2.gz SQDLLQKQKGKXJL-OAQYLSRUSA-N 1 2 450.370 3.164 20 0 JGADLO COc1cc2cnc(Cl)cc2cc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915643 721801784 /nfs/dbraw/zinc/80/17/84/721801784.db2.gz XETOMQRPDLIJSC-DEOSSOPVSA-N 1 2 454.958 3.400 20 0 JGADLO COc1cc2cnc(Cl)cc2cc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915643 721801785 /nfs/dbraw/zinc/80/17/85/721801785.db2.gz XETOMQRPDLIJSC-DEOSSOPVSA-N 1 2 454.958 3.400 20 0 JGADLO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164921720 721835146 /nfs/dbraw/zinc/83/51/46/721835146.db2.gz FJJFTPNPMRIENI-AMGIVPHBSA-N 1 2 471.609 3.089 20 0 JGADLO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164921720 721835148 /nfs/dbraw/zinc/83/51/48/721835148.db2.gz FJJFTPNPMRIENI-AMGIVPHBSA-N 1 2 471.609 3.089 20 0 JGADLO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164921722 721835344 /nfs/dbraw/zinc/83/53/44/721835344.db2.gz FJJFTPNPMRIENI-WXVAWEFUSA-N 1 2 471.609 3.089 20 0 JGADLO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164921722 721835345 /nfs/dbraw/zinc/83/53/45/721835345.db2.gz FJJFTPNPMRIENI-WXVAWEFUSA-N 1 2 471.609 3.089 20 0 JGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H]5COC[C@]5(COCc5ccccn5)C4)c3C2)cc1 ZINC001164928249 721838094 /nfs/dbraw/zinc/83/80/94/721838094.db2.gz XHIVLRMYHCLXAM-CUNXSJBXSA-N 1 2 457.578 3.100 20 0 JGADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H]5COC[C@]5(COCc5ccccn5)C4)c3C2)cc1 ZINC001164928249 721838096 /nfs/dbraw/zinc/83/80/96/721838096.db2.gz XHIVLRMYHCLXAM-CUNXSJBXSA-N 1 2 457.578 3.100 20 0 JGADLO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165036546 721901693 /nfs/dbraw/zinc/90/16/93/721901693.db2.gz HEUSHYXKJYXMOD-KRWDZBQOSA-N 1 2 466.916 3.333 20 0 JGADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945965 721974958 /nfs/dbraw/zinc/97/49/58/721974958.db2.gz HONPFDRXRFGRFY-UHFFFAOYSA-N 1 2 456.974 3.191 20 0 JGADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945965 721974960 /nfs/dbraw/zinc/97/49/60/721974960.db2.gz HONPFDRXRFGRFY-UHFFFAOYSA-N 1 2 456.974 3.191 20 0 JGADLO COc1ccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)c(OC)c1 ZINC001164948136 721979505 /nfs/dbraw/zinc/97/95/05/721979505.db2.gz JMYKKQVOYLKFPJ-UHFFFAOYSA-N 1 2 473.577 3.132 20 0 JGADLO COc1ccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)c(OC)c1 ZINC001164948136 721979507 /nfs/dbraw/zinc/97/95/07/721979507.db2.gz JMYKKQVOYLKFPJ-UHFFFAOYSA-N 1 2 473.577 3.132 20 0 JGADLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(-c2ccc(Cl)nc2)n1 ZINC001164946447 721981074 /nfs/dbraw/zinc/98/10/74/721981074.db2.gz FWJIVYUWBHKQAW-UHFFFAOYSA-N 1 2 462.985 3.471 20 0 JGADLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(-c2ccc(Cl)nc2)n1 ZINC001164946447 721981076 /nfs/dbraw/zinc/98/10/76/721981076.db2.gz FWJIVYUWBHKQAW-UHFFFAOYSA-N 1 2 462.985 3.471 20 0 JGADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4COC[C@@]4(COC)C3)c2c1C ZINC001164950575 721994883 /nfs/dbraw/zinc/99/48/83/721994883.db2.gz JOVVQCGCRJXVRY-OSPHWJPCSA-N 1 2 474.627 3.262 20 0 JGADLO O=S(=O)(Nc1ccc(F)c(N2CC[NH+](CCc3ccccn3)CC2)c1)c1ccc(Cl)nc1 ZINC001165055226 722018701 /nfs/dbraw/zinc/01/87/01/722018701.db2.gz MWTYTZIBQTZDMU-UHFFFAOYSA-N 1 2 475.977 3.435 20 0 JGADLO CCOC(=O)c1cc2cc[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)c2[nH]1 ZINC001164987194 722180238 /nfs/dbraw/zinc/18/02/38/722180238.db2.gz HGVFZSHIKFLECF-VQTJNVASSA-N 1 2 455.584 3.374 20 0 JGADLO CCOC(=O)c1cc2cc[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)c2[nH]1 ZINC001164987195 722180314 /nfs/dbraw/zinc/18/03/14/722180314.db2.gz HGVFZSHIKFLECF-WOJBJXKFSA-N 1 2 455.584 3.374 20 0 JGADLO CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1)OC ZINC001305838948 1069383719 /nfs/dbraw/zinc/38/37/19/1069383719.db2.gz SCSRKNGODXTZNC-OALUTQOASA-N 1 2 464.010 3.061 20 0 JGADLO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001305851132 1069404840 /nfs/dbraw/zinc/40/48/40/1069404840.db2.gz YBQNNFUMMUHYBM-HSALFYBXSA-N 1 2 485.633 3.195 20 0 JGADLO CCC(O)(CC)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001305851787 1069406049 /nfs/dbraw/zinc/40/60/49/1069406049.db2.gz NMHCYDIHCRHJEX-UHFFFAOYSA-N 1 2 484.601 3.132 20 0 JGADLO CCC(O)(CC)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001305852268 1069406464 /nfs/dbraw/zinc/40/64/64/1069406464.db2.gz LUTPDOHZROSAKN-LJQANCHMSA-N 1 2 475.609 3.193 20 0 JGADLO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)O1 ZINC001305858211 1069413553 /nfs/dbraw/zinc/41/35/53/1069413553.db2.gz CIWRNAYOBSFGSC-VMODYCNZSA-N 1 2 490.737 3.446 20 0 JGADLO CC[C@]1(C)CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2c[nH+]ccc2OC)C1 ZINC001305868339 1069424055 /nfs/dbraw/zinc/42/40/55/1069424055.db2.gz SSJSYJRYRXEARL-XMMPIXPASA-N 1 2 484.626 3.274 20 0 JGADLO CCC1(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001305900756 1069458146 /nfs/dbraw/zinc/45/81/46/1069458146.db2.gz WOHSWOKWFAGHFO-UHFFFAOYSA-N 1 2 451.413 3.005 20 0 JGADLO CCC1(Cn2c(COc3cc(C)ccc3C)nnc2N(C)CC[NH+]2CCOCC2)CCOCC1 ZINC001305911503 1069466097 /nfs/dbraw/zinc/46/60/97/1069466097.db2.gz FZFYPZNRBZDTLG-UHFFFAOYSA-N 1 2 471.646 3.449 20 0 JGADLO CN(CC(=O)NC(C)(C)C)c1nnc(Cc2cccnc2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001298214537 1064130877 /nfs/dbraw/zinc/13/08/77/1064130877.db2.gz RUUGFZYIKIISOT-UHFFFAOYSA-N 1 2 476.629 3.048 20 0 JGADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1CCNC(=O)c1ccco1 ZINC001298239484 1064143994 /nfs/dbraw/zinc/14/39/94/1064143994.db2.gz HBGWEBILNOEZIP-SFHVURJKSA-N 1 2 486.642 3.170 20 0 JGADLO CN(CC(F)(F)F)c1nnc(Cc2ccccn2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001298251011 1064150188 /nfs/dbraw/zinc/15/01/88/1064150188.db2.gz BIBTYEHMKPKAJK-FQEVSTJZSA-N 1 2 460.504 3.336 20 0 JGADLO CN(CC(F)(F)F)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298252701 1064152237 /nfs/dbraw/zinc/15/22/37/1064152237.db2.gz TUJSFXOTSNVZPW-UHFFFAOYSA-N 1 2 458.504 3.021 20 0 JGADLO CN(CC(F)(F)F)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298252701 1064152242 /nfs/dbraw/zinc/15/22/42/1064152242.db2.gz TUJSFXOTSNVZPW-UHFFFAOYSA-N 1 2 458.504 3.021 20 0 JGADLO C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)c1ccc(-n2cccn2)c(F)c1 ZINC001298323614 1064198864 /nfs/dbraw/zinc/19/88/64/1064198864.db2.gz ULNIAXXLOCTVQK-KKSFZXQISA-N 1 2 452.534 3.220 20 0 JGADLO C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)c1ccc(-n2cccn2)c(F)c1 ZINC001298323614 1064198869 /nfs/dbraw/zinc/19/88/69/1064198869.db2.gz ULNIAXXLOCTVQK-KKSFZXQISA-N 1 2 452.534 3.220 20 0 JGADLO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc([C@@H]2CCCCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298400183 1064236062 /nfs/dbraw/zinc/23/60/62/1064236062.db2.gz QIJRJUNNORXYQS-KRWDZBQOSA-N 1 2 485.555 3.019 20 0 JGADLO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc([C@@H]2CCCCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001298400183 1064236070 /nfs/dbraw/zinc/23/60/70/1064236070.db2.gz QIJRJUNNORXYQS-KRWDZBQOSA-N 1 2 485.555 3.019 20 0 JGADLO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)CCCC1 ZINC001298664947 1064441924 /nfs/dbraw/zinc/44/19/24/1064441924.db2.gz LRQQEBSTKWLXBZ-UHFFFAOYSA-N 1 2 457.556 3.324 20 0 JGADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(Cc3ccncc3)n1CCN(C)C(=O)OC(C)(C)C)C2 ZINC001298711946 1064518120 /nfs/dbraw/zinc/51/81/20/1064518120.db2.gz JRNLXNJHSGOFHS-UHFFFAOYSA-N 1 2 492.628 3.155 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Br)c2)n1CCCOC(F)(F)F ZINC001298733061 1064548564 /nfs/dbraw/zinc/54/85/64/1064548564.db2.gz IUPVSNUMNWYCQY-UHFFFAOYSA-N 1 2 492.340 3.403 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(C(C)(C)C)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001298734108 1064549732 /nfs/dbraw/zinc/54/97/32/1064549732.db2.gz YJYMWRLLOHIFEF-UHFFFAOYSA-N 1 2 455.525 3.485 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(F)cc2Br)n1Cc1ccoc1 ZINC001298736117 1064550893 /nfs/dbraw/zinc/55/08/93/1064550893.db2.gz AYFIFMWYNNNBHI-UHFFFAOYSA-N 1 2 464.339 3.256 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(F)cc2Br)n1CCC1CCOCC1 ZINC001298736213 1064550997 /nfs/dbraw/zinc/55/09/97/1064550997.db2.gz DDMFHHYMLXTILI-UHFFFAOYSA-N 1 2 496.425 3.432 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001298736867 1064551316 /nfs/dbraw/zinc/55/13/16/1064551316.db2.gz LNFQMJCPEZVLTM-IBGZPJMESA-N 1 2 488.608 3.252 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1CC(=O)N(C)C1CCCCC1 ZINC001298737448 1064552460 /nfs/dbraw/zinc/55/24/60/1064552460.db2.gz UONVNFPGYGVXEB-UHFFFAOYSA-N 1 2 475.037 3.158 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccsc2)n1Cc1ccccc1OC(F)F ZINC001298739122 1064554106 /nfs/dbraw/zinc/55/41/06/1064554106.db2.gz ZITXTZUGIMRBKX-UHFFFAOYSA-N 1 2 463.554 3.349 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCOC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001298739110 1064554517 /nfs/dbraw/zinc/55/45/17/1064554517.db2.gz YZCCZTNASALDLH-PWRODBHTSA-N 1 2 463.667 3.170 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1Cc1cc(Br)cs1 ZINC001298738929 1064554582 /nfs/dbraw/zinc/55/45/82/1064554582.db2.gz RWGUWSCSGFBSAJ-QGZVFWFLSA-N 1 2 470.437 3.160 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CCCc2ccccc2)n1C[C@H]1CSCCS1 ZINC001298740495 1064555215 /nfs/dbraw/zinc/55/52/15/1064555215.db2.gz KSBZJPUTOWOXFO-NRFANRHFSA-N 1 2 461.701 3.070 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(C)CCCO1 ZINC001298740861 1064555520 /nfs/dbraw/zinc/55/55/20/1064555520.db2.gz WRSDWNHTGQPECX-SANMLTNESA-N 1 2 471.646 3.492 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[C@@H]1CCCCO1 ZINC001298740882 1064556601 /nfs/dbraw/zinc/55/66/01/1064556601.db2.gz XDJNSMXJGSCUGC-SFTDATJTSA-N 1 2 492.665 3.078 20 0 JGADLO Cc1cc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)nn1-c1ccc(F)cc1F ZINC001298886372 1064694002 /nfs/dbraw/zinc/69/40/02/1064694002.db2.gz IEZBQNYTMMOVGW-IBGZPJMESA-N 1 2 456.497 3.428 20 0 JGADLO Cc1cc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)nn1-c1ccc(F)cc1F ZINC001298886372 1064694009 /nfs/dbraw/zinc/69/40/09/1064694009.db2.gz IEZBQNYTMMOVGW-IBGZPJMESA-N 1 2 456.497 3.428 20 0 JGADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC(=O)c2cccc(CO)c2)CC1 ZINC001299048488 1064839413 /nfs/dbraw/zinc/83/94/13/1064839413.db2.gz HKNUONDQOHLPSO-UHFFFAOYSA-N 1 2 455.555 3.363 20 0 JGADLO CNC(=O)[C@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001299064000 1064860551 /nfs/dbraw/zinc/86/05/51/1064860551.db2.gz CNLOOTPEGPDTNQ-VXKWHMMOSA-N 1 2 498.672 3.108 20 0 JGADLO CNC(=O)[C@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001299064000 1064860560 /nfs/dbraw/zinc/86/05/60/1064860560.db2.gz CNLOOTPEGPDTNQ-VXKWHMMOSA-N 1 2 498.672 3.108 20 0 JGADLO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001299087266 1064892913 /nfs/dbraw/zinc/89/29/13/1064892913.db2.gz RDRCJAYTCHYGDO-LJQANCHMSA-N 1 2 468.005 3.382 20 0 JGADLO COc1cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2nc(C)cs2)ccc1OC(C)C ZINC001299841537 1065038140 /nfs/dbraw/zinc/03/81/40/1065038140.db2.gz XCPHPAQMIJLIFA-UHFFFAOYSA-N 1 2 486.642 3.323 20 0 JGADLO COc1cc(CCn2c(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)ccc1C ZINC001299866991 1065084885 /nfs/dbraw/zinc/08/48/85/1065084885.db2.gz DMCPLWHFORJNPA-DEOSSOPVSA-N 1 2 498.716 3.367 20 0 JGADLO COc1cc(CN(C)c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)ccc1OC(F)F ZINC001299880686 1065101353 /nfs/dbraw/zinc/10/13/53/1065101353.db2.gz JOTFKMFQIYLNJG-LJQANCHMSA-N 1 2 495.571 3.487 20 0 JGADLO COc1cc(CN(C)c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)ccc1OC(F)F ZINC001299880686 1065101359 /nfs/dbraw/zinc/10/13/59/1065101359.db2.gz JOTFKMFQIYLNJG-LJQANCHMSA-N 1 2 495.571 3.487 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CCCCCO ZINC001299908840 1065154016 /nfs/dbraw/zinc/15/40/16/1065154016.db2.gz FBXYNFIBXUKBTL-UHFFFAOYSA-N 1 2 474.993 3.388 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2cc(C(C)(C)C)no2)c1 ZINC001299931916 1065197011 /nfs/dbraw/zinc/19/70/11/1065197011.db2.gz ISMLHQJMVKEJOW-UHFFFAOYSA-N 1 2 484.601 3.065 20 0 JGADLO COc1ccc(Br)c(-c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccoc2)c1 ZINC001299968431 1065251870 /nfs/dbraw/zinc/25/18/70/1065251870.db2.gz DIFDANHZWQMARI-UHFFFAOYSA-N 1 2 476.375 3.126 20 0 JGADLO COc1ccc([C@@H](C)N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001299987045 1065289169 /nfs/dbraw/zinc/28/91/69/1065289169.db2.gz OKYDSWAEBVSOKV-QUCCMNQESA-N 1 2 484.626 3.283 20 0 JGADLO COc1ccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2cc[nH+]c(N3CCCCC3)c2)cc1OC ZINC001299992922 1065299960 /nfs/dbraw/zinc/29/99/60/1065299960.db2.gz WNFLVCZKRXZRFS-GOSISDBHSA-N 1 2 493.612 3.096 20 0 JGADLO Cc1ccc(CNC(=O)C2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCOC[C@H]3C)CC2)cc1 ZINC001492206045 1065320720 /nfs/dbraw/zinc/32/07/20/1065320720.db2.gz SWQRDZODLJDUSB-OAQYLSRUSA-N 1 2 482.673 3.138 20 0 JGADLO Cc1ccc(CNC(=O)C2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCOC[C@H]3C)CC2)cc1 ZINC001492206045 1065320729 /nfs/dbraw/zinc/32/07/29/1065320729.db2.gz SWQRDZODLJDUSB-OAQYLSRUSA-N 1 2 482.673 3.138 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1C ZINC001492337189 1065404447 /nfs/dbraw/zinc/40/44/47/1065404447.db2.gz GTJGRBDUQHPIHZ-LEWJYISDSA-N 1 2 457.619 3.198 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCN(c4cccc[nH+]4)CC3)n2C[C@](C)(O)C(C)C)cc1 ZINC001492386155 1065454673 /nfs/dbraw/zinc/45/46/73/1065454673.db2.gz YEAWOOSJXHEHGW-VWLOTQADSA-N 1 2 450.587 3.294 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1C ZINC001492385949 1065454702 /nfs/dbraw/zinc/45/47/02/1065454702.db2.gz WERBFCXAUWUDHO-JOCHJYFZSA-N 1 2 489.686 3.077 20 0 JGADLO Cc1ccc(SCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001492469510 1065518667 /nfs/dbraw/zinc/51/86/67/1065518667.db2.gz MVFMKKVYXSXVMH-UHFFFAOYSA-N 1 2 465.627 3.239 20 0 JGADLO CO[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+]2CCOCC2)CC[C@H]1C ZINC001300803772 1065535158 /nfs/dbraw/zinc/53/51/58/1065535158.db2.gz JTMRBCDBUUZMER-OWCLPIDISA-N 1 2 484.464 3.351 20 0 JGADLO CO[C@H]1COCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC[NH+]1CCOCC1 ZINC001300855387 1065604012 /nfs/dbraw/zinc/60/40/12/1065604012.db2.gz FIZFKFXFDAIRCB-UZLBHIALSA-N 1 2 484.428 3.072 20 0 JGADLO CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC[NH+]1CCOCC1 ZINC001300855385 1065604083 /nfs/dbraw/zinc/60/40/83/1065604083.db2.gz FIZFKFXFDAIRCB-OXJNMPFZSA-N 1 2 484.428 3.072 20 0 JGADLO CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC[NH+]1CCOCC1 ZINC001300855386 1065604136 /nfs/dbraw/zinc/60/41/36/1065604136.db2.gz FIZFKFXFDAIRCB-OXQOHEQNSA-N 1 2 484.428 3.072 20 0 JGADLO COCC(C)(C)Cn1c(-c2cc(OC)ccc2Br)nnc1N(C)CC[NH+]1CCOCC1 ZINC001300933311 1065733520 /nfs/dbraw/zinc/73/35/20/1065733520.db2.gz SAZMNTQQPXPYOC-UHFFFAOYSA-N 1 2 496.450 3.157 20 0 JGADLO COC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)OC ZINC001301027986 1065865661 /nfs/dbraw/zinc/86/56/61/1065865661.db2.gz WJIVABJKZLDOOX-FQEVSTJZSA-N 1 2 471.005 3.207 20 0 JGADLO C[C@@H](C(=O)N[C@](C)(CO)c1cccc(C(F)(F)F)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001301077995 1065927827 /nfs/dbraw/zinc/92/78/27/1065927827.db2.gz JBNFFQIEXNCHHR-KSFYIVLOSA-N 1 2 453.480 3.379 20 0 JGADLO COC[C@@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c[nH+]ccc2OC)C1 ZINC001301232584 1066051426 /nfs/dbraw/zinc/05/14/26/1066051426.db2.gz QBRWSEPTTFKKON-DVECYGJZSA-N 1 2 459.591 3.024 20 0 JGADLO COC[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNc2cccc[nH+]2)C1 ZINC001301263389 1066078930 /nfs/dbraw/zinc/07/89/30/1066078930.db2.gz CDKFSBRGOIEPRU-IBGZPJMESA-N 1 2 484.626 3.109 20 0 JGADLO COC[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001301264043 1066079445 /nfs/dbraw/zinc/07/94/45/1066079445.db2.gz FGBBCJXOQWHSLJ-GHTZIAJQSA-N 1 2 487.626 3.107 20 0 JGADLO COCCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001301431563 1066229696 /nfs/dbraw/zinc/22/96/96/1066229696.db2.gz WSJHZBUWHBXMNU-HXUWFJFHSA-N 1 2 488.702 3.126 20 0 JGADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccccc2F)CC1 ZINC001301981180 1066288937 /nfs/dbraw/zinc/28/89/37/1066288937.db2.gz JRYWISKLQZRQPV-FQEVSTJZSA-N 1 2 470.637 3.381 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H](C)C2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001301984477 1066294545 /nfs/dbraw/zinc/29/45/45/1066294545.db2.gz PKPSDUWMOKKPDI-JTOYRKQZSA-N 1 2 471.646 3.476 20 0 JGADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001301988333 1066303991 /nfs/dbraw/zinc/30/39/91/1066303991.db2.gz CPJBGTGDHICCNE-MOPGFXCFSA-N 1 2 459.660 3.252 20 0 JGADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001301988333 1066304004 /nfs/dbraw/zinc/30/40/04/1066304004.db2.gz CPJBGTGDHICCNE-MOPGFXCFSA-N 1 2 459.660 3.252 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001301991570 1066311723 /nfs/dbraw/zinc/31/17/23/1066311723.db2.gz UVVSDSNAEFSVHU-XJUOHMSHSA-N 1 2 487.645 3.079 20 0 JGADLO COCC[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c[nH+]ccc2OC)C1 ZINC001301505194 1066332639 /nfs/dbraw/zinc/33/26/39/1066332639.db2.gz KVQGIZDFOSMACK-AWEZNQCLSA-N 1 2 461.364 3.350 20 0 JGADLO COCC[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2c[nH+]ccc2OC)C1 ZINC001301505195 1066332716 /nfs/dbraw/zinc/33/27/16/1066332716.db2.gz KVQGIZDFOSMACK-CQSZACIVSA-N 1 2 461.364 3.350 20 0 JGADLO COc1cccc([C@H]2CN(C(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)CC[NH2+]2)c1 ZINC001302003411 1066338523 /nfs/dbraw/zinc/33/85/23/1066338523.db2.gz QQKXTGASCOBZCC-HSZRJFAPSA-N 1 2 451.548 3.283 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302012129 1066355547 /nfs/dbraw/zinc/35/55/47/1066355547.db2.gz YFXWTKKWTFWDKL-CTNGQTDRSA-N 1 2 472.634 3.154 20 0 JGADLO CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCn4c[nH+]cc43)c2)cc1 ZINC001301532076 1066360681 /nfs/dbraw/zinc/36/06/81/1066360681.db2.gz HQULQDZNBMUMAZ-OAQYLSRUSA-N 1 2 454.552 3.290 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302025947 1066385191 /nfs/dbraw/zinc/38/51/91/1066385191.db2.gz DTVRLIXHJAOYGD-OAHLLOKOSA-N 1 2 462.422 3.012 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302042257 1066418512 /nfs/dbraw/zinc/41/85/12/1066418512.db2.gz JOAUBUFTSLJNDF-FGTMMUONSA-N 1 2 479.572 3.125 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1CC[N@H+]1CCOC[C@H]1C ZINC001302042257 1066418518 /nfs/dbraw/zinc/41/85/18/1066418518.db2.gz JOAUBUFTSLJNDF-FGTMMUONSA-N 1 2 479.572 3.125 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302044021 1066424097 /nfs/dbraw/zinc/42/40/97/1066424097.db2.gz RNARSEAXVYRSAI-FGTMMUONSA-N 1 2 479.572 3.125 20 0 JGADLO CC(C)(C)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302047589 1066430906 /nfs/dbraw/zinc/43/09/06/1066430906.db2.gz AIGHNVACMFKZAS-UHFFFAOYSA-N 1 2 474.675 3.413 20 0 JGADLO COCCCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001301600077 1066443127 /nfs/dbraw/zinc/44/31/27/1066443127.db2.gz OSAAVVHYDYMPMQ-GOSISDBHSA-N 1 2 486.567 3.288 20 0 JGADLO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)c1ccccc1C(F)(F)F ZINC001302058275 1066456295 /nfs/dbraw/zinc/45/62/95/1066456295.db2.gz BJTUEQMOFMDVCT-DLBZAZTESA-N 1 2 453.465 3.167 20 0 JGADLO COCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001301629771 1066490537 /nfs/dbraw/zinc/49/05/37/1066490537.db2.gz QDHHJLURBWMKSX-UHFFFAOYSA-N 1 2 487.402 3.474 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1Cc1ccc(O)cc1 ZINC001302083076 1066504170 /nfs/dbraw/zinc/50/41/70/1066504170.db2.gz FDINLJASRBOZBO-HXUWFJFHSA-N 1 2 495.628 3.304 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1ccc(Cl)cc1F ZINC001302084075 1066505871 /nfs/dbraw/zinc/50/58/71/1066505871.db2.gz JEZBUPFNPGLFIG-INIZCTEOSA-N 1 2 489.983 3.268 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCc1cccc(F)c1 ZINC001302085992 1066510331 /nfs/dbraw/zinc/51/03/31/1066510331.db2.gz XLWMUCXQCLPPPV-LJQANCHMSA-N 1 2 454.550 3.106 20 0 JGADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)(C)C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301648532 1066513561 /nfs/dbraw/zinc/51/35/61/1066513561.db2.gz QAYINOGGZLGQEO-PXNSSMCTSA-N 1 2 462.589 3.461 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1Cc1ccncc1Cl ZINC001302090815 1066518434 /nfs/dbraw/zinc/51/84/34/1066518434.db2.gz XYYJMYAZWSVQBH-MRXNPFEDSA-N 1 2 492.049 3.186 20 0 JGADLO COCCCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001301657161 1066526314 /nfs/dbraw/zinc/52/63/14/1066526314.db2.gz GSHNROWJDWYYRR-NRFANRHFSA-N 1 2 486.686 3.048 20 0 JGADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(CCCc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301659287 1066528068 /nfs/dbraw/zinc/52/80/68/1066528068.db2.gz BULVMCKEZKSRCY-DEOSSOPVSA-N 1 2 475.641 3.267 20 0 JGADLO C[C@@H]1Cn2nc(C(=O)N3CC[NH2+][C@H](c4ccc(Cl)cc4)C3)cc2CN1C(=O)OC(C)(C)C ZINC001301660262 1066530218 /nfs/dbraw/zinc/53/02/18/1066530218.db2.gz CQJPEBJNZJDWBQ-QRWLVFNGSA-N 1 2 459.978 3.462 20 0 JGADLO COCCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001301683235 1066565926 /nfs/dbraw/zinc/56/59/26/1066565926.db2.gz MQMCSZHKKGSJNO-SFHVURJKSA-N 1 2 487.004 3.434 20 0 JGADLO COCCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001301682883 1066566076 /nfs/dbraw/zinc/56/60/76/1066566076.db2.gz JTAIFLWGJCYNSF-FDDCHVKYSA-N 1 2 496.077 3.362 20 0 JGADLO COCCOc1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001302130196 1066573916 /nfs/dbraw/zinc/57/39/16/1066573916.db2.gz HXVILJPOSZTVDW-UHFFFAOYSA-N 1 2 450.587 3.272 20 0 JGADLO COCCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001301697887 1066587025 /nfs/dbraw/zinc/58/70/25/1066587025.db2.gz GZWTUGDCQMDTPD-QHCPKHFHSA-N 1 2 450.587 3.113 20 0 JGADLO COCCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001301704873 1066594220 /nfs/dbraw/zinc/59/42/20/1066594220.db2.gz VLKAHOFYLCBRDR-GOSISDBHSA-N 1 2 471.005 3.273 20 0 JGADLO COCCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001301704874 1066594318 /nfs/dbraw/zinc/59/43/18/1066594318.db2.gz VLKAHOFYLCBRDR-SFHVURJKSA-N 1 2 471.005 3.273 20 0 JGADLO COCCO[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302150055 1066601020 /nfs/dbraw/zinc/60/10/20/1066601020.db2.gz CCCMHCXPTUZAPW-OAQYLSRUSA-N 1 2 450.587 3.395 20 0 JGADLO COCCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302167407 1066633970 /nfs/dbraw/zinc/63/39/70/1066633970.db2.gz UNTLGKKKKIZSAA-FQEVSTJZSA-N 1 2 456.978 3.350 20 0 JGADLO CC(C)(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1CCNC(=O)C1CC1 ZINC001302177119 1066652369 /nfs/dbraw/zinc/65/23/69/1066652369.db2.gz VQSOVEIKTUHTIS-UHFFFAOYSA-N 1 2 489.064 3.247 20 0 JGADLO COCCOC1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001302182952 1066660519 /nfs/dbraw/zinc/66/05/19/1066660519.db2.gz AKRCZCIBSUVNAD-UHFFFAOYSA-N 1 2 468.577 3.149 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N(C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC001301762728 1066701521 /nfs/dbraw/zinc/70/15/21/1066701521.db2.gz APHXRHKGIZWUFY-KRWDZBQOSA-N 1 2 472.540 3.486 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(C3CCCC3)nnc2N(C)[C@@H](C)CCc2ccc(O)cc2)CC1 ZINC001301767374 1066709359 /nfs/dbraw/zinc/70/93/59/1066709359.db2.gz RRMLBVKYSRNDLN-FQEVSTJZSA-N 1 2 468.646 3.263 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2C[C@H](c3ccccc3)C[C@H]2C)CC1 ZINC001301771365 1066714813 /nfs/dbraw/zinc/71/48/13/1066714813.db2.gz UDGQGMAXRALJLJ-NFBKMPQASA-N 1 2 452.647 3.413 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3cccc(C)c3)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001301774564 1066720411 /nfs/dbraw/zinc/72/04/11/1066720411.db2.gz DISHPAWIWZAOSL-NRFANRHFSA-N 1 2 468.646 3.202 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CCCc3ccccc3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001301774577 1066720504 /nfs/dbraw/zinc/72/05/04/1066720504.db2.gz DKBJFMBEPLOYJY-UHFFFAOYSA-N 1 2 492.590 3.396 20 0 JGADLO CC(=O)Nc1ccc(CCn2c(C(C)C)nnc2N2CC[NH+](Cc3cc(C)no3)CC2)cc1 ZINC001301777241 1066723217 /nfs/dbraw/zinc/72/32/17/1066723217.db2.gz RPTPCSOWAHEXHR-UHFFFAOYSA-N 1 2 451.575 3.221 20 0 JGADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC001301781775 1066731548 /nfs/dbraw/zinc/73/15/48/1066731548.db2.gz DGDGZVBRLLEREJ-UHFFFAOYSA-N 1 2 458.971 3.418 20 0 JGADLO CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCn3c[nH+]cc3-c3ccccc3)s2)CC1 ZINC001301782510 1066731831 /nfs/dbraw/zinc/73/18/31/1066731831.db2.gz OASYXOUCZHRTBE-UHFFFAOYSA-N 1 2 458.609 3.462 20 0 JGADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001301783406 1066731958 /nfs/dbraw/zinc/73/19/58/1066731958.db2.gz YVQNOAWBVMQNDI-LJQANCHMSA-N 1 2 452.942 3.247 20 0 JGADLO COCCN(CC1CC1)c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001301795716 1066746765 /nfs/dbraw/zinc/74/67/65/1066746765.db2.gz KCXWDDVMQLNHOA-OAHLLOKOSA-N 1 2 484.464 3.353 20 0 JGADLO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301819794 1066781117 /nfs/dbraw/zinc/78/11/17/1066781117.db2.gz FPOOMTJMDIPKDB-GOSISDBHSA-N 1 2 453.978 3.213 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302248536 1066781523 /nfs/dbraw/zinc/78/15/23/1066781523.db2.gz PSVFAADWURAFEP-MMOPVJDHSA-N 1 2 482.000 3.152 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1CC[N@H+]1CCOC[C@H]1C ZINC001302248536 1066781525 /nfs/dbraw/zinc/78/15/25/1066781525.db2.gz PSVFAADWURAFEP-MMOPVJDHSA-N 1 2 482.000 3.152 20 0 JGADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301824021 1066786322 /nfs/dbraw/zinc/78/63/22/1066786322.db2.gz KKVOWAVDUIQKHW-JRGCBEDISA-N 1 2 476.572 3.206 20 0 JGADLO COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001301828304 1066794150 /nfs/dbraw/zinc/79/41/50/1066794150.db2.gz YGOWFBXQEROCHV-HSZRJFAPSA-N 1 2 454.663 3.494 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001302258382 1066803065 /nfs/dbraw/zinc/80/30/65/1066803065.db2.gz AZZHONQTOZGGFU-NWSQWKLXSA-N 1 2 472.634 3.153 20 0 JGADLO CC(=O)NC1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001301835534 1066804116 /nfs/dbraw/zinc/80/41/16/1066804116.db2.gz PVEKBBMZKVYJMJ-NRFANRHFSA-N 1 2 498.672 3.251 20 0 JGADLO COCCn1c(Cc2ccccc2F)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001301836908 1066808327 /nfs/dbraw/zinc/80/83/27/1066808327.db2.gz SFZGKTJLMUWCFY-HXUWFJFHSA-N 1 2 459.591 3.226 20 0 JGADLO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301859678 1066843832 /nfs/dbraw/zinc/84/38/32/1066843832.db2.gz ZDRRLOTUOKQSIY-UTKZUKDTSA-N 1 2 471.556 3.207 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301871207 1066864601 /nfs/dbraw/zinc/86/46/01/1066864601.db2.gz DYCRPATURJYNLX-QFIPXVFZSA-N 1 2 491.640 3.336 20 0 JGADLO CC(=O)NCC1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC001301871459 1066865409 /nfs/dbraw/zinc/86/54/09/1066865409.db2.gz CBIDJROGIWAKMF-HSZRJFAPSA-N 1 2 468.646 3.002 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1c[nH+]ccc1OC ZINC001302289886 1066868362 /nfs/dbraw/zinc/86/83/62/1066868362.db2.gz MSTJPFAHQUPZRU-UWJYYQICSA-N 1 2 459.591 3.238 20 0 JGADLO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCCNc1cccc[nH+]1 ZINC001302329662 1066930180 /nfs/dbraw/zinc/93/01/80/1066930180.db2.gz JBXSKLJRLWKIPM-NNMXDRDESA-N 1 2 469.634 3.186 20 0 JGADLO C[N@@H+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C[C@H]1CO ZINC001302339876 1066938216 /nfs/dbraw/zinc/93/82/16/1066938216.db2.gz LKMWRMNQBDBNKV-IBGZPJMESA-N 1 2 455.356 3.050 20 0 JGADLO C[N@H+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C[C@H]1CO ZINC001302339876 1066938219 /nfs/dbraw/zinc/93/82/19/1066938219.db2.gz LKMWRMNQBDBNKV-IBGZPJMESA-N 1 2 455.356 3.050 20 0 JGADLO CC(C)(O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001302362410 1066952716 /nfs/dbraw/zinc/95/27/16/1066952716.db2.gz LKWPVCQICHRNDQ-HXUWFJFHSA-N 1 2 464.010 3.145 20 0 JGADLO CC(C)=CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001302384079 1066967458 /nfs/dbraw/zinc/96/74/58/1066967458.db2.gz PJSJKHRZCOFGQA-JOCHJYFZSA-N 1 2 457.644 3.167 20 0 JGADLO CC(C)=CCCn1c(CN2CCCC2=O)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001302389536 1066970138 /nfs/dbraw/zinc/97/01/38/1066970138.db2.gz VTZFOAKYMQEZLD-HXUWFJFHSA-N 1 2 472.659 3.328 20 0 JGADLO COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3cccnc3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001301941293 1066988967 /nfs/dbraw/zinc/98/89/67/1066988967.db2.gz HVCPPYNJWOGLBK-IRLDBZIGSA-N 1 2 477.613 3.044 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001302410900 1066994997 /nfs/dbraw/zinc/99/49/97/1066994997.db2.gz WEKURWCGFDDBGT-PKTZIBPZSA-N 1 2 482.673 3.390 20 0 JGADLO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001302422796 1067009719 /nfs/dbraw/zinc/00/97/19/1067009719.db2.gz WFEILMAHSLSEGQ-UHFFFAOYSA-N 1 2 479.604 3.258 20 0 JGADLO CS(=O)(=O)c1cccc(-c2nnc(N3CCC(F)(F)CC3)n2CCCNc2cccc[nH+]2)c1 ZINC001302430164 1067016442 /nfs/dbraw/zinc/01/64/42/1067016442.db2.gz PCPBCPFGGUSLCN-UHFFFAOYSA-N 1 2 476.553 3.481 20 0 JGADLO CS(=O)(=O)[C@H]1CCCCN(c2nnc(CCCc3ccccc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001302433338 1067024368 /nfs/dbraw/zinc/02/43/68/1067024368.db2.gz APWGIYXVRBYQLD-QHCPKHFHSA-N 1 2 471.671 3.119 20 0 JGADLO CS(=O)(=O)[C@H]1CCCCN(c2nnc(CCCc3ccccc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001302433338 1067024379 /nfs/dbraw/zinc/02/43/79/1067024379.db2.gz APWGIYXVRBYQLD-QHCPKHFHSA-N 1 2 471.671 3.119 20 0 JGADLO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001302456156 1067057662 /nfs/dbraw/zinc/05/76/62/1067057662.db2.gz RFDLTADOWCBOMB-PMACEKPBSA-N 1 2 478.588 3.309 20 0 JGADLO CC(C)C(=O)NCCN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001302461946 1067065191 /nfs/dbraw/zinc/06/51/91/1067065191.db2.gz ZCNSTEXMNHHUNM-UHFFFAOYSA-N 1 2 455.582 3.448 20 0 JGADLO CC(C)C(=O)NCCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001302466431 1067070276 /nfs/dbraw/zinc/07/02/76/1067070276.db2.gz IMUQGYMSEJTMDE-GOSISDBHSA-N 1 2 483.567 3.274 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CCCOCC3)n2CC[N@@H+]2CCOCC2(C)C)c1C ZINC001304025967 1067072226 /nfs/dbraw/zinc/07/22/26/1067072226.db2.gz KCTULENJTOVCTR-OAQYLSRUSA-N 1 2 457.619 3.372 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CCCOCC3)n2CC[N@H+]2CCOCC2(C)C)c1C ZINC001304025967 1067072236 /nfs/dbraw/zinc/07/22/36/1067072236.db2.gz KCTULENJTOVCTR-OAQYLSRUSA-N 1 2 457.619 3.372 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCS(=O)(=O)C2)c1C ZINC001304031319 1067079245 /nfs/dbraw/zinc/07/92/45/1067079245.db2.gz SQZIVDATJVFAEU-FCHUYYIVSA-N 1 2 489.686 3.248 20 0 JGADLO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(Cc1cccc(F)c1)C(C)C)[NH+]1CCOCC1 ZINC001302509798 1067115940 /nfs/dbraw/zinc/11/59/40/1067115940.db2.gz GNZFXBIVIVZSGB-HSZRJFAPSA-N 1 2 486.636 3.425 20 0 JGADLO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1)[NH+]1CCOCC1 ZINC001302510771 1067119502 /nfs/dbraw/zinc/11/95/02/1067119502.db2.gz NVBLQHIGRMFJGI-URXFXBBRSA-N 1 2 498.672 3.034 20 0 JGADLO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001302511486 1067122305 /nfs/dbraw/zinc/12/23/05/1067122305.db2.gz TUDQHBBGHLPDGF-FQEVSTJZSA-N 1 2 490.656 3.150 20 0 JGADLO Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)cnn1C ZINC001304082073 1067128242 /nfs/dbraw/zinc/12/82/42/1067128242.db2.gz UBSVKILGXWFAGJ-LJQANCHMSA-N 1 2 485.608 3.346 20 0 JGADLO Cc1c(CN(C)c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)cnn1C ZINC001304082073 1067128249 /nfs/dbraw/zinc/12/82/49/1067128249.db2.gz UBSVKILGXWFAGJ-LJQANCHMSA-N 1 2 485.608 3.346 20 0 JGADLO CC(C)[C@H](Cn1c(C2CCC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001302515570 1067133779 /nfs/dbraw/zinc/13/37/79/1067133779.db2.gz LDVZFTIBVZGVLP-SFHVURJKSA-N 1 2 457.541 3.250 20 0 JGADLO CSC(C)(C)Cn1c(-c2ccccc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001302518848 1067138585 /nfs/dbraw/zinc/13/85/85/1067138585.db2.gz PAANRPHACLIDHE-JOCHJYFZSA-N 1 2 472.703 3.318 20 0 JGADLO Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1 ZINC001304104176 1067145114 /nfs/dbraw/zinc/14/51/14/1067145114.db2.gz HAUHZZUEHXFXBR-QFIPXVFZSA-N 1 2 452.580 3.274 20 0 JGADLO Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1 ZINC001304104176 1067145122 /nfs/dbraw/zinc/14/51/22/1067145122.db2.gz HAUHZZUEHXFXBR-QFIPXVFZSA-N 1 2 452.580 3.274 20 0 JGADLO CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3c[nH]c(C(C)C)[nH+]3)cc2)cc1 ZINC001304106185 1067148346 /nfs/dbraw/zinc/14/83/46/1067148346.db2.gz UWMVAGFWNKHQPU-UHFFFAOYSA-N 1 2 454.552 3.144 20 0 JGADLO CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3c[nH+]c(C(C)C)[nH]3)cc2)cc1 ZINC001304106185 1067148351 /nfs/dbraw/zinc/14/83/51/1067148351.db2.gz UWMVAGFWNKHQPU-UHFFFAOYSA-N 1 2 454.552 3.144 20 0 JGADLO CSC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001302533259 1067162489 /nfs/dbraw/zinc/16/24/89/1067162489.db2.gz IARVKBSKOWTBBJ-OAQYLSRUSA-N 1 2 492.759 3.303 20 0 JGADLO Cc1cccc(C)c1NC(=O)CN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304135205 1067173731 /nfs/dbraw/zinc/17/37/31/1067173731.db2.gz DVKNCFHADDWQTC-NRFANRHFSA-N 1 2 484.645 3.322 20 0 JGADLO CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)[nH+]c2)cn1 ZINC001302554198 1067192307 /nfs/dbraw/zinc/19/23/07/1067192307.db2.gz JKVWUEFXHFTUBA-HXUWFJFHSA-N 1 2 450.591 3.231 20 0 JGADLO CS[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001302566041 1067205284 /nfs/dbraw/zinc/20/52/84/1067205284.db2.gz CETJACHATXYZJC-GOSISDBHSA-N 1 2 453.616 3.076 20 0 JGADLO CS[C@@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001302566042 1067205454 /nfs/dbraw/zinc/20/54/54/1067205454.db2.gz CETJACHATXYZJC-SFHVURJKSA-N 1 2 453.616 3.076 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001304168278 1067214717 /nfs/dbraw/zinc/21/47/17/1067214717.db2.gz GCXFTQAOPDJUJB-FGZHOGPDSA-N 1 2 457.619 3.200 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001304168276 1067214794 /nfs/dbraw/zinc/21/47/94/1067214794.db2.gz GCXFTQAOPDJUJB-FCHUYYIVSA-N 1 2 457.619 3.200 20 0 JGADLO CS[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302583603 1067222506 /nfs/dbraw/zinc/22/25/06/1067222506.db2.gz MBDRVRXGFLTNMB-NRFANRHFSA-N 1 2 470.687 3.467 20 0 JGADLO CS[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302588177 1067225363 /nfs/dbraw/zinc/22/53/63/1067225363.db2.gz JILZIENLUCKZIP-RBBKRZOGSA-N 1 2 499.729 3.175 20 0 JGADLO CC(C)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302602676 1067239165 /nfs/dbraw/zinc/23/91/65/1067239165.db2.gz JKJIBAUWXJFYBM-UHFFFAOYSA-N 1 2 460.648 3.239 20 0 JGADLO CSc1ccc(Br)cc1CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC001304200203 1067249657 /nfs/dbraw/zinc/24/96/57/1067249657.db2.gz TVEUZLDYFGVOIU-UHFFFAOYSA-N 1 2 452.418 3.277 20 0 JGADLO CC(C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001302644066 1067272742 /nfs/dbraw/zinc/27/27/42/1067272742.db2.gz KLPOWPIEJZHEHR-UHFFFAOYSA-N 1 2 460.508 3.477 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C(C)C)n3Cc3ccc(C(N)=O)cc3)CC2)nc(C(C)C)[nH+]1 ZINC001304244956 1067279554 /nfs/dbraw/zinc/27/95/54/1067279554.db2.gz AMASEVPWRSCWNS-UHFFFAOYSA-N 1 2 462.602 3.097 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC(C)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC001304245024 1067279885 /nfs/dbraw/zinc/27/98/85/1067279885.db2.gz CTLICXUXCUYZCB-UHFFFAOYSA-N 1 2 464.565 3.010 20 0 JGADLO Cc1cc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCOCC(F)F)CC2)nc(C(C)C)[nH+]1 ZINC001304245326 1067280646 /nfs/dbraw/zinc/28/06/46/1067280646.db2.gz LFCOJOWTFFQMHR-SFHVURJKSA-N 1 2 479.576 3.002 20 0 JGADLO Cc1cc(N2CCN(c3nnc(Cc4ccsc4)n3CCC(=O)NC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245294 1067280682 /nfs/dbraw/zinc/28/06/82/1067280682.db2.gz KJMUWSDCPBHWNF-UHFFFAOYSA-N 1 2 496.685 3.394 20 0 JGADLO Cc1cc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCOCC(F)F)CC2)nc(C(C)C)[nH+]1 ZINC001304245325 1067280721 /nfs/dbraw/zinc/28/07/21/1067280721.db2.gz LFCOJOWTFFQMHR-GOSISDBHSA-N 1 2 479.576 3.002 20 0 JGADLO CC(C)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001302661745 1067288942 /nfs/dbraw/zinc/28/89/42/1067288942.db2.gz VSBNVBPPRJTRNX-HXUWFJFHSA-N 1 2 485.633 3.175 20 0 JGADLO CC(C)c1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001302661744 1067288946 /nfs/dbraw/zinc/28/89/46/1067288946.db2.gz VSBNVBPPRJTRNX-FQEVSTJZSA-N 1 2 485.633 3.175 20 0 JGADLO CS[C@H]1CCCCN(c2nnc(COc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001302676481 1067301561 /nfs/dbraw/zinc/30/15/61/1067301561.db2.gz DLPKVQQOQDHZJW-OALUTQOASA-N 1 2 463.623 3.439 20 0 JGADLO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001302678544 1067304296 /nfs/dbraw/zinc/30/42/96/1067304296.db2.gz OKJMWAOKTYENQI-UYAOXDASSA-N 1 2 463.673 3.238 20 0 JGADLO CS[C@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001302678543 1067304364 /nfs/dbraw/zinc/30/43/64/1067304364.db2.gz OKJMWAOKTYENQI-QUCCMNQESA-N 1 2 463.673 3.238 20 0 JGADLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCc1ccccc1Cl ZINC001302680900 1067306440 /nfs/dbraw/zinc/30/64/40/1067306440.db2.gz RNKHLLJFVLMTRQ-IBGZPJMESA-N 1 2 459.038 3.431 20 0 JGADLO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001304271843 1067307695 /nfs/dbraw/zinc/30/76/95/1067307695.db2.gz DHOBZOYAVZHJSR-REWPJTCUSA-N 1 2 484.645 3.414 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCc1cccc(F)c1 ZINC001302693863 1067318801 /nfs/dbraw/zinc/31/88/01/1067318801.db2.gz XRBRIOLSIAESJP-HSZRJFAPSA-N 1 2 458.626 3.015 20 0 JGADLO CC(C)c1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302703807 1067326577 /nfs/dbraw/zinc/32/65/77/1067326577.db2.gz BRYMSBWLXUJRER-FXAWDEMLSA-N 1 2 465.545 3.302 20 0 JGADLO CC(C)c1nnc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302703807 1067326591 /nfs/dbraw/zinc/32/65/91/1067326591.db2.gz BRYMSBWLXUJRER-FXAWDEMLSA-N 1 2 465.545 3.302 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 ZINC001304291605 1067339661 /nfs/dbraw/zinc/33/96/61/1067339661.db2.gz OAYNWDBWUHBBRE-JOCHJYFZSA-N 1 2 489.686 3.077 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001304295435 1067344656 /nfs/dbraw/zinc/34/46/56/1067344656.db2.gz GOGLVBACDMUJJQ-JGCGQSQUSA-N 1 2 465.664 3.188 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@H]2C)o1 ZINC001304296596 1067345624 /nfs/dbraw/zinc/34/56/24/1067345624.db2.gz RZBKVERYZYVTOZ-GOSISDBHSA-N 1 2 466.586 3.259 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@H]2C)o1 ZINC001304296596 1067345637 /nfs/dbraw/zinc/34/56/37/1067345637.db2.gz RZBKVERYZYVTOZ-GOSISDBHSA-N 1 2 466.586 3.259 20 0 JGADLO CC(C)[C@@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302747558 1067355638 /nfs/dbraw/zinc/35/56/38/1067355638.db2.gz OHWJYNYXDLNILQ-CGXNFDGLSA-N 1 2 476.666 3.394 20 0 JGADLO Cc1ccc(-c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCNC(=O)OC(C)(C)C)o1 ZINC001304316698 1067364421 /nfs/dbraw/zinc/36/44/21/1067364421.db2.gz NZXQXXIUNKVXRN-UHFFFAOYSA-N 1 2 467.574 3.395 20 0 JGADLO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)o1 ZINC001304321989 1067369423 /nfs/dbraw/zinc/36/94/23/1067369423.db2.gz IQKBWNHQLSGGBE-ROUUACIJSA-N 1 2 474.606 3.013 20 0 JGADLO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)o1 ZINC001304321989 1067369436 /nfs/dbraw/zinc/36/94/36/1067369436.db2.gz IQKBWNHQLSGGBE-ROUUACIJSA-N 1 2 474.606 3.013 20 0 JGADLO Cc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCS(=O)(=O)Cc2ccccc2)o1 ZINC001304322313 1067370004 /nfs/dbraw/zinc/37/00/04/1067370004.db2.gz QCBQWYGKFOSUQV-UHFFFAOYSA-N 1 2 471.627 3.382 20 0 JGADLO Cc1ccc(-c2nnc(N3CC[NH+](C[C@@H](O)c4ccccc4)CC3)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001304324651 1067373199 /nfs/dbraw/zinc/37/31/99/1067373199.db2.gz QRPBIYWMBBVDJL-JTMIDMFHSA-N 1 2 485.654 3.249 20 0 JGADLO Cc1ccc([C@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNc2cccc[nH+]2)o1 ZINC001304331349 1067378826 /nfs/dbraw/zinc/37/88/26/1067378826.db2.gz MRGBWRUWIQZAHD-ZWKOTPCHSA-N 1 2 473.603 3.028 20 0 JGADLO Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC001304338803 1067384423 /nfs/dbraw/zinc/38/44/23/1067384423.db2.gz RIDAOBXPPIOQRG-GOSISDBHSA-N 1 2 499.666 3.188 20 0 JGADLO CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001302798479 1067387495 /nfs/dbraw/zinc/38/74/95/1067387495.db2.gz YDLVFWWNEVAJCB-ARNLJNQMSA-N 1 2 490.737 3.159 20 0 JGADLO CC(C)CC(=O)Nc1cccc(Cn2c(-c3cccn3C)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001302802545 1067391191 /nfs/dbraw/zinc/39/11/91/1067391191.db2.gz FGZRUHLBWYKELM-UHFFFAOYSA-N 1 2 479.629 3.085 20 0 JGADLO CSCCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001302808454 1067396526 /nfs/dbraw/zinc/39/65/26/1067396526.db2.gz AJKMLBHWOHSHRH-UHFFFAOYSA-N 1 2 453.620 3.037 20 0 JGADLO Cc1ccc(Cn2c(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)c(F)c1 ZINC001304363972 1067402496 /nfs/dbraw/zinc/40/24/96/1067402496.db2.gz MJMVJGMYFGSSBT-JOCHJYFZSA-N 1 2 472.653 3.303 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccco3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001304375416 1067415159 /nfs/dbraw/zinc/41/51/59/1067415159.db2.gz RVKIRZMJOSKSLQ-UHFFFAOYSA-N 1 2 466.586 3.487 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccco3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001304375416 1067415161 /nfs/dbraw/zinc/41/51/61/1067415161.db2.gz RVKIRZMJOSKSLQ-UHFFFAOYSA-N 1 2 466.586 3.487 20 0 JGADLO CC(C)Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302827518 1067417734 /nfs/dbraw/zinc/41/77/34/1067417734.db2.gz APDIXADOWXYGGP-WOJBJXKFSA-N 1 2 470.618 3.351 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@]2(C)CCCS2)cc1C ZINC001304376452 1067418028 /nfs/dbraw/zinc/41/80/28/1067418028.db2.gz YHOMVMAUDKAXTE-DEOSSOPVSA-N 1 2 472.659 3.201 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001304378163 1067421746 /nfs/dbraw/zinc/42/17/46/1067421746.db2.gz LRQLFRBWVALBQH-FQEVSTJZSA-N 1 2 484.645 3.262 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001304378163 1067421748 /nfs/dbraw/zinc/42/17/48/1067421748.db2.gz LRQLFRBWVALBQH-FQEVSTJZSA-N 1 2 484.645 3.262 20 0 JGADLO CCOC(=O)CS[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C(F)(F)F ZINC001302852767 1067437657 /nfs/dbraw/zinc/43/76/57/1067437657.db2.gz FOXUYJHCWNSXGU-DOTOQJQBSA-N 1 2 450.548 3.120 20 0 JGADLO Cc1ccc(NC(=O)C2CCN(c3nnc(C(C)C)n3Cc3ccc(N(C)C)[nH+]c3)CC2)nc1 ZINC001304388920 1067447597 /nfs/dbraw/zinc/44/75/97/1067447597.db2.gz IDVYNOPZPBBLAQ-UHFFFAOYSA-N 1 2 462.602 3.469 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CC[C@@H]2CCO[C@@H](C)C2)cc1 ZINC001304404374 1067466745 /nfs/dbraw/zinc/46/67/45/1067466745.db2.gz QXCUKIZMMVCEDG-FCHUYYIVSA-N 1 2 457.619 3.139 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001304408934 1067474349 /nfs/dbraw/zinc/47/43/49/1067474349.db2.gz YGCWUXFWBMYVDO-CMKODMSKSA-N 1 2 483.535 3.042 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCCC(=O)N(C)C)cc1 ZINC001304413715 1067483394 /nfs/dbraw/zinc/48/33/94/1067483394.db2.gz VLGYVJZMCVJJIP-UHFFFAOYSA-N 1 2 477.613 3.058 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1C ZINC001304414612 1067484697 /nfs/dbraw/zinc/48/46/97/1067484697.db2.gz GFXDGWCTAUQAMA-UHFFFAOYSA-N 1 2 491.640 3.288 20 0 JGADLO CC(C)Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302902292 1067487545 /nfs/dbraw/zinc/48/75/45/1067487545.db2.gz FGSVOGBERICLPU-FQEVSTJZSA-N 1 2 481.563 3.444 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(S(C)(=O)=O)CCCC2)cc1 ZINC001304416101 1067487716 /nfs/dbraw/zinc/48/77/16/1067487716.db2.gz WBNDJZXKIRQZGQ-UHFFFAOYSA-N 1 2 489.686 3.443 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001304423923 1067500757 /nfs/dbraw/zinc/50/07/57/1067500757.db2.gz BBMCYCZYFPIKRQ-IFMALSPDSA-N 1 2 457.619 3.138 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001304423923 1067500765 /nfs/dbraw/zinc/50/07/65/1067500765.db2.gz BBMCYCZYFPIKRQ-IFMALSPDSA-N 1 2 457.619 3.138 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1C ZINC001304425756 1067503296 /nfs/dbraw/zinc/50/32/96/1067503296.db2.gz SSNSGRCLUCQQOV-GGAORHGYSA-N 1 2 457.619 3.056 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1C ZINC001304425756 1067503303 /nfs/dbraw/zinc/50/33/03/1067503303.db2.gz SSNSGRCLUCQQOV-GGAORHGYSA-N 1 2 457.619 3.056 20 0 JGADLO Cc1ccc(OCCn2c(C(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC001304430066 1067507705 /nfs/dbraw/zinc/50/77/05/1067507705.db2.gz UDIVWZCIWKSFFC-XMMPIXPASA-N 1 2 470.662 3.020 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001304438937 1067519463 /nfs/dbraw/zinc/51/94/63/1067519463.db2.gz PSNGDVMRYLDQPJ-HXUWFJFHSA-N 1 2 486.686 3.081 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001304438937 1067519472 /nfs/dbraw/zinc/51/94/72/1067519472.db2.gz PSNGDVMRYLDQPJ-HXUWFJFHSA-N 1 2 486.686 3.081 20 0 JGADLO Cc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCO[C@H](COC(C)C)C2)[NH+]2CCOCC2)c1 ZINC001304441612 1067522614 /nfs/dbraw/zinc/52/26/14/1067522614.db2.gz AEPMQNVRXDTYLG-ZEQRLZLVSA-N 1 2 471.646 3.414 20 0 JGADLO CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001302993977 1067554910 /nfs/dbraw/zinc/55/49/10/1067554910.db2.gz KOHLZZZPCFLMEE-DWLFOUALSA-N 1 2 477.650 3.495 20 0 JGADLO Cc1cccc(CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)[nH+]1 ZINC001304481287 1067561027 /nfs/dbraw/zinc/56/10/27/1067561027.db2.gz DBVMCSWYWATLTH-SFHVURJKSA-N 1 2 489.045 3.405 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N(C)CC(=O)Nc2c(C)cccc2C)[nH+]1 ZINC001304481646 1067561316 /nfs/dbraw/zinc/56/13/16/1067561316.db2.gz FRBMJPZOYFFFMF-UHFFFAOYSA-N 1 2 477.613 3.444 20 0 JGADLO Cc1c(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCc2cccc(C)[nH+]2)cnn1C ZINC001304482141 1067561712 /nfs/dbraw/zinc/56/17/12/1067561712.db2.gz LCCSCYMYYCIWOV-UHFFFAOYSA-N 1 2 493.637 3.363 20 0 JGADLO Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccc(F)c(F)c2)[nH+]1 ZINC001304483888 1067563240 /nfs/dbraw/zinc/56/32/40/1067563240.db2.gz YINDAEZQWIMGDZ-MRXNPFEDSA-N 1 2 478.569 3.139 20 0 JGADLO CC(C)CC[C@](C)(O)Cn1c(-c2c[nH]c3ccccc32)nnc1N(C)CC[NH+]1CCOCC1 ZINC001303008971 1067563632 /nfs/dbraw/zinc/56/36/32/1067563632.db2.gz GZYYNHHCRIOXEB-VWLOTQADSA-N 1 2 454.619 3.382 20 0 JGADLO Cc1cccc(CCCn2c(Cc3ccccn3)nnc2N(C)CC2COC(C)(C)OC2)[nH+]1 ZINC001304487222 1067565712 /nfs/dbraw/zinc/56/57/12/1067565712.db2.gz VZTNXJIBHOCIJW-UHFFFAOYSA-N 1 2 450.587 3.435 20 0 JGADLO Cc1cccc(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)[nH+]1 ZINC001304488324 1067566681 /nfs/dbraw/zinc/56/66/81/1067566681.db2.gz GDKQEWCRARTCOW-OAQYLSRUSA-N 1 2 490.029 3.470 20 0 JGADLO Cc1cccc(CCCn2c(N3CCC[C@@H](NC(=O)C(C)C)C3)nnc2[C@]2(OC(C)C)CCOC2)[nH+]1 ZINC001304488540 1067567079 /nfs/dbraw/zinc/56/70/79/1067567079.db2.gz KQQFYYCTBXQBNR-KCWPFWIISA-N 1 2 498.672 3.396 20 0 JGADLO Cc1cccc(CCCn2c(Cc3ccncc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)[nH+]1 ZINC001304488968 1067567496 /nfs/dbraw/zinc/56/74/96/1067567496.db2.gz UBTDWCDUMVIYTR-UHFFFAOYSA-N 1 2 461.614 3.295 20 0 JGADLO Cc1cccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001304507172 1067580768 /nfs/dbraw/zinc/58/07/68/1067580768.db2.gz IJWFKJGLICPURF-HBFSDRIKSA-N 1 2 483.535 3.042 20 0 JGADLO Cc1cccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001304507172 1067580776 /nfs/dbraw/zinc/58/07/76/1067580776.db2.gz IJWFKJGLICPURF-HBFSDRIKSA-N 1 2 483.535 3.042 20 0 JGADLO NC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001303053211 1067593103 /nfs/dbraw/zinc/59/31/03/1067593103.db2.gz OOAAAWXUQNMQJT-SFHVURJKSA-N 1 2 453.978 3.121 20 0 JGADLO CC(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001303081917 1067615770 /nfs/dbraw/zinc/61/57/70/1067615770.db2.gz RBCNIEXPOGZEKU-LJQANCHMSA-N 1 2 474.600 3.326 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCOC(C)C ZINC001304559635 1067628809 /nfs/dbraw/zinc/62/88/09/1067628809.db2.gz MRPMSLWPLFJBQS-HSZRJFAPSA-N 1 2 482.673 3.125 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@H](C)Oc3ccc(F)cc3)nnc1N(C)[C@@H](C)CC(N)=O)CCC2 ZINC001304606343 1067673187 /nfs/dbraw/zinc/67/31/87/1067673187.db2.gz IEVUFPXGEINHBH-BZSNNMDCSA-N 1 2 469.565 3.340 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@@H]3CCO[C@H]3C(C)(C)C)nnc1N(C)CCCS(C)(=O)=O)CCC2 ZINC001304607669 1067675256 /nfs/dbraw/zinc/67/52/56/1067675256.db2.gz CXRRWNDVSNMGAQ-XUVXKRRUSA-N 1 2 492.690 3.150 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)CCC2 ZINC001304608234 1067676023 /nfs/dbraw/zinc/67/60/23/1067676023.db2.gz MCLASNGEQLFCMV-DLBZAZTESA-N 1 2 481.567 3.454 20 0 JGADLO Cc1cnc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccc(F)c3)CC2)s1 ZINC001304608588 1067676158 /nfs/dbraw/zinc/67/61/58/1067676158.db2.gz OZYBPKFZIVJVNC-KRWDZBQOSA-N 1 2 485.633 3.446 20 0 JGADLO CC(C)CN(C)c1nnc(COc2ccc(Br)cc2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001303142906 1067681381 /nfs/dbraw/zinc/68/13/81/1067681381.db2.gz UFKXEOGSQXRCEP-QGZVFWFLSA-N 1 2 466.424 3.433 20 0 JGADLO CC(C)CN(C)c1nnc(COc2ccc(Br)cc2)n1CC[N@H+]1CCOC[C@H]1C ZINC001303142906 1067681384 /nfs/dbraw/zinc/68/13/84/1067681384.db2.gz UFKXEOGSQXRCEP-QGZVFWFLSA-N 1 2 466.424 3.433 20 0 JGADLO Cc1csc([C@@H](C)Cn2c(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)n1 ZINC001304617902 1067685919 /nfs/dbraw/zinc/68/59/19/1067685919.db2.gz DUKFTCRNMHDFGW-PZJWPPBQSA-N 1 2 489.734 3.375 20 0 JGADLO Cc1csc([C@H](C)Cn2c(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)n1 ZINC001304617898 1067685945 /nfs/dbraw/zinc/68/59/45/1067685945.db2.gz DUKFTCRNMHDFGW-CTNGQTDRSA-N 1 2 489.734 3.375 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H](C)c2ccc(F)cc2)cs1 ZINC001304657494 1067725919 /nfs/dbraw/zinc/72/59/19/1067725919.db2.gz YWGDLJBHUWOUAT-QGZVFWFLSA-N 1 2 458.607 3.345 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001303191952 1067726378 /nfs/dbraw/zinc/72/63/78/1067726378.db2.gz KRBDUZKJLKXRSV-OALUTQOASA-N 1 2 473.634 3.174 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001303191953 1067726475 /nfs/dbraw/zinc/72/64/75/1067726475.db2.gz KRBDUZKJLKXRSV-RBUKOAKNSA-N 1 2 473.634 3.174 20 0 JGADLO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C1=O ZINC001303195884 1067729081 /nfs/dbraw/zinc/72/90/81/1067729081.db2.gz FKEJQCYHEAMDJD-UPVQGACJSA-N 1 2 496.700 3.461 20 0 JGADLO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C1=O ZINC001303195884 1067729090 /nfs/dbraw/zinc/72/90/90/1067729090.db2.gz FKEJQCYHEAMDJD-UPVQGACJSA-N 1 2 496.700 3.461 20 0 JGADLO CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCNc2cccc[nH+]2)CC1=O ZINC001303198180 1067733135 /nfs/dbraw/zinc/73/31/35/1067733135.db2.gz ZRRKFPRNJKOSQQ-UHFFFAOYSA-N 1 2 465.577 3.210 20 0 JGADLO Cc1nc(Cc2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2CCCC(F)(F)F)cs1 ZINC001304672838 1067742038 /nfs/dbraw/zinc/74/20/38/1067742038.db2.gz HNIHVQCZCYBICL-INIZCTEOSA-N 1 2 499.607 3.109 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C4CC4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC2)s1 ZINC001304699600 1067770349 /nfs/dbraw/zinc/77/03/49/1067770349.db2.gz INOKLKYKXYYVQH-MRXNPFEDSA-N 1 2 475.663 3.498 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)C)n3CCCN(C)CC(F)(F)F)CC2)s1 ZINC001304699666 1067770360 /nfs/dbraw/zinc/77/03/60/1067770360.db2.gz KICGYUCKTZZXEQ-UHFFFAOYSA-N 1 2 459.586 3.373 20 0 JGADLO Cc1nc(N2CCN(c3nnc(C(C)C)n3Cc3ccc(OCC(F)(F)F)nc3)CC2)cc[nH+]1 ZINC001304700879 1067771568 /nfs/dbraw/zinc/77/15/68/1067771568.db2.gz XPTFLZRTJSSAGC-UHFFFAOYSA-N 1 2 476.507 3.211 20 0 JGADLO Cc1nc(N2CCN(c3nnc(Cc4ccc(F)cc4)n3CCCOC(C)C)CC2)cc[nH+]1 ZINC001304701739 1067772749 /nfs/dbraw/zinc/77/27/49/1067772749.db2.gz KDNMWKKBGRXIAF-UHFFFAOYSA-N 1 2 453.566 3.248 20 0 JGADLO Cc1nc(N2CCN(c3nnc(-c4cccc(Cl)c4)n3C[C@@](C)(O)C(C)C)CC2)cc[nH+]1 ZINC001304702755 1067775168 /nfs/dbraw/zinc/77/51/68/1067775168.db2.gz XQQKZPYKMYQCAQ-HSZRJFAPSA-N 1 2 455.994 3.431 20 0 JGADLO Cc1[nH+]ccn1CCCn1c(-c2ccccc2F)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001304706031 1067778715 /nfs/dbraw/zinc/77/87/15/1067778715.db2.gz XQNYXYUJELXESH-KDURUIRLSA-N 1 2 455.582 3.225 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)CCc3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)n1 ZINC001304744720 1067823221 /nfs/dbraw/zinc/82/32/21/1067823221.db2.gz BAVFKFRWWLDBQI-UHFFFAOYSA-N 1 2 450.616 3.389 20 0 JGADLO CC(C)[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001303311626 1067841106 /nfs/dbraw/zinc/84/11/06/1067841106.db2.gz FRZMDTOKOYGUHK-UHFFFAOYSA-N 1 2 470.643 3.237 20 0 JGADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc(I)nn2C)CC1 ZINC001303313772 1067842546 /nfs/dbraw/zinc/84/25/46/1067842546.db2.gz QLGUWTRYJVCAAZ-HNNXBMFYSA-N 1 2 456.303 3.073 20 0 JGADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)CC1 ZINC001303314854 1067843332 /nfs/dbraw/zinc/84/33/32/1067843332.db2.gz YGWGFRKNBSUNFQ-QYXIYQDXSA-N 1 2 461.578 3.447 20 0 JGADLO CC(C)N1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc[nH]4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001303317007 1067844720 /nfs/dbraw/zinc/84/47/20/1067844720.db2.gz MKRAIGRHFRXPAF-KRWDZBQOSA-N 1 2 453.557 3.466 20 0 JGADLO CC(C)N1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4)n3CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001303317118 1067845329 /nfs/dbraw/zinc/84/53/29/1067845329.db2.gz QKWCYQICACDZDX-QHCPKHFHSA-N 1 2 497.688 3.465 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(-c4ccccn4)n3CC(C)(C)C(F)(F)F)CC2)C1 ZINC001303318213 1067848604 /nfs/dbraw/zinc/84/86/04/1067848604.db2.gz KZGZDXIBBWMIFF-LJQANCHMSA-N 1 2 495.594 3.160 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCSC3(C)C)CC2)C1 ZINC001303318155 1067848671 /nfs/dbraw/zinc/84/86/71/1067848671.db2.gz JHOBPTSDGHTJGJ-LEWJYISDSA-N 1 2 478.751 3.339 20 0 JGADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(-c4cccnc4)n3CC(C)(C)C(F)(F)F)CC2)C1 ZINC001303318222 1067849293 /nfs/dbraw/zinc/84/92/93/1067849293.db2.gz LKYNQZCIMQNVHR-FQEVSTJZSA-N 1 2 495.594 3.160 20 0 JGADLO Cc1nnc(CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304774907 1067868352 /nfs/dbraw/zinc/86/83/52/1067868352.db2.gz JTAYMJAXEGEFGC-UHFFFAOYSA-N 1 2 462.023 3.160 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001303347740 1067874784 /nfs/dbraw/zinc/87/47/84/1067874784.db2.gz TVYRVKRUTAXEHV-UHFFFAOYSA-N 1 2 465.602 3.103 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1CCCNc1cccc[nH+]1 ZINC001303374010 1067905438 /nfs/dbraw/zinc/90/54/38/1067905438.db2.gz QDXABFITNBJOHV-RUZDIDTESA-N 1 2 498.031 3.151 20 0 JGADLO Cc1noc(C)c1CCn1c(-c2ccccc2Br)nnc1N(C)CC[NH+]1CCOCC1 ZINC001304877514 1067921565 /nfs/dbraw/zinc/92/15/65/1067921565.db2.gz UAHCODRBYVIYNR-UHFFFAOYSA-N 1 2 489.418 3.324 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCNC(=O)c3ccc(C)c(F)c3)CC2)on1 ZINC001304899695 1067943151 /nfs/dbraw/zinc/94/31/51/1067943151.db2.gz GFBOJMYICGEHOM-UHFFFAOYSA-N 1 2 497.619 3.363 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(C4CCC4)n3CCCNC(=O)OC(C)(C)C)CC2)on1 ZINC001304899347 1067943213 /nfs/dbraw/zinc/94/32/13/1067943213.db2.gz CUGPHWMWKMBOLG-UHFFFAOYSA-N 1 2 459.595 3.079 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCOc3ncccc3Cl)CC2)on1 ZINC001304900346 1067943804 /nfs/dbraw/zinc/94/38/04/1067943804.db2.gz PKDLJXOQJAHUII-UHFFFAOYSA-N 1 2 459.982 3.322 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3Cl)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001303481232 1068002000 /nfs/dbraw/zinc/00/20/00/1068002000.db2.gz NPPJOQIJERIXLH-CYFREDJKSA-N 1 2 478.037 3.329 20 0 JGADLO CC(C)O[C@]1(c2nnc(N(C)CCc3ccccc3F)n2CC(C)(C)[NH+]2CCOCC2)CCOC1 ZINC001303487721 1068011071 /nfs/dbraw/zinc/01/10/71/1068011071.db2.gz QIPZKXXDQXORCQ-AREMUKBSSA-N 1 2 489.636 3.248 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001303502625 1068033261 /nfs/dbraw/zinc/03/32/61/1068033261.db2.gz OLRXIGQWLMXLPF-QFQXNSOFSA-N 1 2 493.693 3.213 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CCC[C@@H](OC(C)(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001303502625 1068033277 /nfs/dbraw/zinc/03/32/77/1068033277.db2.gz OLRXIGQWLMXLPF-QFQXNSOFSA-N 1 2 493.693 3.213 20 0 JGADLO CC(C)OC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001303528113 1068057107 /nfs/dbraw/zinc/05/71/07/1068057107.db2.gz XLLODFDRGIWJHD-UXHICEINSA-N 1 2 476.572 3.204 20 0 JGADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2CC(F)(F)F)CC1 ZINC001305016451 1068059975 /nfs/dbraw/zinc/05/99/75/1068059975.db2.gz MAYJGSUJKINFAZ-INIZCTEOSA-N 1 2 468.499 3.170 20 0 JGADLO CC(C)OC[C@@H]1CN(c2nnc(COc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001303538084 1068067127 /nfs/dbraw/zinc/06/71/27/1068067127.db2.gz BPUFNERMBYSYLQ-FQEVSTJZSA-N 1 2 484.576 3.136 20 0 JGADLO C[C@H](c1cc(F)ccc1F)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303587199 1068108540 /nfs/dbraw/zinc/10/85/40/1068108540.db2.gz NMRDPSYYHIVXBT-KUHUBIRLSA-N 1 2 455.513 3.214 20 0 JGADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305065230 1068136868 /nfs/dbraw/zinc/13/68/68/1068136868.db2.gz GXYRIXZXRWVZFQ-HXUWFJFHSA-N 1 2 482.654 3.494 20 0 JGADLO C[C@@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305065057 1068136910 /nfs/dbraw/zinc/13/69/10/1068136910.db2.gz FNKFTTDKFXIRNN-SFHVURJKSA-N 1 2 467.643 3.310 20 0 JGADLO CC1CCN(c2ccc(Cn3c(CC(C)(C)C)nnc3N3CC[C@@H](S(C)(=O)=O)C3)c[nH+]2)CC1 ZINC001305066010 1068138041 /nfs/dbraw/zinc/13/80/41/1068138041.db2.gz KMDODFFIVHTQSN-HXUWFJFHSA-N 1 2 474.675 3.170 20 0 JGADLO C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCc1cn2ccccc2[nH+]1 ZINC001303644100 1068171973 /nfs/dbraw/zinc/17/19/73/1068171973.db2.gz DDMSSGQKDRAXBU-OAHLLOKOSA-N 1 2 469.496 3.137 20 0 JGADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001303651226 1068180692 /nfs/dbraw/zinc/18/06/92/1068180692.db2.gz WVEHAKKJXSOCCO-ICSRJNTNSA-N 1 2 455.607 3.044 20 0 JGADLO C[C@H]1CN(c2ccc(Cn3c(N4CC[C@H](NC(=O)OC(C)(C)C)C4)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001305121576 1068204535 /nfs/dbraw/zinc/20/45/35/1068204535.db2.gz JUDDTWIIXNFKEH-ICSRJNTNSA-N 1 2 499.660 3.347 20 0 JGADLO CC(C)c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305122823 1068206843 /nfs/dbraw/zinc/20/68/43/1068206843.db2.gz QOXIDYSAQMLWEV-RYRKJORJSA-N 1 2 468.524 3.226 20 0 JGADLO C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001305135930 1068225267 /nfs/dbraw/zinc/22/52/67/1068225267.db2.gz VQLMESMEYSSAPX-OAHLLOKOSA-N 1 2 457.376 3.442 20 0 JGADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)Oc1ccccc1 ZINC001303687902 1068226392 /nfs/dbraw/zinc/22/63/92/1068226392.db2.gz KWEHFGKYWRNWJM-NHCUHLMSSA-N 1 2 454.619 3.002 20 0 JGADLO C[C@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303713444 1068259048 /nfs/dbraw/zinc/25/90/48/1068259048.db2.gz MUIJSFHIJPDAJI-WOJBJXKFSA-N 1 2 476.666 3.398 20 0 JGADLO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1)[NH+]1CCOCC1 ZINC001303724801 1068276679 /nfs/dbraw/zinc/27/66/79/1068276679.db2.gz QADQKRUXSZUAKN-QHCPKHFHSA-N 1 2 496.700 3.259 20 0 JGADLO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001303726930 1068279839 /nfs/dbraw/zinc/27/98/39/1068279839.db2.gz IFCDVGOTBWELPX-CVEARBPZSA-N 1 2 455.500 3.349 20 0 JGADLO C[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)CCOc1cccc(Cl)c1)[NH+]1CCOCC1 ZINC001303727275 1068280495 /nfs/dbraw/zinc/28/04/95/1068280495.db2.gz DVZXLQBJBCDAEL-IBGZPJMESA-N 1 2 471.005 3.153 20 0 JGADLO C[C@H](Cn1c(CC2CC2)nnc1N(C)Cc1ccc(Br)s1)[NH+]1CCOCC1 ZINC001303733111 1068288904 /nfs/dbraw/zinc/28/89/04/1068288904.db2.gz QESJNHSRKAOIQK-CQSZACIVSA-N 1 2 454.438 3.412 20 0 JGADLO C[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)CCS1 ZINC001305178411 1068292517 /nfs/dbraw/zinc/29/25/17/1068292517.db2.gz JILLZYOMBDRZSY-RBUKOAKNSA-N 1 2 494.706 3.055 20 0 JGADLO C[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)CCS1 ZINC001305178411 1068292523 /nfs/dbraw/zinc/29/25/23/1068292523.db2.gz JILLZYOMBDRZSY-RBUKOAKNSA-N 1 2 494.706 3.055 20 0 JGADLO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CCn1cccn1)[NH+]1CCOCC1 ZINC001303735761 1068293461 /nfs/dbraw/zinc/29/34/61/1068293461.db2.gz CZKWHMIAELYTHF-SFHVURJKSA-N 1 2 476.050 3.277 20 0 JGADLO C[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)Cc1nccs1)[NH+]1CCOCC1 ZINC001303736525 1068294521 /nfs/dbraw/zinc/29/45/21/1068294521.db2.gz KAHOALCAHRWIOW-MRXNPFEDSA-N 1 2 463.007 3.324 20 0 JGADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(Cl)c2)n1CCCNc1cccc[nH+]1 ZINC001303771327 1068347014 /nfs/dbraw/zinc/34/70/14/1068347014.db2.gz KHPBOFIOFFZEOD-INIZCTEOSA-N 1 2 463.007 3.365 20 0 JGADLO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC(C)(C)O1 ZINC001305214437 1068347726 /nfs/dbraw/zinc/34/77/26/1068347726.db2.gz FBZGOMMJINGOAI-LJQANCHMSA-N 1 2 474.625 3.026 20 0 JGADLO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC(C)(C)O1 ZINC001305214437 1068347740 /nfs/dbraw/zinc/34/77/40/1068347740.db2.gz FBZGOMMJINGOAI-LJQANCHMSA-N 1 2 474.625 3.026 20 0 JGADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001303780556 1068358999 /nfs/dbraw/zinc/35/89/99/1068358999.db2.gz IVSXYMFUFTYQQZ-LPHOPBHVSA-N 1 2 479.647 3.242 20 0 JGADLO C[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001305222664 1068363706 /nfs/dbraw/zinc/36/37/06/1068363706.db2.gz LYGCTDLHMZAFPV-IEBWSBKVSA-N 1 2 478.435 3.149 20 0 JGADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1SCC(=O)Nc1cccc(OC)c1 ZINC001303791013 1068374692 /nfs/dbraw/zinc/37/46/92/1068374692.db2.gz SFPNVTPTUWNFII-SFHVURJKSA-N 1 2 457.596 3.267 20 0 JGADLO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305233889 1068381149 /nfs/dbraw/zinc/38/11/49/1068381149.db2.gz HEEWIEZFUMDGFI-IRXDYDNUSA-N 1 2 486.617 3.234 20 0 JGADLO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305233889 1068381167 /nfs/dbraw/zinc/38/11/67/1068381167.db2.gz HEEWIEZFUMDGFI-IRXDYDNUSA-N 1 2 486.617 3.234 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001305233781 1068381488 /nfs/dbraw/zinc/38/14/88/1068381488.db2.gz FIXATEVKVUTBLA-HZPDHXFCSA-N 1 2 484.464 3.353 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(Br)cs1 ZINC001305233781 1068381510 /nfs/dbraw/zinc/38/15/10/1068381510.db2.gz FIXATEVKVUTBLA-HZPDHXFCSA-N 1 2 484.464 3.353 20 0 JGADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233878 1068381585 /nfs/dbraw/zinc/38/15/85/1068381585.db2.gz GYXREEZWDHWIRR-FPOVZHCZSA-N 1 2 476.666 3.492 20 0 JGADLO C[C@H]1COCC[N@H+]1CCn1c(C2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233878 1068381600 /nfs/dbraw/zinc/38/16/00/1068381600.db2.gz GYXREEZWDHWIRR-FPOVZHCZSA-N 1 2 476.666 3.492 20 0 JGADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CCC2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001305234469 1068383138 /nfs/dbraw/zinc/38/31/38/1068383138.db2.gz QTVXKKVMAYVXSR-HNNXBMFYSA-N 1 2 484.464 3.089 20 0 JGADLO C[C@H]1COCC[N@H+]1CCn1c(C2CCC2)nnc1N(CCO)Cc1ccc(Br)s1 ZINC001305234469 1068383152 /nfs/dbraw/zinc/38/31/52/1068383152.db2.gz QTVXKKVMAYVXSR-HNNXBMFYSA-N 1 2 484.464 3.089 20 0 JGADLO C[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303797869 1068389095 /nfs/dbraw/zinc/38/90/95/1068389095.db2.gz LONCPSBXKNYXOV-WSTZPKSXSA-N 1 2 462.639 3.006 20 0 JGADLO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC001305259034 1068425116 /nfs/dbraw/zinc/42/51/16/1068425116.db2.gz OGBHPXRRJAAGKM-FYQPLNBISA-N 1 2 494.706 3.401 20 0 JGADLO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001305265149 1068444800 /nfs/dbraw/zinc/44/48/00/1068444800.db2.gz GPSPLVQINFOSGY-WWNPGLIZSA-N 1 2 468.646 3.036 20 0 JGADLO CC(C)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001303847943 1068482460 /nfs/dbraw/zinc/48/24/60/1068482460.db2.gz WCVCGNORVMQTJO-PKOBYXMFSA-N 1 2 489.621 3.134 20 0 JGADLO CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001305293512 1068497770 /nfs/dbraw/zinc/49/77/70/1068497770.db2.gz KHNVGLZQHPXAJO-OSPHWJPCSA-N 1 2 493.027 3.032 20 0 JGADLO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1CC[N@H+]1CC=CCC1 ZINC001303887760 1068525975 /nfs/dbraw/zinc/52/59/75/1068525975.db2.gz MGDUPOHGWDDYFR-FHWLQOOXSA-N 1 2 479.622 3.077 20 0 JGADLO C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1CC[N@@H+]1CC=CCC1 ZINC001303887760 1068525990 /nfs/dbraw/zinc/52/59/90/1068525990.db2.gz MGDUPOHGWDDYFR-FHWLQOOXSA-N 1 2 479.622 3.077 20 0 JGADLO CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001305326425 1068548683 /nfs/dbraw/zinc/54/86/83/1068548683.db2.gz MAAPGDUYANDBBT-UZUQRXQVSA-N 1 2 455.632 3.224 20 0 JGADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CC(F)(F)CO1 ZINC001303907095 1068553908 /nfs/dbraw/zinc/55/39/08/1068553908.db2.gz QLOYNIZEEZNTFR-VQIMIIECSA-N 1 2 485.963 3.264 20 0 JGADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCCS(C)(=O)=O ZINC001303914159 1068563871 /nfs/dbraw/zinc/56/38/71/1068563871.db2.gz WVYTVVDQROYSAV-KRWDZBQOSA-N 1 2 482.050 3.038 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCOC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303923854 1068578047 /nfs/dbraw/zinc/57/80/47/1068578047.db2.gz QWESIOGTKWZKBG-RBUKOAKNSA-N 1 2 461.582 3.141 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@H]2CCOC2)n1CC[N@H+]1CCOCC1(C)C ZINC001303923854 1068578054 /nfs/dbraw/zinc/57/80/54/1068578054.db2.gz QWESIOGTKWZKBG-RBUKOAKNSA-N 1 2 461.582 3.141 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N2CCOC(C)(C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303931384 1068588035 /nfs/dbraw/zinc/58/80/35/1068588035.db2.gz CJEROGJYWYTUFC-GOSISDBHSA-N 1 2 461.582 3.283 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001303932352 1068590736 /nfs/dbraw/zinc/59/07/36/1068590736.db2.gz RWYXEDGEZSRAKM-MOPGFXCFSA-N 1 2 493.649 3.445 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001303932352 1068590747 /nfs/dbraw/zinc/59/07/47/1068590747.db2.gz RWYXEDGEZSRAKM-MOPGFXCFSA-N 1 2 493.649 3.445 20 0 JGADLO CC[C@H](C)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC1([NH+]2CCOCC2)CC1 ZINC001305370383 1068624570 /nfs/dbraw/zinc/62/45/70/1068624570.db2.gz XFFXAVDPSUZKNG-OALUTQOASA-N 1 2 475.659 3.257 20 0 JGADLO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305414710 1068653338 /nfs/dbraw/zinc/65/33/38/1068653338.db2.gz RHHGONFEEPQQSL-ZVDOUQERSA-N 1 2 499.660 3.421 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001305428876 1068667356 /nfs/dbraw/zinc/66/73/56/1068667356.db2.gz WLFUUGQLLPHEKP-HXUWFJFHSA-N 1 2 483.661 3.155 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001305456433 1068696656 /nfs/dbraw/zinc/69/66/56/1068696656.db2.gz HBMANMVWZVZVKT-GBXCKJPGSA-N 1 2 468.646 3.278 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305464637 1068708039 /nfs/dbraw/zinc/70/80/39/1068708039.db2.gz WMFAFKVQSCIPSQ-DLBZAZTESA-N 1 2 464.014 3.004 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCc3cc(Br)ccc3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305473603 1068715247 /nfs/dbraw/zinc/71/52/47/1068715247.db2.gz ZXCYMSBFWDFGDX-QGZVFWFLSA-N 1 2 489.462 3.281 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305478685 1068717283 /nfs/dbraw/zinc/71/72/83/1068717283.db2.gz KBRPAPZHUQKTIF-ACIOBRDBSA-N 1 2 468.646 3.136 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCN(CC)C(=O)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305507742 1068744603 /nfs/dbraw/zinc/74/46/03/1068744603.db2.gz AVNXRHLQKSIGNA-FYYLOGMGSA-N 1 2 468.646 3.232 20 0 JGADLO CC[C@H](C)c1nnc(N2CCCN(CC)C(=O)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305507745 1068745260 /nfs/dbraw/zinc/74/52/60/1068745260.db2.gz AVNXRHLQKSIGNA-JTHBVZDNSA-N 1 2 468.646 3.232 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001305508083 1068745754 /nfs/dbraw/zinc/74/57/54/1068745754.db2.gz DUQKFTYGDSOIFD-TZIWHRDSSA-N 1 2 477.650 3.468 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001305508083 1068745757 /nfs/dbraw/zinc/74/57/57/1068745757.db2.gz DUQKFTYGDSOIFD-TZIWHRDSSA-N 1 2 477.650 3.468 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C)c(OC)c1 ZINC001305519207 1068769204 /nfs/dbraw/zinc/76/92/04/1068769204.db2.gz QIUIHMVLJPZLIO-FPOVZHCZSA-N 1 2 468.646 3.290 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCc1ccccc1F ZINC001305519062 1068769337 /nfs/dbraw/zinc/76/93/37/1068769337.db2.gz PDVBGVXNALGNJO-UXHICEINSA-N 1 2 456.610 3.306 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC[C@](C)(O)c1ccccc1 ZINC001305519922 1068770699 /nfs/dbraw/zinc/77/06/99/1068770699.db2.gz UQYVFFMGFRCALA-XXAUWVGASA-N 1 2 482.673 3.222 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC(C)(C)C(=O)NC ZINC001305527052 1068780541 /nfs/dbraw/zinc/78/05/41/1068780541.db2.gz BACUZEOSFCUZGE-KRWDZBQOSA-N 1 2 456.639 3.112 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cnccn3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001305528724 1068782313 /nfs/dbraw/zinc/78/23/13/1068782313.db2.gz MSJVPIWZKOEBPH-PXNSSMCTSA-N 1 2 470.572 3.489 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001305528715 1068782548 /nfs/dbraw/zinc/78/25/48/1068782548.db2.gz MPPWHPPQAMQXGQ-GOSISDBHSA-N 1 2 489.690 3.307 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cnccn3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001305528725 1068783189 /nfs/dbraw/zinc/78/31/89/1068783189.db2.gz MSJVPIWZKOEBPH-XLIONFOSSA-N 1 2 470.572 3.489 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001305531060 1068786929 /nfs/dbraw/zinc/78/69/29/1068786929.db2.gz CRMLTENVPUNDRC-ZWKOTPCHSA-N 1 2 472.638 3.472 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1ccccc1OCCOC ZINC001305533087 1068792138 /nfs/dbraw/zinc/79/21/38/1068792138.db2.gz MCURFGLFFHAJMA-IBGZPJMESA-N 1 2 465.602 3.290 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1cccc(NC(=O)OC)c1 ZINC001305535303 1068795587 /nfs/dbraw/zinc/79/55/87/1068795587.db2.gz UXXSYAKHALKJQI-QGZVFWFLSA-N 1 2 464.574 3.443 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305539603 1068807930 /nfs/dbraw/zinc/80/79/30/1068807930.db2.gz FQUCRCPQISEXHM-RBUKOAKNSA-N 1 2 475.037 3.015 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001305539984 1068808494 /nfs/dbraw/zinc/80/84/94/1068808494.db2.gz HAGNQUXXBAATGI-SFHVURJKSA-N 1 2 482.604 3.317 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1Cc1cccn(CC)c1=O ZINC001305542801 1068815649 /nfs/dbraw/zinc/81/56/49/1068815649.db2.gz XCSUCXBJAYZYEQ-IBGZPJMESA-N 1 2 482.604 3.491 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(C)s1 ZINC001305543164 1068817160 /nfs/dbraw/zinc/81/71/60/1068817160.db2.gz HRAQEWGCGOTAGL-TZIWHRDSSA-N 1 2 460.692 3.441 20 0 JGADLO CC[C@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001305566200 1068842039 /nfs/dbraw/zinc/84/20/39/1068842039.db2.gz WCKKTMICLKXLEW-LEWJYISDSA-N 1 2 481.707 3.086 20 0 JGADLO CC[C@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305566200 1068842062 /nfs/dbraw/zinc/84/20/62/1068842062.db2.gz WCKKTMICLKXLEW-LEWJYISDSA-N 1 2 481.707 3.086 20 0 JGADLO CC[C@@H](C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[NH+]1CCSCC1 ZINC001305597900 1068862335 /nfs/dbraw/zinc/86/23/35/1068862335.db2.gz KGMLDFIWRJPCBV-GOSISDBHSA-N 1 2 465.689 3.270 20 0 JGADLO CC[C@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305598950 1068862365 /nfs/dbraw/zinc/86/23/65/1068862365.db2.gz OLLKMBYGBRXRES-HKUYNNGSSA-N 1 2 452.611 3.052 20 0 JGADLO CC[C@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305598950 1068862377 /nfs/dbraw/zinc/86/23/77/1068862377.db2.gz OLLKMBYGBRXRES-HKUYNNGSSA-N 1 2 452.611 3.052 20 0 JGADLO CC[C@@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305598953 1068863055 /nfs/dbraw/zinc/86/30/55/1068863055.db2.gz OLLKMBYGBRXRES-MJGOQNOKSA-N 1 2 452.611 3.052 20 0 JGADLO CC[C@@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305598953 1068863066 /nfs/dbraw/zinc/86/30/66/1068863066.db2.gz OLLKMBYGBRXRES-MJGOQNOKSA-N 1 2 452.611 3.052 20 0 JGADLO CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001305633144 1068941320 /nfs/dbraw/zinc/94/13/20/1068941320.db2.gz OETNLRDKNBVNHU-GOSISDBHSA-N 1 2 477.613 3.282 20 0 JGADLO CC[C@H](C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001305639042 1068953436 /nfs/dbraw/zinc/95/34/36/1068953436.db2.gz RCHRBJAFKBTFOH-ICSRJNTNSA-N 1 2 475.037 3.062 20 0 JGADLO CC[C@H](c1nnc(N(C)CCS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccccc1 ZINC001305656348 1068994990 /nfs/dbraw/zinc/99/49/90/1068994990.db2.gz CWXLBFGHQVWXDJ-SFTDATJTSA-N 1 2 470.643 3.383 20 0 JGADLO CC[C@@H](c1nnc(N(C)OC2CCCC2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305659379 1068999814 /nfs/dbraw/zinc/99/98/14/1068999814.db2.gz QSIMTPIPCZRMPU-HSZRJFAPSA-N 1 2 454.619 3.295 20 0 JGADLO CC[C@@H](c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCC(C)(C)O)c1ccccc1 ZINC001305675229 1069027719 /nfs/dbraw/zinc/02/77/19/1069027719.db2.gz AZZYVAITMBYRGJ-LOSJGSFVSA-N 1 2 498.716 3.212 20 0 JGADLO CC[C@H](c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305683233 1069042323 /nfs/dbraw/zinc/04/23/23/1069042323.db2.gz VCRNXHPWOSSSLW-BJKOFHAPSA-N 1 2 482.673 3.235 20 0 JGADLO CC[C@H](c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305683238 1069042381 /nfs/dbraw/zinc/04/23/81/1069042381.db2.gz VCRNXHPWOSSSLW-ZEQRLZLVSA-N 1 2 482.673 3.235 20 0 JGADLO CCC(CC)(Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)SC ZINC001305693404 1069063837 /nfs/dbraw/zinc/06/38/37/1069063837.db2.gz MXXYVIYSRYZYKS-UHFFFAOYSA-N 1 2 456.620 3.276 20 0 JGADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)cc[nH+]1 ZINC001305693789 1069064586 /nfs/dbraw/zinc/06/45/86/1069064586.db2.gz RXQGNGXDYGJIBR-DLBZAZTESA-N 1 2 455.950 3.142 20 0 JGADLO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(C)C)CC1)[NH+]1CCOCC1 ZINC001305711814 1069111565 /nfs/dbraw/zinc/11/15/65/1069111565.db2.gz DKQUUEZKVWOWIE-PKTZIBPZSA-N 1 2 495.734 3.190 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2F)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305722120 1069133050 /nfs/dbraw/zinc/13/30/50/1069133050.db2.gz FKNAIKAMLAWPOD-UHFFFAOYSA-N 1 2 478.588 3.222 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cscc1C(F)(F)F ZINC001305731990 1069151994 /nfs/dbraw/zinc/15/19/94/1069151994.db2.gz RTPMXZWDZSJHSU-UHFFFAOYSA-N 1 2 488.580 3.094 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001305739563 1069167647 /nfs/dbraw/zinc/16/76/47/1069167647.db2.gz ONDGYVZPISGGCH-LZLYRXPVSA-N 1 2 497.566 3.435 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305739605 1069168115 /nfs/dbraw/zinc/16/81/15/1069168115.db2.gz OVXFCGLYWCQZAF-GGPKGHCWSA-N 1 2 483.665 3.322 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305739605 1069168119 /nfs/dbraw/zinc/16/81/19/1069168119.db2.gz OVXFCGLYWCQZAF-GGPKGHCWSA-N 1 2 483.665 3.322 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCCCCC[C@@H]32)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305740104 1069170047 /nfs/dbraw/zinc/17/00/47/1069170047.db2.gz GVNIRMWQEPCOKD-CTNGQTDRSA-N 1 2 460.667 3.466 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1Cc1c[nH+]ccc1OC ZINC001305741162 1069172928 /nfs/dbraw/zinc/17/29/28/1069172928.db2.gz QKOOKTBDAUKUHZ-UHFFFAOYSA-N 1 2 452.481 3.347 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3[C@H]2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305744222 1069183074 /nfs/dbraw/zinc/18/30/74/1069183074.db2.gz QRZFJNVBZBGBDI-GOSISDBHSA-N 1 2 454.619 3.389 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C(C)(C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001305746821 1069189779 /nfs/dbraw/zinc/18/97/79/1069189779.db2.gz BEFOOADEOUKOQO-LJQANCHMSA-N 1 2 483.661 3.349 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305747465 1069191003 /nfs/dbraw/zinc/19/10/03/1069191003.db2.gz HNTAHYGYXCTCBZ-SLFFLAALSA-N 1 2 483.661 3.347 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305749076 1069193306 /nfs/dbraw/zinc/19/33/06/1069193306.db2.gz DLLCGIBRGWNDSJ-FQEVSTJZSA-N 1 2 486.636 3.440 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccc(F)cc3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305749076 1069193316 /nfs/dbraw/zinc/19/33/16/1069193316.db2.gz DLLCGIBRGWNDSJ-FQEVSTJZSA-N 1 2 486.636 3.440 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305749083 1069193393 /nfs/dbraw/zinc/19/33/93/1069193393.db2.gz DLLCGIBRGWNDSJ-HXUWFJFHSA-N 1 2 486.636 3.440 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccc(F)cc3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305749083 1069193396 /nfs/dbraw/zinc/19/33/96/1069193396.db2.gz DLLCGIBRGWNDSJ-HXUWFJFHSA-N 1 2 486.636 3.440 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305755142 1069205565 /nfs/dbraw/zinc/20/55/65/1069205565.db2.gz JYWIHSQTEPHEHK-UHFFFAOYSA-N 1 2 473.449 3.207 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC(COC)CC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001305756042 1069209655 /nfs/dbraw/zinc/20/96/55/1069209655.db2.gz ROPPYYKBVDWYOA-UHFFFAOYSA-N 1 2 469.634 3.103 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001305776590 1069260208 /nfs/dbraw/zinc/26/02/08/1069260208.db2.gz YPXBSNKCRUACFP-IBGZPJMESA-N 1 2 469.634 3.103 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCOc1cccc(F)c1 ZINC001305783205 1069276322 /nfs/dbraw/zinc/27/63/22/1069276322.db2.gz ACIWCIBRHBGGOP-UHFFFAOYSA-N 1 2 481.576 3.136 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CC1(CC)CC1 ZINC001305788471 1069296762 /nfs/dbraw/zinc/29/67/62/1069296762.db2.gz VRHVVRIGYPYFST-UHFFFAOYSA-N 1 2 459.664 3.474 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305791986 1069304866 /nfs/dbraw/zinc/30/48/66/1069304866.db2.gz QULKDMCGUZDOAE-QFQXNSOFSA-N 1 2 492.709 3.195 20 0 JGADLO O=C(c1cccnc1N1C[C@H]2c3ccccc3C(=O)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164406355 718847697 /nfs/dbraw/zinc/84/76/97/718847697.db2.gz NNIRJGBXWYGBPD-LOSJGSFVSA-N 1 2 452.558 3.456 20 0 JGADLO O=C(c1cccnc1N1C[C@H]2C(=O)Nc3ccccc3[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164401734 718857595 /nfs/dbraw/zinc/85/75/95/718857595.db2.gz HTBNZNSSEKIRBL-DNQXCXABSA-N 1 2 467.573 3.212 20 0 JGADLO CN1CC[NH+](Cc2cc3nc(N4CCC5(CCCC5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164421376 718894212 /nfs/dbraw/zinc/89/42/12/718894212.db2.gz PWPYPBHCFQVIQD-UHFFFAOYSA-N 1 2 470.687 3.436 20 0 JGADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccccc3Cl)CC2)C1=O ZINC001164644047 719284529 /nfs/dbraw/zinc/28/45/29/719284529.db2.gz AGBBECDHWVYTCZ-UHFFFAOYSA-N 1 2 480.396 3.335 20 0 JGADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccccc3Cl)CC2)C1=O ZINC001164644047 719284531 /nfs/dbraw/zinc/28/45/31/719284531.db2.gz AGBBECDHWVYTCZ-UHFFFAOYSA-N 1 2 480.396 3.335 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-n3cncn3)nc(C)n1)CC2 ZINC001164658174 719355179 /nfs/dbraw/zinc/35/51/79/719355179.db2.gz FANCYUVMNVNILV-UHFFFAOYSA-N 1 2 455.570 3.060 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-n3cncn3)nc(C)n1)CC2 ZINC001164658174 719355181 /nfs/dbraw/zinc/35/51/81/719355181.db2.gz FANCYUVMNVNILV-UHFFFAOYSA-N 1 2 455.570 3.060 20 0 JGADLO CCOC(=O)C1CCN(c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)CC1 ZINC001164673327 719514537 /nfs/dbraw/zinc/51/45/37/719514537.db2.gz OLPBWBZUOSTGSY-UHFFFAOYSA-N 1 2 497.615 3.267 20 0 JGADLO CCOC(=O)C1CCN(c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)CC1 ZINC001164673327 719514541 /nfs/dbraw/zinc/51/45/41/719514541.db2.gz OLPBWBZUOSTGSY-UHFFFAOYSA-N 1 2 497.615 3.267 20 0 JGADLO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164672775 719521772 /nfs/dbraw/zinc/52/17/72/719521772.db2.gz NTYRYMVGPOUKQT-UHFFFAOYSA-N 1 2 476.618 3.123 20 0 JGADLO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164672775 719521788 /nfs/dbraw/zinc/52/17/88/719521788.db2.gz NTYRYMVGPOUKQT-UHFFFAOYSA-N 1 2 476.618 3.123 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)cnc2c1 ZINC001164701864 719851747 /nfs/dbraw/zinc/85/17/47/719851747.db2.gz LGJVMBVJUQOYAQ-MGPUTAFESA-N 1 2 454.905 3.061 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC001164704068 719852120 /nfs/dbraw/zinc/85/21/20/719852120.db2.gz QTQUJWZENAZHLR-WXVAWEFUSA-N 1 2 473.577 3.438 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(F)ccc1Oc1ccc(Cl)nn1 ZINC001164707584 719867859 /nfs/dbraw/zinc/86/78/59/719867859.db2.gz TYQZHEKVMLJMNR-KSFYIVLOSA-N 1 2 464.925 3.294 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCCC[C@H]1C ZINC001164700645 719867998 /nfs/dbraw/zinc/86/79/98/719867998.db2.gz FEEGVEPQWFKACZ-KYTVRQNUSA-N 1 2 467.614 3.241 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(N3CCCCC3)cc2)nn1 ZINC001164707663 719874991 /nfs/dbraw/zinc/87/49/91/719874991.db2.gz UZFRFDDHMFSXAF-HOFKKMOUSA-N 1 2 479.625 3.367 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(F)c1 ZINC001164702793 719878037 /nfs/dbraw/zinc/87/80/37/719878037.db2.gz QIWMFMGUKOVNKM-AOMKIAJQSA-N 1 2 464.925 3.294 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(Cl)nnc(Cl)c1N1CCCCC1 ZINC001164699753 719880650 /nfs/dbraw/zinc/88/06/50/719880650.db2.gz IAFULPNNJPQUPI-BTYIYWSLSA-N 1 2 472.417 3.006 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c(Cl)ccc3ccc(Cl)nc31)CC2 ZINC001164708800 719934833 /nfs/dbraw/zinc/93/48/33/719934833.db2.gz RIULNIIYGBGBRV-UHFFFAOYSA-N 1 2 459.381 3.225 20 0 JGADLO CCc1cccc(Oc2nc(Cl)ncc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164708557 719936432 /nfs/dbraw/zinc/93/64/32/719936432.db2.gz LBJJNFYDOOYRLD-UHFFFAOYSA-N 1 2 496.015 3.169 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C2)C1 ZINC001164721840 720296968 /nfs/dbraw/zinc/29/69/68/720296968.db2.gz MDPIAALRYOZYOZ-JOCHJYFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C2)C1 ZINC001164721840 720296973 /nfs/dbraw/zinc/29/69/73/720296973.db2.gz MDPIAALRYOZYOZ-JOCHJYFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(Cl)cc3)C2)C1 ZINC001164723364 720305844 /nfs/dbraw/zinc/30/58/44/720305844.db2.gz OHAIFRFCJKWGMF-JOCHJYFZSA-N 1 2 480.396 3.241 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(Cl)cc3)C2)C1 ZINC001164723364 720305848 /nfs/dbraw/zinc/30/58/48/720305848.db2.gz OHAIFRFCJKWGMF-JOCHJYFZSA-N 1 2 480.396 3.241 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3Cl)C2)C1 ZINC001164724945 720306276 /nfs/dbraw/zinc/30/62/76/720306276.db2.gz SWGFQZRMSYHPJS-QFIPXVFZSA-N 1 2 480.396 3.241 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3Cl)C2)C1 ZINC001164724945 720306285 /nfs/dbraw/zinc/30/62/85/720306285.db2.gz SWGFQZRMSYHPJS-QFIPXVFZSA-N 1 2 480.396 3.241 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)C2)C1 ZINC001164723815 720310106 /nfs/dbraw/zinc/31/01/06/720310106.db2.gz PIMWHMZBPQAIIB-HSZRJFAPSA-N 1 2 493.986 3.315 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)C2)C1 ZINC001164723815 720310112 /nfs/dbraw/zinc/31/01/12/720310112.db2.gz PIMWHMZBPQAIIB-HSZRJFAPSA-N 1 2 493.986 3.315 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C2)C1 ZINC001164721102 720310139 /nfs/dbraw/zinc/31/01/39/720310139.db2.gz DYJZOSUSLYJVOB-QFIPXVFZSA-N 1 2 470.992 3.214 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C2)C1 ZINC001164721102 720310147 /nfs/dbraw/zinc/31/01/47/720310147.db2.gz DYJZOSUSLYJVOB-QFIPXVFZSA-N 1 2 470.992 3.214 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc5cccc(Cl)c5n4)CC3)C2=O)cs1 ZINC001164823279 720363082 /nfs/dbraw/zinc/36/30/82/720363082.db2.gz DDEZGXOGEKAEFT-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc5cccc(Cl)c5n4)CC3)C2=O)cs1 ZINC001164823279 720363093 /nfs/dbraw/zinc/36/30/93/720363093.db2.gz DDEZGXOGEKAEFT-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Oc5ccccc5)ncn4)CC3)C2=O)cs1 ZINC001164823262 720363331 /nfs/dbraw/zinc/36/33/31/720363331.db2.gz CZEDKPSKSSLRON-UHFFFAOYSA-N 1 2 464.595 3.347 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Oc5ccccc5)ncn4)CC3)C2=O)cs1 ZINC001164823262 720363339 /nfs/dbraw/zinc/36/33/39/720363339.db2.gz CZEDKPSKSSLRON-UHFFFAOYSA-N 1 2 464.595 3.347 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(Cl)c5c4CCCC5)CC3)C2=O)cs1 ZINC001164825570 720367850 /nfs/dbraw/zinc/36/78/50/720367850.db2.gz RENJSKZPCYFQHO-UHFFFAOYSA-N 1 2 461.035 3.087 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(Cl)c5c4CCCC5)CC3)C2=O)cs1 ZINC001164825570 720367854 /nfs/dbraw/zinc/36/78/54/720367854.db2.gz RENJSKZPCYFQHO-UHFFFAOYSA-N 1 2 461.035 3.087 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(=O)N5CCC(C)CC5)cn4)CC3)C2=O)cs1 ZINC001164819676 720378994 /nfs/dbraw/zinc/37/89/94/720378994.db2.gz FNYRVEPNQLBEDV-UHFFFAOYSA-N 1 2 496.681 3.032 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(=O)N5CCC(C)CC5)cn4)CC3)C2=O)cs1 ZINC001164819676 720379001 /nfs/dbraw/zinc/37/90/01/720379001.db2.gz FNYRVEPNQLBEDV-UHFFFAOYSA-N 1 2 496.681 3.032 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(=O)N5CCC[C@@H](C)C5)cn4)CC3)C2=O)cs1 ZINC001164820746 720380005 /nfs/dbraw/zinc/38/00/05/720380005.db2.gz SQRHWZPGGMSFBO-LJQANCHMSA-N 1 2 496.681 3.032 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(=O)N5CCC[C@@H](C)C5)cn4)CC3)C2=O)cs1 ZINC001164820746 720380013 /nfs/dbraw/zinc/38/00/13/720380013.db2.gz SQRHWZPGGMSFBO-LJQANCHMSA-N 1 2 496.681 3.032 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3ccc(Cl)cc31)C2 ZINC001164827656 720428389 /nfs/dbraw/zinc/42/83/89/720428389.db2.gz UXNIIYARCDMRLT-OAHLLOKOSA-N 1 2 477.396 3.123 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc3ccc(F)cc31)C2 ZINC001164823380 720440480 /nfs/dbraw/zinc/44/04/80/720440480.db2.gz IRRCUESKPIUHAR-QGZVFWFLSA-N 1 2 459.953 3.213 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164825713 720445420 /nfs/dbraw/zinc/44/54/20/720445420.db2.gz ULUBEXWHNBUBJD-INIZCTEOSA-N 1 2 492.958 3.014 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164825715 720445986 /nfs/dbraw/zinc/44/59/86/720445986.db2.gz ULUBEXWHNBUBJD-MRXNPFEDSA-N 1 2 492.958 3.014 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1c(Cl)ncc(Cl)c1Cl)C2 ZINC001164830832 720454644 /nfs/dbraw/zinc/45/46/44/720454644.db2.gz MRGXMFBZOLRBBH-CYBMUJFWSA-N 1 2 460.793 3.228 20 0 JGADLO CCCCOc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC001164831155 720466383 /nfs/dbraw/zinc/46/63/83/720466383.db2.gz NADSRVQAEKNIAL-GOSISDBHSA-N 1 2 464.010 3.100 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3cccc4ccccc43)nn1)C2 ZINC001164831265 720475211 /nfs/dbraw/zinc/47/52/11/720475211.db2.gz OBZJNZRNUSTFDQ-QFIPXVFZSA-N 1 2 484.604 3.483 20 0 JGADLO Cc1ccccc1Oc1nc(Cl)ncc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831865 720481306 /nfs/dbraw/zinc/48/13/06/720481306.db2.gz HONVWJPLPKGYJQ-IBGZPJMESA-N 1 2 499.015 3.417 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)C2 ZINC001164833507 720483042 /nfs/dbraw/zinc/48/30/42/720483042.db2.gz PJDVPTBANBOEMO-KRWDZBQOSA-N 1 2 481.975 3.041 20 0 JGADLO O=C(c1cccnc1N1CC[C@@H](O)[C@@H]1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164833705 720491114 /nfs/dbraw/zinc/49/11/14/720491114.db2.gz QBWWVTXJXJNAKK-IZZNHLLZSA-N 1 2 456.590 3.222 20 0 JGADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164874298 721219445 /nfs/dbraw/zinc/21/94/45/721219445.db2.gz UDNNPLZYGRBKJV-UHFFFAOYSA-N 1 2 452.889 3.337 20 0 JGADLO CCOC(=O)c1cnc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1Cl ZINC001164769266 721271866 /nfs/dbraw/zinc/27/18/66/721271866.db2.gz XFXGPWWTVVTXNY-CQSZACIVSA-N 1 2 478.887 3.159 20 0 JGADLO COC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c(Cl)n1 ZINC001164766309 721273058 /nfs/dbraw/zinc/27/30/58/721273058.db2.gz CMAHKPHKHGLZFZ-CQSZACIVSA-N 1 2 463.872 3.373 20 0 JGADLO COC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)c(Cl)n1 ZINC001164766308 721273368 /nfs/dbraw/zinc/27/33/68/721273368.db2.gz CMAHKPHKHGLZFZ-AWEZNQCLSA-N 1 2 463.872 3.373 20 0 JGADLO COC(=O)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)cnc1Cl ZINC001164765976 721273561 /nfs/dbraw/zinc/27/35/61/721273561.db2.gz MJLBLBKPPFIIDM-AWEZNQCLSA-N 1 2 463.872 3.373 20 0 JGADLO O=C(c1ccsc1)N1CCO[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@H]2C1 ZINC001164874883 721295616 /nfs/dbraw/zinc/29/56/16/721295616.db2.gz DPTRHGNRJNEJSK-OFVILXPXSA-N 1 2 489.645 3.464 20 0 JGADLO O=C(c1ccsc1)N1CCO[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@H]2C1 ZINC001164874883 721295620 /nfs/dbraw/zinc/29/56/20/721295620.db2.gz DPTRHGNRJNEJSK-OFVILXPXSA-N 1 2 489.645 3.464 20 0 JGADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cc1 ZINC001164786402 721420935 /nfs/dbraw/zinc/42/09/35/721420935.db2.gz OXFMSZYZLBVZHD-QZTJIDSGSA-N 1 2 485.635 3.306 20 0 JGADLO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165009515 721709404 /nfs/dbraw/zinc/70/94/04/721709404.db2.gz UQMHKBSIBUNAMK-UHFFFAOYSA-N 1 2 473.622 3.200 20 0 JGADLO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165009515 721709407 /nfs/dbraw/zinc/70/94/07/721709407.db2.gz UQMHKBSIBUNAMK-UHFFFAOYSA-N 1 2 473.622 3.200 20 0 JGADLO FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911432 721769773 /nfs/dbraw/zinc/76/97/73/721769773.db2.gz GPVZGJKWRJXJRK-IBGZPJMESA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911432 721769777 /nfs/dbraw/zinc/76/97/77/721769777.db2.gz GPVZGJKWRJXJRK-IBGZPJMESA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911935 721770096 /nfs/dbraw/zinc/77/00/96/721770096.db2.gz INEHDZPBHQWEGT-LJQANCHMSA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911935 721770104 /nfs/dbraw/zinc/77/01/04/721770104.db2.gz INEHDZPBHQWEGT-LJQANCHMSA-N 1 2 459.324 3.436 20 0 JGADLO Clc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164912500 721771739 /nfs/dbraw/zinc/77/17/39/721771739.db2.gz MXPNZKQLVPKILD-DEOSSOPVSA-N 1 2 451.958 3.300 20 0 JGADLO Clc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164912500 721771742 /nfs/dbraw/zinc/77/17/42/721771742.db2.gz MXPNZKQLVPKILD-DEOSSOPVSA-N 1 2 451.958 3.300 20 0 JGADLO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912057 721780143 /nfs/dbraw/zinc/78/01/43/721780143.db2.gz JWFCDMTYHLZHOI-JOCHJYFZSA-N 1 2 475.927 3.331 20 0 JGADLO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912057 721780145 /nfs/dbraw/zinc/78/01/45/721780145.db2.gz JWFCDMTYHLZHOI-JOCHJYFZSA-N 1 2 475.927 3.331 20 0 JGADLO O=C(c1ccccc1)n1ccc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc21 ZINC001164917554 721792638 /nfs/dbraw/zinc/79/26/38/721792638.db2.gz XZUYKFWTGYGYCX-NDEPHWFRSA-N 1 2 483.572 3.228 20 0 JGADLO O=C(c1ccccc1)n1ccc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc21 ZINC001164917554 721792639 /nfs/dbraw/zinc/79/26/39/721792639.db2.gz XZUYKFWTGYGYCX-NDEPHWFRSA-N 1 2 483.572 3.228 20 0 JGADLO c1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c(N3CCCCC3)nc2c1 ZINC001164914636 721793403 /nfs/dbraw/zinc/79/34/03/721793403.db2.gz ORMRINBVHAVNGS-HHHXNRCGSA-N 1 2 474.609 3.123 20 0 JGADLO c1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c(N3CCCCC3)nc2c1 ZINC001164914636 721793406 /nfs/dbraw/zinc/79/34/06/721793406.db2.gz ORMRINBVHAVNGS-HHHXNRCGSA-N 1 2 474.609 3.123 20 0 JGADLO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914249 721796924 /nfs/dbraw/zinc/79/69/24/721796924.db2.gz KZCZQIHJYMMCJE-JWQCQUIFSA-N 1 2 499.974 3.427 20 0 JGADLO F[C@@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914249 721796927 /nfs/dbraw/zinc/79/69/27/721796927.db2.gz KZCZQIHJYMMCJE-JWQCQUIFSA-N 1 2 499.974 3.427 20 0 JGADLO Clc1nnc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1N1CCCCC1 ZINC001164914995 721802000 /nfs/dbraw/zinc/80/20/00/721802000.db2.gz SSKSNZRJZNONSF-QHCPKHFHSA-N 1 2 493.439 3.277 20 0 JGADLO Clc1nnc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1N1CCCCC1 ZINC001164914995 721802003 /nfs/dbraw/zinc/80/20/03/721802003.db2.gz SSKSNZRJZNONSF-QHCPKHFHSA-N 1 2 493.439 3.277 20 0 JGADLO CCOC(=O)c1ccc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)c(Cl)n1 ZINC001164917106 721818260 /nfs/dbraw/zinc/81/82/60/721818260.db2.gz BJCJOEYZGPJTHA-UHFFFAOYSA-N 1 2 453.921 3.403 20 0 JGADLO CCOC(=O)c1ccc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)c(Cl)n1 ZINC001164917106 721818262 /nfs/dbraw/zinc/81/82/62/721818262.db2.gz BJCJOEYZGPJTHA-UHFFFAOYSA-N 1 2 453.921 3.403 20 0 JGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@@H]5COC[C@]5(COCc5ccccn5)C4)c3C2)cc1 ZINC001164928243 721838082 /nfs/dbraw/zinc/83/80/82/721838082.db2.gz XHIVLRMYHCLXAM-AMGIVPHBSA-N 1 2 457.578 3.100 20 0 JGADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@@H]5COC[C@]5(COCc5ccccn5)C4)c3C2)cc1 ZINC001164928243 721838086 /nfs/dbraw/zinc/83/80/86/721838086.db2.gz XHIVLRMYHCLXAM-AMGIVPHBSA-N 1 2 457.578 3.100 20 0 JGADLO O=C1NCc2ccccc2CC12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164968138 722078349 /nfs/dbraw/zinc/07/83/49/722078349.db2.gz SDFFPGBWGLPOKK-UHFFFAOYSA-N 1 2 453.590 3.494 20 0 JGADLO O=C1NCc2ccccc2CC12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164968138 722078350 /nfs/dbraw/zinc/07/83/50/722078350.db2.gz SDFFPGBWGLPOKK-UHFFFAOYSA-N 1 2 453.590 3.494 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3F)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305794800 1069313221 /nfs/dbraw/zinc/31/32/21/1069313221.db2.gz NCEYXKDBUISXOB-QFIPXVFZSA-N 1 2 495.603 3.423 20 0 JGADLO CC[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)OC ZINC001305806010 1069333931 /nfs/dbraw/zinc/33/39/31/1069333931.db2.gz NGKODZRGGKEMMB-FQEVSTJZSA-N 1 2 498.031 3.310 20 0 JGADLO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001305811297 1069341188 /nfs/dbraw/zinc/34/11/88/1069341188.db2.gz PNGLVGGDARMKJH-KRWDZBQOSA-N 1 2 474.407 3.193 20 0 JGADLO O=C(CCCN1C(=O)c2ccccc2C1=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001305810226 1069340165 /nfs/dbraw/zinc/34/01/65/1069340165.db2.gz FBGABPVTWJEOIE-UHFFFAOYSA-N 1 2 450.926 3.320 20 0 JGADLO CC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)OC ZINC001305824787 1069363031 /nfs/dbraw/zinc/36/30/31/1069363031.db2.gz WHXXEHPECJFOMY-IBGZPJMESA-N 1 2 456.616 3.466 20 0 JGADLO CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC001305839579 1069385955 /nfs/dbraw/zinc/38/59/55/1069385955.db2.gz VIHNYHPUTGTUSF-CTNGQTDRSA-N 1 2 459.660 3.295 20 0 JGADLO CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC001305839580 1069386203 /nfs/dbraw/zinc/38/62/03/1069386203.db2.gz VIHNYHPUTGTUSF-FPOVZHCZSA-N 1 2 459.660 3.295 20 0 JGADLO COC(=O)c1cc(Br)c2c(c1)CN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)CCO2 ZINC001305853534 1069408224 /nfs/dbraw/zinc/40/82/24/1069408224.db2.gz LZZMKPMMMIVCPW-QGZVFWFLSA-N 1 2 450.333 3.441 20 0 JGADLO CCC(O)(CC)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001305856610 1069411011 /nfs/dbraw/zinc/41/10/11/1069411011.db2.gz DIBGPISJTJLFFF-LJQANCHMSA-N 1 2 457.623 3.229 20 0 JGADLO CC[C@@]1(C)CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2c[nH+]ccc2OC)C1 ZINC001305868337 1069423866 /nfs/dbraw/zinc/42/38/66/1069423866.db2.gz SSJSYJRYRXEARL-DEOSSOPVSA-N 1 2 484.626 3.274 20 0 JGADLO CCc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](CC)CCC(F)(F)F)cc1 ZINC001305917194 1069471951 /nfs/dbraw/zinc/47/19/51/1069471951.db2.gz JBCNDAUHGTVQGC-LJQANCHMSA-N 1 2 487.592 3.405 20 0 JGADLO CCc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](CC)CCC(F)(F)F)cc1 ZINC001305917194 1069471953 /nfs/dbraw/zinc/47/19/53/1069471953.db2.gz JBCNDAUHGTVQGC-LJQANCHMSA-N 1 2 487.592 3.405 20 0 JGADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(Cc2ccsc2)n1CC(C)(C)O ZINC001298240415 1064145565 /nfs/dbraw/zinc/14/55/65/1064145565.db2.gz MYLVVDMLQIWZST-SFHVURJKSA-N 1 2 461.657 3.273 20 0 JGADLO CN(Cc1cc(Cl)ccn1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001298262932 1064158292 /nfs/dbraw/zinc/15/82/92/1064158292.db2.gz XJKUEMLCSZGEEC-RBUKOAKNSA-N 1 2 489.958 3.495 20 0 JGADLO CN(CC1CC(F)C1)c1nnc(COc2ccccc2F)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298488674 1064277150 /nfs/dbraw/zinc/27/71/50/1064277150.db2.gz CNSCRUHKQUIUCY-UHFFFAOYSA-N 1 2 462.589 3.207 20 0 JGADLO CN(CC1CC(F)C1)c1nnc(COc2ccccc2F)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298488674 1064277161 /nfs/dbraw/zinc/27/71/61/1064277161.db2.gz CNSCRUHKQUIUCY-UHFFFAOYSA-N 1 2 462.589 3.207 20 0 JGADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCC(=O)N1CCC(O)CC1 ZINC001298562860 1064330269 /nfs/dbraw/zinc/33/02/69/1064330269.db2.gz PXFXUXALHRPGRM-NRFANRHFSA-N 1 2 450.023 3.162 20 0 JGADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCC(=O)N1CCC(O)CC1 ZINC001298562860 1064330283 /nfs/dbraw/zinc/33/02/83/1064330283.db2.gz PXFXUXALHRPGRM-NRFANRHFSA-N 1 2 450.023 3.162 20 0 JGADLO CN(CCc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001298624848 1064396876 /nfs/dbraw/zinc/39/68/76/1064396876.db2.gz ZHIPXFOCCSUJKM-GHTZIAJQSA-N 1 2 491.658 3.363 20 0 JGADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(Br)cc1Cl ZINC001298653029 1064427672 /nfs/dbraw/zinc/42/76/72/1064427672.db2.gz YBIUQCCMMLKNTM-QGZVFWFLSA-N 1 2 455.784 3.258 20 0 JGADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(Br)cc1Cl ZINC001298653029 1064427676 /nfs/dbraw/zinc/42/76/76/1064427676.db2.gz YBIUQCCMMLKNTM-QGZVFWFLSA-N 1 2 455.784 3.258 20 0 JGADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(Cc3ccccn3)n1CCN(C)C(=O)OC(C)(C)C)C2 ZINC001298711756 1064517735 /nfs/dbraw/zinc/51/77/35/1064517735.db2.gz CHVXWTVFXJUQHT-UHFFFAOYSA-N 1 2 492.628 3.155 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Br)c2)n1CCc1nccs1 ZINC001298733811 1064549049 /nfs/dbraw/zinc/54/90/49/1064549049.db2.gz UUNLBIJAAAAMPS-UHFFFAOYSA-N 1 2 477.432 3.175 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(C2CC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001298736091 1064549938 /nfs/dbraw/zinc/54/99/38/1064549938.db2.gz ACISPKXJEDBXMR-HXUWFJFHSA-N 1 2 462.639 3.104 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001298736119 1064550667 /nfs/dbraw/zinc/55/06/67/1064550667.db2.gz AZQWQEMJCSHEPY-UHFFFAOYSA-N 1 2 491.036 3.234 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1CCc1nc(C(C)(C)C)cs1 ZINC001298736349 1064550738 /nfs/dbraw/zinc/55/07/38/1064550738.db2.gz DVWUTEXOVHZXKH-UHFFFAOYSA-N 1 2 455.632 3.105 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1OC(F)F ZINC001298737705 1064552389 /nfs/dbraw/zinc/55/23/89/1064552389.db2.gz WCXAOILZZUMCIF-UHFFFAOYSA-N 1 2 478.931 3.412 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1Cc1nnc(C(C)(C)C)s1 ZINC001298737914 1064552942 /nfs/dbraw/zinc/55/29/42/1064552942.db2.gz ZBXKYPZNFSPSOI-UHFFFAOYSA-N 1 2 459.595 3.050 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CC2CCCC2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001298740439 1064555189 /nfs/dbraw/zinc/55/51/89/1064555189.db2.gz JFNKHLNPOGTLKX-QFIPXVFZSA-N 1 2 490.693 3.426 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CCCc2ccccc2)n1Cc1ccc(Cl)nc1 ZINC001298740544 1064555933 /nfs/dbraw/zinc/55/59/33/1064555933.db2.gz MKEUVVQBDWJDHY-UHFFFAOYSA-N 1 2 455.006 3.319 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCSC1(C)C ZINC001298741048 1064556520 /nfs/dbraw/zinc/55/65/20/1064556520.db2.gz ZGCNIGFDWAHUAQ-GOSISDBHSA-N 1 2 463.623 3.296 20 0 JGADLO Cn1cc(-c2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CCCNc2cccc[nH+]2)cn1 ZINC001298808389 1064609272 /nfs/dbraw/zinc/60/92/72/1064609272.db2.gz LLBNDGSAPPZZSU-OAQYLSRUSA-N 1 2 478.523 3.106 20 0 JGADLO COC(=O)C[C@@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)c1cccc2ccccc21 ZINC001298894149 1064702144 /nfs/dbraw/zinc/70/21/44/1064702144.db2.gz AOGGYDKLLAUDSP-FGZHOGPDSA-N 1 2 450.539 3.057 20 0 JGADLO COC(=O)C[C@@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)c1cccc2ccccc21 ZINC001298894149 1064702156 /nfs/dbraw/zinc/70/21/56/1064702156.db2.gz AOGGYDKLLAUDSP-FGZHOGPDSA-N 1 2 450.539 3.057 20 0 JGADLO CNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001298922143 1064722568 /nfs/dbraw/zinc/72/25/68/1064722568.db2.gz RCVOFXGLRBNKAZ-GOSISDBHSA-N 1 2 486.642 3.190 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[N@@H+]1CCOC[C@H]1C ZINC001298954224 1064745047 /nfs/dbraw/zinc/74/50/47/1064745047.db2.gz ABHYFNGNUCPLEN-JKSUJKDBSA-N 1 2 491.061 3.352 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[N@H+]1CCOC[C@H]1C ZINC001298954224 1064745060 /nfs/dbraw/zinc/74/50/60/1064745060.db2.gz ABHYFNGNUCPLEN-JKSUJKDBSA-N 1 2 491.061 3.352 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C)cc2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001298998523 1064778144 /nfs/dbraw/zinc/77/81/44/1064778144.db2.gz BANDCFMPZLFEBC-NRFANRHFSA-N 1 2 491.640 3.417 20 0 JGADLO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001299006188 1064789035 /nfs/dbraw/zinc/78/90/35/1064789035.db2.gz KMVBTEQWNHXFRU-NSYGIPOTSA-N 1 2 481.576 3.029 20 0 JGADLO CNC(=O)[C@H]1CCCN(c2nnc(COc3ccccc3OC)n2CCCc2cccc(C)[nH+]2)C1 ZINC001299101370 1064908189 /nfs/dbraw/zinc/90/81/89/1064908189.db2.gz SIOUHGCZGRULBP-FQEVSTJZSA-N 1 2 478.597 3.164 20 0 JGADLO CNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001299119469 1064928453 /nfs/dbraw/zinc/92/84/53/1064928453.db2.gz PGTCOKCEMRYGMB-UHFFFAOYSA-N 1 2 453.635 3.263 20 0 JGADLO CNC(=O)[C@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001299128768 1064936542 /nfs/dbraw/zinc/93/65/42/1064936542.db2.gz OXULDTLQHQKMMZ-PGRDOPGGSA-N 1 2 499.015 3.359 20 0 JGADLO CO[C@@]1(C)CCCN(c2nnc(CNC(=O)c3cccs3)n2CCCNc2cccc[nH+]2)C1 ZINC001299771529 1064969499 /nfs/dbraw/zinc/96/94/99/1064969499.db2.gz ITDRWJJENLVAAO-QHCPKHFHSA-N 1 2 469.615 3.172 20 0 JGADLO COc1cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCC[C@H]2C)cc(OC)c1OC ZINC001299840801 1065035791 /nfs/dbraw/zinc/03/57/91/1065035791.db2.gz BJDYGKHKRHCXAC-MOPGFXCFSA-N 1 2 473.618 3.176 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001299894954 1065125797 /nfs/dbraw/zinc/12/57/97/1065125797.db2.gz LDTJYMGFSJWGNH-AEFFLSMTSA-N 1 2 494.017 3.126 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001299898834 1065133844 /nfs/dbraw/zinc/13/38/44/1065133844.db2.gz SYSXVKULNOSSPU-ROUUACIJSA-N 1 2 464.010 3.048 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001299905481 1065146170 /nfs/dbraw/zinc/14/61/70/1065146170.db2.gz GTBBLKOFUKGCRX-INIZCTEOSA-N 1 2 484.004 3.208 20 0 JGADLO COc1cc(OC)c(CCn2c(CC(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC001299925367 1065184053 /nfs/dbraw/zinc/18/40/53/1065184053.db2.gz QICMZHXFEHQADH-UHFFFAOYSA-N 1 2 480.613 3.467 20 0 JGADLO COc1ccc([C@@H](C)CCn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001299981027 1065280827 /nfs/dbraw/zinc/28/08/27/1065280827.db2.gz QWTBKXWBMMOSEC-FQEVSTJZSA-N 1 2 477.613 3.340 20 0 JGADLO COc1ccc([C@@H](C)N(C)c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001299986812 1065288307 /nfs/dbraw/zinc/28/83/07/1065288307.db2.gz KSFJXTXPUYDGRK-WOJBJXKFSA-N 1 2 450.587 3.191 20 0 JGADLO COc1ccc([C@@H](C)N(C)c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001299986812 1065288324 /nfs/dbraw/zinc/28/83/24/1065288324.db2.gz KSFJXTXPUYDGRK-WOJBJXKFSA-N 1 2 450.587 3.191 20 0 JGADLO COc1ccc([C@H](C)N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001299987044 1065289193 /nfs/dbraw/zinc/28/91/93/1065289193.db2.gz OKYDSWAEBVSOKV-ICSRJNTNSA-N 1 2 484.626 3.283 20 0 JGADLO Cc1ccc(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492217889 1065327567 /nfs/dbraw/zinc/32/75/67/1065327567.db2.gz SUKCRQZNTILCKZ-OAQYLSRUSA-N 1 2 463.586 3.359 20 0 JGADLO Cc1nc(Cc2nnc(N(C)Cc3cc(C)ccc3F)n2CC[N@H+]2CCOC[C@@H]2C)cs1 ZINC001492217357 1065327890 /nfs/dbraw/zinc/32/78/90/1065327890.db2.gz ODBNHJJUTNQHQY-KRWDZBQOSA-N 1 2 458.607 3.438 20 0 JGADLO Cc1nc(Cc2nnc(N(C)Cc3cc(C)ccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)cs1 ZINC001492217357 1065327902 /nfs/dbraw/zinc/32/79/02/1065327902.db2.gz ODBNHJJUTNQHQY-KRWDZBQOSA-N 1 2 458.607 3.438 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001492253329 1065353194 /nfs/dbraw/zinc/35/31/94/1065353194.db2.gz DUNYPWOXVJSVHG-SFHVURJKSA-N 1 2 454.619 3.494 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001492253329 1065353206 /nfs/dbraw/zinc/35/32/06/1065353206.db2.gz DUNYPWOXVJSVHG-SFHVURJKSA-N 1 2 454.619 3.494 20 0 JGADLO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C)cc2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001492323735 1065396623 /nfs/dbraw/zinc/39/66/23/1065396623.db2.gz WXFKXOCOXGWIAO-SFHVURJKSA-N 1 2 454.575 3.127 20 0 JGADLO Cc1noc(C)c1CN(C)c1nnc(COc2ccc(C)cc2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001492323735 1065396636 /nfs/dbraw/zinc/39/66/36/1065396636.db2.gz WXFKXOCOXGWIAO-SFHVURJKSA-N 1 2 454.575 3.127 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@H](C)OC(C)(C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1C ZINC001492337196 1065404341 /nfs/dbraw/zinc/40/43/41/1065404341.db2.gz GTJGRBDUQHPIHZ-RTWAWAEBSA-N 1 2 457.619 3.198 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1C ZINC001492337194 1065404490 /nfs/dbraw/zinc/40/44/90/1065404490.db2.gz GTJGRBDUQHPIHZ-NHCUHLMSSA-N 1 2 457.619 3.198 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CSCCS2)cc1 ZINC001492448730 1065501575 /nfs/dbraw/zinc/50/15/75/1065501575.db2.gz HFPBZEQSAPLURB-HXUWFJFHSA-N 1 2 479.741 3.496 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCC(CCC(N)=O)CC3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001492456050 1065506286 /nfs/dbraw/zinc/50/62/86/1065506286.db2.gz GFBLPNLUWNEUIV-HXUWFJFHSA-N 1 2 486.686 3.081 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCC(CCC(N)=O)CC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001492456050 1065506302 /nfs/dbraw/zinc/50/63/02/1065506302.db2.gz GFBLPNLUWNEUIV-HXUWFJFHSA-N 1 2 486.686 3.081 20 0 JGADLO CO[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@@H]1C ZINC001300797031 1065528583 /nfs/dbraw/zinc/52/85/83/1065528583.db2.gz VSBZPIUSQWJIAV-KXBFYZLASA-N 1 2 488.434 3.417 20 0 JGADLO CO[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1(C)C ZINC001300804694 1065536760 /nfs/dbraw/zinc/53/67/60/1065536760.db2.gz SVYMCHKKSDRRKQ-GOEBONIOSA-N 1 2 484.464 3.351 20 0 JGADLO CO[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CCOC[C@@H]2C)CC1(C)C ZINC001300804694 1065536775 /nfs/dbraw/zinc/53/67/75/1065536775.db2.gz SVYMCHKKSDRRKQ-GOEBONIOSA-N 1 2 484.464 3.351 20 0 JGADLO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)C1 ZINC001300873734 1065651028 /nfs/dbraw/zinc/65/10/28/1065651028.db2.gz MAWHFZOCWBTKHA-IBGZPJMESA-N 1 2 450.608 3.390 20 0 JGADLO C[N@H+]1CCCC[C@@H](CNC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)C1 ZINC001300873734 1065651032 /nfs/dbraw/zinc/65/10/32/1065651032.db2.gz MAWHFZOCWBTKHA-IBGZPJMESA-N 1 2 450.608 3.390 20 0 JGADLO COC[C@@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001300978275 1065788451 /nfs/dbraw/zinc/78/84/51/1065788451.db2.gz DRAVIYPAFFDKIX-SFHVURJKSA-N 1 2 470.643 3.247 20 0 JGADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl ZINC001300987597 1065800760 /nfs/dbraw/zinc/80/07/60/1065800760.db2.gz VAFMERDDIXCEBZ-QFIPXVFZSA-N 1 2 453.967 3.033 20 0 JGADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl ZINC001300987597 1065800771 /nfs/dbraw/zinc/80/07/71/1065800771.db2.gz VAFMERDDIXCEBZ-QFIPXVFZSA-N 1 2 453.967 3.033 20 0 JGADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl ZINC001300987596 1065800954 /nfs/dbraw/zinc/80/09/54/1065800954.db2.gz VAFMERDDIXCEBZ-JOCHJYFZSA-N 1 2 453.967 3.033 20 0 JGADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Cl ZINC001300987596 1065800964 /nfs/dbraw/zinc/80/09/64/1065800964.db2.gz VAFMERDDIXCEBZ-JOCHJYFZSA-N 1 2 453.967 3.033 20 0 JGADLO COC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)OC ZINC001301003747 1065832755 /nfs/dbraw/zinc/83/27/55/1065832755.db2.gz OBARGEDGHDVFNY-FQEVSTJZSA-N 1 2 459.978 3.484 20 0 JGADLO COC[C@H](F)Cn1c(-c2ccccc2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001301053442 1065902909 /nfs/dbraw/zinc/90/29/09/1065902909.db2.gz KMWGBGQNZSFNEI-HXUWFJFHSA-N 1 2 453.566 3.478 20 0 JGADLO COC[C@@H](F)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001301084377 1065935773 /nfs/dbraw/zinc/93/57/73/1065935773.db2.gz UYCKTDMILQQFCG-FQEVSTJZSA-N 1 2 454.550 3.180 20 0 JGADLO COCc1cccc(Cn2c(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)c1 ZINC001301172622 1066006556 /nfs/dbraw/zinc/00/65/56/1066006556.db2.gz XPMJONSNEHHIHW-DEOSSOPVSA-N 1 2 484.689 3.002 20 0 JGADLO COC[C@H]1CCCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2c[nH+]ccc2OC)C1 ZINC001301232583 1066051532 /nfs/dbraw/zinc/05/15/32/1066051532.db2.gz QBRWSEPTTFKKON-CYFREDJKSA-N 1 2 459.591 3.024 20 0 JGADLO COC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC001301376962 1066170618 /nfs/dbraw/zinc/17/06/18/1066170618.db2.gz WEBVLKUOGVBQGF-GHTZIAJQSA-N 1 2 452.559 3.091 20 0 JGADLO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC001301395844 1066176994 /nfs/dbraw/zinc/17/69/94/1066176994.db2.gz GKOOZUBZONIDGM-ICSRJNTNSA-N 1 2 454.550 3.145 20 0 JGADLO COCC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001301445039 1066256745 /nfs/dbraw/zinc/25/67/45/1066256745.db2.gz LWJUWIVTVMCUNG-XMMPIXPASA-N 1 2 471.005 3.103 20 0 JGADLO COCCO[C@H](C)c1nnc(N(C)[C@H]2CCSC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001301965876 1066270656 /nfs/dbraw/zinc/27/06/56/1066270656.db2.gz PRYJWEMULIMOBU-QUCCMNQESA-N 1 2 460.648 3.377 20 0 JGADLO COCC[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001301458767 1066277621 /nfs/dbraw/zinc/27/76/21/1066277621.db2.gz GCVYTCFDMMOASP-MHZLTWQESA-N 1 2 494.640 3.285 20 0 JGADLO CS(=O)(=O)c1ccc(OCCCC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC001301973639 1066279961 /nfs/dbraw/zinc/27/99/61/1066279961.db2.gz CDYYSTIYFGQLMG-UHFFFAOYSA-N 1 2 455.580 3.075 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001301984478 1066294742 /nfs/dbraw/zinc/29/47/42/1066294742.db2.gz PKPSDUWMOKKPDI-YCSHWKNNSA-N 1 2 471.646 3.476 20 0 JGADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001301991361 1066311291 /nfs/dbraw/zinc/31/12/91/1066311291.db2.gz NPBMSMJXLKYSHC-LQWHRVPQSA-N 1 2 472.615 3.012 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302001919 1066336815 /nfs/dbraw/zinc/33/68/15/1066336815.db2.gz UFXAOHNPKWBZBE-NBGIEHNGSA-N 1 2 493.718 3.393 20 0 JGADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001302004887 1066342224 /nfs/dbraw/zinc/34/22/24/1066342224.db2.gz XKLLVWQBJKUPDT-MOPGFXCFSA-N 1 2 474.675 3.312 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[C@@H](c3cccc(C)c3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302012827 1066357102 /nfs/dbraw/zinc/35/71/02/1066357102.db2.gz DIFVYSAZDVEGCN-JTHBVZDNSA-N 1 2 471.646 3.415 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[C@@H](c3cccc(C)c3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302012827 1066357116 /nfs/dbraw/zinc/35/71/16/1066357116.db2.gz DIFVYSAZDVEGCN-JTHBVZDNSA-N 1 2 471.646 3.415 20 0 JGADLO CC(C)(CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F)n1cc[nH+]c1 ZINC001301546630 1066375767 /nfs/dbraw/zinc/37/57/67/1066375767.db2.gz FJNILQYVJTWTDW-UHFFFAOYSA-N 1 2 457.254 3.410 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC(CO)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302031124 1066396783 /nfs/dbraw/zinc/39/67/83/1066396783.db2.gz VKHHCRASDFNYIM-FQEVSTJZSA-N 1 2 472.634 3.035 20 0 JGADLO COCCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001301580609 1066415821 /nfs/dbraw/zinc/41/58/21/1066415821.db2.gz ABVPJZIQFHDCCT-BGYRXZFFSA-N 1 2 499.660 3.499 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@H]1CCCSC1 ZINC001302044402 1066425351 /nfs/dbraw/zinc/42/53/51/1066425351.db2.gz VTICLERXAFUHMD-QZTJIDSGSA-N 1 2 460.648 3.169 20 0 JGADLO Cc1nc(CCC(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)oc1-c1ccc(Br)cc1 ZINC001302046339 1066429541 /nfs/dbraw/zinc/42/95/41/1066429541.db2.gz RMLMUEMQLPWKTE-SFHVURJKSA-N 1 2 458.360 3.252 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(OC)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001302051491 1066438184 /nfs/dbraw/zinc/43/81/84/1066438184.db2.gz GMULJULPPGQQSG-YADARESESA-N 1 2 456.591 3.288 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC[C@](C)(OC)CC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001302054144 1066445999 /nfs/dbraw/zinc/44/59/99/1066445999.db2.gz SNEVNSFNIWTCDE-NLFFAJNJSA-N 1 2 472.634 3.441 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCCc3sccc3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302064212 1066463134 /nfs/dbraw/zinc/46/31/34/1066463134.db2.gz AQCRQLQJKHAICU-SFHVURJKSA-N 1 2 463.648 3.127 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCCc3sccc3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302064212 1066463144 /nfs/dbraw/zinc/46/31/44/1066463144.db2.gz AQCRQLQJKHAICU-SFHVURJKSA-N 1 2 463.648 3.127 20 0 JGADLO COCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001301632286 1066494400 /nfs/dbraw/zinc/49/44/00/1066494400.db2.gz HCHCDEIZNQATCE-UHFFFAOYSA-N 1 2 452.559 3.023 20 0 JGADLO COCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001301632478 1066494416 /nfs/dbraw/zinc/49/44/16/1066494416.db2.gz JONOOPWEAYFJIM-LJQANCHMSA-N 1 2 465.017 3.379 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1ccc(OC)c(Cl)c1 ZINC001302086097 1066510453 /nfs/dbraw/zinc/51/04/53/1066510453.db2.gz XRPVPJOQLVVGID-SFHVURJKSA-N 1 2 487.004 3.434 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1C[C@H]1CCSC1(C)C ZINC001302088545 1066514396 /nfs/dbraw/zinc/51/43/96/1066514396.db2.gz FGGPOMRMYGTDFV-RTBURBONSA-N 1 2 478.663 3.152 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001302090452 1066517775 /nfs/dbraw/zinc/51/77/75/1066517775.db2.gz VJZMXJUMDFJHKA-MSOLQXFVSA-N 1 2 468.549 3.056 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1Cc1nccs1 ZINC001302090738 1066518158 /nfs/dbraw/zinc/51/81/58/1066518158.db2.gz XKNXQZPHNOULRX-KRWDZBQOSA-N 1 2 477.034 3.483 20 0 JGADLO Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)c(C)c1 ZINC001301657792 1066527001 /nfs/dbraw/zinc/52/70/01/1066527001.db2.gz DYNWLZMNGGGJKK-FQEVSTJZSA-N 1 2 450.004 3.107 20 0 JGADLO CC(=O)N1CC[C@H](CN(C)c2nnc(CCCc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301659288 1066527845 /nfs/dbraw/zinc/52/78/45/1066527845.db2.gz BULVMCKEZKSRCY-XMMPIXPASA-N 1 2 475.641 3.267 20 0 JGADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2[C@H]2C[C@@H]2C)CC1 ZINC001301659563 1066528325 /nfs/dbraw/zinc/52/83/25/1066528325.db2.gz LSPBVJIEQAPWLL-JTAQYXEDSA-N 1 2 482.673 3.487 20 0 JGADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2[C@@H]2C[C@H]2C)CC1 ZINC001301659566 1066529005 /nfs/dbraw/zinc/52/90/05/1066529005.db2.gz LSPBVJIEQAPWLL-ZRCGQRJVSA-N 1 2 482.673 3.487 20 0 JGADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(C)CC2)CC1 ZINC001301659796 1066529326 /nfs/dbraw/zinc/52/93/26/1066529326.db2.gz MUSHVYOUTIARHK-GOSISDBHSA-N 1 2 475.037 3.062 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCOCC3(CC3)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001302104821 1066539305 /nfs/dbraw/zinc/53/93/05/1066539305.db2.gz LJVJZRNTDAWSTG-YLJYHZDGSA-N 1 2 479.572 3.200 20 0 JGADLO COCCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001301683134 1066565881 /nfs/dbraw/zinc/56/58/81/1066565881.db2.gz LPZZXDKUFOPDQD-OALUTQOASA-N 1 2 484.576 3.308 20 0 JGADLO COCCN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001301702725 1066591609 /nfs/dbraw/zinc/59/16/09/1066591609.db2.gz DCAFWQFBEDSOCM-JOCHJYFZSA-N 1 2 455.628 3.395 20 0 JGADLO COCCO[C@H]1CCCN(c2nnc(-c3ccccc3C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302150053 1066601010 /nfs/dbraw/zinc/60/10/10/1066601010.db2.gz CCCMHCXPTUZAPW-NRFANRHFSA-N 1 2 450.587 3.395 20 0 JGADLO CN(OCC(F)(F)F)C(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)OC(C)(C)C ZINC001301717312 1066619486 /nfs/dbraw/zinc/61/94/86/1066619486.db2.gz ULVZTINGWAOQAK-KRWDZBQOSA-N 1 2 456.465 3.320 20 0 JGADLO COCCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001302179625 1066656223 /nfs/dbraw/zinc/65/62/23/1066656223.db2.gz OODRETSXMAXCRY-JRGCBEDISA-N 1 2 479.572 3.343 20 0 JGADLO COCCOC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001302189649 1066669014 /nfs/dbraw/zinc/66/90/14/1066669014.db2.gz JWFMTWJTAVLOOR-FYYLOGMGSA-N 1 2 486.661 3.338 20 0 JGADLO CC(C)(C)[NH+]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001302203120 1066699202 /nfs/dbraw/zinc/69/92/02/1066699202.db2.gz OIRHXONHLQGPQW-UHFFFAOYSA-N 1 2 486.686 3.484 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CCC2CC2)CC1 ZINC001301762851 1066701906 /nfs/dbraw/zinc/70/19/06/1066701906.db2.gz CBEOMNYYZSPFIZ-OAQYLSRUSA-N 1 2 468.646 3.435 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC(F)(F)F)CC1 ZINC001301763629 1066703718 /nfs/dbraw/zinc/70/37/18/1066703718.db2.gz GQUJFSPZSOQTPJ-OAHLLOKOSA-N 1 2 488.942 3.234 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCCC(C)(C)C2)CC1 ZINC001301763745 1066704365 /nfs/dbraw/zinc/70/43/65/1066704365.db2.gz IXKBBQFWGNKTKA-IBGZPJMESA-N 1 2 472.609 3.348 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001301765763 1066706754 /nfs/dbraw/zinc/70/67/54/1066706754.db2.gz YTMYOOQLBYONNL-NRFANRHFSA-N 1 2 495.455 3.450 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCCO3)nnc2N(Cc2ccc(F)cc2)C(C)C)CC1 ZINC001301766035 1066707135 /nfs/dbraw/zinc/70/71/35/1066707135.db2.gz AXBHPWWJQFWXIF-QHCPKHFHSA-N 1 2 472.609 3.238 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001301765796 1066707336 /nfs/dbraw/zinc/70/73/36/1066707336.db2.gz YYNLKMYHNNIUCF-XXBNENTESA-N 1 2 472.609 3.346 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001301770013 1066713614 /nfs/dbraw/zinc/71/36/14/1066713614.db2.gz IBIPZPFXDRXXNV-UHFFFAOYSA-N 1 2 471.005 3.224 20 0 JGADLO COCCN(CC(C)C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001301772109 1066715504 /nfs/dbraw/zinc/71/55/04/1066715504.db2.gz DIFMDYFEVYCGLB-NJDAHSKKSA-N 1 2 451.656 3.026 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CCCc3ccccc3)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001301775144 1066721207 /nfs/dbraw/zinc/72/12/07/1066721207.db2.gz NUQQTPFVHSUWHV-VXKWHMMOSA-N 1 2 452.647 3.242 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CCCc3ccccc3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001301775532 1066721827 /nfs/dbraw/zinc/72/18/27/1066721827.db2.gz QXLGBMZBIDOZGU-UHFFFAOYSA-N 1 2 474.600 3.099 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(Cl)ccc2OC)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302248259 1066780473 /nfs/dbraw/zinc/78/04/73/1066780473.db2.gz KOWVUUXJRYVJFA-SPEDKVCISA-N 1 2 494.036 3.021 20 0 JGADLO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001302252977 1066792428 /nfs/dbraw/zinc/79/24/28/1066792428.db2.gz HTXVGXVLNVZKRE-IBGZPJMESA-N 1 2 499.660 3.207 20 0 JGADLO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301832515 1066799265 /nfs/dbraw/zinc/79/92/65/1066799265.db2.gz LIRKTRVFFAGTPF-JOCHJYFZSA-N 1 2 477.613 3.088 20 0 JGADLO CC(=O)N[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301832518 1066799330 /nfs/dbraw/zinc/79/93/30/1066799330.db2.gz LIRKTRVFFAGTPF-QFIPXVFZSA-N 1 2 477.613 3.088 20 0 JGADLO CC(=O)NC1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001301835536 1066804064 /nfs/dbraw/zinc/80/40/64/1066804064.db2.gz PVEKBBMZKVYJMJ-OAQYLSRUSA-N 1 2 498.672 3.251 20 0 JGADLO CC(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001301859755 1066844378 /nfs/dbraw/zinc/84/43/78/1066844378.db2.gz VSNSGEFURNNYSB-HXUWFJFHSA-N 1 2 453.635 3.362 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CC(F)(F)F ZINC001302312677 1066908336 /nfs/dbraw/zinc/90/83/36/1066908336.db2.gz YYTNNVZGFRJHGA-WMZOPIPTSA-N 1 2 457.472 3.026 20 0 JGADLO CC(C)(C)[S@](=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001302320704 1066918704 /nfs/dbraw/zinc/91/87/04/1066918704.db2.gz HAGASHHYPFNSSJ-WJOKGBTCSA-N 1 2 458.657 3.271 20 0 JGADLO O=C(c1cc(Cl)ccc1I)N1CC[NH+](CCc2ccncc2)CC1 ZINC001301906662 1066931245 /nfs/dbraw/zinc/93/12/45/1066931245.db2.gz ZLVGYCXZTFQXBC-UHFFFAOYSA-N 1 2 455.727 3.340 20 0 JGADLO CC(C)=CCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001302371424 1066959319 /nfs/dbraw/zinc/95/93/19/1066959319.db2.gz OFKJEGSNOKQVQC-UHFFFAOYSA-N 1 2 454.623 3.321 20 0 JGADLO CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001302380019 1066963440 /nfs/dbraw/zinc/96/34/40/1066963440.db2.gz HPRLOUJDMMEXLS-DOTOQJQBSA-N 1 2 470.401 3.110 20 0 JGADLO CC(C)C(=O)N1CCCN(c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001302399015 1066978653 /nfs/dbraw/zinc/97/86/53/1066978653.db2.gz XXSHPDWJOXPQMG-UHFFFAOYSA-N 1 2 453.635 3.215 20 0 JGADLO CC(C)C(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001302403745 1066984585 /nfs/dbraw/zinc/98/45/85/1066984585.db2.gz OKQXUGIKQRMMIS-VQTJNVASSA-N 1 2 476.572 3.015 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001302408696 1066991429 /nfs/dbraw/zinc/99/14/29/1066991429.db2.gz JMJXQXCKFWLRKC-GOTSBHOMSA-N 1 2 468.646 3.044 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001302408696 1066991437 /nfs/dbraw/zinc/99/14/37/1066991437.db2.gz JMJXQXCKFWLRKC-GOTSBHOMSA-N 1 2 468.646 3.044 20 0 JGADLO COCCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)CC1 ZINC001301944565 1066996974 /nfs/dbraw/zinc/99/69/74/1066996974.db2.gz PEZZJIMVHCVCNY-UHFFFAOYSA-N 1 2 483.661 3.060 20 0 JGADLO CO[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCc2cccc(C)[nH+]2)C[C@@H]1OC ZINC001302419359 1067003982 /nfs/dbraw/zinc/00/39/82/1067003982.db2.gz OZTXWLWRNLGHHM-SZPZYZBQSA-N 1 2 455.534 3.182 20 0 JGADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001302432153 1067021233 /nfs/dbraw/zinc/02/12/33/1067021233.db2.gz ZFUAEYPTPLRIAX-UPVQGACJSA-N 1 2 482.673 3.464 20 0 JGADLO CC1(C)C[N@H+](CCn2c(Cc3ccc(F)cc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CCO1 ZINC001303980163 1067028094 /nfs/dbraw/zinc/02/80/94/1067028094.db2.gz RPIYAWVZIOCIGI-UHFFFAOYSA-N 1 2 497.537 3.467 20 0 JGADLO CC1(C)C[N@@H+](CCn2c(Cc3ccc(F)cc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CCO1 ZINC001303980163 1067028108 /nfs/dbraw/zinc/02/81/08/1067028108.db2.gz RPIYAWVZIOCIGI-UHFFFAOYSA-N 1 2 497.537 3.467 20 0 JGADLO CS(=O)(=O)[C@@H]1CCCCN(c2nnc(CC3CCCC3)n2CCCNc2cccc[nH+]2)C1 ZINC001302435022 1067028297 /nfs/dbraw/zinc/02/82/97/1067028297.db2.gz PEAOXSSCWVHWHD-HXUWFJFHSA-N 1 2 460.648 3.312 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H]3CCOC3)n2C[C@H](C)[NH+]2CCOCC2)c1C ZINC001304018408 1067062121 /nfs/dbraw/zinc/06/21/21/1067062121.db2.gz JIMQJTGVCYMHCL-KSEOMHKRSA-N 1 2 457.619 3.228 20 0 JGADLO CC(C)C(=O)NCCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001302459701 1067062769 /nfs/dbraw/zinc/06/27/69/1067062769.db2.gz QTURZZNYJMALDS-UHFFFAOYSA-N 1 2 497.594 3.399 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCS(C)(=O)=O)c1C ZINC001304025078 1067070696 /nfs/dbraw/zinc/07/06/96/1067070696.db2.gz FLDJQZBLXHIKMM-LJQANCHMSA-N 1 2 463.648 3.000 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H](C)[NH+]2CCOCC2)c1C ZINC001304027100 1067074314 /nfs/dbraw/zinc/07/43/14/1067074314.db2.gz XJJSDBMGEHYAKU-GGAORHGYSA-N 1 2 498.672 3.060 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@@H+]2CCOC[C@@H]2C)c1C ZINC001304031417 1067079918 /nfs/dbraw/zinc/07/99/18/1067079918.db2.gz UJXCCKUOZFGLDM-JTHBVZDNSA-N 1 2 498.672 3.060 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CC[N@H+]2CCOC[C@@H]2C)c1C ZINC001304031417 1067079933 /nfs/dbraw/zinc/07/99/33/1067079933.db2.gz UJXCCKUOZFGLDM-JTHBVZDNSA-N 1 2 498.672 3.060 20 0 JGADLO CC1=C(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001304032307 1067081440 /nfs/dbraw/zinc/08/14/40/1067081440.db2.gz VHYUSIQVEWMEDR-JOCHJYFZSA-N 1 2 487.670 3.252 20 0 JGADLO CC1=C(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001304032307 1067081449 /nfs/dbraw/zinc/08/14/49/1067081449.db2.gz VHYUSIQVEWMEDR-JOCHJYFZSA-N 1 2 487.670 3.252 20 0 JGADLO CC(C)[C@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001302497211 1067095608 /nfs/dbraw/zinc/09/56/08/1067095608.db2.gz KMRSLMXAMHBHSO-RUZDIDTESA-N 1 2 452.578 3.439 20 0 JGADLO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCCCCC1)[NH+]1CCOCC1 ZINC001302514078 1067129548 /nfs/dbraw/zinc/12/95/48/1067129548.db2.gz NKBSLDKRVONCSF-FQEVSTJZSA-N 1 2 455.607 3.053 20 0 JGADLO Cc1ccoc1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001304114879 1067154698 /nfs/dbraw/zinc/15/46/98/1067154698.db2.gz ICMAYSWWWVOLDN-FQEVSTJZSA-N 1 2 488.633 3.111 20 0 JGADLO CS[C@H](C)Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001302552602 1067189938 /nfs/dbraw/zinc/18/99/38/1067189938.db2.gz DZJPABAYRWSXCM-QGZVFWFLSA-N 1 2 474.034 3.341 20 0 JGADLO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCOC[C@H]3C)CC2)c(C)o1 ZINC001304147475 1067193066 /nfs/dbraw/zinc/19/30/66/1067193066.db2.gz SXWFFJZGSKWDAI-GOSISDBHSA-N 1 2 486.661 3.196 20 0 JGADLO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCOC[C@H]3C)CC2)c(C)o1 ZINC001304147475 1067193072 /nfs/dbraw/zinc/19/30/72/1067193072.db2.gz SXWFFJZGSKWDAI-GOSISDBHSA-N 1 2 486.661 3.196 20 0 JGADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)C2)c1 ZINC001302563514 1067202929 /nfs/dbraw/zinc/20/29/29/1067202929.db2.gz XKXZCMLHIHDZIU-ILBGXUMGSA-N 1 2 451.611 3.465 20 0 JGADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)C2)c1 ZINC001302563514 1067202936 /nfs/dbraw/zinc/20/29/36/1067202936.db2.gz XKXZCMLHIHDZIU-ILBGXUMGSA-N 1 2 451.611 3.465 20 0 JGADLO CC(C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCCc1cnn(C)c1 ZINC001302573927 1067213267 /nfs/dbraw/zinc/21/32/67/1067213267.db2.gz VWUIBKOIJYLRLW-HXUWFJFHSA-N 1 2 457.648 3.339 20 0 JGADLO CS[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)C(C)(C)C ZINC001302577680 1067215625 /nfs/dbraw/zinc/21/56/25/1067215625.db2.gz KEHYFQDWJMOHAW-IFMALSPDSA-N 1 2 489.734 3.282 20 0 JGADLO CS[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC001302581914 1067220596 /nfs/dbraw/zinc/22/05/96/1067220596.db2.gz TYTBLTDDCGXQPJ-SFHVURJKSA-N 1 2 480.642 3.425 20 0 JGADLO CS[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)C(C)(C)C ZINC001302582202 1067221012 /nfs/dbraw/zinc/22/10/12/1067221012.db2.gz WRMCJPMOBHILSL-ZWKOTPCHSA-N 1 2 477.704 3.094 20 0 JGADLO C[NH+]1CCN(C2CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)C3CCCCCC3)CC2)CC1 ZINC001302596501 1067233381 /nfs/dbraw/zinc/23/33/81/1067233381.db2.gz GVHKJRLUEJNKEZ-QFIPXVFZSA-N 1 2 450.668 3.336 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(COc4cc(C)cc(C)c4)n3CC(=O)NC(C)C)CC2)s1 ZINC001304183454 1067233493 /nfs/dbraw/zinc/23/34/93/1067233493.db2.gz VGMGOVAJOJNDOI-UHFFFAOYSA-N 1 2 497.669 3.086 20 0 JGADLO Cc1cccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)c1 ZINC001304205087 1067251315 /nfs/dbraw/zinc/25/13/15/1067251315.db2.gz KYKRHZZVGZWJKR-UXHICEINSA-N 1 2 473.668 3.489 20 0 JGADLO Cc1cc(Cn2c(CC(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)ccc1F ZINC001304221466 1067261827 /nfs/dbraw/zinc/26/18/27/1067261827.db2.gz JEERTLFEUIQYGE-HXUWFJFHSA-N 1 2 456.610 3.105 20 0 JGADLO Cc1cc(Cn2c(CC(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)cs1 ZINC001304221493 1067261855 /nfs/dbraw/zinc/26/18/55/1067261855.db2.gz JNGNOFXQABYGAH-QFIPXVFZSA-N 1 2 460.692 3.126 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C(C)C)n3CCN(C)CC(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC001304245064 1067279906 /nfs/dbraw/zinc/27/99/06/1067279906.db2.gz FRHPAMKZXNWYOP-UHFFFAOYSA-N 1 2 468.572 3.444 20 0 JGADLO Cc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCCCNC(=O)OC(C)(C)C ZINC001304245112 1067280035 /nfs/dbraw/zinc/28/00/35/1067280035.db2.gz HEHNRNQDVIHSQW-UHFFFAOYSA-N 1 2 472.638 3.440 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCc3ccccc3F)CC2)nc(C(C)C)[nH+]1 ZINC001304245127 1067280050 /nfs/dbraw/zinc/28/00/50/1067280050.db2.gz HQJUQPRSUQOBPR-UHFFFAOYSA-N 1 2 494.619 3.347 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC001304245545 1067280629 /nfs/dbraw/zinc/28/06/29/1067280629.db2.gz MBNNZOQFRPJQLE-UHFFFAOYSA-N 1 2 454.623 3.155 20 0 JGADLO CSc1ccccc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2[nH+]1 ZINC001302656813 1067285236 /nfs/dbraw/zinc/28/52/36/1067285236.db2.gz AGUYGQIIOOYEDV-KRWDZBQOSA-N 1 2 499.666 3.137 20 0 JGADLO CSc1ccccc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2[nH+]1 ZINC001302656814 1067285343 /nfs/dbraw/zinc/28/53/43/1067285343.db2.gz AGUYGQIIOOYEDV-QGZVFWFLSA-N 1 2 499.666 3.137 20 0 JGADLO CSc1ccccc1CN(C)c1nnc(Cc2ccncc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302663917 1067290891 /nfs/dbraw/zinc/29/08/91/1067290891.db2.gz SQBNFXXAZCBJBP-LJQANCHMSA-N 1 2 452.628 3.343 20 0 JGADLO CS[C@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302664851 1067292487 /nfs/dbraw/zinc/29/24/87/1067292487.db2.gz HWTOYSWCETXNNE-GBXCKJPGSA-N 1 2 481.707 3.151 20 0 JGADLO Cc1ccc(C(=O)NCCn2c(C(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC001304259652 1067294080 /nfs/dbraw/zinc/29/40/80/1067294080.db2.gz DIFSYMRSPWPFBN-UHFFFAOYSA-N 1 2 451.550 3.001 20 0 JGADLO CS[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001302675640 1067301172 /nfs/dbraw/zinc/30/11/72/1067301172.db2.gz ACCXVXKXMSDXMC-NRSPTQNISA-N 1 2 495.690 3.344 20 0 JGADLO CS[C@H]1CCCCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001302676479 1067301658 /nfs/dbraw/zinc/30/16/58/1067301658.db2.gz DLPKVQQOQDHZJW-MOPGFXCFSA-N 1 2 463.623 3.439 20 0 JGADLO CS[C@H]1CCCCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001302676754 1067301922 /nfs/dbraw/zinc/30/19/22/1067301922.db2.gz HRXDVWLMTGKKSN-QFIPXVFZSA-N 1 2 491.105 3.408 20 0 JGADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(Cl)cc1F ZINC001302682145 1067307801 /nfs/dbraw/zinc/30/78/01/1067307801.db2.gz ZICBJJBAGHECNC-QGZVFWFLSA-N 1 2 463.001 3.375 20 0 JGADLO CS[C@@H]1CCCCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001302682418 1067308178 /nfs/dbraw/zinc/30/81/78/1067308178.db2.gz XCWUKTAAWBWSML-LJQANCHMSA-N 1 2 492.640 3.033 20 0 JGADLO CC(C)c1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302685489 1067310365 /nfs/dbraw/zinc/31/03/65/1067310365.db2.gz GGXALMCMRXDMDB-MRXNPFEDSA-N 1 2 468.433 3.151 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001302692170 1067317709 /nfs/dbraw/zinc/31/77/09/1067317709.db2.gz GXFPKTQSJXFBKT-PMACEKPBSA-N 1 2 454.610 3.068 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2CCc2cn3ccccc3[nH+]2)c1 ZINC001304282008 1067322870 /nfs/dbraw/zinc/32/28/70/1067322870.db2.gz FKYDFWUNOUAFSX-IBGZPJMESA-N 1 2 461.570 3.064 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001304287820 1067331041 /nfs/dbraw/zinc/33/10/41/1067331041.db2.gz KFMJVYYAZJRHMK-GOTSBHOMSA-N 1 2 471.646 3.446 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001304291482 1067339232 /nfs/dbraw/zinc/33/92/32/1067339232.db2.gz MWYIEKJVTJUMDA-GGAORHGYSA-N 1 2 471.646 3.446 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001302725766 1067341583 /nfs/dbraw/zinc/34/15/83/1067341583.db2.gz JHAYJWHAVNRGHE-IPJJNNNSSA-N 1 2 491.727 3.205 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302725766 1067341595 /nfs/dbraw/zinc/34/15/95/1067341595.db2.gz JHAYJWHAVNRGHE-IPJJNNNSSA-N 1 2 491.727 3.205 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001302725768 1067342033 /nfs/dbraw/zinc/34/20/33/1067342033.db2.gz JHAYJWHAVNRGHE-JQVVWYNYSA-N 1 2 491.727 3.205 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001302725768 1067342043 /nfs/dbraw/zinc/34/20/43/1067342043.db2.gz JHAYJWHAVNRGHE-JQVVWYNYSA-N 1 2 491.727 3.205 20 0 JGADLO CSCC[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)[nH+]1 ZINC001302727566 1067343238 /nfs/dbraw/zinc/34/32/38/1067343238.db2.gz RGOZHSDMZKMXLI-MSOLQXFVSA-N 1 2 451.662 3.094 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302727834 1067343857 /nfs/dbraw/zinc/34/38/57/1067343857.db2.gz UHPZBOJOHMTNIC-DLBZAZTESA-N 1 2 453.603 3.446 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC001304295013 1067344064 /nfs/dbraw/zinc/34/40/64/1067344064.db2.gz ARDCLSLPYOFYER-UHFFFAOYSA-N 1 2 461.570 3.491 20 0 JGADLO Cc1ccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ccc(N(C)C)[nH+]c2)cc1Br ZINC001304295294 1067344502 /nfs/dbraw/zinc/34/45/02/1067344502.db2.gz ZCDMIADVQPSEJC-HNNXBMFYSA-N 1 2 486.418 3.225 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@@H]2C)o1 ZINC001304295654 1067344999 /nfs/dbraw/zinc/34/49/99/1067344999.db2.gz HQDWVSNPTZMAGE-INIZCTEOSA-N 1 2 472.977 3.296 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@@H]2C)o1 ZINC001304295654 1067345011 /nfs/dbraw/zinc/34/50/11/1067345011.db2.gz HQDWVSNPTZMAGE-INIZCTEOSA-N 1 2 472.977 3.296 20 0 JGADLO Cc1ccc(-c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC001304298020 1067347136 /nfs/dbraw/zinc/34/71/36/1067347136.db2.gz SOLTYSPMNXUMAE-RBUKOAKNSA-N 1 2 482.610 3.397 20 0 JGADLO CC(C)[C@@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302746999 1067355250 /nfs/dbraw/zinc/35/52/50/1067355250.db2.gz MDJRMSRFJJBDRL-BURNTYAHSA-N 1 2 476.666 3.394 20 0 JGADLO CC(C)[C@@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302746999 1067355255 /nfs/dbraw/zinc/35/52/55/1067355255.db2.gz MDJRMSRFJJBDRL-BURNTYAHSA-N 1 2 476.666 3.394 20 0 JGADLO CC(C)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001302764421 1067364703 /nfs/dbraw/zinc/36/47/03/1067364703.db2.gz UPPQUNXABNPRAM-FXAWDEMLSA-N 1 2 460.573 3.464 20 0 JGADLO Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001304320671 1067367958 /nfs/dbraw/zinc/36/79/58/1067367958.db2.gz LJOUUXAXKGEZJM-IBGZPJMESA-N 1 2 451.575 3.097 20 0 JGADLO CC(C)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CCS1 ZINC001302779005 1067374861 /nfs/dbraw/zinc/37/48/61/1067374861.db2.gz LYWMMLFTRVDSMI-JBACZVJFSA-N 1 2 495.690 3.200 20 0 JGADLO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCS1 ZINC001302779007 1067374891 /nfs/dbraw/zinc/37/48/91/1067374891.db2.gz LYWMMLFTRVDSMI-NRSPTQNISA-N 1 2 495.690 3.200 20 0 JGADLO Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001304329200 1067377694 /nfs/dbraw/zinc/37/76/94/1067377694.db2.gz CAQXMCUGRZYDGX-NRFANRHFSA-N 1 2 454.619 3.177 20 0 JGADLO Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001304329200 1067377701 /nfs/dbraw/zinc/37/77/01/1067377701.db2.gz CAQXMCUGRZYDGX-NRFANRHFSA-N 1 2 454.619 3.177 20 0 JGADLO Cc1ccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNc2cccc[nH+]2)o1 ZINC001304331346 1067378751 /nfs/dbraw/zinc/37/87/51/1067378751.db2.gz MRGBWRUWIQZAHD-MSOLQXFVSA-N 1 2 473.603 3.028 20 0 JGADLO CSCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001302787351 1067378881 /nfs/dbraw/zinc/37/88/81/1067378881.db2.gz DQSRPSXEBVPBPB-VXKWHMMOSA-N 1 2 459.660 3.353 20 0 JGADLO CSCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001302788878 1067380488 /nfs/dbraw/zinc/38/04/88/1067380488.db2.gz KGVFOIVAAGELCL-HXUWFJFHSA-N 1 2 492.715 3.049 20 0 JGADLO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)CCS1 ZINC001302790227 1067381743 /nfs/dbraw/zinc/38/17/43/1067381743.db2.gz YPROAZTWTYKQOQ-JSXRDJHFSA-N 1 2 465.708 3.495 20 0 JGADLO CSCCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001302792687 1067383971 /nfs/dbraw/zinc/38/39/71/1067383971.db2.gz DWLKQZTVKGMIAE-IBGZPJMESA-N 1 2 494.706 3.404 20 0 JGADLO CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001302798481 1067387458 /nfs/dbraw/zinc/38/74/58/1067387458.db2.gz YDLVFWWNEVAJCB-LSQMVHIFSA-N 1 2 490.737 3.159 20 0 JGADLO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001302807552 1067395031 /nfs/dbraw/zinc/39/50/31/1067395031.db2.gz RIBXRQSODQYCRT-SMIHKQSGSA-N 1 2 490.737 3.258 20 0 JGADLO Cc1ccc(Cn2c(CC(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC001304359237 1067398041 /nfs/dbraw/zinc/39/80/41/1067398041.db2.gz WDTNCQAMAACMEU-DEOSSOPVSA-N 1 2 454.663 3.065 20 0 JGADLO Cc1ccc(Cn2c(CC(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC001304359239 1067398337 /nfs/dbraw/zinc/39/83/37/1067398337.db2.gz WDTNCQAMAACMEU-XMMPIXPASA-N 1 2 454.663 3.065 20 0 JGADLO Cc1ccc(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001304367419 1067407406 /nfs/dbraw/zinc/40/74/06/1067407406.db2.gz DJEQFWUUADSLLO-LJQANCHMSA-N 1 2 483.642 3.398 20 0 JGADLO CC(C)Cc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001302830481 1067419866 /nfs/dbraw/zinc/41/98/66/1067419866.db2.gz UVHAPDHFBJKTNY-UWVAXJGDSA-N 1 2 453.628 3.176 20 0 JGADLO CC(C)Cc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001302830479 1067419919 /nfs/dbraw/zinc/41/99/19/1067419919.db2.gz UVHAPDHFBJKTNY-HLIPFELVSA-N 1 2 453.628 3.176 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001304382779 1067431412 /nfs/dbraw/zinc/43/14/12/1067431412.db2.gz HRTVCMAKNNZLOV-QFIPXVFZSA-N 1 2 484.645 3.119 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001304382779 1067431414 /nfs/dbraw/zinc/43/14/14/1067431414.db2.gz HRTVCMAKNNZLOV-QFIPXVFZSA-N 1 2 484.645 3.119 20 0 JGADLO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1F ZINC001302850704 1067435518 /nfs/dbraw/zinc/43/55/18/1067435518.db2.gz RMZCYSIVUUSIGB-MNEFBYGVSA-N 1 2 461.563 3.039 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCCSC2)cc1C ZINC001304404855 1067467721 /nfs/dbraw/zinc/46/77/21/1067467721.db2.gz UYENNLZMRAGRSA-OAQYLSRUSA-N 1 2 459.660 3.386 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001304412250 1067480850 /nfs/dbraw/zinc/48/08/50/1067480850.db2.gz JESVETIBQHRJGV-YADHBBJMSA-N 1 2 498.672 3.017 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001304412247 1067480959 /nfs/dbraw/zinc/48/09/59/1067480959.db2.gz JESVETIBQHRJGV-FCHUYYIVSA-N 1 2 498.672 3.017 20 0 JGADLO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)C[C@H](C)O1 ZINC001302901966 1067486559 /nfs/dbraw/zinc/48/65/59/1067486559.db2.gz VLMMSNIVRYDFER-KEGLGMRESA-N 1 2 466.051 3.055 20 0 JGADLO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccc(Cl)cc3)n2CC2([S@](C)=O)CC2)C[C@H](C)O1 ZINC001302901966 1067486563 /nfs/dbraw/zinc/48/65/63/1067486563.db2.gz VLMMSNIVRYDFER-KEGLGMRESA-N 1 2 466.051 3.055 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)n2CC(C)(C)O)cc1 ZINC001304417830 1067490878 /nfs/dbraw/zinc/49/08/78/1067490878.db2.gz DYRMBUKTAULAEN-UHFFFAOYSA-N 1 2 479.629 3.485 20 0 JGADLO CC(C)Cc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCc1ccc(S(C)(=O)=O)cc1 ZINC001302907453 1067492479 /nfs/dbraw/zinc/49/24/79/1067492479.db2.gz ISFHACOGBPGWFZ-UHFFFAOYSA-N 1 2 482.654 3.147 20 0 JGADLO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001302923835 1067503904 /nfs/dbraw/zinc/50/39/04/1067503904.db2.gz VECRXULNZNYJJE-IBGZPJMESA-N 1 2 451.619 3.498 20 0 JGADLO Cc1ccc(OCCN(C)c2nnc(Cc3ccsc3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001304429586 1067507402 /nfs/dbraw/zinc/50/74/02/1067507402.db2.gz RDIRMOXHSPEDOY-HXUWFJFHSA-N 1 2 455.628 3.475 20 0 JGADLO Cc1ccc(OCCN(C)c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001304429586 1067507407 /nfs/dbraw/zinc/50/74/07/1067507407.db2.gz RDIRMOXHSPEDOY-HXUWFJFHSA-N 1 2 455.628 3.475 20 0 JGADLO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001304443352 1067525377 /nfs/dbraw/zinc/52/53/77/1067525377.db2.gz SHRXOTVZHQSBLC-NFBKMPQASA-N 1 2 484.645 3.414 20 0 JGADLO Cc1cccc(CCCn2c(-c3ccc(Br)s3)nnc2N2CC[C@H](C(N)=O)C2)[nH+]1 ZINC001304481257 1067561055 /nfs/dbraw/zinc/56/10/55/1067561055.db2.gz CQBNLSITAQHGMS-AWEZNQCLSA-N 1 2 475.416 3.417 20 0 JGADLO Cc1cccc(CC2(O)CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)[NH+]3CCOCC3)CC2)c1 ZINC001304482173 1067561684 /nfs/dbraw/zinc/56/16/84/1067561684.db2.gz MRPODOBKFISSGO-QFIPXVFZSA-N 1 2 469.674 3.470 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)[nH+]1 ZINC001304483937 1067563324 /nfs/dbraw/zinc/56/33/24/1067563324.db2.gz YXXJULUHDVHDQG-HXUWFJFHSA-N 1 2 483.661 3.131 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(F)(F)F)CC2)[nH+]1 ZINC001304486104 1067564623 /nfs/dbraw/zinc/56/46/23/1067564623.db2.gz IYNAWHGIPQUCQN-MRXNPFEDSA-N 1 2 471.549 3.295 20 0 JGADLO Cc1cccc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](C(N)=O)C2)[nH+]1 ZINC001304486160 1067564897 /nfs/dbraw/zinc/56/48/97/1067564897.db2.gz KCQVZRLWIKTEDC-QGZVFWFLSA-N 1 2 454.525 3.185 20 0 JGADLO Cc1cccc(CCCn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)[nH+]1 ZINC001304486402 1067565224 /nfs/dbraw/zinc/56/52/24/1067565224.db2.gz LMRTZNDSCRIBCQ-HXUWFJFHSA-N 1 2 462.602 3.202 20 0 JGADLO Cc1cccc(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001304487062 1067565668 /nfs/dbraw/zinc/56/56/68/1067565668.db2.gz RPRSBXZUARPLLU-VQTJNVASSA-N 1 2 483.617 3.011 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC001304487480 1067566095 /nfs/dbraw/zinc/56/60/95/1067566095.db2.gz ZNZJAJDBWHCLDL-FQEVSTJZSA-N 1 2 497.644 3.449 20 0 JGADLO Cc1cccc(CCCn2c(N3CCC[C@H](NC(=O)C(C)C)C3)nnc2[C@@]2(OC(C)C)CCOC2)[nH+]1 ZINC001304488541 1067566984 /nfs/dbraw/zinc/56/69/84/1067566984.db2.gz KQQFYYCTBXQBNR-WNCULLNHSA-N 1 2 498.672 3.396 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C(N)=O)C2)[nH+]1 ZINC001304489463 1067568098 /nfs/dbraw/zinc/56/80/98/1067568098.db2.gz ZUJZWZSQRKCRCD-HMXCVIKNSA-N 1 2 454.619 3.235 20 0 JGADLO CC(C)CC[C@@](C)(O)Cn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303023179 1067575522 /nfs/dbraw/zinc/57/55/22/1067575522.db2.gz UPZXBKZQTIJSEL-CLJLJLNGSA-N 1 2 486.661 3.228 20 0 JGADLO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001304511623 1067587287 /nfs/dbraw/zinc/58/72/87/1067587287.db2.gz PWVDHLAOKXHEFV-UHFFFAOYSA-N 1 2 477.675 3.299 20 0 JGADLO Cc1ccccc1-c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001304522024 1067596892 /nfs/dbraw/zinc/59/68/92/1067596892.db2.gz MVYDEGRFQYDYMP-FXAWDEMLSA-N 1 2 461.657 3.487 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCNC(=O)C(C)(C)C ZINC001304532630 1067603734 /nfs/dbraw/zinc/60/37/34/1067603734.db2.gz UOVAJYAGVDTZMR-UHFFFAOYSA-N 1 2 461.614 3.440 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001304534684 1067605104 /nfs/dbraw/zinc/60/51/04/1067605104.db2.gz KLGHKNICAFMESY-VXKWHMMOSA-N 1 2 489.686 3.014 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304534684 1067605108 /nfs/dbraw/zinc/60/51/08/1067605108.db2.gz KLGHKNICAFMESY-VXKWHMMOSA-N 1 2 489.686 3.014 20 0 JGADLO Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC1([S@](C)=O)CCC1 ZINC001304538549 1067610191 /nfs/dbraw/zinc/61/01/91/1067610191.db2.gz UJYYUIMSGMCZOW-YTTGMZPUSA-N 1 2 459.660 3.102 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001304549673 1067618991 /nfs/dbraw/zinc/61/89/91/1067618991.db2.gz AHCLPGFHFFAHSI-JTHBVZDNSA-N 1 2 498.672 3.344 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001304549673 1067618992 /nfs/dbraw/zinc/61/89/92/1067618992.db2.gz AHCLPGFHFFAHSI-JTHBVZDNSA-N 1 2 498.672 3.344 20 0 JGADLO Cc1ccccc1OCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001304577821 1067646144 /nfs/dbraw/zinc/64/61/44/1067646144.db2.gz VEKBBCVIJJHDLH-UHFFFAOYSA-N 1 2 456.978 3.149 20 0 JGADLO Cc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(N(C)C)[nH+]c3)C2)n1 ZINC001304617560 1067685470 /nfs/dbraw/zinc/68/54/70/1067685470.db2.gz BHEWEMBNPHVERF-GOSISDBHSA-N 1 2 468.631 3.075 20 0 JGADLO CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C(=O)Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001303148355 1067687136 /nfs/dbraw/zinc/68/71/36/1067687136.db2.gz GFBIVFJVQOTRGO-UHFFFAOYSA-N 1 2 453.568 3.481 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)cs1 ZINC001304647640 1067715402 /nfs/dbraw/zinc/71/54/02/1067715402.db2.gz BFABMBYMEOCIJF-UHFFFAOYSA-N 1 2 496.685 3.418 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCCS(=O)(=O)Cc2ccccc2)CC1 ZINC001303192098 1067726420 /nfs/dbraw/zinc/72/64/20/1067726420.db2.gz MTNKSQWRGDHLHY-HSZRJFAPSA-N 1 2 489.686 3.303 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CCOc3ccccc3C)n2C[C@H](C)[NH+]2CCOCC2)cs1 ZINC001304660036 1067727968 /nfs/dbraw/zinc/72/79/68/1067727968.db2.gz RYIOCRKXBCBPAD-IBGZPJMESA-N 1 2 470.643 3.178 20 0 JGADLO Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@H+]2CCOC[C@H]2C)cs1 ZINC001304664129 1067730614 /nfs/dbraw/zinc/73/06/14/1067730614.db2.gz MVVBUAVAHZASGI-CQSZACIVSA-N 1 2 458.554 3.133 20 0 JGADLO Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@@H+]2CCOC[C@H]2C)cs1 ZINC001304664129 1067730619 /nfs/dbraw/zinc/73/06/19/1067730619.db2.gz MVVBUAVAHZASGI-CQSZACIVSA-N 1 2 458.554 3.133 20 0 JGADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C2CCCCC2)C1 ZINC001303201566 1067737441 /nfs/dbraw/zinc/73/74/41/1067737441.db2.gz LYBFHAAHQAWBGW-QFIPXVFZSA-N 1 2 489.686 3.474 20 0 JGADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C2CCCCC2)C1 ZINC001303201566 1067737453 /nfs/dbraw/zinc/73/74/53/1067737453.db2.gz LYBFHAAHQAWBGW-QFIPXVFZSA-N 1 2 489.686 3.474 20 0 JGADLO Cc1nc(Cc2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2CC(C)(C)C(C)C)cs1 ZINC001304672862 1067742091 /nfs/dbraw/zinc/74/20/91/1067742091.db2.gz IJNCZPHFHXCMRH-IBGZPJMESA-N 1 2 487.718 3.449 20 0 JGADLO CC(C)COC(=O)N1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001303218809 1067756463 /nfs/dbraw/zinc/75/64/63/1067756463.db2.gz VEICSSBTMWHJGD-UHFFFAOYSA-N 1 2 469.634 3.435 20 0 JGADLO Cc1nnc(CCn2c(Cc3ccccc3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)[nH]1 ZINC001304684761 1067757060 /nfs/dbraw/zinc/75/70/60/1067757060.db2.gz QBCRPULTWHWHQD-UHFFFAOYSA-N 1 2 450.635 3.405 20 0 JGADLO CC(C)CO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001303230565 1067765004 /nfs/dbraw/zinc/76/50/04/1067765004.db2.gz REPBRRKNEDCPJO-RBUKOAKNSA-N 1 2 463.573 3.119 20 0 JGADLO Cc1ncc(CN(C)c2nnc(COc3ccccc3F)n2C[C@@H](C)[NH+]2CCOCC2)s1 ZINC001304693222 1067766543 /nfs/dbraw/zinc/76/65/43/1067766543.db2.gz HUUJXENPPYSWTB-MRXNPFEDSA-N 1 2 460.579 3.118 20 0 JGADLO CC(C)CSCCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001303242189 1067771146 /nfs/dbraw/zinc/77/11/46/1067771146.db2.gz YQPXLZMQOJIPFV-UHFFFAOYSA-N 1 2 473.691 3.187 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCNC(=O)C(C)(C)C)CC2)s1 ZINC001304700763 1067771317 /nfs/dbraw/zinc/77/13/17/1067771317.db2.gz XCAMROSRTFITOS-UHFFFAOYSA-N 1 2 461.680 3.116 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOCCCO)CC2)s1 ZINC001304700764 1067771506 /nfs/dbraw/zinc/77/15/06/1067771506.db2.gz XCQVHDRTBCOIRX-UHFFFAOYSA-N 1 2 495.024 3.224 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C/C=C/c3ccccc3)CC2)s1 ZINC001304701044 1067771820 /nfs/dbraw/zinc/77/18/20/1067771820.db2.gz YKZOTQNGUWJOIW-JXMROGBWSA-N 1 2 465.627 3.217 20 0 JGADLO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCNc2cccc[nH+]2)CC1 ZINC001303251411 1067777261 /nfs/dbraw/zinc/77/72/61/1067777261.db2.gz BZIUXCSUXDDRPP-UHFFFAOYSA-N 1 2 450.591 3.254 20 0 JGADLO CC(C)N(C)C(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001303256175 1067782832 /nfs/dbraw/zinc/78/28/32/1067782832.db2.gz VZPQXQUDOWHMTD-NRFANRHFSA-N 1 2 469.634 3.112 20 0 JGADLO Cc1nccnc1N1CCN(c2nnc(CC(C)C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001304712691 1067784016 /nfs/dbraw/zinc/78/40/16/1067784016.db2.gz KMIKTLFYDOSVIE-OAQYLSRUSA-N 1 2 484.599 3.483 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)n1 ZINC001304735795 1067810048 /nfs/dbraw/zinc/81/00/48/1067810048.db2.gz KVOPHYFJKFUIAN-WOJBJXKFSA-N 1 2 455.582 3.197 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)n1 ZINC001304735795 1067810059 /nfs/dbraw/zinc/81/00/59/1067810059.db2.gz KVOPHYFJKFUIAN-WOJBJXKFSA-N 1 2 455.582 3.197 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)n1 ZINC001304744913 1067823672 /nfs/dbraw/zinc/82/36/72/1067823672.db2.gz JFAUMMHPKXNRAR-UHFFFAOYSA-N 1 2 478.576 3.303 20 0 JGADLO CC(C)[NH+]1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 ZINC001303316929 1067844992 /nfs/dbraw/zinc/84/49/92/1067844992.db2.gz GKMMXLGYWQRDDE-UHFFFAOYSA-N 1 2 459.660 3.156 20 0 JGADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCCOc3ccccc3)CC2)C1 ZINC001303318056 1067848117 /nfs/dbraw/zinc/84/81/17/1067848117.db2.gz HZPANIFSTKLZAH-DEOSSOPVSA-N 1 2 484.689 3.276 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCCSC3)CC2)C1 ZINC001303318060 1067848225 /nfs/dbraw/zinc/84/82/25/1067848225.db2.gz ICRZKIOCMQOVQL-FCHUYYIVSA-N 1 2 478.751 3.241 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@]1(C)CCCS1 ZINC001303330434 1067859905 /nfs/dbraw/zinc/85/99/05/1067859905.db2.gz POEAGMRUPYOXGT-FDDCHVKYSA-N 1 2 492.715 3.273 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)CC2CCCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001303336797 1067866515 /nfs/dbraw/zinc/86/65/15/1067866515.db2.gz FVDTXSWQUCWJHN-LJQANCHMSA-N 1 2 469.634 3.101 20 0 JGADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC001303337540 1067867346 /nfs/dbraw/zinc/86/73/46/1067867346.db2.gz AQWQECVMKAOSNG-FQEVSTJZSA-N 1 2 451.596 3.253 20 0 JGADLO CC[C@H]1COCC[N@H+]1CCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC001303337540 1067867353 /nfs/dbraw/zinc/86/73/53/1067867353.db2.gz AQWQECVMKAOSNG-FQEVSTJZSA-N 1 2 451.596 3.253 20 0 JGADLO CC(C)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001303353020 1067879785 /nfs/dbraw/zinc/87/97/85/1067879785.db2.gz MUWYZWOWQNQIRB-HDICACEKSA-N 1 2 457.648 3.180 20 0 JGADLO CC(C)NC(=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001303353022 1067879902 /nfs/dbraw/zinc/87/99/02/1067879902.db2.gz MUWYZWOWQNQIRB-QZTJIDSGSA-N 1 2 457.648 3.180 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001303373006 1067903149 /nfs/dbraw/zinc/90/31/49/1067903149.db2.gz GNTSFWHQUQKRQA-UHFFFAOYSA-N 1 2 469.634 3.244 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@H](c1cccnc1)C(C)C ZINC001303379423 1067908914 /nfs/dbraw/zinc/90/89/14/1067908914.db2.gz PJFBEKNJLDWHEJ-JOCHJYFZSA-N 1 2 476.629 3.275 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4ccccn4)n3CCCCNC(=O)OC(C)(C)C)CC2)on1 ZINC001304899305 1067943171 /nfs/dbraw/zinc/94/31/71/1067943171.db2.gz CFTUVIHLOGBYMZ-UHFFFAOYSA-N 1 2 496.616 3.264 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)C)n3CCCCNC(=O)OC(C)(C)C)CC2)on1 ZINC001304899913 1067943617 /nfs/dbraw/zinc/94/36/17/1067943617.db2.gz JSFKPVZEIZRKAY-UHFFFAOYSA-N 1 2 461.611 3.325 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCN(CC(F)(F)F)C3)CC2)on1 ZINC001304900945 1067944567 /nfs/dbraw/zinc/94/45/67/1067944567.db2.gz VVNFCIPHEKVYKI-GOSISDBHSA-N 1 2 483.583 3.370 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3Cc3cccc(Br)n3)CC2)on1 ZINC001304901988 1067945610 /nfs/dbraw/zinc/94/56/10/1067945610.db2.gz PAOZWPVPZPXAPJ-UHFFFAOYSA-N 1 2 474.407 3.301 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(Cc4ccncc4)n3CCSC(F)(F)F)CC2)on1 ZINC001304901846 1067945666 /nfs/dbraw/zinc/94/56/66/1067945666.db2.gz NCNQEYRMSVGAIK-UHFFFAOYSA-N 1 2 467.521 3.136 20 0 JGADLO CC(C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001303427563 1067952662 /nfs/dbraw/zinc/95/26/62/1067952662.db2.gz NVGIZXZXOQFJHD-UHFFFAOYSA-N 1 2 451.550 3.023 20 0 JGADLO CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3Cl)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001303481237 1068001797 /nfs/dbraw/zinc/00/17/97/1068001797.db2.gz NPPJOQIJERIXLH-NTKDMRAZSA-N 1 2 478.037 3.329 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCC(C)(F)F)CCOC1 ZINC001303497127 1068024270 /nfs/dbraw/zinc/02/42/70/1068024270.db2.gz OLOFFNXJKDPRIX-QHCPKHFHSA-N 1 2 464.561 3.388 20 0 JGADLO C[C@H]1CCC[C@H](NC(=O)CN2CCN(c3nnc(C(C)(C)C)n3CCCNc3cccc[nH+]3)CC2)C1 ZINC001304996140 1068038530 /nfs/dbraw/zinc/03/85/30/1068038530.db2.gz NCMAEXLJLQBNRV-VXKWHMMOSA-N 1 2 496.704 3.290 20 0 JGADLO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(c3nnc(C(C)(C)C)n3CCCNc3cccc[nH+]3)CC2)C1 ZINC001304996129 1068038830 /nfs/dbraw/zinc/03/88/30/1068038830.db2.gz NCMAEXLJLQBNRV-FCHUYYIVSA-N 1 2 496.704 3.290 20 0 JGADLO C[C@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001305009569 1068050849 /nfs/dbraw/zinc/05/08/49/1068050849.db2.gz XRUMRUPEIBIEJL-SFHVURJKSA-N 1 2 468.627 3.484 20 0 JGADLO CC(C)OC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001303528114 1068057066 /nfs/dbraw/zinc/05/70/66/1068057066.db2.gz XLLODFDRGIWJHD-VQTJNVASSA-N 1 2 476.572 3.204 20 0 JGADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCOC(F)F)CC1 ZINC001305017923 1068062285 /nfs/dbraw/zinc/06/22/85/1068062285.db2.gz QTLWQYMKLBQKQA-IBGZPJMESA-N 1 2 476.572 3.097 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001305036019 1068092447 /nfs/dbraw/zinc/09/24/47/1068092447.db2.gz RHGWRDLLIDZLJQ-WOJBJXKFSA-N 1 2 489.690 3.338 20 0 JGADLO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001303601720 1068131422 /nfs/dbraw/zinc/13/14/22/1068131422.db2.gz KUPVASARQOSZRX-UPTQXZAWSA-N 1 2 459.660 3.375 20 0 JGADLO C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccccc2F)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305065480 1068137498 /nfs/dbraw/zinc/13/74/98/1068137498.db2.gz HESXNNHXDTXBRX-IBGZPJMESA-N 1 2 495.603 3.376 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C ZINC001305095980 1068162827 /nfs/dbraw/zinc/16/28/27/1068162827.db2.gz RKJJDBGVPBGLLW-VGUOSERISA-N 1 2 463.623 3.105 20 0 JGADLO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303643850 1068171534 /nfs/dbraw/zinc/17/15/34/1068171534.db2.gz AFSIFRXZNRJFSA-ZDUSSCGKSA-N 1 2 490.381 3.056 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001305109523 1068179548 /nfs/dbraw/zinc/17/95/48/1068179548.db2.gz RASZMXLVFQMLRL-ADAARDCZSA-N 1 2 476.666 3.252 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001305109523 1068179551 /nfs/dbraw/zinc/17/95/51/1068179551.db2.gz RASZMXLVFQMLRL-ADAARDCZSA-N 1 2 476.666 3.252 20 0 JGADLO C[C@H]1CN(c2ccc(Cn3c([C@@H]4CCCCO4)nnc3N(C)CCC(F)F)c[nH+]2)CCO1 ZINC001305121326 1068204023 /nfs/dbraw/zinc/20/40/23/1068204023.db2.gz IFNSONBQDMVPGE-WMZOPIPTSA-N 1 2 450.534 3.280 20 0 JGADLO C[C@H](Cn1c(-c2cccnc2)nnc1N(C)CC[NH+]1CCOCC1)Oc1ccc(Cl)cc1 ZINC001303703479 1068248039 /nfs/dbraw/zinc/24/80/39/1068248039.db2.gz RAQCQMWFTSSHNQ-GOSISDBHSA-N 1 2 456.978 3.229 20 0 JGADLO C[C@H](Cn1c(C2CCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC001303714553 1068261245 /nfs/dbraw/zinc/26/12/45/1068261245.db2.gz ZMCVRMFVGHJANV-GUDVDZBRSA-N 1 2 459.660 3.250 20 0 JGADLO C[C@H](Cn1c(C2CCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC001303714553 1068261257 /nfs/dbraw/zinc/26/12/57/1068261257.db2.gz ZMCVRMFVGHJANV-GUDVDZBRSA-N 1 2 459.660 3.250 20 0 JGADLO C[C@@H](Cn1c(CC2CC2)nnc1N(C)Cc1ccc(Br)s1)[NH+]1CCOCC1 ZINC001303733110 1068289061 /nfs/dbraw/zinc/28/90/61/1068289061.db2.gz QESJNHSRKAOIQK-AWEZNQCLSA-N 1 2 454.438 3.412 20 0 JGADLO C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303733154 1068289136 /nfs/dbraw/zinc/28/91/36/1068289136.db2.gz QSPOIZXMJVGTER-AZUAARDMSA-N 1 2 490.674 3.097 20 0 JGADLO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC2CCCC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001303734856 1068291295 /nfs/dbraw/zinc/29/12/95/1068291295.db2.gz QDNKIQNHGRJGGK-FCHUYYIVSA-N 1 2 482.673 3.387 20 0 JGADLO C[C@H](Cn1c(N2CCC(CO)(Cc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001303739763 1068299986 /nfs/dbraw/zinc/29/99/86/1068299986.db2.gz WAMMDQKGBKYKRO-OAQYLSRUSA-N 1 2 455.647 3.118 20 0 JGADLO C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCNc2cccc[nH+]2)CCN1CC(F)(F)F ZINC001305198260 1068323195 /nfs/dbraw/zinc/32/31/95/1068323195.db2.gz QLMVTYDFDXSRAP-SFHVURJKSA-N 1 2 474.535 3.234 20 0 JGADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[N@H+]1CC=CCC1 ZINC001303771006 1068346005 /nfs/dbraw/zinc/34/60/05/1068346005.db2.gz HRNWANXJGPLSFI-SFHVURJKSA-N 1 2 477.700 3.407 20 0 JGADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[N@@H+]1CC=CCC1 ZINC001303771006 1068346019 /nfs/dbraw/zinc/34/60/19/1068346019.db2.gz HRNWANXJGPLSFI-SFHVURJKSA-N 1 2 477.700 3.407 20 0 JGADLO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305213989 1068346769 /nfs/dbraw/zinc/34/67/69/1068346769.db2.gz WFHYSIMCNATTRO-YESZJQIVSA-N 1 2 484.428 3.498 20 0 JGADLO C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC(C)(C)O1 ZINC001305214436 1068347639 /nfs/dbraw/zinc/34/76/39/1068347639.db2.gz FBZGOMMJINGOAI-IBGZPJMESA-N 1 2 474.625 3.026 20 0 JGADLO C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC(C)(C)O1 ZINC001305214436 1068347657 /nfs/dbraw/zinc/34/76/57/1068347657.db2.gz FBZGOMMJINGOAI-IBGZPJMESA-N 1 2 474.625 3.026 20 0 JGADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303771806 1068348789 /nfs/dbraw/zinc/34/87/89/1068348789.db2.gz QZEQYCBRXRGYDN-AEFFLSMTSA-N 1 2 471.583 3.457 20 0 JGADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001303778930 1068356108 /nfs/dbraw/zinc/35/61/08/1068356108.db2.gz NIBQMHSQVICXOU-OXQOHEQNSA-N 1 2 451.612 3.247 20 0 JGADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001303780178 1068357810 /nfs/dbraw/zinc/35/78/10/1068357810.db2.gz AOJYSJLTTQQPBF-UWJYYQICSA-N 1 2 465.639 3.322 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233773 1068379977 /nfs/dbraw/zinc/37/99/77/1068379977.db2.gz FHRRBWBRVOKTEG-HKBOAZHASA-N 1 2 492.665 3.076 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233773 1068379986 /nfs/dbraw/zinc/37/99/86/1068379986.db2.gz FHRRBWBRVOKTEG-HKBOAZHASA-N 1 2 492.665 3.076 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC1(C)C ZINC001305234152 1068382032 /nfs/dbraw/zinc/38/20/32/1068382032.db2.gz LLLCMJHYFTVABT-LJQANCHMSA-N 1 2 476.666 3.492 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC1(C)C ZINC001305234152 1068382047 /nfs/dbraw/zinc/38/20/47/1068382047.db2.gz LLLCMJHYFTVABT-LJQANCHMSA-N 1 2 476.666 3.492 20 0 JGADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccn1 ZINC001305234878 1068384614 /nfs/dbraw/zinc/38/46/14/1068384614.db2.gz YNNUGFQKHNNKHY-FQEVSTJZSA-N 1 2 499.660 3.145 20 0 JGADLO C[C@H]1COCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccn1 ZINC001305234878 1068384631 /nfs/dbraw/zinc/38/46/31/1068384631.db2.gz YNNUGFQKHNNKHY-FQEVSTJZSA-N 1 2 499.660 3.145 20 0 JGADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCCC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305234639 1068384915 /nfs/dbraw/zinc/38/49/15/1068384915.db2.gz UQIAINAYBFYJSD-MOPGFXCFSA-N 1 2 475.659 3.257 20 0 JGADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCCC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305234639 1068384931 /nfs/dbraw/zinc/38/49/31/1068384931.db2.gz UQIAINAYBFYJSD-MOPGFXCFSA-N 1 2 475.659 3.257 20 0 JGADLO C[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303797865 1068388981 /nfs/dbraw/zinc/38/89/81/1068388981.db2.gz LONCPSBXKNYXOV-CMKODMSKSA-N 1 2 462.639 3.006 20 0 JGADLO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC001305259038 1068425106 /nfs/dbraw/zinc/42/51/06/1068425106.db2.gz OGBHPXRRJAAGKM-ZRNYENFQSA-N 1 2 494.706 3.401 20 0 JGADLO CCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001305274867 1068476811 /nfs/dbraw/zinc/47/68/11/1068476811.db2.gz DIPHWCMLFAHVLV-UHFFFAOYSA-N 1 2 484.645 3.143 20 0 JGADLO CC(C)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001303847941 1068482385 /nfs/dbraw/zinc/48/23/85/1068482385.db2.gz WCVCGNORVMQTJO-IEBWSBKVSA-N 1 2 489.621 3.134 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001303866182 1068503046 /nfs/dbraw/zinc/50/30/46/1068503046.db2.gz YHICHACUXRHLRJ-HQRMLTQVSA-N 1 2 499.056 3.002 20 0 JGADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc([C@H](C)O)cc2)CC1 ZINC001303886780 1068523707 /nfs/dbraw/zinc/52/37/07/1068523707.db2.gz BOZSVJIMTMHMEX-RTWAWAEBSA-N 1 2 482.673 3.101 20 0 JGADLO C[C@H](O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC001303886783 1068523832 /nfs/dbraw/zinc/52/38/32/1068523832.db2.gz BOZSVJIMTMHMEX-SFTDATJTSA-N 1 2 482.673 3.101 20 0 JGADLO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001305320895 1068538205 /nfs/dbraw/zinc/53/82/05/1068538205.db2.gz KAVMUSGHWGQYQD-KBMIEXCESA-N 1 2 489.064 3.140 20 0 JGADLO CC(C)[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001303898320 1068539891 /nfs/dbraw/zinc/53/98/91/1068539891.db2.gz OJCZKZUEPQXVQU-GOSISDBHSA-N 1 2 479.622 3.055 20 0 JGADLO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305321999 1068540653 /nfs/dbraw/zinc/54/06/53/1068540653.db2.gz JMEHTNDRTYJHOI-DFBJGRDBSA-N 1 2 450.587 3.472 20 0 JGADLO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305321998 1068540691 /nfs/dbraw/zinc/54/06/91/1068540691.db2.gz JMEHTNDRTYJHOI-CLOONOSVSA-N 1 2 450.587 3.472 20 0 JGADLO C[C@H](Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)Cc1cnccn1)[NH+]1CCOCC1 ZINC001303907013 1068553305 /nfs/dbraw/zinc/55/33/05/1068553305.db2.gz PVYGAUVDNLMMFG-QZTJIDSGSA-N 1 2 471.993 3.219 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCCNc1cccc[nH+]1 ZINC001303931980 1068590370 /nfs/dbraw/zinc/59/03/70/1068590370.db2.gz MMSCGQWVDJSNAS-ROUUACIJSA-N 1 2 467.549 3.121 20 0 JGADLO CC[C@H](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1)OC ZINC001305356945 1068606619 /nfs/dbraw/zinc/60/66/19/1068606619.db2.gz WAMQJBDWIRHQML-YDHSSHFGSA-N 1 2 475.609 3.313 20 0 JGADLO CC[C@H](C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001305368955 1068624154 /nfs/dbraw/zinc/62/41/54/1068624154.db2.gz KFEVNLRQLJYXCD-OXJNMPFZSA-N 1 2 498.644 3.233 20 0 JGADLO CC[C@H](C)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305370428 1068625199 /nfs/dbraw/zinc/62/51/99/1068625199.db2.gz XHYMCNAPIMJDGS-GBESFXJTSA-N 1 2 463.648 3.113 20 0 JGADLO CC[C@H](C)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001305371587 1068625708 /nfs/dbraw/zinc/62/57/08/1068625708.db2.gz WXYQKTCHBSYDDP-GBESFXJTSA-N 1 2 451.637 3.481 20 0 JGADLO CC[C@H](C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CC1(C(N)=O)CCCC1 ZINC001305377630 1068630950 /nfs/dbraw/zinc/63/09/50/1068630950.db2.gz RSXKXRQIVNMCDS-RBUKOAKNSA-N 1 2 474.675 3.409 20 0 JGADLO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccc(NC(=O)c2ccco2)cc1 ZINC001305396396 1068639534 /nfs/dbraw/zinc/63/95/34/1068639534.db2.gz CDNSSNDAWXOADH-IBGZPJMESA-N 1 2 466.586 3.454 20 0 JGADLO CC[C@H](C)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305414709 1068653215 /nfs/dbraw/zinc/65/32/15/1068653215.db2.gz RHHGONFEEPQQSL-ZJOUEHCJSA-N 1 2 499.660 3.421 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305441236 1068676576 /nfs/dbraw/zinc/67/65/76/1068676576.db2.gz FLINOKUWPFGPAU-ZCNNSNEGSA-N 1 2 464.655 3.206 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305441236 1068676581 /nfs/dbraw/zinc/67/65/81/1068676581.db2.gz FLINOKUWPFGPAU-ZCNNSNEGSA-N 1 2 464.655 3.206 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001305450814 1068686004 /nfs/dbraw/zinc/68/60/04/1068686004.db2.gz RTYWPTAQGRYTHG-IBGZPJMESA-N 1 2 485.658 3.276 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001305450815 1068686027 /nfs/dbraw/zinc/68/60/27/1068686027.db2.gz RTYWPTAQGRYTHG-LJQANCHMSA-N 1 2 485.658 3.276 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305450879 1068686714 /nfs/dbraw/zinc/68/67/14/1068686714.db2.gz TUSSEVZHRWLVGF-OALUTQOASA-N 1 2 464.655 3.253 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305450879 1068686718 /nfs/dbraw/zinc/68/67/18/1068686718.db2.gz TUSSEVZHRWLVGF-OALUTQOASA-N 1 2 464.655 3.253 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001305461465 1068704450 /nfs/dbraw/zinc/70/44/50/1068704450.db2.gz XOQMGUGYUKGEQS-GOSISDBHSA-N 1 2 462.639 3.150 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305485510 1068722589 /nfs/dbraw/zinc/72/25/89/1068722589.db2.gz JQNSNCFHKHYOFO-UFYCRDLUSA-N 1 2 497.692 3.423 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305485510 1068722601 /nfs/dbraw/zinc/72/26/01/1068722601.db2.gz JQNSNCFHKHYOFO-UFYCRDLUSA-N 1 2 497.692 3.423 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001305508081 1068745883 /nfs/dbraw/zinc/74/58/83/1068745883.db2.gz DUQKFTYGDSOIFD-FPOVZHCZSA-N 1 2 477.650 3.468 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001305508081 1068745889 /nfs/dbraw/zinc/74/58/89/1068745889.db2.gz DUQKFTYGDSOIFD-FPOVZHCZSA-N 1 2 477.650 3.468 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001305516616 1068764561 /nfs/dbraw/zinc/76/45/61/1068764561.db2.gz QUGMPGNURUIJNM-JTHBVZDNSA-N 1 2 497.688 3.323 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001305516616 1068764566 /nfs/dbraw/zinc/76/45/66/1068764566.db2.gz QUGMPGNURUIJNM-JTHBVZDNSA-N 1 2 497.688 3.323 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001305517756 1068766658 /nfs/dbraw/zinc/76/66/58/1068766658.db2.gz ZVJZNHPLBPNRGL-RBUKOAKNSA-N 1 2 462.639 3.102 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCc1cc(C)ccc1OC ZINC001305518518 1068768128 /nfs/dbraw/zinc/76/81/28/1068768128.db2.gz KBXPBIQSLGUDSM-FGZHOGPDSA-N 1 2 482.673 3.484 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCc1cc(C)ccc1OC ZINC001305518517 1068768250 /nfs/dbraw/zinc/76/82/50/1068768250.db2.gz KBXPBIQSLGUDSM-FCHUYYIVSA-N 1 2 482.673 3.484 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](OC)c1ccc(F)cc1 ZINC001305520295 1068772025 /nfs/dbraw/zinc/77/20/25/1068772025.db2.gz VYLFSRMOJJSWOL-MZKRTTBSSA-N 1 2 486.636 3.451 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001305520374 1068772459 /nfs/dbraw/zinc/77/24/59/1068772459.db2.gz WTFMHSHHYCULHJ-RTBURBONSA-N 1 2 472.609 3.121 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001305533132 1068792047 /nfs/dbraw/zinc/79/20/47/1068792047.db2.gz MPSCYNUOWADAMR-GOSISDBHSA-N 1 2 477.617 3.358 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305534853 1068795187 /nfs/dbraw/zinc/79/51/87/1068795187.db2.gz IZACZRLANCDKEF-ISKFKSNPSA-N 1 2 482.673 3.478 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CCNC(=O)c1cccc(C)c1 ZINC001305538604 1068804840 /nfs/dbraw/zinc/80/48/40/1068804840.db2.gz NACSTMSQYWNWDZ-LJQANCHMSA-N 1 2 465.602 3.149 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1Cc1conc1COC ZINC001305539100 1068806450 /nfs/dbraw/zinc/80/64/50/1068806450.db2.gz CTDKEWAFJGVEJL-KRWDZBQOSA-N 1 2 472.565 3.444 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1C[C@]1(O)CCSC1 ZINC001305539689 1068807540 /nfs/dbraw/zinc/80/75/40/1068807540.db2.gz GIFXUVXQEUHQBM-UZUQRXQVSA-N 1 2 463.623 3.130 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001305542885 1068816553 /nfs/dbraw/zinc/81/65/53/1068816553.db2.gz GOXDBOURLKMGLQ-IFMALSPDSA-N 1 2 459.660 3.124 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(C)s1 ZINC001305543162 1068817054 /nfs/dbraw/zinc/81/70/54/1068817054.db2.gz HRAQEWGCGOTAGL-FPOVZHCZSA-N 1 2 460.692 3.441 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1csc(C)c1 ZINC001305544387 1068821114 /nfs/dbraw/zinc/82/11/14/1068821114.db2.gz PLHCQPWIAKFTRS-SIKLNZKXSA-N 1 2 460.692 3.441 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCc1cccc(OC)c1 ZINC001305544579 1068821639 /nfs/dbraw/zinc/82/16/39/1068821639.db2.gz RAPCHACQMFPIHG-WIOPSUGQSA-N 1 2 484.689 3.274 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001305571896 1068845681 /nfs/dbraw/zinc/84/56/81/1068845681.db2.gz ZXKZISOCKMOGHU-QXGSTGNESA-N 1 2 462.545 3.307 20 0 JGADLO CC[C@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001305584858 1068854552 /nfs/dbraw/zinc/85/45/52/1068854552.db2.gz JSNZPKPIGNYHAA-YUXAGFNASA-N 1 2 454.619 3.093 20 0 JGADLO CC[C@@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305592615 1068859551 /nfs/dbraw/zinc/85/95/51/1068859551.db2.gz NLESDURZAVKRGF-XLIONFOSSA-N 1 2 466.638 3.123 20 0 JGADLO CC[C@@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305592615 1068859567 /nfs/dbraw/zinc/85/95/67/1068859567.db2.gz NLESDURZAVKRGF-XLIONFOSSA-N 1 2 466.638 3.123 20 0 JGADLO CC[C@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305597564 1068862002 /nfs/dbraw/zinc/86/20/02/1068862002.db2.gz FPEUXIOKQXKLQZ-RBUKOAKNSA-N 1 2 452.607 3.219 20 0 JGADLO CC[C@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305597562 1068862077 /nfs/dbraw/zinc/86/20/77/1068862077.db2.gz FPEUXIOKQXKLQZ-OALUTQOASA-N 1 2 452.607 3.219 20 0 JGADLO CC[C@@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305598951 1068862572 /nfs/dbraw/zinc/86/25/72/1068862572.db2.gz OLLKMBYGBRXRES-IEBWSBKVSA-N 1 2 452.611 3.052 20 0 JGADLO CC[C@@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305598951 1068862584 /nfs/dbraw/zinc/86/25/84/1068862584.db2.gz OLLKMBYGBRXRES-IEBWSBKVSA-N 1 2 452.611 3.052 20 0 JGADLO CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305642290 1068962603 /nfs/dbraw/zinc/96/26/03/1068962603.db2.gz HSJZFHLGRQKGLE-TXTKFYIRSA-N 1 2 483.661 3.223 20 0 JGADLO CC[C@@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC001305659347 1068999836 /nfs/dbraw/zinc/99/98/36/1068999836.db2.gz QONCQFWPIYMCQK-IFMALSPDSA-N 1 2 494.606 3.473 20 0 JGADLO CC[C@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1(C(=O)N(C)C)CCCC1)c1ccccc1 ZINC001305660006 1069000328 /nfs/dbraw/zinc/00/03/28/1069000328.db2.gz VSJPHXQGZLAYBK-QHCPKHFHSA-N 1 2 482.673 3.237 20 0 JGADLO CC[C@H](c1nnc(N2CCC(CCC(N)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C)c1ccccc1 ZINC001305661539 1069001658 /nfs/dbraw/zinc/00/16/58/1069001658.db2.gz DOGRZCHOJQXJHU-OFNKIYASSA-N 1 2 468.646 3.023 20 0 JGADLO CC[C@H](c1nnc(N2CCC(CCC(N)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C)c1ccccc1 ZINC001305661539 1069001673 /nfs/dbraw/zinc/00/16/73/1069001673.db2.gz DOGRZCHOJQXJHU-OFNKIYASSA-N 1 2 468.646 3.023 20 0 JGADLO CC[C@@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1CCCCS1(=O)=O)c1ccccc1 ZINC001305673474 1069024126 /nfs/dbraw/zinc/02/41/26/1069024126.db2.gz FAFBRLHNXLVKFA-FGZHOGPDSA-N 1 2 459.660 3.318 20 0 JGADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc[nH+]1 ZINC001305692716 1069062218 /nfs/dbraw/zinc/06/22/18/1069062218.db2.gz JQHCSROUWVFSQT-XFBWCDHKSA-N 1 2 469.767 3.354 20 0 JGADLO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001305709358 1069104041 /nfs/dbraw/zinc/10/40/41/1069104041.db2.gz CNRIGNQVFLHVOM-QFIPXVFZSA-N 1 2 481.707 3.086 20 0 JGADLO CCC(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(C)C)CC1)[NH+]1CCOCC1 ZINC001305711815 1069111575 /nfs/dbraw/zinc/11/15/75/1069111575.db2.gz DKQUUEZKVWOWIE-XZOQPEGZSA-N 1 2 495.734 3.190 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCCO2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001305731773 1069151869 /nfs/dbraw/zinc/15/18/69/1069151869.db2.gz QEROYCBRRJXOSA-LJQANCHMSA-N 1 2 469.565 3.185 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H]2CC)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305738792 1069162837 /nfs/dbraw/zinc/16/28/37/1069162837.db2.gz MCXKIKZBKDYERP-KNKQGSTJSA-N 1 2 483.661 3.490 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@H]2CC)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305738794 1069163094 /nfs/dbraw/zinc/16/30/94/1069163094.db2.gz MCXKIKZBKDYERP-XQBPLPMBSA-N 1 2 483.661 3.490 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001305738547 1069164390 /nfs/dbraw/zinc/16/43/90/1069164390.db2.gz BHCWWWSZLKZANX-KRWDZBQOSA-N 1 2 498.550 3.440 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305739606 1069168148 /nfs/dbraw/zinc/16/81/48/1069168148.db2.gz OVXFCGLYWCQZAF-HBFSDRIKSA-N 1 2 483.665 3.322 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305739606 1069168156 /nfs/dbraw/zinc/16/81/56/1069168156.db2.gz OVXFCGLYWCQZAF-HBFSDRIKSA-N 1 2 483.665 3.322 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@H]1CCC[C@@H]1C ZINC001305783732 1069278436 /nfs/dbraw/zinc/27/84/36/1069278436.db2.gz GMENJAHGLMCYJJ-PKOBYXMFSA-N 1 2 454.623 3.058 20 0 JGADLO COc1ccccc1N1CC[NH+](CCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000045284886 563183816 /nfs/dbraw/zinc/18/38/16/563183816.db2.gz AQKSXUFYPJNQLY-UHFFFAOYSA-N 1 2 468.623 3.015 20 0 JGADLO NC(=O)c1ccc(C(F)(F)N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)nc1Cl ZINC001164421823 718889672 /nfs/dbraw/zinc/88/96/72/718889672.db2.gz YLQFFKPUXLNKLK-LBPRGKRZSA-N 1 2 486.704 3.367 20 0 JGADLO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164422152 718891117 /nfs/dbraw/zinc/89/11/17/718891117.db2.gz ZYTQEEDFKBQGBX-SNVBAGLBSA-N 1 2 484.692 3.491 20 0 JGADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccccc4Cl)nc(C)c3C)CC2)C1=O ZINC001164644447 719282371 /nfs/dbraw/zinc/28/23/71/719282371.db2.gz JSKDTUOEHVKVLD-UHFFFAOYSA-N 1 2 458.006 3.173 20 0 JGADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccccc4Cl)nc(C)c3C)CC2)C1=O ZINC001164644447 719282374 /nfs/dbraw/zinc/28/23/74/719282374.db2.gz JSKDTUOEHVKVLD-UHFFFAOYSA-N 1 2 458.006 3.173 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1C(C)(C)C(=O)N3)CC2 ZINC001164659536 719352989 /nfs/dbraw/zinc/35/29/89/719352989.db2.gz QRAYWOBEPOAVNX-UHFFFAOYSA-N 1 2 457.582 3.401 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1C(C)(C)C(=O)N3)CC2 ZINC001164659536 719352990 /nfs/dbraw/zinc/35/29/90/719352990.db2.gz QRAYWOBEPOAVNX-UHFFFAOYSA-N 1 2 457.582 3.401 20 0 JGADLO COC(=O)c1ccc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164673786 719498519 /nfs/dbraw/zinc/49/85/19/719498519.db2.gz SAKRZUGIZIYGPA-UHFFFAOYSA-N 1 2 450.514 3.427 20 0 JGADLO COC(=O)c1ccc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164673786 719498522 /nfs/dbraw/zinc/49/85/22/719498522.db2.gz SAKRZUGIZIYGPA-UHFFFAOYSA-N 1 2 450.514 3.427 20 0 JGADLO CC(C)CCNS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673365 719523837 /nfs/dbraw/zinc/52/38/37/719523837.db2.gz QEFHWXQVEMYXTH-UHFFFAOYSA-N 1 2 490.645 3.417 20 0 JGADLO CC(C)CCNS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673365 719523841 /nfs/dbraw/zinc/52/38/41/719523841.db2.gz QEFHWXQVEMYXTH-UHFFFAOYSA-N 1 2 490.645 3.417 20 0 JGADLO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)cc2C1 ZINC001164677072 719531887 /nfs/dbraw/zinc/53/18/87/719531887.db2.gz BLNXVUFXEZTYOV-FQEVSTJZSA-N 1 2 468.573 3.155 20 0 JGADLO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)cc2C1 ZINC001164677072 719531897 /nfs/dbraw/zinc/53/18/97/719531897.db2.gz BLNXVUFXEZTYOV-FQEVSTJZSA-N 1 2 468.573 3.155 20 0 JGADLO Cn1ncc2c1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C[C@H]2COc1cccnc1 ZINC001164688023 719595753 /nfs/dbraw/zinc/59/57/53/719595753.db2.gz SQRCKSLOQZCBRS-NRFANRHFSA-N 1 2 467.577 3.346 20 0 JGADLO Cn1ncc2c1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C[C@H]2COc1cccnc1 ZINC001164688023 719595762 /nfs/dbraw/zinc/59/57/62/719595762.db2.gz SQRCKSLOQZCBRS-NRFANRHFSA-N 1 2 467.577 3.346 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)cnc2c1 ZINC001164701865 719851884 /nfs/dbraw/zinc/85/18/84/719851884.db2.gz LGJVMBVJUQOYAQ-QRWLVFNGSA-N 1 2 454.905 3.061 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(C3OCCCO3)cc2)cn1 ZINC001164703725 719864101 /nfs/dbraw/zinc/86/41/01/719864101.db2.gz KGZQTDJNHRMLFG-HOFKKMOUSA-N 1 2 481.593 3.417 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(C)c1 ZINC001164696666 719878353 /nfs/dbraw/zinc/87/83/53/719878353.db2.gz ANINVYGXJXYBGT-GAJHUEQPSA-N 1 2 460.962 3.463 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)nnc(Cl)c1N1CCCCC1 ZINC001164699755 719880481 /nfs/dbraw/zinc/88/04/81/719880481.db2.gz IAFULPNNJPQUPI-VFNWGFHPSA-N 1 2 472.417 3.006 20 0 JGADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709021 719936258 /nfs/dbraw/zinc/93/62/58/719936258.db2.gz WGBZECWBXIHMAO-UHFFFAOYSA-N 1 2 496.015 3.169 20 0 JGADLO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)c12 ZINC001164710974 720104551 /nfs/dbraw/zinc/10/45/51/720104551.db2.gz MKTMKPMTLBOJBB-IBGZPJMESA-N 1 2 464.570 3.037 20 0 JGADLO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(C[C@@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)c12 ZINC001164710974 720104575 /nfs/dbraw/zinc/10/45/75/720104575.db2.gz MKTMKPMTLBOJBB-IBGZPJMESA-N 1 2 464.570 3.037 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)C2)C1 ZINC001164720139 720259380 /nfs/dbraw/zinc/25/93/80/720259380.db2.gz RTFQONBKIDEKIP-HXUWFJFHSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)C2)C1 ZINC001164720139 720259382 /nfs/dbraw/zinc/25/93/82/720259382.db2.gz RTFQONBKIDEKIP-HXUWFJFHSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C2)C1 ZINC001164721273 720280082 /nfs/dbraw/zinc/28/00/82/720280082.db2.gz IUZWODQMAMTVHG-QGZVFWFLSA-N 1 2 471.763 3.252 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)c(Cl)nc3Cl)C2)C1 ZINC001164721273 720280095 /nfs/dbraw/zinc/28/00/95/720280095.db2.gz IUZWODQMAMTVHG-QGZVFWFLSA-N 1 2 471.763 3.252 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C2)C1 ZINC001164722841 720303641 /nfs/dbraw/zinc/30/36/41/720303641.db2.gz MBYVWCVKAVGCEO-HSZRJFAPSA-N 1 2 494.970 3.492 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)C2)C1 ZINC001164722841 720303649 /nfs/dbraw/zinc/30/36/49/720303649.db2.gz MBYVWCVKAVGCEO-HSZRJFAPSA-N 1 2 494.970 3.492 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(Cl)c3)C2)C1 ZINC001164725516 720305895 /nfs/dbraw/zinc/30/58/95/720305895.db2.gz WNBKAWKTQORHSW-JOCHJYFZSA-N 1 2 480.396 3.241 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(Cl)c3)C2)C1 ZINC001164725516 720305902 /nfs/dbraw/zinc/30/59/02/720305902.db2.gz WNBKAWKTQORHSW-JOCHJYFZSA-N 1 2 480.396 3.241 20 0 JGADLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164725526 720312160 /nfs/dbraw/zinc/31/21/60/720312160.db2.gz WUELLFDLDIYUFU-DEOSSOPVSA-N 1 2 459.598 3.052 20 0 JGADLO CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164725526 720312166 /nfs/dbraw/zinc/31/21/66/720312166.db2.gz WUELLFDLDIYUFU-DEOSSOPVSA-N 1 2 459.598 3.052 20 0 JGADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164823320 720364673 /nfs/dbraw/zinc/36/46/73/720364673.db2.gz DSPQYTWLULSCIA-UHFFFAOYSA-N 1 2 492.045 3.298 20 0 JGADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164823320 720364678 /nfs/dbraw/zinc/36/46/78/720364678.db2.gz DSPQYTWLULSCIA-UHFFFAOYSA-N 1 2 492.045 3.298 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5nccc(Cl)c5cn4)CC3)C2=O)cs1 ZINC001164823114 720368761 /nfs/dbraw/zinc/36/87/61/720368761.db2.gz ARZAJZAKQQFLJM-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5nccc(Cl)c5cn4)CC3)C2=O)cs1 ZINC001164823114 720368769 /nfs/dbraw/zinc/36/87/69/720368769.db2.gz ARZAJZAKQQFLJM-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5sc(C)nc54)CC3)C2=O)cs1 ZINC001164821186 720372936 /nfs/dbraw/zinc/37/29/36/720372936.db2.gz ZXIMFSJOJRLBIA-UHFFFAOYSA-N 1 2 478.047 3.126 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5sc(C)nc54)CC3)C2=O)cs1 ZINC001164821186 720372940 /nfs/dbraw/zinc/37/29/40/720372940.db2.gz ZXIMFSJOJRLBIA-UHFFFAOYSA-N 1 2 478.047 3.126 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5c(Cl)cccc5n4)CC3)C2=O)cs1 ZINC001164821079 720373163 /nfs/dbraw/zinc/37/31/63/720373163.db2.gz WMVUEQYKHPTDNW-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5c(Cl)cccc5n4)CC3)C2=O)cs1 ZINC001164821079 720373172 /nfs/dbraw/zinc/37/31/72/720373172.db2.gz WMVUEQYKHPTDNW-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO COC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164821183 720374133 /nfs/dbraw/zinc/37/41/33/720374133.db2.gz ZWBZPIUTSURDBN-UHFFFAOYSA-N 1 2 479.606 3.100 20 0 JGADLO COC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164821183 720374141 /nfs/dbraw/zinc/37/41/41/720374141.db2.gz ZWBZPIUTSURDBN-UHFFFAOYSA-N 1 2 479.606 3.100 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(Oc5cccc(F)c5)n4)CC3)C2=O)cs1 ZINC001164819301 720376138 /nfs/dbraw/zinc/37/61/38/720376138.db2.gz BINPETUJOBOTNY-UHFFFAOYSA-N 1 2 482.585 3.486 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(Oc5cccc(F)c5)n4)CC3)C2=O)cs1 ZINC001164819301 720376148 /nfs/dbraw/zinc/37/61/48/720376148.db2.gz BINPETUJOBOTNY-UHFFFAOYSA-N 1 2 482.585 3.486 20 0 JGADLO Cc1ccc(-c2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nn2)o1 ZINC001164822954 720380404 /nfs/dbraw/zinc/38/04/04/720380404.db2.gz NVFKDCPOEZCOMC-UHFFFAOYSA-N 1 2 452.584 3.123 20 0 JGADLO Cc1ccc(-c2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nn2)o1 ZINC001164822954 720380411 /nfs/dbraw/zinc/38/04/11/720380411.db2.gz NVFKDCPOEZCOMC-UHFFFAOYSA-N 1 2 452.584 3.123 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(-c5ccccn5)nc(C)c4C)CC3)C2=O)cs1 ZINC001164824437 720382335 /nfs/dbraw/zinc/38/23/35/720382335.db2.gz RWJDGJNEBCJTNB-UHFFFAOYSA-N 1 2 477.638 3.234 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(-c5ccccn5)nc(C)c4C)CC3)C2=O)cs1 ZINC001164824437 720382341 /nfs/dbraw/zinc/38/23/41/720382341.db2.gz RWJDGJNEBCJTNB-UHFFFAOYSA-N 1 2 477.638 3.234 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-c5nc(C6CC6)no5)ccn4)CC3)C2=O)cs1 ZINC001164820460 720382911 /nfs/dbraw/zinc/38/29/11/720382911.db2.gz BYUXFROVDRSVOZ-UHFFFAOYSA-N 1 2 479.610 3.087 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-c5nc(C6CC6)no5)ccn4)CC3)C2=O)cs1 ZINC001164820460 720382921 /nfs/dbraw/zinc/38/29/21/720382921.db2.gz BYUXFROVDRSVOZ-UHFFFAOYSA-N 1 2 479.610 3.087 20 0 JGADLO COc1cccc2c(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)cc(Cl)nc12 ZINC001164827603 720428803 /nfs/dbraw/zinc/42/88/03/720428803.db2.gz UBRWUHWBGJCDEJ-QGZVFWFLSA-N 1 2 471.989 3.083 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc(Cl)ncc1Cl)C2 ZINC001164824375 720433055 /nfs/dbraw/zinc/43/30/55/720433055.db2.gz LCIQKPWUAGXPBX-AWEZNQCLSA-N 1 2 476.355 3.119 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3ccc(F)cc31)C2 ZINC001164826461 720440455 /nfs/dbraw/zinc/44/04/55/720440455.db2.gz XFJZWJIMGQOCOT-INIZCTEOSA-N 1 2 459.953 3.213 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1c(Cl)cc(Cl)nc1Cl)C2 ZINC001164822446 720441165 /nfs/dbraw/zinc/44/11/65/720441165.db2.gz FEZRCYAJNGFMKU-ZDUSSCGKSA-N 1 2 460.793 3.228 20 0 JGADLO COc1ccc2c(cc(Cl)nc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164832272 720461865 /nfs/dbraw/zinc/46/18/65/720461865.db2.gz SKWLGFNYSFPESY-SFHVURJKSA-N 1 2 471.989 3.083 20 0 JGADLO Cc1c(Cl)ccc2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc21 ZINC001164830653 720466232 /nfs/dbraw/zinc/46/62/32/720466232.db2.gz KPGRXOYOTXXBQU-IBGZPJMESA-N 1 2 455.990 3.383 20 0 JGADLO CCCCOc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC001164831157 720467238 /nfs/dbraw/zinc/46/72/38/720467238.db2.gz NADSRVQAEKNIAL-SFHVURJKSA-N 1 2 464.010 3.100 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccc(Cl)nn3)ccc1F)C2 ZINC001164829810 720474671 /nfs/dbraw/zinc/47/46/71/720474671.db2.gz HCOKJOCFSMFTNE-GOSISDBHSA-N 1 2 486.979 3.122 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3c(Cl)cccc3nc1Cl)C2 ZINC001164831904 720479213 /nfs/dbraw/zinc/47/92/13/720479213.db2.gz HZQBCQAHRCFPNA-OAHLLOKOSA-N 1 2 477.396 3.123 20 0 JGADLO Cc1cccc(Oc2nc(Cl)ncc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164832160 720480420 /nfs/dbraw/zinc/48/04/20/720480420.db2.gz IREVBWQOGFYGTC-LJQANCHMSA-N 1 2 499.015 3.417 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(C3CCCCC3)n1)C2 ZINC001164833524 720480760 /nfs/dbraw/zinc/48/07/60/720480760.db2.gz PNXISEMFGJBKTK-LJQANCHMSA-N 1 2 475.037 3.364 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)Sc1ccc(Cl)nc1)C2 ZINC001164832833 720482937 /nfs/dbraw/zinc/48/29/37/720482937.db2.gz LKVNIZIHQZNXGR-HNNXBMFYSA-N 1 2 473.977 3.059 20 0 JGADLO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)n1 ZINC001164768328 721050812 /nfs/dbraw/zinc/05/08/12/721050812.db2.gz IHFGGTVAZFIPBF-RPBOFIJWSA-N 1 2 454.578 3.118 20 0 JGADLO Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)n1 ZINC001164768328 721050818 /nfs/dbraw/zinc/05/08/18/721050818.db2.gz IHFGGTVAZFIPBF-RPBOFIJWSA-N 1 2 454.578 3.118 20 0 JGADLO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164875954 721219503 /nfs/dbraw/zinc/21/95/03/721219503.db2.gz YKBIEDJPHPQKHX-HXUWFJFHSA-N 1 2 457.884 3.206 20 0 JGADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164769017 721273636 /nfs/dbraw/zinc/27/36/36/721273636.db2.gz NESWGDURUBQMEH-AWEZNQCLSA-N 1 2 463.872 3.373 20 0 JGADLO O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@@H]2C1 ZINC001164874885 721295860 /nfs/dbraw/zinc/29/58/60/721295860.db2.gz DPTRHGNRJNEJSK-PXDATVDWSA-N 1 2 489.645 3.464 20 0 JGADLO O=C(c1ccsc1)N1CCO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@@H]2C1 ZINC001164874885 721295862 /nfs/dbraw/zinc/29/58/62/721295862.db2.gz DPTRHGNRJNEJSK-PXDATVDWSA-N 1 2 489.645 3.464 20 0 JGADLO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001164883336 721348057 /nfs/dbraw/zinc/34/80/57/721348057.db2.gz LBTGALGLZNXXNV-ZEQKJWHPSA-N 1 2 469.589 3.012 20 0 JGADLO O=C(c1ccccc1)N1CCO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001164883336 721348061 /nfs/dbraw/zinc/34/80/61/721348061.db2.gz LBTGALGLZNXXNV-ZEQKJWHPSA-N 1 2 469.589 3.012 20 0 JGADLO CC(C)C(=O)N1CC[C@@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001164894798 721464551 /nfs/dbraw/zinc/46/45/51/721464551.db2.gz YSLUTYDCEILWGS-ILBGXUMGSA-N 1 2 475.637 3.123 20 0 JGADLO O=C1NC2(C[C@H]1c1ccncc1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164898469 721503142 /nfs/dbraw/zinc/50/31/42/721503142.db2.gz SDMIDPRTHPZNFC-QFIPXVFZSA-N 1 2 454.578 3.073 20 0 JGADLO O=C1NC2(C[C@H]1c1ccncc1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164898469 721503146 /nfs/dbraw/zinc/50/31/46/721503146.db2.gz SDMIDPRTHPZNFC-QFIPXVFZSA-N 1 2 454.578 3.073 20 0 JGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001165009894 721721277 /nfs/dbraw/zinc/72/12/77/721721277.db2.gz BLOPQEWCQVSNSZ-UHFFFAOYSA-N 1 2 457.913 3.214 20 0 JGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)C2 ZINC001165009894 721721286 /nfs/dbraw/zinc/72/12/86/721721286.db2.gz BLOPQEWCQVSNSZ-UHFFFAOYSA-N 1 2 457.913 3.214 20 0 JGADLO FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912856 721772226 /nfs/dbraw/zinc/77/22/26/721772226.db2.gz QYWDFTDROREZAP-IBGZPJMESA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1ccnc(Cl)c1Cl)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912856 721772230 /nfs/dbraw/zinc/77/22/30/721772230.db2.gz QYWDFTDROREZAP-IBGZPJMESA-N 1 2 459.324 3.436 20 0 JGADLO c1cnn(CCCO[C@H]2CC[C@H]3[C@@H]2OCCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC001165018083 721779484 /nfs/dbraw/zinc/77/94/84/721779484.db2.gz IJQIAMIOVSAURM-GSDHBNRESA-N 1 2 474.609 3.075 20 0 JGADLO c1cnn(CCCO[C@H]2CC[C@H]3[C@@H]2OCCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC001165018083 721779485 /nfs/dbraw/zinc/77/94/85/721779485.db2.gz IJQIAMIOVSAURM-GSDHBNRESA-N 1 2 474.609 3.075 20 0 JGADLO Cc1cc2nc(Cl)c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2cc1C ZINC001164917736 721788305 /nfs/dbraw/zinc/78/83/05/721788305.db2.gz YZAOFKJMYSNQBO-XMMPIXPASA-N 1 2 453.974 3.403 20 0 JGADLO Cc1cc2nc(Cl)c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2cc1C ZINC001164917736 721788310 /nfs/dbraw/zinc/78/83/10/721788310.db2.gz YZAOFKJMYSNQBO-XMMPIXPASA-N 1 2 453.974 3.403 20 0 JGADLO Cc1cccc(Sc2cncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164916414 721791023 /nfs/dbraw/zinc/79/10/23/721791023.db2.gz QSADGZIHPFNOST-RUZDIDTESA-N 1 2 463.607 3.439 20 0 JGADLO Cc1cccc(Sc2cncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164916414 721791025 /nfs/dbraw/zinc/79/10/25/721791025.db2.gz QSADGZIHPFNOST-RUZDIDTESA-N 1 2 463.607 3.439 20 0 JGADLO O=C(c1ccccc1)n1ccc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc21 ZINC001164917548 721792227 /nfs/dbraw/zinc/79/22/27/721792227.db2.gz XZUYKFWTGYGYCX-MUUNZHRXSA-N 1 2 483.572 3.228 20 0 JGADLO O=C(c1ccccc1)n1ccc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc21 ZINC001164917548 721792233 /nfs/dbraw/zinc/79/22/33/721792233.db2.gz XZUYKFWTGYGYCX-MUUNZHRXSA-N 1 2 483.572 3.228 20 0 JGADLO Fc1ccc(-c2nc(Cl)cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164913447 721796622 /nfs/dbraw/zinc/79/66/22/721796622.db2.gz DFBIUXPBRLCFLS-XMMPIXPASA-N 1 2 469.948 3.439 20 0 JGADLO Fc1ccc(-c2nc(Cl)cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164913447 721796624 /nfs/dbraw/zinc/79/66/24/721796624.db2.gz DFBIUXPBRLCFLS-XMMPIXPASA-N 1 2 469.948 3.439 20 0 JGADLO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915671 721797101 /nfs/dbraw/zinc/79/71/01/721797101.db2.gz XKQAKAPKNSPVFI-XMMPIXPASA-N 1 2 469.948 3.439 20 0 JGADLO Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915671 721797108 /nfs/dbraw/zinc/79/71/08/721797108.db2.gz XKQAKAPKNSPVFI-XMMPIXPASA-N 1 2 469.948 3.439 20 0 JGADLO Fc1ccc(COc2cccnc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1 ZINC001164914650 721797134 /nfs/dbraw/zinc/79/71/34/721797134.db2.gz OVOAGPFVABZSOS-AREMUKBSSA-N 1 2 464.541 3.303 20 0 JGADLO Fc1ccc(COc2cccnc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001164914650 721797138 /nfs/dbraw/zinc/79/71/38/721797138.db2.gz OVOAGPFVABZSOS-AREMUKBSSA-N 1 2 464.541 3.303 20 0 JGADLO COc1cccc(Oc2nc(Cl)ncc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914197 721800959 /nfs/dbraw/zinc/80/09/59/721800959.db2.gz KSBVJSZXWWGEOS-RUZDIDTESA-N 1 2 497.983 3.434 20 0 JGADLO COc1cccc(Oc2nc(Cl)ncc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914197 721800961 /nfs/dbraw/zinc/80/09/61/721800961.db2.gz KSBVJSZXWWGEOS-RUZDIDTESA-N 1 2 497.983 3.434 20 0 JGADLO O=C(c1cccnc1N1CCc2ncnc(C3CC3)c2CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164914386 721804117 /nfs/dbraw/zinc/80/41/17/721804117.db2.gz CBTPCUBFDLYIME-UHFFFAOYSA-N 1 2 468.605 3.312 20 0 JGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)CC1 ZINC001164918841 721813414 /nfs/dbraw/zinc/81/34/14/721813414.db2.gz UFPYCRXTFTXXPU-UHFFFAOYSA-N 1 2 451.953 3.221 20 0 JGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)CC1 ZINC001164918841 721813415 /nfs/dbraw/zinc/81/34/15/721813415.db2.gz UFPYCRXTFTXXPU-UHFFFAOYSA-N 1 2 451.953 3.221 20 0 JGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)CC1 ZINC001164918407 721815220 /nfs/dbraw/zinc/81/52/20/721815220.db2.gz WNCCLOYXJBZAQA-MRXNPFEDSA-N 1 2 456.982 3.125 20 0 JGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164946969 721975849 /nfs/dbraw/zinc/97/58/49/721975849.db2.gz MPVLQEZIXBPLCD-UHFFFAOYSA-N 1 2 482.947 3.427 20 0 JGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164946969 721975851 /nfs/dbraw/zinc/97/58/51/721975851.db2.gz MPVLQEZIXBPLCD-UHFFFAOYSA-N 1 2 482.947 3.427 20 0 JGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164945099 721976424 /nfs/dbraw/zinc/97/64/24/721976424.db2.gz CFMJWIAGAGWSMA-UHFFFAOYSA-N 1 2 482.947 3.427 20 0 JGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164945099 721976426 /nfs/dbraw/zinc/97/64/26/721976426.db2.gz CFMJWIAGAGWSMA-UHFFFAOYSA-N 1 2 482.947 3.427 20 0 JGADLO COc1ccc(OC)c(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)c1 ZINC001164948850 721979836 /nfs/dbraw/zinc/97/98/36/721979836.db2.gz MHIIGLBZWIYDPQ-UHFFFAOYSA-N 1 2 473.577 3.132 20 0 JGADLO COc1ccc(OC)c(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)c1 ZINC001164948850 721979837 /nfs/dbraw/zinc/97/98/37/721979837.db2.gz MHIIGLBZWIYDPQ-UHFFFAOYSA-N 1 2 473.577 3.132 20 0 JGADLO FC(F)(F)c1nnc(N2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC2)s1 ZINC001165051517 721999587 /nfs/dbraw/zinc/99/95/87/721999587.db2.gz HBPSRIQNGUNFKR-UHFFFAOYSA-N 1 2 461.517 3.232 20 0 JGADLO FC(F)(F)c1nnc(N2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)s1 ZINC001165051517 721999592 /nfs/dbraw/zinc/99/95/92/721999592.db2.gz HBPSRIQNGUNFKR-UHFFFAOYSA-N 1 2 461.517 3.232 20 0 JGADLO O=C(NC1CCC1)C1C[C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001164976648 722085309 /nfs/dbraw/zinc/08/53/09/722085309.db2.gz VZOKPALUHANRGK-ZEQRLZLVSA-N 1 2 487.648 3.171 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973125 722148439 /nfs/dbraw/zinc/14/84/39/722148439.db2.gz AZAVDWAENJVERA-REWPJTCUSA-N 1 2 497.596 3.144 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973125 722148444 /nfs/dbraw/zinc/14/84/44/722148444.db2.gz AZAVDWAENJVERA-REWPJTCUSA-N 1 2 497.596 3.144 20 0 JGADLO CCN(CC)c1ccnc([C@@H]2COCCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)n1 ZINC001165000122 722226058 /nfs/dbraw/zinc/22/60/58/722226058.db2.gz QLCXQAGJKRMKCK-QHCPKHFHSA-N 1 2 459.598 3.249 20 0 JGADLO CCN(CC)c1ccnc([C@@H]2COCCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)n1 ZINC001165000122 722226059 /nfs/dbraw/zinc/22/60/59/722226059.db2.gz QLCXQAGJKRMKCK-QHCPKHFHSA-N 1 2 459.598 3.249 20 0 JGADLO CC[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)OC ZINC001305819655 1069355214 /nfs/dbraw/zinc/35/52/14/1069355214.db2.gz CIMRSRUXYUVYFZ-SFHVURJKSA-N 1 2 466.586 3.411 20 0 JGADLO CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001305849799 1069401637 /nfs/dbraw/zinc/40/16/37/1069401637.db2.gz UVLQMAFZYWDEFO-GOTSBHOMSA-N 1 2 498.672 3.032 20 0 JGADLO CC[C@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001305873792 1069427626 /nfs/dbraw/zinc/42/76/26/1069427626.db2.gz JEDCNUYACURKGJ-JXHRLWIKSA-N 1 2 463.623 3.249 20 0 JGADLO CCC1(CC)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC001305892340 1069449288 /nfs/dbraw/zinc/44/92/88/1069449288.db2.gz AOIQCSAHPQXMJD-LJQANCHMSA-N 1 2 485.658 3.198 20 0 JGADLO CCc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](CC)CCC(F)(F)F)cc1 ZINC001305917193 1069471989 /nfs/dbraw/zinc/47/19/89/1069471989.db2.gz JBCNDAUHGTVQGC-IBGZPJMESA-N 1 2 487.592 3.405 20 0 JGADLO CCc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[N@H+](CC)CCC(F)(F)F)cc1 ZINC001305917193 1069471992 /nfs/dbraw/zinc/47/19/92/1069471992.db2.gz JBCNDAUHGTVQGC-IBGZPJMESA-N 1 2 487.592 3.405 20 0 JGADLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(CC2CC2)n1CCC(=O)NC(C)(C)C ZINC001298241123 1064146503 /nfs/dbraw/zinc/14/65/03/1064146503.db2.gz SWBWGGWTPZNWNO-IBGZPJMESA-N 1 2 474.675 3.107 20 0 JGADLO CN(Cc1ccccn1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001298368185 1064222421 /nfs/dbraw/zinc/22/24/21/1064222421.db2.gz UYDNGHXXJUMKLX-UHFFFAOYSA-N 1 2 498.031 3.004 20 0 JGADLO CN(Cc1ccccn1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001298368185 1064222429 /nfs/dbraw/zinc/22/24/29/1064222429.db2.gz UYDNGHXXJUMKLX-UHFFFAOYSA-N 1 2 498.031 3.004 20 0 JGADLO CN(Cc1ccoc1)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298420874 1064244523 /nfs/dbraw/zinc/24/45/23/1064244523.db2.gz FMXNQMNOOFNBBI-UHFFFAOYSA-N 1 2 456.566 3.252 20 0 JGADLO CN(Cc1ccoc1)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298420874 1064244525 /nfs/dbraw/zinc/24/45/25/1064244525.db2.gz FMXNQMNOOFNBBI-UHFFFAOYSA-N 1 2 456.566 3.252 20 0 JGADLO CN(Cc1ccsc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001298430222 1064248946 /nfs/dbraw/zinc/24/89/46/1064248946.db2.gz NFNJKZZDFNKTFO-IRXDYDNUSA-N 1 2 465.670 3.243 20 0 JGADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001298562973 1064330480 /nfs/dbraw/zinc/33/04/80/1064330480.db2.gz AXNXIILTERXEBT-JOCHJYFZSA-N 1 2 458.002 3.463 20 0 JGADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001298562973 1064330493 /nfs/dbraw/zinc/33/04/93/1064330493.db2.gz AXNXIILTERXEBT-JOCHJYFZSA-N 1 2 458.002 3.463 20 0 JGADLO CN(CCC(F)F)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001298601802 1064376676 /nfs/dbraw/zinc/37/66/76/1064376676.db2.gz PCTXJMOEHLRCGF-UHFFFAOYSA-N 1 2 490.580 3.484 20 0 JGADLO CN(CCc1cnccn1)c1nnc(-c2cc(Br)cn2C)n1CCCNc1cccc[nH+]1 ZINC001298626641 1064398689 /nfs/dbraw/zinc/39/86/89/1064398689.db2.gz NULZVDCRHKAGBF-UHFFFAOYSA-N 1 2 496.417 3.412 20 0 JGADLO CN(CCCn1c(CC2CC2)nnc1N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001298675436 1064463746 /nfs/dbraw/zinc/46/37/46/1064463746.db2.gz HOIDEWCVPRXSHJ-UHFFFAOYSA-N 1 2 455.607 3.209 20 0 JGADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cc(I)nn3C)CC2)cc1 ZINC001298696606 1064496428 /nfs/dbraw/zinc/49/64/28/1064496428.db2.gz ZZGFOVRSHWHZLN-UHFFFAOYSA-N 1 2 452.340 3.106 20 0 JGADLO C[N@H+](CCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1C(C)(C)C)Cc1ccc(F)cc1 ZINC001298720443 1064531813 /nfs/dbraw/zinc/53/18/13/1064531813.db2.gz YAUHRPCOBQOYAH-FQEVSTJZSA-N 1 2 465.639 3.250 20 0 JGADLO C[N@@H+](CCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1C(C)(C)C)Cc1ccc(F)cc1 ZINC001298720443 1064531822 /nfs/dbraw/zinc/53/18/22/1064531822.db2.gz YAUHRPCOBQOYAH-FQEVSTJZSA-N 1 2 465.639 3.250 20 0 JGADLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CC1([S@](C)=O)CC1 ZINC001298727668 1064537046 /nfs/dbraw/zinc/53/70/46/1064537046.db2.gz ILBRDRXWWAMTAJ-YTTGMZPUSA-N 1 2 484.041 3.196 20 0 JGADLO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CC1([S@](C)=O)CC1 ZINC001298727668 1064537058 /nfs/dbraw/zinc/53/70/58/1064537058.db2.gz ILBRDRXWWAMTAJ-YTTGMZPUSA-N 1 2 484.041 3.196 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1CC(F)(F)Br ZINC001298732813 1064547152 /nfs/dbraw/zinc/54/71/52/1064547152.db2.gz FPEKASAJVZGTHF-UHFFFAOYSA-N 1 2 464.742 3.355 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(OC(F)F)c2)n1CC[C@H]1C[C@H](F)C1 ZINC001298733812 1064549093 /nfs/dbraw/zinc/54/90/93/1064549093.db2.gz UUNNCPVGZFYIBC-SAABIXHNSA-N 1 2 453.509 3.453 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1Cc1cscc1C(F)(F)F ZINC001298737553 1064552440 /nfs/dbraw/zinc/55/24/40/1064552440.db2.gz CMILJIBOYIEXBS-KRWDZBQOSA-N 1 2 459.538 3.417 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC1(C)C ZINC001298738093 1064553033 /nfs/dbraw/zinc/55/30/33/1064553033.db2.gz GHLNRWSZOOHSBO-PMACEKPBSA-N 1 2 476.666 3.207 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCO2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001298740372 1064555033 /nfs/dbraw/zinc/55/50/33/1064555033.db2.gz GKHKJTHGMPNUIL-HXUWFJFHSA-N 1 2 483.535 3.025 20 0 JGADLO Cn1cc(-c2nnc(N3CCC(CNC(=O)OC(C)(C)C)CC3)n2CCCNc2cccc[nH+]2)cn1 ZINC001298810602 1064612418 /nfs/dbraw/zinc/61/24/18/1064612418.db2.gz YKVJOXZGKDYAGS-UHFFFAOYSA-N 1 2 495.632 3.317 20 0 JGADLO C[C@H]1[C@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001298887087 1064696532 /nfs/dbraw/zinc/69/65/32/1064696532.db2.gz KWEREXGAELRQPD-KBXCAEBGSA-N 1 2 451.386 3.245 20 0 JGADLO C[C@H]1[C@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001298887087 1064696536 /nfs/dbraw/zinc/69/65/36/1064696536.db2.gz KWEREXGAELRQPD-KBXCAEBGSA-N 1 2 451.386 3.245 20 0 JGADLO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c2c(n1)onc2C(C)C ZINC001298907067 1064711003 /nfs/dbraw/zinc/71/10/03/1064711003.db2.gz FRSJTZKBCFUOHH-KRWDZBQOSA-N 1 2 457.575 3.422 20 0 JGADLO CNC(=O)C(C)(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001298944777 1064737947 /nfs/dbraw/zinc/73/79/47/1064737947.db2.gz TVTYYODBSFPAOE-UHFFFAOYSA-N 1 2 491.640 3.270 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001298966530 1064755854 /nfs/dbraw/zinc/75/58/54/1064755854.db2.gz MOEUAJMLHHACJV-KDOFPFPSSA-N 1 2 491.974 3.393 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001299002810 1064782304 /nfs/dbraw/zinc/78/23/04/1064782304.db2.gz ODLFTNFMQZGYLE-PZJWPPBQSA-N 1 2 479.629 3.375 20 0 JGADLO CNC(=O)[C@@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001299041740 1064833667 /nfs/dbraw/zinc/83/36/67/1064833667.db2.gz WMXPDABVVPRNMA-VWLOTQADSA-N 1 2 495.653 3.051 20 0 JGADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001299063998 1064860606 /nfs/dbraw/zinc/86/06/06/1064860606.db2.gz CNLOOTPEGPDTNQ-FGZHOGPDSA-N 1 2 498.672 3.108 20 0 JGADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001299063998 1064860613 /nfs/dbraw/zinc/86/06/13/1064860613.db2.gz CNLOOTPEGPDTNQ-FGZHOGPDSA-N 1 2 498.672 3.108 20 0 JGADLO CO[C@]1(C)CCCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001299767467 1064963969 /nfs/dbraw/zinc/96/39/69/1064963969.db2.gz DKJLNXSJGDCIRU-RUZDIDTESA-N 1 2 450.587 3.414 20 0 JGADLO CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001299774037 1064974222 /nfs/dbraw/zinc/97/42/22/1064974222.db2.gz UQHKEBMDJCPNDI-BWKNWUBXSA-N 1 2 457.619 3.282 20 0 JGADLO COC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccc(F)c3)CC2)CCC(C)CC1 ZINC001299794454 1064990739 /nfs/dbraw/zinc/99/07/39/1064990739.db2.gz IRIGELNJWROYPW-UHFFFAOYSA-N 1 2 486.636 3.473 20 0 JGADLO O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CC[NH+](CCCF)CC1 ZINC001299829435 1065022622 /nfs/dbraw/zinc/02/26/22/1065022622.db2.gz CEVLYDLPEPFQDP-UHFFFAOYSA-N 1 2 457.930 3.397 20 0 JGADLO COc1cc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[NH+]2CCOCC2)ccc1Cl ZINC001299880174 1065100849 /nfs/dbraw/zinc/10/08/49/1065100849.db2.gz UFXRODVNAZZCKN-UHFFFAOYSA-N 1 2 477.396 3.472 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001299894956 1065125890 /nfs/dbraw/zinc/12/58/90/1065125890.db2.gz LDTJYMGFSJWGNH-FUHWJXTLSA-N 1 2 494.017 3.126 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H](C)c2nc(C)cs2)c1 ZINC001299932065 1065196979 /nfs/dbraw/zinc/19/69/79/1065196979.db2.gz KCYIAUSLGOFCJL-QGZVFWFLSA-N 1 2 486.642 3.299 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CC[S@](=O)C(C)(C)C)c1 ZINC001299949500 1065223668 /nfs/dbraw/zinc/22/36/68/1065223668.db2.gz DZWGUKABIUQDNH-DHUJRADRSA-N 1 2 498.653 3.231 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001492240931 1065340112 /nfs/dbraw/zinc/34/01/12/1065340112.db2.gz SHLVJTXKINUPMK-QFIPXVFZSA-N 1 2 484.645 3.263 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCCO3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001492240931 1065340125 /nfs/dbraw/zinc/34/01/25/1065340125.db2.gz SHLVJTXKINUPMK-QFIPXVFZSA-N 1 2 484.645 3.263 20 0 JGADLO Cc1ccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC001492297718 1065412178 /nfs/dbraw/zinc/41/21/78/1065412178.db2.gz YAXLNUQSCHZARI-ILBGXUMGSA-N 1 2 484.689 3.409 20 0 JGADLO Cc1ccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC001492297720 1065412258 /nfs/dbraw/zinc/41/22/58/1065412258.db2.gz YAXLNUQSCHZARI-NOZRDPDXSA-N 1 2 484.689 3.409 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001492371364 1065435116 /nfs/dbraw/zinc/43/51/16/1065435116.db2.gz PQQCNTZCLGIKIK-YADHBBJMSA-N 1 2 498.672 3.017 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001492371364 1065435121 /nfs/dbraw/zinc/43/51/21/1065435121.db2.gz PQQCNTZCLGIKIK-YADHBBJMSA-N 1 2 498.672 3.017 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1C ZINC001492385950 1065454739 /nfs/dbraw/zinc/45/47/39/1065454739.db2.gz WERBFCXAUWUDHO-QFIPXVFZSA-N 1 2 489.686 3.077 20 0 JGADLO CO[C@H]1CN(c2nnc(C(C)(C)C)n2CC[NH+]2CCN(Cc3ccccc3)CC2)CC1(C)C ZINC001300797044 1065529216 /nfs/dbraw/zinc/52/92/16/1065529216.db2.gz JPFHZKHTFWZIIQ-QFIPXVFZSA-N 1 2 454.663 3.255 20 0 JGADLO CO[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)CC[C@@H]1C ZINC001300849939 1065593103 /nfs/dbraw/zinc/59/31/03/1065593103.db2.gz PDCDAFGAGPTTQL-MJUUVYJYSA-N 1 2 499.660 3.419 20 0 JGADLO COCC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001300872754 1065646997 /nfs/dbraw/zinc/64/69/97/1065646997.db2.gz LBMIZRJEUXKACH-FQEVSTJZSA-N 1 2 496.587 3.188 20 0 JGADLO COCC(=O)NC1CCN(c2nnc(C3CCCC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001300907183 1065706353 /nfs/dbraw/zinc/70/63/53/1065706353.db2.gz FODZNQFDHKFHGL-OAQYLSRUSA-N 1 2 490.599 3.248 20 0 JGADLO COc1ncc(Br)cc1CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC001300940260 1065742985 /nfs/dbraw/zinc/74/29/85/1065742985.db2.gz RUAKTONZRUFEDU-UHFFFAOYSA-N 1 2 458.316 3.008 20 0 JGADLO COC[C@@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001300958975 1065766376 /nfs/dbraw/zinc/76/63/76/1065766376.db2.gz XMUAOQZFSAFSLH-KRWDZBQOSA-N 1 2 496.612 3.277 20 0 JGADLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cc1 ZINC001301032297 1065872989 /nfs/dbraw/zinc/87/29/89/1065872989.db2.gz YMXSCPHKWHPHEC-INIZCTEOSA-N 1 2 456.340 3.304 20 0 JGADLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cc1 ZINC001301032297 1065872999 /nfs/dbraw/zinc/87/29/99/1065872999.db2.gz YMXSCPHKWHPHEC-INIZCTEOSA-N 1 2 456.340 3.304 20 0 JGADLO COCC1(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[NH+]2CCOCC2)CCC1 ZINC001301115675 1065959664 /nfs/dbraw/zinc/95/96/64/1065959664.db2.gz FGCLLWMRTROTCQ-NHCUHLMSSA-N 1 2 463.667 3.172 20 0 JGADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1NCc1ccccc1Cl ZINC001301167478 1066003189 /nfs/dbraw/zinc/00/31/89/1066003189.db2.gz XHMQCRJLLSXLOH-UHFFFAOYSA-N 1 2 450.974 3.294 20 0 JGADLO COCC1=CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001301184402 1066013696 /nfs/dbraw/zinc/01/36/96/1066013696.db2.gz KPWLBGUDDJHUGT-UHFFFAOYSA-N 1 2 481.553 3.206 20 0 JGADLO COCC1=CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001301204340 1066028546 /nfs/dbraw/zinc/02/85/46/1066028546.db2.gz RRMHOTNFSXYVAT-OYRHEFFESA-N 1 2 497.644 3.341 20 0 JGADLO COC[C@H]1CCCCN(c2nnc(Cn3nc(C)cc3C)n2CCCNc2cccc[nH+]2)C1 ZINC001301248892 1066065804 /nfs/dbraw/zinc/06/58/04/1066065804.db2.gz JVIFBMYFIISMOZ-NRFANRHFSA-N 1 2 452.607 3.290 20 0 JGADLO COC[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301283554 1066091458 /nfs/dbraw/zinc/09/14/58/1066091458.db2.gz PKOLQJQLWSNIHK-QHCPKHFHSA-N 1 2 484.689 3.363 20 0 JGADLO COC[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001301283554 1066091473 /nfs/dbraw/zinc/09/14/73/1066091473.db2.gz PKOLQJQLWSNIHK-QHCPKHFHSA-N 1 2 484.689 3.363 20 0 JGADLO COCC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001301287266 1066094865 /nfs/dbraw/zinc/09/48/65/1066094865.db2.gz RPFXECCOKKITES-UHFFFAOYSA-N 1 2 464.570 3.462 20 0 JGADLO COC[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301296952 1066102165 /nfs/dbraw/zinc/10/21/65/1066102165.db2.gz MDKMEHZIIVGLSX-IPMKNSEASA-N 1 2 464.010 3.265 20 0 JGADLO COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@H](C)O1 ZINC001301389963 1066175392 /nfs/dbraw/zinc/17/53/92/1066175392.db2.gz YDWGVNOPDCUURL-PZBISTMVSA-N 1 2 479.572 3.341 20 0 JGADLO COC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCNc2cccc[nH+]2)C[C@@H](C)O1 ZINC001301395999 1066176981 /nfs/dbraw/zinc/17/69/81/1066176981.db2.gz GKOOZUBZONIDGM-QUCCMNQESA-N 1 2 454.550 3.145 20 0 JGADLO COC[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CCCc2cccc(C)[nH+]2)C[C@H](C)O1 ZINC001301396921 1066177909 /nfs/dbraw/zinc/17/79/09/1066177909.db2.gz OPTNQPUFBKTWNU-REWPJTCUSA-N 1 2 465.598 3.454 20 0 JGADLO COCCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001301427865 1066225026 /nfs/dbraw/zinc/22/50/26/1066225026.db2.gz STLVIXBFJGCKDO-IBGZPJMESA-N 1 2 462.664 3.322 20 0 JGADLO COCCO[C@H](C)c1nnc(N(C)CC(F)(F)F)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001301964175 1066267063 /nfs/dbraw/zinc/26/70/63/1066267063.db2.gz CGSKBJFCMBBGOK-MRXNPFEDSA-N 1 2 456.513 3.434 20 0 JGADLO COCCO[C@@H](C)c1nnc(N(C)[C@@H]2CCSC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001301965872 1066270048 /nfs/dbraw/zinc/27/00/48/1066270048.db2.gz PRYJWEMULIMOBU-AZUAARDMSA-N 1 2 460.648 3.377 20 0 JGADLO COCCO[C@@H](C)c1nnc(N(C)[C@@H]2CCOC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001301967007 1066271736 /nfs/dbraw/zinc/27/17/36/1066271736.db2.gz YCOAWRHPOZMAEO-PZJWPPBQSA-N 1 2 458.607 3.051 20 0 JGADLO COCCO[C@H](C)c1nnc(N(C)[C@H]2CCOC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001301967005 1066272050 /nfs/dbraw/zinc/27/20/50/1066272050.db2.gz YCOAWRHPOZMAEO-CTNGQTDRSA-N 1 2 458.607 3.051 20 0 JGADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001301988335 1066303812 /nfs/dbraw/zinc/30/38/12/1066303812.db2.gz CPJBGTGDHICCNE-OALUTQOASA-N 1 2 459.660 3.252 20 0 JGADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001301988335 1066303828 /nfs/dbraw/zinc/30/38/28/1066303828.db2.gz CPJBGTGDHICCNE-OALUTQOASA-N 1 2 459.660 3.252 20 0 JGADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001301988340 1066304241 /nfs/dbraw/zinc/30/42/41/1066304241.db2.gz CPJBGTGDHICCNE-RTBURBONSA-N 1 2 459.660 3.252 20 0 JGADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCCC2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001301988340 1066304254 /nfs/dbraw/zinc/30/42/54/1066304254.db2.gz CPJBGTGDHICCNE-RTBURBONSA-N 1 2 459.660 3.252 20 0 JGADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001301991805 1066312706 /nfs/dbraw/zinc/31/27/06/1066312706.db2.gz YCVIVXXEZBKJHW-RTBURBONSA-N 1 2 483.642 3.032 20 0 JGADLO C[C@H]([C@H](C)N(C)c1nnc(-c2ccccn2)n1Cc1cc[nH+]c(N2CCCCC2)c1)S(C)(=O)=O ZINC001301991804 1066312747 /nfs/dbraw/zinc/31/27/47/1066312747.db2.gz YCVIVXXEZBKJHW-RBUKOAKNSA-N 1 2 483.642 3.032 20 0 JGADLO COCC[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301505559 1066333040 /nfs/dbraw/zinc/33/30/40/1066333040.db2.gz PMJDOGJAOUHBRF-JKSUJKDBSA-N 1 2 484.464 3.353 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302001921 1066337100 /nfs/dbraw/zinc/33/71/00/1066337100.db2.gz UFXAOHNPKWBZBE-NLFFAJNJSA-N 1 2 493.718 3.393 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC=C(C(C)(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001302001917 1066337192 /nfs/dbraw/zinc/33/71/92/1066337192.db2.gz UFXAOHNPKWBZBE-CPJSRVTESA-N 1 2 493.718 3.393 20 0 JGADLO COCCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001301524302 1066351170 /nfs/dbraw/zinc/35/11/70/1066351170.db2.gz BJTHIUMBMKZNLT-UHFFFAOYSA-N 1 2 475.037 3.160 20 0 JGADLO COc1cccc([C@@H](O)C2CCN(C(=O)C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)CC2)c1 ZINC001302013502 1066358752 /nfs/dbraw/zinc/35/87/52/1066358752.db2.gz GGEIVSQYAJHWCJ-SANMLTNESA-N 1 2 454.567 3.043 20 0 JGADLO COc1cccc([C@@H](O)C2CCN(C(=O)C[N@H+]3CCc4cc(OC)c(OC)cc4C3)CC2)c1 ZINC001302013502 1066358763 /nfs/dbraw/zinc/35/87/63/1066358763.db2.gz GGEIVSQYAJHWCJ-SANMLTNESA-N 1 2 454.567 3.043 20 0 JGADLO CC(C)(C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001302020701 1066373127 /nfs/dbraw/zinc/37/31/27/1066373127.db2.gz GUCOFXUQHLKCQH-UHFFFAOYSA-N 1 2 496.059 3.402 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302026972 1066388266 /nfs/dbraw/zinc/38/82/66/1066388266.db2.gz WVJFTQDWQWHQFD-KRWDZBQOSA-N 1 2 477.572 3.282 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001302026972 1066388282 /nfs/dbraw/zinc/38/82/82/1066388282.db2.gz WVJFTQDWQWHQFD-KRWDZBQOSA-N 1 2 477.572 3.282 20 0 JGADLO COCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001301574025 1066399348 /nfs/dbraw/zinc/39/93/48/1066399348.db2.gz ILEXSKATSOKGCB-UHFFFAOYSA-N 1 2 464.618 3.239 20 0 JGADLO CC(C)(C)c1ccc(OCc2nnc(N3CC[NH+](CC4CC4)CC3)n2CCCS(C)(=O)=O)cc1 ZINC001302033328 1066402190 /nfs/dbraw/zinc/40/21/90/1066402190.db2.gz JJLCHVBFUTZZQS-UHFFFAOYSA-N 1 2 489.686 3.121 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3cc(F)cc(F)c3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302042262 1066419305 /nfs/dbraw/zinc/41/93/05/1066419305.db2.gz JOIQFSLXZSUKIZ-MRXNPFEDSA-N 1 2 472.540 3.352 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302044022 1066424113 /nfs/dbraw/zinc/42/41/13/1066424113.db2.gz RNARSEAXVYRSAI-KZNAEPCWSA-N 1 2 479.572 3.125 20 0 JGADLO COCCCN(C)c1nnc(-c2cccnc2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001301590970 1066429700 /nfs/dbraw/zinc/42/97/00/1066429700.db2.gz PHYBQBZSACRYON-HSZRJFAPSA-N 1 2 450.587 3.195 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC=C(c3ccccc3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302047985 1066431520 /nfs/dbraw/zinc/43/15/20/1066431520.db2.gz PQOGMTVRFHYAQR-OAQYLSRUSA-N 1 2 469.630 3.407 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC[C@@H](OC)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001302055066 1066448519 /nfs/dbraw/zinc/44/85/19/1066448519.db2.gz APOJNSUMMSRUGK-RBBKRZOGSA-N 1 2 472.634 3.297 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCCCCC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302066768 1066468609 /nfs/dbraw/zinc/46/86/09/1066468609.db2.gz VTFCAEFNNLKPET-JTHBVZDNSA-N 1 2 457.619 3.456 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302067175 1066469329 /nfs/dbraw/zinc/46/93/29/1066469329.db2.gz XVZURABDUNIQIK-PXDATVDWSA-N 1 2 461.651 3.440 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CC(C)(C)c1cccs1 ZINC001302083720 1066505946 /nfs/dbraw/zinc/50/59/46/1066505946.db2.gz IXLXINKIDUHZNZ-SFHVURJKSA-N 1 2 485.658 3.466 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001302085599 1066509786 /nfs/dbraw/zinc/50/97/86/1066509786.db2.gz SZOFAGBVJHHOGJ-IEBWSBKVSA-N 1 2 477.679 3.205 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001302085682 1066509968 /nfs/dbraw/zinc/50/99/68/1066509968.db2.gz ULESLXTZMLADDL-OALUTQOASA-N 1 2 483.592 3.370 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1C[C@@H]1CCSC1(C)C ZINC001302088542 1066514051 /nfs/dbraw/zinc/51/40/51/1066514051.db2.gz FGGPOMRMYGTDFV-OALUTQOASA-N 1 2 478.663 3.152 20 0 JGADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001301650163 1066516334 /nfs/dbraw/zinc/51/63/34/1066516334.db2.gz ZNCXADTXBPYTGR-IBGZPJMESA-N 1 2 453.566 3.253 20 0 JGADLO C[C@H]1Cn2nc(C(=O)N3CC[NH2+][C@H](c4ccc(Cl)cc4)C3)cc2CN1C(=O)OC(C)(C)C ZINC001301660270 1066530268 /nfs/dbraw/zinc/53/02/68/1066530268.db2.gz CQJPEBJNZJDWBQ-YWZLYKJASA-N 1 2 459.978 3.462 20 0 JGADLO CC(C)(C)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302099760 1066532421 /nfs/dbraw/zinc/53/24/21/1066532421.db2.gz UOZNDMVBWJJRTD-VWLOTQADSA-N 1 2 456.635 3.497 20 0 JGADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CC=CCC2)CC1 ZINC001301662679 1066534808 /nfs/dbraw/zinc/53/48/08/1066534808.db2.gz YPEAVKGIFQEOPY-XZOQPEGZSA-N 1 2 480.657 3.273 20 0 JGADLO COCCO[C@@H](C)c1nnc(Nc2ccn(C)n2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001302119925 1066561074 /nfs/dbraw/zinc/56/10/74/1066561074.db2.gz QESJHJFGDKTYOB-SFHVURJKSA-N 1 2 454.579 3.159 20 0 JGADLO COCCCOC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001301679962 1066562269 /nfs/dbraw/zinc/56/22/69/1066562269.db2.gz SVBZSGZZSDARIH-UHFFFAOYSA-N 1 2 486.661 3.169 20 0 JGADLO COCCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001301682886 1066566049 /nfs/dbraw/zinc/56/60/49/1066566049.db2.gz JTAIFLWGJCYNSF-JPYJTQIMSA-N 1 2 496.077 3.362 20 0 JGADLO C[N@@H+]1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)CCC1(C)C ZINC001301684652 1066568284 /nfs/dbraw/zinc/56/82/84/1066568284.db2.gz HKOAUEDIGNDOKX-UHFFFAOYSA-N 1 2 451.976 3.403 20 0 JGADLO C[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)CCC1(C)C ZINC001301684652 1066568297 /nfs/dbraw/zinc/56/82/97/1066568297.db2.gz HKOAUEDIGNDOKX-UHFFFAOYSA-N 1 2 451.976 3.403 20 0 JGADLO CC(C)(C)Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001302133257 1066578490 /nfs/dbraw/zinc/57/84/90/1066578490.db2.gz XJNDMCQUOVGSKB-SFHVURJKSA-N 1 2 493.578 3.415 20 0 JGADLO CC(C)(C)Cc1nnc(N2CCC(CC(N)=O)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302134203 1066579716 /nfs/dbraw/zinc/57/97/16/1066579716.db2.gz IQJKZKSPZJJJGO-QFIPXVFZSA-N 1 2 468.646 3.032 20 0 JGADLO COCCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302167408 1066634018 /nfs/dbraw/zinc/63/40/18/1066634018.db2.gz UNTLGKKKKIZSAA-HXUWFJFHSA-N 1 2 456.978 3.350 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Br)s3)nnc2N2CCC=C(C)C2)CC1 ZINC001301763673 1066703600 /nfs/dbraw/zinc/70/36/00/1066703600.db2.gz HMYQGNRIIVASTM-UHFFFAOYSA-N 1 2 479.448 3.090 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(-c3cc4ccccc4o3)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001301764019 1066704347 /nfs/dbraw/zinc/70/43/47/1066704347.db2.gz LSCZMVMXMGPECK-UHFFFAOYSA-N 1 2 468.602 3.107 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CC[C@H](c3cccc(C)c3)C2)CC1 ZINC001301771977 1066715362 /nfs/dbraw/zinc/71/53/62/1066715362.db2.gz ZETZYLRPCHVCRO-QHCPKHFHSA-N 1 2 452.647 3.333 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001301771956 1066715386 /nfs/dbraw/zinc/71/53/86/1066715386.db2.gz YHQQZJYZIKRAIZ-HDICACEKSA-N 1 2 495.018 3.414 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCCC2(C)C)CC1 ZINC001301775014 1066720437 /nfs/dbraw/zinc/72/04/37/1066720437.db2.gz LHGITTJDIHCWFN-UHFFFAOYSA-N 1 2 454.619 3.017 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3ccccc3F)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001301775116 1066721159 /nfs/dbraw/zinc/72/11/59/1066721159.db2.gz NOUSIUXIXKPCDD-OAQYLSRUSA-N 1 2 472.609 3.033 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(Cl)cc3Cl)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001301775522 1066721304 /nfs/dbraw/zinc/72/13/04/1066721304.db2.gz QTYZZZKOOZVQIK-CALCHBBNSA-N 1 2 495.455 3.420 20 0 JGADLO CC(=O)Nc1ccc(Cn2c(C)nnc2N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC001301780316 1066729671 /nfs/dbraw/zinc/72/96/71/1066729671.db2.gz XHMUQFIPKADEKD-OAQYLSRUSA-N 1 2 454.600 3.164 20 0 JGADLO COCCN(Cc1ccc2c(c1)OCO2)c1nnc(C(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001301780503 1066730061 /nfs/dbraw/zinc/73/00/61/1066730061.db2.gz JCZBTNCISCZARZ-UHFFFAOYSA-N 1 2 466.586 3.467 20 0 JGADLO C[C@H]1Cn2nc(C(=O)NCCn3c[nH+]cc3-c3ccccc3)cc2CN1C(=O)OC(C)(C)C ZINC001301784476 1066732636 /nfs/dbraw/zinc/73/26/36/1066732636.db2.gz SKEZPCQKIFAKBF-KRWDZBQOSA-N 1 2 450.543 3.316 20 0 JGADLO Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CC[NH2+][C@@H](c4ccc(O)cc4)C3)c2)c1 ZINC001301804892 1066757036 /nfs/dbraw/zinc/75/70/36/1066757036.db2.gz WJPXRFFUTKBTEN-HSZRJFAPSA-N 1 2 451.548 3.288 20 0 JGADLO Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CC[NH2+][C@H](c4ccc(O)cc4)C3)c2)c1 ZINC001301804893 1066757233 /nfs/dbraw/zinc/75/72/33/1066757233.db2.gz WJPXRFFUTKBTEN-QHCPKHFHSA-N 1 2 451.548 3.288 20 0 JGADLO CC(=O)N[C@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301833992 1066801310 /nfs/dbraw/zinc/80/13/10/1066801310.db2.gz WNLGFQBBWFESPW-PXNSSMCTSA-N 1 2 493.077 3.049 20 0 JGADLO CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(C(C)(C)C)n2CCc2cn3ccccc3[nH+]2)CCO1 ZINC001302265202 1066819185 /nfs/dbraw/zinc/81/91/85/1066819185.db2.gz PTMNORYNHSKGRU-IBGZPJMESA-N 1 2 483.617 3.196 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001302296129 1066877371 /nfs/dbraw/zinc/87/73/71/1066877371.db2.gz OTPNLWHNRISZQV-PMVMPFDFSA-N 1 2 484.645 3.079 20 0 JGADLO CC(=O)NCC1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001301889633 1066907913 /nfs/dbraw/zinc/90/79/13/1066907913.db2.gz BBNMDTPBCWHXHK-UHFFFAOYSA-N 1 2 467.643 3.323 20 0 JGADLO CC(C)(C)[S@@](=O)CCn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001302325618 1066925436 /nfs/dbraw/zinc/92/54/36/1066925436.db2.gz CHVOTKSXAKCTRX-YTTGMZPUSA-N 1 2 472.684 3.195 20 0 JGADLO CC(C)(C)[S@@](=O)CCn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001302326627 1066927946 /nfs/dbraw/zinc/92/79/46/1066927946.db2.gz ROLKHJCTEUTPMF-DHUJRADRSA-N 1 2 496.681 3.012 20 0 JGADLO CC(C)(C)[S@@](=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001302327261 1066928691 /nfs/dbraw/zinc/92/86/91/1066928691.db2.gz XPBWSBVYPXUWQG-KTBRYMIGSA-N 1 2 465.708 3.107 20 0 JGADLO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001302330022 1066930636 /nfs/dbraw/zinc/93/06/36/1066930636.db2.gz NUIWFBKNKHBBNH-RTBURBONSA-N 1 2 481.707 3.085 20 0 JGADLO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CC[NH+](CCc4ccncc4)CC3)cc2C1 ZINC001301906510 1066931383 /nfs/dbraw/zinc/93/13/83/1066931383.db2.gz UVGJDSPSIVCCFZ-UHFFFAOYSA-N 1 2 450.583 3.375 20 0 JGADLO CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001302336783 1066936240 /nfs/dbraw/zinc/93/62/40/1066936240.db2.gz SSZNMOWWHMQQPG-UHFFFAOYSA-N 1 2 466.590 3.298 20 0 JGADLO CC(=O)NCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001301916390 1066947052 /nfs/dbraw/zinc/94/70/52/1066947052.db2.gz LDQLREACTKCNPS-VWLOTQADSA-N 1 2 495.716 3.374 20 0 JGADLO CON(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001302357039 1066948901 /nfs/dbraw/zinc/94/89/01/1066948901.db2.gz JBRJNWIZGIXDOS-MRXNPFEDSA-N 1 2 458.950 3.177 20 0 JGADLO CON(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001302359663 1066951104 /nfs/dbraw/zinc/95/11/04/1066951104.db2.gz IJTYOXACHKOLCL-HDICACEKSA-N 1 2 453.547 3.280 20 0 JGADLO CO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302368046 1066957426 /nfs/dbraw/zinc/95/74/26/1066957426.db2.gz ZFYCSZHKWIJNHH-GOSISDBHSA-N 1 2 457.376 3.442 20 0 JGADLO CC(C)=CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001302393400 1066972996 /nfs/dbraw/zinc/97/29/96/1066972996.db2.gz FQOOLHVMNCXXKY-FQEVSTJZSA-N 1 2 462.639 3.475 20 0 JGADLO CC(C)C(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001302400676 1066980313 /nfs/dbraw/zinc/98/03/13/1066980313.db2.gz CNCMIKYYTHLNOB-IBGZPJMESA-N 1 2 495.603 3.371 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001302408698 1066991639 /nfs/dbraw/zinc/99/16/39/1066991639.db2.gz JMJXQXCKFWLRKC-XZOQPEGZSA-N 1 2 468.646 3.044 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001302408698 1066991650 /nfs/dbraw/zinc/99/16/50/1066991650.db2.gz JMJXQXCKFWLRKC-XZOQPEGZSA-N 1 2 468.646 3.044 20 0 JGADLO CC(C)C(=O)NC1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001302431695 1067019887 /nfs/dbraw/zinc/01/98/87/1067019887.db2.gz QCYAKHAQXHGALJ-UHFFFAOYSA-N 1 2 495.603 3.247 20 0 JGADLO CC(C)C(=O)NCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001302443091 1067040771 /nfs/dbraw/zinc/04/07/71/1067040771.db2.gz HWCNTYFLBPDSJQ-UHFFFAOYSA-N 1 2 483.567 3.031 20 0 JGADLO CC(C)C(=O)NCCN(C)c1nnc(-c2cccnc2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001302453341 1067055759 /nfs/dbraw/zinc/05/57/59/1067055759.db2.gz XDPUTDZKFMPZTQ-FQEVSTJZSA-N 1 2 471.556 3.130 20 0 JGADLO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001302456157 1067057708 /nfs/dbraw/zinc/05/77/08/1067057708.db2.gz RFDLTADOWCBOMB-UXHICEINSA-N 1 2 478.588 3.309 20 0 JGADLO Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@H]2C)cnn1C ZINC001304016521 1067060456 /nfs/dbraw/zinc/06/04/56/1067060456.db2.gz XZSDZYPPMMCQJW-DENIHFKCSA-N 1 2 481.645 3.434 20 0 JGADLO Cc1c(CN(C)c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@H]2C)cnn1C ZINC001304016521 1067060465 /nfs/dbraw/zinc/06/04/65/1067060465.db2.gz XZSDZYPPMMCQJW-DENIHFKCSA-N 1 2 481.645 3.434 20 0 JGADLO Cc1noc(C)c1Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001304020695 1067064724 /nfs/dbraw/zinc/06/47/24/1067064724.db2.gz VRSIKCLJUFIVQU-NRFANRHFSA-N 1 2 468.602 3.456 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2CC[N@@H+]2CCOCC2(C)C)c1C ZINC001304025966 1067072158 /nfs/dbraw/zinc/07/21/58/1067072158.db2.gz KCTULENJTOVCTR-NRFANRHFSA-N 1 2 457.619 3.372 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCCOCC3)n2CC[N@H+]2CCOCC2(C)C)c1C ZINC001304025966 1067072169 /nfs/dbraw/zinc/07/21/69/1067072169.db2.gz KCTULENJTOVCTR-NRFANRHFSA-N 1 2 457.619 3.372 20 0 JGADLO Cc1nc(CCn2c(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)sc1C ZINC001304048759 1067091194 /nfs/dbraw/zinc/09/11/94/1067091194.db2.gz BGPAHELAHXWCCA-NRFANRHFSA-N 1 2 489.734 3.123 20 0 JGADLO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(Cc1cccc(F)c1)C(C)C)[NH+]1CCOCC1 ZINC001302509799 1067116058 /nfs/dbraw/zinc/11/60/58/1067116058.db2.gz GNZFXBIVIVZSGB-QHCPKHFHSA-N 1 2 486.636 3.425 20 0 JGADLO Cc1ccsc1CCn1c(COc2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1 ZINC001304074742 1067119427 /nfs/dbraw/zinc/11/94/27/1067119427.db2.gz XITGIFVSTZWFOU-UHFFFAOYSA-N 1 2 459.591 3.377 20 0 JGADLO Cc1c(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)cnn1C ZINC001304082072 1067128133 /nfs/dbraw/zinc/12/81/33/1067128133.db2.gz UBSVKILGXWFAGJ-IBGZPJMESA-N 1 2 485.608 3.346 20 0 JGADLO Cc1c(CN(C)c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)cnn1C ZINC001304082072 1067128139 /nfs/dbraw/zinc/12/81/39/1067128139.db2.gz UBSVKILGXWFAGJ-IBGZPJMESA-N 1 2 485.608 3.346 20 0 JGADLO CC(C)c1csc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[NH+]2CCOCC2)n1 ZINC001302542036 1067173748 /nfs/dbraw/zinc/17/37/48/1067173748.db2.gz QGKJGBXBQSDQOD-UHFFFAOYSA-N 1 2 462.023 3.390 20 0 JGADLO CS[C@@H](C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC[NH+]1CCOCC1 ZINC001302548255 1067184569 /nfs/dbraw/zinc/18/45/69/1067184569.db2.gz NPMJDKAHOWTQCS-AWEZNQCLSA-N 1 2 472.428 3.367 20 0 JGADLO CS[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001302548635 1067185416 /nfs/dbraw/zinc/18/54/16/1067185416.db2.gz RYGQWXALAUQPJZ-AEFFLSMTSA-N 1 2 496.523 3.392 20 0 JGADLO CS[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001302548636 1067185482 /nfs/dbraw/zinc/18/54/82/1067185482.db2.gz RYGQWXALAUQPJZ-FUHWJXTLSA-N 1 2 496.523 3.392 20 0 JGADLO CS[C@@H](C)Cn1c(COc2ccccc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001302569737 1067208730 /nfs/dbraw/zinc/20/87/30/1067208730.db2.gz OHYONKQUWFNCKN-INIZCTEOSA-N 1 2 457.579 3.173 20 0 JGADLO CS[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302578199 1067216373 /nfs/dbraw/zinc/21/63/73/1067216373.db2.gz LRCRGZBQFKQKKX-QUCCMNQESA-N 1 2 473.691 3.184 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccon3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304169846 1067217643 /nfs/dbraw/zinc/21/76/43/1067217643.db2.gz XDXIEUUEHVATBF-UHFFFAOYSA-N 1 2 467.618 3.124 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccon3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304169846 1067217649 /nfs/dbraw/zinc/21/76/49/1067217649.db2.gz XDXIEUUEHVATBF-UHFFFAOYSA-N 1 2 467.618 3.124 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001304183555 1067234287 /nfs/dbraw/zinc/23/42/87/1067234287.db2.gz WMMSHOQJYDCIFQ-SFTDATJTSA-N 1 2 457.619 3.198 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001304183555 1067234294 /nfs/dbraw/zinc/23/42/94/1067234294.db2.gz WMMSHOQJYDCIFQ-SFTDATJTSA-N 1 2 457.619 3.198 20 0 JGADLO CC(C)c1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1CCCNc1cccc[nH+]1 ZINC001302614851 1067248724 /nfs/dbraw/zinc/24/87/24/1067248724.db2.gz PSMQLTKWKVJHQY-UHFFFAOYSA-N 1 2 455.592 3.005 20 0 JGADLO Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)cs1 ZINC001304210429 1067254680 /nfs/dbraw/zinc/25/46/80/1067254680.db2.gz CSNNDFSRHGYQDN-LJQANCHMSA-N 1 2 488.683 3.406 20 0 JGADLO CSC1(Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC[NH+]2CCOCC2)CCOCC1 ZINC001302625770 1067255952 /nfs/dbraw/zinc/25/59/52/1067255952.db2.gz XDVOEXLGCDATRQ-UHFFFAOYSA-N 1 2 496.077 3.191 20 0 JGADLO CC(C)c1nnc(N2CCC(Cn3cncn3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001302628844 1067259066 /nfs/dbraw/zinc/25/90/66/1067259066.db2.gz KKNLWGPXAZYGQA-FQEVSTJZSA-N 1 2 458.561 3.491 20 0 JGADLO Cc1cc(Cn2c(CC(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)ccc1F ZINC001304221460 1067261902 /nfs/dbraw/zinc/26/19/02/1067261902.db2.gz JEERTLFEUIQYGE-FQEVSTJZSA-N 1 2 456.610 3.105 20 0 JGADLO Cc1cc(N2CCN(c3nnc(CC(C)C)n3CCC(=O)NC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304244975 1067279448 /nfs/dbraw/zinc/27/94/48/1067279448.db2.gz BDCOTYXURIBTHQ-UHFFFAOYSA-N 1 2 470.666 3.330 20 0 JGADLO Cc1cc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCCOCC(F)F)CC2)nc(C(C)C)[nH+]1 ZINC001304245082 1067279927 /nfs/dbraw/zinc/27/99/27/1067279927.db2.gz GANDJQJUPRRSKF-UHFFFAOYSA-N 1 2 474.560 3.493 20 0 JGADLO Cc1cc(N2CCN(c3nnc(-c4cccn4C)n3CC[S@@](=O)C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245059 1067279968 /nfs/dbraw/zinc/27/99/68/1067279968.db2.gz FOYXGAZZEYAYLZ-PGUFJCEWSA-N 1 2 498.701 3.379 20 0 JGADLO Cc1cc(N2CCN(c3nnc([C@H]4CCCCO4)n3C[C@@](C)(O)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245552 1067280734 /nfs/dbraw/zinc/28/07/34/1067280734.db2.gz MGAYRKYCSRYEMS-CJFMBICVSA-N 1 2 471.650 3.475 20 0 JGADLO CS[C@@H]1CCCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302664852 1067292398 /nfs/dbraw/zinc/29/23/98/1067292398.db2.gz HWTOYSWCETXNNE-HYBUGGRVSA-N 1 2 481.707 3.151 20 0 JGADLO CS[C@H]1CCCCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001302682417 1067308022 /nfs/dbraw/zinc/30/80/22/1067308022.db2.gz XCWUKTAAWBWSML-IBGZPJMESA-N 1 2 492.640 3.033 20 0 JGADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001304275991 1067314297 /nfs/dbraw/zinc/31/42/97/1067314297.db2.gz ZTYFTHVHMYWUOV-RTWAWAEBSA-N 1 2 457.619 3.235 20 0 JGADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001304275991 1067314310 /nfs/dbraw/zinc/31/43/10/1067314310.db2.gz ZTYFTHVHMYWUOV-RTWAWAEBSA-N 1 2 457.619 3.235 20 0 JGADLO CC(C)c1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302703808 1067326481 /nfs/dbraw/zinc/32/64/81/1067326481.db2.gz BRYMSBWLXUJRER-PXNSSMCTSA-N 1 2 465.545 3.302 20 0 JGADLO CC(C)c1nnc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302703808 1067326493 /nfs/dbraw/zinc/32/64/93/1067326493.db2.gz BRYMSBWLXUJRER-PXNSSMCTSA-N 1 2 465.545 3.302 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001304287822 1067330848 /nfs/dbraw/zinc/33/08/48/1067330848.db2.gz KFMJVYYAZJRHMK-XZOQPEGZSA-N 1 2 471.646 3.446 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302727840 1067343664 /nfs/dbraw/zinc/34/36/64/1067343664.db2.gz UJFSSKANZRXLNE-IRXDYDNUSA-N 1 2 453.603 3.446 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302727840 1067343672 /nfs/dbraw/zinc/34/36/72/1067343672.db2.gz UJFSSKANZRXLNE-IRXDYDNUSA-N 1 2 453.603 3.446 20 0 JGADLO Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1Br ZINC001304313560 1067360663 /nfs/dbraw/zinc/36/06/63/1067360663.db2.gz WKCCMSPXZVBTSC-UHFFFAOYSA-N 1 2 498.429 3.227 20 0 JGADLO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)c1cccc(Cl)c1Cl ZINC001302759875 1067362777 /nfs/dbraw/zinc/36/27/77/1067362777.db2.gz BWLOLKQQJQHWJD-SUMWQHHRSA-N 1 2 457.358 3.344 20 0 JGADLO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)c1cccc(Cl)c1Cl ZINC001302759875 1067362787 /nfs/dbraw/zinc/36/27/87/1067362787.db2.gz BWLOLKQQJQHWJD-SUMWQHHRSA-N 1 2 457.358 3.344 20 0 JGADLO Cc1ccc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCCNC(=O)OC(C)(C)C)o1 ZINC001304323631 1067371487 /nfs/dbraw/zinc/37/14/87/1067371487.db2.gz LTEUZSABWWNXQP-UHFFFAOYSA-N 1 2 467.574 3.483 20 0 JGADLO Cc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC[C@@H]4C)CC3)n2CCCOC(C)C)o1 ZINC001304324677 1067373154 /nfs/dbraw/zinc/37/31/54/1067373154.db2.gz IAPZVSSFGKSNBT-FQEVSTJZSA-N 1 2 472.634 3.185 20 0 JGADLO Cc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC[C@H]4C)CC3)n2CCCOC(C)C)o1 ZINC001304324679 1067373177 /nfs/dbraw/zinc/37/31/77/1067373177.db2.gz IAPZVSSFGKSNBT-HXUWFJFHSA-N 1 2 472.634 3.185 20 0 JGADLO Cc1ccc(-c2nnc(N3CC[NH+](C[C@@H](O)c4ccccc4)CC3)n2CC[S@](=O)C(C)(C)C)o1 ZINC001304324649 1067373257 /nfs/dbraw/zinc/37/32/57/1067373257.db2.gz QRPBIYWMBBVDJL-IFXFPORBSA-N 1 2 485.654 3.249 20 0 JGADLO CC(C)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)CCS1 ZINC001302786796 1067378704 /nfs/dbraw/zinc/37/87/04/1067378704.db2.gz FSWOOBZPJSCXBP-IBGZPJMESA-N 1 2 485.683 3.357 20 0 JGADLO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[NH+]2CCOCC2)CCS1 ZINC001302790228 1067381586 /nfs/dbraw/zinc/38/15/86/1067381586.db2.gz YPROAZTWTYKQOQ-MXEMCNAFSA-N 1 2 465.708 3.495 20 0 JGADLO CSCCCN(C)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302794424 1067385036 /nfs/dbraw/zinc/38/50/36/1067385036.db2.gz NXJZPPZTVJFFFE-UHFFFAOYSA-N 1 2 458.657 3.400 20 0 JGADLO CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001302798482 1067387300 /nfs/dbraw/zinc/38/73/00/1067387300.db2.gz YDLVFWWNEVAJCB-OYRHQHFDSA-N 1 2 490.737 3.159 20 0 JGADLO Cc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CC[NH+]2CCOCC2)c(O[C@H]2CCOC2)c1 ZINC001304355868 1067395710 /nfs/dbraw/zinc/39/57/10/1067395710.db2.gz IKZUYAMYYAHYCL-QFIPXVFZSA-N 1 2 471.646 3.160 20 0 JGADLO Cc1cn2c([nH+]1)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)ccc1F)CCC2 ZINC001304364170 1067402994 /nfs/dbraw/zinc/40/29/94/1067402994.db2.gz DZFAXTKNDKCATO-ZWKOTPCHSA-N 1 2 489.621 3.055 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)cc1C ZINC001304373944 1067412178 /nfs/dbraw/zinc/41/21/78/1067412178.db2.gz GBCQTSRAYNNMRG-VWLOTQADSA-N 1 2 486.686 3.447 20 0 JGADLO CC(C)Cc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001302830480 1067419863 /nfs/dbraw/zinc/41/98/63/1067419863.db2.gz UVHAPDHFBJKTNY-MBOZVWFJSA-N 1 2 453.628 3.176 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001304377868 1067421330 /nfs/dbraw/zinc/42/13/30/1067421330.db2.gz KAWCWGCCUPDJPW-WOJBJXKFSA-N 1 2 454.619 3.350 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001304377868 1067421335 /nfs/dbraw/zinc/42/13/35/1067421335.db2.gz KAWCWGCCUPDJPW-WOJBJXKFSA-N 1 2 454.619 3.350 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001304378164 1067421785 /nfs/dbraw/zinc/42/17/85/1067421785.db2.gz LRQLFRBWVALBQH-HXUWFJFHSA-N 1 2 484.645 3.262 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001304378164 1067421787 /nfs/dbraw/zinc/42/17/87/1067421787.db2.gz LRQLFRBWVALBQH-HXUWFJFHSA-N 1 2 484.645 3.262 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001304383218 1067432026 /nfs/dbraw/zinc/43/20/26/1067432026.db2.gz JRPQHFQCMZIZPM-FQEVSTJZSA-N 1 2 484.645 3.262 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001304383218 1067432031 /nfs/dbraw/zinc/43/20/31/1067432031.db2.gz JRPQHFQCMZIZPM-FQEVSTJZSA-N 1 2 484.645 3.262 20 0 JGADLO CCOC(=O)CS[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C(F)(F)F ZINC001302852768 1067437667 /nfs/dbraw/zinc/43/76/67/1067437667.db2.gz FOXUYJHCWNSXGU-NVXWUHKLSA-N 1 2 450.548 3.120 20 0 JGADLO CC(C)Cc1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302875548 1067458761 /nfs/dbraw/zinc/45/87/61/1067458761.db2.gz IRQUIRQGQRQWIL-LJQANCHMSA-N 1 2 455.651 3.363 20 0 JGADLO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302880506 1067462003 /nfs/dbraw/zinc/46/20/03/1067462003.db2.gz SGIHGOQORGNOBJ-CYFREDJKSA-N 1 2 459.610 3.286 20 0 JGADLO CC(C)Cc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302880506 1067462008 /nfs/dbraw/zinc/46/20/08/1067462008.db2.gz SGIHGOQORGNOBJ-CYFREDJKSA-N 1 2 459.610 3.286 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)C[C@H]3CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1C ZINC001304402263 1067464710 /nfs/dbraw/zinc/46/47/10/1067464710.db2.gz RCQUXCNARBTLNC-OAQYLSRUSA-N 1 2 450.587 3.456 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CC2(O)CCCCCC2)cc1 ZINC001304403865 1067466262 /nfs/dbraw/zinc/46/62/62/1067466262.db2.gz MSYUXENWEXXBMZ-UHFFFAOYSA-N 1 2 457.619 3.019 20 0 JGADLO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@H](C)O1 ZINC001302893814 1067474852 /nfs/dbraw/zinc/47/48/52/1067474852.db2.gz DBDPYYIAJJHZLX-FVJLSDCUSA-N 1 2 456.541 3.459 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001304410466 1067476531 /nfs/dbraw/zinc/47/65/31/1067476531.db2.gz FNEHTIYTTGMNAU-DEOSSOPVSA-N 1 2 484.689 3.443 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001304410466 1067476536 /nfs/dbraw/zinc/47/65/36/1067476536.db2.gz FNEHTIYTTGMNAU-DEOSSOPVSA-N 1 2 484.689 3.443 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001304412248 1067480820 /nfs/dbraw/zinc/48/08/20/1067480820.db2.gz JESVETIBQHRJGV-FGZHOGPDSA-N 1 2 498.672 3.017 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCCC(=O)N(C)C)cc1C ZINC001304418619 1067492719 /nfs/dbraw/zinc/49/27/19/1067492719.db2.gz UBKSKQUCMTWYQV-UHFFFAOYSA-N 1 2 477.613 3.064 20 0 JGADLO Cc1ccc(OCCn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001304429650 1067507339 /nfs/dbraw/zinc/50/73/39/1067507339.db2.gz QYYZMSNOTOGRKG-UHFFFAOYSA-N 1 2 456.978 3.149 20 0 JGADLO Cc1ccc(OCCn2c(C(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC001304430065 1067507652 /nfs/dbraw/zinc/50/76/52/1067507652.db2.gz UDIVWZCIWKSFFC-DEOSSOPVSA-N 1 2 470.662 3.020 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001304431164 1067509425 /nfs/dbraw/zinc/50/94/25/1067509425.db2.gz CGLLRCUFVJMQBV-SFHVURJKSA-N 1 2 488.683 3.257 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC[N@H+]2CC=CCC2)cc1 ZINC001304432429 1067510827 /nfs/dbraw/zinc/51/08/27/1067510827.db2.gz XOKMVAVJIKHFOM-IBGZPJMESA-N 1 2 463.673 3.010 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001304432429 1067510833 /nfs/dbraw/zinc/51/08/33/1067510833.db2.gz XOKMVAVJIKHFOM-IBGZPJMESA-N 1 2 463.673 3.010 20 0 JGADLO FC(F)(F)CO[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCNc2cccc[nH+]2)C1 ZINC001302938408 1067512028 /nfs/dbraw/zinc/51/20/28/1067512028.db2.gz SMZNIMRNRVKIML-IAGOWNOFSA-N 1 2 454.497 3.227 20 0 JGADLO FC(F)(F)CO[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCCNc2cccc[nH+]2)C1 ZINC001302938407 1067512242 /nfs/dbraw/zinc/51/22/42/1067512242.db2.gz SMZNIMRNRVKIML-DLBZAZTESA-N 1 2 454.497 3.227 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001304436762 1067515306 /nfs/dbraw/zinc/51/53/06/1067515306.db2.gz BGGFTNXCRQHAGM-IBGZPJMESA-N 1 2 465.627 3.478 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001304436763 1067515319 /nfs/dbraw/zinc/51/53/19/1067515319.db2.gz BGGFTNXCRQHAGM-LJQANCHMSA-N 1 2 465.627 3.478 20 0 JGADLO Cc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCO[C@H](COC(C)C)C2)[NH+]2CCOCC2)c1 ZINC001304441608 1067522694 /nfs/dbraw/zinc/52/26/94/1067522694.db2.gz AEPMQNVRXDTYLG-BJKOFHAPSA-N 1 2 471.646 3.414 20 0 JGADLO Cc1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001304443386 1067525336 /nfs/dbraw/zinc/52/53/36/1067525336.db2.gz TYCDKSAIRZUVDC-UXPWSPDFSA-N 1 2 453.509 3.124 20 0 JGADLO Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001304443387 1067525399 /nfs/dbraw/zinc/52/53/99/1067525399.db2.gz TYCDKSAIRZUVDC-VDGAXYAQSA-N 1 2 453.509 3.124 20 0 JGADLO Fc1ccccc1Cc1nnc(N2CCN(CC(F)F)CC2)n1CCCNc1cccc[nH+]1 ZINC001302977235 1067543258 /nfs/dbraw/zinc/54/32/58/1067543258.db2.gz KHIBDIXKMZPIKX-UHFFFAOYSA-N 1 2 459.520 3.292 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[nH+]1 ZINC001304481676 1067561342 /nfs/dbraw/zinc/56/13/42/1067561342.db2.gz GMIKMNFUOJZZOO-IBGZPJMESA-N 1 2 485.633 3.198 20 0 JGADLO Cc1cccc(CCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)[nH+]1 ZINC001304483022 1067562262 /nfs/dbraw/zinc/56/22/62/1067562262.db2.gz RTHDIJMUUHPASR-XIFFEERXSA-N 1 2 463.611 3.389 20 0 JGADLO Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CCCC3)C2)[nH+]1 ZINC001304482837 1067562381 /nfs/dbraw/zinc/56/23/81/1067562381.db2.gz RDXFFXTYKXPSTL-IBGZPJMESA-N 1 2 460.648 3.385 20 0 JGADLO Cc1cccc(CCCn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)[nH+]1 ZINC001304486696 1067565241 /nfs/dbraw/zinc/56/52/41/1067565241.db2.gz NWSLLUREGJULFQ-OAQYLSRUSA-N 1 2 474.030 3.482 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccccc2F)[nH+]1 ZINC001304487291 1067566039 /nfs/dbraw/zinc/56/60/39/1067566039.db2.gz WLMKNKHBAXJGOH-LJQANCHMSA-N 1 2 487.601 3.171 20 0 JGADLO Cc1cccc(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)[nH+]1 ZINC001304488954 1067567007 /nfs/dbraw/zinc/56/70/07/1067567007.db2.gz SYERJQATWQGAKI-RUZDIDTESA-N 1 2 454.619 3.378 20 0 JGADLO Cc1cccc(CCCn2c(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)nnc2C(C)(C)C)[nH+]1 ZINC001304489211 1067567773 /nfs/dbraw/zinc/56/77/73/1067567773.db2.gz YORNEMLGRIVRGU-MRXNPFEDSA-N 1 2 452.525 3.417 20 0 JGADLO Cc1cccc(CCCn2c(N3CC[C@H](C(=O)NCC(F)(F)F)C3)nnc2C(C)(C)C)[nH+]1 ZINC001304489210 1067567793 /nfs/dbraw/zinc/56/77/93/1067567793.db2.gz YORNEMLGRIVRGU-INIZCTEOSA-N 1 2 452.525 3.417 20 0 JGADLO Cc1cccc(OCc2nnc(N(C)CCc3nccs3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001304504298 1067578584 /nfs/dbraw/zinc/57/85/84/1067578584.db2.gz OXMZELYIYGTYIN-LJQANCHMSA-N 1 2 456.616 3.022 20 0 JGADLO Cc1cccc(OCc2nnc(N(C)CCc3nccs3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001304504298 1067578591 /nfs/dbraw/zinc/57/85/91/1067578591.db2.gz OXMZELYIYGTYIN-LJQANCHMSA-N 1 2 456.616 3.022 20 0 JGADLO Cc1cc([C@@](C)(O)Cn2c(COc3cccc(C)c3)nnc2N(C)CC[NH+]2CCOCC2)c(C)o1 ZINC001304504646 1067578842 /nfs/dbraw/zinc/57/88/42/1067578842.db2.gz UFNFVMRHBYTFCE-SANMLTNESA-N 1 2 483.613 3.051 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(COc4cccc(C)c4)n3CC(F)(F)F)CC2)on1 ZINC001304512418 1067588948 /nfs/dbraw/zinc/58/89/48/1067588948.db2.gz PCAQOXPOJURGMP-UHFFFAOYSA-N 1 2 450.465 3.346 20 0 JGADLO CC(C)CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303048648 1067590067 /nfs/dbraw/zinc/59/00/67/1067590067.db2.gz BGRFHPPXLIZIKZ-UHFFFAOYSA-N 1 2 470.647 3.230 20 0 JGADLO CC(C)CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001303050101 1067590733 /nfs/dbraw/zinc/59/07/33/1067590733.db2.gz OYVASTOZEPZQTH-NRFANRHFSA-N 1 2 474.675 3.486 20 0 JGADLO Cc1ccccc1-c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001304522026 1067596840 /nfs/dbraw/zinc/59/68/40/1067596840.db2.gz MVYDEGRFQYDYMP-XLIONFOSSA-N 1 2 461.657 3.487 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001304534681 1067605070 /nfs/dbraw/zinc/60/50/70/1067605070.db2.gz KLGHKNICAFMESY-FCHUYYIVSA-N 1 2 489.686 3.014 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304534681 1067605072 /nfs/dbraw/zinc/60/50/72/1067605072.db2.gz KLGHKNICAFMESY-FCHUYYIVSA-N 1 2 489.686 3.014 20 0 JGADLO O=C(C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(F)(F)F)CC1)N1CCCC1 ZINC001303080142 1067614094 /nfs/dbraw/zinc/61/40/94/1067614094.db2.gz OPFPWSBUHXCPNH-UHFFFAOYSA-N 1 2 474.890 3.044 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCCNC(=O)C(C)C ZINC001304560528 1067630272 /nfs/dbraw/zinc/63/02/72/1067630272.db2.gz SVPRAISYWRZORU-UHFFFAOYSA-N 1 2 461.614 3.061 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001304561946 1067632298 /nfs/dbraw/zinc/63/22/98/1067632298.db2.gz ZXBCGUGJXPHPQQ-IFMALSPDSA-N 1 2 484.645 3.001 20 0 JGADLO CC(C)CCOc1ccc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CC(=O)N(C)C)cc1 ZINC001303103550 1067642124 /nfs/dbraw/zinc/64/21/24/1067642124.db2.gz YMYGJOLGCUDTCT-UHFFFAOYSA-N 1 2 477.613 3.180 20 0 JGADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1)CCC2 ZINC001304607149 1067673675 /nfs/dbraw/zinc/67/36/75/1067673675.db2.gz UEBZMZYPWFFFBG-CVEARBPZSA-N 1 2 453.513 3.278 20 0 JGADLO Cc1cn2c([nH+]1)[C@@H](Cn1c([C@@H]3CCO[C@H]3C(C)(C)C)nnc1N(C)CCCS(C)(=O)=O)CCC2 ZINC001304607668 1067675229 /nfs/dbraw/zinc/67/52/29/1067675229.db2.gz CXRRWNDVSNMGAQ-VAMGGRTRSA-N 1 2 492.690 3.150 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)CCC2 ZINC001304608236 1067676038 /nfs/dbraw/zinc/67/60/38/1067676038.db2.gz MCLASNGEQLFCMV-IRXDYDNUSA-N 1 2 481.567 3.454 20 0 JGADLO CC(C)CN(C)c1nnc(COc2ccc(Br)cc2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001303142904 1067681340 /nfs/dbraw/zinc/68/13/40/1067681340.db2.gz UFKXEOGSQXRCEP-KRWDZBQOSA-N 1 2 466.424 3.433 20 0 JGADLO CC(C)CN(C)c1nnc(COc2ccc(Br)cc2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001303142904 1067681345 /nfs/dbraw/zinc/68/13/45/1067681345.db2.gz UFKXEOGSQXRCEP-KRWDZBQOSA-N 1 2 466.424 3.433 20 0 JGADLO Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304626575 1067697458 /nfs/dbraw/zinc/69/74/58/1067697458.db2.gz ZOMSXUHGNKJSOV-HXUWFJFHSA-N 1 2 483.642 3.289 20 0 JGADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCCCCC2)C1 ZINC001303200869 1067736374 /nfs/dbraw/zinc/73/63/74/1067736374.db2.gz GJSOFYWRXCSPFW-QFIPXVFZSA-N 1 2 489.686 3.476 20 0 JGADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCCCCC2)C1 ZINC001303200869 1067736384 /nfs/dbraw/zinc/73/63/84/1067736384.db2.gz GJSOFYWRXCSPFW-QFIPXVFZSA-N 1 2 489.686 3.476 20 0 JGADLO Cc1nc(Cc2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2CCCC(F)(F)F)cs1 ZINC001304672839 1067742073 /nfs/dbraw/zinc/74/20/73/1067742073.db2.gz HNIHVQCZCYBICL-MRXNPFEDSA-N 1 2 499.607 3.109 20 0 JGADLO Cc1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)s1 ZINC001304692917 1067766184 /nfs/dbraw/zinc/76/61/84/1067766184.db2.gz JWLVLAUWXQUSKD-FXAWDEMLSA-N 1 2 492.646 3.024 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CCc3ccccc3Cl)CC2)s1 ZINC001304699545 1067769787 /nfs/dbraw/zinc/76/97/87/1067769787.db2.gz CIRHRLBLZZBHEL-UHFFFAOYSA-N 1 2 488.061 3.400 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C(F)(F)F)CC2)s1 ZINC001304699406 1067769810 /nfs/dbraw/zinc/76/98/10/1067769810.db2.gz APYQRDKHRSCLKF-UHFFFAOYSA-N 1 2 473.569 3.092 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(CCOc4ccccc4)n3CCC(C)(C)O)CC2)s1 ZINC001304699302 1067769972 /nfs/dbraw/zinc/76/99/72/1067769972.db2.gz DUDRWVUHXSTTMC-UHFFFAOYSA-N 1 2 470.643 3.148 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(=O)NC(C)C)CC2)s1 ZINC001304699601 1067770156 /nfs/dbraw/zinc/77/01/56/1067770156.db2.gz INOQALDIDBLVCA-UHFFFAOYSA-N 1 2 474.034 3.210 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(Cc4cccnc4)n3CCOC(C)(C)C)CC2)s1 ZINC001304699642 1067770335 /nfs/dbraw/zinc/77/03/35/1067770335.db2.gz JKYYNJBXSGGZPB-UHFFFAOYSA-N 1 2 455.632 3.166 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4cccc(Cl)c4)n3CCOCCCO)CC2)s1 ZINC001304700503 1067771349 /nfs/dbraw/zinc/77/13/49/1067771349.db2.gz SUFZCCYVEAFUSS-UHFFFAOYSA-N 1 2 477.034 3.085 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)C)n3CC(=O)N(C)C3CCCCC3)CC2)s1 ZINC001304700686 1067771405 /nfs/dbraw/zinc/77/14/05/1067771405.db2.gz UOEBZUXJBZEONL-UHFFFAOYSA-N 1 2 473.691 3.355 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CC(C)C)n3CC3=CCN(C(=O)OC(C)(C)C)CC3)CC2)cc[nH+]1 ZINC001304701747 1067772586 /nfs/dbraw/zinc/77/25/86/1067772586.db2.gz KLQWXVSCWXWXGA-UHFFFAOYSA-N 1 2 496.660 3.469 20 0 JGADLO Cc1nc(N2CCN(c3nnc(-c4cccc(Br)c4)n3CCCCCO)CC2)cc[nH+]1 ZINC001304701879 1067773131 /nfs/dbraw/zinc/77/31/31/1067773131.db2.gz LNPXLDJTYWHAPS-UHFFFAOYSA-N 1 2 486.418 3.295 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CNC(=O)c4cccs4)n3CC(C)(C)C(C)C)CC2)cc[nH+]1 ZINC001304701774 1067773214 /nfs/dbraw/zinc/77/32/14/1067773214.db2.gz LHIUQRKCMDKMJP-UHFFFAOYSA-N 1 2 482.658 3.377 20 0 JGADLO CC(C)N(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303279719 1067808352 /nfs/dbraw/zinc/80/83/52/1067808352.db2.gz CLHAXWUXJVYCRS-HXUWFJFHSA-N 1 2 486.617 3.244 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)n1 ZINC001304735791 1067809746 /nfs/dbraw/zinc/80/97/46/1067809746.db2.gz KVOPHYFJKFUIAN-PMACEKPBSA-N 1 2 455.582 3.197 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)n1 ZINC001304735791 1067809757 /nfs/dbraw/zinc/80/97/57/1067809757.db2.gz KVOPHYFJKFUIAN-PMACEKPBSA-N 1 2 455.582 3.197 20 0 JGADLO O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001303305353 1067833367 /nfs/dbraw/zinc/83/33/67/1067833367.db2.gz XJIXLTYRFVXRHI-FQEVSTJZSA-N 1 2 451.951 3.050 20 0 JGADLO COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c1 ZINC001303306763 1067834988 /nfs/dbraw/zinc/83/49/88/1067834988.db2.gz RMSGKWBDQNFVKR-FGZHOGPDSA-N 1 2 457.546 3.443 20 0 JGADLO CC(C)N1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4)n3CCOCC(F)(F)C(F)F)C2)CC1 ZINC001303317048 1067845434 /nfs/dbraw/zinc/84/54/34/1067845434.db2.gz OFXDNOPDRPSIEC-FQEVSTJZSA-N 1 2 498.569 3.467 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001303323633 1067852141 /nfs/dbraw/zinc/85/21/41/1067852141.db2.gz GELWORQNIKMCJO-LAUBAEHRSA-N 1 2 478.588 3.249 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001303323635 1067852232 /nfs/dbraw/zinc/85/22/32/1067852232.db2.gz GELWORQNIKMCJO-UWJYYQICSA-N 1 2 478.588 3.249 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)n2CCC(C)(C)O)n1 ZINC001304764980 1067854625 /nfs/dbraw/zinc/85/46/25/1067854625.db2.gz UBBJDRIAZZWFNP-UHFFFAOYSA-N 1 2 472.037 3.276 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@]1(C)CCCS1 ZINC001303330436 1067859744 /nfs/dbraw/zinc/85/97/44/1067859744.db2.gz POEAGMRUPYOXGT-MBSDFSHPSA-N 1 2 492.715 3.273 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CC1CC(F)(F)C1 ZINC001303331472 1067861247 /nfs/dbraw/zinc/86/12/47/1067861247.db2.gz ZFSSGOPGWDHAHO-QGZVFWFLSA-N 1 2 482.601 3.033 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001303337749 1067867511 /nfs/dbraw/zinc/86/75/11/1067867511.db2.gz UKUTYVXWNAXBQM-FYYLOGMGSA-N 1 2 466.630 3.110 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@@H]2CC=CCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001303337749 1067867517 /nfs/dbraw/zinc/86/75/17/1067867517.db2.gz UKUTYVXWNAXBQM-FYYLOGMGSA-N 1 2 466.630 3.110 20 0 JGADLO CC(C)NC(=O)c1nnc(N(Cc2ccccc2F)C2CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001303343815 1067872289 /nfs/dbraw/zinc/87/22/89/1067872289.db2.gz WFBOKDLTKFGZPK-JOCHJYFZSA-N 1 2 472.609 3.081 20 0 JGADLO Cc1nnc(Cn2c(N(C)C[C@@H](c3cccs3)[NH+]3CCOCC3)nnc2C(C)(C)C)s1 ZINC001304787373 1067881464 /nfs/dbraw/zinc/88/14/64/1067881464.db2.gz KTBZOHJNLSHERX-INIZCTEOSA-N 1 2 461.661 3.355 20 0 JGADLO Cc1nnc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)n1CCCNc1cccc[nH+]1 ZINC001304814044 1067889637 /nfs/dbraw/zinc/88/96/37/1067889637.db2.gz STCIYHQVUZJZJJ-UHFFFAOYSA-N 1 2 454.966 3.387 20 0 JGADLO Cc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001304837558 1067898551 /nfs/dbraw/zinc/89/85/51/1067898551.db2.gz BIYDQUHMKGVMPZ-HXUWFJFHSA-N 1 2 455.607 3.466 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001303411253 1067937699 /nfs/dbraw/zinc/93/76/99/1067937699.db2.gz KPCJTJMDEFVWOM-VWLOTQADSA-N 1 2 469.634 3.101 20 0 JGADLO CC(C)NC(=O)c1nnc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001303421101 1067946882 /nfs/dbraw/zinc/94/68/82/1067946882.db2.gz NHTNVHMJRWSSCN-CALCHBBNSA-N 1 2 457.529 3.378 20 0 JGADLO CC(C)NC(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001303422789 1067948209 /nfs/dbraw/zinc/94/82/09/1067948209.db2.gz GFLKILNGUWTWCI-LJQANCHMSA-N 1 2 481.576 3.194 20 0 JGADLO C[C@@H]1C[C@H](C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001304919635 1067961403 /nfs/dbraw/zinc/96/14/03/1067961403.db2.gz LJHAUSBJEHDUQY-JFRXWTBNSA-N 1 2 451.662 3.027 20 0 JGADLO C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001304919642 1067961527 /nfs/dbraw/zinc/96/15/27/1067961527.db2.gz LJHAUSBJEHDUQY-NBMJBFSESA-N 1 2 451.662 3.027 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N3CCC(C(F)(F)F)CC3)n2CC(C)(C)[NH+]2CCOCC2)CCOC1 ZINC001303491096 1068016255 /nfs/dbraw/zinc/01/62/55/1068016255.db2.gz YTRZDVMGGLQGFH-QFIPXVFZSA-N 1 2 489.583 3.208 20 0 JGADLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(CNC(=O)C3(c4ccccn4)CC3)cc2)CC1 ZINC001303492792 1068018333 /nfs/dbraw/zinc/01/83/33/1068018333.db2.gz LHVINDDJDSANDH-UHFFFAOYSA-N 1 2 450.583 3.482 20 0 JGADLO C[C@@H]1CCc2sc(-c3nnc(N(C)CCCS(C)(=O)=O)n3CC[N@H+]3CC=CCC3)cc2C1 ZINC001304982950 1068024499 /nfs/dbraw/zinc/02/44/99/1068024499.db2.gz HJVLVAQFSNFAHB-GOSISDBHSA-N 1 2 477.700 3.264 20 0 JGADLO C[C@@H]1CCc2sc(-c3nnc(N(C)CCCS(C)(=O)=O)n3CC[N@@H+]3CC=CCC3)cc2C1 ZINC001304982950 1068024510 /nfs/dbraw/zinc/02/45/10/1068024510.db2.gz HJVLVAQFSNFAHB-GOSISDBHSA-N 1 2 477.700 3.264 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001303502623 1068033307 /nfs/dbraw/zinc/03/33/07/1068033307.db2.gz OLRXIGQWLMXLPF-HFZDXXHNSA-N 1 2 493.693 3.213 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CCC[C@H](OC(C)(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001303502623 1068033324 /nfs/dbraw/zinc/03/33/24/1068033324.db2.gz OLRXIGQWLMXLPF-HFZDXXHNSA-N 1 2 493.693 3.213 20 0 JGADLO CC(C)OC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001303524953 1068055089 /nfs/dbraw/zinc/05/50/89/1068055089.db2.gz WKIKKKBBUGCENS-DENIHFKCSA-N 1 2 493.649 3.016 20 0 JGADLO CC(C)OCCCn1c(-c2cccc(Br)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001303547283 1068074378 /nfs/dbraw/zinc/07/43/78/1068074378.db2.gz RYBYWIKVGNEZPL-UHFFFAOYSA-N 1 2 466.424 3.291 20 0 JGADLO CC(C)OCCn1c(-c2ccccc2F)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001303561801 1068085510 /nfs/dbraw/zinc/08/55/10/1068085510.db2.gz XDVUMLBKTPVOLI-HXUWFJFHSA-N 1 2 472.609 3.032 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001305036013 1068092391 /nfs/dbraw/zinc/09/23/91/1068092391.db2.gz RHGWRDLLIDZLJQ-UXHICEINSA-N 1 2 489.690 3.338 20 0 JGADLO CC(C)SCCn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001303577167 1068101927 /nfs/dbraw/zinc/10/19/27/1068101927.db2.gz YMASLJRBUSJWIC-OAQYLSRUSA-N 1 2 490.693 3.457 20 0 JGADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(CC2CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303597797 1068122462 /nfs/dbraw/zinc/12/24/62/1068122462.db2.gz YBPNAFOWBAKVCN-KRWDZBQOSA-N 1 2 468.627 3.341 20 0 JGADLO C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303600207 1068127776 /nfs/dbraw/zinc/12/77/76/1068127776.db2.gz HQNVQTMUQYDDSS-WGLOFEKDSA-N 1 2 478.626 3.123 20 0 JGADLO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001303601721 1068131352 /nfs/dbraw/zinc/13/13/52/1068131352.db2.gz KUPVASARQOSZRX-ZUQCGGBESA-N 1 2 459.660 3.375 20 0 JGADLO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001303603259 1068134808 /nfs/dbraw/zinc/13/48/08/1068134808.db2.gz RNGBEIQCFDHFEN-LKUPVBHCSA-N 1 2 489.667 3.448 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)CCOC(C)(C)C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305064284 1068134965 /nfs/dbraw/zinc/13/49/65/1068134965.db2.gz BBSCUYZFCMKCJZ-UHFFFAOYSA-N 1 2 471.650 3.347 20 0 JGADLO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001303606677 1068141069 /nfs/dbraw/zinc/14/10/69/1068141069.db2.gz OVLUSJFNLONYQO-OAQYLSRUSA-N 1 2 482.673 3.387 20 0 JGADLO C[C@@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001303674249 1068211997 /nfs/dbraw/zinc/21/19/97/1068211997.db2.gz LITWJZZLGSXXQE-FQEVSTJZSA-N 1 2 477.613 3.276 20 0 JGADLO C[C@@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001303674249 1068212005 /nfs/dbraw/zinc/21/20/05/1068212005.db2.gz LITWJZZLGSXXQE-FQEVSTJZSA-N 1 2 477.613 3.276 20 0 JGADLO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305126333 1068212911 /nfs/dbraw/zinc/21/29/11/1068212911.db2.gz CJDYMSDEYUOFPL-AZUAARDMSA-N 1 2 499.660 3.205 20 0 JGADLO C[C@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)[nH+]c1)c1nccs1 ZINC001303676462 1068214952 /nfs/dbraw/zinc/21/49/52/1068214952.db2.gz YQFMTUVKYGLMSJ-MRXNPFEDSA-N 1 2 477.598 3.131 20 0 JGADLO C[C@H](CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)[NH+](C)C)c1nccs1 ZINC001303681944 1068218102 /nfs/dbraw/zinc/21/81/02/1068218102.db2.gz AQZRQOPLQPPUBS-IKGGRYGDSA-N 1 2 494.712 3.241 20 0 JGADLO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCOCC1 ZINC001305139522 1068232853 /nfs/dbraw/zinc/23/28/53/1068232853.db2.gz RGBKVFWGNVPBRN-MANSERQUSA-N 1 2 464.010 3.406 20 0 JGADLO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303714474 1068260267 /nfs/dbraw/zinc/26/02/67/1068260267.db2.gz WONXADQWQPFLNU-MOPGFXCFSA-N 1 2 462.639 3.007 20 0 JGADLO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1csc(Br)c1)[NH+]1CCOCC1 ZINC001303717962 1068266486 /nfs/dbraw/zinc/26/64/86/1068266486.db2.gz NIJZSOZZMYXKNS-WBVHZDCISA-N 1 2 484.464 3.353 20 0 JGADLO C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)[NH+]1CCOCC1 ZINC001303729545 1068284763 /nfs/dbraw/zinc/28/47/63/1068284763.db2.gz VPBYZBQLUWZQTA-INIZCTEOSA-N 1 2 460.504 3.038 20 0 JGADLO C[C@@H](Cn1c(CCc2ccccc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[NH+]1CCOCC1 ZINC001303734123 1068290138 /nfs/dbraw/zinc/29/01/38/1068290138.db2.gz BWIIBKDPRRDCPE-SFHVURJKSA-N 1 2 491.562 3.173 20 0 JGADLO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303734154 1068290223 /nfs/dbraw/zinc/29/02/23/1068290223.db2.gz CNPPHJVHVZQXJU-GMAHTHKFSA-N 1 2 455.647 3.425 20 0 JGADLO C[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)CCS1 ZINC001305178410 1068292645 /nfs/dbraw/zinc/29/26/45/1068292645.db2.gz JILLZYOMBDRZSY-OALUTQOASA-N 1 2 494.706 3.055 20 0 JGADLO C[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)CCS1 ZINC001305178410 1068292652 /nfs/dbraw/zinc/29/26/52/1068292652.db2.gz JILLZYOMBDRZSY-OALUTQOASA-N 1 2 494.706 3.055 20 0 JGADLO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCSC(C)(C)C1)[NH+]1CCOCC1 ZINC001303744484 1068304835 /nfs/dbraw/zinc/30/48/35/1068304835.db2.gz SARZNJZVWLAGGJ-GBESFXJTSA-N 1 2 494.706 3.101 20 0 JGADLO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCNc2cccc[nH+]2)CCN1CC(F)(F)F ZINC001305198259 1068323436 /nfs/dbraw/zinc/32/34/36/1068323436.db2.gz QLMVTYDFDXSRAP-GOSISDBHSA-N 1 2 474.535 3.234 20 0 JGADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001303771807 1068348760 /nfs/dbraw/zinc/34/87/60/1068348760.db2.gz QZEQYCBRXRGYDN-FUHWJXTLSA-N 1 2 471.583 3.457 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233774 1068380463 /nfs/dbraw/zinc/38/04/63/1068380463.db2.gz FHRRBWBRVOKTEG-NJDAHSKKSA-N 1 2 492.665 3.076 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233774 1068380472 /nfs/dbraw/zinc/38/04/72/1068380472.db2.gz FHRRBWBRVOKTEG-NJDAHSKKSA-N 1 2 492.665 3.076 20 0 JGADLO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305233887 1068380744 /nfs/dbraw/zinc/38/07/44/1068380744.db2.gz HEEWIEZFUMDGFI-DLBZAZTESA-N 1 2 486.617 3.234 20 0 JGADLO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305233887 1068380761 /nfs/dbraw/zinc/38/07/61/1068380761.db2.gz HEEWIEZFUMDGFI-DLBZAZTESA-N 1 2 486.617 3.234 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001305234418 1068383393 /nfs/dbraw/zinc/38/33/93/1068383393.db2.gz PUPLBPWVTSNMCX-MRXNPFEDSA-N 1 2 462.545 3.010 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001305234418 1068383414 /nfs/dbraw/zinc/38/34/14/1068383414.db2.gz PUPLBPWVTSNMCX-MRXNPFEDSA-N 1 2 462.545 3.010 20 0 JGADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCCC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305234641 1068383984 /nfs/dbraw/zinc/38/39/84/1068383984.db2.gz UQIAINAYBFYJSD-RBUKOAKNSA-N 1 2 475.659 3.257 20 0 JGADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCCC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305234641 1068384000 /nfs/dbraw/zinc/38/40/00/1068384000.db2.gz UQIAINAYBFYJSD-RBUKOAKNSA-N 1 2 475.659 3.257 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccn1 ZINC001305234879 1068384751 /nfs/dbraw/zinc/38/47/51/1068384751.db2.gz YNNUGFQKHNNKHY-HXUWFJFHSA-N 1 2 499.660 3.145 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1ccccn1 ZINC001305234879 1068384772 /nfs/dbraw/zinc/38/47/72/1068384772.db2.gz YNNUGFQKHNNKHY-HXUWFJFHSA-N 1 2 499.660 3.145 20 0 JGADLO C[C@@H](Cn1c(C2CC2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001303797629 1068387810 /nfs/dbraw/zinc/38/78/10/1068387810.db2.gz MTVDQXPCTKHPLH-ROUUACIJSA-N 1 2 462.639 3.006 20 0 JGADLO C[C@H](Cn1c(C2CC2)nnc1N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001303797628 1068387956 /nfs/dbraw/zinc/38/79/56/1068387956.db2.gz MTVDQXPCTKHPLH-QZTJIDSGSA-N 1 2 462.639 3.006 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001303802975 1068400646 /nfs/dbraw/zinc/40/06/46/1068400646.db2.gz GXRWICHGXSSSRD-CVEARBPZSA-N 1 2 487.561 3.052 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001303815107 1068426909 /nfs/dbraw/zinc/42/69/09/1068426909.db2.gz HCPVENZCTKBSPO-QGZVFWFLSA-N 1 2 489.621 3.278 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001303817431 1068430870 /nfs/dbraw/zinc/43/08/70/1068430870.db2.gz RIKZEUHVSFGXFC-IBGZPJMESA-N 1 2 489.690 3.338 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001303828951 1068451061 /nfs/dbraw/zinc/45/10/61/1068451061.db2.gz PXDXLYZUTDAIFD-GHTZIAJQSA-N 1 2 485.658 3.054 20 0 JGADLO CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001305295730 1068503092 /nfs/dbraw/zinc/50/30/92/1068503092.db2.gz NWCZROBMKDWZHF-QFIPXVFZSA-N 1 2 488.434 3.231 20 0 JGADLO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305324692 1068545121 /nfs/dbraw/zinc/54/51/21/1068545121.db2.gz SNSIPWFPCMUORO-BCHFMIIMSA-N 1 2 480.613 3.481 20 0 JGADLO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305324693 1068545137 /nfs/dbraw/zinc/54/51/37/1068545137.db2.gz SNSIPWFPCMUORO-NIYFSFCBSA-N 1 2 480.613 3.481 20 0 JGADLO C[C@H](Oc1cccc(Cl)c1)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1CCOCC1 ZINC001303906635 1068552749 /nfs/dbraw/zinc/55/27/49/1068552749.db2.gz LQKIXHFUBQQKOV-SFHVURJKSA-N 1 2 464.010 3.267 20 0 JGADLO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCCS(C)(=O)=O ZINC001303914160 1068564105 /nfs/dbraw/zinc/56/41/05/1068564105.db2.gz WVYTVVDQROYSAV-QGZVFWFLSA-N 1 2 482.050 3.038 20 0 JGADLO CC[C@@H](C)[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001305334960 1068565369 /nfs/dbraw/zinc/56/53/69/1068565369.db2.gz JRRAQWNQEZPXJG-UZUQRXQVSA-N 1 2 455.632 3.153 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1(O)CCCCCC1 ZINC001303923586 1068577385 /nfs/dbraw/zinc/57/73/85/1068577385.db2.gz PTPKJRGDFGHJQU-FQEVSTJZSA-N 1 2 475.609 3.411 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303931813 1068589716 /nfs/dbraw/zinc/58/97/16/1068589716.db2.gz JYIBSKGYHQQODV-QGZVFWFLSA-N 1 2 489.546 3.454 20 0 JGADLO CC[C@H](C)[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1)OC ZINC001305364840 1068620482 /nfs/dbraw/zinc/62/04/82/1068620482.db2.gz XQDYVTRMVQEJLU-ACRUOGEOSA-N 1 2 494.681 3.180 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305381036 1068632492 /nfs/dbraw/zinc/63/24/92/1068632492.db2.gz MFXOQPKEPOUMST-OAHLLOKOSA-N 1 2 452.525 3.009 20 0 JGADLO CC[C@@H](C)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001305409904 1068648663 /nfs/dbraw/zinc/64/86/63/1068648663.db2.gz JELQXCTZUMEAAH-GOSISDBHSA-N 1 2 460.648 3.239 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001305449965 1068684853 /nfs/dbraw/zinc/68/48/53/1068684853.db2.gz PAQWVKASCROHKL-PZJWPPBQSA-N 1 2 499.660 3.423 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001305469604 1068712464 /nfs/dbraw/zinc/71/24/64/1068712464.db2.gz SYCXRUANDZVESS-GOSISDBHSA-N 1 2 460.648 3.239 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001305500628 1068735377 /nfs/dbraw/zinc/73/53/77/1068735377.db2.gz QUTBLIIOQFPDPT-NQIIRXRSSA-N 1 2 465.639 3.466 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001305500628 1068735382 /nfs/dbraw/zinc/73/53/82/1068735382.db2.gz QUTBLIIOQFPDPT-NQIIRXRSSA-N 1 2 465.639 3.466 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001305513225 1068757297 /nfs/dbraw/zinc/75/72/97/1068757297.db2.gz GIYPYDYLENBOIB-UYAOXDASSA-N 1 2 456.639 3.458 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cnccn3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001305528723 1068782472 /nfs/dbraw/zinc/78/24/72/1068782472.db2.gz MSJVPIWZKOEBPH-FXAWDEMLSA-N 1 2 470.572 3.489 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305534863 1068795282 /nfs/dbraw/zinc/79/52/82/1068795282.db2.gz IZACZRLANCDKEF-UPVQGACJSA-N 1 2 482.673 3.478 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305539602 1068807584 /nfs/dbraw/zinc/80/75/84/1068807584.db2.gz FQUCRCPQISEXHM-OALUTQOASA-N 1 2 475.037 3.015 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001305541684 1068812687 /nfs/dbraw/zinc/81/26/87/1068812687.db2.gz ZMHSPASYLMNHJO-SFHVURJKSA-N 1 2 486.642 3.003 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1CCNC(=O)C(C)C ZINC001305541903 1068813507 /nfs/dbraw/zinc/81/35/07/1068813507.db2.gz RKPPIVDTLWXQLC-GOSISDBHSA-N 1 2 460.598 3.034 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1CCNC(=O)C(C)C ZINC001305541904 1068813737 /nfs/dbraw/zinc/81/37/37/1068813737.db2.gz RKPPIVDTLWXQLC-SFHVURJKSA-N 1 2 460.598 3.034 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(C)s1 ZINC001305543161 1068817218 /nfs/dbraw/zinc/81/72/18/1068817218.db2.gz HRAQEWGCGOTAGL-CTNGQTDRSA-N 1 2 460.692 3.441 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCc1cccc(OC)c1 ZINC001305544577 1068820630 /nfs/dbraw/zinc/82/06/30/1068820630.db2.gz RAPCHACQMFPIHG-RCZVLFRGSA-N 1 2 484.689 3.274 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1csc(C)c1 ZINC001305544386 1068820674 /nfs/dbraw/zinc/82/06/74/1068820674.db2.gz PLHCQPWIAKFTRS-KNQAVFIVSA-N 1 2 460.692 3.441 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001305566201 1068842305 /nfs/dbraw/zinc/84/23/05/1068842305.db2.gz WCKKTMICLKXLEW-NHCUHLMSSA-N 1 2 481.707 3.086 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001305566201 1068842320 /nfs/dbraw/zinc/84/23/20/1068842320.db2.gz WCKKTMICLKXLEW-NHCUHLMSSA-N 1 2 481.707 3.086 20 0 JGADLO CC[C@H](C)c1nnc(N2CCO[C@@H](c3nnc(C)o3)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305566998 1068842630 /nfs/dbraw/zinc/84/26/30/1068842630.db2.gz PRZYXBYOIHSJKU-QFBILLFUSA-N 1 2 454.579 3.350 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCO[C@H](c3nnc(C)o3)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305566996 1068842880 /nfs/dbraw/zinc/84/28/80/1068842880.db2.gz PRZYXBYOIHSJKU-APWZRJJASA-N 1 2 454.579 3.350 20 0 JGADLO CC[C@H](C)NC(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305642227 1068961962 /nfs/dbraw/zinc/96/19/62/1068961962.db2.gz PYTIXVZYCTWDQV-NRFANRHFSA-N 1 2 477.613 3.192 20 0 JGADLO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC001305657001 1068995652 /nfs/dbraw/zinc/99/56/52/1068995652.db2.gz QZJYRUFHXRLGJB-DQXPMQHSSA-N 1 2 482.673 3.424 20 0 JGADLO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC001305657001 1068995664 /nfs/dbraw/zinc/99/56/64/1068995664.db2.gz QZJYRUFHXRLGJB-DQXPMQHSSA-N 1 2 482.673 3.424 20 0 JGADLO CC[C@@H](c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@](C)(O)CCOC)c1ccccc1 ZINC001305676421 1069030422 /nfs/dbraw/zinc/03/04/22/1069030422.db2.gz SJYQCBWDYBUDGA-GJZUVCINSA-N 1 2 479.629 3.033 20 0 JGADLO CC[C@@H](c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC(=O)N(C)C)c1ccccc1 ZINC001305677667 1069033543 /nfs/dbraw/zinc/03/35/43/1069033543.db2.gz YVNDOEFJEROWPS-JOCHJYFZSA-N 1 2 490.656 3.457 20 0 JGADLO CC[C@H](c1nnc(N2CCS(=O)(=O)CC2)n1CCCc1cccc(C)[nH+]1)c1ccccc1 ZINC001305681573 1069039988 /nfs/dbraw/zinc/03/99/88/1069039988.db2.gz LDYNOAKHAWNKRW-QFIPXVFZSA-N 1 2 453.612 3.391 20 0 JGADLO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)SC ZINC001305691034 1069057733 /nfs/dbraw/zinc/05/77/33/1069057733.db2.gz RGTNLYUDDYCOOW-NRFANRHFSA-N 1 2 489.734 3.426 20 0 JGADLO CCC(CC)(Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)SC ZINC001305698872 1069076610 /nfs/dbraw/zinc/07/66/10/1069076610.db2.gz BYMGSGRTGXCQEL-UHFFFAOYSA-N 1 2 491.731 3.409 20 0 JGADLO CCC(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(C)C)CC1)[NH+]1CCOCC1 ZINC001305711812 1069111651 /nfs/dbraw/zinc/11/16/51/1069111651.db2.gz DKQUUEZKVWOWIE-DHIUTWEWSA-N 1 2 495.734 3.190 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)cc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305724116 1069138626 /nfs/dbraw/zinc/13/86/26/1069138626.db2.gz QNWYGIKHUYFKEY-UHFFFAOYSA-N 1 2 453.566 3.481 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C)c2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001305726374 1069143482 /nfs/dbraw/zinc/14/34/82/1069143482.db2.gz NCOQIAHYHALSBD-UHFFFAOYSA-N 1 2 491.640 3.421 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)CC2CCOCC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001305728210 1069147710 /nfs/dbraw/zinc/14/77/10/1069147710.db2.gz IULSASPYNNWPNT-IBGZPJMESA-N 1 2 457.623 3.142 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)OC2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305730770 1069151127 /nfs/dbraw/zinc/15/11/27/1069151127.db2.gz LIWHSQFUZUGZIE-SFHVURJKSA-N 1 2 485.633 3.175 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](CC)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001305743965 1069181887 /nfs/dbraw/zinc/18/18/87/1069181887.db2.gz OGJBYXYBABVNLR-NKKJXINNSA-N 1 2 498.672 3.101 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](CC)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001305743965 1069181894 /nfs/dbraw/zinc/18/18/94/1069181894.db2.gz OGJBYXYBABVNLR-NKKJXINNSA-N 1 2 498.672 3.101 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)O[C@@H](C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001305743969 1069181919 /nfs/dbraw/zinc/18/19/19/1069181919.db2.gz OGJBYXYBABVNLR-ZTCOLXNVSA-N 1 2 498.672 3.101 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)O[C@@H](C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001305743969 1069181923 /nfs/dbraw/zinc/18/19/23/1069181923.db2.gz OGJBYXYBABVNLR-ZTCOLXNVSA-N 1 2 498.672 3.101 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC(C)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305750381 1069196070 /nfs/dbraw/zinc/19/60/70/1069196070.db2.gz SMMUUYFVVSLKKP-LJQANCHMSA-N 1 2 469.634 3.101 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001305774985 1069256720 /nfs/dbraw/zinc/25/67/20/1069256720.db2.gz ZYIJROQFUWYYSG-HXUWFJFHSA-N 1 2 478.682 3.091 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001305774985 1069256737 /nfs/dbraw/zinc/25/67/37/1069256737.db2.gz ZYIJROQFUWYYSG-HXUWFJFHSA-N 1 2 478.682 3.091 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@H](C)Oc1ccccc1 ZINC001305782429 1069274916 /nfs/dbraw/zinc/27/49/16/1069274916.db2.gz BHRNHDZRWXGQQH-HXUWFJFHSA-N 1 2 477.613 3.386 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC[C@@H]1CCOC1 ZINC001305784431 1069280293 /nfs/dbraw/zinc/28/02/93/1069280293.db2.gz MCFLWAOGNSFOJW-HXUWFJFHSA-N 1 2 498.676 3.172 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001305784339 1069280457 /nfs/dbraw/zinc/28/04/57/1069280457.db2.gz VORLWWAIWSGAMY-SANMLTNESA-N 1 2 495.628 3.036 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305791990 1069305062 /nfs/dbraw/zinc/30/50/62/1069305062.db2.gz QULKDMCGUZDOAE-RLWLMLJZSA-N 1 2 492.709 3.195 20 0 JGADLO COc1ccc2c(c1)c(CC(=O)NCC[NH+]1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000012812016 195144707 /nfs/dbraw/zinc/14/47/07/195144707.db2.gz YNCRQHLBOYDDQT-UHFFFAOYSA-N 1 2 469.969 3.291 20 0 JGADLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+]3CCCC[C@@H]3[C@@H](C)NC(=O)OC(C)(C)C)n12 ZINC000058159209 195368195 /nfs/dbraw/zinc/36/81/95/195368195.db2.gz ZDZVLCAVFUMUDJ-SJLPKXTDSA-N 1 2 454.575 3.157 20 0 JGADLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+]3CCCC[C@@H]3[C@@H](C)NC(=O)OC(C)(C)C)n12 ZINC000058159209 195368198 /nfs/dbraw/zinc/36/81/98/195368198.db2.gz ZDZVLCAVFUMUDJ-SJLPKXTDSA-N 1 2 454.575 3.157 20 0 JGADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(OCc4ccccc4)cc3Cl)CC2)C1=O ZINC001164638153 719278916 /nfs/dbraw/zinc/27/89/16/719278916.db2.gz DIEZIPAEFATBPN-UHFFFAOYSA-N 1 2 458.990 3.073 20 0 JGADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(OCc4ccccc4)cc3Cl)CC2)C1=O ZINC001164638153 719278917 /nfs/dbraw/zinc/27/89/17/719278917.db2.gz DIEZIPAEFATBPN-UHFFFAOYSA-N 1 2 458.990 3.073 20 0 JGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@H]5[C@H](OCc6ccncc6)CC[C@H]54)c3C2)cc1 ZINC001164645106 719292668 /nfs/dbraw/zinc/29/26/68/719292668.db2.gz CBUBQKNXECEDCN-CYXNTTPDSA-N 1 2 457.578 3.383 20 0 JGADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@H]5[C@H](OCc6ccncc6)CC[C@H]54)c3C2)cc1 ZINC001164645106 719292672 /nfs/dbraw/zinc/29/26/72/719292672.db2.gz CBUBQKNXECEDCN-CYXNTTPDSA-N 1 2 457.578 3.383 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(N)=O)nc(C3CC3)n1)CC2 ZINC001164665961 719356182 /nfs/dbraw/zinc/35/61/82/719356182.db2.gz ZMXAISNYAGIFMU-UHFFFAOYSA-N 1 2 457.582 3.148 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(N)=O)nc(C3CC3)n1)CC2 ZINC001164665961 719356185 /nfs/dbraw/zinc/35/61/85/719356185.db2.gz ZMXAISNYAGIFMU-UHFFFAOYSA-N 1 2 457.582 3.148 20 0 JGADLO COC(=O)c1cc2ccncc2nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673947 719511161 /nfs/dbraw/zinc/51/11/61/719511161.db2.gz USZMSSGVNPWXOB-UHFFFAOYSA-N 1 2 450.514 3.427 20 0 JGADLO COC(=O)c1cc2ccncc2nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673947 719511179 /nfs/dbraw/zinc/51/11/79/719511179.db2.gz USZMSSGVNPWXOB-UHFFFAOYSA-N 1 2 450.514 3.427 20 0 JGADLO O=C(NC1CCCC1)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nn1 ZINC001164677396 719525102 /nfs/dbraw/zinc/52/51/02/719525102.db2.gz DMSOUVZZFUUYGV-UHFFFAOYSA-N 1 2 453.562 3.160 20 0 JGADLO O=C(NC1CCCC1)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nn1 ZINC001164677396 719525113 /nfs/dbraw/zinc/52/51/13/719525113.db2.gz DMSOUVZZFUUYGV-UHFFFAOYSA-N 1 2 453.562 3.160 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(C3OCCCO3)cc2)cn1 ZINC001164703728 719864139 /nfs/dbraw/zinc/86/41/39/719864139.db2.gz KGZQTDJNHRMLFG-KCWPFWIISA-N 1 2 481.593 3.417 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCCC[C@H]1C ZINC001164700642 719867972 /nfs/dbraw/zinc/86/79/72/719867972.db2.gz FEEGVEPQWFKACZ-GOHWNWGWSA-N 1 2 467.614 3.241 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(F)cc1 ZINC001164706512 719869364 /nfs/dbraw/zinc/86/93/64/719869364.db2.gz PRYAWJXRKJDYKQ-KSFYIVLOSA-N 1 2 464.925 3.294 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2nc(-c3cccs3)no2)ccn1 ZINC001164699976 719873854 /nfs/dbraw/zinc/87/38/54/719873854.db2.gz DEQIDDFTOCYWAZ-GAJHUEQPSA-N 1 2 469.567 3.093 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(F)c1 ZINC001164702796 719878362 /nfs/dbraw/zinc/87/83/62/719878362.db2.gz QIWMFMGUKOVNKM-ZHRRBRCNSA-N 1 2 464.925 3.294 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CC2 ZINC001164709456 719906152 /nfs/dbraw/zinc/90/61/52/719906152.db2.gz VFURTTKKZBPVPE-UHFFFAOYSA-N 1 2 474.943 3.117 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)C2)C1 ZINC001164717563 720232872 /nfs/dbraw/zinc/23/28/72/720232872.db2.gz BDNXUMBEOVEORB-NDEPHWFRSA-N 1 2 471.605 3.475 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)C2)C1 ZINC001164717563 720232879 /nfs/dbraw/zinc/23/28/79/720232879.db2.gz BDNXUMBEOVEORB-NDEPHWFRSA-N 1 2 471.605 3.475 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)C2)C1 ZINC001164719716 720256508 /nfs/dbraw/zinc/25/65/08/720256508.db2.gz ODEVKLKVJJTCDH-FQEVSTJZSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4nc(Cl)c(Cl)nc4c3)C2)C1 ZINC001164719716 720256518 /nfs/dbraw/zinc/25/65/18/720256518.db2.gz ODEVKLKVJJTCDH-FQEVSTJZSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3Cl)C2)C1 ZINC001164724944 720307384 /nfs/dbraw/zinc/30/73/84/720307384.db2.gz SWGFQZRMSYHPJS-JOCHJYFZSA-N 1 2 480.396 3.241 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3Cl)C2)C1 ZINC001164724944 720307394 /nfs/dbraw/zinc/30/73/94/720307394.db2.gz SWGFQZRMSYHPJS-JOCHJYFZSA-N 1 2 480.396 3.241 20 0 JGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)cc(N2CCCC2)n1 ZINC001164721076 720312341 /nfs/dbraw/zinc/31/23/41/720312341.db2.gz DLLZWFMZCPUMME-MRXNPFEDSA-N 1 2 467.952 3.292 20 0 JGADLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164725527 720312862 /nfs/dbraw/zinc/31/28/62/720312862.db2.gz WUELLFDLDIYUFU-XMMPIXPASA-N 1 2 459.598 3.052 20 0 JGADLO CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164725527 720312872 /nfs/dbraw/zinc/31/28/72/720312872.db2.gz WUELLFDLDIYUFU-XMMPIXPASA-N 1 2 459.598 3.052 20 0 JGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1c1nc(CN2CCOCC2)nc2sc(C)c(C)c21 ZINC001164721434 720316511 /nfs/dbraw/zinc/31/65/11/720316511.db2.gz GZWFVXWYZRSPTR-FQEVSTJZSA-N 1 2 497.669 3.158 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4csc5ncnc(Cl)c45)CC3)C2=O)cs1 ZINC001164824071 720366415 /nfs/dbraw/zinc/36/64/15/720366415.db2.gz IIVNAEBWPHXIQX-UHFFFAOYSA-N 1 2 463.032 3.423 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4csc5ncnc(Cl)c45)CC3)C2=O)cs1 ZINC001164824071 720366421 /nfs/dbraw/zinc/36/64/21/720366421.db2.gz IIVNAEBWPHXIQX-UHFFFAOYSA-N 1 2 463.032 3.423 20 0 JGADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1C ZINC001164826496 720370315 /nfs/dbraw/zinc/37/03/15/720370315.db2.gz WFROHKNRQPZINK-UHFFFAOYSA-N 1 2 492.045 3.298 20 0 JGADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1C ZINC001164826496 720370323 /nfs/dbraw/zinc/37/03/23/720370323.db2.gz WFROHKNRQPZINK-UHFFFAOYSA-N 1 2 492.045 3.298 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5ccc(Cl)nc5cn4)CC3)C2=O)cs1 ZINC001164821159 720372168 /nfs/dbraw/zinc/37/21/68/720372168.db2.gz YHXZYSXBMNPTSF-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5ccc(Cl)nc5cn4)CC3)C2=O)cs1 ZINC001164821159 720372171 /nfs/dbraw/zinc/37/21/71/720372171.db2.gz YHXZYSXBMNPTSF-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO COc1cc2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nc2cc1OC ZINC001164821126 720373339 /nfs/dbraw/zinc/37/33/39/720373339.db2.gz WTVGTSZFLFSRLT-UHFFFAOYSA-N 1 2 481.622 3.330 20 0 JGADLO COc1cc2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nc2cc1OC ZINC001164821126 720373343 /nfs/dbraw/zinc/37/33/43/720373343.db2.gz WTVGTSZFLFSRLT-UHFFFAOYSA-N 1 2 481.622 3.330 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4ncn5C(C)C)CC3)C2=O)cs1 ZINC001164820577 720376024 /nfs/dbraw/zinc/37/60/24/720376024.db2.gz PWERAXGBZXABFY-UHFFFAOYSA-N 1 2 489.049 3.139 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4ncn5C(C)C)CC3)C2=O)cs1 ZINC001164820577 720376033 /nfs/dbraw/zinc/37/60/33/720376033.db2.gz PWERAXGBZXABFY-UHFFFAOYSA-N 1 2 489.049 3.139 20 0 JGADLO CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)[nH]1 ZINC001164819746 720377301 /nfs/dbraw/zinc/37/73/01/720377301.db2.gz IDTHPGJXEXPSRG-UHFFFAOYSA-N 1 2 474.034 3.252 20 0 JGADLO CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)[nH]1 ZINC001164819746 720377309 /nfs/dbraw/zinc/37/73/09/720377309.db2.gz IDTHPGJXEXPSRG-UHFFFAOYSA-N 1 2 474.034 3.252 20 0 JGADLO COc1ccc(-c2cc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)ncn2)cc1 ZINC001164820005 720380703 /nfs/dbraw/zinc/38/07/03/720380703.db2.gz KFWAVPPBRKJCAE-UHFFFAOYSA-N 1 2 478.622 3.230 20 0 JGADLO COc1ccc(-c2cc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)ncn2)cc1 ZINC001164820005 720380711 /nfs/dbraw/zinc/38/07/11/720380711.db2.gz KFWAVPPBRKJCAE-UHFFFAOYSA-N 1 2 478.622 3.230 20 0 JGADLO COC(=O)c1cc2ccccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164819697 720380907 /nfs/dbraw/zinc/38/09/07/720380907.db2.gz GIGQWWXQRDHNCG-UHFFFAOYSA-N 1 2 479.606 3.100 20 0 JGADLO COC(=O)c1cc2ccccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164819697 720380911 /nfs/dbraw/zinc/38/09/11/720380911.db2.gz GIGQWWXQRDHNCG-UHFFFAOYSA-N 1 2 479.606 3.100 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C)nc(-c5ccco5)n4)CC3)C2=O)cs1 ZINC001164821734 720381278 /nfs/dbraw/zinc/38/12/78/720381278.db2.gz IHYWTQRJWSYCMM-UHFFFAOYSA-N 1 2 452.584 3.123 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C)nc(-c5ccco5)n4)CC3)C2=O)cs1 ZINC001164821734 720381284 /nfs/dbraw/zinc/38/12/84/720381284.db2.gz IHYWTQRJWSYCMM-UHFFFAOYSA-N 1 2 452.584 3.123 20 0 JGADLO COc1cc2[nH+]c(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CCN4C)ccc2c(OC)c1 ZINC001164825938 720383661 /nfs/dbraw/zinc/38/36/61/720383661.db2.gz VXUMBACPLBOWPO-UHFFFAOYSA-N 1 2 481.622 3.330 20 0 JGADLO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164827160 720383880 /nfs/dbraw/zinc/38/38/80/720383880.db2.gz ZOHCSJIMOWLZPQ-UHFFFAOYSA-N 1 2 469.442 3.424 20 0 JGADLO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164827160 720383888 /nfs/dbraw/zinc/38/38/88/720383888.db2.gz ZOHCSJIMOWLZPQ-UHFFFAOYSA-N 1 2 469.442 3.424 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(F)c(-c5ccsc5)n4)CC3)C2=O)cs1 ZINC001164820916 720384673 /nfs/dbraw/zinc/38/46/73/720384673.db2.gz DBXALFFDYODSDI-UHFFFAOYSA-N 1 2 472.615 3.422 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(F)c(-c5ccsc5)n4)CC3)C2=O)cs1 ZINC001164820916 720384682 /nfs/dbraw/zinc/38/46/82/720384682.db2.gz DBXALFFDYODSDI-UHFFFAOYSA-N 1 2 472.615 3.422 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(C(N)=S)c5ccsc54)CC3)C2=O)cs1 ZINC001164821781 720386108 /nfs/dbraw/zinc/38/61/08/720386108.db2.gz IOYJJOBGTATUQU-UHFFFAOYSA-N 1 2 486.692 3.009 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(C(N)=S)c5ccsc54)CC3)C2=O)cs1 ZINC001164821781 720386115 /nfs/dbraw/zinc/38/61/15/720386115.db2.gz IOYJJOBGTATUQU-UHFFFAOYSA-N 1 2 486.692 3.009 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)c(Cl)c1)C2 ZINC001164829038 720431423 /nfs/dbraw/zinc/43/14/23/720431423.db2.gz ZBGLXPXAAWXQMU-CQSZACIVSA-N 1 2 476.355 3.119 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)c(Cl)c1)C2 ZINC001164829036 720431918 /nfs/dbraw/zinc/43/19/18/720431918.db2.gz ZBGLXPXAAWXQMU-AWEZNQCLSA-N 1 2 476.355 3.119 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730204 720460593 /nfs/dbraw/zinc/46/05/93/720460593.db2.gz IOGLCQKWNQZCPG-SFTDATJTSA-N 1 2 453.543 3.270 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730204 720460599 /nfs/dbraw/zinc/46/05/99/720460599.db2.gz IOGLCQKWNQZCPG-SFTDATJTSA-N 1 2 453.543 3.270 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164831310 720461097 /nfs/dbraw/zinc/46/10/97/720461097.db2.gz OQCMLHAZGSGZPC-MRXNPFEDSA-N 1 2 492.958 3.014 20 0 JGADLO Cc1ccc2cc(Cl)nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164829538 720462747 /nfs/dbraw/zinc/46/27/47/720462747.db2.gz FXBUWQMZDUXECY-LJQANCHMSA-N 1 2 455.990 3.383 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cccc3c(Cl)ncnc31)C2 ZINC001164829882 720472873 /nfs/dbraw/zinc/47/28/73/720472873.db2.gz HNNLGQWXDJZFFG-INIZCTEOSA-N 1 2 492.958 3.014 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3cc(F)c(Cl)cc31)C2 ZINC001164831443 720478927 /nfs/dbraw/zinc/47/89/27/720478927.db2.gz FROTWFUZRIOHCK-KRWDZBQOSA-N 1 2 459.953 3.213 20 0 JGADLO Cc1cccc2cc(Cl)nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164831843 720479613 /nfs/dbraw/zinc/47/96/13/720479613.db2.gz HGTVIBXRLBJBOX-IBGZPJMESA-N 1 2 455.990 3.383 20 0 JGADLO COc1cc2c(cc(Cl)nc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cc1F ZINC001164830405 720483371 /nfs/dbraw/zinc/48/33/71/720483371.db2.gz BKOWQRFVKQZTEE-KRWDZBQOSA-N 1 2 489.979 3.222 20 0 JGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001164861665 720895438 /nfs/dbraw/zinc/89/54/38/720895438.db2.gz YKGWDEUMDDWZLC-UHFFFAOYSA-N 1 2 457.872 3.040 20 0 JGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164855940 720895492 /nfs/dbraw/zinc/89/54/92/720895492.db2.gz DLRNNDLQSYSCSP-UHFFFAOYSA-N 1 2 457.872 3.040 20 0 JGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164858697 720896905 /nfs/dbraw/zinc/89/69/05/720896905.db2.gz NNPYQRQUEXYWQG-QHCPKHFHSA-N 1 2 481.919 3.136 20 0 JGADLO c1ncn2c1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C[C@@H](COc1cccnc1)C2 ZINC001164769344 721272184 /nfs/dbraw/zinc/27/21/84/721272184.db2.gz XPWTUNYGUZFUBY-JOCHJYFZSA-N 1 2 467.577 3.342 20 0 JGADLO c1ncn2c1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C[C@@H](COc1cccnc1)C2 ZINC001164769344 721272191 /nfs/dbraw/zinc/27/21/91/721272191.db2.gz XPWTUNYGUZFUBY-JOCHJYFZSA-N 1 2 467.577 3.342 20 0 JGADLO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164785823 721405846 /nfs/dbraw/zinc/40/58/46/721405846.db2.gz NBLIQMZHLMPLFF-KBPBESRZSA-N 1 2 469.945 3.266 20 0 JGADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)cc1 ZINC001165008129 721709846 /nfs/dbraw/zinc/70/98/46/721709846.db2.gz AXIFSDPFYPAROS-UHFFFAOYSA-N 1 2 499.641 3.123 20 0 JGADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)cc1 ZINC001165008129 721709848 /nfs/dbraw/zinc/70/98/48/721709848.db2.gz AXIFSDPFYPAROS-UHFFFAOYSA-N 1 2 499.641 3.123 20 0 JGADLO Clc1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164912501 721773026 /nfs/dbraw/zinc/77/30/26/721773026.db2.gz MXPNZKQLVPKILD-XMMPIXPASA-N 1 2 451.958 3.300 20 0 JGADLO Clc1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164912501 721773033 /nfs/dbraw/zinc/77/30/33/721773033.db2.gz MXPNZKQLVPKILD-XMMPIXPASA-N 1 2 451.958 3.300 20 0 JGADLO CCOC(=O)c1cnc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1Cl ZINC001164910373 721775363 /nfs/dbraw/zinc/77/53/63/721775363.db2.gz BKFXYXGJKSDSIA-JOCHJYFZSA-N 1 2 481.380 3.068 20 0 JGADLO CCOC(=O)c1cnc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1Cl ZINC001164910373 721775374 /nfs/dbraw/zinc/77/53/74/721775374.db2.gz BKFXYXGJKSDSIA-JOCHJYFZSA-N 1 2 481.380 3.068 20 0 JGADLO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911678 721777971 /nfs/dbraw/zinc/77/79/71/721777971.db2.gz IDKRUYALWNCJFE-JOCHJYFZSA-N 1 2 475.927 3.331 20 0 JGADLO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911678 721777976 /nfs/dbraw/zinc/77/79/76/721777976.db2.gz IDKRUYALWNCJFE-JOCHJYFZSA-N 1 2 475.927 3.331 20 0 JGADLO c1[nH]c2ccccc2c1-c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915970 721781826 /nfs/dbraw/zinc/78/18/26/721781826.db2.gz MQXZLODFFSOJGI-SANMLTNESA-N 1 2 456.550 3.128 20 0 JGADLO c1[nH]c2ccccc2c1-c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915970 721781830 /nfs/dbraw/zinc/78/18/30/721781830.db2.gz MQXZLODFFSOJGI-SANMLTNESA-N 1 2 456.550 3.128 20 0 JGADLO Clc1cccc(-c2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)c1 ZINC001164913508 721795334 /nfs/dbraw/zinc/79/53/34/721795334.db2.gz DXGSAGDSDKYTDF-DEOSSOPVSA-N 1 2 451.958 3.300 20 0 JGADLO Clc1cccc(-c2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)c1 ZINC001164913508 721795337 /nfs/dbraw/zinc/79/53/37/721795337.db2.gz DXGSAGDSDKYTDF-DEOSSOPVSA-N 1 2 451.958 3.300 20 0 JGADLO c1ccc(CSc2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164914260 721797423 /nfs/dbraw/zinc/79/74/23/721797423.db2.gz LAUSGUYLDPKRSE-RUZDIDTESA-N 1 2 463.607 3.272 20 0 JGADLO c1ccc(CSc2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164914260 721797427 /nfs/dbraw/zinc/79/74/27/721797427.db2.gz LAUSGUYLDPKRSE-RUZDIDTESA-N 1 2 463.607 3.272 20 0 JGADLO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914272 721801406 /nfs/dbraw/zinc/80/14/06/721801406.db2.gz LCAOJUQLVRDFRG-JOCHJYFZSA-N 1 2 464.944 3.271 20 0 JGADLO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914272 721801408 /nfs/dbraw/zinc/80/14/08/721801408.db2.gz LCAOJUQLVRDFRG-JOCHJYFZSA-N 1 2 464.944 3.271 20 0 JGADLO COc1ccc2[nH+]c(N3CCO[C@@]4(C3)COCCN(Cc3csc(C)n3)C4)cc(C)c2c1 ZINC001164924727 721828047 /nfs/dbraw/zinc/82/80/47/721828047.db2.gz OENJOTPEYUVZMJ-DEOSSOPVSA-N 1 2 454.596 3.425 20 0 JGADLO Cc1ccc(CN(C)c2nc3cc(C[NH+]4CCN(C)CC4)sc3c(N3CCOCC3)n2)cc1 ZINC001165017028 721836581 /nfs/dbraw/zinc/83/65/81/721836581.db2.gz HALHQVMFYHHTBA-UHFFFAOYSA-N 1 2 466.655 3.220 20 0 JGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@@H]5COC[C@@]5(COCc5ccccn5)C4)c3C2)cc1 ZINC001164928238 721838212 /nfs/dbraw/zinc/83/82/12/721838212.db2.gz XHIVLRMYHCLXAM-AJTFRIOCSA-N 1 2 457.578 3.100 20 0 JGADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@@H]5COC[C@@]5(COCc5ccccn5)C4)c3C2)cc1 ZINC001164928238 721838214 /nfs/dbraw/zinc/83/82/14/721838214.db2.gz XHIVLRMYHCLXAM-AJTFRIOCSA-N 1 2 457.578 3.100 20 0 JGADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc2ccccc21 ZINC001164946997 721973630 /nfs/dbraw/zinc/97/36/30/721973630.db2.gz ZWOREKJDJJDIIA-UHFFFAOYSA-N 1 2 458.562 3.383 20 0 JGADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc2ccccc21 ZINC001164946997 721973632 /nfs/dbraw/zinc/97/36/32/721973632.db2.gz ZWOREKJDJJDIIA-UHFFFAOYSA-N 1 2 458.562 3.383 20 0 JGADLO O=C(OCc1ccccc1)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164950481 721979807 /nfs/dbraw/zinc/97/98/07/721979807.db2.gz VDOCUPXSWVGFPS-UHFFFAOYSA-N 1 2 470.573 3.410 20 0 JGADLO O=C(OCc1ccccc1)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164950481 721979809 /nfs/dbraw/zinc/97/98/09/721979809.db2.gz VDOCUPXSWVGFPS-UHFFFAOYSA-N 1 2 470.573 3.410 20 0 JGADLO CS(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2c2ccccc21 ZINC001164971754 722089656 /nfs/dbraw/zinc/08/96/56/722089656.db2.gz BTWIFJHQQLAFDR-RBBKRZOGSA-N 1 2 475.618 3.035 20 0 JGADLO CS(=O)(=O)N1C[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2c2ccccc21 ZINC001164971754 722089658 /nfs/dbraw/zinc/08/96/58/722089658.db2.gz BTWIFJHQQLAFDR-RBBKRZOGSA-N 1 2 475.618 3.035 20 0 JGADLO CCN(CC)c1ccnc([C@H]2COCCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)n1 ZINC001165000120 722226163 /nfs/dbraw/zinc/22/61/63/722226163.db2.gz QLCXQAGJKRMKCK-HSZRJFAPSA-N 1 2 459.598 3.249 20 0 JGADLO CCN(CC)c1ccnc([C@H]2COCCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)n1 ZINC001165000120 722226167 /nfs/dbraw/zinc/22/61/67/722226167.db2.gz QLCXQAGJKRMKCK-HSZRJFAPSA-N 1 2 459.598 3.249 20 0 JGADLO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)NC(=O)OC(C)(C)C ZINC001305826204 1069365610 /nfs/dbraw/zinc/36/56/10/1069365610.db2.gz YGMKEHAIBBOQHA-LJQANCHMSA-N 1 2 495.632 3.006 20 0 JGADLO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)NC(=O)OC(C)(C)C ZINC001305826203 1069365786 /nfs/dbraw/zinc/36/57/86/1069365786.db2.gz YGMKEHAIBBOQHA-IBGZPJMESA-N 1 2 495.632 3.006 20 0 JGADLO CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)NC(=O)OC(C)(C)C ZINC001305838773 1069383136 /nfs/dbraw/zinc/38/31/36/1069383136.db2.gz WULULTOQOUXMET-MOPGFXCFSA-N 1 2 485.633 3.109 20 0 JGADLO CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1)OC ZINC001305838949 1069383613 /nfs/dbraw/zinc/38/36/13/1069383613.db2.gz SCSRKNGODXTZNC-RBUKOAKNSA-N 1 2 464.010 3.061 20 0 JGADLO CN(CC(=O)Nc1cc(F)cc(F)c1)c1nnc(CC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001298220634 1064134193 /nfs/dbraw/zinc/13/41/93/1064134193.db2.gz MNPMQUFMIPLXNQ-UHFFFAOYSA-N 1 2 476.572 3.085 20 0 JGADLO CN(Cc1cc(F)c(F)c(F)c1)c1nnc(CN2CCCC2=O)n1CCCNc1cccc[nH+]1 ZINC001298269494 1064161994 /nfs/dbraw/zinc/16/19/94/1064161994.db2.gz SPSGVQODPYSDME-UHFFFAOYSA-N 1 2 473.503 3.351 20 0 JGADLO CN(Cc1ccccc1Cl)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298353733 1064216465 /nfs/dbraw/zinc/21/64/65/1064216465.db2.gz LECVFBQKWNCWOF-UHFFFAOYSA-N 1 2 484.004 3.326 20 0 JGADLO CN(Cc1ccccc1Cl)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCOCC1(C)C ZINC001298353733 1064216472 /nfs/dbraw/zinc/21/64/72/1064216472.db2.gz LECVFBQKWNCWOF-UHFFFAOYSA-N 1 2 484.004 3.326 20 0 JGADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCC(=O)N1CCC(O)CC1 ZINC001298562862 1064330213 /nfs/dbraw/zinc/33/02/13/1064330213.db2.gz PXFXUXALHRPGRM-OAQYLSRUSA-N 1 2 450.023 3.162 20 0 JGADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCC(=O)N1CCC(O)CC1 ZINC001298562862 1064330222 /nfs/dbraw/zinc/33/02/22/1064330222.db2.gz PXFXUXALHRPGRM-OAQYLSRUSA-N 1 2 450.023 3.162 20 0 JGADLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC001298567701 1064339528 /nfs/dbraw/zinc/33/95/28/1064339528.db2.gz ZVAFFYFDLNXDFT-GOSISDBHSA-N 1 2 457.966 3.200 20 0 JGADLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC001298567701 1064339541 /nfs/dbraw/zinc/33/95/41/1064339541.db2.gz ZVAFFYFDLNXDFT-GOSISDBHSA-N 1 2 457.966 3.200 20 0 JGADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC001298567703 1064339646 /nfs/dbraw/zinc/33/96/46/1064339646.db2.gz ZVAFFYFDLNXDFT-SFHVURJKSA-N 1 2 457.966 3.200 20 0 JGADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC001298567703 1064339661 /nfs/dbraw/zinc/33/96/61/1064339661.db2.gz ZVAFFYFDLNXDFT-SFHVURJKSA-N 1 2 457.966 3.200 20 0 JGADLO CN(CCC(F)F)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001298607771 1064379586 /nfs/dbraw/zinc/37/95/86/1064379586.db2.gz CAYZKJQOHJIDJP-UHFFFAOYSA-N 1 2 460.504 3.379 20 0 JGADLO CN(CCc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001298616931 1064387977 /nfs/dbraw/zinc/38/79/77/1064387977.db2.gz AAHGWPAFYCZTBF-PZJWPPBQSA-N 1 2 491.658 3.363 20 0 JGADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(Cc3ccsc3)n1CCN(C)CC(F)(F)F)C2 ZINC001298711723 1064517645 /nfs/dbraw/zinc/51/76/45/1064517645.db2.gz DQGUSKSVEQLACL-UHFFFAOYSA-N 1 2 479.576 3.448 20 0 JGADLO C[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)Cc1ccc(F)cc1 ZINC001298715441 1064524599 /nfs/dbraw/zinc/52/45/99/1064524599.db2.gz VRWNLTCZTFUPNI-FQEVSTJZSA-N 1 2 465.639 3.151 20 0 JGADLO C[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)Cc1ccc(F)cc1 ZINC001298715441 1064524610 /nfs/dbraw/zinc/52/46/10/1064524610.db2.gz VRWNLTCZTFUPNI-FQEVSTJZSA-N 1 2 465.639 3.151 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1OCCC1(C)C ZINC001298734034 1064549990 /nfs/dbraw/zinc/54/99/90/1064549990.db2.gz WGJCZBIJPDSSJE-LJQANCHMSA-N 1 2 478.435 3.291 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1Cc1ccc(COCC(F)(F)F)cc1 ZINC001298736397 1064550697 /nfs/dbraw/zinc/55/06/97/1064550697.db2.gz FRCLOMMTFOVUNB-UHFFFAOYSA-N 1 2 490.530 3.236 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1CCc1ccc(Br)s1 ZINC001298737311 1064551968 /nfs/dbraw/zinc/55/19/68/1064551968.db2.gz RYEWKZMAZWGAFW-UHFFFAOYSA-N 1 2 477.432 3.175 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccc(Cl)cc2)n1CCCC1CCOCC1 ZINC001298737500 1064552219 /nfs/dbraw/zinc/55/22/19/1064552219.db2.gz CBDMYDSRCXJWGM-UHFFFAOYSA-N 1 2 462.038 3.498 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(C(F)(F)F)n1 ZINC001298740090 1064554207 /nfs/dbraw/zinc/55/42/07/1064554207.db2.gz AULJJZNPPBWCHS-UYAOXDASSA-N 1 2 496.578 3.427 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CSc2ccc(Cl)cc2)n1C[C@H]1CC=CCO1 ZINC001298740836 1064555613 /nfs/dbraw/zinc/55/56/13/1064555613.db2.gz VHIQADXBQWOBPP-LJQANCHMSA-N 1 2 464.035 3.337 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1cccs1 ZINC001298740518 1064555752 /nfs/dbraw/zinc/55/57/52/1064555752.db2.gz LJRYIAQECWIPJM-KDURUIRLSA-N 1 2 490.674 3.121 20 0 JGADLO CN(CCS(C)(=O)=O)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001298782723 1064587524 /nfs/dbraw/zinc/58/75/24/1064587524.db2.gz WXFABOVIMISJOW-FQEVSTJZSA-N 1 2 493.580 3.058 20 0 JGADLO Cn1cccc1-c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CC[S@](=O)C(C)(C)C ZINC001298860933 1064664780 /nfs/dbraw/zinc/66/47/80/1064664780.db2.gz HCJDOAJCSRXMLR-UMSFTDKQSA-N 1 2 484.670 3.032 20 0 JGADLO CNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001298922144 1064722549 /nfs/dbraw/zinc/72/25/49/1064722549.db2.gz RCVOFXGLRBNKAZ-SFHVURJKSA-N 1 2 486.642 3.190 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001298954222 1064744869 /nfs/dbraw/zinc/74/48/69/1064744869.db2.gz ABHYFNGNUCPLEN-HOTGVXAUSA-N 1 2 491.061 3.352 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[N@H+]1CCOC[C@@H]1C ZINC001298954222 1064744879 /nfs/dbraw/zinc/74/48/79/1064744879.db2.gz ABHYFNGNUCPLEN-HOTGVXAUSA-N 1 2 491.061 3.352 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001299002397 1064781504 /nfs/dbraw/zinc/78/15/04/1064781504.db2.gz XGVULEWNSJBOIY-VBSBHUPXSA-N 1 2 471.650 3.098 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001299003506 1064783505 /nfs/dbraw/zinc/78/35/05/1064783505.db2.gz UQYKVCRWDAOVOH-CZTZKLFOSA-N 1 2 483.661 3.059 20 0 JGADLO CNC(=O)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCNc2cccc[nH+]2)CC1 ZINC001299098958 1064904249 /nfs/dbraw/zinc/90/42/49/1064904249.db2.gz OOACYBIOYHWIHE-UHFFFAOYSA-N 1 2 490.612 3.007 20 0 JGADLO CNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001299120350 1064930233 /nfs/dbraw/zinc/93/02/33/1064930233.db2.gz VZIKJCSDPGCEJQ-UHFFFAOYSA-N 1 2 476.625 3.371 20 0 JGADLO CO[C@@]1(C)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001299749576 1064949002 /nfs/dbraw/zinc/94/90/02/1064949002.db2.gz KYJCFVPXGAVXMP-YKSBVNFPSA-N 1 2 487.626 3.250 20 0 JGADLO C[C@H]1CC2(CN1C(=O)C1CC[NH+](Cc3nccn3C)CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001299764432 1064960986 /nfs/dbraw/zinc/96/09/86/1064960986.db2.gz GOXCHINEFVWFTJ-IBGZPJMESA-N 1 2 459.635 3.270 20 0 JGADLO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)C1(C)C ZINC001299818115 1065012055 /nfs/dbraw/zinc/01/20/55/1065012055.db2.gz IYMOHEKZQAFPGC-LEWJYISDSA-N 1 2 450.608 3.386 20 0 JGADLO C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)C1(C)C ZINC001299818118 1065012651 /nfs/dbraw/zinc/01/26/51/1065012651.db2.gz IYMOHEKZQAFPGC-SFTDATJTSA-N 1 2 450.608 3.386 20 0 JGADLO COc1cc(C)c(CN(C)c2nnc(C3CCCC3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC001299824286 1065017771 /nfs/dbraw/zinc/01/77/71/1065017771.db2.gz FVBYQEUKGCXZFB-UHFFFAOYSA-N 1 2 484.645 3.062 20 0 JGADLO COc1cc(-c2nnc(N3CCOCC3)n2CCCc2cccc(C)[nH+]2)cc(OC)c1OC ZINC001299859336 1065072006 /nfs/dbraw/zinc/07/20/06/1065072006.db2.gz ABCYGXPXQNBEOV-UHFFFAOYSA-N 1 2 453.543 3.144 20 0 JGADLO COc1cc(CN(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)[nH+]c2)cc(OC)c1 ZINC001299876040 1065095300 /nfs/dbraw/zinc/09/53/00/1065095300.db2.gz BNBRGNSGKNLEMX-UHFFFAOYSA-N 1 2 490.612 3.303 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001299894960 1065125841 /nfs/dbraw/zinc/12/58/41/1065125841.db2.gz LDTJYMGFSJWGNH-WMZOPIPTSA-N 1 2 494.017 3.126 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCCNC(=O)C(C)C ZINC001299908916 1065154139 /nfs/dbraw/zinc/15/41/39/1065154139.db2.gz HRXITNIREWENQL-UHFFFAOYSA-N 1 2 498.031 3.491 20 0 JGADLO COc1cc2c(cc1Cn1c(CC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1)O[C@@H](C)C2 ZINC001299964920 1065248101 /nfs/dbraw/zinc/24/81/01/1065248101.db2.gz WDGZQMYRPAZRTB-SFHVURJKSA-N 1 2 457.619 3.015 20 0 JGADLO COc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001299996639 1065305789 /nfs/dbraw/zinc/30/57/89/1065305789.db2.gz KWZDPFKEBFLENQ-UHFFFAOYSA-N 1 2 477.613 3.348 20 0 JGADLO Cc1ccc(CNC(=O)C2CCN(c3nnc(CC(C)C)n3C[C@@H](C)[NH+]3CCOCC3)CC2)cc1 ZINC001492206439 1065321381 /nfs/dbraw/zinc/32/13/81/1065321381.db2.gz ZKYJXFWYYARNND-JOCHJYFZSA-N 1 2 482.673 3.039 20 0 JGADLO Cc1ccc(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001492217887 1065327771 /nfs/dbraw/zinc/32/77/71/1065327771.db2.gz SUKCRQZNTILCKZ-NRFANRHFSA-N 1 2 463.586 3.359 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCC(F)(F)C2)cc1C ZINC001492240861 1065339445 /nfs/dbraw/zinc/33/94/45/1065339445.db2.gz RPXWIQMSVXKLJN-LJQANCHMSA-N 1 2 476.572 3.351 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCC(F)(F)C2)cc1C ZINC001492240858 1065339496 /nfs/dbraw/zinc/33/94/96/1065339496.db2.gz RPXWIQMSVXKLJN-IBGZPJMESA-N 1 2 476.572 3.351 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001492240602 1065339530 /nfs/dbraw/zinc/33/95/30/1065339530.db2.gz PPAPUJOTYFUODM-UHFFFAOYSA-N 1 2 484.645 3.121 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001492240602 1065339545 /nfs/dbraw/zinc/33/95/45/1065339545.db2.gz PPAPUJOTYFUODM-UHFFFAOYSA-N 1 2 484.645 3.121 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CCc3nccs3)n2CC[N@H+]2CCOC[C@H]2C)cc1C ZINC001492331012 1065401449 /nfs/dbraw/zinc/40/14/49/1065401449.db2.gz VIENXDHKKPQRAG-HXUWFJFHSA-N 1 2 470.643 3.330 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CCc3nccs3)n2CC[N@@H+]2CCOC[C@H]2C)cc1C ZINC001492331012 1065401455 /nfs/dbraw/zinc/40/14/55/1065401455.db2.gz VIENXDHKKPQRAG-HXUWFJFHSA-N 1 2 470.643 3.330 20 0 JGADLO Cc1ccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)cc1 ZINC001492297721 1065412235 /nfs/dbraw/zinc/41/22/35/1065412235.db2.gz YAXLNUQSCHZARI-UKILVPOCSA-N 1 2 484.689 3.409 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCCNC(=O)C(C)C)cc1 ZINC001492363645 1065424912 /nfs/dbraw/zinc/42/49/12/1065424912.db2.gz LCONLCHPTBXHTH-UHFFFAOYSA-N 1 2 491.640 3.352 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)Cc3cnccn3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001492446959 1065500976 /nfs/dbraw/zinc/50/09/76/1065500976.db2.gz UMQLYWINFXCDIG-UHFFFAOYSA-N 1 2 467.643 3.416 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)Cc3cnccn3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001492447100 1065501129 /nfs/dbraw/zinc/50/11/29/1065501129.db2.gz VSEONUJVDAITFM-IBGZPJMESA-N 1 2 453.616 3.026 20 0 JGADLO Cc1nn(C)c(C)c1Cn1c(CSc2ccc(C)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001492448342 1065501787 /nfs/dbraw/zinc/50/17/87/1065501787.db2.gz BFKFFOIZZCHTCS-UHFFFAOYSA-N 1 2 469.659 3.046 20 0 JGADLO CO[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+]2CCOCC2)CC[C@@H]1C ZINC001300803769 1065535100 /nfs/dbraw/zinc/53/51/00/1065535100.db2.gz JTMRBCDBUUZMER-ARFHVFGLSA-N 1 2 484.464 3.351 20 0 JGADLO COCC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001300953428 1065757687 /nfs/dbraw/zinc/75/76/87/1065757687.db2.gz QQFTUXYGTOZVFB-NHCUHLMSSA-N 1 2 474.650 3.488 20 0 JGADLO COC[C@H](C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001300958976 1065766306 /nfs/dbraw/zinc/76/63/06/1065766306.db2.gz XMUAOQZFSAFSLH-QGZVFWFLSA-N 1 2 496.612 3.277 20 0 JGADLO COC[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001300969533 1065778313 /nfs/dbraw/zinc/77/83/13/1065778313.db2.gz WLVKUKZYIMVMRI-IRXDYDNUSA-N 1 2 459.545 3.123 20 0 JGADLO COC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)OC ZINC001301027987 1065866220 /nfs/dbraw/zinc/86/62/20/1065866220.db2.gz WJIVABJKZLDOOX-HXUWFJFHSA-N 1 2 471.005 3.207 20 0 JGADLO COC[C@H](Cn1c(N2CC[NH+](CCOc3ccccc3Cl)CC2)nnc1C(C)(C)C)OC ZINC001301032078 1065872818 /nfs/dbraw/zinc/87/28/18/1065872818.db2.gz AYDCQVMZMWKUNL-SFHVURJKSA-N 1 2 466.026 3.091 20 0 JGADLO COC[C@@H](F)Cn1c(-c2ccccn2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001301052646 1065901146 /nfs/dbraw/zinc/90/11/46/1065901146.db2.gz GJUDTWYVQRHGJW-AEFFLSMTSA-N 1 2 460.504 3.486 20 0 JGADLO COC[C@H](F)Cn1c(-c2ccccc2Br)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001301053914 1065903923 /nfs/dbraw/zinc/90/39/23/1065903923.db2.gz SSKULCBKZGYLIR-MRXNPFEDSA-N 1 2 475.366 3.414 20 0 JGADLO COC[C@@H](F)Cn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001301083561 1065934495 /nfs/dbraw/zinc/93/44/95/1065934495.db2.gz PVTWGUQWRICHNJ-IBGZPJMESA-N 1 2 474.606 3.237 20 0 JGADLO COCC1(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[NH+]2CCOCC2)CCCC1 ZINC001301107024 1065953824 /nfs/dbraw/zinc/95/38/24/1065953824.db2.gz JZXOGAQBISEESS-UHFFFAOYSA-N 1 2 495.466 3.401 20 0 JGADLO COCC1(Cn2c(-c3ccc(OC)cc3)nnc2N(C)CC[NH+]2CCOCC2)CCCCC1 ZINC001301130509 1065971239 /nfs/dbraw/zinc/97/12/39/1065971239.db2.gz AODBGZFRSJMANN-UHFFFAOYSA-N 1 2 457.619 3.319 20 0 JGADLO COCC1=CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001301179716 1066010889 /nfs/dbraw/zinc/01/08/89/1066010889.db2.gz BZFJPQMCUQGELE-UHFFFAOYSA-N 1 2 462.554 3.382 20 0 JGADLO CC(C)n1ncc(C(O)(C(F)(F)F)C(F)(F)F)c1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC001301213162 1066036436 /nfs/dbraw/zinc/03/64/36/1066036436.db2.gz DMKYOXOZZMGKKX-UHFFFAOYSA-N 1 2 453.387 3.485 20 0 JGADLO COC[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001301297426 1066103000 /nfs/dbraw/zinc/10/30/00/1066103000.db2.gz NXSZYCVTNPTKKH-RTBURBONSA-N 1 2 461.582 3.141 20 0 JGADLO COC[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001301297426 1066103002 /nfs/dbraw/zinc/10/30/02/1066103002.db2.gz NXSZYCVTNPTKKH-RTBURBONSA-N 1 2 461.582 3.141 20 0 JGADLO COC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001301400564 1066181313 /nfs/dbraw/zinc/18/13/13/1066181313.db2.gz XVKSRABFZCDHBQ-XLIONFOSSA-N 1 2 477.581 3.363 20 0 JGADLO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001301948061 1066241194 /nfs/dbraw/zinc/24/11/94/1066241194.db2.gz JWRUDQCCTLUUAY-OAQYLSRUSA-N 1 2 483.642 3.233 20 0 JGADLO COCCO[C@H](C)c1nnc(N(C)[C@@H]2CCOC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001301967008 1066271800 /nfs/dbraw/zinc/27/18/00/1066271800.db2.gz YCOAWRHPOZMAEO-TZIWHRDSSA-N 1 2 458.607 3.051 20 0 JGADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C3CCCC3)n2CCSCC(F)(F)F)CC1 ZINC001301983140 1066291374 /nfs/dbraw/zinc/29/13/74/1066291374.db2.gz XURKGZGWNRFFOL-KRWDZBQOSA-N 1 2 488.624 3.364 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001301984479 1066294683 /nfs/dbraw/zinc/29/46/83/1066294683.db2.gz PKPSDUWMOKKPDI-ZPFZUWPUSA-N 1 2 471.646 3.476 20 0 JGADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001301987631 1066302880 /nfs/dbraw/zinc/30/28/80/1066302880.db2.gz ASMVIXOLHKCJPA-MSOLQXFVSA-N 1 2 460.648 3.237 20 0 JGADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001301994394 1066320263 /nfs/dbraw/zinc/32/02/63/1066320263.db2.gz COKFQPZQKIRURB-ROUUACIJSA-N 1 2 462.664 3.168 20 0 JGADLO COCC[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c[nH+]ccc2OC)C1 ZINC001301507606 1066336910 /nfs/dbraw/zinc/33/69/10/1066336910.db2.gz SCFNOODPFMHLEG-KRWDZBQOSA-N 1 2 453.543 3.277 20 0 JGADLO COc1ccc(C(=O)N[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)c2ccccc2)cc1 ZINC001302002082 1066337013 /nfs/dbraw/zinc/33/70/13/1066337013.db2.gz BZBORDOARUAYQQ-JWQCQUIFSA-N 1 2 459.546 3.348 20 0 JGADLO C[C@H]([C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCCC2)[nH+]c1)S(C)(=O)=O ZINC001302004889 1066342311 /nfs/dbraw/zinc/34/23/11/1066342311.db2.gz XKLLVWQBJKUPDT-RBUKOAKNSA-N 1 2 474.675 3.312 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302012131 1066355629 /nfs/dbraw/zinc/35/56/29/1066355629.db2.gz YFXWTKKWTFWDKL-FPOVZHCZSA-N 1 2 472.634 3.154 20 0 JGADLO COCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001301551965 1066379449 /nfs/dbraw/zinc/37/94/49/1066379449.db2.gz KJWWDFVKWRWKMR-UHFFFAOYSA-N 1 2 478.395 3.081 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302025945 1066385371 /nfs/dbraw/zinc/38/53/71/1066385371.db2.gz DTVRLIXHJAOYGD-HNNXBMFYSA-N 1 2 462.422 3.012 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC(OC(C)C)CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001302030899 1066395941 /nfs/dbraw/zinc/39/59/41/1066395941.db2.gz ZABUBGUQCZCYDZ-PMACEKPBSA-N 1 2 460.623 3.478 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCc1nc(C)c(C)s1 ZINC001302040583 1066413445 /nfs/dbraw/zinc/41/34/45/1066413445.db2.gz CCEOJXKFPNEWCW-QGZVFWFLSA-N 1 2 485.658 3.342 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1ccccc1F ZINC001302043002 1066421458 /nfs/dbraw/zinc/42/14/58/1066421458.db2.gz LVKXCDHSIOYHSK-QGZVFWFLSA-N 1 2 454.550 3.213 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@H]1CCCSC1 ZINC001302044403 1066425325 /nfs/dbraw/zinc/42/53/25/1066425325.db2.gz VTICLERXAFUHMD-ROUUACIJSA-N 1 2 460.648 3.169 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC[C@](C)(OC)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001302051489 1066438078 /nfs/dbraw/zinc/43/80/78/1066438078.db2.gz GMULJULPPGQQSG-DVECYGJZSA-N 1 2 456.591 3.288 20 0 JGADLO CC(C)(C)c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302052854 1066442378 /nfs/dbraw/zinc/44/23/78/1066442378.db2.gz BATVLBVJCFKTND-QFIPXVFZSA-N 1 2 468.646 3.131 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(OC)CC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001302054140 1066446013 /nfs/dbraw/zinc/44/60/13/1066446013.db2.gz SNEVNSFNIWTCDE-CJFMBICVSA-N 1 2 472.634 3.441 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC[C@H](OC)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001302055069 1066448507 /nfs/dbraw/zinc/44/85/07/1066448507.db2.gz APOJNSUMMSRUGK-UNMCSNQZSA-N 1 2 472.634 3.297 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCCc3sccc3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302064211 1066463255 /nfs/dbraw/zinc/46/32/55/1066463255.db2.gz AQCRQLQJKHAICU-GOSISDBHSA-N 1 2 463.648 3.127 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCCc3sccc3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302064211 1066463263 /nfs/dbraw/zinc/46/32/63/1066463263.db2.gz AQCRQLQJKHAICU-GOSISDBHSA-N 1 2 463.648 3.127 20 0 JGADLO COCCCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001301638873 1066503110 /nfs/dbraw/zinc/50/31/10/1066503110.db2.gz XKEKNWBZJRIELZ-UHFFFAOYSA-N 1 2 454.550 3.155 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CC(C)(C)c1cccs1 ZINC001302083719 1066505901 /nfs/dbraw/zinc/50/59/01/1066505901.db2.gz IXLXINKIDUHZNZ-GOSISDBHSA-N 1 2 485.658 3.466 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCc1nc(C)c(C)s1 ZINC001302084638 1066508449 /nfs/dbraw/zinc/50/84/49/1066508449.db2.gz NFYPIAKDBWBMOP-SFHVURJKSA-N 1 2 471.631 3.040 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001302085601 1066509878 /nfs/dbraw/zinc/50/98/78/1066509878.db2.gz SZOFAGBVJHHOGJ-PKOBYXMFSA-N 1 2 477.679 3.205 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1Cc1occc1C ZINC001302089782 1066516705 /nfs/dbraw/zinc/51/67/05/1066516705.db2.gz RMAJMWDSNLWSAQ-IBGZPJMESA-N 1 2 457.550 3.413 20 0 JGADLO CC(C)(C)c1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1CCCNc1cccc[nH+]1 ZINC001302094922 1066524258 /nfs/dbraw/zinc/52/42/58/1066524258.db2.gz HJMAFPSROJQOJN-UHFFFAOYSA-N 1 2 494.619 3.373 20 0 JGADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301656630 1066525980 /nfs/dbraw/zinc/52/59/80/1066525980.db2.gz ZEPMHCJRBBBHCB-XQBPLPMBSA-N 1 2 490.599 3.058 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001302096757 1066527556 /nfs/dbraw/zinc/52/75/56/1066527556.db2.gz IPNGOTRMZYECOB-APWZRJJASA-N 1 2 480.491 3.004 20 0 JGADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CC=CCC2)CC1 ZINC001301662676 1066534776 /nfs/dbraw/zinc/53/47/76/1066534776.db2.gz YPEAVKGIFQEOPY-PKTZIBPZSA-N 1 2 480.657 3.273 20 0 JGADLO COCCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001301691763 1066579219 /nfs/dbraw/zinc/57/92/19/1066579219.db2.gz SBEYZEHIEHRXNO-UHFFFAOYSA-N 1 2 452.559 3.088 20 0 JGADLO COCCO[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2Cc2c[nH+]ccc2OC)C1 ZINC001302156473 1066611390 /nfs/dbraw/zinc/61/13/90/1066611390.db2.gz LDPURMDIAXVNLA-QFIPXVFZSA-N 1 2 451.571 3.261 20 0 JGADLO CC(C)(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001302173953 1066645800 /nfs/dbraw/zinc/64/58/00/1066645800.db2.gz MKJXEHYWGZYWBR-OAQYLSRUSA-N 1 2 476.616 3.155 20 0 JGADLO CC(C)(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001302173953 1066645808 /nfs/dbraw/zinc/64/58/08/1066645808.db2.gz MKJXEHYWGZYWBR-OAQYLSRUSA-N 1 2 476.616 3.155 20 0 JGADLO CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)[C@@H](C)C1 ZINC001301742781 1066665623 /nfs/dbraw/zinc/66/56/23/1066665623.db2.gz CRAFGZKNENPXTF-FQEVSTJZSA-N 1 2 453.635 3.213 20 0 JGADLO CC(C)(C)CCCn1c(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nnc1C(C)(C)C ZINC001302189415 1066668487 /nfs/dbraw/zinc/66/84/87/1066668487.db2.gz SQZRUDCAPFGUBP-UHFFFAOYSA-N 1 2 470.666 3.355 20 0 JGADLO CC(C)(C)CCCn1c(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nnc1C(C)(C)C ZINC001302189415 1066668492 /nfs/dbraw/zinc/66/84/92/1066668492.db2.gz SQZRUDCAPFGUBP-UHFFFAOYSA-N 1 2 470.666 3.355 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C(C)C)C2)CC1 ZINC001301762763 1066701945 /nfs/dbraw/zinc/70/19/45/1066701945.db2.gz BFMITTXSICCHPK-PZJWPPBQSA-N 1 2 472.609 3.204 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001301763358 1066703247 /nfs/dbraw/zinc/70/32/47/1066703247.db2.gz FIXINMMMRPTRRT-IRLDBZIGSA-N 1 2 498.672 3.203 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)Cc2ccccn2)CC1 ZINC001301763760 1066704310 /nfs/dbraw/zinc/70/43/10/1066704310.db2.gz JEYYBBWKLIFYHW-QFIPXVFZSA-N 1 2 491.640 3.230 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N(C)C2CCC2)CC1 ZINC001301763948 1066704407 /nfs/dbraw/zinc/70/44/07/1066704407.db2.gz KVXMFQRMWONCHK-FQEVSTJZSA-N 1 2 454.619 3.188 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001301767868 1066711207 /nfs/dbraw/zinc/71/12/07/1066711207.db2.gz YTBFCHGKILYKEA-GOSISDBHSA-N 1 2 467.039 3.035 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001301770608 1066714134 /nfs/dbraw/zinc/71/41/34/1066714134.db2.gz OVXZYADAUWUAMC-UHFFFAOYSA-N 1 2 458.657 3.101 20 0 JGADLO COCCN(CC(C)C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001301773151 1066717179 /nfs/dbraw/zinc/71/71/79/1066717179.db2.gz WDPSHVILBKLKOF-SFTDATJTSA-N 1 2 494.681 3.180 20 0 JGADLO COCCN(CC(C)C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001301773151 1066717188 /nfs/dbraw/zinc/71/71/88/1066717188.db2.gz WDPSHVILBKLKOF-SFTDATJTSA-N 1 2 494.681 3.180 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CSc3ccc(C)cc3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001301774931 1066720589 /nfs/dbraw/zinc/72/05/89/1066720589.db2.gz JSSZTODHBUSQER-PMACEKPBSA-N 1 2 456.660 3.135 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CCCc3ccccc3)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001301775145 1066721136 /nfs/dbraw/zinc/72/11/36/1066721136.db2.gz NUQQTPFVHSUWHV-YADHBBJMSA-N 1 2 452.647 3.242 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2cccs2)CC1 ZINC001301775463 1066721360 /nfs/dbraw/zinc/72/13/60/1066721360.db2.gz QKZPWQUNLRYCRU-UHFFFAOYSA-N 1 2 482.654 3.336 20 0 JGADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1ccc2ncc(I)n2c1 ZINC001301782358 1066731561 /nfs/dbraw/zinc/73/15/61/1066731561.db2.gz LSACEYOMLANHFT-UHFFFAOYSA-N 1 2 457.275 3.232 20 0 JGADLO C[C@@H]1Cn2nc(C(=O)NCCn3c[nH+]cc3-c3ccccc3)cc2CN1C(=O)OC(C)(C)C ZINC001301784477 1066732648 /nfs/dbraw/zinc/73/26/48/1066732648.db2.gz SKEZPCQKIFAKBF-QGZVFWFLSA-N 1 2 450.543 3.316 20 0 JGADLO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001301808779 1066763677 /nfs/dbraw/zinc/76/36/77/1066763677.db2.gz QRAFWTJMBPWRMP-UHFFFAOYSA-N 1 2 479.604 3.401 20 0 JGADLO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNc2cccc[nH+]2)C1 ZINC001302244297 1066773669 /nfs/dbraw/zinc/77/36/69/1066773669.db2.gz GFABGKGVSKVTQX-MOPGFXCFSA-N 1 2 471.606 3.173 20 0 JGADLO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301819795 1066781164 /nfs/dbraw/zinc/78/11/64/1066781164.db2.gz FPOOMTJMDIPKDB-SFHVURJKSA-N 1 2 453.978 3.213 20 0 JGADLO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001302254421 1066795914 /nfs/dbraw/zinc/79/59/14/1066795914.db2.gz RBRINGRQFOOMFD-FQEVSTJZSA-N 1 2 499.660 3.207 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001302258383 1066803730 /nfs/dbraw/zinc/80/37/30/1066803730.db2.gz AZZHONQTOZGGFU-RRPUWOKSSA-N 1 2 472.634 3.153 20 0 JGADLO COCCn1c(COc2ccc(Br)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001301841334 1066813244 /nfs/dbraw/zinc/81/32/44/1066813244.db2.gz PQGDJYFWIQZUHH-UHFFFAOYSA-N 1 2 487.402 3.290 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001301855558 1066835992 /nfs/dbraw/zinc/83/59/92/1066835992.db2.gz FBRRYPAWEHUVJT-FJIJXJHWSA-N 1 2 498.672 3.108 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001301855558 1066836000 /nfs/dbraw/zinc/83/60/00/1066836000.db2.gz FBRRYPAWEHUVJT-FJIJXJHWSA-N 1 2 498.672 3.108 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001301855560 1066836173 /nfs/dbraw/zinc/83/61/73/1066836173.db2.gz FBRRYPAWEHUVJT-SSPYTLHUSA-N 1 2 498.672 3.108 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001301855560 1066836179 /nfs/dbraw/zinc/83/61/79/1066836179.db2.gz FBRRYPAWEHUVJT-SSPYTLHUSA-N 1 2 498.672 3.108 20 0 JGADLO COCCn1cc(Cn2c(N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)nnc2C(C)(C)C)cn1 ZINC001301858858 1066841551 /nfs/dbraw/zinc/84/15/51/1066841551.db2.gz XKQDNBKKXQGRLK-UHFFFAOYSA-N 1 2 481.649 3.015 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301871860 1066866666 /nfs/dbraw/zinc/86/66/66/1066866666.db2.gz JEDXUIDGAQUQGX-IBGZPJMESA-N 1 2 498.031 3.372 20 0 JGADLO CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301873029 1066870477 /nfs/dbraw/zinc/87/04/77/1066870477.db2.gz RJNAKYJAOMXCNI-KJXAQDMKSA-N 1 2 483.661 3.059 20 0 JGADLO CON(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001302356888 1066949032 /nfs/dbraw/zinc/94/90/32/1066949032.db2.gz FGMSEZUGABJKKO-XMMPIXPASA-N 1 2 475.659 3.360 20 0 JGADLO CC(C)=CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001302371436 1066959444 /nfs/dbraw/zinc/95/94/44/1066959444.db2.gz OMLANCXSJGEZMW-UHFFFAOYSA-N 1 2 466.634 3.419 20 0 JGADLO COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C(C)(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001301932024 1066970091 /nfs/dbraw/zinc/97/00/91/1066970091.db2.gz VHIXWZGQJSNKFR-IRLDBZIGSA-N 1 2 497.688 3.377 20 0 JGADLO CC(C)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001302403721 1066984545 /nfs/dbraw/zinc/98/45/45/1066984545.db2.gz IVCMQANRFSHMNC-QFIPXVFZSA-N 1 2 497.594 3.150 20 0 JGADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc(C)o2)n1CC[N@H+]1CCOC[C@H]1C ZINC001301943788 1066994713 /nfs/dbraw/zinc/99/47/13/1066994713.db2.gz IEPGUKDORPBIRR-QGZVFWFLSA-N 1 2 486.642 3.080 20 0 JGADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc(C)o2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001301943788 1066994723 /nfs/dbraw/zinc/99/47/23/1066994723.db2.gz IEPGUKDORPBIRR-QGZVFWFLSA-N 1 2 486.642 3.080 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001302412284 1066997082 /nfs/dbraw/zinc/99/70/82/1066997082.db2.gz UEWNCVZFJRATPV-UTKZUKDTSA-N 1 2 498.582 3.057 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001302412282 1066997159 /nfs/dbraw/zinc/99/71/59/1066997159.db2.gz UEWNCVZFJRATPV-DYESRHJHSA-N 1 2 498.582 3.057 20 0 JGADLO CO[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCCc2cccc(C)[nH+]2)C[C@@H]1OC ZINC001302417683 1067000832 /nfs/dbraw/zinc/00/08/32/1067000832.db2.gz ABBDBEUCQGAZKW-ZRZAMGCNSA-N 1 2 451.571 3.352 20 0 JGADLO Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC[C@@H]2C)c1C ZINC001304015183 1067058421 /nfs/dbraw/zinc/05/84/21/1067058421.db2.gz XCLHBQIHZWNSNX-FQEVSTJZSA-N 1 2 468.646 3.423 20 0 JGADLO Cc1cccc(NC(=O)CN(C)c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC[C@@H]2C)c1C ZINC001304015183 1067058433 /nfs/dbraw/zinc/05/84/33/1067058433.db2.gz XCLHBQIHZWNSNX-FQEVSTJZSA-N 1 2 468.646 3.423 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CC2(CS(C)(=O)=O)CC2)c1C ZINC001304024727 1067070411 /nfs/dbraw/zinc/07/04/11/1067070411.db2.gz CXWWQVPXRAORJY-OAQYLSRUSA-N 1 2 489.686 3.390 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCS(C)(=O)=O)c1C ZINC001304025127 1067070770 /nfs/dbraw/zinc/07/07/70/1067070770.db2.gz FXUPMTWIGPLANB-FQEVSTJZSA-N 1 2 463.648 3.000 20 0 JGADLO Cc1nc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(N(C)C)[nH+]c3)C2)sc1C ZINC001304044105 1067086667 /nfs/dbraw/zinc/08/66/67/1067086667.db2.gz CIFJAYBVUWOWSL-IBGZPJMESA-N 1 2 482.658 3.383 20 0 JGADLO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001302514104 1067129456 /nfs/dbraw/zinc/12/94/56/1067129456.db2.gz NQXZJNRIGKFEFT-ROUUACIJSA-N 1 2 495.550 3.061 20 0 JGADLO Cc1ncsc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001304098316 1067141044 /nfs/dbraw/zinc/14/10/44/1067141044.db2.gz OOZXUNNQNURAQH-YVWKXTFCSA-N 1 2 462.664 3.319 20 0 JGADLO Cc1ncsc1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001304098316 1067141048 /nfs/dbraw/zinc/14/10/48/1067141048.db2.gz OOZXUNNQNURAQH-YVWKXTFCSA-N 1 2 462.664 3.319 20 0 JGADLO Cc1c(Cn2c(C(C)C)nnc2N2CC[NH+](CCOc3ccccc3Cl)CC2)cnn1C ZINC001304100936 1067142778 /nfs/dbraw/zinc/14/27/78/1067142778.db2.gz QUORCAWGJAFDIY-UHFFFAOYSA-N 1 2 458.010 3.346 20 0 JGADLO CS[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001302547712 1067183497 /nfs/dbraw/zinc/18/34/97/1067183497.db2.gz KKOVWUDZYRBSOX-MRXNPFEDSA-N 1 2 486.667 3.124 20 0 JGADLO CC(C)c1ncc(CN(C)c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)cn1 ZINC001302553087 1067190573 /nfs/dbraw/zinc/19/05/73/1067190573.db2.gz BDNDQAXFHABUEB-IBGZPJMESA-N 1 2 467.593 3.279 20 0 JGADLO CC(C)c1ncc(CN(C)c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)cn1 ZINC001302553087 1067190579 /nfs/dbraw/zinc/19/05/79/1067190579.db2.gz BDNDQAXFHABUEB-IBGZPJMESA-N 1 2 467.593 3.279 20 0 JGADLO CS[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001302558628 1067199215 /nfs/dbraw/zinc/19/92/15/1067199215.db2.gz PUMCXZGMTLMUKE-MSOLQXFVSA-N 1 2 492.640 3.032 20 0 JGADLO CS[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001302560227 1067200420 /nfs/dbraw/zinc/20/04/20/1067200420.db2.gz BZWFXQUHMWHYJC-NHCUHLMSSA-N 1 2 470.687 3.062 20 0 JGADLO CC(C)c1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302566788 1067206361 /nfs/dbraw/zinc/20/63/61/1067206361.db2.gz DKIZTDRJNTUNOP-CBQMWWCCSA-N 1 2 476.666 3.489 20 0 JGADLO Cc1cc(C)c(Cn2c(CNC(=O)c3cccs3)nnc2N(C)CC[NH+]2CCOCC2)c(C)c1 ZINC001304162146 1067208778 /nfs/dbraw/zinc/20/87/78/1067208778.db2.gz BKHCJNAZWAPUQH-UHFFFAOYSA-N 1 2 482.654 3.012 20 0 JGADLO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCCc1cnn(C)c1 ZINC001302573924 1067213348 /nfs/dbraw/zinc/21/33/48/1067213348.db2.gz VWUIBKOIJYLRLW-FQEVSTJZSA-N 1 2 457.648 3.339 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CCc2cc(C)cc(C)c2)cs1 ZINC001304166705 1067213356 /nfs/dbraw/zinc/21/33/56/1067213356.db2.gz FYGJSPFVKIPWSN-UHFFFAOYSA-N 1 2 454.644 3.262 20 0 JGADLO CS[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302578198 1067216340 /nfs/dbraw/zinc/21/63/40/1067216340.db2.gz LRCRGZBQFKQKKX-ICSRJNTNSA-N 1 2 473.691 3.184 20 0 JGADLO Cc1cc(Cn2c(CC(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)cs1 ZINC001304221490 1067261779 /nfs/dbraw/zinc/26/17/79/1067261779.db2.gz JNGNOFXQABYGAH-JOCHJYFZSA-N 1 2 460.692 3.126 20 0 JGADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCOCC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001304231800 1067268940 /nfs/dbraw/zinc/26/89/40/1067268940.db2.gz AQZRGCSKDKBVEZ-FQEVSTJZSA-N 1 2 478.037 3.199 20 0 JGADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCOCC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001304231800 1067268948 /nfs/dbraw/zinc/26/89/48/1067268948.db2.gz AQZRGCSKDKBVEZ-FQEVSTJZSA-N 1 2 478.037 3.199 20 0 JGADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001304233500 1067272268 /nfs/dbraw/zinc/27/22/68/1067272268.db2.gz FTQGKKIUZGPLGG-CBQOVEMMSA-N 1 2 492.064 3.179 20 0 JGADLO Cc1cc(N2CCN(c3nnc(-c4cnccn4)n3CCOC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245600 1067281096 /nfs/dbraw/zinc/28/10/96/1067281096.db2.gz NMOLCNCOUYKRME-UHFFFAOYSA-N 1 2 465.606 3.099 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC001304245887 1067281149 /nfs/dbraw/zinc/28/11/49/1067281149.db2.gz RGAYSAHIEPHPLA-UHFFFAOYSA-N 1 2 462.602 3.013 20 0 JGADLO CC(C)c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001302654611 1067282989 /nfs/dbraw/zinc/28/29/89/1067282989.db2.gz KBWSJQVOWSUWKV-IBGZPJMESA-N 1 2 462.639 3.007 20 0 JGADLO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302674253 1067299944 /nfs/dbraw/zinc/29/99/44/1067299944.db2.gz NSUIERADPHKBSZ-IBGZPJMESA-N 1 2 485.633 3.127 20 0 JGADLO CS[C@@H]1CCCCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001302676485 1067302120 /nfs/dbraw/zinc/30/21/20/1067302120.db2.gz DLPKVQQOQDHZJW-RTBURBONSA-N 1 2 463.623 3.439 20 0 JGADLO Cc1ccc([C@H](Cn2c(-c3cnccn3)nnc2N(C)CCC(F)F)[NH+]2CCOCC2)cc1 ZINC001304272218 1067308122 /nfs/dbraw/zinc/30/81/22/1067308122.db2.gz FQCMCRXYFYPTKJ-FQEVSTJZSA-N 1 2 457.529 3.208 20 0 JGADLO Cc1ccc([C@H](Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)NC(C)(C)C)[NH+]2CCOCC2)cc1 ZINC001304276417 1067314922 /nfs/dbraw/zinc/31/49/22/1067314922.db2.gz TXXSAECSPYYBRC-QFIPXVFZSA-N 1 2 479.629 3.006 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@]1(O)CCSC1 ZINC001302697282 1067322470 /nfs/dbraw/zinc/32/24/70/1067322470.db2.gz BEEAMTATWZETOR-JOCHJYFZSA-N 1 2 466.051 3.124 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001302721774 1067337184 /nfs/dbraw/zinc/33/71/84/1067337184.db2.gz DMPGIHDFNRGPFT-ILWGZMRPSA-N 1 2 486.686 3.189 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001304291483 1067339164 /nfs/dbraw/zinc/33/91/64/1067339164.db2.gz MWYIEKJVTJUMDA-GMAHTHKFSA-N 1 2 471.646 3.446 20 0 JGADLO CSCC[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302724289 1067340007 /nfs/dbraw/zinc/34/00/07/1067340007.db2.gz DGSPVAHRFOCUAE-NQIIRXRSSA-N 1 2 475.659 3.479 20 0 JGADLO CSCC[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[N@H+]1CCOCC1(C)C ZINC001302724289 1067340019 /nfs/dbraw/zinc/34/00/19/1067340019.db2.gz DGSPVAHRFOCUAE-NQIIRXRSSA-N 1 2 475.659 3.479 20 0 JGADLO CSCC[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302727837 1067343893 /nfs/dbraw/zinc/34/38/93/1067343893.db2.gz UHPZBOJOHMTNIC-SJORKVTESA-N 1 2 453.603 3.446 20 0 JGADLO CC(C)[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001302730162 1067344986 /nfs/dbraw/zinc/34/49/86/1067344986.db2.gz IVDVKUAYALYRGF-LEWJYISDSA-N 1 2 477.650 3.324 20 0 JGADLO CC(C)[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001302730162 1067344997 /nfs/dbraw/zinc/34/49/97/1067344997.db2.gz IVDVKUAYALYRGF-LEWJYISDSA-N 1 2 477.650 3.324 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001302731900 1067346090 /nfs/dbraw/zinc/34/60/90/1067346090.db2.gz OGZBLWCOFHHXCK-FPOVZHCZSA-N 1 2 498.701 3.386 20 0 JGADLO Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001304320672 1067367748 /nfs/dbraw/zinc/36/77/48/1067367748.db2.gz LJOUUXAXKGEZJM-LJQANCHMSA-N 1 2 451.575 3.097 20 0 JGADLO CSCCCCn1c(N2CCN(c3cccc[nH+]3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001302774301 1067372306 /nfs/dbraw/zinc/37/23/06/1067372306.db2.gz SNXRXOPZXWOBFF-HSZRJFAPSA-N 1 2 460.648 3.184 20 0 JGADLO Cc1ccc(-c2nnc(N3CC[NH+](C[C@H](O)c4ccccc4)CC3)n2CC[S@@](=O)C(C)(C)C)o1 ZINC001304324657 1067373062 /nfs/dbraw/zinc/37/30/62/1067373062.db2.gz QRPBIYWMBBVDJL-ZCWHBTPQSA-N 1 2 485.654 3.249 20 0 JGADLO CC(C)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCS1 ZINC001302779009 1067374825 /nfs/dbraw/zinc/37/48/25/1067374825.db2.gz LYWMMLFTRVDSMI-TYPHKJRUSA-N 1 2 495.690 3.200 20 0 JGADLO Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)s1 ZINC001304337472 1067383283 /nfs/dbraw/zinc/38/32/83/1067383283.db2.gz FSGKGJNXRANLKQ-FQEVSTJZSA-N 1 2 483.642 3.289 20 0 JGADLO CSCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001302800206 1067389465 /nfs/dbraw/zinc/38/94/65/1067389465.db2.gz BBIKUWIBSQIEFE-UHFFFAOYSA-N 1 2 495.657 3.227 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)ccc1F)CCC2 ZINC001304364169 1067403022 /nfs/dbraw/zinc/40/30/22/1067403022.db2.gz DZFAXTKNDKCATO-ROUUACIJSA-N 1 2 489.621 3.055 20 0 JGADLO Cc1ccc(CSCCn2c([C@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001304366203 1067405807 /nfs/dbraw/zinc/40/58/07/1067405807.db2.gz DQOWLFWQBFRJBH-QFIPXVFZSA-N 1 2 459.660 3.182 20 0 JGADLO Cc1ccc(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001304368040 1067408487 /nfs/dbraw/zinc/40/84/87/1067408487.db2.gz SYZMGINSYJYJEI-QFIPXVFZSA-N 1 2 484.645 3.475 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2CC2CC(C)(C)C2)cc1C ZINC001304375558 1067415725 /nfs/dbraw/zinc/41/57/25/1067415725.db2.gz NHYQAWGNIBJKRK-UHFFFAOYSA-N 1 2 454.619 3.352 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@]2(C)CCCS2)cc1C ZINC001304376453 1067418122 /nfs/dbraw/zinc/41/81/22/1067418122.db2.gz YHOMVMAUDKAXTE-XMMPIXPASA-N 1 2 472.659 3.201 20 0 JGADLO CC(C)Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCC(=O)NC(C)(C)C ZINC001302839201 1067425898 /nfs/dbraw/zinc/42/58/98/1067425898.db2.gz BPLNLYULTPDTCV-IBGZPJMESA-N 1 2 476.691 3.353 20 0 JGADLO C[C@@H]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H]1O ZINC001302839899 1067426530 /nfs/dbraw/zinc/42/65/30/1067426530.db2.gz WDBBPZRUVWNHAZ-HIFRSBDPSA-N 1 2 477.432 3.486 20 0 JGADLO CC(C)Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CC(=O)NC1CCCCC1 ZINC001302840864 1067427428 /nfs/dbraw/zinc/42/74/28/1067427428.db2.gz ZXLLEANSCBVAPG-OAQYLSRUSA-N 1 2 488.702 3.497 20 0 JGADLO CCOC(=O)CS[C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C(F)(F)F ZINC001302852770 1067437595 /nfs/dbraw/zinc/43/75/95/1067437595.db2.gz FOXUYJHCWNSXGU-WBVHZDCISA-N 1 2 450.548 3.120 20 0 JGADLO CC(C)Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001302874822 1067457962 /nfs/dbraw/zinc/45/79/62/1067457962.db2.gz CHDYPNNDWMDYNV-GOSISDBHSA-N 1 2 475.519 3.215 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CSCCS2)cc1C ZINC001304402893 1067464701 /nfs/dbraw/zinc/46/47/01/1067464701.db2.gz BDBXIYKRQFFPSL-OAQYLSRUSA-N 1 2 477.700 3.091 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CC(C)(C)c2ccccn2)cc1 ZINC001304404321 1067466713 /nfs/dbraw/zinc/46/67/13/1067466713.db2.gz PINGLPPKRQOYQR-UHFFFAOYSA-N 1 2 464.614 3.307 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(COc4ccc(C)cc4)n3CCC(=O)NC(C)(C)C)CC2)on1 ZINC001304421419 1067497178 /nfs/dbraw/zinc/49/71/78/1067497178.db2.gz ZIPQGTZZLALESZ-UHFFFAOYSA-N 1 2 495.628 3.089 20 0 JGADLO Cc1ccc(SCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001304436749 1067515257 /nfs/dbraw/zinc/51/52/57/1067515257.db2.gz AWUAHMATQSWKOC-FQEVSTJZSA-N 1 2 486.667 3.011 20 0 JGADLO Cc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CCN(CC(C)C)C(=O)C2)[NH+]2CCOCC2)c1 ZINC001304442109 1067522996 /nfs/dbraw/zinc/52/29/96/1067522996.db2.gz GZGHYWSCFXZTSY-DEOSSOPVSA-N 1 2 482.673 3.163 20 0 JGADLO FC(F)COCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001302952992 1067525213 /nfs/dbraw/zinc/52/52/13/1067525213.db2.gz OUFGQMIZYTWEFC-SFHVURJKSA-N 1 2 469.964 3.429 20 0 JGADLO CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCS(=O)(=O)CC1CC1 ZINC001302964940 1067535019 /nfs/dbraw/zinc/53/50/19/1067535019.db2.gz KRWSWUWARZOUFH-HXUWFJFHSA-N 1 2 459.660 3.012 20 0 JGADLO CC(C)Cc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1CCS(=O)(=O)CC1CC1 ZINC001302964940 1067535026 /nfs/dbraw/zinc/53/50/26/1067535026.db2.gz KRWSWUWARZOUFH-HXUWFJFHSA-N 1 2 459.660 3.012 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@@]1(O)CCSC1 ZINC001302965441 1067535355 /nfs/dbraw/zinc/53/53/55/1067535355.db2.gz CXANWZHPPGIEIK-QHCPKHFHSA-N 1 2 480.078 3.199 20 0 JGADLO CN(CCCNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1)c1cccc[nH+]1 ZINC001302974823 1067541314 /nfs/dbraw/zinc/54/13/14/1067541314.db2.gz JAOBOTGIKJNDMA-UHFFFAOYSA-N 1 2 454.390 3.041 20 0 JGADLO Fc1ccccc1OCc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCCOC(F)F ZINC001302978790 1067544277 /nfs/dbraw/zinc/54/42/77/1067544277.db2.gz UETHAQMQZDYLPJ-UHFFFAOYSA-N 1 2 462.476 3.347 20 0 JGADLO Cc1cccc(-c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CCSC(F)(F)F)n1 ZINC001304479470 1067558614 /nfs/dbraw/zinc/55/86/14/1067558614.db2.gz YWJXYESRMGVFTH-UHFFFAOYSA-N 1 2 464.521 3.327 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[nH+]1 ZINC001304481677 1067561272 /nfs/dbraw/zinc/56/12/72/1067561272.db2.gz GMIKMNFUOJZZOO-LJQANCHMSA-N 1 2 485.633 3.198 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)[nH+]1 ZINC001304481954 1067561326 /nfs/dbraw/zinc/56/13/26/1067561326.db2.gz ITWQMKZVKZAQNH-FQEVSTJZSA-N 1 2 475.597 3.150 20 0 JGADLO Cc1cccc(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C)(NC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC001304487481 1067565981 /nfs/dbraw/zinc/56/59/81/1067565981.db2.gz ZNZJAJDBWHCLDL-HXUWFJFHSA-N 1 2 497.644 3.449 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(=O)N(C)[C@H](C)C2)[nH+]1 ZINC001304488191 1067566668 /nfs/dbraw/zinc/56/66/68/1067566668.db2.gz CCGMBPXKUVOHTM-CTNGQTDRSA-N 1 2 497.644 3.353 20 0 JGADLO Cc1cccc(CCCn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)[nH+]1 ZINC001304488314 1067566789 /nfs/dbraw/zinc/56/67/89/1067566789.db2.gz FSMQRXZBARUGKW-HSZRJFAPSA-N 1 2 483.638 3.249 20 0 JGADLO Cc1ccccc1-c1nnc(N(C)CCCCCO)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001304524674 1067598187 /nfs/dbraw/zinc/59/81/87/1067598187.db2.gz BTOGRQIWOUJDLI-UHFFFAOYSA-N 1 2 450.587 3.132 20 0 JGADLO Cc1ccccc1-c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCOC(C)(C)C ZINC001304538611 1067610202 /nfs/dbraw/zinc/61/02/02/1067610202.db2.gz YXKAMUSAZYSLCP-NRFANRHFSA-N 1 2 468.646 3.202 20 0 JGADLO Cc1ccccc1CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001304543400 1067614131 /nfs/dbraw/zinc/61/41/31/1067614131.db2.gz PDHMQVWYONCCIQ-UHFFFAOYSA-N 1 2 475.641 3.186 20 0 JGADLO Cc1ccccc1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304567708 1067636278 /nfs/dbraw/zinc/63/62/78/1067636278.db2.gz XZDJMQHCZBXXKA-SANMLTNESA-N 1 2 471.646 3.374 20 0 JGADLO Cc1ccccc1C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001304569761 1067637377 /nfs/dbraw/zinc/63/73/77/1067637377.db2.gz BBXJDTXYERMIPE-UHFFFAOYSA-N 1 2 482.654 3.184 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCC=C(C)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001304584580 1067653726 /nfs/dbraw/zinc/65/37/26/1067653726.db2.gz LXNRBGOJZCOWPI-UHFFFAOYSA-N 1 2 452.603 3.414 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCC=C(C)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001304584580 1067653730 /nfs/dbraw/zinc/65/37/30/1067653730.db2.gz LXNRBGOJZCOWPI-UHFFFAOYSA-N 1 2 452.603 3.414 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1)CCC2 ZINC001304607150 1067673687 /nfs/dbraw/zinc/67/36/87/1067673687.db2.gz UEBZMZYPWFFFBG-HOTGVXAUSA-N 1 2 453.513 3.278 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1cccs1)CCC2 ZINC001304607427 1067674726 /nfs/dbraw/zinc/67/47/26/1067674726.db2.gz ZMHRUZYSJIQVBX-ULQDDVLXSA-N 1 2 477.660 3.230 20 0 JGADLO CC(C)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1)C(C)C ZINC001303147742 1067686189 /nfs/dbraw/zinc/68/61/89/1067686189.db2.gz XOJLCTZZHOHQLE-HXUWFJFHSA-N 1 2 491.706 3.439 20 0 JGADLO Cc1nc(C)c(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304639274 1067707354 /nfs/dbraw/zinc/70/73/54/1067707354.db2.gz MGPOOXYMFLKMHL-UHFFFAOYSA-N 1 2 497.669 3.232 20 0 JGADLO CC(C)COC(=O)N1CCCN(c2nnc(CC3CC3)n2CCCNc2cccc[nH+]2)CC1 ZINC001303216885 1067754510 /nfs/dbraw/zinc/75/45/10/1067754510.db2.gz XGCVZERXCANYMN-UHFFFAOYSA-N 1 2 455.607 3.433 20 0 JGADLO CC(C)CO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001303228885 1067764019 /nfs/dbraw/zinc/76/40/19/1067764019.db2.gz RQCRVYOEUKODTA-NRFANRHFSA-N 1 2 456.635 3.398 20 0 JGADLO CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001303235648 1067767609 /nfs/dbraw/zinc/76/76/09/1067767609.db2.gz KWQNXKXUJDGBLV-SIKLNZKXSA-N 1 2 478.037 3.483 20 0 JGADLO Cc1ncc(Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304698679 1067768817 /nfs/dbraw/zinc/76/88/17/1067768817.db2.gz SMWVONRQTNQNLM-UHFFFAOYSA-N 1 2 495.422 3.428 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3CCCN(C)CC(F)(F)F)CC2)s1 ZINC001304700359 1067770635 /nfs/dbraw/zinc/77/06/35/1067770635.db2.gz PCJJILGOQRNEIO-UHFFFAOYSA-N 1 2 482.580 3.245 20 0 JGADLO Cc1nc(N2CCN(c3nnc(C(C)(C)C)n3Cc3nnc(C(C)(C)C)s3)CC2)cc[nH+]1 ZINC001304700505 1067771468 /nfs/dbraw/zinc/77/14/68/1067771468.db2.gz SWIGZSZSUJXVKD-UHFFFAOYSA-N 1 2 455.636 3.198 20 0 JGADLO Cc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCc1cc(Br)ccc1F ZINC001304701229 1067771909 /nfs/dbraw/zinc/77/19/09/1067771909.db2.gz BLEUGEXUGQGXBG-UHFFFAOYSA-N 1 2 460.355 3.156 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CCCc4ccccc4)n3CC[S@](=O)C(C)(C)C)CC2)cc[nH+]1 ZINC001304701424 1067772281 /nfs/dbraw/zinc/77/22/81/1067772281.db2.gz FKTMLYKKJYTIIB-DHUJRADRSA-N 1 2 495.697 3.426 20 0 JGADLO Cc1nc(N2CCN(c3nnc(-c4ccc(Br)cc4)n3CCC(C)(C)O)CC2)cc[nH+]1 ZINC001304702271 1067773522 /nfs/dbraw/zinc/77/35/22/1067773522.db2.gz SPDNQDBQVTYQAU-UHFFFAOYSA-N 1 2 486.418 3.294 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CC4CCCC4)n3CCCN(C)CC(F)(F)F)CC2)cc[nH+]1 ZINC001304702545 1067774639 /nfs/dbraw/zinc/77/46/39/1067774639.db2.gz TYHQAXGVGQORJV-UHFFFAOYSA-N 1 2 480.583 3.320 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CC(C)C)n3C[C@@](C)(O)c3ccccc3Cl)CC2)cc[nH+]1 ZINC001304702548 1067774707 /nfs/dbraw/zinc/77/47/07/1067774707.db2.gz TZYJTRKKDZDZNS-XMMPIXPASA-N 1 2 470.021 3.463 20 0 JGADLO Cc1nc(N2CCN(c3nnc(-c4ccccc4F)n3CCN(C)CC(F)(F)F)CC2)cc[nH+]1 ZINC001304702539 1067774723 /nfs/dbraw/zinc/77/47/23/1067774723.db2.gz TVZCRLHXWJXOIV-UHFFFAOYSA-N 1 2 478.498 3.003 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CCc4ccccc4)n3CC[S@@](=O)C(C)(C)C)CC2)cc[nH+]1 ZINC001304702739 1067775097 /nfs/dbraw/zinc/77/50/97/1067775097.db2.gz XNLAMGWCULDISF-UUWRZZSWSA-N 1 2 481.670 3.036 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)n1 ZINC001304735792 1067810082 /nfs/dbraw/zinc/81/00/82/1067810082.db2.gz KVOPHYFJKFUIAN-UXHICEINSA-N 1 2 455.582 3.197 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)n1 ZINC001304735792 1067810085 /nfs/dbraw/zinc/81/00/85/1067810085.db2.gz KVOPHYFJKFUIAN-UXHICEINSA-N 1 2 455.582 3.197 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3cc(F)ccc3F)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001304736455 1067810752 /nfs/dbraw/zinc/81/07/52/1067810752.db2.gz KYEGQTVFOSSISP-RBUKOAKNSA-N 1 2 473.572 3.336 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)c3cc(F)ccc3F)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001304736454 1067810863 /nfs/dbraw/zinc/81/08/63/1067810863.db2.gz KYEGQTVFOSSISP-OALUTQOASA-N 1 2 473.572 3.336 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(OC(F)F)cc3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001304744182 1067822669 /nfs/dbraw/zinc/82/26/69/1067822669.db2.gz WGWOWPCUXUVJLZ-IBGZPJMESA-N 1 2 489.571 3.098 20 0 JGADLO CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001303312097 1067841474 /nfs/dbraw/zinc/84/14/74/1067841474.db2.gz YRMLONGVJATNMY-QGZVFWFLSA-N 1 2 452.024 3.096 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(Cc4cccnc4)n3CCCC(C)(C)C)CC2)C1 ZINC001303317945 1067848186 /nfs/dbraw/zinc/84/81/86/1067848186.db2.gz FZOMMWQISIOMQZ-XMMPIXPASA-N 1 2 483.705 3.321 20 0 JGADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(F)(F)F)CC2)C1 ZINC001303318163 1067848528 /nfs/dbraw/zinc/84/85/28/1067848528.db2.gz JQNWVDOQBQCJOP-IBGZPJMESA-N 1 2 486.970 3.392 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001303323634 1067852055 /nfs/dbraw/zinc/85/20/55/1067852055.db2.gz GELWORQNIKMCJO-UTKZUKDTSA-N 1 2 478.588 3.249 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCSC2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001303329422 1067857829 /nfs/dbraw/zinc/85/78/29/1067857829.db2.gz BJUZJJUAXGWSAR-BBWFWOEESA-N 1 2 466.652 3.032 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@@H]2CCSC2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001303329422 1067857831 /nfs/dbraw/zinc/85/78/31/1067857831.db2.gz BJUZJJUAXGWSAR-BBWFWOEESA-N 1 2 466.652 3.032 20 0 JGADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC001303337541 1067867429 /nfs/dbraw/zinc/86/74/29/1067867429.db2.gz AQWQECVMKAOSNG-HXUWFJFHSA-N 1 2 451.596 3.253 20 0 JGADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC001303337541 1067867441 /nfs/dbraw/zinc/86/74/41/1067867441.db2.gz AQWQECVMKAOSNG-HXUWFJFHSA-N 1 2 451.596 3.253 20 0 JGADLO CC(C)NC(=O)c1nnc(N(Cc2ccccc2)C[C@@H]2CCCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303343431 1067871943 /nfs/dbraw/zinc/87/19/43/1067871943.db2.gz LRUSHJKBZROJFE-QFIPXVFZSA-N 1 2 477.613 3.111 20 0 JGADLO Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001304822353 1067892700 /nfs/dbraw/zinc/89/27/00/1067892700.db2.gz DNYNLBMZGMFOAE-HXUWFJFHSA-N 1 2 455.607 3.466 20 0 JGADLO Cc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001304837556 1067897846 /nfs/dbraw/zinc/89/78/46/1067897846.db2.gz BIYDQUHMKGVMPZ-FQEVSTJZSA-N 1 2 455.607 3.466 20 0 JGADLO Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001304861916 1067910846 /nfs/dbraw/zinc/91/08/46/1067910846.db2.gz YZYVSSSBTNGTLZ-UHFFFAOYSA-N 1 2 475.037 3.090 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3Cc3cccc(C(C)(C)O)c3)CC2)on1 ZINC001304900603 1067943988 /nfs/dbraw/zinc/94/39/88/1067943988.db2.gz RHOLALSRRQDYSC-UHFFFAOYSA-N 1 2 452.603 3.371 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCC(=O)N3CCCCCC3)CC2)on1 ZINC001304900552 1067944038 /nfs/dbraw/zinc/94/40/38/1067944038.db2.gz QKDQCGJCJZFZFA-UHFFFAOYSA-N 1 2 471.650 3.278 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(CC4CCCC4)n3CCNC(=O)OC(C)(C)C)CC2)on1 ZINC001304901720 1067945236 /nfs/dbraw/zinc/94/52/36/1067945236.db2.gz JNXMPROHTYDCMB-UHFFFAOYSA-N 1 2 473.622 3.154 20 0 JGADLO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Br)c2)n1CCCNc1cccc[nH+]1 ZINC001304903486 1067948050 /nfs/dbraw/zinc/94/80/50/1067948050.db2.gz PTNTULZTQSHSOV-MRXNPFEDSA-N 1 2 484.402 3.272 20 0 JGADLO C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001304920620 1067962278 /nfs/dbraw/zinc/96/22/78/1067962278.db2.gz TYBJZDOYPBITPT-QZTJIDSGSA-N 1 2 468.627 3.340 20 0 JGADLO CC(C)NC(=O)CN(C)c1nnc(Cc2ccccc2F)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001303440438 1067962917 /nfs/dbraw/zinc/96/29/17/1067962917.db2.gz CNWBTQHLLHFQAT-UHFFFAOYSA-N 1 2 479.604 3.402 20 0 JGADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)C(F)(F)F)CC1 ZINC001305015527 1068058220 /nfs/dbraw/zinc/05/82/20/1068058220.db2.gz HLLLIKCJQKUTJP-GOSISDBHSA-N 1 2 495.594 3.395 20 0 JGADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)C(F)(F)F)CC1 ZINC001305015529 1068058629 /nfs/dbraw/zinc/05/86/29/1068058629.db2.gz HLLLIKCJQKUTJP-SFHVURJKSA-N 1 2 495.594 3.395 20 0 JGADLO C[C@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCNc2cccc[nH+]2)C1 ZINC001305035958 1068091865 /nfs/dbraw/zinc/09/18/65/1068091865.db2.gz NWKYFZAMNSVALC-IBGZPJMESA-N 1 2 483.642 3.329 20 0 JGADLO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCOCC2)CC1 ZINC001303569903 1068093257 /nfs/dbraw/zinc/09/32/57/1068093257.db2.gz JPRSIUDLZLXCJO-UHFFFAOYSA-N 1 2 495.043 3.007 20 0 JGADLO C[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001305039248 1068094173 /nfs/dbraw/zinc/09/41/73/1068094173.db2.gz MKLCJDSANFIBOQ-ICSRJNTNSA-N 1 2 463.623 3.078 20 0 JGADLO C[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001305039248 1068094183 /nfs/dbraw/zinc/09/41/83/1068094183.db2.gz MKLCJDSANFIBOQ-ICSRJNTNSA-N 1 2 463.623 3.078 20 0 JGADLO C[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305042584 1068098525 /nfs/dbraw/zinc/09/85/25/1068098525.db2.gz IUPQLEVRJCXUOS-WCIQWLHISA-N 1 2 462.639 3.006 20 0 JGADLO C[C@H]1CCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305046668 1068104475 /nfs/dbraw/zinc/10/44/75/1068104475.db2.gz BEIQXGXIXKGHDW-INIZCTEOSA-N 1 2 453.978 3.360 20 0 JGADLO C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001303603261 1068134770 /nfs/dbraw/zinc/13/47/70/1068134770.db2.gz RNGBEIQCFDHFEN-PBEJRMEISA-N 1 2 489.667 3.448 20 0 JGADLO C[C@H](CC(N)=O)N(C)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305065042 1068136840 /nfs/dbraw/zinc/13/68/40/1068136840.db2.gz FNKFTTDKFXIRNN-GOSISDBHSA-N 1 2 467.643 3.310 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C)CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305067856 1068141196 /nfs/dbraw/zinc/14/11/96/1068141196.db2.gz WBLHHUIQJMNCBO-AZUAARDMSA-N 1 2 489.690 3.194 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)[C@H]1C ZINC001305087095 1068157208 /nfs/dbraw/zinc/15/72/08/1068157208.db2.gz POCGNIDYWCATJC-IVAOSVALSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)[C@H]1C ZINC001305087095 1068157214 /nfs/dbraw/zinc/15/72/14/1068157214.db2.gz POCGNIDYWCATJC-IVAOSVALSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)[C@@H]1C ZINC001305091499 1068160173 /nfs/dbraw/zinc/16/01/73/1068160173.db2.gz JZIYFSFOYOUYNJ-HSALFYBXSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)[C@@H]1C ZINC001305091499 1068160176 /nfs/dbraw/zinc/16/01/76/1068160176.db2.gz JZIYFSFOYOUYNJ-HSALFYBXSA-N 1 2 476.666 3.348 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@@H]1C ZINC001305095976 1068162815 /nfs/dbraw/zinc/16/28/15/1068162815.db2.gz RKJJDBGVPBGLLW-FKPGQJDZSA-N 1 2 463.623 3.105 20 0 JGADLO C[C@@H]1CN(c2ccc(Cn3c(N4CC[C@H](NC(=O)OC(C)(C)C)C4)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001305121578 1068204551 /nfs/dbraw/zinc/20/45/51/1068204551.db2.gz JUDDTWIIXNFKEH-QUCCMNQESA-N 1 2 499.660 3.347 20 0 JGADLO CC(C)c1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305122822 1068206394 /nfs/dbraw/zinc/20/63/94/1068206394.db2.gz QOXIDYSAQMLWEV-NUJGCVRESA-N 1 2 468.524 3.226 20 0 JGADLO C[C@@H]1CN(c2ccc(Cn3c(CC4CCCC4)nnc3N(C)CC(=O)NC(C)(C)C)c[nH+]2)CCO1 ZINC001305123244 1068207748 /nfs/dbraw/zinc/20/77/48/1068207748.db2.gz UVARQTAZXCDMBN-LJQANCHMSA-N 1 2 483.661 3.030 20 0 JGADLO C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001303673481 1068210456 /nfs/dbraw/zinc/21/04/56/1068210456.db2.gz CDSMQUSXORBHFR-ICSRJNTNSA-N 1 2 499.660 3.309 20 0 JGADLO C[C@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001303674251 1068211933 /nfs/dbraw/zinc/21/19/33/1068211933.db2.gz LITWJZZLGSXXQE-HXUWFJFHSA-N 1 2 477.613 3.276 20 0 JGADLO C[C@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC001303674251 1068211944 /nfs/dbraw/zinc/21/19/44/1068211944.db2.gz LITWJZZLGSXXQE-HXUWFJFHSA-N 1 2 477.613 3.276 20 0 JGADLO C[C@@H](Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305139526 1068232716 /nfs/dbraw/zinc/23/27/16/1068232716.db2.gz RGBKVFWGNVPBRN-OKYOBFRVSA-N 1 2 464.010 3.406 20 0 JGADLO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)OC1CCCC1)[NH+]1CCOCC1 ZINC001303692309 1068233511 /nfs/dbraw/zinc/23/35/11/1068233511.db2.gz UTANHPFNQZMIMA-OAHLLOKOSA-N 1 2 467.412 3.077 20 0 JGADLO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCOC(C)(C)C1)[NH+]1CCOCC1 ZINC001303693625 1068236384 /nfs/dbraw/zinc/23/63/84/1068236384.db2.gz ANQZETUNQYYTJB-CQSZACIVSA-N 1 2 470.437 3.105 20 0 JGADLO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC001303695409 1068238269 /nfs/dbraw/zinc/23/82/69/1068238269.db2.gz IORWQLICYBQMJN-GJZGRUSLSA-N 1 2 484.464 3.494 20 0 JGADLO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303714476 1068261192 /nfs/dbraw/zinc/26/11/92/1068261192.db2.gz WONXADQWQPFLNU-RBUKOAKNSA-N 1 2 462.639 3.007 20 0 JGADLO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)[NH+]1CCOCC1 ZINC001303724688 1068276227 /nfs/dbraw/zinc/27/62/27/1068276227.db2.gz OQCXKVFXGNFHPN-SFHVURJKSA-N 1 2 462.589 3.192 20 0 JGADLO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOCC1)Oc1ccc(Cl)cc1 ZINC001303732616 1068288150 /nfs/dbraw/zinc/28/81/50/1068288150.db2.gz VWQKXEOXHYBVOX-IBGZPJMESA-N 1 2 471.005 3.153 20 0 JGADLO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303734153 1068290115 /nfs/dbraw/zinc/29/01/15/1068290115.db2.gz CNPPHJVHVZQXJU-GGAORHGYSA-N 1 2 455.647 3.425 20 0 JGADLO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303735787 1068293477 /nfs/dbraw/zinc/29/34/77/1068293477.db2.gz DPXBRYVYZUOENB-RXVVDRJESA-N 1 2 478.037 3.483 20 0 JGADLO COc1cc(NC(=O)c2ccccc2)c(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1OC ZINC001303741111 1068300836 /nfs/dbraw/zinc/30/08/36/1068300836.db2.gz KDZIUIWPRRXDOZ-UHFFFAOYSA-N 1 2 454.552 3.404 20 0 JGADLO O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001303749108 1068309636 /nfs/dbraw/zinc/30/96/36/1068309636.db2.gz IPZWCVAVMRGIPJ-UHFFFAOYSA-N 1 2 456.344 3.047 20 0 JGADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[N@H+]1CC=CCC1 ZINC001303771005 1068346047 /nfs/dbraw/zinc/34/60/47/1068346047.db2.gz HRNWANXJGPLSFI-GOSISDBHSA-N 1 2 477.700 3.407 20 0 JGADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CC[N@@H+]1CC=CCC1 ZINC001303771005 1068346059 /nfs/dbraw/zinc/34/60/59/1068346059.db2.gz HRNWANXJGPLSFI-GOSISDBHSA-N 1 2 477.700 3.407 20 0 JGADLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N[C@H]1CCOC[C@H]1Nc1cc[nH+]c(C)n1 ZINC001305218680 1068355631 /nfs/dbraw/zinc/35/56/31/1068355631.db2.gz GDNGXHGRFBHXJF-LEWJYISDSA-N 1 2 454.962 3.169 20 0 JGADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001303780176 1068357915 /nfs/dbraw/zinc/35/79/15/1068357915.db2.gz AOJYSJLTTQQPBF-LAUBAEHRSA-N 1 2 465.639 3.322 20 0 JGADLO C[C@@H]1COCCN1c1nnc(-c2cc(Br)cn2C)n1CCCNc1cccc[nH+]1 ZINC001305227449 1068372122 /nfs/dbraw/zinc/37/21/22/1068372122.db2.gz GZIDMYOJAJXZBL-OAHLLOKOSA-N 1 2 460.380 3.168 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CCC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001305234344 1068383447 /nfs/dbraw/zinc/38/34/47/1068383447.db2.gz OJUXGAFDQIPYDJ-LJQANCHMSA-N 1 2 476.666 3.350 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CCC2)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC001305234344 1068383466 /nfs/dbraw/zinc/38/34/66/1068383466.db2.gz OJUXGAFDQIPYDJ-LJQANCHMSA-N 1 2 476.666 3.350 20 0 JGADLO C[C@H]1OCC[C@]1(O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001305246518 1068399825 /nfs/dbraw/zinc/39/98/25/1068399825.db2.gz FLUPQAHBINAFOV-CLOONOSVSA-N 1 2 492.064 3.261 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1CCc1cn2ccccc2[nH+]1 ZINC001303803791 1068403237 /nfs/dbraw/zinc/40/32/37/1068403237.db2.gz PGYKWTWRXASTRB-IRXDYDNUSA-N 1 2 485.589 3.115 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001303828819 1068450321 /nfs/dbraw/zinc/45/03/21/1068450321.db2.gz OWTPMMYLXHONMC-AEFFLSMTSA-N 1 2 489.621 3.134 20 0 JGADLO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001305293508 1068497819 /nfs/dbraw/zinc/49/78/19/1068497819.db2.gz KHNVGLZQHPXAJO-MZNJEOGPSA-N 1 2 493.027 3.032 20 0 JGADLO CC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001305295711 1068502945 /nfs/dbraw/zinc/50/29/45/1068502945.db2.gz NWCZROBMKDWZHF-JOCHJYFZSA-N 1 2 488.434 3.231 20 0 JGADLO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC(F)(F)F ZINC001303896916 1068536952 /nfs/dbraw/zinc/53/69/52/1068536952.db2.gz DLYNDGRAGLZRSY-DLBZAZTESA-N 1 2 498.525 3.252 20 0 JGADLO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC(F)(F)F ZINC001303896918 1068536981 /nfs/dbraw/zinc/53/69/81/1068536981.db2.gz DLYNDGRAGLZRSY-IRXDYDNUSA-N 1 2 498.525 3.252 20 0 JGADLO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001305320893 1068538053 /nfs/dbraw/zinc/53/80/53/1068538053.db2.gz KAVMUSGHWGQYQD-CLOONOSVSA-N 1 2 489.064 3.140 20 0 JGADLO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305322000 1068540722 /nfs/dbraw/zinc/54/07/22/1068540722.db2.gz JMEHTNDRTYJHOI-KBMIEXCESA-N 1 2 450.587 3.472 20 0 JGADLO CC[C@H](C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001305326408 1068548049 /nfs/dbraw/zinc/54/80/49/1068548049.db2.gz MAAPGDUYANDBBT-GAJHUEQPSA-N 1 2 455.632 3.224 20 0 JGADLO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001305326706 1068549410 /nfs/dbraw/zinc/54/94/10/1068549410.db2.gz KARVGHXLMKQYEO-DFBJGRDBSA-N 1 2 468.602 3.166 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCCNc1cccc[nH+]1 ZINC001303926712 1068585469 /nfs/dbraw/zinc/58/54/69/1068585469.db2.gz OZCIZLDEWFXANL-MSOLQXFVSA-N 1 2 467.549 3.156 20 0 JGADLO CC[C@H](C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1)OC ZINC001305356940 1068605914 /nfs/dbraw/zinc/60/59/14/1068605914.db2.gz WAMQJBDWIRHQML-SFYKDHMMSA-N 1 2 475.609 3.313 20 0 JGADLO CC[C@H](C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305372494 1068626764 /nfs/dbraw/zinc/62/67/64/1068626764.db2.gz WPQXRTVBUGYGEB-RBUKOAKNSA-N 1 2 464.655 3.348 20 0 JGADLO CC[C@H](C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305372494 1068626769 /nfs/dbraw/zinc/62/67/69/1068626769.db2.gz WPQXRTVBUGYGEB-RBUKOAKNSA-N 1 2 464.655 3.348 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305372495 1068626940 /nfs/dbraw/zinc/62/69/40/1068626940.db2.gz WPQXRTVBUGYGEB-RTBURBONSA-N 1 2 464.655 3.348 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305372495 1068626944 /nfs/dbraw/zinc/62/69/44/1068626944.db2.gz WPQXRTVBUGYGEB-RTBURBONSA-N 1 2 464.655 3.348 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2cnn(CC)c2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305390327 1068635623 /nfs/dbraw/zinc/63/56/23/1068635623.db2.gz UUJRKPCGUQZDAI-PKOBYXMFSA-N 1 2 452.611 3.145 20 0 JGADLO CC[C@H](C)c1nnc(N(C)Cc2cnn(CC)c2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305390327 1068635626 /nfs/dbraw/zinc/63/56/26/1068635626.db2.gz UUJRKPCGUQZDAI-PKOBYXMFSA-N 1 2 452.611 3.145 20 0 JGADLO CC[C@H](C)c1nnc(N2CCc3cc(Br)ccc3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305473602 1068714641 /nfs/dbraw/zinc/71/46/41/1068714641.db2.gz ZXCYMSBFWDFGDX-KRWDZBQOSA-N 1 2 489.462 3.281 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001305485793 1068722202 /nfs/dbraw/zinc/72/22/02/1068722202.db2.gz ABAKEMOHXVYUEV-OTWHNJEPSA-N 1 2 451.637 3.481 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001305513218 1068757237 /nfs/dbraw/zinc/75/72/37/1068757237.db2.gz GIYPYDYLENBOIB-AZUAARDMSA-N 1 2 456.639 3.458 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001305514663 1068761318 /nfs/dbraw/zinc/76/13/18/1068761318.db2.gz IFLDFQZFNTVMEL-GGAORHGYSA-N 1 2 497.688 3.495 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC[C@](C)(O)c1ccccc1 ZINC001305519920 1068770804 /nfs/dbraw/zinc/77/08/04/1068770804.db2.gz UQYVFFMGFRCALA-BERHBOFZSA-N 1 2 482.673 3.222 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1Cc1c[nH+]ccc1OC ZINC001305536290 1068798112 /nfs/dbraw/zinc/79/81/12/1068798112.db2.gz DSHBIOLQCRTJFA-KRWDZBQOSA-N 1 2 452.534 3.231 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1Cc1c[nH+]ccc1OC ZINC001305536297 1068798190 /nfs/dbraw/zinc/79/81/90/1068798190.db2.gz DSHBIOLQCRTJFA-QGZVFWFLSA-N 1 2 452.534 3.231 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CC(F)(F)C1(OC)CCOCC1 ZINC001305536380 1068798531 /nfs/dbraw/zinc/79/85/31/1068798531.db2.gz XUBGXVOOJKMTPL-QGZVFWFLSA-N 1 2 479.576 3.048 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CCCNc1cccc[nH+]1 ZINC001305539224 1068806859 /nfs/dbraw/zinc/80/68/59/1068806859.db2.gz YHABGJDRWXPEIF-QFIPXVFZSA-N 1 2 482.677 3.213 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1C[C@@]1(O)CCSC1 ZINC001305539688 1068807651 /nfs/dbraw/zinc/80/76/51/1068807651.db2.gz GIFXUVXQEUHQBM-SBUREZEXSA-N 1 2 463.623 3.130 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H](OC)c1ccccc1 ZINC001305542537 1068815095 /nfs/dbraw/zinc/81/50/95/1068815095.db2.gz CZQWCFBQCAJDIB-ICDZXHCJSA-N 1 2 484.689 3.411 20 0 JGADLO CC[C@H](C)c1nnc(N2CCO[C@H](c3nnc(C)o3)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305566997 1068842832 /nfs/dbraw/zinc/84/28/32/1068842832.db2.gz PRZYXBYOIHSJKU-LPHOPBHVSA-N 1 2 454.579 3.350 20 0 JGADLO CC[C@H](C)CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001305580155 1068850957 /nfs/dbraw/zinc/85/09/57/1068850957.db2.gz SKDXBCBKAHZAJZ-TUACAJSNSA-N 1 2 481.707 3.009 20 0 JGADLO CC[C@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305592602 1068859395 /nfs/dbraw/zinc/85/93/95/1068859395.db2.gz NLESDURZAVKRGF-FXAWDEMLSA-N 1 2 466.638 3.123 20 0 JGADLO CC[C@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305592602 1068859410 /nfs/dbraw/zinc/85/94/10/1068859410.db2.gz NLESDURZAVKRGF-FXAWDEMLSA-N 1 2 466.638 3.123 20 0 JGADLO CC[C@@H](C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001305592305 1068859635 /nfs/dbraw/zinc/85/96/35/1068859635.db2.gz HWGLGVMGNSVBDP-NTKDMRAZSA-N 1 2 487.674 3.006 20 0 JGADLO CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001305631197 1068936469 /nfs/dbraw/zinc/93/64/69/1068936469.db2.gz ZRLFRLAGILTMHF-KRWDZBQOSA-N 1 2 483.020 3.328 20 0 JGADLO CC[C@@H](c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305663386 1069004538 /nfs/dbraw/zinc/00/45/38/1069004538.db2.gz XXJLSTBKQJDEKU-ZRCGQRJVSA-N 1 2 470.687 3.314 20 0 JGADLO CC[C@H](c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC[NH+]1CCSCC1)c1ccccc1 ZINC001305672257 1069020014 /nfs/dbraw/zinc/02/00/14/1069020014.db2.gz TVYIUUFHGZCHRW-YADHBBJMSA-N 1 2 491.727 3.272 20 0 JGADLO CC[C@H](c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC(=O)N(C)C)c1ccccc1 ZINC001305677671 1069033627 /nfs/dbraw/zinc/03/36/27/1069033627.db2.gz YVNDOEFJEROWPS-QFIPXVFZSA-N 1 2 490.656 3.457 20 0 JGADLO CC[C@H](c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCCC(=O)N(C)C)c1ccccc1 ZINC001305677805 1069034200 /nfs/dbraw/zinc/03/42/00/1069034200.db2.gz ZUUJIXSDISJYBO-QFIPXVFZSA-N 1 2 476.629 3.113 20 0 JGADLO CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)SC ZINC001305692755 1069062232 /nfs/dbraw/zinc/06/22/32/1069062232.db2.gz KONNQZNDEUNDIX-GOSISDBHSA-N 1 2 477.704 3.238 20 0 JGADLO CCC(CC)[C@@H](CCn1c(-c2cnccn2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001305704303 1069090467 /nfs/dbraw/zinc/09/04/67/1069090467.db2.gz UQGJVGLNAIVWSD-OAQYLSRUSA-N 1 2 465.606 3.001 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001305747102 1069190424 /nfs/dbraw/zinc/19/04/24/1069190424.db2.gz FAVFEAZVOCLWKZ-KNQAVFIVSA-N 1 2 483.661 3.491 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC(C)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305750379 1069196023 /nfs/dbraw/zinc/19/60/23/1069196023.db2.gz SMMUUYFVVSLKKP-IBGZPJMESA-N 1 2 469.634 3.101 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305771667 1069248901 /nfs/dbraw/zinc/24/89/01/1069248901.db2.gz CLLICVFZVCOHMQ-IBGZPJMESA-N 1 2 469.634 3.245 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305771669 1069248971 /nfs/dbraw/zinc/24/89/71/1069248971.db2.gz CLLICVFZVCOHMQ-LJQANCHMSA-N 1 2 469.634 3.245 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@H]1CCCOC1 ZINC001305783329 1069277275 /nfs/dbraw/zinc/27/72/75/1069277275.db2.gz BXNJUEJBBPXMAV-HXUWFJFHSA-N 1 2 498.676 3.172 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@@H]1CCCOC1 ZINC001305783326 1069277297 /nfs/dbraw/zinc/27/72/97/1069277297.db2.gz BXNJUEJBBPXMAV-FQEVSTJZSA-N 1 2 498.676 3.172 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@H]1CCC[C@@H]1C ZINC001305783724 1069278273 /nfs/dbraw/zinc/27/82/73/1069278273.db2.gz GMENJAHGLMCYJJ-HKUYNNGSSA-N 1 2 454.623 3.058 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(C)c3)CC2)n1Cc1c[nH+]ccc1OC ZINC001305784033 1069279386 /nfs/dbraw/zinc/27/93/86/1069279386.db2.gz ZRQYXIROQPWTQA-UHFFFAOYSA-N 1 2 477.613 3.283 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCc1nc(C)c(C)s1 ZINC001305784832 1069282440 /nfs/dbraw/zinc/28/24/40/1069282440.db2.gz XOKJXYUAJRPYOX-UHFFFAOYSA-N 1 2 482.658 3.234 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@@]1(O)CCC[C@H]1C ZINC001305787288 1069292949 /nfs/dbraw/zinc/29/29/49/1069292949.db2.gz JAAJSPABVFYAPX-BCHFMIIMSA-N 1 2 486.636 3.209 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1Cc1ccc(C)nc1 ZINC001305787895 1069295149 /nfs/dbraw/zinc/29/51/49/1069295149.db2.gz PKPSBPKOBBONNB-UHFFFAOYSA-N 1 2 482.658 3.035 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CC1(C)CCOCC1 ZINC001305788161 1069296323 /nfs/dbraw/zinc/29/63/23/1069296323.db2.gz RCBPNMQSKNXWLY-UHFFFAOYSA-N 1 2 486.636 3.475 20 0 JGADLO O=C1NCCc2[nH]c(-c3ccnc(N4CCC5(CC4)COCC[N@H+]5Cc4ccc(F)cc4)c3)cc21 ZINC001164671077 719506486 /nfs/dbraw/zinc/50/64/86/719506486.db2.gz BGIWGJQIMHLYMI-UHFFFAOYSA-N 1 2 475.568 3.373 20 0 JGADLO O=C1NCCc2[nH]c(-c3ccnc(N4CCC5(CC4)COCC[N@@H+]5Cc4ccc(F)cc4)c3)cc21 ZINC001164671077 719506494 /nfs/dbraw/zinc/50/64/94/719506494.db2.gz BGIWGJQIMHLYMI-UHFFFAOYSA-N 1 2 475.568 3.373 20 0 JGADLO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c12 ZINC001164673984 719520165 /nfs/dbraw/zinc/52/01/65/719520165.db2.gz WXLUIDDCNLENPD-UHFFFAOYSA-N 1 2 473.936 3.408 20 0 JGADLO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c12 ZINC001164673984 719520176 /nfs/dbraw/zinc/52/01/76/719520176.db2.gz WXLUIDDCNLENPD-UHFFFAOYSA-N 1 2 473.936 3.408 20 0 JGADLO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)cc2C1 ZINC001164677073 719533023 /nfs/dbraw/zinc/53/30/23/719533023.db2.gz BLNXVUFXEZTYOV-HXUWFJFHSA-N 1 2 468.573 3.155 20 0 JGADLO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)cc2C1 ZINC001164677073 719533031 /nfs/dbraw/zinc/53/30/31/719533031.db2.gz BLNXVUFXEZTYOV-HXUWFJFHSA-N 1 2 468.573 3.155 20 0 JGADLO Cn1ncc2c1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C[C@@H]2COc1cccnc1 ZINC001164688025 719595506 /nfs/dbraw/zinc/59/55/06/719595506.db2.gz SQRCKSLOQZCBRS-OAQYLSRUSA-N 1 2 467.577 3.346 20 0 JGADLO Cn1ncc2c1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C[C@@H]2COc1cccnc1 ZINC001164688025 719595510 /nfs/dbraw/zinc/59/55/10/719595510.db2.gz SQRCKSLOQZCBRS-OAQYLSRUSA-N 1 2 467.577 3.346 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2nc(Cl)cnc2c1 ZINC001164701866 719851772 /nfs/dbraw/zinc/85/17/72/719851772.db2.gz LGJVMBVJUQOYAQ-YWZLYKJASA-N 1 2 454.905 3.061 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Oc2ccc(SC)cc2)ncn1 ZINC001164699262 719863924 /nfs/dbraw/zinc/86/39/24/719863924.db2.gz BJRCEHPUPLITKH-SBUREZEXSA-N 1 2 458.584 3.224 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCCC[C@@H]1C ZINC001164700638 719868010 /nfs/dbraw/zinc/86/80/10/719868010.db2.gz FEEGVEPQWFKACZ-DYLHXGEVSA-N 1 2 467.614 3.241 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(F)cc1 ZINC001164706514 719869997 /nfs/dbraw/zinc/86/99/97/719869997.db2.gz PRYAWJXRKJDYKQ-OPAMFIHVSA-N 1 2 464.925 3.294 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1F ZINC001164704392 719878041 /nfs/dbraw/zinc/87/80/41/719878041.db2.gz WNQPIIDKSOLGRK-OYHNWAKOSA-N 1 2 464.925 3.294 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(C)c1 ZINC001164696671 719878326 /nfs/dbraw/zinc/87/83/26/719878326.db2.gz ANINVYGXJXYBGT-SBUREZEXSA-N 1 2 460.962 3.463 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(OC)cc1 ZINC001164704879 719878732 /nfs/dbraw/zinc/87/87/32/719878732.db2.gz WVPDPWOHVBNFQL-MWTRTKDXSA-N 1 2 476.961 3.164 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1OC ZINC001164697057 719879335 /nfs/dbraw/zinc/87/93/35/719879335.db2.gz BKNJBBSTMJNJHB-QMHKHESXSA-N 1 2 476.961 3.164 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)nnc(Cl)c1N1CCCCC1 ZINC001164699754 719880741 /nfs/dbraw/zinc/88/07/41/719880741.db2.gz IAFULPNNJPQUPI-QVKFZJNVSA-N 1 2 472.417 3.006 20 0 JGADLO Cc1ccc(-c2nnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c3ccccc32)cc1 ZINC001164708281 719921331 /nfs/dbraw/zinc/92/13/31/719921331.db2.gz HGKZGXHNIQQWPJ-UHFFFAOYSA-N 1 2 481.604 3.289 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)CC2 ZINC001164703726 720047146 /nfs/dbraw/zinc/04/71/46/720047146.db2.gz LXHLFEZZBODZNO-UHFFFAOYSA-N 1 2 493.615 3.494 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C2)C1 ZINC001164721100 720309434 /nfs/dbraw/zinc/30/94/34/720309434.db2.gz DYJZOSUSLYJVOB-JOCHJYFZSA-N 1 2 470.992 3.214 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc4c3CCCCC4)C2)C1 ZINC001164721100 720309440 /nfs/dbraw/zinc/30/94/40/720309440.db2.gz DYJZOSUSLYJVOB-JOCHJYFZSA-N 1 2 470.992 3.214 20 0 JGADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCc2c([nH+]cn2C(C)C)[C@H]1CNC(C)=O ZINC001164722293 720314161 /nfs/dbraw/zinc/31/41/61/720314161.db2.gz JZAJEFFDSJCTAI-OAHLLOKOSA-N 1 2 455.893 3.084 20 0 JGADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)c1 ZINC001164721915 720315335 /nfs/dbraw/zinc/31/53/35/720315335.db2.gz IWSUTJNIKQYPLG-HNNXBMFYSA-N 1 2 455.893 3.084 20 0 JGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164722388 720317460 /nfs/dbraw/zinc/31/74/60/720317460.db2.gz KSNGIBRREOEWAP-INIZCTEOSA-N 1 2 470.908 3.389 20 0 JGADLO CCS(=O)(=O)c1cc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)cnc1Cl ZINC001164724969 720318341 /nfs/dbraw/zinc/31/83/41/720318341.db2.gz UDXNSGWGEQVUJA-MRXNPFEDSA-N 1 2 489.976 3.091 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(Cl)c5ccsc54)CC3)C2=O)cs1 ZINC001164824069 720362416 /nfs/dbraw/zinc/36/24/16/720362416.db2.gz IFUCWUDBGABNFI-UHFFFAOYSA-N 1 2 463.032 3.423 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(Cl)c5ccsc54)CC3)C2=O)cs1 ZINC001164824069 720362421 /nfs/dbraw/zinc/36/24/21/720362421.db2.gz IFUCWUDBGABNFI-UHFFFAOYSA-N 1 2 463.032 3.423 20 0 JGADLO COc1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)ccc2c1 ZINC001164823082 720366909 /nfs/dbraw/zinc/36/69/09/720366909.db2.gz AHHNKMWODWVXTL-UHFFFAOYSA-N 1 2 451.596 3.322 20 0 JGADLO COc1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)ccc2c1 ZINC001164823082 720366916 /nfs/dbraw/zinc/36/69/16/720366916.db2.gz AHHNKMWODWVXTL-UHFFFAOYSA-N 1 2 451.596 3.322 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5cc(Cl)ccc5n4)CC3)C2=O)cs1 ZINC001164820687 720371645 /nfs/dbraw/zinc/37/16/45/720371645.db2.gz QORJJJOTBYIHEG-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5cc(Cl)ccc5n4)CC3)C2=O)cs1 ZINC001164820687 720371652 /nfs/dbraw/zinc/37/16/52/720371652.db2.gz QORJJJOTBYIHEG-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(OCc5ccccc5)cnn4)CC3)C2=O)cs1 ZINC001164821083 720372969 /nfs/dbraw/zinc/37/29/69/720372969.db2.gz WMWSQGTYBOIEBC-UHFFFAOYSA-N 1 2 478.622 3.134 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(OCc5ccccc5)cnn4)CC3)C2=O)cs1 ZINC001164821083 720372975 /nfs/dbraw/zinc/37/29/75/720372975.db2.gz WMWSQGTYBOIEBC-UHFFFAOYSA-N 1 2 478.622 3.134 20 0 JGADLO COc1cccc(-c2ccnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)n2)c1 ZINC001164820364 720373999 /nfs/dbraw/zinc/37/39/99/720373999.db2.gz OSZKGHJACDHAIW-UHFFFAOYSA-N 1 2 478.622 3.230 20 0 JGADLO COc1cccc(-c2ccnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)n2)c1 ZINC001164820364 720374008 /nfs/dbraw/zinc/37/40/08/720374008.db2.gz OSZKGHJACDHAIW-UHFFFAOYSA-N 1 2 478.622 3.230 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(=O)N5CCC[C@H](C)C5)cn4)CC3)C2=O)cs1 ZINC001164820745 720379713 /nfs/dbraw/zinc/37/97/13/720379713.db2.gz SQRHWZPGGMSFBO-IBGZPJMESA-N 1 2 496.681 3.032 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(=O)N5CCC[C@H](C)C5)cn4)CC3)C2=O)cs1 ZINC001164820745 720379717 /nfs/dbraw/zinc/37/97/17/720379717.db2.gz SQRHWZPGGMSFBO-IBGZPJMESA-N 1 2 496.681 3.032 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(-c5ccncc5)nc(C)c4C)CC3)C2=O)cs1 ZINC001164823615 720382213 /nfs/dbraw/zinc/38/22/13/720382213.db2.gz OSWLXCUIFUKRQL-UHFFFAOYSA-N 1 2 477.638 3.234 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(-c5ccncc5)nc(C)c4C)CC3)C2=O)cs1 ZINC001164823615 720382218 /nfs/dbraw/zinc/38/22/18/720382218.db2.gz OSWLXCUIFUKRQL-UHFFFAOYSA-N 1 2 477.638 3.234 20 0 JGADLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)O2)n1 ZINC001164831526 720406391 /nfs/dbraw/zinc/40/63/91/720406391.db2.gz VUZVPORZEGRQSI-SMIHKQSGSA-N 1 2 488.592 3.230 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3ccc(Cl)cc31)C2 ZINC001164827654 720429589 /nfs/dbraw/zinc/42/95/89/720429589.db2.gz UXNIIYARCDMRLT-HNNXBMFYSA-N 1 2 477.396 3.123 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc(Cl)nc(Cl)c1)C2 ZINC001164822587 720431597 /nfs/dbraw/zinc/43/15/97/720431597.db2.gz FJXKGCGMSYSUHC-AWEZNQCLSA-N 1 2 476.355 3.119 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3cc(C(C)(C)C)sc31)C2 ZINC001164824615 720440474 /nfs/dbraw/zinc/44/04/74/720440474.db2.gz ODJNGOGWIWNZDY-QGZVFWFLSA-N 1 2 470.643 3.175 20 0 JGADLO CC(C)c1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(C(C)(C)C)n1 ZINC001164831720 720475461 /nfs/dbraw/zinc/47/54/61/720475461.db2.gz OUIZRKWHTJDTMB-LJQANCHMSA-N 1 2 456.635 3.084 20 0 JGADLO Cc1cccc(Oc2nc(Cl)ncc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164832159 720481295 /nfs/dbraw/zinc/48/12/95/720481295.db2.gz IREVBWQOGFYGTC-IBGZPJMESA-N 1 2 499.015 3.417 20 0 JGADLO COc1cc2cnc(Cl)cc2cc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164835682 720483559 /nfs/dbraw/zinc/48/35/59/720483559.db2.gz ZQIXBVAOUYCVNF-LJQANCHMSA-N 1 2 471.989 3.083 20 0 JGADLO C[Si](C)(C)c1ccc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1Cl ZINC001164861217 720895895 /nfs/dbraw/zinc/89/58/95/720895895.db2.gz XEIZYVZVJYSCLQ-UHFFFAOYSA-N 1 2 479.007 3.037 20 0 JGADLO c1[nH+]cn2c1CN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C[C@H](COCC1CC1)C2 ZINC001164755840 720979724 /nfs/dbraw/zinc/97/97/24/720979724.db2.gz CGRZFNMAKKMXMJ-IBGZPJMESA-N 1 2 494.665 3.272 20 0 JGADLO Cc1sc2nc(CN3CCOCC3)nc(N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c2c1C ZINC001164872907 721220108 /nfs/dbraw/zinc/22/01/08/721220108.db2.gz OZTULQZBPDVSPY-UHFFFAOYSA-N 1 2 494.665 3.411 20 0 JGADLO c1ncn2c1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C[C@H](COc1cccnc1)C2 ZINC001164769346 721272315 /nfs/dbraw/zinc/27/23/15/721272315.db2.gz XPWTUNYGUZFUBY-QFIPXVFZSA-N 1 2 467.577 3.342 20 0 JGADLO c1ncn2c1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C[C@H](COc1cccnc1)C2 ZINC001164769346 721272319 /nfs/dbraw/zinc/27/23/19/721272319.db2.gz XPWTUNYGUZFUBY-QFIPXVFZSA-N 1 2 467.577 3.342 20 0 JGADLO COC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1Cl ZINC001164763145 721273341 /nfs/dbraw/zinc/27/33/41/721273341.db2.gz CFONAOURBOCYFE-AWEZNQCLSA-N 1 2 463.872 3.373 20 0 JGADLO COC(=O)c1cc2c(nc1N1CCCC1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164778168 721307879 /nfs/dbraw/zinc/30/78/79/721307879.db2.gz XLFMCTMLJPFZFI-UHFFFAOYSA-N 1 2 498.631 3.422 20 0 JGADLO COC(=O)c1cc2c(nc1N1CCCC1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164778168 721307887 /nfs/dbraw/zinc/30/78/87/721307887.db2.gz XLFMCTMLJPFZFI-UHFFFAOYSA-N 1 2 498.631 3.422 20 0 JGADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)Nc2cccc(F)c2)[C@H]2CCCO[C@H]12 ZINC001164800047 721584449 /nfs/dbraw/zinc/58/44/49/721584449.db2.gz BHYJAJXYSIRKNK-ZDXQCDESSA-N 1 2 497.596 3.285 20 0 JGADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)Nc2cccc(F)c2)[C@H]2CCCO[C@H]12 ZINC001164800047 721584450 /nfs/dbraw/zinc/58/44/50/721584450.db2.gz BHYJAJXYSIRKNK-ZDXQCDESSA-N 1 2 497.596 3.285 20 0 JGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)C2 ZINC001165009789 721703349 /nfs/dbraw/zinc/70/33/49/721703349.db2.gz DPGSPONFYKEAKT-KRWDZBQOSA-N 1 2 459.986 3.021 20 0 JGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)C2 ZINC001165009789 721703351 /nfs/dbraw/zinc/70/33/51/721703351.db2.gz DPGSPONFYKEAKT-KRWDZBQOSA-N 1 2 459.986 3.021 20 0 JGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001165010587 721720220 /nfs/dbraw/zinc/72/02/20/721720220.db2.gz JSLQUUJSZKXATH-UHFFFAOYSA-N 1 2 457.913 3.214 20 0 JGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001165010587 721720223 /nfs/dbraw/zinc/72/02/23/721720223.db2.gz JSLQUUJSZKXATH-UHFFFAOYSA-N 1 2 457.913 3.214 20 0 JGADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001165015160 721766001 /nfs/dbraw/zinc/76/60/01/721766001.db2.gz MWLTWKDVZRYIRO-UHFFFAOYSA-N 1 2 475.931 3.080 20 0 JGADLO CSc1ccc(Oc2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164916000 721791176 /nfs/dbraw/zinc/79/11/76/721791176.db2.gz NEOJQOSHLCTVND-RUZDIDTESA-N 1 2 479.606 3.494 20 0 JGADLO CSc1ccc(Oc2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164916000 721791177 /nfs/dbraw/zinc/79/11/77/721791177.db2.gz NEOJQOSHLCTVND-RUZDIDTESA-N 1 2 479.606 3.494 20 0 JGADLO CCN(c1ccccc1)c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164913177 721798338 /nfs/dbraw/zinc/79/83/38/721798338.db2.gz AIIAAGAMROONFS-SANMLTNESA-N 1 2 460.582 3.137 20 0 JGADLO CCN(c1ccccc1)c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164913177 721798342 /nfs/dbraw/zinc/79/83/42/721798342.db2.gz AIIAAGAMROONFS-SANMLTNESA-N 1 2 460.582 3.137 20 0 JGADLO Clc1nc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C2CC2)n1 ZINC001164914990 721800890 /nfs/dbraw/zinc/80/08/90/721800890.db2.gz SQDLLQKQKGKXJL-NRFANRHFSA-N 1 2 450.370 3.164 20 0 JGADLO Clc1nc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C2CC2)n1 ZINC001164914990 721800892 /nfs/dbraw/zinc/80/08/92/721800892.db2.gz SQDLLQKQKGKXJL-NRFANRHFSA-N 1 2 450.370 3.164 20 0 JGADLO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917981 721814856 /nfs/dbraw/zinc/81/48/56/721814856.db2.gz SYNMTFBSDUKGSC-UHFFFAOYSA-N 1 2 454.962 3.406 20 0 JGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)CC1 ZINC001164918406 721815371 /nfs/dbraw/zinc/81/53/71/721815371.db2.gz WNCCLOYXJBZAQA-INIZCTEOSA-N 1 2 456.982 3.125 20 0 JGADLO COc1cc2cc[nH+]c(N3CCO[C@]4(C3)COCCN(Cc3csc(C)n3)C4)c2cc1F ZINC001164926749 721834108 /nfs/dbraw/zinc/83/41/08/721834108.db2.gz RVHFRUHBVISSFW-HSZRJFAPSA-N 1 2 458.559 3.255 20 0 JGADLO COc1cc2cc[nH+]c(N3CCO[C@@]4(C3)COCCN(Cc3csc(C)n3)C4)c2cc1F ZINC001164926752 721834185 /nfs/dbraw/zinc/83/41/85/721834185.db2.gz RVHFRUHBVISSFW-QHCPKHFHSA-N 1 2 458.559 3.255 20 0 JGADLO Fc1cnc(N2CCOC[C@]3(CCCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C3)C2)nc1 ZINC001164920016 721845589 /nfs/dbraw/zinc/84/55/89/721845589.db2.gz FKVZBUYRSRUGCG-MHZLTWQESA-N 1 2 489.599 3.087 20 0 JGADLO Fc1cnc(N2CCOC[C@]3(CCCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C3)C2)nc1 ZINC001164920016 721845591 /nfs/dbraw/zinc/84/55/91/721845591.db2.gz FKVZBUYRSRUGCG-MHZLTWQESA-N 1 2 489.599 3.087 20 0 JGADLO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165036549 721901460 /nfs/dbraw/zinc/90/14/60/721901460.db2.gz HEUSHYXKJYXMOD-QGZVFWFLSA-N 1 2 466.916 3.333 20 0 JGADLO O=C(NC1CCCCC1)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944999 721970015 /nfs/dbraw/zinc/97/00/15/721970015.db2.gz MHYXJCHOIBHHOW-UHFFFAOYSA-N 1 2 461.610 3.115 20 0 JGADLO O=C(NC1CCCCC1)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944999 721970018 /nfs/dbraw/zinc/97/00/18/721970018.db2.gz MHYXJCHOIBHHOW-UHFFFAOYSA-N 1 2 461.610 3.115 20 0 JGADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164943707 721971784 /nfs/dbraw/zinc/97/17/84/721971784.db2.gz CERXYGDRDVRPBZ-UHFFFAOYSA-N 1 2 456.974 3.191 20 0 JGADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164943707 721971786 /nfs/dbraw/zinc/97/17/86/721971786.db2.gz CERXYGDRDVRPBZ-UHFFFAOYSA-N 1 2 456.974 3.191 20 0 JGADLO COc1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c(Cl)nc2c1 ZINC001164945955 721972609 /nfs/dbraw/zinc/97/26/09/721972609.db2.gz VCVKJBYXKRCCAR-UHFFFAOYSA-N 1 2 451.958 3.263 20 0 JGADLO COc1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c(Cl)nc2c1 ZINC001164945955 721972611 /nfs/dbraw/zinc/97/26/11/721972611.db2.gz VCVKJBYXKRCCAR-UHFFFAOYSA-N 1 2 451.958 3.263 20 0 JGADLO COc1cccc(Oc2cncc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)n2)c1 ZINC001164948472 721976110 /nfs/dbraw/zinc/97/61/10/721976110.db2.gz ZSFMUKFVNXSTLG-UHFFFAOYSA-N 1 2 459.550 3.249 20 0 JGADLO COc1cccc(Oc2cncc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)n2)c1 ZINC001164948472 721976114 /nfs/dbraw/zinc/97/61/14/721976114.db2.gz ZSFMUKFVNXSTLG-UHFFFAOYSA-N 1 2 459.550 3.249 20 0 JGADLO O=C(c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1)N1CCc2ccccc21 ZINC001164946861 721978178 /nfs/dbraw/zinc/97/81/78/721978178.db2.gz LRUUNYUIKROYNF-UHFFFAOYSA-N 1 2 481.600 3.256 20 0 JGADLO O=C(c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1)N1CCc2ccccc21 ZINC001164946861 721978182 /nfs/dbraw/zinc/97/81/82/721978182.db2.gz LRUUNYUIKROYNF-UHFFFAOYSA-N 1 2 481.600 3.256 20 0 JGADLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(NC(=O)c2ccccc2)n1 ZINC001164945562 721980358 /nfs/dbraw/zinc/98/03/58/721980358.db2.gz ADYRECAVBMXOBE-UHFFFAOYSA-N 1 2 470.577 3.008 20 0 JGADLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(NC(=O)c2ccccc2)n1 ZINC001164945562 721980360 /nfs/dbraw/zinc/98/03/60/721980360.db2.gz ADYRECAVBMXOBE-UHFFFAOYSA-N 1 2 470.577 3.008 20 0 JGADLO CS(=O)(=O)N1C[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2c2ccccc21 ZINC001164971353 722089627 /nfs/dbraw/zinc/08/96/27/722089627.db2.gz BTWIFJHQQLAFDR-IRLDBZIGSA-N 1 2 475.618 3.035 20 0 JGADLO CS(=O)(=O)N1C[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2c2ccccc21 ZINC001164971353 722089628 /nfs/dbraw/zinc/08/96/28/722089628.db2.gz BTWIFJHQQLAFDR-IRLDBZIGSA-N 1 2 475.618 3.035 20 0 JGADLO CS(=O)(=O)N1C[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2c2ccccc21 ZINC001164971352 722089689 /nfs/dbraw/zinc/08/96/89/722089689.db2.gz BTWIFJHQQLAFDR-IFMALSPDSA-N 1 2 475.618 3.035 20 0 JGADLO CS(=O)(=O)N1C[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2c2ccccc21 ZINC001164971352 722089690 /nfs/dbraw/zinc/08/96/90/722089690.db2.gz BTWIFJHQQLAFDR-IFMALSPDSA-N 1 2 475.618 3.035 20 0 JGADLO COc1cc2c[nH+]c(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)cc2cc1OC ZINC001165004742 722268948 /nfs/dbraw/zinc/26/89/48/722268948.db2.gz CFXNAKJWOARSRL-VWLOTQADSA-N 1 2 450.514 3.319 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCSCC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001305798214 1069319561 /nfs/dbraw/zinc/31/95/61/1069319561.db2.gz LVBDYCSSYFDGPS-UHFFFAOYSA-N 1 2 453.616 3.043 20 0 JGADLO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001305804255 1069329120 /nfs/dbraw/zinc/32/91/20/1069329120.db2.gz RCGNBEVHZRWNAP-OAQYLSRUSA-N 1 2 463.586 3.294 20 0 JGADLO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)OC ZINC001305811347 1069341850 /nfs/dbraw/zinc/34/18/50/1069341850.db2.gz PYBAAKKSRNEOSH-QGZVFWFLSA-N 1 2 488.434 3.495 20 0 JGADLO CC[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)CC[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC001305824614 1069361781 /nfs/dbraw/zinc/36/17/81/1069361781.db2.gz SSOJSHACQATULI-SFHVURJKSA-N 1 2 476.597 3.156 20 0 JGADLO CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001305849801 1069401553 /nfs/dbraw/zinc/40/15/53/1069401553.db2.gz UVLQMAFZYWDEFO-PKTZIBPZSA-N 1 2 498.672 3.032 20 0 JGADLO CC[C@]1(C)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001305873790 1069427763 /nfs/dbraw/zinc/42/77/63/1069427763.db2.gz JEDCNUYACURKGJ-GREBRCKQSA-N 1 2 463.623 3.249 20 0 JGADLO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001298208850 1064126222 /nfs/dbraw/zinc/12/62/22/1064126222.db2.gz RNFNAJXRUWVZCH-UHFFFAOYSA-N 1 2 465.577 3.479 20 0 JGADLO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccccc2)n1C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001298209322 1064127208 /nfs/dbraw/zinc/12/72/08/1064127208.db2.gz YDAMCOXTKJXFPO-HXUWFJFHSA-N 1 2 482.654 3.431 20 0 JGADLO CN(CC(F)(F)F)c1nnc([C@H]2CCCCO2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001298247484 1064149530 /nfs/dbraw/zinc/14/95/30/1064149530.db2.gz AXBNLMNTIPVGPG-HXUWFJFHSA-N 1 2 466.552 3.336 20 0 JGADLO CN(Cc1ccc(Br)o1)c1nnc(C(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001298274825 1064165152 /nfs/dbraw/zinc/16/51/52/1064165152.db2.gz NCOYNNCLINZESI-UHFFFAOYSA-N 1 2 452.397 3.432 20 0 JGADLO CN(Cc1ccc(OC(F)F)cc1)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001298317577 1064192984 /nfs/dbraw/zinc/19/29/84/1064192984.db2.gz VYCSVUFHHWWJPA-LJQANCHMSA-N 1 2 465.545 3.478 20 0 JGADLO CN(Cc1ccc(OC(F)F)cc1)c1nnc([C@H]2CCCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001298317577 1064192987 /nfs/dbraw/zinc/19/29/87/1064192987.db2.gz VYCSVUFHHWWJPA-LJQANCHMSA-N 1 2 465.545 3.478 20 0 JGADLO CN(Cc1cnccn1)c1nnc(Cc2cccnc2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001298410850 1064240437 /nfs/dbraw/zinc/24/04/37/1064240437.db2.gz YOUKZDHVCXWQQR-OAQYLSRUSA-N 1 2 464.524 3.271 20 0 JGADLO CN(Cc1ccsc1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[NH+]1CCSCC1 ZINC001298427731 1064248043 /nfs/dbraw/zinc/24/80/43/1064248043.db2.gz ZKPNVUGHCPWJMZ-UHFFFAOYSA-N 1 2 477.681 3.095 20 0 JGADLO CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)[C@]1([NH+](C)C)COc2ccccc2C1 ZINC001298477994 1064271262 /nfs/dbraw/zinc/27/12/62/1064271262.db2.gz CJYOCICHTUYONL-MUUNZHRXSA-N 1 2 457.574 3.286 20 0 JGADLO CN(CCc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001298616932 1064388090 /nfs/dbraw/zinc/38/80/90/1064388090.db2.gz AAHGWPAFYCZTBF-TZIWHRDSSA-N 1 2 491.658 3.363 20 0 JGADLO CN(CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[NH+]1CCOCC1)CC(F)(F)F ZINC001298697344 1064499035 /nfs/dbraw/zinc/49/90/35/1064499035.db2.gz LYUNRYDPFMFDEO-UHFFFAOYSA-N 1 2 478.922 3.000 20 0 JGADLO C[N@H+](CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)Cc1ccc(F)cc1 ZINC001298711532 1064516799 /nfs/dbraw/zinc/51/67/99/1064516799.db2.gz CEMXDPJWCUWBNU-OAQYLSRUSA-N 1 2 491.658 3.215 20 0 JGADLO C[N@@H+](CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)Cc1ccc(F)cc1 ZINC001298711532 1064516814 /nfs/dbraw/zinc/51/68/14/1064516814.db2.gz CEMXDPJWCUWBNU-OAQYLSRUSA-N 1 2 491.658 3.215 20 0 JGADLO CN(CC1CCCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001298712375 1064519123 /nfs/dbraw/zinc/51/91/23/1064519123.db2.gz BPWNTRLDRHTOTQ-FQEVSTJZSA-N 1 2 463.623 3.078 20 0 JGADLO CN(CC1CCCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001298712375 1064519138 /nfs/dbraw/zinc/51/91/38/1064519138.db2.gz BPWNTRLDRHTOTQ-FQEVSTJZSA-N 1 2 463.623 3.078 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(C)CCCO1 ZINC001298733024 1064548219 /nfs/dbraw/zinc/54/82/19/1064548219.db2.gz IJHFCOQVUKQQHA-NRFANRHFSA-N 1 2 482.398 3.184 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(C)CCCO1 ZINC001298733026 1064548433 /nfs/dbraw/zinc/54/84/33/1064548433.db2.gz IJHFCOQVUKQQHA-OAQYLSRUSA-N 1 2 482.398 3.184 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2Br)n1CCOC(C)(C)C ZINC001298736464 1064550810 /nfs/dbraw/zinc/55/08/10/1064550810.db2.gz GRKBBWPQPJHOAI-UHFFFAOYSA-N 1 2 466.424 3.291 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CC(C)(C)O ZINC001298736120 1064550965 /nfs/dbraw/zinc/55/09/65/1064550965.db2.gz BAVNMJWKDHPUEK-UHFFFAOYSA-N 1 2 459.591 3.352 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nccc(C(F)F)n1 ZINC001298736801 1064551367 /nfs/dbraw/zinc/55/13/67/1064551367.db2.gz JZIVQEXIVODLCS-UHFFFAOYSA-N 1 2 481.910 3.282 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2Cl)n1CCCn1cccn1 ZINC001298736872 1064551401 /nfs/dbraw/zinc/55/14/01/1064551401.db2.gz LPLFJFHUCRSAPY-UHFFFAOYSA-N 1 2 464.401 3.307 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(F)cc2Br)n1CC(F)(F)F ZINC001298737306 1064552160 /nfs/dbraw/zinc/55/21/60/1064552160.db2.gz RVEIBCPYGIXSJA-UHFFFAOYSA-N 1 2 466.277 3.177 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccc2F)n1Cc1cc(C(C)(C)C)no1 ZINC001298738553 1064553661 /nfs/dbraw/zinc/55/36/61/1064553661.db2.gz KOKYCUFPJBUUQK-UHFFFAOYSA-N 1 2 456.566 3.110 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1CCc1ccc(Br)cc1 ZINC001298738606 1064553714 /nfs/dbraw/zinc/55/37/14/1064553714.db2.gz MDGUGTCGRZFCLD-UHFFFAOYSA-N 1 2 485.430 3.038 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(Cl)cc2)n1CC1(O)CCCCCC1 ZINC001298740109 1064555001 /nfs/dbraw/zinc/55/50/01/1064555001.db2.gz BUMDSJSCJOPCRN-UHFFFAOYSA-N 1 2 478.037 3.364 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(COc2ccc(Cl)cc2Cl)n1CC(F)(F)F ZINC001298740832 1064555668 /nfs/dbraw/zinc/55/56/68/1064555668.db2.gz VGFHSDHXGVCTEG-UHFFFAOYSA-N 1 2 468.307 3.495 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(F)c(F)c1 ZINC001298740633 1064555723 /nfs/dbraw/zinc/55/57/23/1064555723.db2.gz PVHYPZBTSVPCNF-WIYYLYMNSA-N 1 2 463.573 3.292 20 0 JGADLO Cn1cccc1-c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001298860934 1064664568 /nfs/dbraw/zinc/66/45/68/1064664568.db2.gz HCJDOAJCSRXMLR-UUWRZZSWSA-N 1 2 484.670 3.032 20 0 JGADLO CNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001298949047 1064739787 /nfs/dbraw/zinc/73/97/87/1064739787.db2.gz LIBLKWDJEAAKDQ-UHFFFAOYSA-N 1 2 495.653 3.073 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001298952907 1064743942 /nfs/dbraw/zinc/74/39/42/1064743942.db2.gz HDIPPCGRFFKNCC-QUCCMNQESA-N 1 2 479.629 3.363 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001298954221 1064744929 /nfs/dbraw/zinc/74/49/29/1064744929.db2.gz ABHYFNGNUCPLEN-CVEARBPZSA-N 1 2 491.061 3.352 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2sc3ccccc3c2Cl)n1CC[N@H+]1CCOC[C@@H]1C ZINC001298954221 1064744942 /nfs/dbraw/zinc/74/49/42/1064744942.db2.gz ABHYFNGNUCPLEN-CVEARBPZSA-N 1 2 491.061 3.352 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001298967827 1064758128 /nfs/dbraw/zinc/75/81/28/1064758128.db2.gz RXYWKWOLXZYQCY-GOSISDBHSA-N 1 2 465.602 3.344 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001298991159 1064773650 /nfs/dbraw/zinc/77/36/50/1064773650.db2.gz OJVWPYGSASWOCA-SFHVURJKSA-N 1 2 496.685 3.276 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(CC2CCCC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001298991614 1064774601 /nfs/dbraw/zinc/77/46/01/1064774601.db2.gz BUAOLSASUTUJIJ-QPPBQGQZSA-N 1 2 482.673 3.211 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(CC2CCCC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001298991617 1064774720 /nfs/dbraw/zinc/77/47/20/1064774720.db2.gz BUAOLSASUTUJIJ-ZJSXRUAMSA-N 1 2 482.673 3.211 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001299002394 1064781754 /nfs/dbraw/zinc/78/17/54/1064781754.db2.gz XGVULEWNSJBOIY-MTFMMBMASA-N 1 2 471.650 3.098 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001299003426 1064783221 /nfs/dbraw/zinc/78/32/21/1064783221.db2.gz TXVMCQKWFLWVQH-KRWDZBQOSA-N 1 2 495.093 3.153 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001299003426 1064783235 /nfs/dbraw/zinc/78/32/35/1064783235.db2.gz TXVMCQKWFLWVQH-KRWDZBQOSA-N 1 2 495.093 3.153 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[N@@H+]1CCOCC1(C)C ZINC001299003428 1064783428 /nfs/dbraw/zinc/78/34/28/1064783428.db2.gz TXVMCQKWFLWVQH-QGZVFWFLSA-N 1 2 495.093 3.153 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(CSc2ccc(Cl)cc2)n1CC[N@H+]1CCOCC1(C)C ZINC001299003428 1064783440 /nfs/dbraw/zinc/78/34/40/1064783440.db2.gz TXVMCQKWFLWVQH-QGZVFWFLSA-N 1 2 495.093 3.153 20 0 JGADLO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001299006184 1064788797 /nfs/dbraw/zinc/78/87/97/1064788797.db2.gz KMVBTEQWNHXFRU-GKVSMKOHSA-N 1 2 481.576 3.029 20 0 JGADLO CC[N@@H+]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)[C@H](C)C1 ZINC001299008925 1064793523 /nfs/dbraw/zinc/79/35/23/1064793523.db2.gz BMNXPCXTBIUTMA-MRXNPFEDSA-N 1 2 457.434 3.478 20 0 JGADLO CC[N@H+]1CCCN(C(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)[C@H](C)C1 ZINC001299008925 1064793527 /nfs/dbraw/zinc/79/35/27/1064793527.db2.gz BMNXPCXTBIUTMA-MRXNPFEDSA-N 1 2 457.434 3.478 20 0 JGADLO CNC(=O)[C@@]1(C)CCN(c2nnc(CC(C)(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001299031400 1064818106 /nfs/dbraw/zinc/81/81/06/1064818106.db2.gz YEDIJTVUXSXVEC-VWLOTQADSA-N 1 2 453.635 3.263 20 0 JGADLO CCc1c[nH]c(CC(=O)Nc2ccccc2OCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001299049653 1064839814 /nfs/dbraw/zinc/83/98/14/1064839814.db2.gz PQNQAGMTRKRYNI-UHFFFAOYSA-N 1 2 457.575 3.085 20 0 JGADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001299063996 1064860663 /nfs/dbraw/zinc/86/06/63/1064860663.db2.gz CNLOOTPEGPDTNQ-FCHUYYIVSA-N 1 2 498.672 3.108 20 0 JGADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001299063996 1064860672 /nfs/dbraw/zinc/86/06/72/1064860672.db2.gz CNLOOTPEGPDTNQ-FCHUYYIVSA-N 1 2 498.672 3.108 20 0 JGADLO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001299812595 1065007928 /nfs/dbraw/zinc/00/79/28/1065007928.db2.gz FDUYHKBLVUMQLJ-INIZCTEOSA-N 1 2 458.971 3.497 20 0 JGADLO COc1cc(CCn2c(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)ccc1C ZINC001299866992 1065085008 /nfs/dbraw/zinc/08/50/08/1065085008.db2.gz DMCPLWHFORJNPA-XMMPIXPASA-N 1 2 498.716 3.367 20 0 JGADLO COc1cc(CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[NH+]2CCOCC2)ccc1SC ZINC001299873504 1065093592 /nfs/dbraw/zinc/09/35/92/1065093592.db2.gz PEAZYACBOQNJCW-QUCCMNQESA-N 1 2 475.659 3.260 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCOC[C@H]1C ZINC001299898833 1065133730 /nfs/dbraw/zinc/13/37/30/1065133730.db2.gz SYSXVKULNOSSPU-QZTJIDSGSA-N 1 2 464.010 3.048 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCOC[C@@H]1C ZINC001299898835 1065133792 /nfs/dbraw/zinc/13/37/92/1065133792.db2.gz SYSXVKULNOSSPU-ZWKOTPCHSA-N 1 2 464.010 3.048 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CCOC(C)(C)C)c1 ZINC001299949897 1065224915 /nfs/dbraw/zinc/22/49/15/1065224915.db2.gz IYIQTWMPQRNLQS-UHFFFAOYSA-N 1 2 481.601 3.202 20 0 JGADLO COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCc2cccc(C)[nH+]2)c1 ZINC001299958226 1065237026 /nfs/dbraw/zinc/23/70/26/1065237026.db2.gz RFTHCERFFMQTBL-NRFANRHFSA-N 1 2 450.543 3.351 20 0 JGADLO COc1cc2c(cc1Cn1c(CC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1)O[C@H](C)C2 ZINC001299964919 1065247491 /nfs/dbraw/zinc/24/74/91/1065247491.db2.gz WDGZQMYRPAZRTB-GOSISDBHSA-N 1 2 457.619 3.015 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2CC2(C)CCCC2)cc1C ZINC001492240399 1065338284 /nfs/dbraw/zinc/33/82/84/1065338284.db2.gz KRKRNJHINXNJEQ-UHFFFAOYSA-N 1 2 454.619 3.496 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCSC2(C)C)cc1C ZINC001492240889 1065339363 /nfs/dbraw/zinc/33/93/63/1065339363.db2.gz RUWNAMPDPGXRIF-FQEVSTJZSA-N 1 2 486.686 3.447 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001492275088 1065369839 /nfs/dbraw/zinc/36/98/39/1065369839.db2.gz HZLIGQDJBXZHFE-QUCCMNQESA-N 1 2 458.582 3.052 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001492275088 1065369855 /nfs/dbraw/zinc/36/98/55/1065369855.db2.gz HZLIGQDJBXZHFE-QUCCMNQESA-N 1 2 458.582 3.052 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492329180 1065399827 /nfs/dbraw/zinc/39/98/27/1065399827.db2.gz HAEADEFSAIBDKV-KOUNCHBCSA-N 1 2 457.619 3.138 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1C ZINC001492336316 1065403498 /nfs/dbraw/zinc/40/34/98/1065403498.db2.gz ADWNOHSBKVJTIP-SVFBPWRDSA-N 1 2 497.562 3.351 20 0 JGADLO Cc1ccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1C ZINC001492336316 1065403504 /nfs/dbraw/zinc/40/35/04/1065403504.db2.gz ADWNOHSBKVJTIP-SVFBPWRDSA-N 1 2 497.562 3.351 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001492369196 1065428784 /nfs/dbraw/zinc/42/87/84/1065428784.db2.gz MCRAWWKRGHXWNB-GOSISDBHSA-N 1 2 476.419 3.375 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001492369196 1065428787 /nfs/dbraw/zinc/42/87/87/1065428787.db2.gz MCRAWWKRGHXWNB-GOSISDBHSA-N 1 2 476.419 3.375 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2CCC(C)C)cc1 ZINC001492383487 1065447740 /nfs/dbraw/zinc/44/77/40/1065447740.db2.gz TUJBHWCAFNXWCE-JOCHJYFZSA-N 1 2 468.646 3.345 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CCOc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)cs1 ZINC001492424398 1065483025 /nfs/dbraw/zinc/48/30/25/1065483025.db2.gz IHJQXSCHUJIADO-LJQANCHMSA-N 1 2 470.643 3.178 20 0 JGADLO CO[C@@H]1COCC[C@H]1Cn1c(C(C)C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001300852026 1065597096 /nfs/dbraw/zinc/59/70/96/1065597096.db2.gz BRMWFSQSQHQGHZ-SLFFLAALSA-N 1 2 463.648 3.024 20 0 JGADLO COCC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001300872755 1065646933 /nfs/dbraw/zinc/64/69/33/1065646933.db2.gz LBMIZRJEUXKACH-HXUWFJFHSA-N 1 2 496.587 3.188 20 0 JGADLO COC[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001300958131 1065764764 /nfs/dbraw/zinc/76/47/64/1065764764.db2.gz UELLYCMYPJUBRB-INIZCTEOSA-N 1 2 473.528 3.254 20 0 JGADLO COC[C@H](C)Cn1c(-c2ccc(Br)cc2Cl)nnc1N(C)CC[NH+]1CCOCC1 ZINC001300959269 1065766847 /nfs/dbraw/zinc/76/68/47/1065766847.db2.gz SUCXPBOITIBFQH-OAHLLOKOSA-N 1 2 486.842 3.412 20 0 JGADLO COC[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001300966276 1065775186 /nfs/dbraw/zinc/77/51/86/1065775186.db2.gz MINYGNVGNWLZEV-SFHVURJKSA-N 1 2 456.566 3.036 20 0 JGADLO COC[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001301024594 1065861881 /nfs/dbraw/zinc/86/18/81/1065861881.db2.gz FWPXEBAFILKAKX-OAQYLSRUSA-N 1 2 497.619 3.218 20 0 JGADLO COC[C@@H](Cn1c(N2CC[NH+](CCOc3ccccc3Cl)CC2)nnc1C(C)(C)C)OC ZINC001301032076 1065872590 /nfs/dbraw/zinc/87/25/90/1065872590.db2.gz AYDCQVMZMWKUNL-GOSISDBHSA-N 1 2 466.026 3.091 20 0 JGADLO C[C@@H](C(=O)N[C@@](C)(CO)c1cccc(C(F)(F)F)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001301077981 1065927922 /nfs/dbraw/zinc/92/79/22/1065927922.db2.gz JBNFFQIEXNCHHR-AOMKIAJQSA-N 1 2 453.480 3.379 20 0 JGADLO COC[C@@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNc2cccc[nH+]2)C1 ZINC001301238247 1066055874 /nfs/dbraw/zinc/05/58/74/1066055874.db2.gz PHEPVNSCYDGPRQ-HXUWFJFHSA-N 1 2 498.653 3.499 20 0 JGADLO COC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001301356689 1066145771 /nfs/dbraw/zinc/14/57/71/1066145771.db2.gz GIPNAAUTKBYKOU-QHCPKHFHSA-N 1 2 467.570 3.150 20 0 JGADLO COC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCNc2cccc[nH+]2)C[C@@H](C)O1 ZINC001301396000 1066177011 /nfs/dbraw/zinc/17/70/11/1066177011.db2.gz GKOOZUBZONIDGM-UYAOXDASSA-N 1 2 454.550 3.145 20 0 JGADLO COCCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001301431559 1066229793 /nfs/dbraw/zinc/22/97/93/1066229793.db2.gz WSJHZBUWHBXMNU-FQEVSTJZSA-N 1 2 488.702 3.126 20 0 JGADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cccn2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001301945392 1066231451 /nfs/dbraw/zinc/23/14/51/1066231451.db2.gz SUJXYSILPANCMX-UHFFFAOYSA-N 1 2 492.653 3.306 20 0 JGADLO COCC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001301454275 1066271223 /nfs/dbraw/zinc/27/12/23/1066271223.db2.gz YZELFHBGNOHOAQ-QHCPKHFHSA-N 1 2 458.994 3.036 20 0 JGADLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nnc(-c3cccn3C)n2CCSC(F)(F)F)CC1 ZINC001301984826 1066295278 /nfs/dbraw/zinc/29/52/78/1066295278.db2.gz WDOSNWKHQIJHLJ-INIZCTEOSA-N 1 2 499.607 3.106 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001301990491 1066309151 /nfs/dbraw/zinc/30/91/51/1066309151.db2.gz PPXURUFOBIAIPU-SFHLNBCPSA-N 1 2 493.674 3.141 20 0 JGADLO COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001301990491 1066309165 /nfs/dbraw/zinc/30/91/65/1066309165.db2.gz PPXURUFOBIAIPU-SFHLNBCPSA-N 1 2 493.674 3.141 20 0 JGADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1csc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001301545695 1066375255 /nfs/dbraw/zinc/37/52/55/1066375255.db2.gz IDDKVFUMUPGKLP-INIZCTEOSA-N 1 2 457.556 3.278 20 0 JGADLO C[C@H](C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001302021867 1066375294 /nfs/dbraw/zinc/37/52/94/1066375294.db2.gz NEXSLHKDTIXWEN-NPFVIJTESA-N 1 2 476.390 3.433 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCC(OC(C)C)CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001302030905 1066396589 /nfs/dbraw/zinc/39/65/89/1066396589.db2.gz ZABUBGUQCZCYDZ-VQTJNVASSA-N 1 2 460.623 3.478 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCc3cc(F)cc(F)c3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302042261 1066418409 /nfs/dbraw/zinc/41/84/09/1066418409.db2.gz JOIQFSLXZSUKIZ-INIZCTEOSA-N 1 2 472.540 3.352 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302042260 1066418565 /nfs/dbraw/zinc/41/85/65/1066418565.db2.gz JOAUBUFTSLJNDF-RCCFBDPRSA-N 1 2 479.572 3.125 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302042260 1066418570 /nfs/dbraw/zinc/41/85/70/1066418570.db2.gz JOAUBUFTSLJNDF-RCCFBDPRSA-N 1 2 479.572 3.125 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC[C@@H](OC)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001302055059 1066448537 /nfs/dbraw/zinc/44/85/37/1066448537.db2.gz APOJNSUMMSRUGK-IFMALSPDSA-N 1 2 472.634 3.297 20 0 JGADLO CC(C)(C)c1nnc(N2CCC(CCCO)CC2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001302055191 1066449266 /nfs/dbraw/zinc/44/92/66/1066449266.db2.gz ZGNMWFZJLAEVPX-UHFFFAOYSA-N 1 2 468.690 3.382 20 0 JGADLO CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)c1ccccc1C(F)(F)F ZINC001302058279 1066456220 /nfs/dbraw/zinc/45/62/20/1066456220.db2.gz BJTUEQMOFMDVCT-SJORKVTESA-N 1 2 453.465 3.167 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCCCCC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302066767 1066468701 /nfs/dbraw/zinc/46/87/01/1066468701.db2.gz VTFCAEFNNLKPET-GMAHTHKFSA-N 1 2 457.619 3.456 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCCCCC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302066766 1066468757 /nfs/dbraw/zinc/46/87/57/1066468757.db2.gz VTFCAEFNNLKPET-GGAORHGYSA-N 1 2 457.619 3.456 20 0 JGADLO CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)(C)C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301648534 1066513501 /nfs/dbraw/zinc/51/35/01/1066513501.db2.gz QAYINOGGZLGQEO-YLJYHZDGSA-N 1 2 462.589 3.461 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1Cc1ccc(C)nc1 ZINC001302090770 1066518181 /nfs/dbraw/zinc/51/81/81/1066518181.db2.gz XQQOCAFVVKYPJQ-FQEVSTJZSA-N 1 2 468.577 3.215 20 0 JGADLO CC(C)(C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001302095225 1066524657 /nfs/dbraw/zinc/52/46/57/1066524657.db2.gz CPMCZOJFKVRCGV-UHFFFAOYSA-N 1 2 467.705 3.215 20 0 JGADLO COCCCn1c(COc2ccccc2F)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001301658366 1066527441 /nfs/dbraw/zinc/52/74/41/1066527441.db2.gz WVBSNHQLQBCQHC-UHFFFAOYSA-N 1 2 460.579 3.120 20 0 JGADLO COCCO[C@H](C)c1nnc(Nc2ccn(C)n2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001302119924 1066561101 /nfs/dbraw/zinc/56/11/01/1066561101.db2.gz QESJHJFGDKTYOB-GOSISDBHSA-N 1 2 454.579 3.159 20 0 JGADLO CC(=O)N1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNc2cccc[nH+]2)CC1 ZINC001301704895 1066594181 /nfs/dbraw/zinc/59/41/81/1066594181.db2.gz WWNJGUFMSPNCKG-IFMALSPDSA-N 1 2 469.634 3.153 20 0 JGADLO CC(=O)N1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001301704819 1066594262 /nfs/dbraw/zinc/59/42/62/1066594262.db2.gz WOMOKISTNFGINZ-GOSISDBHSA-N 1 2 493.077 3.003 20 0 JGADLO CC(=O)N1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001301704819 1066594269 /nfs/dbraw/zinc/59/42/69/1066594269.db2.gz WOMOKISTNFGINZ-GOSISDBHSA-N 1 2 493.077 3.003 20 0 JGADLO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC001301714099 1066614942 /nfs/dbraw/zinc/61/49/42/1066614942.db2.gz UWFGVIRDHLLEEG-IRLDBZIGSA-N 1 2 498.672 3.203 20 0 JGADLO CC(C)(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CC(=O)NCC1CC1 ZINC001302173491 1066644036 /nfs/dbraw/zinc/64/40/36/1066644036.db2.gz KJQDMZNJAFWJAH-UHFFFAOYSA-N 1 2 459.038 3.369 20 0 JGADLO CC(C)(C)Cc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001302176087 1066650479 /nfs/dbraw/zinc/65/04/79/1066650479.db2.gz KJELAWFQTJHTPQ-LJQANCHMSA-N 1 2 479.716 3.118 20 0 JGADLO COc1ccc([C@H]2CN(C(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)CC[NH2+]2)cc1 ZINC001302185618 1066663411 /nfs/dbraw/zinc/66/34/11/1066663411.db2.gz VBHCLRIDVMWWPY-XMMPIXPASA-N 1 2 450.560 3.456 20 0 JGADLO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC001301757504 1066690959 /nfs/dbraw/zinc/69/09/59/1066690959.db2.gz VABDYULLXRSCJY-HXUWFJFHSA-N 1 2 486.686 3.047 20 0 JGADLO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC001301757681 1066691713 /nfs/dbraw/zinc/69/17/13/1066691713.db2.gz BSHQILSALLVNNV-VXKWHMMOSA-N 1 2 498.672 3.067 20 0 JGADLO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC001301757681 1066691720 /nfs/dbraw/zinc/69/17/20/1066691720.db2.gz BSHQILSALLVNNV-VXKWHMMOSA-N 1 2 498.672 3.067 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCCO3)nnc2N(Cc2ccc(F)cc2)C(C)C)CC1 ZINC001301766034 1066707288 /nfs/dbraw/zinc/70/72/88/1066707288.db2.gz AXBHPWWJQFWXIF-HSZRJFAPSA-N 1 2 472.609 3.238 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001301769317 1066713043 /nfs/dbraw/zinc/71/30/43/1066713043.db2.gz AKRWKOORKYZVKJ-UHFFFAOYSA-N 1 2 481.439 3.023 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001301769430 1066713063 /nfs/dbraw/zinc/71/30/63/1066713063.db2.gz BYPHRTPKIINKNA-GOSISDBHSA-N 1 2 474.600 3.184 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2C[C@H](c3ccccc3)C[C@@H]2C)CC1 ZINC001301771366 1066714689 /nfs/dbraw/zinc/71/46/89/1066714689.db2.gz UDGQGMAXRALJLJ-NZQKXSOJSA-N 1 2 452.647 3.413 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N(Cc2ccco2)C(C)C)CC1 ZINC001301775997 1066721722 /nfs/dbraw/zinc/72/17/22/1066721722.db2.gz VFQKZRLMJFORTD-UHFFFAOYSA-N 1 2 464.614 3.235 20 0 JGADLO COCCN(Cc1ccco1)c1nnc(C(C)(C)C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001301788857 1066739072 /nfs/dbraw/zinc/73/90/72/1066739072.db2.gz MVANOJVEMIUXSG-UHFFFAOYSA-N 1 2 454.575 3.102 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(F)(F)F)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001302248107 1066780026 /nfs/dbraw/zinc/78/00/26/1066780026.db2.gz MADCYQHBDIUOBU-ACRUOGEOSA-N 1 2 497.562 3.383 20 0 JGADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301824023 1066786792 /nfs/dbraw/zinc/78/67/92/1066786792.db2.gz KKVOWAVDUIQKHW-UIFIKXQLSA-N 1 2 476.572 3.206 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2OC)n1Cc1c[nH+]ccc1OC ZINC001302253799 1066794827 /nfs/dbraw/zinc/79/48/27/1066794827.db2.gz MYDFQDHNJPZKJE-AVRDEDQJSA-N 1 2 453.543 3.099 20 0 JGADLO CC(=O)N[C@H]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301833994 1066801485 /nfs/dbraw/zinc/80/14/85/1066801485.db2.gz WNLGFQBBWFESPW-XLIONFOSSA-N 1 2 493.077 3.049 20 0 JGADLO COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001301836931 1066808403 /nfs/dbraw/zinc/80/84/03/1066808403.db2.gz UPXHRQPBSAIIHX-UHFFFAOYSA-N 1 2 453.566 3.203 20 0 JGADLO COCCn1c(CSc2ccccc2OC)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001301842868 1066813715 /nfs/dbraw/zinc/81/37/15/1066813715.db2.gz CWCGKRKJLVIYLK-UHFFFAOYSA-N 1 2 454.600 3.249 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(Cl)=C(Cl)C2)n1Cc1c[nH+]ccc1OC ZINC001302283625 1066852927 /nfs/dbraw/zinc/85/29/27/1066852927.db2.gz GSIWOCTXKBOFLN-UGSOOPFHSA-N 1 2 454.358 3.353 20 0 JGADLO CC(=O)NCC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC001301871462 1066865425 /nfs/dbraw/zinc/86/54/25/1066865425.db2.gz CBIDJROGIWAKMF-QHCPKHFHSA-N 1 2 468.646 3.002 20 0 JGADLO COCC[NH+]1CCN(c2nnc(-c3cc4ccccc4o3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001301884392 1066892767 /nfs/dbraw/zinc/89/27/67/1066892767.db2.gz BDJVASUDNLGJOO-YTTGMZPUSA-N 1 2 459.616 3.007 20 0 JGADLO CON(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001302356722 1066948933 /nfs/dbraw/zinc/94/89/33/1066948933.db2.gz ANKYJJAZTMRBBJ-IBGZPJMESA-N 1 2 452.559 3.140 20 0 JGADLO CC(C)C(=O)NC1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001302431418 1067019398 /nfs/dbraw/zinc/01/93/98/1067019398.db2.gz NQDCLKUUZFVTKO-UHFFFAOYSA-N 1 2 475.641 3.314 20 0 JGADLO CC1=C(Br)CN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001304003967 1067046249 /nfs/dbraw/zinc/04/62/49/1067046249.db2.gz GEIIWXLTJOCLPW-QGZVFWFLSA-N 1 2 454.413 3.119 20 0 JGADLO CC1=C(Br)CN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001304003967 1067046261 /nfs/dbraw/zinc/04/62/61/1067046261.db2.gz GEIIWXLTJOCLPW-QGZVFWFLSA-N 1 2 454.413 3.119 20 0 JGADLO Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)c1C ZINC001304011284 1067053882 /nfs/dbraw/zinc/05/38/82/1067053882.db2.gz RBHPAORBWIDTIG-UHFFFAOYSA-N 1 2 454.619 3.132 20 0 JGADLO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001302456158 1067057603 /nfs/dbraw/zinc/05/76/03/1067057603.db2.gz RFDLTADOWCBOMB-VQTJNVASSA-N 1 2 478.588 3.309 20 0 JGADLO CC(C)C(=O)NCCn1c(CC(C)(C)C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001302468392 1067072225 /nfs/dbraw/zinc/07/22/25/1067072225.db2.gz DULMVMFFBFEGEN-LJQANCHMSA-N 1 2 476.691 3.210 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCS(C)(=O)=O)c1C ZINC001304031596 1067079636 /nfs/dbraw/zinc/07/96/36/1067079636.db2.gz VTHPQTDGQVQXRE-OAQYLSRUSA-N 1 2 477.675 3.248 20 0 JGADLO Cc1nc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(N(C)C)[nH+]c3)C2)sc1C ZINC001304044106 1067086774 /nfs/dbraw/zinc/08/67/74/1067086774.db2.gz CIFJAYBVUWOWSL-LJQANCHMSA-N 1 2 482.658 3.383 20 0 JGADLO Cc1nc(CCn2c(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)sc1C ZINC001304048760 1067091539 /nfs/dbraw/zinc/09/15/39/1067091539.db2.gz BGPAHELAHXWCCA-OAQYLSRUSA-N 1 2 489.734 3.123 20 0 JGADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C ZINC001304090122 1067133881 /nfs/dbraw/zinc/13/38/81/1067133881.db2.gz ATGJDMAKIXNZGJ-HXUWFJFHSA-N 1 2 450.499 3.126 20 0 JGADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C ZINC001304090122 1067133891 /nfs/dbraw/zinc/13/38/91/1067133891.db2.gz ATGJDMAKIXNZGJ-HXUWFJFHSA-N 1 2 450.499 3.126 20 0 JGADLO Cc1c(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)cnn1C ZINC001304089338 1067133979 /nfs/dbraw/zinc/13/39/79/1067133979.db2.gz VUVWVHIWJHWORC-UTKZUKDTSA-N 1 2 473.572 3.432 20 0 JGADLO CC(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)NC(=O)OC(C)(C)C ZINC001302522915 1067142861 /nfs/dbraw/zinc/14/28/61/1067142861.db2.gz GRXXZGDGZYJIQH-PZJWPPBQSA-N 1 2 499.660 3.355 20 0 JGADLO Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001304135715 1067174211 /nfs/dbraw/zinc/17/42/11/1067174211.db2.gz ITRZUNQHQAXJAQ-UHFFFAOYSA-N 1 2 484.608 3.465 20 0 JGADLO CS[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001302556365 1067194642 /nfs/dbraw/zinc/19/46/42/1067194642.db2.gz XSSLFZAWNKXHJV-KRWDZBQOSA-N 1 2 453.620 3.035 20 0 JGADLO CS[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001302560226 1067200548 /nfs/dbraw/zinc/20/05/48/1067200548.db2.gz BZWFXQUHMWHYJC-LEWJYISDSA-N 1 2 470.687 3.062 20 0 JGADLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)C2)c1 ZINC001302563516 1067203027 /nfs/dbraw/zinc/20/30/27/1067203027.db2.gz XKXZCMLHIHDZIU-NOZRDPDXSA-N 1 2 451.611 3.465 20 0 JGADLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)C2)c1 ZINC001302563516 1067203034 /nfs/dbraw/zinc/20/30/34/1067203034.db2.gz XKXZCMLHIHDZIU-NOZRDPDXSA-N 1 2 451.611 3.465 20 0 JGADLO CC(C)c1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302566789 1067206310 /nfs/dbraw/zinc/20/63/10/1067206310.db2.gz DKIZTDRJNTUNOP-MQEZQYLSSA-N 1 2 476.666 3.489 20 0 JGADLO CC(C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302572105 1067211730 /nfs/dbraw/zinc/21/17/30/1067211730.db2.gz PIEBZCBNKRXWPN-UHFFFAOYSA-N 1 2 489.690 3.085 20 0 JGADLO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@](C)(O)c1ccco1 ZINC001302573848 1067213314 /nfs/dbraw/zinc/21/33/14/1067213314.db2.gz UGGJIKYIVIXEJV-FDDCHVKYSA-N 1 2 459.616 3.473 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)CCC3CCOCC3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001304169657 1067217591 /nfs/dbraw/zinc/21/75/91/1067217591.db2.gz YAWOIPSDYOHXHV-JOCHJYFZSA-N 1 2 471.646 3.448 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)CCC3CCOCC3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001304169657 1067217597 /nfs/dbraw/zinc/21/75/97/1067217597.db2.gz YAWOIPSDYOHXHV-JOCHJYFZSA-N 1 2 471.646 3.448 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCC(CCCO)CC3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001304174285 1067222495 /nfs/dbraw/zinc/22/24/95/1067222495.db2.gz CFWLEZNJJVWRSO-QFIPXVFZSA-N 1 2 471.646 3.184 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCC(CCCO)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001304174285 1067222501 /nfs/dbraw/zinc/22/25/01/1067222501.db2.gz CFWLEZNJJVWRSO-QFIPXVFZSA-N 1 2 471.646 3.184 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001304183552 1067234211 /nfs/dbraw/zinc/23/42/11/1067234211.db2.gz WMMSHOQJYDCIFQ-LEWJYISDSA-N 1 2 457.619 3.198 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001304183552 1067234223 /nfs/dbraw/zinc/23/42/23/1067234223.db2.gz WMMSHOQJYDCIFQ-LEWJYISDSA-N 1 2 457.619 3.198 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001304183554 1067234244 /nfs/dbraw/zinc/23/42/44/1067234244.db2.gz WMMSHOQJYDCIFQ-RTWAWAEBSA-N 1 2 457.619 3.198 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCOC(C)(C)[C@@H]3C)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001304183554 1067234255 /nfs/dbraw/zinc/23/42/55/1067234255.db2.gz WMMSHOQJYDCIFQ-RTWAWAEBSA-N 1 2 457.619 3.198 20 0 JGADLO CSC1(Cn2c(-c3cccc(Cl)c3)nnc2N(C)CC[NH+]2CCOCC2)CCOCC1 ZINC001302597620 1067234305 /nfs/dbraw/zinc/23/43/05/1067234305.db2.gz MSQVEMBHVPNADS-UHFFFAOYSA-N 1 2 466.051 3.279 20 0 JGADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCOCC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001304231801 1067268955 /nfs/dbraw/zinc/26/89/55/1067268955.db2.gz AQZRGCSKDKBVEZ-HXUWFJFHSA-N 1 2 478.037 3.199 20 0 JGADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCCOCC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001304231801 1067268959 /nfs/dbraw/zinc/26/89/59/1067268959.db2.gz AQZRGCSKDKBVEZ-HXUWFJFHSA-N 1 2 478.037 3.199 20 0 JGADLO Cc1cc(F)cc2c1CN(c1nnc(C(=O)NC(C)C)n1CCCNc1cccc[nH+]1)CC2 ZINC001304234084 1067273146 /nfs/dbraw/zinc/27/31/46/1067273146.db2.gz RHHOAJNPLIHIHW-UHFFFAOYSA-N 1 2 451.550 3.324 20 0 JGADLO CSc1ccc(F)cc1Cn1c(-c2cccc(C)n2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001302649019 1067276571 /nfs/dbraw/zinc/27/65/71/1067276571.db2.gz HBBVEZVFXCPDCL-UHFFFAOYSA-N 1 2 456.591 3.326 20 0 JGADLO Cc1cc(N2CCN(c3nnc(Cc4ccc(F)cc4)n3CC(C)(C)O)CC2)nc(C(C)C)[nH+]1 ZINC001304245916 1067281578 /nfs/dbraw/zinc/28/15/78/1067281578.db2.gz SPQVGWSREIIBSN-UHFFFAOYSA-N 1 2 467.593 3.327 20 0 JGADLO Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)[NH+]3CCOCC3)CC2)s1 ZINC001304260087 1067294551 /nfs/dbraw/zinc/29/45/51/1067294551.db2.gz OIRLBXAXLSXINZ-KRWDZBQOSA-N 1 2 474.675 3.065 20 0 JGADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001304275993 1067314251 /nfs/dbraw/zinc/31/42/51/1067314251.db2.gz ZTYFTHVHMYWUOV-SFTDATJTSA-N 1 2 457.619 3.235 20 0 JGADLO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C)C3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001304275993 1067314264 /nfs/dbraw/zinc/31/42/64/1067314264.db2.gz ZTYFTHVHMYWUOV-SFTDATJTSA-N 1 2 457.619 3.235 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCC(=O)NC(C)C)c1 ZINC001304287658 1067330387 /nfs/dbraw/zinc/33/03/87/1067330387.db2.gz IQKCLZYEORJVAW-UHFFFAOYSA-N 1 2 491.640 3.412 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302727838 1067343718 /nfs/dbraw/zinc/34/37/18/1067343718.db2.gz UJFSSKANZRXLNE-DLBZAZTESA-N 1 2 453.603 3.446 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCOC[C@H]1C ZINC001302727838 1067343730 /nfs/dbraw/zinc/34/37/30/1067343730.db2.gz UJFSSKANZRXLNE-DLBZAZTESA-N 1 2 453.603 3.446 20 0 JGADLO CSCC[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302727839 1067343749 /nfs/dbraw/zinc/34/37/49/1067343749.db2.gz UJFSSKANZRXLNE-IAGOWNOFSA-N 1 2 453.603 3.446 20 0 JGADLO CSCC[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@H+]1CCOC[C@H]1C ZINC001302727839 1067343758 /nfs/dbraw/zinc/34/37/58/1067343758.db2.gz UJFSSKANZRXLNE-IAGOWNOFSA-N 1 2 453.603 3.446 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@@H]2C)o1 ZINC001304296601 1067345789 /nfs/dbraw/zinc/34/57/89/1067345789.db2.gz RZBKVERYZYVTOZ-SFHVURJKSA-N 1 2 466.586 3.259 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@@H]2C)o1 ZINC001304296601 1067345802 /nfs/dbraw/zinc/34/58/02/1067345802.db2.gz RZBKVERYZYVTOZ-SFHVURJKSA-N 1 2 466.586 3.259 20 0 JGADLO Cc1noc(C)c1Cn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001304304778 1067352734 /nfs/dbraw/zinc/35/27/34/1067352734.db2.gz RKJMNXLNZWKCSF-UHFFFAOYSA-N 1 2 489.418 3.438 20 0 JGADLO Cc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)o1 ZINC001304309581 1067357150 /nfs/dbraw/zinc/35/71/50/1067357150.db2.gz FMYLGVSZXXQCKH-GAJHUEQPSA-N 1 2 458.513 3.129 20 0 JGADLO CSCCCCn1c(Cc2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001302767558 1067366811 /nfs/dbraw/zinc/36/68/11/1067366811.db2.gz MLXLGKKDSAAKJL-QFIPXVFZSA-N 1 2 484.714 3.453 20 0 JGADLO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CCS1 ZINC001302779002 1067374743 /nfs/dbraw/zinc/37/47/43/1067374743.db2.gz LYWMMLFTRVDSMI-GIVPXCGWSA-N 1 2 495.690 3.200 20 0 JGADLO Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC[NH+]2CCOCC2)cn1 ZINC001304349541 1067391079 /nfs/dbraw/zinc/39/10/79/1067391079.db2.gz MZTMBNAROJNQHH-UHFFFAOYSA-N 1 2 458.513 3.067 20 0 JGADLO Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N(C)CC[NH+]2CCOCC2)c(OCC(F)(F)F)c1 ZINC001304366704 1067406139 /nfs/dbraw/zinc/40/61/39/1067406139.db2.gz GSGGDBJFCPCYSC-LJQANCHMSA-N 1 2 483.535 3.196 20 0 JGADLO Cc1ccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC[NH+]2CCOCC2)c(F)c1 ZINC001304368132 1067408443 /nfs/dbraw/zinc/40/84/43/1067408443.db2.gz XAAXLWISQDCCDA-IFMALSPDSA-N 1 2 459.610 3.461 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001304374819 1067413913 /nfs/dbraw/zinc/41/39/13/1067413913.db2.gz FMTBCNFMLKDJER-DEOSSOPVSA-N 1 2 498.672 3.367 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCOCC2)cc1C ZINC001304375707 1067415795 /nfs/dbraw/zinc/41/57/95/1067415795.db2.gz OYLXJXOXSFOEKM-JOCHJYFZSA-N 1 2 484.645 3.263 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CC[C@H](F)C2)cc1C ZINC001304376118 1067416725 /nfs/dbraw/zinc/41/67/25/1067416725.db2.gz SWDCDABNLRQYPE-UXHICEINSA-N 1 2 458.582 3.054 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CC=CCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001304378021 1067421397 /nfs/dbraw/zinc/42/13/97/1067421397.db2.gz KTBMEKOYHCTDPY-QFIPXVFZSA-N 1 2 452.603 3.270 20 0 JGADLO CC(C)Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CC(=O)NC1CCCCC1 ZINC001302840863 1067427445 /nfs/dbraw/zinc/42/74/45/1067427445.db2.gz ZXLLEANSCBVAPG-NRFANRHFSA-N 1 2 488.702 3.497 20 0 JGADLO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)[nH+]c2)CCN1C(=O)OC(C)(C)C ZINC001302860272 1067442830 /nfs/dbraw/zinc/44/28/30/1067442830.db2.gz SFCKOJXTASVOOQ-UYAOXDASSA-N 1 2 485.633 3.127 20 0 JGADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 ZINC001302866766 1067447810 /nfs/dbraw/zinc/44/78/10/1067447810.db2.gz QADITUCGOXOGQG-TZIWHRDSSA-N 1 2 459.660 3.012 20 0 JGADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 ZINC001302866766 1067447814 /nfs/dbraw/zinc/44/78/14/1067447814.db2.gz QADITUCGOXOGQG-TZIWHRDSSA-N 1 2 459.660 3.012 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)cc1C ZINC001304397885 1067459671 /nfs/dbraw/zinc/45/96/71/1067459671.db2.gz STKLKZQQCUAHFY-UHFFFAOYSA-N 1 2 491.640 3.478 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)Cc3cscn3)n2C[C@H](C)[NH+]2CCOCC2)cc1C ZINC001304398028 1067460144 /nfs/dbraw/zinc/46/01/44/1067460144.db2.gz QBKXDTSBXGJXDM-IBGZPJMESA-N 1 2 456.616 3.288 20 0 JGADLO Cc1ncc(CN(C)c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCOC[C@H]2C)s1 ZINC001304398939 1067461437 /nfs/dbraw/zinc/46/14/37/1067461437.db2.gz YXHFSDBYRWQVDN-GOSISDBHSA-N 1 2 456.616 3.288 20 0 JGADLO Cc1ncc(CN(C)c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)s1 ZINC001304398939 1067461439 /nfs/dbraw/zinc/46/14/39/1067461439.db2.gz YXHFSDBYRWQVDN-GOSISDBHSA-N 1 2 456.616 3.288 20 0 JGADLO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302880512 1067462028 /nfs/dbraw/zinc/46/20/28/1067462028.db2.gz SGIHGOQORGNOBJ-YADARESESA-N 1 2 459.610 3.286 20 0 JGADLO CC(C)Cc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302880512 1067462031 /nfs/dbraw/zinc/46/20/31/1067462031.db2.gz SGIHGOQORGNOBJ-YADARESESA-N 1 2 459.610 3.286 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1C ZINC001304402262 1067464209 /nfs/dbraw/zinc/46/42/09/1067464209.db2.gz RCQUXCNARBTLNC-NRFANRHFSA-N 1 2 450.587 3.456 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CSCCS2)cc1C ZINC001304402888 1067464729 /nfs/dbraw/zinc/46/47/29/1067464729.db2.gz BDBXIYKRQFFPSL-NRFANRHFSA-N 1 2 477.700 3.091 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CC[C@H]2CCO[C@@H](C)C2)cc1 ZINC001304404377 1067466817 /nfs/dbraw/zinc/46/68/17/1067466817.db2.gz QXCUKIZMMVCEDG-VXKWHMMOSA-N 1 2 457.619 3.139 20 0 JGADLO CC(C)Cc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302892310 1067472563 /nfs/dbraw/zinc/47/25/63/1067472563.db2.gz FOLPUUADVZZDLV-NRFANRHFSA-N 1 2 499.660 3.108 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCCNc2cccc[nH+]2)cc1C ZINC001304408612 1067473500 /nfs/dbraw/zinc/47/35/00/1067473500.db2.gz UPZLVQHEQQQSKO-RUZDIDTESA-N 1 2 463.586 3.073 20 0 JGADLO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@H](C)O1 ZINC001302893816 1067474874 /nfs/dbraw/zinc/47/48/74/1067474874.db2.gz DBDPYYIAJJHZLX-LLGFUMIMSA-N 1 2 456.541 3.459 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001304423926 1067500703 /nfs/dbraw/zinc/50/07/03/1067500703.db2.gz BBMCYCZYFPIKRQ-UNMCSNQZSA-N 1 2 457.619 3.138 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001304423926 1067500714 /nfs/dbraw/zinc/50/07/14/1067500714.db2.gz BBMCYCZYFPIKRQ-UNMCSNQZSA-N 1 2 457.619 3.138 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001304423924 1067500733 /nfs/dbraw/zinc/50/07/33/1067500733.db2.gz BBMCYCZYFPIKRQ-IRLDBZIGSA-N 1 2 457.619 3.138 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001304423924 1067500741 /nfs/dbraw/zinc/50/07/41/1067500741.db2.gz BBMCYCZYFPIKRQ-IRLDBZIGSA-N 1 2 457.619 3.138 20 0 JGADLO Cc1ccc(SCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001304433331 1067512178 /nfs/dbraw/zinc/51/21/78/1067512178.db2.gz DIHBBWRYDDREAA-SFHVURJKSA-N 1 2 465.627 3.055 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCN(C)c1ccccc1 ZINC001302945745 1067518745 /nfs/dbraw/zinc/51/87/45/1067518745.db2.gz JFWLJZRNYCTKSC-HSZRJFAPSA-N 1 2 481.689 3.136 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C/C=C/c1ccccc1 ZINC001302948607 1067522285 /nfs/dbraw/zinc/52/22/85/1067522285.db2.gz YTXUWIKZJBDCNI-FQTAANOTSA-N 1 2 450.631 3.323 20 0 JGADLO Cc1cccc([C@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@H](C)CC(N)=O)[NH+]2CCOCC2)c1 ZINC001304442462 1067523808 /nfs/dbraw/zinc/52/38/08/1067523808.db2.gz KWIXFIHUNSHZFX-KNQAVFIVSA-N 1 2 482.654 3.012 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCC[C@@H]1CCCCO1 ZINC001302965349 1067535285 /nfs/dbraw/zinc/53/52/85/1067535285.db2.gz RHGPQJQNRGKXOY-ZEQRLZLVSA-N 1 2 476.710 3.057 20 0 JGADLO Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccccc2C(F)(F)F)n1 ZINC001304459268 1067538860 /nfs/dbraw/zinc/53/88/60/1067538860.db2.gz GFZZFCXTNBENDM-UHFFFAOYSA-N 1 2 460.504 3.484 20 0 JGADLO Cc1cccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCCNc2cccc[nH+]2)n1 ZINC001304478427 1067556961 /nfs/dbraw/zinc/55/69/61/1067556961.db2.gz DGMLKBLZLAZWEV-UHFFFAOYSA-N 1 2 462.602 3.240 20 0 JGADLO Cc1cccc(-c2nnc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)n2CCCC(=O)N(C)C)n1 ZINC001304479838 1067559388 /nfs/dbraw/zinc/55/93/88/1067559388.db2.gz DCTOLOGEDJTIAB-UHFFFAOYSA-N 1 2 482.032 3.493 20 0 JGADLO Cc1cccc(CCCn2c(-c3cnn(C)c3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)[nH+]1 ZINC001304482398 1067562017 /nfs/dbraw/zinc/56/20/17/1067562017.db2.gz OPEVSKKILDRIHQ-KRWDZBQOSA-N 1 2 462.524 3.088 20 0 JGADLO Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3cc(F)cc(F)c3C2)[nH+]1 ZINC001304483105 1067562321 /nfs/dbraw/zinc/56/23/21/1067562321.db2.gz UILRLVNZGOQOQH-INIZCTEOSA-N 1 2 490.580 3.065 20 0 JGADLO CC(C)CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001303010161 1067564813 /nfs/dbraw/zinc/56/48/13/1067564813.db2.gz KURWVGPZSWZTMB-KDYSTLNUSA-N 1 2 499.704 3.040 20 0 JGADLO Cc1cccc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](C(N)=O)C2)[nH+]1 ZINC001304486159 1067564850 /nfs/dbraw/zinc/56/48/50/1067564850.db2.gz KCQVZRLWIKTEDC-KRWDZBQOSA-N 1 2 454.525 3.185 20 0 JGADLO Cc1cccc(CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](C)(C(N)=O)C2)[nH+]1 ZINC001304487256 1067565561 /nfs/dbraw/zinc/56/55/61/1067565561.db2.gz WGPLQJQBSZNVPZ-DEOSSOPVSA-N 1 2 454.525 3.185 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3CCOC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001304487056 1067565587 /nfs/dbraw/zinc/56/55/87/1067565587.db2.gz ROIGFZUGMWWYIM-UYAOXDASSA-N 1 2 456.591 3.222 20 0 JGADLO Cc1cccc(CCCn2c([C@H]3COc4ccccc4O3)nnc2N(C)CCNC(=O)C(C)C)[nH+]1 ZINC001304487052 1067565719 /nfs/dbraw/zinc/56/57/19/1067565719.db2.gz RLJAXLQYFJAURH-HSZRJFAPSA-N 1 2 478.597 3.335 20 0 JGADLO Cc1cccc(CCCn2c(Cc3ccncc3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)[nH+]1 ZINC001304489127 1067567763 /nfs/dbraw/zinc/56/77/63/1067567763.db2.gz VRMSERKCEHULGG-QHCPKHFHSA-N 1 2 461.614 3.341 20 0 JGADLO NC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCNc2cccc[nH+]2)C1 ZINC001303022791 1067574679 /nfs/dbraw/zinc/57/46/79/1067574679.db2.gz PATNZAKTIPGTEL-OAHLLOKOSA-N 1 2 457.941 3.337 20 0 JGADLO Cc1cccc(OCc2nnc(N(C)CC3CC(F)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304502341 1067576657 /nfs/dbraw/zinc/57/66/57/1067576657.db2.gz PKIODRZOLJHIAW-UHFFFAOYSA-N 1 2 458.626 3.376 20 0 JGADLO Cc1cccc(OCc2nnc(N(C)CC3CC(F)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304502341 1067576663 /nfs/dbraw/zinc/57/66/63/1067576663.db2.gz PKIODRZOLJHIAW-UHFFFAOYSA-N 1 2 458.626 3.376 20 0 JGADLO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001304502349 1067576721 /nfs/dbraw/zinc/57/67/21/1067576721.db2.gz GXHIYAZMWFKMFP-CTNGQTDRSA-N 1 2 489.667 3.153 20 0 JGADLO Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001304502351 1067576742 /nfs/dbraw/zinc/57/67/42/1067576742.db2.gz GXHIYAZMWFKMFP-FPOVZHCZSA-N 1 2 489.667 3.153 20 0 JGADLO Cc1cccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001304507168 1067580833 /nfs/dbraw/zinc/58/08/33/1067580833.db2.gz IJWFKJGLICPURF-BJLQDIEVSA-N 1 2 483.535 3.042 20 0 JGADLO Cc1cccc(OCc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001304507168 1067580838 /nfs/dbraw/zinc/58/08/38/1067580838.db2.gz IJWFKJGLICPURF-BJLQDIEVSA-N 1 2 483.535 3.042 20 0 JGADLO CC(C)CCCn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001303041977 1067586191 /nfs/dbraw/zinc/58/61/91/1067586191.db2.gz ZYUWPTMFWXPZCU-FQEVSTJZSA-N 1 2 458.676 3.500 20 0 JGADLO Cc1ccccc1-c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001304527281 1067599646 /nfs/dbraw/zinc/59/96/46/1067599646.db2.gz ZTTUOVBSWHEXPF-FQEVSTJZSA-N 1 2 472.634 3.277 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001304532870 1067604046 /nfs/dbraw/zinc/60/40/46/1067604046.db2.gz ZLZOKNJXEUGWJB-PMACEKPBSA-N 1 2 489.686 3.155 20 0 JGADLO Cc1ccccc1-c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCOC(C)C ZINC001304536855 1067608171 /nfs/dbraw/zinc/60/81/71/1067608171.db2.gz IPLZPVPWHGGNIX-QFIPXVFZSA-N 1 2 468.646 3.202 20 0 JGADLO O=C(C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCOCC(F)F)CC1)N1CCCC1 ZINC001303080551 1067614397 /nfs/dbraw/zinc/61/43/97/1067614397.db2.gz UIKAMRVJARNACW-UHFFFAOYSA-N 1 2 496.990 3.015 20 0 JGADLO Cc1cn2c([nH+]1)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1)CCC2 ZINC001304607152 1067674226 /nfs/dbraw/zinc/67/42/26/1067674226.db2.gz UEBZMZYPWFFFBG-JKSUJKDBSA-N 1 2 453.513 3.278 20 0 JGADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CCCc3ccccc3)nnc1N(C)CCS(C)(=O)=O)CCC2 ZINC001304610082 1067677457 /nfs/dbraw/zinc/67/74/57/1067677457.db2.gz YMVYOLUTBWBCAK-OAQYLSRUSA-N 1 2 470.643 3.017 20 0 JGADLO Cc1cnc([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304612966 1067680470 /nfs/dbraw/zinc/68/04/70/1067680470.db2.gz IJFVVZHEKRZAMO-QGZVFWFLSA-N 1 2 458.607 3.345 20 0 JGADLO CC(C)CN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1)C(C)C ZINC001303147741 1067686211 /nfs/dbraw/zinc/68/62/11/1067686211.db2.gz XOJLCTZZHOHQLE-FQEVSTJZSA-N 1 2 491.706 3.439 20 0 JGADLO Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC001304626574 1067697395 /nfs/dbraw/zinc/69/73/95/1067697395.db2.gz ZOMSXUHGNKJSOV-FQEVSTJZSA-N 1 2 483.642 3.289 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)(F)F)c2)CC1 ZINC001303191930 1067726450 /nfs/dbraw/zinc/72/64/50/1067726450.db2.gz KESAEUHMMWOMIT-GOSISDBHSA-N 1 2 485.576 3.025 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CCOc3ccccc3C)n2C[C@@H](C)[NH+]2CCOCC2)cs1 ZINC001304660037 1067728056 /nfs/dbraw/zinc/72/80/56/1067728056.db2.gz RYIOCRKXBCBPAD-LJQANCHMSA-N 1 2 470.643 3.178 20 0 JGADLO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C)C1=O ZINC001303195886 1067729193 /nfs/dbraw/zinc/72/91/93/1067729193.db2.gz FKEJQCYHEAMDJD-VWNXMTODSA-N 1 2 496.700 3.461 20 0 JGADLO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C)C1=O ZINC001303195886 1067729197 /nfs/dbraw/zinc/72/91/97/1067729197.db2.gz FKEJQCYHEAMDJD-VWNXMTODSA-N 1 2 496.700 3.461 20 0 JGADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)CC[C@@H]2C)C1 ZINC001303201900 1067737850 /nfs/dbraw/zinc/73/78/50/1067737850.db2.gz RDVXRANBSUVPNB-ONTIZHBOSA-N 1 2 489.686 3.330 20 0 JGADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)CC[C@@H]2C)C1 ZINC001303201900 1067737855 /nfs/dbraw/zinc/73/78/55/1067737855.db2.gz RDVXRANBSUVPNB-ONTIZHBOSA-N 1 2 489.686 3.330 20 0 JGADLO CC(C)COC(=O)N1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001303206263 1067743812 /nfs/dbraw/zinc/74/38/12/1067743812.db2.gz AZXWKZAMAFYXGL-UHFFFAOYSA-N 1 2 466.590 3.087 20 0 JGADLO Cc1nc(N2CCN(c3nnc(C(C)C)n3C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc[nH+]1 ZINC001304700485 1067771129 /nfs/dbraw/zinc/77/11/29/1067771129.db2.gz SLYBTRKZXVJTAV-HXUWFJFHSA-N 1 2 484.649 3.474 20 0 JGADLO Cc1nc(N2CCN(c3nnc([C@H]4C[C@@H](NC(=O)OC(C)(C)C)C4)n3CC(F)(F)F)CC2)cc[nH+]1 ZINC001304701193 1067771711 /nfs/dbraw/zinc/77/17/11/1067771711.db2.gz AMNRIYFUFBWICF-IYBDPMFKSA-N 1 2 496.538 3.036 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C/C=C\c3ccccc3)CC2)s1 ZINC001304701045 1067771891 /nfs/dbraw/zinc/77/18/91/1067771891.db2.gz YKZOTQNGUWJOIW-YFHOEESVSA-N 1 2 465.627 3.217 20 0 JGADLO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001304712099 1067783197 /nfs/dbraw/zinc/78/31/97/1067783197.db2.gz HOIFMYKWRLTWLD-FXAWDEMLSA-N 1 2 485.608 3.265 20 0 JGADLO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[N@H+]1CCOC[C@@H]1C ZINC001304712099 1067783206 /nfs/dbraw/zinc/78/32/06/1067783206.db2.gz HOIFMYKWRLTWLD-FXAWDEMLSA-N 1 2 485.608 3.265 20 0 JGADLO CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1cccc[nH+]1 ZINC001303289601 1067814527 /nfs/dbraw/zinc/81/45/27/1067814527.db2.gz WWQYCAOQKCJFQD-GOSISDBHSA-N 1 2 458.588 3.085 20 0 JGADLO CC(C)[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001303312096 1067841446 /nfs/dbraw/zinc/84/14/46/1067841446.db2.gz YRMLONGVJATNMY-KRWDZBQOSA-N 1 2 452.024 3.096 20 0 JGADLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)CN2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC001303314559 1067842733 /nfs/dbraw/zinc/84/27/33/1067842733.db2.gz VQPIXCUPBWAXOX-QHCPKHFHSA-N 1 2 455.574 3.497 20 0 JGADLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)CC1 ZINC001303314852 1067843355 /nfs/dbraw/zinc/84/33/55/1067843355.db2.gz YGWGFRKNBSUNFQ-PIBDYAPNSA-N 1 2 461.578 3.447 20 0 JGADLO CC(C)N1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccc4)n3CCOCC(F)(F)C(F)F)C2)CC1 ZINC001303317049 1067845407 /nfs/dbraw/zinc/84/54/07/1067845407.db2.gz OFXDNOPDRPSIEC-HXUWFJFHSA-N 1 2 498.569 3.467 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCC[C@@H]3CCCCO3)CC2)C1 ZINC001303317718 1067846955 /nfs/dbraw/zinc/84/69/55/1067846955.db2.gz BNNLGKVMSFFNNR-XZOQPEGZSA-N 1 2 476.710 3.156 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCC[C@H]3CCCCO3)CC2)C1 ZINC001303317715 1067847103 /nfs/dbraw/zinc/84/71/03/1067847103.db2.gz BNNLGKVMSFFNNR-DHIUTWEWSA-N 1 2 476.710 3.156 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CC[C@H](F)C3)CC2)C1 ZINC001303317773 1067847514 /nfs/dbraw/zinc/84/75/14/1067847514.db2.gz CSCPLIPOECGZHT-FDFHNCONSA-N 1 2 464.674 3.236 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1Cc1ccccc1 ZINC001303330735 1067859989 /nfs/dbraw/zinc/85/99/89/1067859989.db2.gz RGBADQWBNYKVEV-HXUWFJFHSA-N 1 2 468.627 3.036 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001303337751 1067867377 /nfs/dbraw/zinc/86/73/77/1067867377.db2.gz UKUTYVXWNAXBQM-GMAHTHKFSA-N 1 2 466.630 3.110 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)C[C@H]2CC=CCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001303337751 1067867385 /nfs/dbraw/zinc/86/73/85/1067867385.db2.gz UKUTYVXWNAXBQM-GMAHTHKFSA-N 1 2 466.630 3.110 20 0 JGADLO Cc1nnc(CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304776620 1067870960 /nfs/dbraw/zinc/87/09/60/1067870960.db2.gz GQRFCCRSSZEXIH-UHFFFAOYSA-N 1 2 462.023 3.160 20 0 JGADLO CC(C)NC(=O)c1nnc(N(Cc2ccc(F)cc2)C(C)C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001303342997 1067871178 /nfs/dbraw/zinc/87/11/78/1067871178.db2.gz COGYWGUVENSOEZ-UHFFFAOYSA-N 1 2 495.603 3.250 20 0 JGADLO CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2cccs2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303347952 1067874657 /nfs/dbraw/zinc/87/46/57/1067874657.db2.gz UQFTVLGGIWBEHY-UHFFFAOYSA-N 1 2 486.642 3.388 20 0 JGADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001303353024 1067880193 /nfs/dbraw/zinc/88/01/93/1067880193.db2.gz MUWYZWOWQNQIRB-ROUUACIJSA-N 1 2 457.648 3.180 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCC(c3ccsc3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303366378 1067894828 /nfs/dbraw/zinc/89/48/28/1067894828.db2.gz ZZPXHXISSAZNQG-UHFFFAOYSA-N 1 2 453.616 3.371 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2Cc2cccs2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303397414 1067925990 /nfs/dbraw/zinc/92/59/90/1067925990.db2.gz ISAUCXYTFMIESW-GOSISDBHSA-N 1 2 453.616 3.199 20 0 JGADLO Cc1noc(C)c1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001304882428 1067927440 /nfs/dbraw/zinc/92/74/40/1067927440.db2.gz RDEMUJDNBLTAGP-XMMPIXPASA-N 1 2 469.590 3.069 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001303407565 1067934480 /nfs/dbraw/zinc/93/44/80/1067934480.db2.gz GQENFNZYXDDLQH-QUCCMNQESA-N 1 2 475.037 3.065 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCCN(C)CC(F)(F)F)CC2)on1 ZINC001304899622 1067943243 /nfs/dbraw/zinc/94/32/43/1067943243.db2.gz FFTINOKWYKPGMP-UHFFFAOYSA-N 1 2 457.545 3.078 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCN(CC(F)(F)F)C3)CC2)on1 ZINC001304900946 1067944499 /nfs/dbraw/zinc/94/44/99/1067944499.db2.gz VVNFCIPHEKVYKI-SFHVURJKSA-N 1 2 483.583 3.370 20 0 JGADLO C[C@@H]1C[C@H](C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001304920447 1067962235 /nfs/dbraw/zinc/96/22/35/1067962235.db2.gz TYBJZDOYPBITPT-HDICACEKSA-N 1 2 468.627 3.340 20 0 JGADLO CC(C)O[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H](C)c2ccc(F)cc2)CCOC1 ZINC001303487635 1068010322 /nfs/dbraw/zinc/01/03/22/1068010322.db2.gz PCYZMLMWLPECNC-NBGIEHNGSA-N 1 2 475.609 3.030 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N(C)CCc3ccccc3F)n2CC(C)(C)[NH+]2CCOCC2)CCOC1 ZINC001303487722 1068011005 /nfs/dbraw/zinc/01/10/05/1068011005.db2.gz QIPZKXXDQXORCQ-SANMLTNESA-N 1 2 489.636 3.248 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001303504742 1068037743 /nfs/dbraw/zinc/03/77/43/1068037743.db2.gz VVGKGTDVRVXCMQ-PGRDOPGGSA-N 1 2 489.583 3.208 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001303504742 1068037758 /nfs/dbraw/zinc/03/77/58/1068037758.db2.gz VVGKGTDVRVXCMQ-PGRDOPGGSA-N 1 2 489.583 3.208 20 0 JGADLO CC(C)Oc1cccc(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001303517001 1068050519 /nfs/dbraw/zinc/05/05/19/1068050519.db2.gz MZAIVVPLHXGDHP-OAQYLSRUSA-N 1 2 464.614 3.408 20 0 JGADLO CN(Cc1nnc2n1CCC[C@H]2C(F)(F)F)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001303524515 1068054720 /nfs/dbraw/zinc/05/47/20/1068054720.db2.gz HCHUKFZQDFNEKC-AEFFLSMTSA-N 1 2 453.534 3.466 20 0 JGADLO CC(C)OC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001303528115 1068057221 /nfs/dbraw/zinc/05/72/21/1068057221.db2.gz XLLODFDRGIWJHD-WOJBJXKFSA-N 1 2 476.572 3.204 20 0 JGADLO C[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001305033444 1068090676 /nfs/dbraw/zinc/09/06/76/1068090676.db2.gz DJFIRJRITCRMFN-VAMGGRTRSA-N 1 2 489.686 3.473 20 0 JGADLO C[C@@H](c1cc(F)ccc1F)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303587200 1068108578 /nfs/dbraw/zinc/10/85/78/1068108578.db2.gz NMRDPSYYHIVXBT-LIRRHRJNSA-N 1 2 455.513 3.214 20 0 JGADLO CC(C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001303596215 1068119456 /nfs/dbraw/zinc/11/94/56/1068119456.db2.gz MVKQENZAKVXVMG-OSPHWJPCSA-N 1 2 473.572 3.247 20 0 JGADLO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001303651227 1068180645 /nfs/dbraw/zinc/18/06/45/1068180645.db2.gz WVEHAKKJXSOCCO-QUCCMNQESA-N 1 2 455.607 3.044 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H](C)Oc1ccccc1F ZINC001303690311 1068230364 /nfs/dbraw/zinc/23/03/64/1068230364.db2.gz YNWUFYFQRNBMKO-YADHBBJMSA-N 1 2 488.652 3.239 20 0 JGADLO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCSCC2)CC(C)(C)C1 ZINC001305144578 1068244462 /nfs/dbraw/zinc/24/44/62/1068244462.db2.gz QCIFQXPNFHRWKC-SFHVURJKSA-N 1 2 477.700 3.270 20 0 JGADLO C[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2cccc[nH+]2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303704805 1068249400 /nfs/dbraw/zinc/24/94/00/1068249400.db2.gz JMQBWXGAZVGSHA-LJQANCHMSA-N 1 2 478.601 3.317 20 0 JGADLO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001303726936 1068280642 /nfs/dbraw/zinc/28/06/42/1068280642.db2.gz IFCDVGOTBWELPX-JKSUJKDBSA-N 1 2 455.500 3.349 20 0 JGADLO C[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)Cc1c(F)cccc1Cl)[NH+]1CCOCC1 ZINC001303728699 1068283280 /nfs/dbraw/zinc/28/32/80/1068283280.db2.gz PEARPCGCRLGGCA-KRWDZBQOSA-N 1 2 458.969 3.414 20 0 JGADLO C[C@H](c1cc(F)ccc1F)N(C)c1nnc(Cc2ccncc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001303732329 1068288136 /nfs/dbraw/zinc/28/81/36/1068288136.db2.gz UHJNLJIJJHFMAQ-ZWKOTPCHSA-N 1 2 456.541 3.460 20 0 JGADLO C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCNc2cccc[nH+]2)CCN1CC(F)(F)F ZINC001305177909 1068291986 /nfs/dbraw/zinc/29/19/86/1068291986.db2.gz GPLXIGFYSDHKTO-ROUUACIJSA-N 1 2 467.540 3.490 20 0 JGADLO C[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303735785 1068293438 /nfs/dbraw/zinc/29/34/38/1068293438.db2.gz DPXBRYVYZUOENB-GHTZIAJQSA-N 1 2 478.037 3.483 20 0 JGADLO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC(C)(C)C1 ZINC001305179372 1068294877 /nfs/dbraw/zinc/29/48/77/1068294877.db2.gz AMDBHGOGNKYBBK-CUWPLCDZSA-N 1 2 477.650 3.495 20 0 JGADLO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001303738094 1068297019 /nfs/dbraw/zinc/29/70/19/1068297019.db2.gz SBDOUVOFGVYLNJ-IAGOWNOFSA-N 1 2 453.509 3.198 20 0 JGADLO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001303738206 1068297146 /nfs/dbraw/zinc/29/71/46/1068297146.db2.gz SBDOUVOFGVYLNJ-IRXDYDNUSA-N 1 2 453.509 3.198 20 0 JGADLO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001303738741 1068298127 /nfs/dbraw/zinc/29/81/27/1068298127.db2.gz VKUPCYBQAQTRQK-JTDSTZFVSA-N 1 2 471.499 3.352 20 0 JGADLO O=C([C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001303749130 1068309736 /nfs/dbraw/zinc/30/97/36/1068309736.db2.gz JZBIPLSFZUQRQM-IBGZPJMESA-N 1 2 457.372 3.438 20 0 JGADLO CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC001303749284 1068309932 /nfs/dbraw/zinc/30/99/32/1068309932.db2.gz NAZQGZNUFYYLEY-BWKNWUBXSA-N 1 2 452.555 3.301 20 0 JGADLO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305213990 1068346693 /nfs/dbraw/zinc/34/66/93/1068346693.db2.gz WFHYSIMCNATTRO-ZACQAIPSSA-N 1 2 484.428 3.498 20 0 JGADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cc[nH+]1 ZINC001305218717 1068355863 /nfs/dbraw/zinc/35/58/63/1068355863.db2.gz GTFFLULHBMDCQO-DLBZAZTESA-N 1 2 452.540 3.490 20 0 JGADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001303780175 1068357880 /nfs/dbraw/zinc/35/78/80/1068357880.db2.gz AOJYSJLTTQQPBF-DYESRHJHSA-N 1 2 465.639 3.322 20 0 JGADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001303780557 1068359036 /nfs/dbraw/zinc/35/90/36/1068359036.db2.gz IVSXYMFUFTYQQZ-QFBILLFUSA-N 1 2 479.647 3.242 20 0 JGADLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC001303791379 1068374563 /nfs/dbraw/zinc/37/45/63/1068374563.db2.gz XOJSZINMRHVFLU-HNNXBMFYSA-N 1 2 450.333 3.135 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233775 1068380000 /nfs/dbraw/zinc/38/00/00/1068380000.db2.gz FHRRBWBRVOKTEG-NJYVYQBISA-N 1 2 492.665 3.076 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233775 1068380009 /nfs/dbraw/zinc/38/00/09/1068380009.db2.gz FHRRBWBRVOKTEG-NJYVYQBISA-N 1 2 492.665 3.076 20 0 JGADLO C[C@H](c1ccccc1F)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2[nH+]1 ZINC001303803789 1068403183 /nfs/dbraw/zinc/40/31/83/1068403183.db2.gz PGYKWTWRXASTRB-DLBZAZTESA-N 1 2 485.589 3.115 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001303817432 1068430830 /nfs/dbraw/zinc/43/08/30/1068430830.db2.gz RIKZEUHVSFGXFC-LJQANCHMSA-N 1 2 489.690 3.338 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C(C)(C)C)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001303828820 1068450294 /nfs/dbraw/zinc/45/02/94/1068450294.db2.gz OWTPMMYLXHONMC-FUHWJXTLSA-N 1 2 489.621 3.134 20 0 JGADLO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001305269188 1068460762 /nfs/dbraw/zinc/46/07/62/1068460762.db2.gz NPDLNQJUXIJXBN-FQEVSTJZSA-N 1 2 464.570 3.112 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001303866183 1068502971 /nfs/dbraw/zinc/50/29/71/1068502971.db2.gz YHICHACUXRHLRJ-ILZDJORESA-N 1 2 499.056 3.002 20 0 JGADLO CC[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001305301124 1068509837 /nfs/dbraw/zinc/50/98/37/1068509837.db2.gz OREQFUFNDJBOEW-HSZRJFAPSA-N 1 2 476.528 3.326 20 0 JGADLO CC[C@@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001305308312 1068516455 /nfs/dbraw/zinc/51/64/55/1068516455.db2.gz DWHDMFQKQHJSNP-UYXZNNOOSA-N 1 2 499.660 3.234 20 0 JGADLO CC[C@@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305312261 1068523359 /nfs/dbraw/zinc/52/33/59/1068523359.db2.gz LVAUIPMKEKGWAR-RUZDIDTESA-N 1 2 450.587 3.357 20 0 JGADLO CC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001305314373 1068527924 /nfs/dbraw/zinc/52/79/24/1068527924.db2.gz VZIFWGNGAQENIW-QHCPKHFHSA-N 1 2 474.606 3.244 20 0 JGADLO CC[C@@H](C)[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001305335838 1068566992 /nfs/dbraw/zinc/56/69/92/1068566992.db2.gz MSEOTYIDRKTBCU-MWTRTKDXSA-N 1 2 473.647 3.050 20 0 JGADLO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001305335833 1068567004 /nfs/dbraw/zinc/56/70/04/1068567004.db2.gz MSEOTYIDRKTBCU-HJPURHCSSA-N 1 2 473.647 3.050 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)Cc2cnn(C)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303916482 1068568638 /nfs/dbraw/zinc/56/86/38/1068568638.db2.gz JCCXEJDQMUQXRG-SFHVURJKSA-N 1 2 471.581 3.038 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1CC(F)(F)C1 ZINC001303924224 1068578749 /nfs/dbraw/zinc/57/87/49/1068578749.db2.gz TULZOFTVTHPDFP-INIZCTEOSA-N 1 2 453.509 3.371 20 0 JGADLO CC[C@H](C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001305344065 1068582100 /nfs/dbraw/zinc/58/21/00/1068582100.db2.gz CEACDDLNZGLNQD-ODGPQVTHSA-N 1 2 482.673 3.448 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC1([NH+]2CCOCC2)CC1 ZINC001305370380 1068624648 /nfs/dbraw/zinc/62/46/48/1068624648.db2.gz XFFXAVDPSUZKNG-MOPGFXCFSA-N 1 2 475.659 3.257 20 0 JGADLO CC[C@H](C)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001305371585 1068625644 /nfs/dbraw/zinc/62/56/44/1068625644.db2.gz WXYQKTCHBSYDDP-FHWLQOOXSA-N 1 2 451.637 3.481 20 0 JGADLO CC[C@H](C)c1nnc(N(C)[C@H](C)CS(=O)(=O)CC)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001305372013 1068626322 /nfs/dbraw/zinc/62/63/22/1068626322.db2.gz YCUQJWBIAZGYQD-RBUKOAKNSA-N 1 2 462.664 3.485 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2cnn(CC)c2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305390326 1068635649 /nfs/dbraw/zinc/63/56/49/1068635649.db2.gz UUJRKPCGUQZDAI-MJGOQNOKSA-N 1 2 452.611 3.145 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2cnn(CC)c2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305390326 1068635655 /nfs/dbraw/zinc/63/56/55/1068635655.db2.gz UUJRKPCGUQZDAI-MJGOQNOKSA-N 1 2 452.611 3.145 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001305424063 1068659437 /nfs/dbraw/zinc/65/94/37/1068659437.db2.gz CFKYWUYDUJRSGT-FUHWJXTLSA-N 1 2 459.557 3.496 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001305449967 1068684874 /nfs/dbraw/zinc/68/48/74/1068684874.db2.gz PAQWVKASCROHKL-TZIWHRDSSA-N 1 2 499.660 3.423 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305450878 1068686584 /nfs/dbraw/zinc/68/65/84/1068686584.db2.gz TUSSEVZHRWLVGF-MOPGFXCFSA-N 1 2 464.655 3.253 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305450878 1068686590 /nfs/dbraw/zinc/68/65/90/1068686590.db2.gz TUSSEVZHRWLVGF-MOPGFXCFSA-N 1 2 464.655 3.253 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305478686 1068717147 /nfs/dbraw/zinc/71/71/47/1068717147.db2.gz KBRPAPZHUQKTIF-MDNUFGMLSA-N 1 2 468.646 3.136 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCN(CC)C(=O)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305507743 1068744672 /nfs/dbraw/zinc/74/46/72/1068744672.db2.gz AVNXRHLQKSIGNA-GGAORHGYSA-N 1 2 468.646 3.232 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001305516613 1068764387 /nfs/dbraw/zinc/76/43/87/1068764387.db2.gz QUGMPGNURUIJNM-FYYLOGMGSA-N 1 2 497.688 3.323 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001305516613 1068764398 /nfs/dbraw/zinc/76/43/98/1068764398.db2.gz QUGMPGNURUIJNM-FYYLOGMGSA-N 1 2 497.688 3.323 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCOC1CCCC1 ZINC001305518088 1068767728 /nfs/dbraw/zinc/76/77/28/1068767728.db2.gz GHNPHTCBIOZHBK-LEWJYISDSA-N 1 2 460.667 3.274 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001305534273 1068794240 /nfs/dbraw/zinc/79/42/40/1068794240.db2.gz RBPRHQYPXTXXOT-UPCLLVRISA-N 1 2 453.591 3.334 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305534866 1068795126 /nfs/dbraw/zinc/79/51/26/1068795126.db2.gz IZACZRLANCDKEF-VWNXMTODSA-N 1 2 482.673 3.478 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1cccc(NC(=O)OC)c1 ZINC001305535302 1068795669 /nfs/dbraw/zinc/79/56/69/1068795669.db2.gz UXXSYAKHALKJQI-KRWDZBQOSA-N 1 2 464.574 3.443 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CCCNc1cccc[nH+]1 ZINC001305539222 1068807212 /nfs/dbraw/zinc/80/72/12/1068807212.db2.gz YHABGJDRWXPEIF-JOCHJYFZSA-N 1 2 482.677 3.213 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1C[C@]1(O)CCSC1 ZINC001305539683 1068807885 /nfs/dbraw/zinc/80/78/85/1068807885.db2.gz GIFXUVXQEUHQBM-GAJHUEQPSA-N 1 2 463.623 3.130 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001305540424 1068809461 /nfs/dbraw/zinc/80/94/61/1068809461.db2.gz UVFPVYRIYCEAQB-GHTZIAJQSA-N 1 2 495.093 3.191 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1C[C@@H]1CC(=O)N(CCOC)C1 ZINC001305541164 1068811828 /nfs/dbraw/zinc/81/18/28/1068811828.db2.gz WURGZYVXBFQILB-PZJWPPBQSA-N 1 2 489.064 3.262 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCc1nc(C)c(C)s1 ZINC001305544327 1068819918 /nfs/dbraw/zinc/81/99/18/1068819918.db2.gz OSSPCRJUFWNYLZ-SIKLNZKXSA-N 1 2 489.734 3.339 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305563917 1068839943 /nfs/dbraw/zinc/83/99/43/1068839943.db2.gz MPCTVRNDMBZZJY-NJYVYQBISA-N 1 2 481.707 3.229 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305563917 1068839956 /nfs/dbraw/zinc/83/99/56/1068839956.db2.gz MPCTVRNDMBZZJY-NJYVYQBISA-N 1 2 481.707 3.229 20 0 JGADLO CC[C@H](C)CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001305580156 1068851967 /nfs/dbraw/zinc/85/19/67/1068851967.db2.gz SKDXBCBKAHZAJZ-ZTCOLXNVSA-N 1 2 481.707 3.009 20 0 JGADLO CC[C@@H](C)CN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1c[nH+]ccc1OC ZINC001305580896 1068852677 /nfs/dbraw/zinc/85/26/77/1068852677.db2.gz WHYOQFVTAIYEFZ-MRXNPFEDSA-N 1 2 471.631 3.481 20 0 JGADLO CC[C@@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305592616 1068859675 /nfs/dbraw/zinc/85/96/75/1068859675.db2.gz NLESDURZAVKRGF-YLJYHZDGSA-N 1 2 466.638 3.123 20 0 JGADLO CC[C@@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305592616 1068859684 /nfs/dbraw/zinc/85/96/84/1068859684.db2.gz NLESDURZAVKRGF-YLJYHZDGSA-N 1 2 466.638 3.123 20 0 JGADLO CC[C@H](C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[NH+]1CCSCC1 ZINC001305597902 1068862693 /nfs/dbraw/zinc/86/26/93/1068862693.db2.gz KGMLDFIWRJPCBV-SFHVURJKSA-N 1 2 465.689 3.270 20 0 JGADLO CC[C@H](c1nnc(N(C)Cc2ccco2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305652840 1068991172 /nfs/dbraw/zinc/99/11/72/1068991172.db2.gz LQFLEGADKKUANU-QHCPKHFHSA-N 1 2 450.587 3.214 20 0 JGADLO CC[C@@H](c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1C[C@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC001305675137 1069026924 /nfs/dbraw/zinc/02/69/24/1069026924.db2.gz ANLKPRXBQXERBN-TUNNFDKTSA-N 1 2 459.660 3.175 20 0 JGADLO CC[C@@H](c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC001305675137 1069026944 /nfs/dbraw/zinc/02/69/44/1069026944.db2.gz ANLKPRXBQXERBN-TUNNFDKTSA-N 1 2 459.660 3.175 20 0 JGADLO CCC(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC1)[NH+]1CCOCC1 ZINC001305702617 1069084578 /nfs/dbraw/zinc/08/45/78/1069084578.db2.gz DDNGMXACEIQIMO-JOCHJYFZSA-N 1 2 475.659 3.086 20 0 JGADLO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001305706086 1069094489 /nfs/dbraw/zinc/09/44/89/1069094489.db2.gz ANOLOLBVTXUBMS-GMAHTHKFSA-N 1 2 489.686 3.014 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305725010 1069140603 /nfs/dbraw/zinc/14/06/03/1069140603.db2.gz VIUNFPVZOHHYHU-UHFFFAOYSA-N 1 2 493.612 3.113 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cccc(O)c2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305727448 1069146083 /nfs/dbraw/zinc/14/60/83/1069146083.db2.gz ZMFYWFIPZAQBSX-GOSISDBHSA-N 1 2 472.634 3.210 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)c2cccc(O)c2)n1CC[N@H+]1CCOCC1(C)C ZINC001305727448 1069146086 /nfs/dbraw/zinc/14/60/86/1069146086.db2.gz ZMFYWFIPZAQBSX-GOSISDBHSA-N 1 2 472.634 3.210 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305739960 1069168214 /nfs/dbraw/zinc/16/82/14/1069168214.db2.gz OVXFCGLYWCQZAF-WSTZPKSXSA-N 1 2 483.665 3.322 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305739960 1069168217 /nfs/dbraw/zinc/16/82/17/1069168217.db2.gz OVXFCGLYWCQZAF-WSTZPKSXSA-N 1 2 483.665 3.322 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC3(C2)CCOCC3)n1CCCNc1cccc[nH+]1 ZINC001305760831 1069226798 /nfs/dbraw/zinc/22/67/98/1069226798.db2.gz LZSVXBIRWANYAK-UHFFFAOYSA-N 1 2 455.607 3.101 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305768130 1069240907 /nfs/dbraw/zinc/24/09/07/1069240907.db2.gz WJZQSQSMYSBIJC-INIZCTEOSA-N 1 2 474.572 3.086 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)(F)F)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001305768130 1069240922 /nfs/dbraw/zinc/24/09/22/1069240922.db2.gz WJZQSQSMYSBIJC-INIZCTEOSA-N 1 2 474.572 3.086 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](COC)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001305775859 1069258737 /nfs/dbraw/zinc/25/87/37/1069258737.db2.gz SKPOCGDEPYJMGA-OAQYLSRUSA-N 1 2 483.661 3.493 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001305776593 1069261157 /nfs/dbraw/zinc/26/11/57/1069261157.db2.gz YPXBSNKCRUACFP-LJQANCHMSA-N 1 2 469.634 3.103 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CC(C)(C)C(F)(F)F ZINC001305784195 1069279854 /nfs/dbraw/zinc/27/98/54/1069279854.db2.gz JXJZCIHMWYQWOE-UHFFFAOYSA-N 1 2 482.555 3.210 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCc1cc(F)cc(F)c1 ZINC001305784624 1069281484 /nfs/dbraw/zinc/28/14/84/1069281484.db2.gz OYEOKGVHYOLHDK-UHFFFAOYSA-N 1 2 498.582 3.142 20 0 JGADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164644275 719284640 /nfs/dbraw/zinc/28/46/40/719284640.db2.gz GMGLAMSFDXEQJR-UHFFFAOYSA-N 1 2 474.005 3.244 20 0 JGADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164644275 719284644 /nfs/dbraw/zinc/28/46/44/719284644.db2.gz GMGLAMSFDXEQJR-UHFFFAOYSA-N 1 2 474.005 3.244 20 0 JGADLO CCOC(=O)c1cnc(OC)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164664176 719350026 /nfs/dbraw/zinc/35/00/26/719350026.db2.gz SUPNJUIDJJJXNI-UHFFFAOYSA-N 1 2 476.581 3.357 20 0 JGADLO CCOC(=O)c1cnc(OC)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164664176 719350029 /nfs/dbraw/zinc/35/00/29/719350029.db2.gz SUPNJUIDJJJXNI-UHFFFAOYSA-N 1 2 476.581 3.357 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(-n3ccccc3=O)n1)CC2 ZINC001164658035 719354298 /nfs/dbraw/zinc/35/42/98/719354298.db2.gz BRJFKRILRZHHCF-UHFFFAOYSA-N 1 2 467.577 3.322 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc(-n3ccccc3=O)n1)CC2 ZINC001164658035 719354303 /nfs/dbraw/zinc/35/43/03/719354303.db2.gz BRJFKRILRZHHCF-UHFFFAOYSA-N 1 2 467.577 3.322 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(C(=O)NC)n1)CC2 ZINC001164663875 719356075 /nfs/dbraw/zinc/35/60/75/719356075.db2.gz IAHKRHZEYXVAOK-UHFFFAOYSA-N 1 2 465.989 3.184 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(C(=O)NC)n1)CC2 ZINC001164663875 719356079 /nfs/dbraw/zinc/35/60/79/719356079.db2.gz IAHKRHZEYXVAOK-UHFFFAOYSA-N 1 2 465.989 3.184 20 0 JGADLO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)C1 ZINC001164673933 719523824 /nfs/dbraw/zinc/52/38/24/719523824.db2.gz UFTCAHWVCPVRIL-QFIPXVFZSA-N 1 2 497.615 3.267 20 0 JGADLO CCOC(=O)[C@H]1CCCN(c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)C1 ZINC001164673933 719523827 /nfs/dbraw/zinc/52/38/27/719523827.db2.gz UFTCAHWVCPVRIL-QFIPXVFZSA-N 1 2 497.615 3.267 20 0 JGADLO CC(C)Oc1ncnc2c1CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001164697098 719791963 /nfs/dbraw/zinc/79/19/63/719791963.db2.gz YMQHKLDLCCAWOT-UHFFFAOYSA-N 1 2 486.620 3.222 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC001164704062 719852112 /nfs/dbraw/zinc/85/21/12/719852112.db2.gz QTQUJWZENAZHLR-AJTFRIOCSA-N 1 2 473.577 3.438 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC001164704064 719852314 /nfs/dbraw/zinc/85/23/14/719852314.db2.gz QTQUJWZENAZHLR-AMGIVPHBSA-N 1 2 473.577 3.438 20 0 JGADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164703765 719867537 /nfs/dbraw/zinc/86/75/37/719867537.db2.gz KKQODBCSIYURBO-GYCJOSAFSA-N 1 2 475.973 3.298 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(F)ccc1Oc1ccc(Cl)nn1 ZINC001164707583 719867877 /nfs/dbraw/zinc/86/78/77/719867877.db2.gz TYQZHEKVMLJMNR-AOMKIAJQSA-N 1 2 464.925 3.294 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccc(F)cc1 ZINC001164706508 719869476 /nfs/dbraw/zinc/86/94/76/719869476.db2.gz PRYAWJXRKJDYKQ-AOMKIAJQSA-N 1 2 464.925 3.294 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1C ZINC001164703504 719878025 /nfs/dbraw/zinc/87/80/25/719878025.db2.gz SPRUBKGNCVPNJA-UZUQRXQVSA-N 1 2 460.962 3.463 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1cccc(C)c1 ZINC001164696673 719878119 /nfs/dbraw/zinc/87/81/19/719878119.db2.gz ANINVYGXJXYBGT-UZUQRXQVSA-N 1 2 460.962 3.463 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1Oc1ccccc1F ZINC001164704389 719878386 /nfs/dbraw/zinc/87/83/86/719878386.db2.gz WNQPIIDKSOLGRK-NYHFZMIOSA-N 1 2 464.925 3.294 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(Cl)nnc(Cl)c1N1CCCCC1 ZINC001164699756 719880385 /nfs/dbraw/zinc/88/03/85/719880385.db2.gz IAFULPNNJPQUPI-YCRPNKLZSA-N 1 2 472.417 3.006 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)ccc1-c1ccccc1)CC2 ZINC001164708692 719907758 /nfs/dbraw/zinc/90/77/58/719907758.db2.gz HGODTHQYLMYNGW-UHFFFAOYSA-N 1 2 450.974 3.086 20 0 JGADLO Cc1ccc2nc(-c3ccccc3F)nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164708451 719913053 /nfs/dbraw/zinc/91/30/53/719913053.db2.gz DKKJTVQGNOTYAM-UHFFFAOYSA-N 1 2 499.594 3.428 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C2)C1 ZINC001164720082 720231312 /nfs/dbraw/zinc/23/13/12/720231312.db2.gz RETXGVXBRNDGOU-QFIPXVFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C2)C1 ZINC001164720082 720231320 /nfs/dbraw/zinc/23/13/20/720231320.db2.gz RETXGVXBRNDGOU-QFIPXVFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)C2)C1 ZINC001164717562 720231484 /nfs/dbraw/zinc/23/14/84/720231484.db2.gz BDNXUMBEOVEORB-MUUNZHRXSA-N 1 2 471.605 3.475 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)C2)C1 ZINC001164717562 720231491 /nfs/dbraw/zinc/23/14/91/720231491.db2.gz BDNXUMBEOVEORB-MUUNZHRXSA-N 1 2 471.605 3.475 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C2)C1 ZINC001164720492 720241819 /nfs/dbraw/zinc/24/18/19/720241819.db2.gz XKFFFPYGGWMQNZ-OAQYLSRUSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4ccnc(Cl)c4c3)C2)C1 ZINC001164720492 720241827 /nfs/dbraw/zinc/24/18/27/720241827.db2.gz XKFFFPYGGWMQNZ-OAQYLSRUSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)C2)C1 ZINC001164720137 720258438 /nfs/dbraw/zinc/25/84/38/720258438.db2.gz RTFQONBKIDEKIP-FQEVSTJZSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc4c(Cl)nc(Cl)nc43)C2)C1 ZINC001164720137 720258449 /nfs/dbraw/zinc/25/84/49/720258449.db2.gz RTFQONBKIDEKIP-FQEVSTJZSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3ccc(-c4ccnc(Cl)c4)cc3)C2)C1 ZINC001164717511 720260229 /nfs/dbraw/zinc/26/02/29/720260229.db2.gz ABLQVIJNNMNSFI-QHCPKHFHSA-N 1 2 494.970 3.492 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)Oc3ccc(-c4ccnc(Cl)c4)cc3)C2)C1 ZINC001164717511 720260251 /nfs/dbraw/zinc/26/02/51/720260251.db2.gz ABLQVIJNNMNSFI-QHCPKHFHSA-N 1 2 494.970 3.492 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C2)C1 ZINC001164720634 720289021 /nfs/dbraw/zinc/28/90/21/720289021.db2.gz BLWUGHIEDYZAQE-HXUWFJFHSA-N 1 2 485.988 3.068 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(-c4cccs4)nnc3Cl)C2)C1 ZINC001164720634 720289029 /nfs/dbraw/zinc/28/90/29/720289029.db2.gz BLWUGHIEDYZAQE-HXUWFJFHSA-N 1 2 485.988 3.068 20 0 JGADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164721360 720306321 /nfs/dbraw/zinc/30/63/21/720306321.db2.gz GPTYLOSWPOPHHW-DEOSSOPVSA-N 1 2 474.005 3.150 20 0 JGADLO CCc1ccccc1Oc1nc(Cl)ncc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164721360 720306324 /nfs/dbraw/zinc/30/63/24/720306324.db2.gz GPTYLOSWPOPHHW-DEOSSOPVSA-N 1 2 474.005 3.150 20 0 JGADLO CCc1cccc(Oc2nc(Cl)ncc2N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)c1 ZINC001164721026 720306376 /nfs/dbraw/zinc/30/63/76/720306376.db2.gz CUCKZFWSWKLWAR-DEOSSOPVSA-N 1 2 474.005 3.150 20 0 JGADLO CCc1cccc(Oc2nc(Cl)ncc2N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c1 ZINC001164721026 720306380 /nfs/dbraw/zinc/30/63/80/720306380.db2.gz CUCKZFWSWKLWAR-DEOSSOPVSA-N 1 2 474.005 3.150 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)C2)C1 ZINC001164723822 720309653 /nfs/dbraw/zinc/30/96/53/720309653.db2.gz PIMWHMZBPQAIIB-QHCPKHFHSA-N 1 2 493.986 3.315 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(-c4cccc(C)c4)nnc3Cl)C2)C1 ZINC001164723822 720309657 /nfs/dbraw/zinc/30/96/57/720309657.db2.gz PIMWHMZBPQAIIB-QHCPKHFHSA-N 1 2 493.986 3.315 20 0 JGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)cc(N2CCCC2)n1 ZINC001164721075 720312566 /nfs/dbraw/zinc/31/25/66/720312566.db2.gz DLLZWFMZCPUMME-INIZCTEOSA-N 1 2 467.952 3.292 20 0 JGADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCc2c([nH+]cn2C(C)C)[C@@H]1CNC(C)=O ZINC001164726476 720316667 /nfs/dbraw/zinc/31/66/67/720316667.db2.gz ZQNYQUBVIUBAGF-INIZCTEOSA-N 1 2 455.893 3.084 20 0 JGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164725495 720318280 /nfs/dbraw/zinc/31/82/80/720318280.db2.gz WFRRJRDIDNCCHL-ZDUSSCGKSA-N 1 2 469.949 3.388 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4CCCC5)CC3)C2=O)cs1 ZINC001164826767 720363692 /nfs/dbraw/zinc/36/36/92/720363692.db2.gz YYYOTRMDKXFEOR-UHFFFAOYSA-N 1 2 461.035 3.087 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4CCCC5)CC3)C2=O)cs1 ZINC001164826767 720363703 /nfs/dbraw/zinc/36/37/03/720363703.db2.gz YYYOTRMDKXFEOR-UHFFFAOYSA-N 1 2 461.035 3.087 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccnc4C4SCCCS4)CC3)C2=O)cs1 ZINC001164824812 720364108 /nfs/dbraw/zinc/36/41/08/720364108.db2.gz MPKVZUKRXZUMHT-UHFFFAOYSA-N 1 2 490.724 3.423 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccnc4C4SCCCS4)CC3)C2=O)cs1 ZINC001164824812 720364113 /nfs/dbraw/zinc/36/41/13/720364113.db2.gz MPKVZUKRXZUMHT-UHFFFAOYSA-N 1 2 490.724 3.423 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5cccs5)nn4)CC3)C2=O)cs1 ZINC001164819303 720374354 /nfs/dbraw/zinc/37/43/54/720374354.db2.gz BNNZAGXFSPLNNI-UHFFFAOYSA-N 1 2 454.625 3.283 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5cccs5)nn4)CC3)C2=O)cs1 ZINC001164819303 720374358 /nfs/dbraw/zinc/37/43/58/720374358.db2.gz BNNZAGXFSPLNNI-UHFFFAOYSA-N 1 2 454.625 3.283 20 0 JGADLO COC(=O)c1ccc2cc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)ncc2c1 ZINC001164821155 720377891 /nfs/dbraw/zinc/37/78/91/720377891.db2.gz YEBXEUUZKQEHNG-UHFFFAOYSA-N 1 2 479.606 3.100 20 0 JGADLO COC(=O)c1ccc2cc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)ncc2c1 ZINC001164821155 720377897 /nfs/dbraw/zinc/37/78/97/720377897.db2.gz YEBXEUUZKQEHNG-UHFFFAOYSA-N 1 2 479.606 3.100 20 0 JGADLO COc1ccc(-c2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nn2)cc1 ZINC001164819719 720379643 /nfs/dbraw/zinc/37/96/43/720379643.db2.gz HDLJVHZQMHZJRB-UHFFFAOYSA-N 1 2 478.622 3.230 20 0 JGADLO COc1ccc(-c2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nn2)cc1 ZINC001164819719 720379650 /nfs/dbraw/zinc/37/96/50/720379650.db2.gz HDLJVHZQMHZJRB-UHFFFAOYSA-N 1 2 478.622 3.230 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4c(C)nc(C5CC5)nc4Cl)CC3)C2=O)cs1 ZINC001164820208 720380321 /nfs/dbraw/zinc/38/03/21/720380321.db2.gz MFLUKRRXIHNYHC-UHFFFAOYSA-N 1 2 461.035 3.394 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4c(C)nc(C5CC5)nc4Cl)CC3)C2=O)cs1 ZINC001164820208 720380331 /nfs/dbraw/zinc/38/03/31/720380331.db2.gz MFLUKRRXIHNYHC-UHFFFAOYSA-N 1 2 461.035 3.394 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(Oc5ccc(F)cc5)n4)CC3)C2=O)cs1 ZINC001164825830 720381046 /nfs/dbraw/zinc/38/10/46/720381046.db2.gz VMLRDRVLIOAAES-UHFFFAOYSA-N 1 2 482.585 3.486 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(Oc5ccc(F)cc5)n4)CC3)C2=O)cs1 ZINC001164825830 720381052 /nfs/dbraw/zinc/38/10/52/720381052.db2.gz VMLRDRVLIOAAES-UHFFFAOYSA-N 1 2 482.585 3.486 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-c5ccc(F)cc5)ncn4)CC3)C2=O)cs1 ZINC001164820708 720381469 /nfs/dbraw/zinc/38/14/69/720381469.db2.gz QVEZBTUHFIVNND-UHFFFAOYSA-N 1 2 466.586 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-c5ccc(F)cc5)ncn4)CC3)C2=O)cs1 ZINC001164820708 720381475 /nfs/dbraw/zinc/38/14/75/720381475.db2.gz QVEZBTUHFIVNND-UHFFFAOYSA-N 1 2 466.586 3.361 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccnc(Cl)c1Cl)C2 ZINC001164825369 720434693 /nfs/dbraw/zinc/43/46/93/720434693.db2.gz RRWVFRZIGWBIAQ-AWEZNQCLSA-N 1 2 476.355 3.119 20 0 JGADLO COc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c2cc(Cl)ccc12 ZINC001164823400 720452591 /nfs/dbraw/zinc/45/25/91/720452591.db2.gz JBPGGWVHEPSOKK-QGZVFWFLSA-N 1 2 471.989 3.083 20 0 JGADLO COc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c2cc(Cl)ccc12 ZINC001164823399 720453158 /nfs/dbraw/zinc/45/31/58/720453158.db2.gz JBPGGWVHEPSOKK-KRWDZBQOSA-N 1 2 471.989 3.083 20 0 JGADLO Cc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc2c(Cl)cccc12 ZINC001164829191 720465379 /nfs/dbraw/zinc/46/53/79/720465379.db2.gz DIYIBJIFNIAWPR-GOSISDBHSA-N 1 2 455.990 3.383 20 0 JGADLO CSc1cnc(Cl)c(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164830779 720468932 /nfs/dbraw/zinc/46/89/32/720468932.db2.gz LZYOICDQQRLUCZ-OAHLLOKOSA-N 1 2 488.004 3.188 20 0 JGADLO Cc1nc2sc3c(c2c(N2Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C2)n1)CCCC3 ZINC001164832304 720469792 /nfs/dbraw/zinc/46/97/92/720469792.db2.gz SZKRMTIZQLDTME-SFHVURJKSA-N 1 2 482.654 3.065 20 0 JGADLO Cc1nc2sc3c(c2c(N2Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C2)n1)CCCC3 ZINC001164832303 720470084 /nfs/dbraw/zinc/47/00/84/720470084.db2.gz SZKRMTIZQLDTME-GOSISDBHSA-N 1 2 482.654 3.065 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3cc(F)c(Cl)cc31)C2 ZINC001164831445 720479671 /nfs/dbraw/zinc/47/96/71/720479671.db2.gz FROTWFUZRIOHCK-QGZVFWFLSA-N 1 2 459.953 3.213 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164834769 720484258 /nfs/dbraw/zinc/48/42/58/720484258.db2.gz UQEHQRPRNXTCMA-KRWDZBQOSA-N 1 2 481.975 3.343 20 0 JGADLO COc1ccc2nc(C(F)(F)N3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)nc(Cl)c2c1 ZINC001164861303 720896480 /nfs/dbraw/zinc/89/64/80/720896480.db2.gz XLXGGEVQXSXFLS-UHFFFAOYSA-N 1 2 487.898 3.049 20 0 JGADLO CCS(=O)(=O)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cnc1Cl ZINC001164757752 720984214 /nfs/dbraw/zinc/98/42/14/720984214.db2.gz QHDYLRUWWYONEG-OAHLLOKOSA-N 1 2 474.961 3.333 20 0 JGADLO CCS(=O)(=O)c1cc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cnc1Cl ZINC001164869064 721221668 /nfs/dbraw/zinc/22/16/68/721221668.db2.gz BJQLXQATXINVCS-UHFFFAOYSA-N 1 2 486.972 3.344 20 0 JGADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164771075 721273543 /nfs/dbraw/zinc/27/35/43/721273543.db2.gz ZFUCHNNZPHQWIY-AWEZNQCLSA-N 1 2 463.872 3.373 20 0 JGADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766328 721275383 /nfs/dbraw/zinc/27/53/83/721275383.db2.gz DGEASIHMVLCNRZ-CQSZACIVSA-N 1 2 463.872 3.373 20 0 JGADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)c1 ZINC001164771081 721275683 /nfs/dbraw/zinc/27/56/83/721275683.db2.gz ZFUTVBUMRUILES-AWEZNQCLSA-N 1 2 463.872 3.373 20 0 JGADLO c1ccc(C[N@@H+]2CCc3c(ncnc3N(c3ccccn3)c3ccnc([C@H]4COCCN4)n3)C2)cc1 ZINC001164874843 721329819 /nfs/dbraw/zinc/32/98/19/721329819.db2.gz JVWOPILVDMLSLQ-HSZRJFAPSA-N 1 2 480.576 3.351 20 0 JGADLO c1ccc(C[N@H+]2CCc3c(ncnc3N(c3ccccn3)c3ccnc([C@H]4COCCN4)n3)C2)cc1 ZINC001164874843 721329820 /nfs/dbraw/zinc/32/98/20/721329820.db2.gz JVWOPILVDMLSLQ-HSZRJFAPSA-N 1 2 480.576 3.351 20 0 JGADLO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164785826 721405450 /nfs/dbraw/zinc/40/54/50/721405450.db2.gz NBLIQMZHLMPLFF-ZIAGYGMSSA-N 1 2 469.945 3.266 20 0 JGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001165011423 721699075 /nfs/dbraw/zinc/69/90/75/721699075.db2.gz SHKGCCOKXDQZRB-UHFFFAOYSA-N 1 2 467.021 3.488 20 0 JGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001165011423 721699078 /nfs/dbraw/zinc/69/90/78/721699078.db2.gz SHKGCCOKXDQZRB-UHFFFAOYSA-N 1 2 467.021 3.488 20 0 JGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)C2 ZINC001165008206 721712381 /nfs/dbraw/zinc/71/23/81/721712381.db2.gz COBRXNIKTBVWHA-UHFFFAOYSA-N 1 2 455.567 3.147 20 0 JGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)C2 ZINC001165008206 721712388 /nfs/dbraw/zinc/71/23/88/721712388.db2.gz COBRXNIKTBVWHA-UHFFFAOYSA-N 1 2 455.567 3.147 20 0 JGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)C2 ZINC001165009090 721716676 /nfs/dbraw/zinc/71/66/76/721716676.db2.gz PEPPPGPDSNOQFV-UHFFFAOYSA-N 1 2 491.568 3.003 20 0 JGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)C2 ZINC001165009090 721716682 /nfs/dbraw/zinc/71/66/82/721716682.db2.gz PEPPPGPDSNOQFV-UHFFFAOYSA-N 1 2 491.568 3.003 20 0 JGADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CC2 ZINC001165017001 721765425 /nfs/dbraw/zinc/76/54/25/721765425.db2.gz ZIUUOUKQRVFTLS-UHFFFAOYSA-N 1 2 485.926 3.356 20 0 JGADLO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911933 721769695 /nfs/dbraw/zinc/76/96/95/721769695.db2.gz INEHDZPBHQWEGT-IBGZPJMESA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911933 721769698 /nfs/dbraw/zinc/76/96/98/721769698.db2.gz INEHDZPBHQWEGT-IBGZPJMESA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913583 721769901 /nfs/dbraw/zinc/76/99/01/721769901.db2.gz XWPJFPKYEAYNQP-LJQANCHMSA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1ccc(Cl)nc1Cl)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913583 721769902 /nfs/dbraw/zinc/76/99/02/721769902.db2.gz XWPJFPKYEAYNQP-LJQANCHMSA-N 1 2 459.324 3.436 20 0 JGADLO O=C(c1ccco1)N1C[C@H]2[C@H](C1)CCCN2c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165016132 721771008 /nfs/dbraw/zinc/77/10/08/721771008.db2.gz NUDDBVVWBMKAPK-ZCYQVOJMSA-N 1 2 499.615 3.374 20 0 JGADLO Clc1cc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)ccn1 ZINC001164913322 721774107 /nfs/dbraw/zinc/77/41/07/721774107.db2.gz WPOXRRURAINSNH-DEOSSOPVSA-N 1 2 451.958 3.300 20 0 JGADLO Clc1cc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)ccn1 ZINC001164913322 721774110 /nfs/dbraw/zinc/77/41/10/721774110.db2.gz WPOXRRURAINSNH-DEOSSOPVSA-N 1 2 451.958 3.300 20 0 JGADLO Clc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(Cc2ccccc2)n1 ZINC001164911122 721779239 /nfs/dbraw/zinc/77/92/39/721779239.db2.gz FLGPMDUFDUYPRK-RUZDIDTESA-N 1 2 465.985 3.224 20 0 JGADLO Clc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(Cc2ccccc2)n1 ZINC001164911122 721779245 /nfs/dbraw/zinc/77/92/45/721779245.db2.gz FLGPMDUFDUYPRK-RUZDIDTESA-N 1 2 465.985 3.224 20 0 JGADLO Fc1cc2nc(Cl)c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2cc1F ZINC001164913036 721779353 /nfs/dbraw/zinc/77/93/53/721779353.db2.gz UFGSPSLYCJBDTE-JOCHJYFZSA-N 1 2 461.900 3.064 20 0 JGADLO Fc1cc2nc(Cl)c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2cc1F ZINC001164913036 721779359 /nfs/dbraw/zinc/77/93/59/721779359.db2.gz UFGSPSLYCJBDTE-JOCHJYFZSA-N 1 2 461.900 3.064 20 0 JGADLO Clc1cc(Cc2ccccc2)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915565 721790430 /nfs/dbraw/zinc/79/04/30/721790430.db2.gz LHKBPAHJDMXINH-VWLOTQADSA-N 1 2 465.985 3.224 20 0 JGADLO Clc1cc(Cc2ccccc2)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915565 721790432 /nfs/dbraw/zinc/79/04/32/721790432.db2.gz LHKBPAHJDMXINH-VWLOTQADSA-N 1 2 465.985 3.224 20 0 JGADLO O=C(Nc1cccc(Cl)c1)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164913428 721794552 /nfs/dbraw/zinc/79/45/52/721794552.db2.gz CXKACUGWIYDFQH-SANMLTNESA-N 1 2 493.995 3.490 20 0 JGADLO O=C(Nc1cccc(Cl)c1)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164913428 721794555 /nfs/dbraw/zinc/79/45/55/721794555.db2.gz CXKACUGWIYDFQH-SANMLTNESA-N 1 2 493.995 3.490 20 0 JGADLO CC(C)(C)OC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913957 721799203 /nfs/dbraw/zinc/79/92/03/721799203.db2.gz JFEJHPZOSUOXTM-XMMPIXPASA-N 1 2 474.989 3.193 20 0 JGADLO CC(C)(C)OC(=O)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913957 721799207 /nfs/dbraw/zinc/79/92/07/721799207.db2.gz JFEJHPZOSUOXTM-XMMPIXPASA-N 1 2 474.989 3.193 20 0 JGADLO COc1ccc(Cc2c(C)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2C)cc1 ZINC001164915240 721800121 /nfs/dbraw/zinc/80/01/21/721800121.db2.gz UNEPHBAAHUVBJH-MUUNZHRXSA-N 1 2 489.620 3.196 20 0 JGADLO COc1ccc(Cc2c(C)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2C)cc1 ZINC001164915240 721800123 /nfs/dbraw/zinc/80/01/23/721800123.db2.gz UNEPHBAAHUVBJH-MUUNZHRXSA-N 1 2 489.620 3.196 20 0 JGADLO c1ccc(SCc2nccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164913233 721800495 /nfs/dbraw/zinc/80/04/95/721800495.db2.gz BMGBNRZJJMJBCV-VWLOTQADSA-N 1 2 463.607 3.272 20 0 JGADLO c1ccc(SCc2nccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164913233 721800496 /nfs/dbraw/zinc/80/04/96/721800496.db2.gz BMGBNRZJJMJBCV-VWLOTQADSA-N 1 2 463.607 3.272 20 0 JGADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4C)c2c1C ZINC001164936734 721893437 /nfs/dbraw/zinc/89/34/37/721893437.db2.gz ZWQYBIJRTRPRPA-SJORKVTESA-N 1 2 471.627 3.362 20 0 JGADLO COCc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(-c2ccccc2)n1 ZINC001164943609 721969893 /nfs/dbraw/zinc/96/98/93/721969893.db2.gz ADYOVEHWAJSNMN-UHFFFAOYSA-N 1 2 457.578 3.261 20 0 JGADLO COCc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(-c2ccccc2)n1 ZINC001164943609 721969896 /nfs/dbraw/zinc/96/98/96/721969896.db2.gz ADYOVEHWAJSNMN-UHFFFAOYSA-N 1 2 457.578 3.261 20 0 JGADLO O=C(c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1)N1CCCCC1 ZINC001164945764 721970772 /nfs/dbraw/zinc/97/07/72/721970772.db2.gz RTKJWGJOFITPIM-UHFFFAOYSA-N 1 2 482.028 3.332 20 0 JGADLO O=C(c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1)N1CCCCC1 ZINC001164945764 721970777 /nfs/dbraw/zinc/97/07/77/721970777.db2.gz RTKJWGJOFITPIM-UHFFFAOYSA-N 1 2 482.028 3.332 20 0 JGADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4COC[C@@]4(COC)C3)c2c1C ZINC001164950581 721994968 /nfs/dbraw/zinc/99/49/68/721994968.db2.gz JOVVQCGCRJXVRY-XDHUDOTRSA-N 1 2 474.627 3.262 20 0 JGADLO CCOC(=O)c1cc2cc[nH+]c(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)c2[nH]1 ZINC001164987193 722180247 /nfs/dbraw/zinc/18/02/47/722180247.db2.gz HGVFZSHIKFLECF-UXHICEINSA-N 1 2 455.584 3.374 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCOC[C@H]2C)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001305796628 1069316919 /nfs/dbraw/zinc/31/69/19/1069316919.db2.gz WFXHFNOYRBLSAO-AOIWGVFYSA-N 1 2 478.638 3.096 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCOC[C@H]2C)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001305796628 1069316933 /nfs/dbraw/zinc/31/69/33/1069316933.db2.gz WFXHFNOYRBLSAO-AOIWGVFYSA-N 1 2 478.638 3.096 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001305802484 1069326178 /nfs/dbraw/zinc/32/61/78/1069326178.db2.gz OONLSGUSIZKPEJ-DMUMMCEESA-N 1 2 492.665 3.484 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001305802484 1069326193 /nfs/dbraw/zinc/32/61/93/1069326193.db2.gz OONLSGUSIZKPEJ-DMUMMCEESA-N 1 2 492.665 3.484 20 0 JGADLO CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001305838477 1069382596 /nfs/dbraw/zinc/38/25/96/1069382596.db2.gz QMDKIXYBYPZDFB-FQEVSTJZSA-N 1 2 455.994 3.372 20 0 JGADLO CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1)OC ZINC001305838947 1069383546 /nfs/dbraw/zinc/38/35/46/1069383546.db2.gz SCSRKNGODXTZNC-MOPGFXCFSA-N 1 2 464.010 3.061 20 0 JGADLO CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)NC(=O)OC(C)(C)C ZINC001305838774 1069383634 /nfs/dbraw/zinc/38/36/34/1069383634.db2.gz WULULTOQOUXMET-OALUTQOASA-N 1 2 485.633 3.109 20 0 JGADLO CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)NC(=O)OC(C)(C)C ZINC001305838775 1069383700 /nfs/dbraw/zinc/38/37/00/1069383700.db2.gz WULULTOQOUXMET-RBUKOAKNSA-N 1 2 485.633 3.109 20 0 JGADLO CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1)OC ZINC001305849877 1069401612 /nfs/dbraw/zinc/40/16/12/1069401612.db2.gz VJKROAVFKRKJFG-QFIPXVFZSA-N 1 2 485.608 3.035 20 0 JGADLO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001298289507 1064175010 /nfs/dbraw/zinc/17/50/10/1064175010.db2.gz LOPZUMAONHYVEV-GOSISDBHSA-N 1 2 483.560 3.097 20 0 JGADLO CN(Cc1ccc(C(F)(F)F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001298289507 1064175016 /nfs/dbraw/zinc/17/50/16/1064175016.db2.gz LOPZUMAONHYVEV-GOSISDBHSA-N 1 2 483.560 3.097 20 0 JGADLO CN(Cc1cnn(C)c1)c1nnc(CC(C)(C)C)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001298396645 1064232355 /nfs/dbraw/zinc/23/23/55/1064232355.db2.gz PCHHDEDJPBRAIO-JOCHJYFZSA-N 1 2 451.619 3.310 20 0 JGADLO CN(Cc1ccsc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001298430223 1064248927 /nfs/dbraw/zinc/24/89/27/1064248927.db2.gz NFNJKZZDFNKTFO-SJORKVTESA-N 1 2 465.670 3.243 20 0 JGADLO CN(Cc1ccsc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001298430220 1064248935 /nfs/dbraw/zinc/24/89/35/1064248935.db2.gz NFNJKZZDFNKTFO-DLBZAZTESA-N 1 2 465.670 3.243 20 0 JGADLO CN(Cc1ccon1)c1nnc(Cc2cccnc2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001298473557 1064269948 /nfs/dbraw/zinc/26/99/48/1064269948.db2.gz NVLFAHIMGBNGOD-FQEVSTJZSA-N 1 2 453.497 3.469 20 0 JGADLO CN(CC1CC1)c1nnc(COc2ccc(Br)cc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001298522866 1064290550 /nfs/dbraw/zinc/29/05/50/1064290550.db2.gz VSWBOUMPQJQQJC-UHFFFAOYSA-N 1 2 491.478 3.492 20 0 JGADLO CN(CC1CC1)c1nnc(COc2ccc(Br)cc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001298522866 1064290561 /nfs/dbraw/zinc/29/05/61/1064290561.db2.gz VSWBOUMPQJQQJC-UHFFFAOYSA-N 1 2 491.478 3.492 20 0 JGADLO CN(CCC(F)F)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001298602039 1064377409 /nfs/dbraw/zinc/37/74/09/1064377409.db2.gz TVMFLRVYDVEUFU-UHFFFAOYSA-N 1 2 470.528 3.450 20 0 JGADLO CN(CCC(F)F)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001298610649 1064382274 /nfs/dbraw/zinc/38/22/74/1064382274.db2.gz PKFBSYLWYUIARF-SFHVURJKSA-N 1 2 498.619 3.349 20 0 JGADLO CN(CCc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001298624850 1064397721 /nfs/dbraw/zinc/39/77/21/1064397721.db2.gz ZHIPXFOCCSUJKM-RXVVDRJESA-N 1 2 491.658 3.363 20 0 JGADLO CN(CCCOc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298685005 1064481944 /nfs/dbraw/zinc/48/19/44/1064481944.db2.gz ZNVALLILOVDNSQ-OAQYLSRUSA-N 1 2 461.582 3.285 20 0 JGADLO CN(CCCS(C)(=O)=O)c1nnc(Cc2ccsc2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001298696709 1064496480 /nfs/dbraw/zinc/49/64/80/1064496480.db2.gz VEQHVNKCIBYMAX-UHFFFAOYSA-N 1 2 488.683 3.235 20 0 JGADLO CN(CC1CCCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001298712378 1064519445 /nfs/dbraw/zinc/51/94/45/1064519445.db2.gz BPWNTRLDRHTOTQ-HXUWFJFHSA-N 1 2 463.623 3.078 20 0 JGADLO CN(CC1CCCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001298712378 1064519461 /nfs/dbraw/zinc/51/94/61/1064519461.db2.gz BPWNTRLDRHTOTQ-HXUWFJFHSA-N 1 2 463.623 3.078 20 0 JGADLO C[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)Cc1ccc(F)cc1 ZINC001298715442 1064525347 /nfs/dbraw/zinc/52/53/47/1064525347.db2.gz VRWNLTCZTFUPNI-HXUWFJFHSA-N 1 2 465.639 3.151 20 0 JGADLO C[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)Cc1ccc(F)cc1 ZINC001298715442 1064525362 /nfs/dbraw/zinc/52/53/62/1064525362.db2.gz VRWNLTCZTFUPNI-HXUWFJFHSA-N 1 2 465.639 3.151 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)c1ccccn1 ZINC001298736168 1064550414 /nfs/dbraw/zinc/55/04/14/1064550414.db2.gz BYUYJQBAHMGADU-UHFFFAOYSA-N 1 2 455.994 3.135 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001298736868 1064551427 /nfs/dbraw/zinc/55/14/27/1064551427.db2.gz LNFQMJCPEZVLTM-LJQANCHMSA-N 1 2 488.608 3.252 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1Cc1cscc1C(F)(F)F ZINC001298737555 1064552110 /nfs/dbraw/zinc/55/21/10/1064552110.db2.gz CMILJIBOYIEXBS-QGZVFWFLSA-N 1 2 459.538 3.417 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2F)n1C[C@](C)(O)c1cccs1 ZINC001298737196 1064552357 /nfs/dbraw/zinc/55/23/57/1064552357.db2.gz QIIRVZBVRAKJFY-QFIPXVFZSA-N 1 2 480.009 3.475 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccn2)n1CCc1ccccc1C(F)(F)F ZINC001298737789 1064552708 /nfs/dbraw/zinc/55/27/08/1064552708.db2.gz XWINVQSKMFEMAR-UHFFFAOYSA-N 1 2 460.504 3.370 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2cccnc2)n1CC(C)(C)c1ccc(F)cc1 ZINC001298737840 1064553205 /nfs/dbraw/zinc/55/32/05/1064553205.db2.gz DOLLLPAPOXBHDK-UHFFFAOYSA-N 1 2 452.578 3.149 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2c(F)cccc2F)n1C[C@](C)(O)C1CCCCC1 ZINC001298738910 1064553801 /nfs/dbraw/zinc/55/38/01/1064553801.db2.gz RCHYEIMLNZBIFH-VWLOTQADSA-N 1 2 477.600 3.247 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CC(C)(C)C)n1Cc1cc(Cl)c2c(c1)OCCO2 ZINC001298738911 1064554532 /nfs/dbraw/zinc/55/45/32/1064554532.db2.gz RCIURGUSNCZXMY-UHFFFAOYSA-N 1 2 464.010 3.108 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1Cc1cc(C(C)(C)C)no1 ZINC001298739058 1064554547 /nfs/dbraw/zinc/55/45/47/1064554547.db2.gz XFNBMPUGQUVLNC-UHFFFAOYSA-N 1 2 456.566 3.110 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(CCCc2ccccc2)n1C[C@@H]1CSCCS1 ZINC001298740496 1064554900 /nfs/dbraw/zinc/55/49/00/1064554900.db2.gz KSBZJPUTOWOXFO-OAQYLSRUSA-N 1 2 461.701 3.070 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001298740946 1064556541 /nfs/dbraw/zinc/55/65/41/1064556541.db2.gz YAGLEDPVGBTGMY-XLGIIRLISA-N 1 2 489.636 3.012 20 0 JGADLO CN(CCOC(C)(C)C)c1nnc([C@H]2CCCO2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001298756415 1064566020 /nfs/dbraw/zinc/56/60/20/1064566020.db2.gz NOZQQJQEIMLVGA-FCHUYYIVSA-N 1 2 457.619 3.454 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001298952908 1064743852 /nfs/dbraw/zinc/74/38/52/1064743852.db2.gz HDIPPCGRFFKNCC-UYAOXDASSA-N 1 2 479.629 3.363 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(CC2CCCC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001298995037 1064777404 /nfs/dbraw/zinc/77/74/04/1064777404.db2.gz ZXGFLUMTDGRKMU-QGZVFWFLSA-N 1 2 453.566 3.202 20 0 JGADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001299006191 1064788951 /nfs/dbraw/zinc/78/89/51/1064788951.db2.gz KMVBTEQWNHXFRU-SSOJOUAXSA-N 1 2 481.576 3.029 20 0 JGADLO CNC(=O)c1ccc(CN(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cc1 ZINC001299041095 1064830812 /nfs/dbraw/zinc/83/08/12/1064830812.db2.gz DCYZTUCIRFKLJG-HXUWFJFHSA-N 1 2 491.640 3.141 20 0 JGADLO CNC(=O)c1ccn([C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCCc3cccc(C)[nH+]3)C2)n1 ZINC001299058938 1064849793 /nfs/dbraw/zinc/84/97/93/1064849793.db2.gz AZNPINKNJSJVHD-HXUWFJFHSA-N 1 2 464.618 3.309 20 0 JGADLO CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001299064002 1064860591 /nfs/dbraw/zinc/86/05/91/1064860591.db2.gz CNLOOTPEGPDTNQ-YADHBBJMSA-N 1 2 498.672 3.108 20 0 JGADLO CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001299064002 1064860596 /nfs/dbraw/zinc/86/05/96/1064860596.db2.gz CNLOOTPEGPDTNQ-YADHBBJMSA-N 1 2 498.672 3.108 20 0 JGADLO CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001299086861 1064893036 /nfs/dbraw/zinc/89/30/36/1064893036.db2.gz MIXKGAIAEQQLHC-YLJYHZDGSA-N 1 2 488.608 3.474 20 0 JGADLO COc1cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCC[C@@H]2C)cc(OC)c1OC ZINC001299840803 1065035572 /nfs/dbraw/zinc/03/55/72/1065035572.db2.gz BJDYGKHKRHCXAC-RBUKOAKNSA-N 1 2 473.618 3.176 20 0 JGADLO COc1cc(CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[NH+]2CCOCC2)ccc1SC ZINC001299873502 1065093333 /nfs/dbraw/zinc/09/33/33/1065093333.db2.gz PEAZYACBOQNJCW-AZUAARDMSA-N 1 2 475.659 3.260 20 0 JGADLO COc1cc(CN(C)c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)[nH+]c2)cc(OC)c1 ZINC001299876738 1065095606 /nfs/dbraw/zinc/09/56/06/1065095606.db2.gz MAGXFMKGXXTWOZ-UHFFFAOYSA-N 1 2 473.581 3.427 20 0 JGADLO COc1cc(Cn2c(CC(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)ccc1C ZINC001299885947 1065109725 /nfs/dbraw/zinc/10/97/25/1065109725.db2.gz LSDLOPLKHJOREY-DEOSSOPVSA-N 1 2 484.689 3.073 20 0 JGADLO COc1cc(Cl)ccc1-c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CC(C)(C)O ZINC001299909406 1065157384 /nfs/dbraw/zinc/15/73/84/1065157384.db2.gz XNZQMGLLSSPAHY-UHFFFAOYSA-N 1 2 477.034 3.465 20 0 JGADLO COc1cc(N(C)c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)[nH+]c2)cc(OC)c1OC ZINC001299923687 1065177897 /nfs/dbraw/zinc/17/78/97/1065177897.db2.gz MYWRUYQCNTUFSR-KRWDZBQOSA-N 1 2 468.558 3.085 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2Cc2c[nH+]ccc2OC)c1 ZINC001299946332 1065220968 /nfs/dbraw/zinc/22/09/68/1065220968.db2.gz AIPJUAYIPNQLKF-UHFFFAOYSA-N 1 2 494.596 3.109 20 0 JGADLO COc1cc2c(cc1OC)CCN(c1nnc(CC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C)CC2 ZINC001299964728 1065247284 /nfs/dbraw/zinc/24/72/84/1065247284.db2.gz VRMLMPLNVZGDDD-LJQANCHMSA-N 1 2 471.646 3.210 20 0 JGADLO COc1cc2c(cc1OC)CCN(c1nnc(CC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C)CC2 ZINC001299964728 1065247292 /nfs/dbraw/zinc/24/72/92/1065247292.db2.gz VRMLMPLNVZGDDD-LJQANCHMSA-N 1 2 471.646 3.210 20 0 JGADLO COc1cc2c(cc1OC)CCN(c1nnc(CC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C)CC2 ZINC001299964726 1065247555 /nfs/dbraw/zinc/24/75/55/1065247555.db2.gz VRMLMPLNVZGDDD-IBGZPJMESA-N 1 2 471.646 3.210 20 0 JGADLO COc1cc2c(cc1OC)CCN(c1nnc(CC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C)CC2 ZINC001299964726 1065247568 /nfs/dbraw/zinc/24/75/68/1065247568.db2.gz VRMLMPLNVZGDDD-IBGZPJMESA-N 1 2 471.646 3.210 20 0 JGADLO COc1ccc([C@H](C)N(C)c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001299986810 1065288452 /nfs/dbraw/zinc/28/84/52/1065288452.db2.gz KSFJXTXPUYDGRK-UXHICEINSA-N 1 2 450.587 3.191 20 0 JGADLO COc1ccc([C@H](C)N(C)c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001299986810 1065288463 /nfs/dbraw/zinc/28/84/63/1065288463.db2.gz KSFJXTXPUYDGRK-UXHICEINSA-N 1 2 450.587 3.191 20 0 JGADLO COc1ccc([C@H](C)N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)cc1 ZINC001299987043 1065289060 /nfs/dbraw/zinc/28/90/60/1065289060.db2.gz OKYDSWAEBVSOKV-AZUAARDMSA-N 1 2 484.626 3.283 20 0 JGADLO Cc1nc(Cc2nnc(N(C)Cc3cc(C)ccc3F)n2CC[N@H+]2CCOC[C@H]2C)cs1 ZINC001492217358 1065327619 /nfs/dbraw/zinc/32/76/19/1065327619.db2.gz ODBNHJJUTNQHQY-QGZVFWFLSA-N 1 2 458.607 3.438 20 0 JGADLO Cc1nc(Cc2nnc(N(C)Cc3cc(C)ccc3F)n2CC[N@@H+]2CCOC[C@H]2C)cs1 ZINC001492217358 1065327629 /nfs/dbraw/zinc/32/76/29/1065327629.db2.gz ODBNHJJUTNQHQY-QGZVFWFLSA-N 1 2 458.607 3.438 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1C ZINC001492276723 1065371109 /nfs/dbraw/zinc/37/11/09/1065371109.db2.gz QRFSGFHEZOCUAS-XLIONFOSSA-N 1 2 451.550 3.451 20 0 JGADLO Cc1ccc(OC(F)F)c(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001492302656 1065385978 /nfs/dbraw/zinc/38/59/78/1065385978.db2.gz IFMFRRXRPJFRME-UHFFFAOYSA-N 1 2 485.539 3.096 20 0 JGADLO Cc1ccc(OC(F)F)c(Cn2c(-c3cccn3C)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001492308174 1065389452 /nfs/dbraw/zinc/38/94/52/1065389452.db2.gz YRQBLVBVCWNVSF-UHFFFAOYSA-N 1 2 460.529 3.010 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)n2CC(C)C)cc1C ZINC001492391042 1065418960 /nfs/dbraw/zinc/41/89/60/1065418960.db2.gz KJRRDKHUXHAVPH-VWLOTQADSA-N 1 2 484.689 3.361 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001492369203 1065429630 /nfs/dbraw/zinc/42/96/30/1065429630.db2.gz MCRAWWKRGHXWNB-SFHVURJKSA-N 1 2 476.419 3.375 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001492369203 1065429636 /nfs/dbraw/zinc/42/96/36/1065429636.db2.gz MCRAWWKRGHXWNB-SFHVURJKSA-N 1 2 476.419 3.375 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCCNC(=O)C(C)C)cc1 ZINC001492385566 1065453172 /nfs/dbraw/zinc/45/31/72/1065453172.db2.gz RPLGSEPDUNLWGR-UHFFFAOYSA-N 1 2 477.613 3.049 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001492340962 1065456460 /nfs/dbraw/zinc/45/64/60/1065456460.db2.gz WZOSYBRXNOIQGH-FQEVSTJZSA-N 1 2 457.619 3.280 20 0 JGADLO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CCCNc2cccc[nH+]2)cc1 ZINC001492466173 1065514405 /nfs/dbraw/zinc/51/44/05/1065514405.db2.gz YWBAZKSNCOKXGV-LJQANCHMSA-N 1 2 465.627 3.443 20 0 JGADLO CO[C@@H]1COCC[C@H]1Cn1c(C(C)C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001300852030 1065597122 /nfs/dbraw/zinc/59/71/22/1065597122.db2.gz BRMWFSQSQHQGHZ-XUVXKRRUSA-N 1 2 463.648 3.024 20 0 JGADLO CO[C@@H]1COCC[C@@H]1Cn1c(C(C)C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001300852024 1065597225 /nfs/dbraw/zinc/59/72/25/1065597225.db2.gz BRMWFSQSQHQGHZ-HSALFYBXSA-N 1 2 463.648 3.024 20 0 JGADLO COCC(C)(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001300929650 1065729315 /nfs/dbraw/zinc/72/93/15/1065729315.db2.gz UJFCOKIDQQKAFX-QGZVFWFLSA-N 1 2 475.037 3.060 20 0 JGADLO COC[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001300962893 1065771389 /nfs/dbraw/zinc/77/13/89/1065771389.db2.gz XJHXGFNJZRJGDE-PMACEKPBSA-N 1 2 489.064 3.404 20 0 JGADLO COC[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001300991666 1065807927 /nfs/dbraw/zinc/80/79/27/1065807927.db2.gz JJFHEJRHCONYCZ-VCOUNFBDSA-N 1 2 478.037 3.260 20 0 JGADLO COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)CCC1 ZINC001301125117 1065966925 /nfs/dbraw/zinc/96/69/25/1065966925.db2.gz LYGSUTOGXSIDMD-UHFFFAOYSA-N 1 2 475.037 3.209 20 0 JGADLO C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001301179248 1066010837 /nfs/dbraw/zinc/01/08/37/1066010837.db2.gz QYXWWOAXYLXEHX-HNNXBMFYSA-N 1 2 451.976 3.182 20 0 JGADLO C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001301179248 1066010849 /nfs/dbraw/zinc/01/08/49/1066010849.db2.gz QYXWWOAXYLXEHX-HNNXBMFYSA-N 1 2 451.976 3.182 20 0 JGADLO COCC1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNc2cccc[nH+]2)CC1 ZINC001301185072 1066015181 /nfs/dbraw/zinc/01/51/81/1066015181.db2.gz FZCOZVYNJCJGSU-UHFFFAOYSA-N 1 2 482.610 3.029 20 0 JGADLO COC[C@@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301296949 1066102253 /nfs/dbraw/zinc/10/22/53/1066102253.db2.gz MDKMEHZIIVGLSX-CEXWTWQISA-N 1 2 464.010 3.265 20 0 JGADLO COC[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001301360696 1066153717 /nfs/dbraw/zinc/15/37/17/1066153717.db2.gz LOBRIQVFLNKIPO-AWEZNQCLSA-N 1 2 480.388 3.073 20 0 JGADLO COC[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001301360697 1066153742 /nfs/dbraw/zinc/15/37/42/1066153742.db2.gz LOBRIQVFLNKIPO-CQSZACIVSA-N 1 2 480.388 3.073 20 0 JGADLO COC[C@H]1CN(c2nnc(Cc3ccccc3OC)n2CCCc2cccc(C)[nH+]2)C[C@@H](C)O1 ZINC001301396918 1066177840 /nfs/dbraw/zinc/17/78/40/1066177840.db2.gz OPTNQPUFBKTWNU-NFBKMPQASA-N 1 2 465.598 3.454 20 0 JGADLO COCCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001301425540 1066220403 /nfs/dbraw/zinc/22/04/03/1066220403.db2.gz GJLCFIGLCHMCOV-UHFFFAOYSA-N 1 2 479.633 3.346 20 0 JGADLO COCCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001301430869 1066228390 /nfs/dbraw/zinc/22/83/90/1066228390.db2.gz RTYOMNYISKTRLE-FQEVSTJZSA-N 1 2 462.683 3.062 20 0 JGADLO COCC[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001301438781 1066242119 /nfs/dbraw/zinc/24/21/19/1066242119.db2.gz RKMQVZNWHALHQU-XMMPIXPASA-N 1 2 488.539 3.056 20 0 JGADLO COCCO[C@@H](C)c1nnc(N(C)[C@H]2CCOC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001301967006 1066271766 /nfs/dbraw/zinc/27/17/66/1066271766.db2.gz YCOAWRHPOZMAEO-FPOVZHCZSA-N 1 2 458.607 3.051 20 0 JGADLO C[S@@](=O)Cc1cccc(C(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)c1 ZINC001301977391 1066282283 /nfs/dbraw/zinc/28/22/83/1066282283.db2.gz GQFHFOKRMFKISV-JGCGQSQUSA-N 1 2 458.584 3.270 20 0 JGADLO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NC(=O)c3cnc(C(F)(F)F)nc3)c2)CC1 ZINC001301977444 1066282970 /nfs/dbraw/zinc/28/29/70/1066282970.db2.gz IEHWYCJEWRLMRW-UHFFFAOYSA-N 1 2 452.437 3.200 20 0 JGADLO COCCC1(Cn2c(-c3ccccc3Br)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001301472259 1066296319 /nfs/dbraw/zinc/29/63/19/1066296319.db2.gz SFCYJYLOPATIFD-UHFFFAOYSA-N 1 2 478.435 3.293 20 0 JGADLO C[C@H]([C@H](C)N(C)c1nnc(C2CCCC2)n1CC[N@@H+]1CCc2ccccc2C1)S(C)(=O)=O ZINC001301988338 1066304354 /nfs/dbraw/zinc/30/43/54/1066304354.db2.gz CPJBGTGDHICCNE-RBUKOAKNSA-N 1 2 459.660 3.252 20 0 JGADLO C[C@H]([C@H](C)N(C)c1nnc(C2CCCC2)n1CC[N@H+]1CCc2ccccc2C1)S(C)(=O)=O ZINC001301988338 1066304365 /nfs/dbraw/zinc/30/43/65/1066304365.db2.gz CPJBGTGDHICCNE-RBUKOAKNSA-N 1 2 459.660 3.252 20 0 JGADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1CCc1cn2ccccc2[nH+]1 ZINC001301992258 1066314669 /nfs/dbraw/zinc/31/46/69/1066314669.db2.gz ZDWRSFPUVPOMRL-SJORKVTESA-N 1 2 470.574 3.232 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[C@H](c3cccc(C)c3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302012825 1066357280 /nfs/dbraw/zinc/35/72/80/1066357280.db2.gz DIFVYSAZDVEGCN-GGAORHGYSA-N 1 2 471.646 3.415 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[C@H](c3cccc(C)c3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001302012825 1066357296 /nfs/dbraw/zinc/35/72/96/1066357296.db2.gz DIFVYSAZDVEGCN-GGAORHGYSA-N 1 2 471.646 3.415 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302026973 1066388408 /nfs/dbraw/zinc/38/84/08/1066388408.db2.gz WVJFTQDWQWHQFD-QGZVFWFLSA-N 1 2 477.572 3.282 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC(CC(F)(F)F)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001302026973 1066388419 /nfs/dbraw/zinc/38/84/19/1066388419.db2.gz WVJFTQDWQWHQFD-QGZVFWFLSA-N 1 2 477.572 3.282 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302042259 1066418459 /nfs/dbraw/zinc/41/84/59/1066418459.db2.gz JOAUBUFTSLJNDF-OKZBNKHCSA-N 1 2 479.572 3.125 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302042259 1066418463 /nfs/dbraw/zinc/41/84/63/1066418463.db2.gz JOAUBUFTSLJNDF-OKZBNKHCSA-N 1 2 479.572 3.125 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@H]1CCCSC1 ZINC001302044404 1066425333 /nfs/dbraw/zinc/42/53/33/1066425333.db2.gz VTICLERXAFUHMD-ZWKOTPCHSA-N 1 2 460.648 3.169 20 0 JGADLO CC(C)(C)c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302052853 1066442424 /nfs/dbraw/zinc/44/24/24/1066442424.db2.gz BATVLBVJCFKTND-JOCHJYFZSA-N 1 2 468.646 3.131 20 0 JGADLO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001302078792 1066492696 /nfs/dbraw/zinc/49/26/96/1066492696.db2.gz BYQQVKBAONIYRH-UHFFFAOYSA-N 1 2 477.650 3.252 20 0 JGADLO CC(C)(C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001302078792 1066492704 /nfs/dbraw/zinc/49/27/04/1066492704.db2.gz BYQQVKBAONIYRH-UHFFFAOYSA-N 1 2 477.650 3.252 20 0 JGADLO CC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001301635334 1066498149 /nfs/dbraw/zinc/49/81/49/1066498149.db2.gz NKTDTZOHPFVMSN-UHFFFAOYSA-N 1 2 468.993 3.338 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCc1ccc(Cl)cc1 ZINC001302083687 1066505594 /nfs/dbraw/zinc/50/55/94/1066505594.db2.gz IJIAXNJEBXVEQH-GOSISDBHSA-N 1 2 486.020 3.323 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302083711 1066505976 /nfs/dbraw/zinc/50/59/76/1066505976.db2.gz IVFSISJUOGLJTH-VQTJNVASSA-N 1 2 497.619 3.366 20 0 JGADLO CC(=O)N(C)C1CCN(c2nnc(CCc3ccccc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001301642233 1066507076 /nfs/dbraw/zinc/50/70/76/1066507076.db2.gz YHQGKCVBIHUGJA-UHFFFAOYSA-N 1 2 461.614 3.408 20 0 JGADLO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001301644496 1066509002 /nfs/dbraw/zinc/50/90/02/1066509002.db2.gz NIOUEXHVHGTGNE-UHFFFAOYSA-N 1 2 481.576 3.341 20 0 JGADLO CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)(C)C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001301648533 1066513649 /nfs/dbraw/zinc/51/36/49/1066513649.db2.gz QAYINOGGZLGQEO-XLIONFOSSA-N 1 2 462.589 3.461 20 0 JGADLO COCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001301654554 1066524123 /nfs/dbraw/zinc/52/41/23/1066524123.db2.gz NXZIQKXWMUDZOY-UHFFFAOYSA-N 1 2 458.010 3.152 20 0 JGADLO COCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001301655492 1066524377 /nfs/dbraw/zinc/52/43/77/1066524377.db2.gz XZNIYLWHMWWXDR-UHFFFAOYSA-N 1 2 450.587 3.132 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001302096758 1066528136 /nfs/dbraw/zinc/52/81/36/1066528136.db2.gz IPNGOTRMZYECOB-LPHOPBHVSA-N 1 2 480.491 3.004 20 0 JGADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(C)CC2)CC1 ZINC001301659797 1066529314 /nfs/dbraw/zinc/52/93/14/1066529314.db2.gz MUSHVYOUTIARHK-SFHVURJKSA-N 1 2 475.037 3.062 20 0 JGADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nnc(-c3ccccc3C)n2CC2(C)CCCC2)CC1 ZINC001301661066 1066530643 /nfs/dbraw/zinc/53/06/43/1066530643.db2.gz RETSYOUEIJKSGD-QFIPXVFZSA-N 1 2 482.673 3.497 20 0 JGADLO COCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001301662419 1066534256 /nfs/dbraw/zinc/53/42/56/1066534256.db2.gz YRUULECZCCSRPQ-UHFFFAOYSA-N 1 2 497.688 3.378 20 0 JGADLO COCCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001301683132 1066566104 /nfs/dbraw/zinc/56/61/04/1066566104.db2.gz LPZZXDKUFOPDQD-MOPGFXCFSA-N 1 2 484.576 3.308 20 0 JGADLO COCCN(C)c1nnc(-c2ccc(Cl)cc2F)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001301690594 1066578093 /nfs/dbraw/zinc/57/80/93/1066578093.db2.gz FWZKROBNFUTMKR-INIZCTEOSA-N 1 2 474.968 3.489 20 0 JGADLO COc1ccc([C@@H]2CN(C(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)CC[NH2+]2)cc1 ZINC001302185615 1066663432 /nfs/dbraw/zinc/66/34/32/1066663432.db2.gz VBHCLRIDVMWWPY-DEOSSOPVSA-N 1 2 450.560 3.456 20 0 JGADLO CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(N(C)C)[nH+]c2)[C@H](C)C1 ZINC001301744238 1066668733 /nfs/dbraw/zinc/66/87/33/1066668733.db2.gz KDUJRYYPNKFOFW-QGZVFWFLSA-N 1 2 468.005 3.089 20 0 JGADLO COCCOC[C@H]1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302195766 1066685124 /nfs/dbraw/zinc/68/51/24/1066685124.db2.gz NFNXKJOJIPMYNM-IBGZPJMESA-N 1 2 454.550 3.083 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CC1 ZINC001301765586 1066706731 /nfs/dbraw/zinc/70/67/31/1066706731.db2.gz YCRCTFBLOQOKKY-LJQANCHMSA-N 1 2 480.613 3.174 20 0 JGADLO CC(C)(C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001302211046 1066710565 /nfs/dbraw/zinc/71/05/65/1066710565.db2.gz LTAODMCSRAYFGH-UHFFFAOYSA-N 1 2 481.576 3.023 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC3CCCC3)nnc2N(C)[C@H](C)c2cccc(O)c2)CC1 ZINC001301769972 1066713432 /nfs/dbraw/zinc/71/34/32/1066713432.db2.gz HJYIZHZWBZWQAT-LJQANCHMSA-N 1 2 454.619 3.078 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N(CCC(C)C)C2CC2)CC1 ZINC001301771028 1066714227 /nfs/dbraw/zinc/71/42/27/1066714227.db2.gz SIJXOOISVPAQLZ-UHFFFAOYSA-N 1 2 456.610 3.187 20 0 JGADLO COCCN(CC(C)C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001301771644 1066714848 /nfs/dbraw/zinc/71/48/48/1066714848.db2.gz YGBPJJTYNCIPLZ-IBGZPJMESA-N 1 2 453.591 3.050 20 0 JGADLO COCCN(CC(C)C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001301772110 1066715249 /nfs/dbraw/zinc/71/52/49/1066715249.db2.gz DIFMDYFEVYCGLB-PWRODBHTSA-N 1 2 451.656 3.026 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001301775421 1066721423 /nfs/dbraw/zinc/72/14/23/1066721423.db2.gz PWFDHOPPJNLZMN-UHFFFAOYSA-N 1 2 466.655 3.234 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001301775703 1066721955 /nfs/dbraw/zinc/72/19/55/1066721955.db2.gz SDKIZIYOJZNWRG-IFMALSPDSA-N 1 2 468.646 3.120 20 0 JGADLO CC(=O)Nc1ccc(CCn2c(CC(C)C)nnc2N2CC[NH+](Cc3cc(C)no3)CC2)cc1 ZINC001301779422 1066727590 /nfs/dbraw/zinc/72/75/90/1066727590.db2.gz WBGZZCFSANHHKD-UHFFFAOYSA-N 1 2 465.602 3.296 20 0 JGADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001301782936 1066731993 /nfs/dbraw/zinc/73/19/93/1066731993.db2.gz TZSVFFBDCGMVAU-KRWDZBQOSA-N 1 2 453.340 3.482 20 0 JGADLO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C)n3)n2CCCNc2cccc[nH+]2)CC1 ZINC001301805603 1066757554 /nfs/dbraw/zinc/75/75/54/1066757554.db2.gz RMPQWPVBALUKIO-UHFFFAOYSA-N 1 2 462.602 3.429 20 0 JGADLO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001301828627 1066794588 /nfs/dbraw/zinc/79/45/88/1066794588.db2.gz PHVGXIPEXIOGDS-OAQYLSRUSA-N 1 2 451.550 3.010 20 0 JGADLO CC(=O)NC1CCN(c2nnc(COc3ccc(F)cc3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001301850617 1066825459 /nfs/dbraw/zinc/82/54/59/1066825459.db2.gz CRQLGDJCRBBATJ-UHFFFAOYSA-N 1 2 466.561 3.437 20 0 JGADLO CC(C)(C)OC(=O)NCCn1c(CCOc2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001302275434 1066839343 /nfs/dbraw/zinc/83/93/43/1066839343.db2.gz KTYIZTKCHNRUHZ-UHFFFAOYSA-N 1 2 493.612 3.146 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001301859754 1066844335 /nfs/dbraw/zinc/84/43/35/1066844335.db2.gz VSNSGEFURNNYSB-FQEVSTJZSA-N 1 2 453.635 3.362 20 0 JGADLO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001302278942 1066847409 /nfs/dbraw/zinc/84/74/09/1066847409.db2.gz VPLCPRTVOWKSAP-WOJBJXKFSA-N 1 2 492.665 3.124 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(F)(F)F)CC2)n1Cc1c[nH+]ccc1OC ZINC001302280297 1066848125 /nfs/dbraw/zinc/84/81/25/1066848125.db2.gz UQHBDDUEBICPOL-KSSFIOAISA-N 1 2 455.481 3.233 20 0 JGADLO CC(=O)NC[C@H]1CCCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301871206 1066864879 /nfs/dbraw/zinc/86/48/79/1066864879.db2.gz DYCRPATURJYNLX-JOCHJYFZSA-N 1 2 491.640 3.336 20 0 JGADLO CC(=O)NCC1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001301878464 1066881629 /nfs/dbraw/zinc/88/16/29/1066881629.db2.gz AIWOAFKFGQIQKG-UHFFFAOYSA-N 1 2 468.005 3.460 20 0 JGADLO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCCNc1cccc[nH+]1 ZINC001302329663 1066930340 /nfs/dbraw/zinc/93/03/40/1066930340.db2.gz JBXSKLJRLWKIPM-WOIUINJBSA-N 1 2 469.634 3.186 20 0 JGADLO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCCNc1cccc[nH+]1 ZINC001302329347 1066930378 /nfs/dbraw/zinc/93/03/78/1066930378.db2.gz FRHXJLRUJFOLRU-QKNQBKEWSA-N 1 2 490.674 3.107 20 0 JGADLO CON(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001302357038 1066948892 /nfs/dbraw/zinc/94/88/92/1066948892.db2.gz JBRJNWIZGIXDOS-INIZCTEOSA-N 1 2 458.950 3.177 20 0 JGADLO CC(C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001302364633 1066955118 /nfs/dbraw/zinc/95/51/18/1066955118.db2.gz OZGVDKGITKKPEY-UHFFFAOYSA-N 1 2 475.366 3.339 20 0 JGADLO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001302398454 1066978333 /nfs/dbraw/zinc/97/83/33/1066978333.db2.gz PCHYVAVLVSZXFL-UHFFFAOYSA-N 1 2 479.604 3.212 20 0 JGADLO COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(CC(C)(C)C)n2CCc2cn3ccccc3[nH+]2)C1 ZINC001301943647 1066994222 /nfs/dbraw/zinc/99/42/22/1066994222.db2.gz QMMHHZZOZVIKET-UXHICEINSA-N 1 2 481.645 3.125 20 0 JGADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001302410896 1066995024 /nfs/dbraw/zinc/99/50/24/1066995024.db2.gz WEKURWCGFDDBGT-DHIUTWEWSA-N 1 2 482.673 3.390 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001302412283 1066997207 /nfs/dbraw/zinc/99/72/07/1066997207.db2.gz UEWNCVZFJRATPV-LAUBAEHRSA-N 1 2 498.582 3.057 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001302412285 1066997400 /nfs/dbraw/zinc/99/74/00/1066997400.db2.gz UEWNCVZFJRATPV-UWJYYQICSA-N 1 2 498.582 3.057 20 0 JGADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001302417633 1067000573 /nfs/dbraw/zinc/00/05/73/1067000573.db2.gz OSJIGZNZPYIHCE-NRFANRHFSA-N 1 2 453.635 3.261 20 0 JGADLO CC1(C)C[N@H+](CCn2c(-c3ccccc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CCO1 ZINC001303979180 1067026633 /nfs/dbraw/zinc/02/66/33/1067026633.db2.gz BYTZNVWTHHLDII-UHFFFAOYSA-N 1 2 465.520 3.404 20 0 JGADLO CC1(C)C[N@@H+](CCn2c(-c3ccccc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CCO1 ZINC001303979180 1067026651 /nfs/dbraw/zinc/02/66/51/1067026651.db2.gz BYTZNVWTHHLDII-UHFFFAOYSA-N 1 2 465.520 3.404 20 0 JGADLO CC1=C(Br)CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)CC1 ZINC001304001180 1067044773 /nfs/dbraw/zinc/04/47/73/1067044773.db2.gz NJNIALLJPXTJHA-INIZCTEOSA-N 1 2 460.380 3.005 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H](C)[NH+]2CCOCC2)c1C ZINC001304018409 1067062760 /nfs/dbraw/zinc/06/27/60/1067062760.db2.gz JIMQJTGVCYMHCL-NNWRFLSQSA-N 1 2 457.619 3.228 20 0 JGADLO Cc1noc(C)c1Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001304020699 1067064667 /nfs/dbraw/zinc/06/46/67/1067064667.db2.gz VRSIKCLJUFIVQU-OAQYLSRUSA-N 1 2 468.602 3.456 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1C ZINC001304031323 1067079183 /nfs/dbraw/zinc/07/91/83/1067079183.db2.gz SQZIVDATJVFAEU-VXKWHMMOSA-N 1 2 489.686 3.248 20 0 JGADLO CC(C)[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001302483700 1067083029 /nfs/dbraw/zinc/08/30/29/1067083029.db2.gz GBJPEQUAUHKKTP-RDPSFJRHSA-N 1 2 472.659 3.262 20 0 JGADLO CC[N@@H+]1C[C@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)C(C)(C)C1 ZINC001304040909 1067084453 /nfs/dbraw/zinc/08/44/53/1067084453.db2.gz CECRAAWMTWDTEP-NRFANRHFSA-N 1 2 450.608 3.388 20 0 JGADLO CC[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)C(C)(C)C1 ZINC001304040909 1067084468 /nfs/dbraw/zinc/08/44/68/1067084468.db2.gz CECRAAWMTWDTEP-NRFANRHFSA-N 1 2 450.608 3.388 20 0 JGADLO Cc1nc(CCn2c(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)sc1C ZINC001304050762 1067092778 /nfs/dbraw/zinc/09/27/78/1067092778.db2.gz RQYHOUOMTBOSCX-GOSISDBHSA-N 1 2 473.691 3.025 20 0 JGADLO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CCc1ccc(O)cc1)[NH+]1CCOCC1 ZINC001302510770 1067119462 /nfs/dbraw/zinc/11/94/62/1067119462.db2.gz NVBLQHIGRMFJGI-QPPBQGQZSA-N 1 2 498.672 3.034 20 0 JGADLO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCCCCC1)[NH+]1CCOCC1 ZINC001302514079 1067129391 /nfs/dbraw/zinc/12/93/91/1067129391.db2.gz NKBSLDKRVONCSF-HXUWFJFHSA-N 1 2 455.607 3.053 20 0 JGADLO CSC(C)(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001302516121 1067135102 /nfs/dbraw/zinc/13/51/02/1067135102.db2.gz NGUZMBVVADXCDO-UHFFFAOYSA-N 1 2 455.632 3.245 20 0 JGADLO Cc1occc1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001304092617 1067136282 /nfs/dbraw/zinc/13/62/82/1067136282.db2.gz OOIAGBODSXLBHE-PZJWPPBQSA-N 1 2 475.590 3.160 20 0 JGADLO Cc1ccsc1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001304102455 1067143335 /nfs/dbraw/zinc/14/33/35/1067143335.db2.gz FGHLJYVODWKAKS-UHFFFAOYSA-N 1 2 479.448 3.233 20 0 JGADLO CS[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001302544198 1067177746 /nfs/dbraw/zinc/17/77/46/1067177746.db2.gz CMPPOELXCYJIDN-AWEZNQCLSA-N 1 2 480.436 3.406 20 0 JGADLO CS[C@H](C)Cn1c(-c2cc(F)ccc2Br)nnc1N(C)CC[NH+]1CCOCC1 ZINC001302548256 1067184771 /nfs/dbraw/zinc/18/47/71/1067184771.db2.gz NPMJDKAHOWTQCS-CQSZACIVSA-N 1 2 472.428 3.367 20 0 JGADLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)C2)c1 ZINC001302563520 1067203366 /nfs/dbraw/zinc/20/33/66/1067203366.db2.gz XKXZCMLHIHDZIU-ZCYQVOJMSA-N 1 2 451.611 3.465 20 0 JGADLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)C2)c1 ZINC001302563520 1067203373 /nfs/dbraw/zinc/20/33/73/1067203373.db2.gz XKXZCMLHIHDZIU-ZCYQVOJMSA-N 1 2 451.611 3.465 20 0 JGADLO CC(C)c1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CC1(C(N)=O)CCCC1 ZINC001302571949 1067211625 /nfs/dbraw/zinc/21/16/25/1067211625.db2.gz IUQPDURARAXHKJ-GOSISDBHSA-N 1 2 460.648 3.018 20 0 JGADLO CC(C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001302575824 1067213782 /nfs/dbraw/zinc/21/37/82/1067213782.db2.gz RUFGXRGQFCWSEV-UHFFFAOYSA-N 1 2 468.627 3.485 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001304168281 1067215326 /nfs/dbraw/zinc/21/53/26/1067215326.db2.gz GCXFTQAOPDJUJB-YADHBBJMSA-N 1 2 457.619 3.200 20 0 JGADLO CS[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1)C(C)(C)C ZINC001302577683 1067215666 /nfs/dbraw/zinc/21/56/66/1067215666.db2.gz KEHYFQDWJMOHAW-UNMCSNQZSA-N 1 2 489.734 3.282 20 0 JGADLO CS[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)C(C)(C)C ZINC001302577681 1067215844 /nfs/dbraw/zinc/21/58/44/1067215844.db2.gz KEHYFQDWJMOHAW-IRLDBZIGSA-N 1 2 489.734 3.282 20 0 JGADLO CS[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C(C)(C)C ZINC001302578197 1067216183 /nfs/dbraw/zinc/21/61/83/1067216183.db2.gz LRCRGZBQFKQKKX-AZUAARDMSA-N 1 2 473.691 3.184 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCSC[C@H]3C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304182972 1067233539 /nfs/dbraw/zinc/23/35/39/1067233539.db2.gz FUYKJMKJWTWMPD-OAQYLSRUSA-N 1 2 472.703 3.442 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCSC[C@H]3C)n2CC[N@H+]2CCN(C)C(C)(C)C2)c1 ZINC001304182972 1067233543 /nfs/dbraw/zinc/23/35/43/1067233543.db2.gz FUYKJMKJWTWMPD-OAQYLSRUSA-N 1 2 472.703 3.442 20 0 JGADLO Cc1cccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)c1 ZINC001304205092 1067251412 /nfs/dbraw/zinc/25/14/12/1067251412.db2.gz KYKRHZZVGZWJKR-WOJBJXKFSA-N 1 2 473.668 3.489 20 0 JGADLO CC(C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302629730 1067259996 /nfs/dbraw/zinc/25/99/96/1067259996.db2.gz WJZQWVPZNSEXET-NRFANRHFSA-N 1 2 499.660 3.375 20 0 JGADLO CSc1cc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[NH+]2CCOCC2)ccn1 ZINC001302637557 1067267878 /nfs/dbraw/zinc/26/78/78/1067267878.db2.gz XEWUBBLDFWXVMY-GOSISDBHSA-N 1 2 486.617 3.491 20 0 JGADLO Cc1cc(Cl)ccc1OCCCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001304233501 1067272190 /nfs/dbraw/zinc/27/21/90/1067272190.db2.gz FTQGKKIUZGPLGG-UZKOGDIHSA-N 1 2 492.064 3.179 20 0 JGADLO Cc1cc(N2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cc(F)ccc3F)CC2)nc(C(C)C)[nH+]1 ZINC001304245314 1067280554 /nfs/dbraw/zinc/28/05/54/1067280554.db2.gz KUHQVDGOHTWLFZ-UHFFFAOYSA-N 1 2 498.582 3.291 20 0 JGADLO Cc1cc(N2CCN(c3nnc([C@@H]4CCCCO4)n3C[C@@](C)(O)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001304245557 1067280669 /nfs/dbraw/zinc/28/06/69/1067280669.db2.gz MGAYRKYCSRYEMS-NBGIEHNGSA-N 1 2 471.650 3.475 20 0 JGADLO Cc1cc(Cn2c(CC(C)C)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n(C)n1 ZINC001304245597 1067281217 /nfs/dbraw/zinc/28/12/17/1067281217.db2.gz NJODLWBWPMQFEK-UHFFFAOYSA-N 1 2 451.623 3.115 20 0 JGADLO Cc1cc(N2CCN(c3nnc(-c4ccccn4)n3CCC(C)(C)O)CC2)nc(C(C)C)[nH+]1 ZINC001304246509 1067281761 /nfs/dbraw/zinc/28/17/61/1067281761.db2.gz ZTLKDTOGVIVXIS-UHFFFAOYSA-N 1 2 450.591 3.050 20 0 JGADLO CSc1ccccc1CN(C)c1nnc(-c2ccc(C)o2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001302661248 1067288305 /nfs/dbraw/zinc/28/83/05/1067288305.db2.gz TZJFHGMJWDXBDL-UHFFFAOYSA-N 1 2 468.627 3.369 20 0 JGADLO Cc1cccc(O[C@@H](C)Cn2c(CC(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC001304255159 1067290544 /nfs/dbraw/zinc/29/05/44/1067290544.db2.gz YOCIKPUHUOPPNE-GOTSBHOMSA-N 1 2 482.673 3.385 20 0 JGADLO CS[C@@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001302675641 1067301261 /nfs/dbraw/zinc/30/12/61/1067301261.db2.gz ACCXVXKXMSDXMC-TYPHKJRUSA-N 1 2 495.690 3.344 20 0 JGADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001302678993 1067305122 /nfs/dbraw/zinc/30/51/22/1067305122.db2.gz INFGJJZMFQPRNP-YPAWHYETSA-N 1 2 474.694 3.376 20 0 JGADLO CC(C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001302682942 1067308821 /nfs/dbraw/zinc/30/88/21/1067308821.db2.gz NCQITDZXTVNQEX-UHFFFAOYSA-N 1 2 451.541 3.397 20 0 JGADLO Cc1ccc(C(C)C)c(OCc2nnc(N(C)Cc3cnccn3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001304273287 1067309380 /nfs/dbraw/zinc/30/93/80/1067309380.db2.gz LCYDDWPSURXBME-OAQYLSRUSA-N 1 2 479.629 3.436 20 0 JGADLO Cc1ccc([C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)[NH+]2CCOCC2)cc1 ZINC001304275426 1067313143 /nfs/dbraw/zinc/31/31/43/1067313143.db2.gz PQTJPDRTXDAFBP-QHCPKHFHSA-N 1 2 482.673 3.478 20 0 JGADLO Cc1ccc([C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)[NH+]2CCOCC2)cc1 ZINC001304275423 1067313219 /nfs/dbraw/zinc/31/32/19/1067313219.db2.gz PQTJPDRTXDAFBP-HSZRJFAPSA-N 1 2 482.673 3.478 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001302692173 1067317499 /nfs/dbraw/zinc/31/74/99/1067317499.db2.gz GXFPKTQSJXFBKT-WOJBJXKFSA-N 1 2 454.610 3.068 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N(C)CCc3nccs3)n2CC[N@H+]2CCOC[C@@H]2C)c1 ZINC001304282701 1067323585 /nfs/dbraw/zinc/32/35/85/1067323585.db2.gz OKOXOBVFMIYWJI-FQEVSTJZSA-N 1 2 470.643 3.330 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N(C)CCc3nccs3)n2CC[N@@H+]2CCOC[C@@H]2C)c1 ZINC001304282701 1067323599 /nfs/dbraw/zinc/32/35/99/1067323599.db2.gz OKOXOBVFMIYWJI-FQEVSTJZSA-N 1 2 470.643 3.330 20 0 JGADLO CC(C)c1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302704643 1067327243 /nfs/dbraw/zinc/32/72/43/1067327243.db2.gz LCHJPJJIDROTMP-QZTJIDSGSA-N 1 2 462.664 3.454 20 0 JGADLO CC(C)c1nnc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001302704643 1067327250 /nfs/dbraw/zinc/32/72/50/1067327250.db2.gz LCHJPJJIDROTMP-QZTJIDSGSA-N 1 2 462.664 3.454 20 0 JGADLO CSC[C@@H]1CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302709682 1067331906 /nfs/dbraw/zinc/33/19/06/1067331906.db2.gz QCDGDDSWIVHWTL-KRWDZBQOSA-N 1 2 471.656 3.111 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001302721772 1067337444 /nfs/dbraw/zinc/33/74/44/1067337444.db2.gz DMPGIHDFNRGPFT-BVSLBCMMSA-N 1 2 486.686 3.189 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302724286 1067339851 /nfs/dbraw/zinc/33/98/51/1067339851.db2.gz DGSPVAHRFOCUAE-GHTZIAJQSA-N 1 2 475.659 3.479 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[N@H+]1CCOCC1(C)C ZINC001302724286 1067339861 /nfs/dbraw/zinc/33/98/61/1067339861.db2.gz DGSPVAHRFOCUAE-GHTZIAJQSA-N 1 2 475.659 3.479 20 0 JGADLO CSCC[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[N@@H+]1CCOCC1(C)C ZINC001302724293 1067340113 /nfs/dbraw/zinc/34/01/13/1067340113.db2.gz DGSPVAHRFOCUAE-WIYYLYMNSA-N 1 2 475.659 3.479 20 0 JGADLO CSCC[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC[N@H+]1CCOCC1(C)C ZINC001302724293 1067340127 /nfs/dbraw/zinc/34/01/27/1067340127.db2.gz DGSPVAHRFOCUAE-WIYYLYMNSA-N 1 2 475.659 3.479 20 0 JGADLO Cc1ccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2ccc(N(C)C)[nH+]c2)cc1Br ZINC001304295296 1067344622 /nfs/dbraw/zinc/34/46/22/1067344622.db2.gz ZCDMIADVQPSEJC-OAHLLOKOSA-N 1 2 486.418 3.225 20 0 JGADLO CSCC[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001302731901 1067346010 /nfs/dbraw/zinc/34/60/10/1067346010.db2.gz OGZBLWCOFHHXCK-PZJWPPBQSA-N 1 2 498.701 3.386 20 0 JGADLO Cc1ccc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC001304298019 1067347244 /nfs/dbraw/zinc/34/72/44/1067347244.db2.gz SOLTYSPMNXUMAE-OALUTQOASA-N 1 2 482.610 3.397 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCC=CO2)cc1Br ZINC001304304887 1067353378 /nfs/dbraw/zinc/35/33/78/1067353378.db2.gz VDSSEUAKHCNHKX-LJQANCHMSA-N 1 2 476.419 3.477 20 0 JGADLO CSCCCCCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001302746600 1067354935 /nfs/dbraw/zinc/35/49/35/1067354935.db2.gz QPABVJKCUMZUQB-FQEVSTJZSA-N 1 2 471.675 3.006 20 0 JGADLO CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N[C@H](CO)Cc3c[nH]c[nH+]3)cs2)cc1 ZINC001302759634 1067362882 /nfs/dbraw/zinc/36/28/82/1067362882.db2.gz XAYMNCNQERBZFE-KRWDZBQOSA-N 1 2 457.556 3.137 20 0 JGADLO CC(C)(C)OC(=O)Nc1ccc(Cc2nc(C(=O)N[C@H](CO)Cc3c[nH+]c[nH]3)cs2)cc1 ZINC001302759634 1067362894 /nfs/dbraw/zinc/36/28/94/1067362894.db2.gz XAYMNCNQERBZFE-KRWDZBQOSA-N 1 2 457.556 3.137 20 0 JGADLO CSCCCCn1c(Cc2ccccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001302767557 1067366247 /nfs/dbraw/zinc/36/62/47/1067366247.db2.gz MLXLGKKDSAAKJL-JOCHJYFZSA-N 1 2 484.714 3.453 20 0 JGADLO Cc1ccc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CCCNc2cccc[nH+]2)o1 ZINC001304323901 1067371881 /nfs/dbraw/zinc/37/18/81/1067371881.db2.gz ZRHZKFBUEYGALQ-UHFFFAOYSA-N 1 2 451.575 3.438 20 0 JGADLO Cc1ccc(-c2nnc(N3CC[NH+](C[C@H](O)c4ccccc4)CC3)n2CC[S@](=O)C(C)(C)C)o1 ZINC001304324654 1067373362 /nfs/dbraw/zinc/37/33/62/1067373362.db2.gz QRPBIYWMBBVDJL-TXRXYBTHSA-N 1 2 485.654 3.249 20 0 JGADLO Cc1ccc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCOCC(F)(F)C(F)F)o1 ZINC001304324781 1067373677 /nfs/dbraw/zinc/37/36/77/1067373677.db2.gz TVNDKGSZLZOZOI-UHFFFAOYSA-N 1 2 468.455 3.485 20 0 JGADLO CSCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001302803409 1067391874 /nfs/dbraw/zinc/39/18/74/1067391874.db2.gz SECNPPZEBMXDFQ-UHFFFAOYSA-N 1 2 463.051 3.096 20 0 JGADLO CSCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001302804125 1067392652 /nfs/dbraw/zinc/39/26/52/1067392652.db2.gz ZIQNXRZYICSENY-INIZCTEOSA-N 1 2 463.051 3.141 20 0 JGADLO Cc1ccc(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001304367417 1067407512 /nfs/dbraw/zinc/40/75/12/1067407512.db2.gz DJEQFWUUADSLLO-IBGZPJMESA-N 1 2 483.642 3.398 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CCc3nccs3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001304375486 1067415185 /nfs/dbraw/zinc/41/51/85/1067415185.db2.gz MKBYJYGJPUJDBM-UHFFFAOYSA-N 1 2 497.669 3.393 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CCc3nccs3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001304375486 1067415186 /nfs/dbraw/zinc/41/51/86/1067415186.db2.gz MKBYJYGJPUJDBM-UHFFFAOYSA-N 1 2 497.669 3.393 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CC[C@@H](F)C2)cc1C ZINC001304376120 1067416697 /nfs/dbraw/zinc/41/66/97/1067416697.db2.gz SWDCDABNLRQYPE-WOJBJXKFSA-N 1 2 458.582 3.054 20 0 JGADLO CC(C)Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302827516 1067417052 /nfs/dbraw/zinc/41/70/52/1067417052.db2.gz APDIXADOWXYGGP-UXHICEINSA-N 1 2 470.618 3.351 20 0 JGADLO CC(C)Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCC(=O)NC(C)(C)C ZINC001302839202 1067425809 /nfs/dbraw/zinc/42/58/09/1067425809.db2.gz BPLNLYULTPDTCV-LJQANCHMSA-N 1 2 476.691 3.353 20 0 JGADLO CC(C)Cc1nnc(N(C)CC(=O)Nc2cc(F)cc(F)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302840563 1067426976 /nfs/dbraw/zinc/42/69/76/1067426976.db2.gz YRRVNTSNTCYBFS-UHFFFAOYSA-N 1 2 457.529 3.339 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001304383219 1067431939 /nfs/dbraw/zinc/43/19/39/1067431939.db2.gz JRPQHFQCMZIZPM-HXUWFJFHSA-N 1 2 484.645 3.262 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001304383219 1067431943 /nfs/dbraw/zinc/43/19/43/1067431943.db2.gz JRPQHFQCMZIZPM-HXUWFJFHSA-N 1 2 484.645 3.262 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCS[C@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001304386471 1067440933 /nfs/dbraw/zinc/44/09/33/1067440933.db2.gz KJBFFCXKUUJNKH-LJQANCHMSA-N 1 2 472.659 3.200 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCS[C@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001304386471 1067440938 /nfs/dbraw/zinc/44/09/38/1067440938.db2.gz KJBFFCXKUUJNKH-LJQANCHMSA-N 1 2 472.659 3.200 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCSCC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1C ZINC001304386474 1067441032 /nfs/dbraw/zinc/44/10/32/1067441032.db2.gz KOHOCCHBRHEGRN-UHFFFAOYSA-N 1 2 451.600 3.210 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001304398605 1067460940 /nfs/dbraw/zinc/46/09/40/1067460940.db2.gz SVVFMZHSFQMNKA-OAQYLSRUSA-N 1 2 479.629 3.436 20 0 JGADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CCC(=O)N2CCCCCC2)cc1C ZINC001304403272 1067465269 /nfs/dbraw/zinc/46/52/69/1067465269.db2.gz DNBBDDSEAFDBBC-UHFFFAOYSA-N 1 2 498.672 3.035 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001304410467 1067476586 /nfs/dbraw/zinc/47/65/86/1067476586.db2.gz FNEHTIYTTGMNAU-XMMPIXPASA-N 1 2 484.689 3.443 20 0 JGADLO Cc1ccc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001304410467 1067476589 /nfs/dbraw/zinc/47/65/89/1067476589.db2.gz FNEHTIYTTGMNAU-XMMPIXPASA-N 1 2 484.689 3.443 20 0 JGADLO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001302898298 1067479543 /nfs/dbraw/zinc/47/95/43/1067479543.db2.gz AKAIIWJYOWZSBO-KDURUIRLSA-N 1 2 477.053 3.150 20 0 JGADLO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001302898298 1067479546 /nfs/dbraw/zinc/47/95/46/1067479546.db2.gz AKAIIWJYOWZSBO-KDURUIRLSA-N 1 2 477.053 3.150 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001304423925 1067500810 /nfs/dbraw/zinc/50/08/10/1067500810.db2.gz BBMCYCZYFPIKRQ-RBBKRZOGSA-N 1 2 457.619 3.138 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001304423925 1067500817 /nfs/dbraw/zinc/50/08/17/1067500817.db2.gz BBMCYCZYFPIKRQ-RBBKRZOGSA-N 1 2 457.619 3.138 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1C ZINC001304423980 1067500844 /nfs/dbraw/zinc/50/08/44/1067500844.db2.gz CHKQQOZPLZZQRO-GGAORHGYSA-N 1 2 457.619 3.056 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1C ZINC001304425754 1067503273 /nfs/dbraw/zinc/50/32/73/1067503273.db2.gz SSNSGRCLUCQQOV-FYYLOGMGSA-N 1 2 457.619 3.056 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1C ZINC001304425754 1067503278 /nfs/dbraw/zinc/50/32/78/1067503278.db2.gz SSNSGRCLUCQQOV-FYYLOGMGSA-N 1 2 457.619 3.056 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1C ZINC001304425760 1067503340 /nfs/dbraw/zinc/50/33/40/1067503340.db2.gz SSNSGRCLUCQQOV-JTHBVZDNSA-N 1 2 457.619 3.056 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1C ZINC001304425760 1067503345 /nfs/dbraw/zinc/50/33/45/1067503345.db2.gz SSNSGRCLUCQQOV-JTHBVZDNSA-N 1 2 457.619 3.056 20 0 JGADLO CC(C)Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001302931717 1067507092 /nfs/dbraw/zinc/50/70/92/1067507092.db2.gz JQJBVUISHZTKQY-DEOSSOPVSA-N 1 2 482.673 3.072 20 0 JGADLO CC(C)Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001302931717 1067507101 /nfs/dbraw/zinc/50/71/01/1067507101.db2.gz JQJBVUISHZTKQY-DEOSSOPVSA-N 1 2 482.673 3.072 20 0 JGADLO CC(C)Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001302932153 1067507924 /nfs/dbraw/zinc/50/79/24/1067507924.db2.gz WTLPMQREIUYJEG-NHCUHLMSSA-N 1 2 465.639 3.322 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001304431961 1067510431 /nfs/dbraw/zinc/51/04/31/1067510431.db2.gz OAABZKFHWVJDKO-IBGZPJMESA-N 1 2 486.667 3.011 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCO[C@@H](C)C2)cc1 ZINC001304435129 1067514665 /nfs/dbraw/zinc/51/46/65/1067514665.db2.gz RZJFWSVYLLXTLV-SFTDATJTSA-N 1 2 459.660 3.462 20 0 JGADLO Cc1ccc(SCc2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC001304438184 1067518041 /nfs/dbraw/zinc/51/80/41/1067518041.db2.gz WIOYYOHLINQMPK-NRFANRHFSA-N 1 2 491.727 3.482 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(CSc4ccc(C)cc4)n3CC(=O)NC(C)C)CC2)on1 ZINC001304438565 1067518672 /nfs/dbraw/zinc/51/86/72/1067518672.db2.gz ZJYDCXGLENZIIG-UHFFFAOYSA-N 1 2 483.642 3.022 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC(F)(F)c1ccccc1 ZINC001302946631 1067519841 /nfs/dbraw/zinc/51/98/41/1067519841.db2.gz PXANQYTYSCNHNF-HXUWFJFHSA-N 1 2 474.600 3.402 20 0 JGADLO Cc1cccc([C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCC(C)C)[NH+]2CCOCC2)c1 ZINC001304442448 1067523660 /nfs/dbraw/zinc/52/36/60/1067523660.db2.gz KMRIPRMHQIRORL-FGZHOGPDSA-N 1 2 454.619 3.093 20 0 JGADLO Cc1cccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCC(C)C)[NH+]2CCOCC2)c1 ZINC001304442450 1067523720 /nfs/dbraw/zinc/52/37/20/1067523720.db2.gz KMRIPRMHQIRORL-YADHBBJMSA-N 1 2 454.619 3.093 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCC[C@H]1CCCCO1 ZINC001302965348 1067535458 /nfs/dbraw/zinc/53/54/58/1067535458.db2.gz RHGPQJQNRGKXOY-RPWUZVMVSA-N 1 2 476.710 3.057 20 0 JGADLO CC(C)Cc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302986025 1067548559 /nfs/dbraw/zinc/54/85/59/1067548559.db2.gz JNLWRCXFEOZHKM-KSEOMHKRSA-N 1 2 490.693 3.327 20 0 JGADLO CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001302993975 1067554861 /nfs/dbraw/zinc/55/48/61/1067554861.db2.gz KOHLZZZPCFLMEE-CZTZKLFOSA-N 1 2 477.650 3.495 20 0 JGADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001304483874 1067563269 /nfs/dbraw/zinc/56/32/69/1067563269.db2.gz XXUOGMIQRDHUOB-XLIONFOSSA-N 1 2 485.633 3.102 20 0 JGADLO Cc1cccc(CCCn2c(C3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001304485314 1067564229 /nfs/dbraw/zinc/56/42/29/1067564229.db2.gz CVXARSPHFYLNNT-HXUWFJFHSA-N 1 2 456.591 3.222 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3COc4ccccc4O3)nnc2N(C)CCNC(=O)C(C)C)[nH+]1 ZINC001304487053 1067565682 /nfs/dbraw/zinc/56/56/82/1067565682.db2.gz RLJAXLQYFJAURH-QHCPKHFHSA-N 1 2 478.597 3.335 20 0 JGADLO Cc1cccc(CCCn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)[nH+]1 ZINC001304487464 1067566005 /nfs/dbraw/zinc/56/60/05/1067566005.db2.gz ZGDSANKTIKSMJC-HXUWFJFHSA-N 1 2 493.637 3.336 20 0 JGADLO Cc1cccc(CCCn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)[nH+]1 ZINC001304487463 1067566113 /nfs/dbraw/zinc/56/61/13/1067566113.db2.gz ZGDSANKTIKSMJC-FQEVSTJZSA-N 1 2 493.637 3.336 20 0 JGADLO CC(C)CC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001303011761 1067566489 /nfs/dbraw/zinc/56/64/89/1067566489.db2.gz UWBMRUNXNMDGIU-IBVKSMDESA-N 1 2 485.677 3.030 20 0 JGADLO Cc1cccc(CCCn2c(Cc3ccncc3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)[nH+]1 ZINC001304489126 1067567686 /nfs/dbraw/zinc/56/76/86/1067567686.db2.gz VRMSERKCEHULGG-HSZRJFAPSA-N 1 2 461.614 3.341 20 0 JGADLO CC(C)CCCn1c(-c2cccnc2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001303026654 1067578389 /nfs/dbraw/zinc/57/83/89/1067578389.db2.gz HCAWMMCQHJSTRW-QHCPKHFHSA-N 1 2 455.651 3.008 20 0 JGADLO Cc1cccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001304507174 1067580863 /nfs/dbraw/zinc/58/08/63/1067580863.db2.gz IJWFKJGLICPURF-WSTZPKSXSA-N 1 2 483.535 3.042 20 0 JGADLO Cc1cccc(OCc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001304507174 1067580871 /nfs/dbraw/zinc/58/08/71/1067580871.db2.gz IJWFKJGLICPURF-WSTZPKSXSA-N 1 2 483.535 3.042 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001304534682 1067605113 /nfs/dbraw/zinc/60/51/13/1067605113.db2.gz KLGHKNICAFMESY-FGZHOGPDSA-N 1 2 489.686 3.014 20 0 JGADLO Cc1ccccc1-c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001304534682 1067605115 /nfs/dbraw/zinc/60/51/15/1067605115.db2.gz KLGHKNICAFMESY-FGZHOGPDSA-N 1 2 489.686 3.014 20 0 JGADLO Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001304548740 1067617671 /nfs/dbraw/zinc/61/76/71/1067617671.db2.gz ZXZNHKPVACGOHD-NHCUHLMSSA-N 1 2 473.668 3.165 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001304549670 1067619027 /nfs/dbraw/zinc/61/90/27/1067619027.db2.gz AHCLPGFHFFAHSI-FYYLOGMGSA-N 1 2 498.672 3.344 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001304549670 1067619030 /nfs/dbraw/zinc/61/90/30/1067619030.db2.gz AHCLPGFHFFAHSI-FYYLOGMGSA-N 1 2 498.672 3.344 20 0 JGADLO O=C(NCc1ccc(Cl)cc1)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC(F)(F)F ZINC001303089231 1067624383 /nfs/dbraw/zinc/62/43/83/1067624383.db2.gz YDPMOLHTZIXUSU-UHFFFAOYSA-N 1 2 479.894 3.145 20 0 JGADLO CC1=CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001304595155 1067659585 /nfs/dbraw/zinc/65/95/85/1067659585.db2.gz IUBPENDDPLATMC-HXUWFJFHSA-N 1 2 474.650 3.270 20 0 JGADLO CC(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001303161748 1067698788 /nfs/dbraw/zinc/69/87/88/1067698788.db2.gz BDWHCJUUKFVECF-VQTJNVASSA-N 1 2 472.609 3.346 20 0 JGADLO Cc1nc(C)c(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304642787 1067711508 /nfs/dbraw/zinc/71/15/08/1067711508.db2.gz BFMIDDFULAJIJE-UHFFFAOYSA-N 1 2 461.035 3.412 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCS(C)(=O)=O)CC1 ZINC001303184185 1067717248 /nfs/dbraw/zinc/71/72/48/1067717248.db2.gz JMLZVJXVFQXAFI-SFHVURJKSA-N 1 2 484.066 3.284 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)cs1 ZINC001304650503 1067718509 /nfs/dbraw/zinc/71/85/09/1067718509.db2.gz ZDINKOVPHOSJJY-UHFFFAOYSA-N 1 2 482.658 3.028 20 0 JGADLO Cc1nc(Cc2nnc(N(C)Cc3c(C)noc3C)n2Cc2ccc(N(C)C)[nH+]c2)cs1 ZINC001304652026 1067719864 /nfs/dbraw/zinc/71/98/64/1067719864.db2.gz SGUZXOWBJIRPMZ-UHFFFAOYSA-N 1 2 452.588 3.384 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2CC[N@H+]2CCOC[C@@H]2C)cs1 ZINC001304659066 1067727400 /nfs/dbraw/zinc/72/74/00/1067727400.db2.gz LZHOUZCNKAJZRN-KRWDZBQOSA-N 1 2 474.606 3.009 20 0 JGADLO Cc1nc(Cc2nnc(N(C)CCOc3ccc(F)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)cs1 ZINC001304659066 1067727409 /nfs/dbraw/zinc/72/74/09/1067727409.db2.gz LZHOUZCNKAJZRN-KRWDZBQOSA-N 1 2 474.606 3.009 20 0 JGADLO Cc1nc(Cc2nnc(N(CCO)Cc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)cs1 ZINC001304660872 1067728686 /nfs/dbraw/zinc/72/86/86/1067728686.db2.gz XBYCWQAYLFJGJM-UHFFFAOYSA-N 1 2 463.611 3.142 20 0 JGADLO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C)C1=O ZINC001303195880 1067729144 /nfs/dbraw/zinc/72/91/44/1067729144.db2.gz FKEJQCYHEAMDJD-ISKFKSNPSA-N 1 2 496.700 3.461 20 0 JGADLO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C)C1=O ZINC001303195880 1067729149 /nfs/dbraw/zinc/72/91/49/1067729149.db2.gz FKEJQCYHEAMDJD-ISKFKSNPSA-N 1 2 496.700 3.461 20 0 JGADLO Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@H+]2CCOC[C@@H]2C)cs1 ZINC001304664128 1067730595 /nfs/dbraw/zinc/73/05/95/1067730595.db2.gz MVVBUAVAHZASGI-AWEZNQCLSA-N 1 2 458.554 3.133 20 0 JGADLO Cc1nc(Cc2nnc(N3CCC(C(F)(F)F)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)cs1 ZINC001304664128 1067730602 /nfs/dbraw/zinc/73/06/02/1067730602.db2.gz MVVBUAVAHZASGI-AWEZNQCLSA-N 1 2 458.554 3.133 20 0 JGADLO Cc1nc(Cc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCCNc2cccc[nH+]2)cs1 ZINC001304667579 1067735556 /nfs/dbraw/zinc/73/55/56/1067735556.db2.gz BBRWASYNODOOFM-UHFFFAOYSA-N 1 2 482.658 3.226 20 0 JGADLO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)CC[C@@H]2C)C1 ZINC001303201902 1067737815 /nfs/dbraw/zinc/73/78/15/1067737815.db2.gz RDVXRANBSUVPNB-URVUXULASA-N 1 2 489.686 3.330 20 0 JGADLO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)CC[C@@H]2C)C1 ZINC001303201902 1067737820 /nfs/dbraw/zinc/73/78/20/1067737820.db2.gz RDVXRANBSUVPNB-URVUXULASA-N 1 2 489.686 3.330 20 0 JGADLO CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001303212241 1067749699 /nfs/dbraw/zinc/74/96/99/1067749699.db2.gz CBIONCDIIARNGI-UHFFFAOYSA-N 1 2 499.019 3.417 20 0 JGADLO CC(C)COC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC1 ZINC001303216080 1067753004 /nfs/dbraw/zinc/75/30/04/1067753004.db2.gz OFTMJZIRENVPLR-FQEVSTJZSA-N 1 2 499.660 3.159 20 0 JGADLO CC(C)COc1ccc(Cn2c([C@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001303220152 1067757445 /nfs/dbraw/zinc/75/74/45/1067757445.db2.gz KBKRBRIGFFRVLC-HSZRJFAPSA-N 1 2 457.619 3.371 20 0 JGADLO CC(C)CO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC001303224798 1067761602 /nfs/dbraw/zinc/76/16/02/1067761602.db2.gz VYWZWLRRFBBLDS-JOCHJYFZSA-N 1 2 483.661 3.491 20 0 JGADLO CC(C)CO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001303230146 1067764687 /nfs/dbraw/zinc/76/46/87/1067764687.db2.gz JZJNDBUASQGVJX-UGKGYDQZSA-N 1 2 462.038 3.494 20 0 JGADLO CC(C)CO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001303230146 1067764695 /nfs/dbraw/zinc/76/46/95/1067764695.db2.gz JZJNDBUASQGVJX-UGKGYDQZSA-N 1 2 462.038 3.494 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)N4CCCC4)n3CCCC(C)(C)C)CC2)s1 ZINC001304700187 1067770539 /nfs/dbraw/zinc/77/05/39/1067770539.db2.gz KIWRYFYNQOMRBS-UHFFFAOYSA-N 1 2 459.664 3.428 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CCc3c(F)cccc3F)CC2)s1 ZINC001304700658 1067771307 /nfs/dbraw/zinc/77/13/07/1067771307.db2.gz PWBSIONSTJWMLY-UHFFFAOYSA-N 1 2 489.596 3.024 20 0 JGADLO Cc1nc(N2CCN(c3nnc(-c4ccc(Cl)cc4Cl)n3CC(=O)NC(C)C)CC2)cc[nH+]1 ZINC001304701687 1067772805 /nfs/dbraw/zinc/77/28/05/1067772805.db2.gz IOTJCIOJZYCGBC-UHFFFAOYSA-N 1 2 489.411 3.202 20 0 JGADLO Cc1[nH+]ccn1-c1ccc(Cn2c(C(C)C)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)cn1 ZINC001304701878 1067773079 /nfs/dbraw/zinc/77/30/79/1067773079.db2.gz QWZIDJCKCNCRBZ-UHFFFAOYSA-N 1 2 490.534 3.234 20 0 JGADLO Cc1nc(N2CCN(c3nnc(-c4cccc(Cl)c4)n3C[C@](C)(O)C(C)C)CC2)cc[nH+]1 ZINC001304702757 1067775031 /nfs/dbraw/zinc/77/50/31/1067775031.db2.gz XQQKZPYKMYQCAQ-QHCPKHFHSA-N 1 2 455.994 3.431 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CCc4ccccc4)n3CC[S@](=O)C(C)(C)C)CC2)cc[nH+]1 ZINC001304702737 1067775153 /nfs/dbraw/zinc/77/51/53/1067775153.db2.gz XNLAMGWCULDISF-UMSFTDKQSA-N 1 2 481.670 3.036 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CC4CCCC4)n3CCN(C)C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001304702640 1067775180 /nfs/dbraw/zinc/77/51/80/1067775180.db2.gz WYLFMKSIXVMYNI-UHFFFAOYSA-N 1 2 484.649 3.303 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2CC[N@@H+]2CCOC[C@H]2C)n1 ZINC001304745551 1067824996 /nfs/dbraw/zinc/82/49/96/1067824996.db2.gz NADBUMLEXLDYTG-OAQYLSRUSA-N 1 2 469.609 3.415 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(Cc3cccc(F)c3)C(C)C)n2CC[N@H+]2CCOC[C@H]2C)n1 ZINC001304745551 1067825004 /nfs/dbraw/zinc/82/50/04/1067825004.db2.gz NADBUMLEXLDYTG-OAQYLSRUSA-N 1 2 469.609 3.415 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)n1 ZINC001304745618 1067825118 /nfs/dbraw/zinc/82/51/18/1067825118.db2.gz RYFNTTWRQUIDOU-NRFANRHFSA-N 1 2 496.660 3.059 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)CCOc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)n1 ZINC001304745745 1067825242 /nfs/dbraw/zinc/82/52/42/1067825242.db2.gz VAPUZVCBCFQXPX-UHFFFAOYSA-N 1 2 478.576 3.303 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CC[C@@H](F)C3)CC2)C1 ZINC001303317774 1067847455 /nfs/dbraw/zinc/84/74/55/1067847455.db2.gz CSCPLIPOECGZHT-YPAWHYETSA-N 1 2 464.674 3.236 20 0 JGADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCSC3(C)C)CC2)C1 ZINC001303318157 1067848653 /nfs/dbraw/zinc/84/86/53/1067848653.db2.gz JHOBPTSDGHTJGJ-RTWAWAEBSA-N 1 2 478.751 3.339 20 0 JGADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCCC3CCOCC3)CC2)C1 ZINC001303318414 1067849750 /nfs/dbraw/zinc/84/97/50/1067849750.db2.gz RFNRZHBGQCCLGL-DEOSSOPVSA-N 1 2 490.737 3.305 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001303324067 1067853013 /nfs/dbraw/zinc/85/30/13/1067853013.db2.gz LANGUPSTUFKERK-RXVVDRJESA-N 1 2 460.598 3.110 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)CCC2CCOCC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001303340757 1067869441 /nfs/dbraw/zinc/86/94/41/1067869441.db2.gz DKZMAFLZAMUQLK-UHFFFAOYSA-N 1 2 469.565 3.042 20 0 JGADLO Cc1nnc(CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001304778768 1067874039 /nfs/dbraw/zinc/87/40/39/1067874039.db2.gz PFYGZICNODNIFV-INIZCTEOSA-N 1 2 492.049 3.243 20 0 JGADLO Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCCN(C)CC(F)(F)F ZINC001304793221 1067883075 /nfs/dbraw/zinc/88/30/75/1067883075.db2.gz ZZIJGOANFTYERB-KRWDZBQOSA-N 1 2 460.570 3.042 20 0 JGADLO COc1ccc(C[C@](C)(CO)NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cc1OC ZINC001303364883 1067892360 /nfs/dbraw/zinc/89/23/60/1067892360.db2.gz WJOVXWDOCHOICW-RUZDIDTESA-N 1 2 450.539 3.138 20 0 JGADLO Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1CCC(=O)NC1CCCCC1 ZINC001304861815 1067910468 /nfs/dbraw/zinc/91/04/68/1067910468.db2.gz XWTUNBKUOYQABG-UHFFFAOYSA-N 1 2 475.037 3.280 20 0 JGADLO Cc1noc(C)c1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001304886932 1067930810 /nfs/dbraw/zinc/93/08/10/1067930810.db2.gz PCQLOIWQWIJNQY-LDQXTDLNSA-N 1 2 460.623 3.159 20 0 JGADLO Cc1noc(C)c1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001304886932 1067930816 /nfs/dbraw/zinc/93/08/16/1067930816.db2.gz PCQLOIWQWIJNQY-LDQXTDLNSA-N 1 2 460.623 3.159 20 0 JGADLO Cc1noc(C)c1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001304886933 1067930836 /nfs/dbraw/zinc/93/08/36/1067930836.db2.gz PCQLOIWQWIJNQY-OZOXKJRCSA-N 1 2 460.623 3.159 20 0 JGADLO Cc1noc(C)c1CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001304886933 1067930841 /nfs/dbraw/zinc/93/08/41/1067930841.db2.gz PCQLOIWQWIJNQY-OZOXKJRCSA-N 1 2 460.623 3.159 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(Cc4ccc(Cl)cc4)n3CCC(C)(C)O)CC2)on1 ZINC001304901326 1067944886 /nfs/dbraw/zinc/94/48/86/1067944886.db2.gz CVASTRKGJUPNGX-UHFFFAOYSA-N 1 2 458.994 3.302 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3CCCNC(=O)OC(C)(C)C)CC2)on1 ZINC001304901787 1067945279 /nfs/dbraw/zinc/94/52/79/1067945279.db2.gz LNQORIPSPZUBEZ-UHFFFAOYSA-N 1 2 461.611 3.010 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(CCOc4ccccc4)n3CC(F)(F)F)CC2)on1 ZINC001304901972 1067945659 /nfs/dbraw/zinc/94/56/59/1067945659.db2.gz OQYJDLHRCIYFPU-UHFFFAOYSA-N 1 2 450.465 3.081 20 0 JGADLO CC(C)NC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001303427763 1067952706 /nfs/dbraw/zinc/95/27/06/1067952706.db2.gz RERYSOZDIGWGRM-HXUWFJFHSA-N 1 2 488.080 3.118 20 0 JGADLO CC(C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001303430174 1067954413 /nfs/dbraw/zinc/95/44/13/1067954413.db2.gz CVUDYZQLMPZLDH-UHFFFAOYSA-N 1 2 482.032 3.154 20 0 JGADLO CC(C)NC(=O)CN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303435381 1067958493 /nfs/dbraw/zinc/95/84/93/1067958493.db2.gz QAIQRGCKTPCJRY-GOSISDBHSA-N 1 2 493.052 3.143 20 0 JGADLO C[C@@H]1C[C@H](C)CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001304915075 1067959086 /nfs/dbraw/zinc/95/90/86/1067959086.db2.gz ALBROPITEBGNFH-KDURUIRLSA-N 1 2 497.669 3.187 20 0 JGADLO CC(C)NC(=O)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001303448091 1067969000 /nfs/dbraw/zinc/96/90/00/1067969000.db2.gz MLIQPZYVNZPLFL-UHFFFAOYSA-N 1 2 486.617 3.106 20 0 JGADLO CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3Cl)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001303481239 1068001662 /nfs/dbraw/zinc/00/16/62/1068001662.db2.gz NPPJOQIJERIXLH-YADARESESA-N 1 2 478.037 3.329 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N(C)CC(F)(F)F)n2Cc2ccc(N3CCCC3)[nH+]c2)CCOC1 ZINC001303482645 1068005034 /nfs/dbraw/zinc/00/50/34/1068005034.db2.gz WMPYIQKCDJDCFU-NRFANRHFSA-N 1 2 468.524 3.361 20 0 JGADLO CC(C)O[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H](C)c2ccc(F)cc2)CCOC1 ZINC001303487633 1068010541 /nfs/dbraw/zinc/01/05/41/1068010541.db2.gz PCYZMLMWLPECNC-CJFMBICVSA-N 1 2 475.609 3.030 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC(C)(C)c2cccs2)CCOC1 ZINC001303488023 1068011579 /nfs/dbraw/zinc/01/15/79/1068011579.db2.gz WEDQRERPCPMNIO-DEOSSOPVSA-N 1 2 477.675 3.126 20 0 JGADLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(CNC(=O)c3ncn(C(C)(C)C)n3)cc2)CC1 ZINC001303491999 1068017340 /nfs/dbraw/zinc/01/73/40/1068017340.db2.gz ICYHWHGPAPEJQE-UHFFFAOYSA-N 1 2 456.591 3.016 20 0 JGADLO C[C@H](Oc1ccccn1)C(=O)NCc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001303493439 1068018840 /nfs/dbraw/zinc/01/88/40/1068018840.db2.gz OCMJSVQQKTVYLD-IBGZPJMESA-N 1 2 454.571 3.218 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CC[C@H](C)C(C)(C)C3)n2CC(C)(C)[NH+]2CCOCC2)CCOC1 ZINC001303493914 1068019331 /nfs/dbraw/zinc/01/93/31/1068019331.db2.gz IVMSSCWYDPLTMS-NBGIEHNGSA-N 1 2 463.667 3.302 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001303504744 1068037807 /nfs/dbraw/zinc/03/78/07/1068037807.db2.gz VVGKGTDVRVXCMQ-XMSQKQJNSA-N 1 2 489.583 3.208 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001303504744 1068037820 /nfs/dbraw/zinc/03/78/20/1068037820.db2.gz VVGKGTDVRVXCMQ-XMSQKQJNSA-N 1 2 489.583 3.208 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001303504740 1068037987 /nfs/dbraw/zinc/03/79/87/1068037987.db2.gz VVGKGTDVRVXCMQ-GCJKJVERSA-N 1 2 489.583 3.208 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001303504740 1068038000 /nfs/dbraw/zinc/03/80/00/1068038000.db2.gz VVGKGTDVRVXCMQ-GCJKJVERSA-N 1 2 489.583 3.208 20 0 JGADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2CC(F)(F)F)CC1 ZINC001305016452 1068060148 /nfs/dbraw/zinc/06/01/48/1068060148.db2.gz MAYJGSUJKINFAZ-MRXNPFEDSA-N 1 2 468.499 3.170 20 0 JGADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(F)(F)F)CC1 ZINC001305017492 1068061743 /nfs/dbraw/zinc/06/17/43/1068061743.db2.gz PHCKPTBGZCPZMJ-HNNXBMFYSA-N 1 2 485.942 3.079 20 0 JGADLO C[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001305033434 1068090585 /nfs/dbraw/zinc/09/05/85/1068090585.db2.gz DJFIRJRITCRMFN-AABGKKOBSA-N 1 2 489.686 3.473 20 0 JGADLO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305033442 1068090737 /nfs/dbraw/zinc/09/07/37/1068090737.db2.gz DJFIRJRITCRMFN-SLFFLAALSA-N 1 2 489.686 3.473 20 0 JGADLO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305033442 1068090751 /nfs/dbraw/zinc/09/07/51/1068090751.db2.gz DJFIRJRITCRMFN-SLFFLAALSA-N 1 2 489.686 3.473 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001305034596 1068091443 /nfs/dbraw/zinc/09/14/43/1068091443.db2.gz KYMBKFHCVGKORR-GPMSIDNRSA-N 1 2 484.617 3.096 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001305034598 1068091482 /nfs/dbraw/zinc/09/14/82/1068091482.db2.gz KYMBKFHCVGKORR-JTDSTZFVSA-N 1 2 484.617 3.096 20 0 JGADLO C[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305042585 1068098465 /nfs/dbraw/zinc/09/84/65/1068098465.db2.gz IUPQLEVRJCXUOS-WTGUMLROSA-N 1 2 462.639 3.006 20 0 JGADLO CC1CCN(c2ccc(Cn3c(C(=O)N4CCCC4)nnc3N(C)CCOC(C)(C)C)c[nH+]2)CC1 ZINC001305066016 1068138067 /nfs/dbraw/zinc/13/80/67/1068138067.db2.gz KRKUVMFHBUCEOY-UHFFFAOYSA-N 1 2 483.661 3.445 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001305109525 1068179600 /nfs/dbraw/zinc/17/96/00/1068179600.db2.gz RASZMXLVFQMLRL-IFLJBQAJSA-N 1 2 476.666 3.252 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001305109525 1068179605 /nfs/dbraw/zinc/17/96/05/1068179605.db2.gz RASZMXLVFQMLRL-IFLJBQAJSA-N 1 2 476.666 3.252 20 0 JGADLO C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H]1C ZINC001305113768 1068190636 /nfs/dbraw/zinc/19/06/36/1068190636.db2.gz PWBYHEPDMOLYJL-HAGHYFMRSA-N 1 2 489.686 3.471 20 0 JGADLO C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H]1C ZINC001305113768 1068190643 /nfs/dbraw/zinc/19/06/43/1068190643.db2.gz PWBYHEPDMOLYJL-HAGHYFMRSA-N 1 2 489.686 3.471 20 0 JGADLO C[C@@H]1CN(c2ccc(Cn3c(N(C)Cc4ncc(Cl)n4C)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001305122548 1068206349 /nfs/dbraw/zinc/20/63/49/1068206349.db2.gz OXRJMJSEGQGOGV-MRXNPFEDSA-N 1 2 473.025 3.267 20 0 JGADLO C[C@H](CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)[NH+](C)C)c1nccs1 ZINC001303681945 1068217851 /nfs/dbraw/zinc/21/78/51/1068217851.db2.gz AQZRQOPLQPPUBS-IXDOHACOSA-N 1 2 494.712 3.241 20 0 JGADLO C[C@@H](CN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCOC[C@@H]1C)c1nccs1 ZINC001303683091 1068220017 /nfs/dbraw/zinc/22/00/17/1068220017.db2.gz YURWTWRVYIOIBQ-ROUUACIJSA-N 1 2 474.606 3.413 20 0 JGADLO C[C@@H](CN(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CCOC[C@@H]1C)c1nccs1 ZINC001303683091 1068220022 /nfs/dbraw/zinc/22/00/22/1068220022.db2.gz YURWTWRVYIOIBQ-ROUUACIJSA-N 1 2 474.606 3.413 20 0 JGADLO C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001305142502 1068239711 /nfs/dbraw/zinc/23/97/11/1068239711.db2.gz OBBLLNOSQLQNHS-OAHLLOKOSA-N 1 2 457.376 3.442 20 0 JGADLO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CC(F)(F)F)[NH+]1CCOCC1 ZINC001303697618 1068240929 /nfs/dbraw/zinc/24/09/29/1068240929.db2.gz YZMHGMPPZMSXSB-LLVKDONJSA-N 1 2 468.343 3.488 20 0 JGADLO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2cccc[nH+]2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303704804 1068249500 /nfs/dbraw/zinc/24/95/00/1068249500.db2.gz JMQBWXGAZVGSHA-IBGZPJMESA-N 1 2 478.601 3.317 20 0 JGADLO C[C@@H](Cn1c(C2CCCC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[NH+]1CCOCC1 ZINC001303714284 1068260106 /nfs/dbraw/zinc/26/01/06/1068260106.db2.gz UPTDJDDRSDXHKY-INIZCTEOSA-N 1 2 462.545 3.010 20 0 JGADLO C[C@H](Cn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303714477 1068261056 /nfs/dbraw/zinc/26/10/56/1068261056.db2.gz WONXADQWQPFLNU-RTBURBONSA-N 1 2 462.639 3.007 20 0 JGADLO C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001305155687 1068264059 /nfs/dbraw/zinc/26/40/59/1068264059.db2.gz STVPSTSINOXWHY-OAHLLOKOSA-N 1 2 457.376 3.442 20 0 JGADLO C[C@H](Cn1c(Cc2ccccn2)nnc1N(C)CCOc1cccc(Cl)c1)[NH+]1CCOCC1 ZINC001303727277 1068280538 /nfs/dbraw/zinc/28/05/38/1068280538.db2.gz DVZXLQBJBCDAEL-LJQANCHMSA-N 1 2 471.005 3.153 20 0 JGADLO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CCc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC001303731028 1068286255 /nfs/dbraw/zinc/28/62/55/1068286255.db2.gz HKQZRYMSHPHZPE-IBGZPJMESA-N 1 2 499.457 3.426 20 0 JGADLO C[C@H](Cn1c(CC2CCCC2)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC001303734859 1068291368 /nfs/dbraw/zinc/29/13/68/1068291368.db2.gz QDNKIQNHGRJGGK-YADHBBJMSA-N 1 2 482.673 3.387 20 0 JGADLO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCNc2cccc[nH+]2)CCN1CC(F)(F)F ZINC001305177908 1068292009 /nfs/dbraw/zinc/29/20/09/1068292009.db2.gz GPLXIGFYSDHKTO-QZTJIDSGSA-N 1 2 467.540 3.490 20 0 JGADLO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC(C)(C)C1 ZINC001305179375 1068294846 /nfs/dbraw/zinc/29/48/46/1068294846.db2.gz AMDBHGOGNKYBBK-HFSMHLIXSA-N 1 2 477.650 3.495 20 0 JGADLO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001303738342 1068297675 /nfs/dbraw/zinc/29/76/75/1068297675.db2.gz SRILSLCHFSFRQN-QGZVFWFLSA-N 1 2 474.968 3.402 20 0 JGADLO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cc(Cl)ccn1)[NH+]1CCOCC1 ZINC001303738340 1068297715 /nfs/dbraw/zinc/29/77/15/1068297715.db2.gz SRILSLCHFSFRQN-KRWDZBQOSA-N 1 2 474.968 3.402 20 0 JGADLO C[C@@H](Cn1c(N2CCC(CO)(Cc3ccccc3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001303739761 1068300190 /nfs/dbraw/zinc/30/01/90/1068300190.db2.gz WAMMDQKGBKYKRO-NRFANRHFSA-N 1 2 455.647 3.118 20 0 JGADLO CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)N3CCC(Nc4cccc[nH+]4)CC3)CCC2)C1 ZINC001303749138 1068309662 /nfs/dbraw/zinc/30/96/62/1068309662.db2.gz KJWCJACQTNCOBP-RUZDIDTESA-N 1 2 458.603 3.417 20 0 JGADLO CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC001303749286 1068309896 /nfs/dbraw/zinc/30/98/96/1068309896.db2.gz NAZQGZNUFYYLEY-OFVILXPXSA-N 1 2 452.555 3.301 20 0 JGADLO C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001305204992 1068329774 /nfs/dbraw/zinc/32/97/74/1068329774.db2.gz FCQJPBSTNFDXAI-KSZLIROESA-N 1 2 478.435 3.433 20 0 JGADLO C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001305204992 1068329788 /nfs/dbraw/zinc/32/97/88/1068329788.db2.gz FCQJPBSTNFDXAI-KSZLIROESA-N 1 2 478.435 3.433 20 0 JGADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001303771810 1068348728 /nfs/dbraw/zinc/34/87/28/1068348728.db2.gz QZEQYCBRXRGYDN-WMZOPIPTSA-N 1 2 471.583 3.457 20 0 JGADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)CCSc2ccc(Br)cc2)cc[nH+]1 ZINC001305220274 1068357672 /nfs/dbraw/zinc/35/76/72/1068357672.db2.gz UOHLGJXIMKBBEC-DLBZAZTESA-N 1 2 451.390 3.416 20 0 JGADLO C[C@H]1COCCN1c1nnc(-c2cc(Br)cn2C)n1CCCNc1cccc[nH+]1 ZINC001305227448 1068371994 /nfs/dbraw/zinc/37/19/94/1068371994.db2.gz GZIDMYOJAJXZBL-HNNXBMFYSA-N 1 2 460.380 3.168 20 0 JGADLO C[C@@H](N1CCN(c2nnc(Cc3ccccn3)n2CCCNc2cccc[nH+]2)CC1)C(F)(F)F ZINC001303792416 1068376307 /nfs/dbraw/zinc/37/63/07/1068376307.db2.gz GNVLQDZJTXHRCB-GOSISDBHSA-N 1 2 474.535 3.234 20 0 JGADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233880 1068381624 /nfs/dbraw/zinc/38/16/24/1068381624.db2.gz GYXREEZWDHWIRR-TZIWHRDSSA-N 1 2 476.666 3.492 20 0 JGADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CCCC2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001305233880 1068381633 /nfs/dbraw/zinc/38/16/33/1068381633.db2.gz GYXREEZWDHWIRR-TZIWHRDSSA-N 1 2 476.666 3.492 20 0 JGADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCCC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305234642 1068384659 /nfs/dbraw/zinc/38/46/59/1068384659.db2.gz UQIAINAYBFYJSD-RTBURBONSA-N 1 2 475.659 3.257 20 0 JGADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C2CCCC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305234642 1068384672 /nfs/dbraw/zinc/38/46/72/1068384672.db2.gz UQIAINAYBFYJSD-RTBURBONSA-N 1 2 475.659 3.257 20 0 JGADLO C[C@@H]1OCC[C@]1(O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001305246519 1068400032 /nfs/dbraw/zinc/40/00/32/1068400032.db2.gz FLUPQAHBINAFOV-DFBJGRDBSA-N 1 2 492.064 3.261 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001303802976 1068400515 /nfs/dbraw/zinc/40/05/15/1068400515.db2.gz GXRWICHGXSSSRD-HOTGVXAUSA-N 1 2 487.561 3.052 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccccc2F)n1CCc1cn2ccccc2[nH+]1 ZINC001303803792 1068403206 /nfs/dbraw/zinc/40/32/06/1068403206.db2.gz PGYKWTWRXASTRB-SJORKVTESA-N 1 2 485.589 3.115 20 0 JGADLO CCC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)CC[NH+]1CCOCC1 ZINC001305282819 1068484642 /nfs/dbraw/zinc/48/46/42/1068484642.db2.gz JGXJGNWXNQULTE-UHFFFAOYSA-N 1 2 481.645 3.441 20 0 JGADLO CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001305283693 1068485372 /nfs/dbraw/zinc/48/53/72/1068485372.db2.gz STQLNSOEBFHAQX-LJQANCHMSA-N 1 2 458.582 3.135 20 0 JGADLO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001305320894 1068538011 /nfs/dbraw/zinc/53/80/11/1068538011.db2.gz KAVMUSGHWGQYQD-DFBJGRDBSA-N 1 2 489.064 3.140 20 0 JGADLO CC(C)[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCC2)CC1 ZINC001303898323 1068539966 /nfs/dbraw/zinc/53/99/66/1068539966.db2.gz OJCZKZUEPQXVQU-SFHVURJKSA-N 1 2 479.622 3.055 20 0 JGADLO CC[C@H](C)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001305344057 1068582125 /nfs/dbraw/zinc/58/21/25/1068582125.db2.gz CEACDDLNZGLNQD-BGWNEDDSSA-N 1 2 482.673 3.448 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N2CCOC(C)(C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303931385 1068588005 /nfs/dbraw/zinc/58/80/05/1068588005.db2.gz CJEROGJYWYTUFC-SFHVURJKSA-N 1 2 461.582 3.283 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001303932353 1068590838 /nfs/dbraw/zinc/59/08/38/1068590838.db2.gz RWYXEDGEZSRAKM-OALUTQOASA-N 1 2 493.649 3.445 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001303932353 1068590844 /nfs/dbraw/zinc/59/08/44/1068590844.db2.gz RWYXEDGEZSRAKM-OALUTQOASA-N 1 2 493.649 3.445 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001303932355 1068591243 /nfs/dbraw/zinc/59/12/43/1068591243.db2.gz RWYXEDGEZSRAKM-RTBURBONSA-N 1 2 493.649 3.445 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCS(=O)(=O)C(C)(C)C ZINC001303932355 1068591259 /nfs/dbraw/zinc/59/12/59/1068591259.db2.gz RWYXEDGEZSRAKM-RTBURBONSA-N 1 2 493.649 3.445 20 0 JGADLO CC[C@H](C)[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1)OC ZINC001305364846 1068620462 /nfs/dbraw/zinc/62/04/62/1068620462.db2.gz XQDYVTRMVQEJLU-PCCBWWKXSA-N 1 2 494.681 3.180 20 0 JGADLO CC[C@H](C)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305370432 1068625287 /nfs/dbraw/zinc/62/52/87/1068625287.db2.gz XHYMCNAPIMJDGS-OTWHNJEPSA-N 1 2 463.648 3.113 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CC1(C(N)=O)CCCC1 ZINC001305377627 1068631132 /nfs/dbraw/zinc/63/11/32/1068631132.db2.gz RSXKXRQIVNMCDS-MOPGFXCFSA-N 1 2 474.675 3.409 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)CC(=O)Nc2ccc(C)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305378736 1068631701 /nfs/dbraw/zinc/63/17/01/1068631701.db2.gz WSJDFGCAAXVMNY-HXUWFJFHSA-N 1 2 477.613 3.455 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cc(Cl)c(OC)c(OC)c1 ZINC001305400091 1068642748 /nfs/dbraw/zinc/64/27/48/1068642748.db2.gz VRIXEGHLDZDJQZ-MRXNPFEDSA-N 1 2 451.999 3.279 20 0 JGADLO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305414707 1068653329 /nfs/dbraw/zinc/65/33/29/1068653329.db2.gz RHHGONFEEPQQSL-IRFCIJBXSA-N 1 2 499.660 3.421 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001305426529 1068663481 /nfs/dbraw/zinc/66/34/81/1068663481.db2.gz PFAAKSKQPAYVQJ-WMZOPIPTSA-N 1 2 479.551 3.340 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001305441231 1068675846 /nfs/dbraw/zinc/67/58/46/1068675846.db2.gz FLINOKUWPFGPAU-UFYCRDLUSA-N 1 2 464.655 3.206 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001305441231 1068675853 /nfs/dbraw/zinc/67/58/53/1068675853.db2.gz FLINOKUWPFGPAU-UFYCRDLUSA-N 1 2 464.655 3.206 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001305447643 1068681663 /nfs/dbraw/zinc/68/16/63/1068681663.db2.gz BGMISQBZOLKSQY-RDPSFJRHSA-N 1 2 468.646 3.218 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001305456442 1068696460 /nfs/dbraw/zinc/69/64/60/1068696460.db2.gz HBMANMVWZVZVKT-YKSBVNFPSA-N 1 2 468.646 3.278 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001305461466 1068704589 /nfs/dbraw/zinc/70/45/89/1068704589.db2.gz XOQMGUGYUKGEQS-SFHVURJKSA-N 1 2 462.639 3.150 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001305489352 1068727552 /nfs/dbraw/zinc/72/75/52/1068727552.db2.gz MZQFNBXKJUUGIB-FFZOFVMBSA-N 1 2 451.612 3.247 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001305489356 1068728054 /nfs/dbraw/zinc/72/80/54/1068728054.db2.gz MZQFNBXKJUUGIB-VDGAXYAQSA-N 1 2 451.612 3.247 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001305494002 1068731827 /nfs/dbraw/zinc/73/18/27/1068731827.db2.gz XYQWIRSGSIEBPY-QKLQHJQFSA-N 1 2 498.644 3.138 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305502984 1068738084 /nfs/dbraw/zinc/73/80/84/1068738084.db2.gz WPZCYLKQWRDRDW-NHCUHLMSSA-N 1 2 483.661 3.155 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCc1ccccc1F ZINC001305519063 1068769123 /nfs/dbraw/zinc/76/91/23/1068769123.db2.gz PDVBGVXNALGNJO-VQTJNVASSA-N 1 2 456.610 3.306 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C)c(OC)c1 ZINC001305519210 1068769702 /nfs/dbraw/zinc/76/97/02/1068769702.db2.gz QIUIHMVLJPZLIO-TZIWHRDSSA-N 1 2 468.646 3.290 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC[C@@](C)(O)c1ccccc1 ZINC001305519919 1068770791 /nfs/dbraw/zinc/77/07/91/1068770791.db2.gz UQYVFFMGFRCALA-BCQCSXDESA-N 1 2 482.673 3.222 20 0 JGADLO CC[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001305533138 1068792223 /nfs/dbraw/zinc/79/22/23/1068792223.db2.gz MPSCYNUOWADAMR-SFHVURJKSA-N 1 2 477.617 3.358 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001305534274 1068794226 /nfs/dbraw/zinc/79/42/26/1068794226.db2.gz RBPRHQYPXTXXOT-VOIUYBSRSA-N 1 2 453.591 3.334 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305539604 1068808049 /nfs/dbraw/zinc/80/80/49/1068808049.db2.gz FQUCRCPQISEXHM-RTBURBONSA-N 1 2 475.037 3.015 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H](OC)c1ccccc1 ZINC001305542535 1068815044 /nfs/dbraw/zinc/81/50/44/1068815044.db2.gz CZQWCFBQCAJDIB-CAOCKLPOSA-N 1 2 484.689 3.411 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1Cc1cnn(C)c1C ZINC001305542792 1068815809 /nfs/dbraw/zinc/81/58/09/1068815809.db2.gz WYKZIXDNMHYLEM-QGZVFWFLSA-N 1 2 455.582 3.352 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001305570267 1068844921 /nfs/dbraw/zinc/84/49/21/1068844921.db2.gz PHCFKKKVDSGEID-UYAOXDASSA-N 1 2 485.633 3.175 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001305571897 1068845392 /nfs/dbraw/zinc/84/53/92/1068845392.db2.gz ZXKZISOCKMOGHU-VVWQDTPRSA-N 1 2 462.545 3.307 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001305571879 1068845532 /nfs/dbraw/zinc/84/55/32/1068845532.db2.gz ZXKZISOCKMOGHU-LTDCPUDJSA-N 1 2 462.545 3.307 20 0 JGADLO CC[C@@H](C)NC(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001305644624 1068970470 /nfs/dbraw/zinc/97/04/70/1068970470.db2.gz YWMJQNCVZWYWLN-HXUWFJFHSA-N 1 2 491.640 3.494 20 0 JGADLO CC[C@@H](c1nnc(N(C)CCS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)[nH+]c21)c1ccccc1 ZINC001305656345 1068995088 /nfs/dbraw/zinc/99/50/88/1068995088.db2.gz CWXLBFGHQVWXDJ-NHCUHLMSSA-N 1 2 470.643 3.383 20 0 JGADLO CC[C@@H](c1nnc(N2CCC(CCC(N)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC001305661538 1069001845 /nfs/dbraw/zinc/00/18/45/1069001845.db2.gz DOGRZCHOJQXJHU-NZQKXSOJSA-N 1 2 468.646 3.023 20 0 JGADLO CC[C@@H](c1nnc(N2CCC(CCC(N)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC001305661538 1069001856 /nfs/dbraw/zinc/00/18/56/1069001856.db2.gz DOGRZCHOJQXJHU-NZQKXSOJSA-N 1 2 468.646 3.023 20 0 JGADLO CC[C@H](c1nnc(N2CCC(F)(F)CC2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305669180 1069013280 /nfs/dbraw/zinc/01/32/80/1069013280.db2.gz XYCHBVIMAGDMDE-NRFANRHFSA-N 1 2 460.573 3.220 20 0 JGADLO CC[C@@H](c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@](C)(O)CCOC)c1ccccc1 ZINC001305676419 1069029892 /nfs/dbraw/zinc/02/98/92/1069029892.db2.gz SJYQCBWDYBUDGA-ATIYNZHBSA-N 1 2 479.629 3.033 20 0 JGADLO CC[C@@H](c1nnc(N2CCO[C@H](COC(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC001305684827 1069045446 /nfs/dbraw/zinc/04/54/46/1069045446.db2.gz VNZWFQZXQAQAHH-OEMFJLHTSA-N 1 2 471.646 3.171 20 0 JGADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)c2ccc(Br)cc2Br)cc[nH+]1 ZINC001305693112 1069063014 /nfs/dbraw/zinc/06/30/14/1069063014.db2.gz MKUWDHNNVXDRBI-LSDHHAIUSA-N 1 2 470.165 3.309 20 0 JGADLO Cc1cc(C)cc(-n2ccnc2SCC(=O)N[C@H]2CCOC[C@H]2Nc2cc[nH+]c(C)n2)c1 ZINC001305693110 1069063067 /nfs/dbraw/zinc/06/30/67/1069063067.db2.gz MHNDUNXHZXDHLI-VQTJNVASSA-N 1 2 452.584 3.065 20 0 JGADLO CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)SC ZINC001305694829 1069067936 /nfs/dbraw/zinc/06/79/36/1069067936.db2.gz YYIRXDIWRHQHLS-UHFFFAOYSA-N 1 2 485.702 3.315 20 0 JGADLO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001305706081 1069094569 /nfs/dbraw/zinc/09/45/69/1069094569.db2.gz ANOLOLBVTXUBMS-FYYLOGMGSA-N 1 2 489.686 3.014 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCSC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001305723139 1069135681 /nfs/dbraw/zinc/13/56/81/1069135681.db2.gz NDFIJNJNUCHORI-IBGZPJMESA-N 1 2 457.648 3.182 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N(C)CC2CCCCC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001305728077 1069147784 /nfs/dbraw/zinc/14/77/84/1069147784.db2.gz FEPPMQBJCCRDOZ-UHFFFAOYSA-N 1 2 483.661 3.493 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1CCCc1cccc(C)[nH+]1 ZINC001305738962 1069165039 /nfs/dbraw/zinc/16/50/39/1069165039.db2.gz DBJRVJLQFFLLOD-OUDXUNEISA-N 1 2 484.645 3.305 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1CC(C)(C)[NH+]1CCOCC1 ZINC001305740108 1069169851 /nfs/dbraw/zinc/16/98/51/1069169851.db2.gz GVNIRMWQEPCOKD-FPOVZHCZSA-N 1 2 460.667 3.466 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1CCCNc1cccc[nH+]1 ZINC001305760597 1069225561 /nfs/dbraw/zinc/22/55/61/1069225561.db2.gz KGYKSXKBEVWELX-QHCPKHFHSA-N 1 2 457.648 3.427 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(OC)cc3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305760962 1069226718 /nfs/dbraw/zinc/22/67/18/1069226718.db2.gz GVUQOGRQDJMATN-UHFFFAOYSA-N 1 2 477.613 3.277 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1ccc(C)cc1F ZINC001305783603 1069277227 /nfs/dbraw/zinc/27/72/27/1069277227.db2.gz DWPGSOPVPKIJMZ-UHFFFAOYSA-N 1 2 480.592 3.117 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1C[C@]1(O)CCC[C@@H]1C ZINC001305787287 1069293136 /nfs/dbraw/zinc/29/31/36/1069293136.db2.gz JAAJSPABVFYAPX-AFMDSPMNSA-N 1 2 486.636 3.209 20 0 JGADLO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416657 718891056 /nfs/dbraw/zinc/89/10/56/718891056.db2.gz FJHMCVMVJMCSHL-SNVBAGLBSA-N 1 2 484.692 3.491 20 0 JGADLO CCc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)c1 ZINC001164644480 719284891 /nfs/dbraw/zinc/28/48/91/719284891.db2.gz LGAFVZWHSQFDTG-UHFFFAOYSA-N 1 2 474.005 3.244 20 0 JGADLO CCc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)c1 ZINC001164644480 719284894 /nfs/dbraw/zinc/28/48/94/719284894.db2.gz LGAFVZWHSQFDTG-UHFFFAOYSA-N 1 2 474.005 3.244 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)CC2 ZINC001164664088 719347114 /nfs/dbraw/zinc/34/71/14/719347114.db2.gz QQQFYPAVFNGBME-UHFFFAOYSA-N 1 2 489.576 3.350 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)CC2 ZINC001164664088 719347117 /nfs/dbraw/zinc/34/71/17/719347117.db2.gz QQQFYPAVFNGBME-UHFFFAOYSA-N 1 2 489.576 3.350 20 0 JGADLO c1cn(Cc2noc3c2CN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCCC5)CC3)c[nH+]1 ZINC001164678528 719566518 /nfs/dbraw/zinc/56/65/18/719566518.db2.gz ZTVIMRRTXCUVGR-UHFFFAOYSA-N 1 2 491.621 3.198 20 0 JGADLO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)nc4[nH]cnc43)CC2)c2ccccc21 ZINC001164680966 719656663 /nfs/dbraw/zinc/65/66/63/719656663.db2.gz KEFZZWUTUZWBDT-INIZCTEOSA-N 1 2 468.005 3.100 20 0 JGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2ncnc(Cl)c2c1 ZINC001164706628 719850029 /nfs/dbraw/zinc/85/00/29/719850029.db2.gz YAGPZHXVOZVNBE-FOIQADDNSA-N 1 2 454.905 3.061 20 0 JGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1ccc2ncnc(Cl)c2c1 ZINC001164706635 719850076 /nfs/dbraw/zinc/85/00/76/719850076.db2.gz YAGPZHXVOZVNBE-YWZLYKJASA-N 1 2 454.905 3.061 20 0 JGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(N3CCCCC3)cc2)nn1 ZINC001164707664 719875049 /nfs/dbraw/zinc/87/50/49/719875049.db2.gz UZFRFDDHMFSXAF-KCWPFWIISA-N 1 2 479.625 3.367 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(N3CCCCC3)cc2)nn1 ZINC001164707665 719875155 /nfs/dbraw/zinc/87/51/55/719875155.db2.gz UZFRFDDHMFSXAF-WNCULLNHSA-N 1 2 479.625 3.367 20 0 JGADLO Cc1nc2scc(-c3cccs3)c2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164709144 719924692 /nfs/dbraw/zinc/92/46/92/719924692.db2.gz ZKTSFXDCMGHLEK-UHFFFAOYSA-N 1 2 493.662 3.412 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)nc(Cl)c(Cl)c3Cl)C2)C1 ZINC001164717557 720231713 /nfs/dbraw/zinc/23/17/13/720231713.db2.gz BBKYOMUGEQUDEA-QGZVFWFLSA-N 1 2 456.201 3.360 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)nc(Cl)c(Cl)c3Cl)C2)C1 ZINC001164717557 720231719 /nfs/dbraw/zinc/23/17/19/720231719.db2.gz BBKYOMUGEQUDEA-QGZVFWFLSA-N 1 2 456.201 3.360 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C2)C1 ZINC001164720080 720233283 /nfs/dbraw/zinc/23/32/83/720233283.db2.gz RETXGVXBRNDGOU-JOCHJYFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(-c4cc(Cl)ncn4)cc3)C2)C1 ZINC001164720080 720233293 /nfs/dbraw/zinc/23/32/93/720233293.db2.gz RETXGVXBRNDGOU-JOCHJYFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3ccc(-c4ccnc(Cl)c4)cc3)C2)C1 ZINC001164717510 720261164 /nfs/dbraw/zinc/26/11/64/720261164.db2.gz ABLQVIJNNMNSFI-HSZRJFAPSA-N 1 2 494.970 3.492 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)Oc3ccc(-c4ccnc(Cl)c4)cc3)C2)C1 ZINC001164717510 720261170 /nfs/dbraw/zinc/26/11/70/720261170.db2.gz ABLQVIJNNMNSFI-HSZRJFAPSA-N 1 2 494.970 3.492 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc4c(Cl)nccc43)C2)C1 ZINC001164721581 720272234 /nfs/dbraw/zinc/27/22/34/720272234.db2.gz LIZDMIYTGDHMPP-OAQYLSRUSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc4c(Cl)nccc43)C2)C1 ZINC001164721581 720272242 /nfs/dbraw/zinc/27/22/42/720272242.db2.gz LIZDMIYTGDHMPP-OAQYLSRUSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C2)C1 ZINC001164720761 720289418 /nfs/dbraw/zinc/28/94/18/720289418.db2.gz DGNRBQJJQOYZRB-QFIPXVFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C2)C1 ZINC001164720761 720289424 /nfs/dbraw/zinc/28/94/24/720289424.db2.gz DGNRBQJJQOYZRB-QFIPXVFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C2)C1 ZINC001164723893 720289675 /nfs/dbraw/zinc/28/96/75/720289675.db2.gz YPZKPAJGFQSTBM-QFIPXVFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(-c4ccc(Cl)nn4)cc3)C2)C1 ZINC001164723893 720289681 /nfs/dbraw/zinc/28/96/81/720289681.db2.gz YPZKPAJGFQSTBM-QFIPXVFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C2)C1 ZINC001164722744 720295907 /nfs/dbraw/zinc/29/59/07/720295907.db2.gz RBURXOYPLFTUJY-NRFANRHFSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C2)C1 ZINC001164722744 720295912 /nfs/dbraw/zinc/29/59/12/720295912.db2.gz RBURXOYPLFTUJY-NRFANRHFSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C2)C1 ZINC001164721843 720297690 /nfs/dbraw/zinc/29/76/90/720297690.db2.gz MDPIAALRYOZYOZ-QFIPXVFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc(-c4ccc(Cl)nn4)c3)C2)C1 ZINC001164721843 720297698 /nfs/dbraw/zinc/29/76/98/720297698.db2.gz MDPIAALRYOZYOZ-QFIPXVFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C2)C1 ZINC001164722746 720297718 /nfs/dbraw/zinc/29/77/18/720297718.db2.gz RBURXOYPLFTUJY-OAQYLSRUSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C2)C1 ZINC001164722746 720297724 /nfs/dbraw/zinc/29/77/24/720297724.db2.gz RBURXOYPLFTUJY-OAQYLSRUSA-N 1 2 452.933 3.098 20 0 JGADLO CCc1ccc(Oc2nc(Cl)ncc2N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)cc1 ZINC001164723839 720307918 /nfs/dbraw/zinc/30/79/18/720307918.db2.gz PKHGQSIQBIIDSB-XMMPIXPASA-N 1 2 474.005 3.150 20 0 JGADLO CCc1ccc(Oc2nc(Cl)ncc2N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)cc1 ZINC001164723839 720307928 /nfs/dbraw/zinc/30/79/28/720307928.db2.gz PKHGQSIQBIIDSB-XMMPIXPASA-N 1 2 474.005 3.150 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)C2)C1 ZINC001164721899 720309259 /nfs/dbraw/zinc/30/92/59/720309259.db2.gz IJZQIAXJXJQASD-JOCHJYFZSA-N 1 2 497.949 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(-c4ccc(F)cc4)nnc3Cl)C2)C1 ZINC001164721899 720309265 /nfs/dbraw/zinc/30/92/65/720309265.db2.gz IJZQIAXJXJQASD-JOCHJYFZSA-N 1 2 497.949 3.146 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(-c4ccc(C)cc4)nnc3Cl)C2)C1 ZINC001164724630 720309559 /nfs/dbraw/zinc/30/95/59/720309559.db2.gz SIOAGZGLAFUBMS-HSZRJFAPSA-N 1 2 493.986 3.315 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(-c4ccc(C)cc4)nnc3Cl)C2)C1 ZINC001164724630 720309563 /nfs/dbraw/zinc/30/95/63/720309563.db2.gz SIOAGZGLAFUBMS-HSZRJFAPSA-N 1 2 493.986 3.315 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C2)C1 ZINC001164726463 720310416 /nfs/dbraw/zinc/31/04/16/720310416.db2.gz ZOCLSJHJTFADEO-NRFANRHFSA-N 1 2 468.932 3.205 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)C2)C1 ZINC001164726463 720310419 /nfs/dbraw/zinc/31/04/19/720310419.db2.gz ZOCLSJHJTFADEO-NRFANRHFSA-N 1 2 468.932 3.205 20 0 JGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(-c2ccc(Cl)nc2)no1 ZINC001164725514 720317404 /nfs/dbraw/zinc/31/74/04/720317404.db2.gz WLOUFTNYWUDNHN-HNNXBMFYSA-N 1 2 465.892 3.347 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc5c(Cl)cccc5n4)CC3)C2=O)cs1 ZINC001164823261 720367195 /nfs/dbraw/zinc/36/71/95/720367195.db2.gz CYOUWRCGBGLWPM-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc5c(Cl)cccc5n4)CC3)C2=O)cs1 ZINC001164823261 720367201 /nfs/dbraw/zinc/36/72/01/720367201.db2.gz CYOUWRCGBGLWPM-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc5ccc(Cl)cc5n4)CC3)C2=O)cs1 ZINC001164823108 720367508 /nfs/dbraw/zinc/36/75/08/720367508.db2.gz APCLFYACEQPVAA-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc5ccc(Cl)cc5n4)CC3)C2=O)cs1 ZINC001164823108 720367519 /nfs/dbraw/zinc/36/75/19/720367519.db2.gz APCLFYACEQPVAA-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc5ncccc45)CC3)C2=O)cs1 ZINC001164823242 720368372 /nfs/dbraw/zinc/36/83/72/720368372.db2.gz CPQXNJUNXKSUDN-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc5ncccc45)CC3)C2=O)cs1 ZINC001164823242 720368380 /nfs/dbraw/zinc/36/83/80/720368380.db2.gz CPQXNJUNXKSUDN-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO CCOc1ccc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2c1 ZINC001164820502 720371008 /nfs/dbraw/zinc/37/10/08/720371008.db2.gz PHBYBZDLHKOFGT-UHFFFAOYSA-N 1 2 466.611 3.107 20 0 JGADLO CCOc1ccc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2c1 ZINC001164820502 720371013 /nfs/dbraw/zinc/37/10/13/720371013.db2.gz PHBYBZDLHKOFGT-UHFFFAOYSA-N 1 2 466.611 3.107 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nc3ccsc3c(Cl)n1)C2 ZINC001164823415 720439854 /nfs/dbraw/zinc/43/98/54/720439854.db2.gz JKDVUYCKZNEMBM-AWEZNQCLSA-N 1 2 498.987 3.076 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3ccc(F)cc31)C2 ZINC001164826462 720440716 /nfs/dbraw/zinc/44/07/16/720440716.db2.gz XFJZWJIMGQOCOT-MRXNPFEDSA-N 1 2 459.953 3.213 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c(Cl)cccc31)C2 ZINC001164821930 720446547 /nfs/dbraw/zinc/44/65/47/720446547.db2.gz AVBGBCASZPHKOM-OAHLLOKOSA-N 1 2 477.396 3.123 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001164825789 720448120 /nfs/dbraw/zinc/44/81/20/720448120.db2.gz UWSPPOISOIPGAL-MRXNPFEDSA-N 1 2 492.958 3.014 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001164831271 720460208 /nfs/dbraw/zinc/46/02/08/720460208.db2.gz ODHJEFBRBMWQLJ-KRWDZBQOSA-N 1 2 492.958 3.014 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001164831273 720461130 /nfs/dbraw/zinc/46/11/30/720461130.db2.gz ODHJEFBRBMWQLJ-QGZVFWFLSA-N 1 2 492.958 3.014 20 0 JGADLO CC(C)c1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)cc(C(C)(C)C)n1 ZINC001164828846 720474715 /nfs/dbraw/zinc/47/47/15/720474715.db2.gz BCBKDKHOYZPTMH-LJQANCHMSA-N 1 2 456.635 3.084 20 0 JGADLO CC(C)c1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cc(C(C)(C)C)n1 ZINC001164828844 720475588 /nfs/dbraw/zinc/47/55/88/720475588.db2.gz BCBKDKHOYZPTMH-IBGZPJMESA-N 1 2 456.635 3.084 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1c(Cl)ccc3c(Cl)ncnc31)C2 ZINC001164832607 720482872 /nfs/dbraw/zinc/48/28/72/720482872.db2.gz KCLNSGNVLNFKKK-HNNXBMFYSA-N 1 2 477.396 3.123 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3c(F)ccc(F)c13)C2 ZINC001164832779 720482896 /nfs/dbraw/zinc/48/28/96/720482896.db2.gz KTZBPPDLKSBOTO-OAHLLOKOSA-N 1 2 477.943 3.353 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)C2 ZINC001164835149 720484459 /nfs/dbraw/zinc/48/44/59/720484459.db2.gz XJOIKNYAZMNXMR-KRWDZBQOSA-N 1 2 481.975 3.041 20 0 JGADLO COC[C@@]12CCCO[C@H]1CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164851610 720826694 /nfs/dbraw/zinc/82/66/94/720826694.db2.gz XNRCLWLURBKWFH-IGKIAQTJSA-N 1 2 464.610 3.062 20 0 JGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)C2 ZINC001164858686 720895501 /nfs/dbraw/zinc/89/55/01/720895501.db2.gz NGZLDRFFWCRMOV-UHFFFAOYSA-N 1 2 457.872 3.040 20 0 JGADLO COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c(Cl)n1 ZINC001164870122 721218424 /nfs/dbraw/zinc/21/84/24/721218424.db2.gz FNDRKKZXVWDBEC-UHFFFAOYSA-N 1 2 452.889 3.337 20 0 JGADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c1 ZINC001164871824 721219386 /nfs/dbraw/zinc/21/93/86/721219386.db2.gz LXZQDAUODBWKHG-UHFFFAOYSA-N 1 2 452.889 3.337 20 0 JGADLO CCOC(=O)c1cnc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1Cl ZINC001164769262 721272102 /nfs/dbraw/zinc/27/21/02/721272102.db2.gz XFXGPWWTVVTXNY-AWEZNQCLSA-N 1 2 478.887 3.159 20 0 JGADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164769019 721273355 /nfs/dbraw/zinc/27/33/55/721273355.db2.gz NESWGDURUBQMEH-CQSZACIVSA-N 1 2 463.872 3.373 20 0 JGADLO O=C(c1ccccc1)N1CCO[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2C1 ZINC001164883335 721348012 /nfs/dbraw/zinc/34/80/12/721348012.db2.gz LBTGALGLZNXXNV-OZXSUGGESA-N 1 2 469.589 3.012 20 0 JGADLO O=C(c1ccccc1)N1CCO[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2C1 ZINC001164883335 721348015 /nfs/dbraw/zinc/34/80/15/721348015.db2.gz LBTGALGLZNXXNV-OZXSUGGESA-N 1 2 469.589 3.012 20 0 JGADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)cc1 ZINC001164786406 721420763 /nfs/dbraw/zinc/42/07/63/721420763.db2.gz OXFMSZYZLBVZHD-ROUUACIJSA-N 1 2 485.635 3.306 20 0 JGADLO Fc1cccnc1OC[C@]12COC[C@@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164793748 721485473 /nfs/dbraw/zinc/48/54/73/721485473.db2.gz VCWAOQPNFSLXPL-FNZWTVRRSA-N 1 2 461.541 3.101 20 0 JGADLO Fc1cccnc1OC[C@]12COC[C@@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164793748 721485478 /nfs/dbraw/zinc/48/54/78/721485478.db2.gz VCWAOQPNFSLXPL-FNZWTVRRSA-N 1 2 461.541 3.101 20 0 JGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001165007128 721698216 /nfs/dbraw/zinc/69/82/16/721698216.db2.gz AULKKDFVFINIHD-UHFFFAOYSA-N 1 2 454.957 3.117 20 0 JGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)C2 ZINC001165007128 721698220 /nfs/dbraw/zinc/69/82/20/721698220.db2.gz AULKKDFVFINIHD-UHFFFAOYSA-N 1 2 454.957 3.117 20 0 JGADLO CC(C)C(=O)N1CCC[C@@]12CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001165008444 721725908 /nfs/dbraw/zinc/72/59/08/721725908.db2.gz OFFREXXROAKFQY-NDEPHWFRSA-N 1 2 475.637 3.267 20 0 JGADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001165014821 721765903 /nfs/dbraw/zinc/76/59/03/721765903.db2.gz JSXILCLREZKOEN-UHFFFAOYSA-N 1 2 485.926 3.356 20 0 JGADLO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910273 721773359 /nfs/dbraw/zinc/77/33/59/721773359.db2.gz BCMNXAGWTMYQMR-JOCHJYFZSA-N 1 2 475.927 3.331 20 0 JGADLO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910273 721773360 /nfs/dbraw/zinc/77/33/60/721773360.db2.gz BCMNXAGWTMYQMR-JOCHJYFZSA-N 1 2 475.927 3.331 20 0 JGADLO Clc1cc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)ccn1 ZINC001164913323 721774499 /nfs/dbraw/zinc/77/44/99/721774499.db2.gz WPOXRRURAINSNH-XMMPIXPASA-N 1 2 451.958 3.300 20 0 JGADLO Clc1cc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)ccn1 ZINC001164913323 721774501 /nfs/dbraw/zinc/77/45/01/721774501.db2.gz WPOXRRURAINSNH-XMMPIXPASA-N 1 2 451.958 3.300 20 0 JGADLO Fc1cc2nc(Cl)c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2cc1F ZINC001164913037 721778746 /nfs/dbraw/zinc/77/87/46/721778746.db2.gz UFGSPSLYCJBDTE-QFIPXVFZSA-N 1 2 461.900 3.064 20 0 JGADLO Fc1cc2nc(Cl)c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2cc1F ZINC001164913037 721778752 /nfs/dbraw/zinc/77/87/52/721778752.db2.gz UFGSPSLYCJBDTE-QFIPXVFZSA-N 1 2 461.900 3.064 20 0 JGADLO c1cnn(CCCO[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC001165018082 721779719 /nfs/dbraw/zinc/77/97/19/721779719.db2.gz IJQIAMIOVSAURM-CYXNTTPDSA-N 1 2 474.609 3.075 20 0 JGADLO c1cnn(CCCO[C@@H]2CC[C@@H]3[C@@H]2OCCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC001165018082 721779723 /nfs/dbraw/zinc/77/97/23/721779723.db2.gz IJQIAMIOVSAURM-CYXNTTPDSA-N 1 2 474.609 3.075 20 0 JGADLO Clc1ncc(OCc2ccccc2)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916341 721783797 /nfs/dbraw/zinc/78/37/97/721783797.db2.gz QAGSMGZPEBEUPE-VWLOTQADSA-N 1 2 481.984 3.212 20 0 JGADLO Clc1ncc(OCc2ccccc2)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916341 721783799 /nfs/dbraw/zinc/78/37/99/721783799.db2.gz QAGSMGZPEBEUPE-VWLOTQADSA-N 1 2 481.984 3.212 20 0 JGADLO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916784 721787462 /nfs/dbraw/zinc/78/74/62/721787462.db2.gz UFNTWAWLTQWKFT-QFIPXVFZSA-N 1 2 475.927 3.331 20 0 JGADLO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916784 721787467 /nfs/dbraw/zinc/78/74/67/721787467.db2.gz UFNTWAWLTQWKFT-QFIPXVFZSA-N 1 2 475.927 3.331 20 0 JGADLO Clc1cccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914674 721794488 /nfs/dbraw/zinc/79/44/88/721794488.db2.gz PPGZBWCSKPGWCW-DEOSSOPVSA-N 1 2 451.958 3.300 20 0 JGADLO Clc1cccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914674 721794491 /nfs/dbraw/zinc/79/44/91/721794491.db2.gz PPGZBWCSKPGWCW-DEOSSOPVSA-N 1 2 451.958 3.300 20 0 JGADLO Cc1ccc(-c2nc3c(ncnc3N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)o2)cc1 ZINC001164913774 721795520 /nfs/dbraw/zinc/79/55/20/721795520.db2.gz HHWDWMFPCSGPQG-AREMUKBSSA-N 1 2 472.549 3.096 20 0 JGADLO Cc1ccc(-c2nc3c(ncnc3N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)o2)cc1 ZINC001164913774 721795524 /nfs/dbraw/zinc/79/55/24/721795524.db2.gz HHWDWMFPCSGPQG-AREMUKBSSA-N 1 2 472.549 3.096 20 0 JGADLO c1csc(-c2noc(-c3ccnc(N4CCO[C@@]5(C4)COCC[N@@H+](Cc4cccnc4)C5)c3)n2)c1 ZINC001164915339 721797972 /nfs/dbraw/zinc/79/79/72/721797972.db2.gz WKGJZWZHQGORJJ-VWLOTQADSA-N 1 2 490.589 3.363 20 0 JGADLO c1csc(-c2noc(-c3ccnc(N4CCO[C@@]5(C4)COCC[N@H+](Cc4cccnc4)C5)c3)n2)c1 ZINC001164915339 721797974 /nfs/dbraw/zinc/79/79/74/721797974.db2.gz WKGJZWZHQGORJJ-VWLOTQADSA-N 1 2 490.589 3.363 20 0 JGADLO c1ccc(CSc2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914313 721798410 /nfs/dbraw/zinc/79/84/10/721798410.db2.gz LOYSGPMIGKZIRX-VWLOTQADSA-N 1 2 463.607 3.272 20 0 JGADLO c1ccc(CSc2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914313 721798413 /nfs/dbraw/zinc/79/84/13/721798413.db2.gz LOYSGPMIGKZIRX-VWLOTQADSA-N 1 2 463.607 3.272 20 0 JGADLO COc1ccc(Cc2c(C)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2C)cc1 ZINC001164915241 721799870 /nfs/dbraw/zinc/79/98/70/721799870.db2.gz UNEPHBAAHUVBJH-NDEPHWFRSA-N 1 2 489.620 3.196 20 0 JGADLO COc1ccc(Cc2c(C)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2C)cc1 ZINC001164915241 721799873 /nfs/dbraw/zinc/79/98/73/721799873.db2.gz UNEPHBAAHUVBJH-NDEPHWFRSA-N 1 2 489.620 3.196 20 0 JGADLO Clc1cccc(COc2cncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164914350 721800012 /nfs/dbraw/zinc/80/00/12/721800012.db2.gz MCJOXPBZDXBKJX-RUZDIDTESA-N 1 2 481.984 3.212 20 0 JGADLO Clc1cccc(COc2cncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164914350 721800014 /nfs/dbraw/zinc/80/00/14/721800014.db2.gz MCJOXPBZDXBKJX-RUZDIDTESA-N 1 2 481.984 3.212 20 0 JGADLO c1ccc(SCc2nccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164913232 721800605 /nfs/dbraw/zinc/80/06/05/721800605.db2.gz BMGBNRZJJMJBCV-RUZDIDTESA-N 1 2 463.607 3.272 20 0 JGADLO c1ccc(SCc2nccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164913232 721800606 /nfs/dbraw/zinc/80/06/06/721800606.db2.gz BMGBNRZJJMJBCV-RUZDIDTESA-N 1 2 463.607 3.272 20 0 JGADLO FC(F)(N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2)C1(c2ccc(Cl)nc2)CC1 ZINC001164915274 721801621 /nfs/dbraw/zinc/80/16/21/721801621.db2.gz VGBQPZJTJDUMAV-NRFANRHFSA-N 1 2 464.944 3.358 20 0 JGADLO FC(F)(N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2)C1(c2ccc(Cl)nc2)CC1 ZINC001164915274 721801622 /nfs/dbraw/zinc/80/16/22/721801622.db2.gz VGBQPZJTJDUMAV-NRFANRHFSA-N 1 2 464.944 3.358 20 0 JGADLO O=C(c1cccnc1N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164915083 721806611 /nfs/dbraw/zinc/80/66/11/721806611.db2.gz HUWSMQTYKMZPDX-ABYGYWHVSA-N 1 2 499.615 3.251 20 0 JGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c(Cl)nc(Cl)nc32)CC1 ZINC001164917420 721813703 /nfs/dbraw/zinc/81/37/03/721813703.db2.gz MLKSIXOANVCQQP-UHFFFAOYSA-N 1 2 453.765 3.326 20 0 JGADLO COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164917886 721817854 /nfs/dbraw/zinc/81/78/54/721817854.db2.gz KQGFNBHWKUHPLI-UHFFFAOYSA-N 1 2 470.618 3.304 20 0 JGADLO CCOC(=O)c1sc2nc(C)nc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)c2c1C ZINC001164918296 721819019 /nfs/dbraw/zinc/81/90/19/721819019.db2.gz MFEDYKZUXGHHDW-UHFFFAOYSA-N 1 2 454.600 3.431 20 0 JGADLO COc1ccc2[nH+]c(N3CCO[C@]4(C3)COCCN(Cc3csc(C)n3)C4)cc(C)c2c1 ZINC001164924730 721828007 /nfs/dbraw/zinc/82/80/07/721828007.db2.gz OENJOTPEYUVZMJ-XMMPIXPASA-N 1 2 454.596 3.425 20 0 JGADLO CC(C)(C)C(=O)Nc1ccnc(N2CCN(CCOc3ccccc3)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165044013 721958518 /nfs/dbraw/zinc/95/85/18/721958518.db2.gz CAIYWZFKRVRATH-QFIPXVFZSA-N 1 2 495.668 3.081 20 0 JGADLO CC(C)(C)C(=O)Nc1ccnc(N2CCN(CCOc3ccccc3)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165044013 721958522 /nfs/dbraw/zinc/95/85/22/721958522.db2.gz CAIYWZFKRVRATH-QFIPXVFZSA-N 1 2 495.668 3.081 20 0 JGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164943807 721972185 /nfs/dbraw/zinc/97/21/85/721972185.db2.gz FTWHCQCBEMGEBM-UHFFFAOYSA-N 1 2 455.653 3.316 20 0 JGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccnc1C1SCCCS1)CC2 ZINC001164943807 721972187 /nfs/dbraw/zinc/97/21/87/721972187.db2.gz FTWHCQCBEMGEBM-UHFFFAOYSA-N 1 2 455.653 3.316 20 0 JGADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1C ZINC001164944368 721973992 /nfs/dbraw/zinc/97/39/92/721973992.db2.gz HVMPDWBNRHBOEY-UHFFFAOYSA-N 1 2 456.974 3.191 20 0 JGADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1C ZINC001164944368 721973993 /nfs/dbraw/zinc/97/39/93/721973993.db2.gz HVMPDWBNRHBOEY-UHFFFAOYSA-N 1 2 456.974 3.191 20 0 JGADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4[C@@H](C3)[C@@H]4NC(=O)C(C)C)c2c1C ZINC001164958847 722039592 /nfs/dbraw/zinc/03/95/92/722039592.db2.gz DUFIQVIBCRJCLX-YRWFTTLQSA-N 1 2 485.654 3.369 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973122 722148494 /nfs/dbraw/zinc/14/84/94/722148494.db2.gz AZAVDWAENJVERA-OFNKIYASSA-N 1 2 497.596 3.144 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973122 722148496 /nfs/dbraw/zinc/14/84/96/722148496.db2.gz AZAVDWAENJVERA-OFNKIYASSA-N 1 2 497.596 3.144 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2C[C@H]3C[C@]2(C)CCC3)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305801391 1069323953 /nfs/dbraw/zinc/32/39/53/1069323953.db2.gz BJSAXDPPLRLWOC-QVNIBDNGSA-N 1 2 460.667 3.322 20 0 JGADLO CC[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001305805453 1069331883 /nfs/dbraw/zinc/33/18/83/1069331883.db2.gz BSNOKIDWYMTCGS-HKUYNNGSSA-N 1 2 469.565 3.407 20 0 JGADLO CCC(O)(CC)Cn1c(-c2ccccc2C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001305851044 1069404137 /nfs/dbraw/zinc/40/41/37/1069404137.db2.gz ADPYJFRKTYTWAE-HSZRJFAPSA-N 1 2 484.689 3.036 20 0 JGADLO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001305851133 1069404810 /nfs/dbraw/zinc/40/48/10/1069404810.db2.gz YBQNNFUMMUHYBM-ZCNNSNEGSA-N 1 2 485.633 3.195 20 0 JGADLO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc[nH]2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001298208000 1064124754 /nfs/dbraw/zinc/12/47/54/1064124754.db2.gz CPIGBQGSEBMCIK-GOSISDBHSA-N 1 2 459.545 3.205 20 0 JGADLO CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(Cl)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001298208042 1064125299 /nfs/dbraw/zinc/12/52/99/1064125299.db2.gz GDWKFGOGPMZGHB-UHFFFAOYSA-N 1 2 498.031 3.229 20 0 JGADLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001298562974 1064330175 /nfs/dbraw/zinc/33/01/75/1064330175.db2.gz AXNXIILTERXEBT-QFIPXVFZSA-N 1 2 458.002 3.463 20 0 JGADLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC001298562974 1064330186 /nfs/dbraw/zinc/33/01/86/1064330186.db2.gz AXNXIILTERXEBT-QFIPXVFZSA-N 1 2 458.002 3.463 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC=CO1 ZINC001298733727 1064548799 /nfs/dbraw/zinc/54/87/99/1064548799.db2.gz RMJXOVRAQQLQSO-LJQANCHMSA-N 1 2 462.392 3.169 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(Br)cc2)n1CCc1ccncc1 ZINC001298733810 1064548827 /nfs/dbraw/zinc/54/88/27/1064548827.db2.gz UTUHIFXMGGRSFO-UHFFFAOYSA-N 1 2 471.403 3.114 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(F)cc2Br)n1CCc1ccccn1 ZINC001298736824 1064551215 /nfs/dbraw/zinc/55/12/15/1064551215.db2.gz KHJMNEVFRPFREK-UHFFFAOYSA-N 1 2 489.393 3.253 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC1(C)C ZINC001298738099 1064552804 /nfs/dbraw/zinc/55/28/04/1064552804.db2.gz GHLNRWSZOOHSBO-WOJBJXKFSA-N 1 2 476.666 3.207 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1CC1(C)C ZINC001298738095 1064552835 /nfs/dbraw/zinc/55/28/35/1064552835.db2.gz GHLNRWSZOOHSBO-UXHICEINSA-N 1 2 476.666 3.207 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2cccnc2)n1CCc1ccc(F)cc1Cl ZINC001298738847 1064553857 /nfs/dbraw/zinc/55/38/57/1064553857.db2.gz OQULGTYTCKFDOE-UHFFFAOYSA-N 1 2 458.969 3.068 20 0 JGADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCCOC2)n1CCc1cc(Br)ccc1F ZINC001298738934 1064554373 /nfs/dbraw/zinc/55/43/73/1064554373.db2.gz RYEZXXASUZILSW-SFHVURJKSA-N 1 2 496.425 3.085 20 0 JGADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001298822819 1064623939 /nfs/dbraw/zinc/62/39/39/1064623939.db2.gz QHDFUTRMOLIEBQ-OAQYLSRUSA-N 1 2 459.635 3.128 20 0 JGADLO COC(=O)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)c1cccc2ccccc21 ZINC001298894150 1064702198 /nfs/dbraw/zinc/70/21/98/1064702198.db2.gz AOGGYDKLLAUDSP-YADHBBJMSA-N 1 2 450.539 3.057 20 0 JGADLO COC(=O)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)c1cccc2ccccc21 ZINC001298894150 1064702210 /nfs/dbraw/zinc/70/22/10/1064702210.db2.gz AOGGYDKLLAUDSP-YADHBBJMSA-N 1 2 450.539 3.057 20 0 JGADLO CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)cc21 ZINC001298907960 1064710952 /nfs/dbraw/zinc/71/09/52/1064710952.db2.gz KKPJGCMSNTUKFB-IBGZPJMESA-N 1 2 450.543 3.418 20 0 JGADLO CNC(=O)[C@H](C)CN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001298991158 1064773449 /nfs/dbraw/zinc/77/34/49/1064773449.db2.gz OJVWPYGSASWOCA-GOSISDBHSA-N 1 2 496.685 3.276 20 0 JGADLO CNC(=O)[C@@H](C)CN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001299000713 1064779761 /nfs/dbraw/zinc/77/97/61/1064779761.db2.gz HTCBCUZYLKJUPO-SFHVURJKSA-N 1 2 467.643 3.206 20 0 JGADLO CNC(=O)c1ccc(CN(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cc1 ZINC001299041094 1064830868 /nfs/dbraw/zinc/83/08/68/1064830868.db2.gz DCYZTUCIRFKLJG-FQEVSTJZSA-N 1 2 491.640 3.141 20 0 JGADLO CNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001299102629 1064912886 /nfs/dbraw/zinc/91/28/86/1064912886.db2.gz LPKSLPFQDNFWGC-KRWDZBQOSA-N 1 2 481.576 3.029 20 0 JGADLO CNC(=O)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNc2cccc[nH+]2)CC1 ZINC001299109989 1064917897 /nfs/dbraw/zinc/91/78/97/1064917897.db2.gz HOBKXOQUVNOWGX-UHFFFAOYSA-N 1 2 485.539 3.406 20 0 JGADLO CO[C@]1(C)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001299749574 1064949091 /nfs/dbraw/zinc/94/90/91/1064949091.db2.gz KYJCFVPXGAVXMP-HYBUGGRVSA-N 1 2 487.626 3.250 20 0 JGADLO CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001299774042 1064974357 /nfs/dbraw/zinc/97/43/57/1064974357.db2.gz UQHKEBMDJCPNDI-OFVILXPXSA-N 1 2 457.619 3.282 20 0 JGADLO COC1(C)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCc2cccc(C)[nH+]2)C1 ZINC001299784707 1064981685 /nfs/dbraw/zinc/98/16/85/1064981685.db2.gz MFZPKNOJVAJRIH-HXUWFJFHSA-N 1 2 486.617 3.148 20 0 JGADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001299898214 1065132476 /nfs/dbraw/zinc/13/24/76/1065132476.db2.gz ALFBUTPPVWPHFW-FCHUYYIVSA-N 1 2 452.599 3.216 20 0 JGADLO COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001299950459 1065225963 /nfs/dbraw/zinc/22/59/63/1065225963.db2.gz AAFGZFCEIPSUIQ-QFIPXVFZSA-N 1 2 466.586 3.333 20 0 JGADLO COc1ccc([C@H](C)N(C)c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001299986809 1065288404 /nfs/dbraw/zinc/28/84/04/1065288404.db2.gz KSFJXTXPUYDGRK-PMACEKPBSA-N 1 2 450.587 3.191 20 0 JGADLO COc1ccc([C@H](C)N(C)c2nnc(Cc3cccnc3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001299986809 1065288416 /nfs/dbraw/zinc/28/84/16/1065288416.db2.gz KSFJXTXPUYDGRK-PMACEKPBSA-N 1 2 450.587 3.191 20 0 JGADLO COc1ccc(C)cc1CCn1c(CC(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001299990610 1065294319 /nfs/dbraw/zinc/29/43/19/1065294319.db2.gz NDRQPUBGQXNJOB-VWLOTQADSA-N 1 2 498.716 3.268 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCSC2(C)C)cc1C ZINC001492240891 1065339651 /nfs/dbraw/zinc/33/96/51/1065339651.db2.gz RUWNAMPDPGXRIF-HXUWFJFHSA-N 1 2 486.686 3.447 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001492400993 1065469881 /nfs/dbraw/zinc/46/98/81/1065469881.db2.gz HDIFSFIRFMYTIK-HXUWFJFHSA-N 1 2 458.676 3.133 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001492400993 1065469886 /nfs/dbraw/zinc/46/98/86/1065469886.db2.gz HDIFSFIRFMYTIK-HXUWFJFHSA-N 1 2 458.676 3.133 20 0 JGADLO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)CC1(C)C ZINC001300845557 1065587333 /nfs/dbraw/zinc/58/73/33/1065587333.db2.gz UVRMGKGWSJMWDB-IFMALSPDSA-N 1 2 457.619 3.056 20 0 JGADLO CO[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC[C@H]2C)CC1(C)C ZINC001300845557 1065587346 /nfs/dbraw/zinc/58/73/46/1065587346.db2.gz UVRMGKGWSJMWDB-IFMALSPDSA-N 1 2 457.619 3.056 20 0 JGADLO COCC(C)(C)CCCn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001300915063 1065715519 /nfs/dbraw/zinc/71/55/19/1065715519.db2.gz QUMCKOVSPADTRE-NRFANRHFSA-N 1 2 486.661 3.432 20 0 JGADLO COC[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001300962897 1065771513 /nfs/dbraw/zinc/77/15/13/1065771513.db2.gz XJHXGFNJZRJGDE-VQTJNVASSA-N 1 2 489.064 3.404 20 0 JGADLO COC[C@H](F)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001301079698 1065929697 /nfs/dbraw/zinc/92/96/97/1065929697.db2.gz XAGRFGONZGARSS-HXUWFJFHSA-N 1 2 472.565 3.077 20 0 JGADLO COCC1(Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)CC[NH+]2CCOCC2)CCC1 ZINC001301123864 1065964782 /nfs/dbraw/zinc/96/47/82/1065964782.db2.gz IYXXSAQYPNROQK-UHFFFAOYSA-N 1 2 464.010 3.192 20 0 JGADLO COCc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC001301165630 1066001992 /nfs/dbraw/zinc/00/19/92/1066001992.db2.gz ZJOMIARTCVKOCS-NRFANRHFSA-N 1 2 482.673 3.194 20 0 JGADLO COCC1=CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001301181179 1066011855 /nfs/dbraw/zinc/01/18/55/1066011855.db2.gz OCXIWWPVLLTBKD-UHFFFAOYSA-N 1 2 467.618 3.023 20 0 JGADLO COCC1=CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001301184671 1066014166 /nfs/dbraw/zinc/01/41/66/1066014166.db2.gz SMFITHHPTAZSJF-IBGZPJMESA-N 1 2 473.593 3.451 20 0 JGADLO COCC1=CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001301184672 1066014296 /nfs/dbraw/zinc/01/42/96/1066014296.db2.gz SMFITHHPTAZSJF-LJQANCHMSA-N 1 2 473.593 3.451 20 0 JGADLO COC[C@@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001301256045 1066070971 /nfs/dbraw/zinc/07/09/71/1066070971.db2.gz JJJGUTAHLVMLAO-GOSISDBHSA-N 1 2 484.988 3.176 20 0 JGADLO COC[C@@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301296951 1066102198 /nfs/dbraw/zinc/10/21/98/1066102198.db2.gz MDKMEHZIIVGLSX-GUDVDZBRSA-N 1 2 464.010 3.265 20 0 JGADLO COC[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301318955 1066117087 /nfs/dbraw/zinc/11/70/87/1066117087.db2.gz JJCBWYJPYXWWGO-FQEVSTJZSA-N 1 2 499.660 3.375 20 0 JGADLO COC[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001301343462 1066134056 /nfs/dbraw/zinc/13/40/56/1066134056.db2.gz PHXLACXPIOJRCS-LJQANCHMSA-N 1 2 475.659 3.163 20 0 JGADLO COC[C@@H]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001301343462 1066134061 /nfs/dbraw/zinc/13/40/61/1066134061.db2.gz PHXLACXPIOJRCS-LJQANCHMSA-N 1 2 475.659 3.163 20 0 JGADLO COC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001301360928 1066154313 /nfs/dbraw/zinc/15/43/13/1066154313.db2.gz NCEBRCKGGCBLIM-IBGZPJMESA-N 1 2 487.402 3.456 20 0 JGADLO COC[C@H]1CN(c2nnc(-c3ccccc3Br)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001301374697 1066168219 /nfs/dbraw/zinc/16/82/19/1066168219.db2.gz LMZJXFMQARWTGK-QGZVFWFLSA-N 1 2 487.402 3.069 20 0 JGADLO COC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001301400565 1066181251 /nfs/dbraw/zinc/18/12/51/1066181251.db2.gz XVKSRABFZCDHBQ-YLJYHZDGSA-N 1 2 477.581 3.363 20 0 JGADLO COCCC(C)(C)Cn1c(-c2ccccc2C)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001301422036 1066215355 /nfs/dbraw/zinc/21/53/55/1066215355.db2.gz WPABKZWEQLIMSG-UHFFFAOYSA-N 1 2 482.673 3.451 20 0 JGADLO COCCO[C@H](C)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001301970185 1066276966 /nfs/dbraw/zinc/27/69/66/1066276966.db2.gz QNBMZPZQJNJWTP-TUNNFDKTSA-N 1 2 472.634 3.297 20 0 JGADLO COCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC001301460358 1066280947 /nfs/dbraw/zinc/28/09/47/1066280947.db2.gz CYFBWTKEYYAATB-UHFFFAOYSA-N 1 2 469.634 3.125 20 0 JGADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001301991358 1066311368 /nfs/dbraw/zinc/31/13/68/1066311368.db2.gz NPBMSMJXLKYSHC-DBXWQHBBSA-N 1 2 472.615 3.012 20 0 JGADLO COCC[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301505144 1066332159 /nfs/dbraw/zinc/33/21/59/1066332159.db2.gz JLWZTDHHXNPFAO-GOSISDBHSA-N 1 2 466.586 3.334 20 0 JGADLO COc1ccc(C(=O)N[C@H](C(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)c2ccccc2)cc1 ZINC001302002080 1066336850 /nfs/dbraw/zinc/33/68/50/1066336850.db2.gz BZBORDOARUAYQQ-DQEYMECFSA-N 1 2 459.546 3.348 20 0 JGADLO COc1ccc(C(=O)N[C@H](C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)c2ccccc2)cc1 ZINC001302002169 1066336955 /nfs/dbraw/zinc/33/69/55/1066336955.db2.gz BZBORDOARUAYQQ-RPBOFIJWSA-N 1 2 459.546 3.348 20 0 JGADLO COc1cccc([C@H](O)C2CCN(C(=O)C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)CC2)c1 ZINC001302013501 1066358891 /nfs/dbraw/zinc/35/88/91/1066358891.db2.gz GGEIVSQYAJHWCJ-AREMUKBSSA-N 1 2 454.567 3.043 20 0 JGADLO COc1cccc([C@H](O)C2CCN(C(=O)C[N@H+]3CCc4cc(OC)c(OC)cc4C3)CC2)c1 ZINC001302013501 1066358911 /nfs/dbraw/zinc/35/89/11/1066358911.db2.gz GGEIVSQYAJHWCJ-AREMUKBSSA-N 1 2 454.567 3.043 20 0 JGADLO COCCCCCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001301537021 1066365049 /nfs/dbraw/zinc/36/50/49/1066365049.db2.gz PINRJXKKCFMAHR-UHFFFAOYSA-N 1 2 475.037 3.160 20 0 JGADLO C[C@@H](C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001302021863 1066375575 /nfs/dbraw/zinc/37/55/75/1066375575.db2.gz NEXSLHKDTIXWEN-KNXBSLHKSA-N 1 2 476.390 3.433 20 0 JGADLO CC(C)(C)c1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CCCCCO)cc1 ZINC001302029699 1066393651 /nfs/dbraw/zinc/39/36/51/1066393651.db2.gz KVYWPEVFPWACCH-UHFFFAOYSA-N 1 2 482.673 3.150 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCC(OC(C)C)CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001302030907 1066396869 /nfs/dbraw/zinc/39/68/69/1066396869.db2.gz ZABUBGUQCZCYDZ-WOJBJXKFSA-N 1 2 460.623 3.478 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1ccc(Cl)nc1 ZINC001302040613 1066414271 /nfs/dbraw/zinc/41/42/71/1066414271.db2.gz CLTNGNZAZMTNAR-MRXNPFEDSA-N 1 2 471.993 3.123 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@H]1CCCSC1 ZINC001302044401 1066425316 /nfs/dbraw/zinc/42/53/16/1066425316.db2.gz VTICLERXAFUHMD-MSOLQXFVSA-N 1 2 460.648 3.169 20 0 JGADLO CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)c1ccccc1C(F)(F)F ZINC001302058277 1066456237 /nfs/dbraw/zinc/45/62/37/1066456237.db2.gz BJTUEQMOFMDVCT-IRXDYDNUSA-N 1 2 453.465 3.167 20 0 JGADLO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)c1ccccc1C(F)(F)F ZINC001302058276 1066456274 /nfs/dbraw/zinc/45/62/74/1066456274.db2.gz BJTUEQMOFMDVCT-IAGOWNOFSA-N 1 2 453.465 3.167 20 0 JGADLO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001302079148 1066493361 /nfs/dbraw/zinc/49/33/61/1066493361.db2.gz IACVRAPYGZXQQE-UHFFFAOYSA-N 1 2 463.623 3.004 20 0 JGADLO CC(C)(C)c1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001302079148 1066493367 /nfs/dbraw/zinc/49/33/67/1066493367.db2.gz IACVRAPYGZXQQE-UHFFFAOYSA-N 1 2 463.623 3.004 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302083712 1066506000 /nfs/dbraw/zinc/50/60/00/1066506000.db2.gz IVFSISJUOGLJTH-WOJBJXKFSA-N 1 2 497.619 3.366 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@H](C)c1ccc(F)cc1 ZINC001302085685 1066509828 /nfs/dbraw/zinc/50/98/28/1066509828.db2.gz ULESLXTZMLADDL-RBUKOAKNSA-N 1 2 483.592 3.370 20 0 JGADLO COCCCn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001301646689 1066510393 /nfs/dbraw/zinc/51/03/93/1066510393.db2.gz ZCMQAXMXEUTDHT-UHFFFAOYSA-N 1 2 474.606 3.140 20 0 JGADLO COCCO[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1Cc1cscc1C ZINC001302088597 1066514506 /nfs/dbraw/zinc/51/45/06/1066514506.db2.gz FQUMJDYHTAYBOL-SFHVURJKSA-N 1 2 460.604 3.039 20 0 JGADLO COCCO[C@H](C)c1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1CC(F)(F)F ZINC001302089171 1066515610 /nfs/dbraw/zinc/51/56/10/1066515610.db2.gz LDIYEWOEUOSJOW-OAHLLOKOSA-N 1 2 475.487 3.034 20 0 JGADLO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301660964 1066531508 /nfs/dbraw/zinc/53/15/08/1066531508.db2.gz LTQOOIRPKYUNGU-HSZRJFAPSA-N 1 2 491.640 3.288 20 0 JGADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CC=CCC2)CC1 ZINC001301662674 1066534639 /nfs/dbraw/zinc/53/46/39/1066534639.db2.gz YPEAVKGIFQEOPY-GOTSBHOMSA-N 1 2 480.657 3.273 20 0 JGADLO COCCS(=O)(=O)c1ccc(C(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)cc1 ZINC001302116281 1066556195 /nfs/dbraw/zinc/55/61/95/1066556195.db2.gz WGUUDQBHVKAVRQ-IBGZPJMESA-N 1 2 458.502 3.158 20 0 JGADLO COCCOC1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001302166206 1066629869 /nfs/dbraw/zinc/62/98/69/1066629869.db2.gz JOUPZEPWSPJISK-UHFFFAOYSA-N 1 2 466.586 3.095 20 0 JGADLO COCCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)[NH+]1CCOCC1)[C@@H]1CC[C@H](C)C1 ZINC001301757170 1066689598 /nfs/dbraw/zinc/68/95/98/1066689598.db2.gz KRIKHHFOIVTMPP-SXWKCWPCSA-N 1 2 459.610 3.370 20 0 JGADLO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC001301757679 1066691793 /nfs/dbraw/zinc/69/17/93/1066691793.db2.gz BSHQILSALLVNNV-FCHUYYIVSA-N 1 2 498.672 3.067 20 0 JGADLO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CC[N@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC001301757679 1066691798 /nfs/dbraw/zinc/69/17/98/1066691798.db2.gz BSHQILSALLVNNV-FCHUYYIVSA-N 1 2 498.672 3.067 20 0 JGADLO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCNc2cccc[nH+]2)[C@@H](C)C1 ZINC001301757676 1066691806 /nfs/dbraw/zinc/69/18/06/1066691806.db2.gz BNMZUZFNTITUFP-NRFANRHFSA-N 1 2 477.613 3.428 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001301763933 1066704262 /nfs/dbraw/zinc/70/42/62/1066704262.db2.gz KOJNTJLMICDEBP-LJQANCHMSA-N 1 2 450.587 3.251 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(C3CCCC3)nnc2N(C)[C@H](C)CCc2ccc(O)cc2)CC1 ZINC001301767375 1066709259 /nfs/dbraw/zinc/70/92/59/1066709259.db2.gz RRMLBVKYSRNDLN-HXUWFJFHSA-N 1 2 468.646 3.263 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(C3CCC3)nnc2N(C)Cc2ccccc2Br)CC1 ZINC001301767395 1066709867 /nfs/dbraw/zinc/70/98/67/1066709867.db2.gz SGHJHLQCPYJVSS-UHFFFAOYSA-N 1 2 475.435 3.109 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCC[C@@H]2Cc2ccccc2)CC1 ZINC001301769606 1066712976 /nfs/dbraw/zinc/71/29/76/1066712976.db2.gz CQHPIEODRRLCEJ-HSZRJFAPSA-N 1 2 452.647 3.242 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC3CCCC3)nnc2N(C)CCOc2cccc(Cl)c2)CC1 ZINC001301770986 1066714089 /nfs/dbraw/zinc/71/40/89/1066714089.db2.gz QZUSDTQAWPBMBQ-UHFFFAOYSA-N 1 2 489.064 3.344 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2C[C@@H](c3ccccc3)C[C@@H]2C)CC1 ZINC001301771368 1066714767 /nfs/dbraw/zinc/71/47/67/1066714767.db2.gz UDGQGMAXRALJLJ-REWPJTCUSA-N 1 2 452.647 3.413 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(N3CCO[C@H](c4ccc(F)cc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001301774166 1066719351 /nfs/dbraw/zinc/71/93/51/1066719351.db2.gz BFDHFROGLCOCLK-NRFANRHFSA-N 1 2 493.027 3.110 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CSc3ccc(C)cc3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001301774262 1066719461 /nfs/dbraw/zinc/71/94/61/1066719461.db2.gz CBEHJJXLWJLFBZ-UHFFFAOYSA-N 1 2 488.727 3.375 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)[C@H](C)c2ccco2)CC1 ZINC001301774900 1066720469 /nfs/dbraw/zinc/72/04/69/1066720469.db2.gz JIWCQEPNPUVMQM-SYYKKAFVSA-N 1 2 472.634 3.151 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)cc3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001301775049 1066721256 /nfs/dbraw/zinc/72/12/56/1066721256.db2.gz MDPYHMUTLUNKAE-UHFFFAOYSA-N 1 2 468.646 3.202 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001301776033 1066721809 /nfs/dbraw/zinc/72/18/09/1066721809.db2.gz VRZSCJJXWBFVHM-XMMPIXPASA-N 1 2 452.647 3.100 20 0 JGADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001301775704 1066721899 /nfs/dbraw/zinc/72/18/99/1066721899.db2.gz SDKIZIYOJZNWRG-IRLDBZIGSA-N 1 2 468.646 3.120 20 0 JGADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC001301782987 1066732028 /nfs/dbraw/zinc/73/20/28/1066732028.db2.gz TZSVFFBDCGMVAU-QGZVFWFLSA-N 1 2 453.340 3.482 20 0 JGADLO COCCN(Cc1ccco1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001301791718 1066742431 /nfs/dbraw/zinc/74/24/31/1066742431.db2.gz WUBWAYMDSDMNAI-KSEOMHKRSA-N 1 2 475.634 3.163 20 0 JGADLO CC(=O)NC1CCC(N(C)c2nnc(CC(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC001301808855 1066763617 /nfs/dbraw/zinc/76/36/17/1066763617.db2.gz RRSZTKHXLMJQGQ-DDJHWDJXSA-N 1 2 482.673 3.434 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cc(Cl)ccc2OC)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302248258 1066780438 /nfs/dbraw/zinc/78/04/38/1066780438.db2.gz KOWVUUXJRYVJFA-FGSXEWAUSA-N 1 2 494.036 3.021 20 0 JGADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(F)c(F)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001302249742 1066784520 /nfs/dbraw/zinc/78/45/20/1066784520.db2.gz HDVIDYWEILKGIF-RXVVDRJESA-N 1 2 479.572 3.028 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001301858784 1066841741 /nfs/dbraw/zinc/84/17/41/1066841741.db2.gz RFULHKRGDYHQEY-NRFANRHFSA-N 1 2 453.635 3.362 20 0 JGADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001301873030 1066870530 /nfs/dbraw/zinc/87/05/30/1066870530.db2.gz RJNAKYJAOMXCNI-XKCSPQBFSA-N 1 2 483.661 3.059 20 0 JGADLO COCC[NH+]1CCN(c2nnc(-c3cc4ccccc4o3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001301884391 1066892790 /nfs/dbraw/zinc/89/27/90/1066892790.db2.gz BDJVASUDNLGJOO-JGCGQSQUSA-N 1 2 459.616 3.007 20 0 JGADLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001302307462 1066898296 /nfs/dbraw/zinc/89/82/96/1066898296.db2.gz ZKPHPVQDWRZCEM-HDICACEKSA-N 1 2 453.486 3.425 20 0 JGADLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001302307462 1066898312 /nfs/dbraw/zinc/89/83/12/1066898312.db2.gz ZKPHPVQDWRZCEM-HDICACEKSA-N 1 2 453.486 3.425 20 0 JGADLO CC(C)(C)OC(=O)N1CCc2sc(C(=O)N3CC[NH+](CCc4ccncc4)CC3)cc2C1 ZINC001301906240 1066930865 /nfs/dbraw/zinc/93/08/65/1066930865.db2.gz SHAZKSRNUVXHBJ-UHFFFAOYSA-N 1 2 456.612 3.437 20 0 JGADLO CC(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001301915514 1066945448 /nfs/dbraw/zinc/94/54/48/1066945448.db2.gz AJRLYQCUAZMISW-UHFFFAOYSA-N 1 2 474.034 3.212 20 0 JGADLO CC(C)C(=O)N1CCCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001302398086 1066977519 /nfs/dbraw/zinc/97/75/19/1066977519.db2.gz MPEXTYBWLDYLMT-UHFFFAOYSA-N 1 2 497.594 3.351 20 0 JGADLO CC(C)C(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001302400678 1066980352 /nfs/dbraw/zinc/98/03/52/1066980352.db2.gz CNCMIKYYTHLNOB-LJQANCHMSA-N 1 2 495.603 3.371 20 0 JGADLO CC(C)C(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001302405369 1066986907 /nfs/dbraw/zinc/98/69/07/1066986907.db2.gz HMZPDXNBPIRBTC-OAQYLSRUSA-N 1 2 485.583 3.169 20 0 JGADLO COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccnc3)n2CCCc2cccc(C)[nH+]2)C1 ZINC001301941299 1066988865 /nfs/dbraw/zinc/98/88/65/1066988865.db2.gz HVCPPYNJWOGLBK-UNMCSNQZSA-N 1 2 477.613 3.044 20 0 JGADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc(C)o2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001301943787 1066994600 /nfs/dbraw/zinc/99/46/00/1066994600.db2.gz IEPGUKDORPBIRR-KRWDZBQOSA-N 1 2 486.642 3.080 20 0 JGADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2ccc(C)o2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001301943787 1066994610 /nfs/dbraw/zinc/99/46/10/1066994610.db2.gz IEPGUKDORPBIRR-KRWDZBQOSA-N 1 2 486.642 3.080 20 0 JGADLO CC(C)C(=O)NCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001302462726 1067067371 /nfs/dbraw/zinc/06/73/71/1067067371.db2.gz OIELRZXGUKOMKA-UHFFFAOYSA-N 1 2 498.429 3.201 20 0 JGADLO CC(C)C(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001302463026 1067068083 /nfs/dbraw/zinc/06/80/83/1067068083.db2.gz WUTVGWAPBPGAAB-UHFFFAOYSA-N 1 2 468.005 3.394 20 0 JGADLO Cc1cccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CC2(CS(C)(=O)=O)CC2)c1C ZINC001304024726 1067070345 /nfs/dbraw/zinc/07/03/45/1067070345.db2.gz CXWWQVPXRAORJY-NRFANRHFSA-N 1 2 489.686 3.390 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCS(C)(=O)=O)c1C ZINC001304025129 1067070884 /nfs/dbraw/zinc/07/08/84/1067070884.db2.gz FXUPMTWIGPLANB-HXUWFJFHSA-N 1 2 463.648 3.000 20 0 JGADLO Cc1cccc(O[C@H](C)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H](C)[NH+]2CCOCC2)c1C ZINC001304027099 1067074548 /nfs/dbraw/zinc/07/45/48/1067074548.db2.gz XJJSDBMGEHYAKU-FYYLOGMGSA-N 1 2 498.672 3.060 20 0 JGADLO CC(C)[C@](C)(O)Cn1c(-c2cccn2C)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001302483699 1067082988 /nfs/dbraw/zinc/08/29/88/1067082988.db2.gz GBJPEQUAUHKKTP-HYBUGGRVSA-N 1 2 472.659 3.262 20 0 JGADLO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CCc1ccc(O)cc1)[NH+]1CCOCC1 ZINC001302510772 1067119606 /nfs/dbraw/zinc/11/96/06/1067119606.db2.gz NVBLQHIGRMFJGI-XUZZJYLKSA-N 1 2 498.672 3.034 20 0 JGADLO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001302514105 1067129425 /nfs/dbraw/zinc/12/94/25/1067129425.db2.gz NQXZJNRIGKFEFT-ZWKOTPCHSA-N 1 2 495.550 3.061 20 0 JGADLO CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)NC(=O)OC(C)(C)C ZINC001302522913 1067142867 /nfs/dbraw/zinc/14/28/67/1067142867.db2.gz GRXXZGDGZYJIQH-CTNGQTDRSA-N 1 2 499.660 3.355 20 0 JGADLO CC(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1)NC(=O)OC(C)(C)C ZINC001302522916 1067142874 /nfs/dbraw/zinc/14/28/74/1067142874.db2.gz GRXXZGDGZYJIQH-TZIWHRDSSA-N 1 2 499.660 3.355 20 0 JGADLO Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1 ZINC001304104175 1067145212 /nfs/dbraw/zinc/14/52/12/1067145212.db2.gz HAUHZZUEHXFXBR-JOCHJYFZSA-N 1 2 452.580 3.274 20 0 JGADLO Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1 ZINC001304104175 1067145220 /nfs/dbraw/zinc/14/52/20/1067145220.db2.gz HAUHZZUEHXFXBR-JOCHJYFZSA-N 1 2 452.580 3.274 20 0 JGADLO CS[C@@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001302546312 1067180574 /nfs/dbraw/zinc/18/05/74/1067180574.db2.gz XSCPFQWTTCSDTE-INIZCTEOSA-N 1 2 481.041 3.234 20 0 JGADLO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)[nH+]c2)cn1 ZINC001302554197 1067192314 /nfs/dbraw/zinc/19/23/14/1067192314.db2.gz JKVWUEFXHFTUBA-FQEVSTJZSA-N 1 2 450.591 3.231 20 0 JGADLO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCOC[C@@H]3C)CC2)c(C)o1 ZINC001304147476 1067193026 /nfs/dbraw/zinc/19/30/26/1067193026.db2.gz SXWFFJZGSKWDAI-SFHVURJKSA-N 1 2 486.661 3.196 20 0 JGADLO Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCOC[C@@H]3C)CC2)c(C)o1 ZINC001304147476 1067193028 /nfs/dbraw/zinc/19/30/28/1067193028.db2.gz SXWFFJZGSKWDAI-SFHVURJKSA-N 1 2 486.661 3.196 20 0 JGADLO Cc1cc([C@@](C)(O)Cn2c(-c3ccccc3Cl)nnc2N(C)CC[NH+]2CCOCC2)c(C)o1 ZINC001304150064 1067195209 /nfs/dbraw/zinc/19/52/09/1067195209.db2.gz KILRWKUJDFFPNI-DEOSSOPVSA-N 1 2 474.005 3.484 20 0 JGADLO CS[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001302566137 1067205425 /nfs/dbraw/zinc/20/54/25/1067205425.db2.gz KSJMRUMOQSODGE-FQEVSTJZSA-N 1 2 483.690 3.440 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001304168280 1067215139 /nfs/dbraw/zinc/21/51/39/1067215139.db2.gz GCXFTQAOPDJUJB-VXKWHMMOSA-N 1 2 457.619 3.200 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001304169542 1067217232 /nfs/dbraw/zinc/21/72/32/1067217232.db2.gz VIGUOZPKLNIEAQ-FGZHOGPDSA-N 1 2 457.619 3.057 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H]3CCCOC3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001304169542 1067217240 /nfs/dbraw/zinc/21/72/40/1067217240.db2.gz VIGUOZPKLNIEAQ-FGZHOGPDSA-N 1 2 457.619 3.057 20 0 JGADLO Cc1cc(C)cc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCCNc2cccc[nH+]2)c1 ZINC001304178996 1067228380 /nfs/dbraw/zinc/22/83/80/1067228380.db2.gz PVAAAZAULACPMF-QFIPXVFZSA-N 1 2 498.653 3.385 20 0 JGADLO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001302593388 1067231543 /nfs/dbraw/zinc/23/15/43/1067231543.db2.gz GCNBTFRFCFMKLQ-JRKSQCMJSA-N 1 2 459.637 3.001 20 0 JGADLO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001302593388 1067231546 /nfs/dbraw/zinc/23/15/46/1067231546.db2.gz GCNBTFRFCFMKLQ-JRKSQCMJSA-N 1 2 459.637 3.001 20 0 JGADLO Cc1cccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC001304197856 1067247308 /nfs/dbraw/zinc/24/73/08/1067247308.db2.gz DKERNBGQXPAUDG-HXUWFJFHSA-N 1 2 497.669 3.267 20 0 JGADLO CSC1(Cn2c(COc3cc(C)ccc3C)nnc2N(C)CC[NH+]2CCOCC2)CCOCC1 ZINC001302623626 1067253650 /nfs/dbraw/zinc/25/36/50/1067253650.db2.gz ITTKCYAKCCSUKI-UHFFFAOYSA-N 1 2 489.686 3.155 20 0 JGADLO Cc1cc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CC[NH+]2CCOCC2)cs1 ZINC001304212032 1067256078 /nfs/dbraw/zinc/25/60/78/1067256078.db2.gz XDZXBIFBOHOHRF-UHFFFAOYSA-N 1 2 489.045 3.048 20 0 JGADLO CC(C)c1nnc(N2CCC(Cn3cncn3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001302628845 1067259136 /nfs/dbraw/zinc/25/91/36/1067259136.db2.gz KKNLWGPXAZYGQA-HXUWFJFHSA-N 1 2 458.561 3.491 20 0 JGADLO CC(C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001302634091 1067263203 /nfs/dbraw/zinc/26/32/03/1067263203.db2.gz SLGAPOVPEYXTSJ-UHFFFAOYSA-N 1 2 465.577 3.449 20 0 JGADLO CC(C)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001302654612 1067282940 /nfs/dbraw/zinc/28/29/40/1067282940.db2.gz KBWSJQVOWSUWKV-LJQANCHMSA-N 1 2 462.639 3.007 20 0 JGADLO Cc1ccc(C(=O)NCCn2c(CC(C)(C)C)nnc2N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001304267490 1067300250 /nfs/dbraw/zinc/30/02/50/1067300250.db2.gz RMRHIQOQBMHUTF-UHFFFAOYSA-N 1 2 461.614 3.327 20 0 JGADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001302678992 1067305176 /nfs/dbraw/zinc/30/51/76/1067305176.db2.gz INFGJJZMFQPRNP-VSKRKVRLSA-N 1 2 474.694 3.376 20 0 JGADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCc1ccccc1Cl ZINC001302680901 1067306410 /nfs/dbraw/zinc/30/64/10/1067306410.db2.gz RNKHLLJFVLMTRQ-LJQANCHMSA-N 1 2 459.038 3.431 20 0 JGADLO Cc1ccc([C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)[NH+]2CCOCC2)cc1 ZINC001304273762 1067310241 /nfs/dbraw/zinc/31/02/41/1067310241.db2.gz JXAVFQBCYLOYMP-QHCPKHFHSA-N 1 2 497.688 3.414 20 0 JGADLO Cc1ccc([C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)[NH+]2CCOCC2)cc1 ZINC001304273761 1067310276 /nfs/dbraw/zinc/31/02/76/1067310276.db2.gz JXAVFQBCYLOYMP-HSZRJFAPSA-N 1 2 497.688 3.414 20 0 JGADLO Cc1ccc([C@H](Cn2c(C(C)C)nnc2N2CCC(CC(=O)N(C)C)CC2)[NH+]2CCOCC2)cc1 ZINC001304276910 1067315870 /nfs/dbraw/zinc/31/58/70/1067315870.db2.gz WGYCQWUXWOURCS-DEOSSOPVSA-N 1 2 482.673 3.478 20 0 JGADLO CC(C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCc1cccc(F)c1 ZINC001302693864 1067318629 /nfs/dbraw/zinc/31/86/29/1067318629.db2.gz XRBRIOLSIAESJP-QHCPKHFHSA-N 1 2 458.626 3.015 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CCc2cn3ccccc3[nH+]2)c1 ZINC001304282009 1067322795 /nfs/dbraw/zinc/32/27/95/1067322795.db2.gz FKYDFWUNOUAFSX-LJQANCHMSA-N 1 2 461.570 3.064 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N(C)CCc3nccs3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001304282914 1067323412 /nfs/dbraw/zinc/32/34/12/1067323412.db2.gz OKOXOBVFMIYWJI-HXUWFJFHSA-N 1 2 470.643 3.330 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N(C)CCc3nccs3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001304282914 1067323424 /nfs/dbraw/zinc/32/34/24/1067323424.db2.gz OKOXOBVFMIYWJI-HXUWFJFHSA-N 1 2 470.643 3.330 20 0 JGADLO Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001304287818 1067330731 /nfs/dbraw/zinc/33/07/31/1067330731.db2.gz KFMJVYYAZJRHMK-DHIUTWEWSA-N 1 2 471.646 3.446 20 0 JGADLO Cc1ccc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCOCC3(C)C)CC2)cc1 ZINC001304293664 1067343011 /nfs/dbraw/zinc/34/30/11/1067343011.db2.gz KFOFFOZAJIXSBL-UHFFFAOYSA-N 1 2 482.673 3.394 20 0 JGADLO Cc1ccc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCOCC3(C)C)CC2)cc1 ZINC001304293664 1067343024 /nfs/dbraw/zinc/34/30/24/1067343024.db2.gz KFOFFOZAJIXSBL-UHFFFAOYSA-N 1 2 482.673 3.394 20 0 JGADLO Cc1ccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC001304298052 1067347347 /nfs/dbraw/zinc/34/73/47/1067347347.db2.gz SOLTYSPMNXUMAE-RTBURBONSA-N 1 2 482.610 3.397 20 0 JGADLO Cc1ccc(-c2nnc(N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@H](C)[NH+]2CCOCC2)o1 ZINC001304298071 1067347563 /nfs/dbraw/zinc/34/75/63/1067347563.db2.gz SZAHUHHDGLSGEH-PKOBYXMFSA-N 1 2 487.626 3.168 20 0 JGADLO Cc1ccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2C[C@H](C)[NH+]2CCOCC2)o1 ZINC001304298068 1067347600 /nfs/dbraw/zinc/34/76/00/1067347600.db2.gz SZAHUHHDGLSGEH-HKUYNNGSSA-N 1 2 487.626 3.168 20 0 JGADLO Cc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CCOc2cccc(C(F)(F)F)n2)o1 ZINC001304304874 1067352915 /nfs/dbraw/zinc/35/29/15/1067352915.db2.gz UOAWCWRYOWULCH-UHFFFAOYSA-N 1 2 480.491 3.108 20 0 JGADLO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@@H+]2CCOC[C@H]2C)o1 ZINC001304321990 1067369488 /nfs/dbraw/zinc/36/94/88/1067369488.db2.gz IQKBWNHQLSGGBE-ZWKOTPCHSA-N 1 2 474.606 3.013 20 0 JGADLO Cc1ccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@H+]2CCOC[C@H]2C)o1 ZINC001304321990 1067369497 /nfs/dbraw/zinc/36/94/97/1067369497.db2.gz IQKBWNHQLSGGBE-ZWKOTPCHSA-N 1 2 474.606 3.013 20 0 JGADLO CC(C)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)CCS1 ZINC001302786797 1067378613 /nfs/dbraw/zinc/37/86/13/1067378613.db2.gz FSWOOBZPJSCXBP-LJQANCHMSA-N 1 2 485.683 3.357 20 0 JGADLO CSCCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001302804127 1067392500 /nfs/dbraw/zinc/39/25/00/1067392500.db2.gz ZIQNXRZYICSENY-MRXNPFEDSA-N 1 2 463.051 3.141 20 0 JGADLO Cc1ccc(Cn2c(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)c(F)c1 ZINC001304363973 1067402360 /nfs/dbraw/zinc/40/23/60/1067402360.db2.gz MJMVJGMYFGSSBT-QFIPXVFZSA-N 1 2 472.653 3.303 20 0 JGADLO CSCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001302826098 1067416243 /nfs/dbraw/zinc/41/62/43/1067416243.db2.gz GXZAUFFJQQISLE-UHFFFAOYSA-N 1 2 457.579 3.174 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CC[C@@H](F)C2)cc1C ZINC001304376119 1067416747 /nfs/dbraw/zinc/41/67/47/1067416747.db2.gz SWDCDABNLRQYPE-VQTJNVASSA-N 1 2 458.582 3.054 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CC=CCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001304378016 1067421360 /nfs/dbraw/zinc/42/13/60/1067421360.db2.gz KTBMEKOYHCTDPY-JOCHJYFZSA-N 1 2 452.603 3.270 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001304382769 1067431452 /nfs/dbraw/zinc/43/14/52/1067431452.db2.gz HRTVCMAKNNZLOV-JOCHJYFZSA-N 1 2 484.645 3.119 20 0 JGADLO Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001304382769 1067431453 /nfs/dbraw/zinc/43/14/53/1067431453.db2.gz HRTVCMAKNNZLOV-JOCHJYFZSA-N 1 2 484.645 3.119 20 0 JGADLO CC(C)Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001302892311 1067472510 /nfs/dbraw/zinc/47/25/10/1067472510.db2.gz FOLPUUADVZZDLV-OAQYLSRUSA-N 1 2 499.660 3.108 20 0 JGADLO CC(C)Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001302902293 1067487536 /nfs/dbraw/zinc/48/75/36/1067487536.db2.gz FGSVOGBERICLPU-HXUWFJFHSA-N 1 2 481.563 3.444 20 0 JGADLO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccccc2F)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001302912916 1067498100 /nfs/dbraw/zinc/49/81/00/1067498100.db2.gz BNPUCRAHCPCUOW-IBGZPJMESA-N 1 2 474.625 3.026 20 0 JGADLO C[C@H]1COC(C)(C)CN1c1nnc(COc2ccccc2F)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001302912916 1067498104 /nfs/dbraw/zinc/49/81/04/1067498104.db2.gz BNPUCRAHCPCUOW-IBGZPJMESA-N 1 2 474.625 3.026 20 0 JGADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001304425603 1067503362 /nfs/dbraw/zinc/50/33/62/1067503362.db2.gz RHSHDIKBVCKGPX-RBBKRZOGSA-N 1 2 457.619 3.138 20 0 JGADLO CC(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001302932152 1067507889 /nfs/dbraw/zinc/50/78/89/1067507889.db2.gz WTLPMQREIUYJEG-LEWJYISDSA-N 1 2 465.639 3.322 20 0 JGADLO CC(C)Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001302932154 1067507974 /nfs/dbraw/zinc/50/79/74/1067507974.db2.gz WTLPMQREIUYJEG-RTWAWAEBSA-N 1 2 465.639 3.322 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)CCc3cnccn3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001304435391 1067514547 /nfs/dbraw/zinc/51/45/47/1067514547.db2.gz VWFGPTIRCTYXIX-FQEVSTJZSA-N 1 2 467.643 3.068 20 0 JGADLO Cc1ccc(SCc2nnc(N(C)CCc3cnccn3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001304435391 1067514555 /nfs/dbraw/zinc/51/45/55/1067514555.db2.gz VWFGPTIRCTYXIX-FQEVSTJZSA-N 1 2 467.643 3.068 20 0 JGADLO Cc1ccc(SCc2nnc(N3CC[NH+](C(C)C)CC3)n2CC2(CS(C)(=O)=O)CC2)cc1 ZINC001304437566 1067516879 /nfs/dbraw/zinc/51/68/79/1067516879.db2.gz DNPZCHGWTBGMBC-UHFFFAOYSA-N 1 2 477.700 3.234 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(CSc4ccc(C)cc4)n3CCCC(=O)N(C)C)CC2)on1 ZINC001304437733 1067517265 /nfs/dbraw/zinc/51/72/65/1067517265.db2.gz RDGNQUILJUBJCQ-UHFFFAOYSA-N 1 2 497.669 3.366 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC(F)(F)c1ccccc1 ZINC001302946629 1067519955 /nfs/dbraw/zinc/51/99/55/1067519955.db2.gz PXANQYTYSCNHNF-FQEVSTJZSA-N 1 2 474.600 3.402 20 0 JGADLO Cc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCO[C@@H](COC(C)C)C2)[NH+]2CCOCC2)c1 ZINC001304441610 1067522577 /nfs/dbraw/zinc/52/25/77/1067522577.db2.gz AEPMQNVRXDTYLG-RPWUZVMVSA-N 1 2 471.646 3.414 20 0 JGADLO Cc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCO[C@@H](COC(C)C)C2)[NH+]2CCOCC2)c1 ZINC001304441609 1067522601 /nfs/dbraw/zinc/52/26/01/1067522601.db2.gz AEPMQNVRXDTYLG-DNQXCXABSA-N 1 2 471.646 3.414 20 0 JGADLO Cc1cccc([C@@H](Cn2c(Cc3ccsc3)nnc2N(C)[C@H](C)CC(N)=O)[NH+]2CCOCC2)c1 ZINC001304442461 1067523852 /nfs/dbraw/zinc/52/38/52/1067523852.db2.gz KWIXFIHUNSHZFX-DENIHFKCSA-N 1 2 482.654 3.012 20 0 JGADLO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1cc(F)ccc1F ZINC001302965726 1067535938 /nfs/dbraw/zinc/53/59/38/1067535938.db2.gz ULTDBTYIBUCBHA-QFIPXVFZSA-N 1 2 476.616 3.034 20 0 JGADLO Cc1cccc(CCCn2c(-c3ccc(Br)s3)nnc2N2CC[C@@H](C(N)=O)C2)[nH+]1 ZINC001304481259 1067561045 /nfs/dbraw/zinc/56/10/45/1067561045.db2.gz CQBNLSITAQHGMS-CQSZACIVSA-N 1 2 475.416 3.417 20 0 JGADLO Cc1cccc(CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCNC(=O)CC2)[nH+]1 ZINC001304482015 1067561581 /nfs/dbraw/zinc/56/15/81/1067561581.db2.gz JHBTUUDARWSOEP-GOSISDBHSA-N 1 2 452.534 3.220 20 0 JGADLO CC(C)CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001303009618 1067564165 /nfs/dbraw/zinc/56/41/65/1067564165.db2.gz JEWRRFVPGFALOV-RUZDIDTESA-N 1 2 451.619 3.495 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ncnn2CC(F)F)[nH+]1 ZINC001304486094 1067564569 /nfs/dbraw/zinc/56/45/69/1067564569.db2.gz IQECENOQYNWHQZ-SFHVURJKSA-N 1 2 460.533 3.349 20 0 JGADLO Cc1cccc(CCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ncnn2CC(F)F)[nH+]1 ZINC001304486093 1067564615 /nfs/dbraw/zinc/56/46/15/1067564615.db2.gz IQECENOQYNWHQZ-GOSISDBHSA-N 1 2 460.533 3.349 20 0 JGADLO Cc1cccc(CCCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)[C@@H](C)CC(N)=O)[nH+]1 ZINC001304486364 1067564864 /nfs/dbraw/zinc/56/48/64/1067564864.db2.gz LAFRTLYHRWLHMN-VQTJNVASSA-N 1 2 499.660 3.429 20 0 JGADLO Cc1cccc(CCCn2c(-c3cnccn3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001304487037 1067565552 /nfs/dbraw/zinc/56/55/52/1067565552.db2.gz QXXUITISWKXYEJ-UTKZUKDTSA-N 1 2 478.601 3.421 20 0 JGADLO Cc1cccc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(F)c2)[nH+]1 ZINC001304487145 1067565606 /nfs/dbraw/zinc/56/56/06/1067565606.db2.gz UQCUMBDKJQHELR-IBGZPJMESA-N 1 2 457.575 3.292 20 0 JGADLO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001303011759 1067566356 /nfs/dbraw/zinc/56/63/56/1067566356.db2.gz UWBMRUNXNMDGIU-FQRUVTKNSA-N 1 2 485.677 3.030 20 0 JGADLO Cc1cccc(CCCn2c(COc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)[nH+]1 ZINC001304489470 1067568110 /nfs/dbraw/zinc/56/81/10/1067568110.db2.gz ZZVYIFNBBUDZHJ-SFHVURJKSA-N 1 2 452.534 3.034 20 0 JGADLO Cc1cccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccc(Cl)nc2)c1 ZINC001304505113 1067579252 /nfs/dbraw/zinc/57/92/52/1067579252.db2.gz ZAGPPGIDUBDCSX-UHFFFAOYSA-N 1 2 456.978 3.031 20 0 JGADLO CC(C)CCCn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001303041978 1067586581 /nfs/dbraw/zinc/58/65/81/1067586581.db2.gz ZYUWPTMFWXPZCU-HXUWFJFHSA-N 1 2 458.676 3.500 20 0 JGADLO Cc1cccc(OCc2nnc(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)n2CC(C)C)c1 ZINC001304511540 1067587273 /nfs/dbraw/zinc/58/72/73/1067587273.db2.gz DWKHNUPPZYIUPU-DEOSSOPVSA-N 1 2 470.662 3.053 20 0 JGADLO CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@@H]1COC2(CCC2)C1 ZINC001303054774 1067594024 /nfs/dbraw/zinc/59/40/24/1067594024.db2.gz VLFVDBZJUHAXFR-SFTDATJTSA-N 1 2 454.571 3.195 20 0 JGADLO Cc1ccccc1-c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001304522027 1067596797 /nfs/dbraw/zinc/59/67/97/1067596797.db2.gz MVYDEGRFQYDYMP-YLJYHZDGSA-N 1 2 461.657 3.487 20 0 JGADLO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001304522948 1067597465 /nfs/dbraw/zinc/59/74/65/1067597465.db2.gz XRYBNEQZYQJUOL-AZUAARDMSA-N 1 2 468.627 3.195 20 0 JGADLO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001304523820 1067597912 /nfs/dbraw/zinc/59/79/12/1067597912.db2.gz MZASBCVADNWBGK-UHFFFAOYSA-N 1 2 467.528 3.256 20 0 JGADLO O=C(Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(c2cccc[nH+]2)CC1)NCC(F)F ZINC001303070169 1067604998 /nfs/dbraw/zinc/60/49/98/1067604998.db2.gz LQVAGFKLMILDDH-UHFFFAOYSA-N 1 2 496.349 3.355 20 0 JGADLO Cc1ccccc1Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001304561602 1067631944 /nfs/dbraw/zinc/63/19/44/1067631944.db2.gz PCOVREQBVJZHFT-MGBGTMOVSA-N 1 2 475.703 3.272 20 0 JGADLO Cc1ccccc1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001304569921 1067637429 /nfs/dbraw/zinc/63/74/29/1067637429.db2.gz FYWWHUSWKHNWEL-FQEVSTJZSA-N 1 2 459.660 3.031 20 0 JGADLO Cc1ccccc1C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(C)C)CC1 ZINC001304570089 1067637905 /nfs/dbraw/zinc/63/79/05/1067637905.db2.gz JKOGTQAEWCHVRL-JOCHJYFZSA-N 1 2 459.660 3.247 20 0 JGADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)CCC2 ZINC001304608235 1067676125 /nfs/dbraw/zinc/67/61/25/1067676125.db2.gz MCLASNGEQLFCMV-IAGOWNOFSA-N 1 2 481.567 3.454 20 0 JGADLO Cc1csc([C@@H](C)Cn2c(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)nnc2C(C)(C)C)n1 ZINC001304617900 1067685971 /nfs/dbraw/zinc/68/59/71/1067685971.db2.gz DUKFTCRNMHDFGW-FPOVZHCZSA-N 1 2 489.734 3.375 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCS(C)(=O)=O)CC1 ZINC001303184184 1067717329 /nfs/dbraw/zinc/71/73/29/1067717329.db2.gz JMLZVJXVFQXAFI-GOSISDBHSA-N 1 2 484.066 3.284 20 0 JGADLO Cc1nc(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2CC[N@H+]2CCOC[C@@H]2C)cs1 ZINC001304651460 1067719406 /nfs/dbraw/zinc/71/94/06/1067719406.db2.gz OKNJOEZKZBAACV-HNNXBMFYSA-N 1 2 462.570 3.269 20 0 JGADLO Cc1nc(Cc2nnc(N(C)Cc3cc(F)cc(F)c3)n2CC[N@@H+]2CCOC[C@@H]2C)cs1 ZINC001304651460 1067719416 /nfs/dbraw/zinc/71/94/16/1067719416.db2.gz OKNJOEZKZBAACV-HNNXBMFYSA-N 1 2 462.570 3.269 20 0 JGADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(F)(F)F)c2)CC1 ZINC001303191931 1067726404 /nfs/dbraw/zinc/72/64/04/1067726404.db2.gz KESAEUHMMWOMIT-SFHVURJKSA-N 1 2 485.576 3.025 20 0 JGADLO CC(C)COC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC1 ZINC001303216081 1067753143 /nfs/dbraw/zinc/75/31/43/1067753143.db2.gz OFTMJZIRENVPLR-HXUWFJFHSA-N 1 2 499.660 3.159 20 0 JGADLO Cc1nc(CCn2c(CC(C)(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cs1 ZINC001304684734 1067756524 /nfs/dbraw/zinc/75/65/24/1067756524.db2.gz OYDVKPNJVWOHLS-GOSISDBHSA-N 1 2 473.691 3.007 20 0 JGADLO CC(C)CO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC001303224799 1067761668 /nfs/dbraw/zinc/76/16/68/1067761668.db2.gz VYWZWLRRFBBLDS-QFIPXVFZSA-N 1 2 483.661 3.491 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(C4CCCC4)n3CCC(=O)NC(C)(C)C)CC2)s1 ZINC001304698991 1067769050 /nfs/dbraw/zinc/76/90/50/1067769050.db2.gz AADOGWQYBDBBHK-UHFFFAOYSA-N 1 2 459.664 3.328 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4cccnc4)n3CCCOCC(F)F)CC2)s1 ZINC001304699919 1067770312 /nfs/dbraw/zinc/77/03/12/1067770312.db2.gz MIIASILRNAKJTA-UHFFFAOYSA-N 1 2 463.558 3.099 20 0 JGADLO CC(C)CSCCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001303241535 1067770778 /nfs/dbraw/zinc/77/07/78/1067770778.db2.gz NCNCSXRTTLQNQD-HXUWFJFHSA-N 1 2 473.691 3.185 20 0 JGADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCNC(=O)C(C)C)CC2)s1 ZINC001304700413 1067770940 /nfs/dbraw/zinc/77/09/40/1067770940.db2.gz PTWSSLPCKOZJBH-UHFFFAOYSA-N 1 2 488.061 3.458 20 0 JGADLO Cc1nc(N2CCN(c3nnc(C(C)C)n3C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)cc[nH+]1 ZINC001304700483 1067771011 /nfs/dbraw/zinc/77/10/11/1067771011.db2.gz SLYBTRKZXVJTAV-FQEVSTJZSA-N 1 2 484.649 3.474 20 0 JGADLO Cc1nc(N2CCN(c3nnc(C(C)C)n3C[C@](C)(O)c3ccccc3Cl)CC2)cc[nH+]1 ZINC001304700750 1067771522 /nfs/dbraw/zinc/77/15/22/1067771522.db2.gz WTWSEXALWMUHBJ-QHCPKHFHSA-N 1 2 455.994 3.388 20 0 JGADLO Cc1nc(N2CCN(c3nnc(-c4cccc(OC(F)F)c4)n3C[C@@](C)(O)C(C)C)CC2)cc[nH+]1 ZINC001304702618 1067774548 /nfs/dbraw/zinc/77/45/48/1067774548.db2.gz WDCLJJZKTRHKGW-XMMPIXPASA-N 1 2 487.555 3.379 20 0 JGADLO Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3C[C@](C)(O)c3ccc(F)cc3)CC2)cc[nH+]1 ZINC001304702818 1067775065 /nfs/dbraw/zinc/77/50/65/1067775065.db2.gz ZSVGNTLPZMIFGN-VWLOTQADSA-N 1 2 467.593 3.339 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)n1 ZINC001304735793 1067809810 /nfs/dbraw/zinc/80/98/10/1067809810.db2.gz KVOPHYFJKFUIAN-VQTJNVASSA-N 1 2 455.582 3.197 20 0 JGADLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)c3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)n1 ZINC001304735793 1067809817 /nfs/dbraw/zinc/80/98/17/1067809817.db2.gz KVOPHYFJKFUIAN-VQTJNVASSA-N 1 2 455.582 3.197 20 0 JGADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCC[C@H]3CCCCO3)CC2)C1 ZINC001303317717 1067847036 /nfs/dbraw/zinc/84/70/36/1067847036.db2.gz BNNLGKVMSFFNNR-PKTZIBPZSA-N 1 2 476.710 3.156 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCCOc3ccccc3)CC2)C1 ZINC001303318058 1067848016 /nfs/dbraw/zinc/84/80/16/1067848016.db2.gz HZPANIFSTKLZAH-XMMPIXPASA-N 1 2 484.689 3.276 20 0 JGADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(Cc4cccnc4)n3CCCC(C)(C)C)CC2)C1 ZINC001303317944 1067848084 /nfs/dbraw/zinc/84/80/84/1067848084.db2.gz FZOMMWQISIOMQZ-DEOSSOPVSA-N 1 2 483.705 3.321 20 0 JGADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(-c4ccccn4)n3CC(C)(C)C(F)(F)F)CC2)C1 ZINC001303318212 1067848502 /nfs/dbraw/zinc/84/85/02/1067848502.db2.gz KZGZDXIBBWMIFF-IBGZPJMESA-N 1 2 495.594 3.160 20 0 JGADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(-c4cccnc4)n3CC(C)(C)C(F)(F)F)CC2)C1 ZINC001303318223 1067849019 /nfs/dbraw/zinc/84/90/19/1067849019.db2.gz LKYNQZCIMQNVHR-HXUWFJFHSA-N 1 2 495.594 3.160 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1CC[N@@H+]1CCOCC1(C)C ZINC001303323641 1067852163 /nfs/dbraw/zinc/85/21/63/1067852163.db2.gz GFSPLKOUAWEEGU-MRXNPFEDSA-N 1 2 464.561 3.003 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2cc(F)ccc2F)n1CC[N@H+]1CCOCC1(C)C ZINC001303323641 1067852180 /nfs/dbraw/zinc/85/21/80/1067852180.db2.gz GFSPLKOUAWEEGU-MRXNPFEDSA-N 1 2 464.561 3.003 20 0 JGADLO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Br)s2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303331290 1067861218 /nfs/dbraw/zinc/86/12/18/1067861218.db2.gz LAHXHBADZNWQML-UHFFFAOYSA-N 1 2 492.447 3.386 20 0 JGADLO CC(C)NC(=O)c1nnc(N(Cc2ccccc2)C[C@H]2CCCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303343430 1067871559 /nfs/dbraw/zinc/87/15/59/1067871559.db2.gz LRUSHJKBZROJFE-JOCHJYFZSA-N 1 2 477.613 3.111 20 0 JGADLO Cc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001304789927 1067882317 /nfs/dbraw/zinc/88/23/17/1067882317.db2.gz ZBLDKMBXWRIOBW-GOSISDBHSA-N 1 2 483.642 3.111 20 0 JGADLO Cc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001304794851 1067883294 /nfs/dbraw/zinc/88/32/94/1067883294.db2.gz QFHFAJVITZMZGI-MRXNPFEDSA-N 1 2 469.537 3.110 20 0 JGADLO Cc1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1CCCNc1cccc[nH+]1 ZINC001304846146 1067901774 /nfs/dbraw/zinc/90/17/74/1067901774.db2.gz YGYOTZQDMGFRCG-UHFFFAOYSA-N 1 2 453.978 3.490 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCC(OC(C)(C)C)CC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001303374016 1067905461 /nfs/dbraw/zinc/90/54/61/1067905461.db2.gz QQQXGXBWJQDHGJ-UHFFFAOYSA-N 1 2 498.672 3.081 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001303389141 1067917963 /nfs/dbraw/zinc/91/79/63/1067917963.db2.gz LZMANAZFOAXGEM-HXUWFJFHSA-N 1 2 469.634 3.244 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001303389419 1067918388 /nfs/dbraw/zinc/91/83/88/1067918388.db2.gz OBXIRSFJWRATTN-QHCPKHFHSA-N 1 2 498.672 3.081 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCC(C)(F)F ZINC001303407562 1067934492 /nfs/dbraw/zinc/93/44/92/1067934492.db2.gz GPZRQRFNLLICMI-UHFFFAOYSA-N 1 2 454.953 3.437 20 0 JGADLO COc1cc(Br)cc(CNC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC001303412891 1067938734 /nfs/dbraw/zinc/93/87/34/1067938734.db2.gz PTXSHOXZIURPBA-HNNXBMFYSA-N 1 2 450.352 3.424 20 0 JGADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4cccc(Cl)c4)n3CCNC(=O)C(C)(C)C)CC2)on1 ZINC001304899812 1067943776 /nfs/dbraw/zinc/94/37/76/1067943776.db2.gz HZSGNEWJBYNUBX-UHFFFAOYSA-N 1 2 486.020 3.379 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001303421592 1067947322 /nfs/dbraw/zinc/94/73/22/1067947322.db2.gz VJJCDWRCVHEKID-ROUUACIJSA-N 1 2 457.648 3.180 20 0 JGADLO CC(C)NC(=O)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001303434591 1067958084 /nfs/dbraw/zinc/95/80/84/1067958084.db2.gz LWWLUKHULDLKSK-GOSISDBHSA-N 1 2 479.560 3.408 20 0 JGADLO CC(C)NC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001303452386 1067972273 /nfs/dbraw/zinc/97/22/73/1067972273.db2.gz CSUASYJREBVQLL-UHFFFAOYSA-N 1 2 461.614 3.002 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(Cl)s3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001303480868 1068001491 /nfs/dbraw/zinc/00/14/91/1068001491.db2.gz GAIRXKHABNBPGC-VGSWGCGISA-N 1 2 484.066 3.391 20 0 JGADLO CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(F)c3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001303482427 1068004424 /nfs/dbraw/zinc/00/44/24/1068004424.db2.gz ZMGDMFGXNFNXIE-RUZDIDTESA-N 1 2 475.609 3.205 20 0 JGADLO CC(C)O[C@]1(c2nnc(N(C)Cc3cccc(F)c3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001303482427 1068004438 /nfs/dbraw/zinc/00/44/38/1068004438.db2.gz ZMGDMFGXNFNXIE-RUZDIDTESA-N 1 2 475.609 3.205 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(F)c3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001303482428 1068004459 /nfs/dbraw/zinc/00/44/59/1068004459.db2.gz ZMGDMFGXNFNXIE-VWLOTQADSA-N 1 2 475.609 3.205 20 0 JGADLO CC(C)O[C@@]1(c2nnc(N(C)Cc3cccc(F)c3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001303482428 1068004475 /nfs/dbraw/zinc/00/44/75/1068004475.db2.gz ZMGDMFGXNFNXIE-VWLOTQADSA-N 1 2 475.609 3.205 20 0 JGADLO COc1cccnc1CC(=O)NCc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001303491965 1068016917 /nfs/dbraw/zinc/01/69/17/1068016917.db2.gz HEZPFJNQGDVQDZ-UHFFFAOYSA-N 1 2 454.571 3.002 20 0 JGADLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(CNC(=O)C3(c4cccnc4)CC3)cc2)CC1 ZINC001303492834 1068018222 /nfs/dbraw/zinc/01/82/22/1068018222.db2.gz MPQNRLZSFLUDCL-UHFFFAOYSA-N 1 2 450.583 3.482 20 0 JGADLO CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C)C3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCOC1 ZINC001303507653 1068041431 /nfs/dbraw/zinc/04/14/31/1068041431.db2.gz WPZXDULWEUATLC-GERBCZOESA-N 1 2 479.572 3.125 20 0 JGADLO CC(C)OC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001303524955 1068055166 /nfs/dbraw/zinc/05/51/66/1068055166.db2.gz WKIKKKBBUGCENS-SIKLNZKXSA-N 1 2 493.649 3.016 20 0 JGADLO CC(C)OC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001303528112 1068057042 /nfs/dbraw/zinc/05/70/42/1068057042.db2.gz XLLODFDRGIWJHD-PMACEKPBSA-N 1 2 476.572 3.204 20 0 JGADLO CC(C)OCCn1c(-c2ccccc2F)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001303561800 1068085375 /nfs/dbraw/zinc/08/53/75/1068085375.db2.gz XDVUMLBKTPVOLI-FQEVSTJZSA-N 1 2 472.609 3.032 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001305036012 1068092107 /nfs/dbraw/zinc/09/21/07/1068092107.db2.gz RHGWRDLLIDZLJQ-PMACEKPBSA-N 1 2 489.690 3.338 20 0 JGADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001305036015 1068092518 /nfs/dbraw/zinc/09/25/18/1068092518.db2.gz RHGWRDLLIDZLJQ-VQTJNVASSA-N 1 2 489.690 3.338 20 0 JGADLO C[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001305039250 1068094049 /nfs/dbraw/zinc/09/40/49/1068094049.db2.gz MKLCJDSANFIBOQ-UYAOXDASSA-N 1 2 463.623 3.078 20 0 JGADLO C[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001305039250 1068094063 /nfs/dbraw/zinc/09/40/63/1068094063.db2.gz MKLCJDSANFIBOQ-UYAOXDASSA-N 1 2 463.623 3.078 20 0 JGADLO CC(C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001303596212 1068119500 /nfs/dbraw/zinc/11/95/00/1068119500.db2.gz MVKQENZAKVXVMG-BXKMTCNYSA-N 1 2 473.572 3.247 20 0 JGADLO CC(C)NC(=O)c1nnc(N2CCS[C@@H](C)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001305064704 1068135734 /nfs/dbraw/zinc/13/57/34/1068135734.db2.gz DMQYGRVFZCPLIM-SFHVURJKSA-N 1 2 457.648 3.038 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C ZINC001305095982 1068163394 /nfs/dbraw/zinc/16/33/94/1068163394.db2.gz RKJJDBGVPBGLLW-ZJSJBZJDSA-N 1 2 463.623 3.105 20 0 JGADLO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccccc2Br)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001303644004 1068171931 /nfs/dbraw/zinc/17/19/31/1068171931.db2.gz FTYOSECCOUXZJP-MRXNPFEDSA-N 1 2 498.429 3.451 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001305109527 1068179508 /nfs/dbraw/zinc/17/95/08/1068179508.db2.gz RASZMXLVFQMLRL-ONUIULTDSA-N 1 2 476.666 3.252 20 0 JGADLO C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001305109527 1068179511 /nfs/dbraw/zinc/17/95/11/1068179511.db2.gz RASZMXLVFQMLRL-ONUIULTDSA-N 1 2 476.666 3.252 20 0 JGADLO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001303663694 1068195567 /nfs/dbraw/zinc/19/55/67/1068195567.db2.gz OEYUNOGVMFFDMH-SFHVURJKSA-N 1 2 460.586 3.351 20 0 JGADLO CC(C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001305123410 1068207820 /nfs/dbraw/zinc/20/78/20/1068207820.db2.gz VVVFRXWVWWLFEY-MRXNPFEDSA-N 1 2 458.998 3.093 20 0 JGADLO C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001303673483 1068210356 /nfs/dbraw/zinc/21/03/56/1068210356.db2.gz CDSMQUSXORBHFR-UYAOXDASSA-N 1 2 499.660 3.309 20 0 JGADLO C[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC001303695406 1068238284 /nfs/dbraw/zinc/23/82/84/1068238284.db2.gz IORWQLICYBQMJN-CABCVRRESA-N 1 2 484.464 3.494 20 0 JGADLO C[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N(C)CC(F)(F)F)[NH+]1CCOCC1 ZINC001303697619 1068240641 /nfs/dbraw/zinc/24/06/41/1068240641.db2.gz YZMHGMPPZMSXSB-NSHDSACASA-N 1 2 468.343 3.488 20 0 JGADLO C[C@@H](Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303713442 1068258993 /nfs/dbraw/zinc/25/89/93/1068258993.db2.gz MUIJSFHIJPDAJI-VQTJNVASSA-N 1 2 476.666 3.398 20 0 JGADLO C[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001303714475 1068261166 /nfs/dbraw/zinc/26/11/66/1068261166.db2.gz WONXADQWQPFLNU-OALUTQOASA-N 1 2 462.639 3.007 20 0 JGADLO C[C@H](Cn1c(C2CCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[N@@H+]1CCc2ccccc2C1 ZINC001303714555 1068261278 /nfs/dbraw/zinc/26/12/78/1068261278.db2.gz ZMCVRMFVGHJANV-QYZOEREBSA-N 1 2 459.660 3.250 20 0 JGADLO C[C@H](Cn1c(C2CCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[N@H+]1CCc2ccccc2C1 ZINC001303714555 1068261290 /nfs/dbraw/zinc/26/12/90/1068261290.db2.gz ZMCVRMFVGHJANV-QYZOEREBSA-N 1 2 459.660 3.250 20 0 JGADLO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1)[NH+]1CCOCC1 ZINC001303723476 1068273981 /nfs/dbraw/zinc/27/39/81/1068273981.db2.gz HIMNZEASWLSTJN-HXUWFJFHSA-N 1 2 486.636 3.079 20 0 JGADLO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccccc2F)C[C@@H]1C)[NH+]1CCOCC1 ZINC001303724196 1068275450 /nfs/dbraw/zinc/27/54/50/1068275450.db2.gz JNOCCWJSRGNOMN-PMACEKPBSA-N 1 2 458.626 3.442 20 0 JGADLO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C)[NH+]1CCOCC1 ZINC001303726429 1068278646 /nfs/dbraw/zinc/27/86/46/1068278646.db2.gz DBAJATMWYJZRRY-SFHVURJKSA-N 1 2 450.027 3.494 20 0 JGADLO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C)[NH+]1CCOCC1 ZINC001303726428 1068278722 /nfs/dbraw/zinc/27/87/22/1068278722.db2.gz DBAJATMWYJZRRY-GOSISDBHSA-N 1 2 450.027 3.494 20 0 JGADLO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(F)F)C1)[NH+]1CCOCC1 ZINC001303726934 1068280597 /nfs/dbraw/zinc/28/05/97/1068280597.db2.gz IFCDVGOTBWELPX-HZPDHXFCSA-N 1 2 455.500 3.349 20 0 JGADLO C[C@H](Cn1c(Cc2cccnc2)nnc1N(CCC(F)(F)F)CC1CC1)[NH+]1CCOCC1 ZINC001303728991 1068283947 /nfs/dbraw/zinc/28/39/47/1068283947.db2.gz RDJBEQHSOBYCGT-QGZVFWFLSA-N 1 2 452.525 3.153 20 0 JGADLO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CCc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC001303731030 1068286016 /nfs/dbraw/zinc/28/60/16/1068286016.db2.gz HKQZRYMSHPHZPE-LJQANCHMSA-N 1 2 499.457 3.426 20 0 JGADLO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F)[NH+]1CCOCC1 ZINC001303732326 1068288072 /nfs/dbraw/zinc/28/80/72/1068288072.db2.gz UHJNLJIJJHFMAQ-MSOLQXFVSA-N 1 2 456.541 3.460 20 0 JGADLO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)S1 ZINC001305213119 1068344566 /nfs/dbraw/zinc/34/45/66/1068344566.db2.gz ZDFOYAMNGIDYLU-HZPDHXFCSA-N 1 2 471.656 3.109 20 0 JGADLO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@H](C)C1)[NH+]1CCOCC1 ZINC001305218383 1068355599 /nfs/dbraw/zinc/35/55/99/1068355599.db2.gz ZBBSDJARTFTZLJ-QRVBRYPASA-N 1 2 480.679 3.013 20 0 JGADLO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS[C@@H](C)C1)[NH+]1CCOCC1 ZINC001305218384 1068355834 /nfs/dbraw/zinc/35/58/34/1068355834.db2.gz ZBBSDJARTFTZLJ-QYZOEREBSA-N 1 2 480.679 3.013 20 0 JGADLO CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001303789452 1068372930 /nfs/dbraw/zinc/37/29/30/1068372930.db2.gz AUGCIKMUYCMKDQ-RBUKOAKNSA-N 1 2 451.567 3.141 20 0 JGADLO C[C@@H]1OCC[C@@]1(O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001305246521 1068399971 /nfs/dbraw/zinc/39/99/71/1068399971.db2.gz FLUPQAHBINAFOV-UQBPGWFLSA-N 1 2 492.064 3.261 20 0 JGADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C(C)(C)C)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001303828955 1068451097 /nfs/dbraw/zinc/45/10/97/1068451097.db2.gz PXDXLYZUTDAIFD-RXVVDRJESA-N 1 2 485.658 3.054 20 0 JGADLO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001305269193 1068460789 /nfs/dbraw/zinc/46/07/89/1068460789.db2.gz NPDLNQJUXIJXBN-HXUWFJFHSA-N 1 2 464.570 3.112 20 0 JGADLO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001305272504 1068471572 /nfs/dbraw/zinc/47/15/72/1068471572.db2.gz XIPAMHSYPZGAAM-FQEVSTJZSA-N 1 2 465.577 3.012 20 0 JGADLO CC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001305286550 1068487728 /nfs/dbraw/zinc/48/77/28/1068487728.db2.gz GZWRAMLTAVPHKU-SANMLTNESA-N 1 2 477.613 3.332 20 0 JGADLO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001305293504 1068497830 /nfs/dbraw/zinc/49/78/30/1068497830.db2.gz KHNVGLZQHPXAJO-BXKMTCNYSA-N 1 2 493.027 3.032 20 0 JGADLO CC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001305306141 1068513622 /nfs/dbraw/zinc/51/36/22/1068513622.db2.gz JUMSUQNONWKEAG-RUZDIDTESA-N 1 2 485.032 3.279 20 0 JGADLO CC[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001305314062 1068526891 /nfs/dbraw/zinc/52/68/91/1068526891.db2.gz QXYMFXYPAOODMN-RUZDIDTESA-N 1 2 450.587 3.357 20 0 JGADLO CC[C@@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001305314569 1068528008 /nfs/dbraw/zinc/52/80/08/1068528008.db2.gz QMIIMQZGPDTPIR-RUZDIDTESA-N 1 2 452.603 3.233 20 0 JGADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(F)(F)F)CC1 ZINC001303896919 1068536896 /nfs/dbraw/zinc/53/68/96/1068536896.db2.gz DLYNDGRAGLZRSY-SJORKVTESA-N 1 2 498.525 3.252 20 0 JGADLO CC[C@@H](C)[C@](C)(O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001305326707 1068549301 /nfs/dbraw/zinc/54/93/01/1068549301.db2.gz KARVGHXLMKQYEO-KBMIEXCESA-N 1 2 468.602 3.166 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCOC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303923852 1068578071 /nfs/dbraw/zinc/57/80/71/1068578071.db2.gz QWESIOGTKWZKBG-MOPGFXCFSA-N 1 2 461.582 3.141 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H]2CCOC2)n1CC[N@H+]1CCOCC1(C)C ZINC001303923852 1068578077 /nfs/dbraw/zinc/57/80/77/1068578077.db2.gz QWESIOGTKWZKBG-MOPGFXCFSA-N 1 2 461.582 3.141 20 0 JGADLO C[C@H](Oc1ccccc1F)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001303926000 1068583152 /nfs/dbraw/zinc/58/31/52/1068583152.db2.gz GVYMZGIPPCLQFS-KRWDZBQOSA-N 1 2 479.622 3.055 20 0 JGADLO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCCNc1cccc[nH+]1 ZINC001303931981 1068590390 /nfs/dbraw/zinc/59/03/90/1068590390.db2.gz MMSCGQWVDJSNAS-ZWKOTPCHSA-N 1 2 467.549 3.121 20 0 JGADLO CC[C@H](C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1)OC ZINC001305356951 1068606693 /nfs/dbraw/zinc/60/66/93/1068606693.db2.gz WAMQJBDWIRHQML-YYDVJCTNSA-N 1 2 475.609 3.313 20 0 JGADLO CC[C@@H](C)[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1)OC ZINC001305364850 1068620496 /nfs/dbraw/zinc/62/04/96/1068620496.db2.gz XQDYVTRMVQEJLU-QHAWAJNXSA-N 1 2 494.681 3.180 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC1([NH+]2CCOCC2)CC1 ZINC001305370391 1068624468 /nfs/dbraw/zinc/62/44/68/1068624468.db2.gz XFFXAVDPSUZKNG-RTBURBONSA-N 1 2 475.659 3.257 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2ccc(Br)cc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305379562 1068632480 /nfs/dbraw/zinc/63/24/80/1068632480.db2.gz CUYJOMQUGOJTAO-QGZVFWFLSA-N 1 2 477.451 3.355 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2ccc(C(=O)NC)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305382532 1068633202 /nfs/dbraw/zinc/63/32/02/1068633202.db2.gz VRQPJRLFFRWWBD-UXHICEINSA-N 1 2 491.640 3.456 20 0 JGADLO CC[C@@H](C)c1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001305391387 1068636890 /nfs/dbraw/zinc/63/68/90/1068636890.db2.gz QWYASAMSVPBVIA-SJORKVTESA-N 1 2 473.025 3.483 20 0 JGADLO CC[C@H](C)c1nnc(N(CCO)Cc2ccc(F)c(Br)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305408405 1068647433 /nfs/dbraw/zinc/64/74/33/1068647433.db2.gz WNIIDMVAYOADSP-IRXDYDNUSA-N 1 2 498.441 3.413 20 0 JGADLO CC[C@H](C)c1nnc(N(CCO)Cc2ccc(F)c(Br)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001305408403 1068647453 /nfs/dbraw/zinc/64/74/53/1068647453.db2.gz WNIIDMVAYOADSP-DLBZAZTESA-N 1 2 498.441 3.413 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001305424065 1068659562 /nfs/dbraw/zinc/65/95/62/1068659562.db2.gz CFKYWUYDUJRSGT-WMZOPIPTSA-N 1 2 459.557 3.496 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001305424737 1068660136 /nfs/dbraw/zinc/66/01/36/1068660136.db2.gz GSQHCCRSJKEZNZ-HNNXBMFYSA-N 1 2 469.619 3.008 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001305428875 1068667340 /nfs/dbraw/zinc/66/73/40/1068667340.db2.gz WLFUUGQLLPHEKP-FQEVSTJZSA-N 1 2 483.661 3.155 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305435220 1068671375 /nfs/dbraw/zinc/67/13/75/1068671375.db2.gz XJQOTRLMPDEUCJ-NMLBUPMWSA-N 1 2 464.655 3.252 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305435220 1068671381 /nfs/dbraw/zinc/67/13/81/1068671381.db2.gz XJQOTRLMPDEUCJ-NMLBUPMWSA-N 1 2 464.655 3.252 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305450881 1068686676 /nfs/dbraw/zinc/68/66/76/1068686676.db2.gz TUSSEVZHRWLVGF-RTBURBONSA-N 1 2 464.655 3.253 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305450881 1068686681 /nfs/dbraw/zinc/68/66/81/1068686681.db2.gz TUSSEVZHRWLVGF-RTBURBONSA-N 1 2 464.655 3.253 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305450880 1068686692 /nfs/dbraw/zinc/68/66/92/1068686692.db2.gz TUSSEVZHRWLVGF-RBUKOAKNSA-N 1 2 464.655 3.253 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305450880 1068686697 /nfs/dbraw/zinc/68/66/97/1068686697.db2.gz TUSSEVZHRWLVGF-RBUKOAKNSA-N 1 2 464.655 3.253 20 0 JGADLO CC[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001305464789 1068708847 /nfs/dbraw/zinc/70/88/47/1068708847.db2.gz CRMKNAKMADCENJ-SFHVURJKSA-N 1 2 482.654 3.408 20 0 JGADLO CC[C@H](C)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001305478688 1068717332 /nfs/dbraw/zinc/71/73/32/1068717332.db2.gz KBRPAPZHUQKTIF-WWNPGLIZSA-N 1 2 468.646 3.136 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001305517758 1068766585 /nfs/dbraw/zinc/76/65/85/1068766585.db2.gz ZVJZNHPLBPNRGL-RTBURBONSA-N 1 2 462.639 3.102 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCOC1CCCC1 ZINC001305518097 1068767617 /nfs/dbraw/zinc/76/76/17/1068767617.db2.gz GHNPHTCBIOZHBK-SFTDATJTSA-N 1 2 460.667 3.274 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](OC)c1ccc(F)cc1 ZINC001305520294 1068771926 /nfs/dbraw/zinc/77/19/26/1068771926.db2.gz VYLFSRMOJJSWOL-MIZPHKNDSA-N 1 2 486.636 3.451 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](OC)c1ccc(F)cc1 ZINC001305520293 1068771965 /nfs/dbraw/zinc/77/19/65/1068771965.db2.gz VYLFSRMOJJSWOL-JTAQYXEDSA-N 1 2 486.636 3.451 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001305520371 1068772397 /nfs/dbraw/zinc/77/23/97/1068772397.db2.gz WTFMHSHHYCULHJ-MOPGFXCFSA-N 1 2 472.609 3.121 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(c3cnccn3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001305528726 1068783163 /nfs/dbraw/zinc/78/31/63/1068783163.db2.gz MSJVPIWZKOEBPH-YLJYHZDGSA-N 1 2 470.572 3.489 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1Cc1conc1COC ZINC001305539102 1068806200 /nfs/dbraw/zinc/80/62/00/1068806200.db2.gz CTDKEWAFJGVEJL-QGZVFWFLSA-N 1 2 472.565 3.444 20 0 JGADLO CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001305539601 1068807498 /nfs/dbraw/zinc/80/74/98/1068807498.db2.gz FQUCRCPQISEXHM-MOPGFXCFSA-N 1 2 475.037 3.015 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001305541683 1068812919 /nfs/dbraw/zinc/81/29/19/1068812919.db2.gz ZMHSPASYLMNHJO-GOSISDBHSA-N 1 2 486.642 3.003 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@@H]1CCCCS1(=O)=O ZINC001305542886 1068816446 /nfs/dbraw/zinc/81/64/46/1068816446.db2.gz GOXDBOURLKMGLQ-IRLDBZIGSA-N 1 2 459.660 3.124 20 0 JGADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1Cc1cccn(CC)c1=O ZINC001305542802 1068816522 /nfs/dbraw/zinc/81/65/22/1068816522.db2.gz XCSUCXBJAYZYEQ-LJQANCHMSA-N 1 2 482.604 3.491 20 0 JGADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CC(C)(C)c1ccccn1 ZINC001305545329 1068822783 /nfs/dbraw/zinc/82/27/83/1068822783.db2.gz VRSQXIUURZEKPI-GOTSBHOMSA-N 1 2 483.705 3.396 20 0 JGADLO CC[C@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305563915 1068839922 /nfs/dbraw/zinc/83/99/22/1068839922.db2.gz MPCTVRNDMBZZJY-ACRUOGEOSA-N 1 2 481.707 3.229 20 0 JGADLO CC[C@H](C)CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001305579709 1068851417 /nfs/dbraw/zinc/85/14/17/1068851417.db2.gz SKDXBCBKAHZAJZ-NKKJXINNSA-N 1 2 481.707 3.009 20 0 JGADLO CC[C@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305598954 1068862997 /nfs/dbraw/zinc/86/29/97/1068862997.db2.gz OLLKMBYGBRXRES-PKOBYXMFSA-N 1 2 452.611 3.052 20 0 JGADLO CC[C@H](C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305598954 1068863007 /nfs/dbraw/zinc/86/30/07/1068863007.db2.gz OLLKMBYGBRXRES-PKOBYXMFSA-N 1 2 452.611 3.052 20 0 JGADLO CC[C@H](c1nnc(N2CCC(CCC(N)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC001305661540 1069001932 /nfs/dbraw/zinc/00/19/32/1069001932.db2.gz DOGRZCHOJQXJHU-REWPJTCUSA-N 1 2 468.646 3.023 20 0 JGADLO CC[C@H](c1nnc(N2CCC(CCC(N)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C)c1ccccc1 ZINC001305661540 1069001950 /nfs/dbraw/zinc/00/19/50/1069001950.db2.gz DOGRZCHOJQXJHU-REWPJTCUSA-N 1 2 468.646 3.023 20 0 JGADLO CC[C@@H](c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001305663379 1069004200 /nfs/dbraw/zinc/00/42/00/1069004200.db2.gz XXJLSTBKQJDEKU-SXWKCWPCSA-N 1 2 470.687 3.314 20 0 JGADLO CC[C@H](c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC[NH+]1CCSCC1)c1ccccc1 ZINC001305672255 1069019726 /nfs/dbraw/zinc/01/97/26/1069019726.db2.gz TVYIUUFHGZCHRW-VXKWHMMOSA-N 1 2 491.727 3.272 20 0 JGADLO CC[C@H](c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC001305675364 1069028229 /nfs/dbraw/zinc/02/82/29/1069028229.db2.gz PBPLDDSRGUNFFR-VXKWHMMOSA-N 1 2 482.654 3.343 20 0 JGADLO CC[C@@H](c1nnc(N2CCO[C@@H](COC(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC001305684826 1069045571 /nfs/dbraw/zinc/04/55/71/1069045571.db2.gz VNZWFQZXQAQAHH-GMKZXUHWSA-N 1 2 471.646 3.171 20 0 JGADLO CCC(CC)(Cn1c(CC2CCCC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001305699251 1069077401 /nfs/dbraw/zinc/07/74/01/1069077401.db2.gz LMWUQYLCVIDLKF-NRFANRHFSA-N 1 2 474.694 3.349 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1ccc(OC)cc1 ZINC001305759336 1069221050 /nfs/dbraw/zinc/22/10/50/1069221050.db2.gz MUNQLSBUXQMLIR-UHFFFAOYSA-N 1 2 477.613 3.277 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCCCCC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001305773569 1069253073 /nfs/dbraw/zinc/25/30/73/1069253073.db2.gz NOYLZZURXDMDCL-FQEVSTJZSA-N 1 2 483.665 3.468 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCCCCC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001305773569 1069253087 /nfs/dbraw/zinc/25/30/87/1069253087.db2.gz NOYLZZURXDMDCL-FQEVSTJZSA-N 1 2 483.665 3.468 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCCO[C@H](C)C2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001305777793 1069264143 /nfs/dbraw/zinc/26/41/43/1069264143.db2.gz RQRUOQTYCXGECI-GOSISDBHSA-N 1 2 451.575 3.046 20 0 JGADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1csc([C@@H](C)OC)n1 ZINC001305784487 1069280871 /nfs/dbraw/zinc/28/08/71/1069280871.db2.gz OGFPWXSCOGVHLZ-QGZVFWFLSA-N 1 2 498.657 3.130 20 0 JGADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CC(=O)CO4)CC3)c2c1C ZINC001164390123 718827747 /nfs/dbraw/zinc/82/77/47/718827747.db2.gz MVAQHKSDGZURSE-UHFFFAOYSA-N 1 2 472.611 3.491 20 0 JGADLO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164422150 718891084 /nfs/dbraw/zinc/89/10/84/718891084.db2.gz ZYTQEEDFKBQGBX-JTQLQIEISA-N 1 2 484.692 3.491 20 0 JGADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)CC2)C1=O ZINC001164644688 719282868 /nfs/dbraw/zinc/28/28/68/719282868.db2.gz QLCUJGIAAMQIGJ-UHFFFAOYSA-N 1 2 476.046 3.107 20 0 JGADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccc(Cl)s4)nc4c3CCC4)CC2)C1=O ZINC001164644688 719282874 /nfs/dbraw/zinc/28/28/74/719282874.db2.gz QLCUJGIAAMQIGJ-UHFFFAOYSA-N 1 2 476.046 3.107 20 0 JGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@H]5[C@H]4CC[C@@H]5OCc4ccncc4)c3C2)cc1 ZINC001164645109 719292393 /nfs/dbraw/zinc/29/23/93/719292393.db2.gz CBUBQKNXECEDCN-ZNZIZOMTSA-N 1 2 457.578 3.383 20 0 JGADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@H]5[C@H]4CC[C@@H]5OCc4ccncc4)c3C2)cc1 ZINC001164645109 719292395 /nfs/dbraw/zinc/29/23/95/719292395.db2.gz CBUBQKNXECEDCN-ZNZIZOMTSA-N 1 2 457.578 3.383 20 0 JGADLO CCOC(=O)c1nnc(SC)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164662962 719348425 /nfs/dbraw/zinc/34/84/25/719348425.db2.gz BMYBVTUHVBAUBV-UHFFFAOYSA-N 1 2 493.637 3.465 20 0 JGADLO CCOC(=O)c1nnc(SC)nc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164662962 719348428 /nfs/dbraw/zinc/34/84/28/719348428.db2.gz BMYBVTUHVBAUBV-UHFFFAOYSA-N 1 2 493.637 3.465 20 0 JGADLO CCOC(=O)Cc1cnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)nc1 ZINC001164660607 719350960 /nfs/dbraw/zinc/35/09/60/719350960.db2.gz VXXPPTXGQSNXSZ-UHFFFAOYSA-N 1 2 460.582 3.277 20 0 JGADLO CCOC(=O)Cc1cnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)nc1 ZINC001164660607 719350962 /nfs/dbraw/zinc/35/09/62/719350962.db2.gz VXXPPTXGQSNXSZ-UHFFFAOYSA-N 1 2 460.582 3.277 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(SCC(=O)OC)n1)CC2 ZINC001164658192 719354744 /nfs/dbraw/zinc/35/47/44/719354744.db2.gz FHNYCGZJOSZYOP-UHFFFAOYSA-N 1 2 478.622 3.436 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(SCC(=O)OC)n1)CC2 ZINC001164658192 719354749 /nfs/dbraw/zinc/35/47/49/719354749.db2.gz FHNYCGZJOSZYOP-UHFFFAOYSA-N 1 2 478.622 3.436 20 0 JGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1NC(=O)CS3)CC2 ZINC001164664575 719355891 /nfs/dbraw/zinc/35/58/91/719355891.db2.gz ONDPVVJYCFDOMQ-UHFFFAOYSA-N 1 2 461.595 3.216 20 0 JGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1NC(=O)CS3)CC2 ZINC001164664575 719355895 /nfs/dbraw/zinc/35/58/95/719355895.db2.gz ONDPVVJYCFDOMQ-UHFFFAOYSA-N 1 2 461.595 3.216 20 0 JGADLO CCOC(=O)c1cnc(SC)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164669404 719492638 /nfs/dbraw/zinc/49/26/38/719492638.db2.gz ULGMVFYUXYSEET-UHFFFAOYSA-N 1 2 460.575 3.386 20 0 JGADLO CCOC(=O)c1cnc(SC)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164669404 719492644 /nfs/dbraw/zinc/49/26/44/719492644.db2.gz ULGMVFYUXYSEET-UHFFFAOYSA-N 1 2 460.575 3.386 20 0 JGADLO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)C1 ZINC001164673932 719523140 /nfs/dbraw/zinc/52/31/40/719523140.db2.gz UFTCAHWVCPVRIL-JOCHJYFZSA-N 1 2 497.615 3.267 20 0 JGADLO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)C1 ZINC001164673932 719523147 /nfs/dbraw/zinc/52/31/47/719523147.db2.gz UFTCAHWVCPVRIL-JOCHJYFZSA-N 1 2 497.615 3.267 20 0 JGADLO O=C(c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(Cl)c1)N1CCOCC1 ZINC001164673337 719524609 /nfs/dbraw/zinc/52/46/09/719524609.db2.gz OUPCPNLLQSNYTH-UHFFFAOYSA-N 1 2 488.991 3.218 20 0 JGADLO O=C(c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(Cl)c1)N1CCOCC1 ZINC001164673337 719524615 /nfs/dbraw/zinc/52/46/15/719524615.db2.gz OUPCPNLLQSNYTH-UHFFFAOYSA-N 1 2 488.991 3.218 20 0 JGADLO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676472 719564443 /nfs/dbraw/zinc/56/44/43/719564443.db2.gz CDVPVRVDRKQVFZ-UHFFFAOYSA-N 1 2 464.860 3.037 20 0 JGADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN([C@@H](F)Oc3ccc(Cl)nn3)CC2)cc1 ZINC001164696327 719830379 /nfs/dbraw/zinc/83/03/79/719830379.db2.gz IBJCWINJKXQIOE-OAQYLSRUSA-N 1 2 456.909 3.162 20 0 JGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Oc2ccc(SC)cc2)ncn1 ZINC001164699260 719864026 /nfs/dbraw/zinc/86/40/26/719864026.db2.gz BJRCEHPUPLITKH-GAJHUEQPSA-N 1 2 458.584 3.224 20 0 JGADLO Cc1sc2ncnc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1-c1ccccc1 ZINC001164708289 719923940 /nfs/dbraw/zinc/92/39/40/719923940.db2.gz HPMZDXLYZQKSOP-UHFFFAOYSA-N 1 2 487.633 3.351 20 0 JGADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nnc(-c3ccc(F)cc3)c3ccccc31)CC2 ZINC001164709147 719924045 /nfs/dbraw/zinc/92/40/45/719924045.db2.gz ZMCMOHKGGFKKSG-UHFFFAOYSA-N 1 2 485.567 3.120 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)C2)C1 ZINC001164720432 720236873 /nfs/dbraw/zinc/23/68/73/720236873.db2.gz VVTPWWRAIJIOPW-FQEVSTJZSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc4nc(Cl)nc(Cl)c4c3)C2)C1 ZINC001164720432 720236890 /nfs/dbraw/zinc/23/68/90/720236890.db2.gz VVTPWWRAIJIOPW-FQEVSTJZSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)C2)C1 ZINC001164719810 720257938 /nfs/dbraw/zinc/25/79/38/720257938.db2.gz PCAXBDWGQPFTBA-HXUWFJFHSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc4c(Cl)nc(Cl)nc4c3)C2)C1 ZINC001164719810 720257950 /nfs/dbraw/zinc/25/79/50/720257950.db2.gz PCAXBDWGQPFTBA-HXUWFJFHSA-N 1 2 488.366 3.146 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc4ccnc(Cl)c43)C2)C1 ZINC001164720629 720261984 /nfs/dbraw/zinc/26/19/84/720261984.db2.gz ZHFVGZZPZWIQJZ-NRFANRHFSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cccc4ccnc(Cl)c43)C2)C1 ZINC001164720629 720261990 /nfs/dbraw/zinc/26/19/90/720261990.db2.gz ZHFVGZZPZWIQJZ-NRFANRHFSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc4ccnc(Cl)c43)C2)C1 ZINC001164720631 720263311 /nfs/dbraw/zinc/26/33/11/720263311.db2.gz ZHFVGZZPZWIQJZ-OAQYLSRUSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cccc4ccnc(Cl)c43)C2)C1 ZINC001164720631 720263316 /nfs/dbraw/zinc/26/33/16/720263316.db2.gz ZHFVGZZPZWIQJZ-OAQYLSRUSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc4ccccc4nc3Cl)C2)C1 ZINC001164720906 720266986 /nfs/dbraw/zinc/26/69/86/720266986.db2.gz FNVZRYOPFHSDQI-NRFANRHFSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc4ccccc4nc3Cl)C2)C1 ZINC001164720906 720266993 /nfs/dbraw/zinc/26/69/93/720266993.db2.gz FNVZRYOPFHSDQI-NRFANRHFSA-N 1 2 452.933 3.098 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C2)C1 ZINC001164720760 720290525 /nfs/dbraw/zinc/29/05/25/720290525.db2.gz DGNRBQJJQOYZRB-JOCHJYFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(-c4ccccc4)nnc3Cl)C2)C1 ZINC001164720760 720290535 /nfs/dbraw/zinc/29/05/35/720290535.db2.gz DGNRBQJJQOYZRB-JOCHJYFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C2)C1 ZINC001164720640 720301601 /nfs/dbraw/zinc/30/16/01/720301601.db2.gz BMBIRJBTLVUGPI-QFIPXVFZSA-N 1 2 479.959 3.007 20 0 JGADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(-c4ccncc4)c3)C2)C1 ZINC001164720640 720301609 /nfs/dbraw/zinc/30/16/09/720301609.db2.gz BMBIRJBTLVUGPI-QFIPXVFZSA-N 1 2 479.959 3.007 20 0 JGADLO COC(=O)c1cc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)cnc1Cl ZINC001164721367 720312806 /nfs/dbraw/zinc/31/28/06/720312806.db2.gz GPXAQQNLMVNGGH-MRXNPFEDSA-N 1 2 455.893 3.084 20 0 JGADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCc2c([nH+]cn2C(C)C)[C@@H]1CNC(C)=O ZINC001164722376 720313701 /nfs/dbraw/zinc/31/37/01/720313701.db2.gz KSFTYSIPEYLLFI-INIZCTEOSA-N 1 2 455.893 3.084 20 0 JGADLO COC(=O)c1ccc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)c(Cl)n1 ZINC001164725440 720314280 /nfs/dbraw/zinc/31/42/80/720314280.db2.gz VLNKPUOXBLZVRY-INIZCTEOSA-N 1 2 455.893 3.084 20 0 JGADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)c1 ZINC001164721872 720315480 /nfs/dbraw/zinc/31/54/80/720315480.db2.gz IEXGGXJRPDQYGT-MRXNPFEDSA-N 1 2 455.893 3.084 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(Cl)cc4-c4ccncc4)CC3)C2=O)cs1 ZINC001164824852 720361809 /nfs/dbraw/zinc/36/18/09/720361809.db2.gz ORNVSQVNEOKMCB-UHFFFAOYSA-N 1 2 484.029 3.270 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(Cl)cc4-c4ccncc4)CC3)C2=O)cs1 ZINC001164824852 720361817 /nfs/dbraw/zinc/36/18/17/720361817.db2.gz ORNVSQVNEOKMCB-UHFFFAOYSA-N 1 2 484.029 3.270 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5cc(Cl)ncc54)CC3)C2=O)cs1 ZINC001164825742 720364426 /nfs/dbraw/zinc/36/44/26/720364426.db2.gz ULNOHDGYIIRGIP-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5cc(Cl)ncc54)CC3)C2=O)cs1 ZINC001164825742 720364436 /nfs/dbraw/zinc/36/44/36/720364436.db2.gz ULNOHDGYIIRGIP-UHFFFAOYSA-N 1 2 457.003 3.361 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)nc5cc(F)ccc54)CC3)C2=O)cs1 ZINC001164823995 720364483 /nfs/dbraw/zinc/36/44/83/720364483.db2.gz GKYFVAWACSHSBF-UHFFFAOYSA-N 1 2 454.575 3.155 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)nc5cc(F)ccc54)CC3)C2=O)cs1 ZINC001164823995 720364492 /nfs/dbraw/zinc/36/44/92/720364492.db2.gz GKYFVAWACSHSBF-UHFFFAOYSA-N 1 2 454.575 3.155 20 0 JGADLO CSc1nc2ccccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164820775 720372987 /nfs/dbraw/zinc/37/29/87/720372987.db2.gz UPBMLBAPFJBDHR-UHFFFAOYSA-N 1 2 468.652 3.430 20 0 JGADLO CSc1nc2ccccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164820775 720372993 /nfs/dbraw/zinc/37/29/93/720372993.db2.gz UPBMLBAPFJBDHR-UHFFFAOYSA-N 1 2 468.652 3.430 20 0 JGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(Oc5cccc(F)c5)n4)CC3)C2=O)cs1 ZINC001164819332 720376798 /nfs/dbraw/zinc/37/67/98/720376798.db2.gz CWPAZRRMAIAZKI-UHFFFAOYSA-N 1 2 482.585 3.486 20 0 JGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(Oc5cccc(F)c5)n4)CC3)C2=O)cs1 ZINC001164819332 720376805 /nfs/dbraw/zinc/37/68/05/720376805.db2.gz CWPAZRRMAIAZKI-UHFFFAOYSA-N 1 2 482.585 3.486 20 0 JGADLO COC(=O)C[C@H](c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1)C1CC1 ZINC001164820340 720377719 /nfs/dbraw/zinc/37/77/19/720377719.db2.gz NWPOTHMIQSXUTL-QFIPXVFZSA-N 1 2 497.665 3.216 20 0 JGADLO COC(=O)C[C@H](c1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1)C1CC1 ZINC001164820340 720377723 /nfs/dbraw/zinc/37/77/23/720377723.db2.gz NWPOTHMIQSXUTL-QFIPXVFZSA-N 1 2 497.665 3.216 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc3cc(F)ccc31)C2 ZINC001164829113 720428452 /nfs/dbraw/zinc/42/84/52/720428452.db2.gz ZZTRGTPRTUSATP-KRWDZBQOSA-N 1 2 459.953 3.213 20 0 JGADLO CC(C)c1cc2c(ncnc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)s1 ZINC001164824973 720429050 /nfs/dbraw/zinc/42/90/50/720429050.db2.gz NDFNLNKVWOFIOQ-QGZVFWFLSA-N 1 2 456.616 3.001 20 0 JGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)cc1Cl)C2 ZINC001164822000 720434456 /nfs/dbraw/zinc/43/44/56/720434456.db2.gz BSLQZXBTJJQAGQ-CQSZACIVSA-N 1 2 476.355 3.119 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc3c(Cl)ccnc31)C2 ZINC001164826989 720449598 /nfs/dbraw/zinc/44/95/98/720449598.db2.gz XTMJQUYBQALIHG-HNNXBMFYSA-N 1 2 477.396 3.123 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(F)cc3ccc(Cl)nc31)C2 ZINC001164825677 720452643 /nfs/dbraw/zinc/45/26/43/720452643.db2.gz UFWIHPIMOCOKMP-KRWDZBQOSA-N 1 2 459.953 3.213 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730202 720458017 /nfs/dbraw/zinc/45/80/17/720458017.db2.gz IOGLCQKWNQZCPG-RTWAWAEBSA-N 1 2 453.543 3.270 20 0 JGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730202 720458019 /nfs/dbraw/zinc/45/80/19/720458019.db2.gz IOGLCQKWNQZCPG-RTWAWAEBSA-N 1 2 453.543 3.270 20 0 JGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)C2 ZINC001164831172 720473895 /nfs/dbraw/zinc/47/38/95/720473895.db2.gz NFEYYORWVOPAPA-SFHVURJKSA-N 1 2 486.979 3.122 20 0 JGADLO Cc1cccc2cc(Cl)nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164831844 720479934 /nfs/dbraw/zinc/47/99/34/720479934.db2.gz HGTVIBXRLBJBOX-LJQANCHMSA-N 1 2 455.990 3.383 20 0 JGADLO Cc1ccc(Oc2nc(Cl)ncc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cc1 ZINC001164831449 720480389 /nfs/dbraw/zinc/48/03/89/720480389.db2.gz FVXONSSXUDTISS-IBGZPJMESA-N 1 2 499.015 3.417 20 0 JGADLO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@@H]21)N1CCCCC1 ZINC001164834483 720498510 /nfs/dbraw/zinc/49/85/10/720498510.db2.gz SNOUZQDSRRTJJB-UMFSSWHCSA-N 1 2 475.637 3.279 20 0 JGADLO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@@H]21)N1CCCCC1 ZINC001164834483 720498527 /nfs/dbraw/zinc/49/85/27/720498527.db2.gz SNOUZQDSRRTJJB-UMFSSWHCSA-N 1 2 475.637 3.279 20 0 JGADLO O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164726327 720498994 /nfs/dbraw/zinc/49/89/94/720498994.db2.gz LGTYJEAYJDMRLX-SQHAQQRYSA-N 1 2 470.577 3.054 20 0 JGADLO O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164726327 720498996 /nfs/dbraw/zinc/49/89/96/720498996.db2.gz LGTYJEAYJDMRLX-SQHAQQRYSA-N 1 2 470.577 3.054 20 0 JGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)C2 ZINC001164861354 720895187 /nfs/dbraw/zinc/89/51/87/720895187.db2.gz XOQLNQUDVXIXLB-UHFFFAOYSA-N 1 2 475.862 3.179 20 0 JGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001164855277 720896174 /nfs/dbraw/zinc/89/61/74/720896174.db2.gz AXQSSCQRJMCXMF-UHFFFAOYSA-N 1 2 457.872 3.040 20 0 JGADLO Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)n1 ZINC001164768320 721050382 /nfs/dbraw/zinc/05/03/82/721050382.db2.gz IHFGGTVAZFIPBF-JWQCQUIFSA-N 1 2 454.578 3.118 20 0 JGADLO Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)n1 ZINC001164768320 721050385 /nfs/dbraw/zinc/05/03/85/721050385.db2.gz IHFGGTVAZFIPBF-JWQCQUIFSA-N 1 2 454.578 3.118 20 0 JGADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164771078 721273566 /nfs/dbraw/zinc/27/35/66/721273566.db2.gz ZFUCHNNZPHQWIY-CQSZACIVSA-N 1 2 463.872 3.373 20 0 JGADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)c1 ZINC001164767078 721274357 /nfs/dbraw/zinc/27/43/57/721274357.db2.gz FKYYNNJHQGSBGU-AWEZNQCLSA-N 1 2 463.872 3.373 20 0 JGADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c1 ZINC001164771083 721275149 /nfs/dbraw/zinc/27/51/49/721275149.db2.gz ZFUTVBUMRUILES-CQSZACIVSA-N 1 2 463.872 3.373 20 0 JGADLO c1ccc(C[N@@H+]2CCc3c(ncnc3N(c3ccccn3)c3ccnc([C@@H]4COCCN4)n3)C2)cc1 ZINC001164874846 721329672 /nfs/dbraw/zinc/32/96/72/721329672.db2.gz JVWOPILVDMLSLQ-QHCPKHFHSA-N 1 2 480.576 3.351 20 0 JGADLO c1ccc(C[N@H+]2CCc3c(ncnc3N(c3ccccn3)c3ccnc([C@@H]4COCCN4)n3)C2)cc1 ZINC001164874846 721329676 /nfs/dbraw/zinc/32/96/76/721329676.db2.gz JVWOPILVDMLSLQ-QHCPKHFHSA-N 1 2 480.576 3.351 20 0 JGADLO Cn1cnc2c1[C@@H](COCc1cccnc1)N(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164785163 721440944 /nfs/dbraw/zinc/44/09/44/721440944.db2.gz RSWGZBUZYKIZKB-AREMUKBSSA-N 1 2 481.604 3.484 20 0 JGADLO Cn1cnc2c1[C@@H](COCc1cccnc1)N(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164785163 721440945 /nfs/dbraw/zinc/44/09/45/721440945.db2.gz RSWGZBUZYKIZKB-AREMUKBSSA-N 1 2 481.604 3.484 20 0 JGADLO c1cn2c(n1)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C[C@H](COCc1ccccn1)C2 ZINC001164892153 721468761 /nfs/dbraw/zinc/46/87/61/721468761.db2.gz PKOVGZAUUUCWOW-HSZRJFAPSA-N 1 2 481.604 3.480 20 0 JGADLO c1cn2c(n1)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C[C@H](COCc1ccccn1)C2 ZINC001164892153 721468765 /nfs/dbraw/zinc/46/87/65/721468765.db2.gz PKOVGZAUUUCWOW-HSZRJFAPSA-N 1 2 481.604 3.480 20 0 JGADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)CC2 ZINC001165016978 721766014 /nfs/dbraw/zinc/76/60/14/721766014.db2.gz ZHWFPWDPFRXUHY-UHFFFAOYSA-N 1 2 485.926 3.356 20 0 JGADLO FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911439 721770186 /nfs/dbraw/zinc/77/01/86/721770186.db2.gz GPVZGJKWRJXJRK-LJQANCHMSA-N 1 2 459.324 3.436 20 0 JGADLO FC(F)(c1cc(Cl)nc(Cl)c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911439 721770188 /nfs/dbraw/zinc/77/01/88/721770188.db2.gz GPVZGJKWRJXJRK-LJQANCHMSA-N 1 2 459.324 3.436 20 0 JGADLO O=C(c1ccco1)N1C[C@@H]2CCCN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001165015833 721771290 /nfs/dbraw/zinc/77/12/90/721771290.db2.gz NUDDBVVWBMKAPK-UKILVPOCSA-N 1 2 499.615 3.374 20 0 JGADLO COc1cc2cnc(Cl)cc2cc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915646 721801978 /nfs/dbraw/zinc/80/19/78/721801978.db2.gz XETOMQRPDLIJSC-XMMPIXPASA-N 1 2 454.958 3.400 20 0 JGADLO COc1cc2cnc(Cl)cc2cc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915646 721801982 /nfs/dbraw/zinc/80/19/82/721801982.db2.gz XETOMQRPDLIJSC-XMMPIXPASA-N 1 2 454.958 3.400 20 0 JGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc(Cl)ncc2C(=O)OCC2CC2)CC1 ZINC001164916866 721814884 /nfs/dbraw/zinc/81/48/84/721814884.db2.gz JWWDFPPHAHYFIZ-UHFFFAOYSA-N 1 2 480.947 3.188 20 0 JGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc(Cl)ncc2C(=O)OCC2CC2)CC1 ZINC001164916866 721814885 /nfs/dbraw/zinc/81/48/85/721814885.db2.gz JWWDFPPHAHYFIZ-UHFFFAOYSA-N 1 2 480.947 3.188 20 0 JGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(CN3CCOCC3)nc3sc(C)c(C)c32)CC1 ZINC001164917826 721819481 /nfs/dbraw/zinc/81/94/81/721819481.db2.gz ISNWHEOPBWRBJO-UHFFFAOYSA-N 1 2 481.670 3.086 20 0 JGADLO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164921721 721835296 /nfs/dbraw/zinc/83/52/96/721835296.db2.gz FJJFTPNPMRIENI-CUNXSJBXSA-N 1 2 471.609 3.089 20 0 JGADLO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164921721 721835298 /nfs/dbraw/zinc/83/52/98/721835298.db2.gz FJJFTPNPMRIENI-CUNXSJBXSA-N 1 2 471.609 3.089 20 0 JGADLO Fc1cnc(N2CCOC[C@@]3(CCCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C3)C2)nc1 ZINC001164920015 721845635 /nfs/dbraw/zinc/84/56/35/721845635.db2.gz FKVZBUYRSRUGCG-HHHXNRCGSA-N 1 2 489.599 3.087 20 0 JGADLO Fc1cnc(N2CCOC[C@@]3(CCCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C3)C2)nc1 ZINC001164920015 721845638 /nfs/dbraw/zinc/84/56/38/721845638.db2.gz FKVZBUYRSRUGCG-HHHXNRCGSA-N 1 2 489.599 3.087 20 0 JGADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4C)c2c1C ZINC001164936732 721893320 /nfs/dbraw/zinc/89/33/20/721893320.db2.gz ZWQYBIJRTRPRPA-IAGOWNOFSA-N 1 2 471.627 3.362 20 0 JGADLO CCOC(=O)c1cc2c(N3C[C@@H]4OCC[N@H+](Cc5c(C)noc5C)[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164946475 721949606 /nfs/dbraw/zinc/94/96/06/721949606.db2.gz VTSHISJFPNWRPH-SFTDATJTSA-N 1 2 453.543 3.051 20 0 JGADLO CCOC(=O)c1cc2c(N3C[C@@H]4OCC[N@@H+](Cc5c(C)noc5C)[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164946475 721949608 /nfs/dbraw/zinc/94/96/08/721949608.db2.gz VTSHISJFPNWRPH-SFTDATJTSA-N 1 2 453.543 3.051 20 0 JGADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164946916 721974796 /nfs/dbraw/zinc/97/47/96/721974796.db2.gz MFGGKUXEXJWRBX-UHFFFAOYSA-N 1 2 470.017 3.188 20 0 JGADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164946916 721974798 /nfs/dbraw/zinc/97/47/98/721974798.db2.gz MFGGKUXEXJWRBX-UHFFFAOYSA-N 1 2 470.017 3.188 20 0 JGADLO COC(=O)CCN(c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC001165047749 721988225 /nfs/dbraw/zinc/98/82/25/721988225.db2.gz FGQOEATXEIZLJZ-UHFFFAOYSA-N 1 2 450.583 3.352 20 0 JGADLO CN1c2ccccc2[C@@]2(CCN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)C1=O ZINC001164981565 722162229 /nfs/dbraw/zinc/16/22/29/722162229.db2.gz RHQOSZBVNUBRHB-LJAQVGFWSA-N 1 2 481.600 3.164 20 0 JGADLO O=C(c1ccco1)N1CCC[C@@]2(C1)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CCO2 ZINC001164999766 722249040 /nfs/dbraw/zinc/24/90/40/722249040.db2.gz BPGLCKAXEJUZHK-MHZLTWQESA-N 1 2 473.577 3.140 20 0 JGADLO O=C(c1ccco1)N1CCC[C@@]2(C1)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CCO2 ZINC001164999766 722249043 /nfs/dbraw/zinc/24/90/43/722249043.db2.gz BPGLCKAXEJUZHK-MHZLTWQESA-N 1 2 473.577 3.140 20 0 JGADLO