smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000001486538 561676048 /nfs/dbraw/zinc/67/60/48/561676048.db2.gz LZSMGMMAKBCSRL-WDJVXPEUSA-N 1 0 519.041 4.319 1 0 in-vivo KIAFRO NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2C[NH3+])c(F)c1 ZINC000001493713 561676414 /nfs/dbraw/zinc/67/64/14/561676414.db2.gz TYPXEIGMGZWOGB-UHFFFAOYSA-N 1 0 533.507 4.056 1 0 in-vitro KIAFRO CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2c1C1(CCCC1)C(=O)N2 ZINC000001494875 561676645 /nfs/dbraw/zinc/67/66/45/561676645.db2.gz QXPQGOYPJBKDKD-QFIPXVFZSA-N 1 0 544.652 4.087 1 0 KIAFRO O=c1[nH]c(NCCC[NH2+][C@H]2CCNc3c(Br)cc(Br)cc32)nc2ccsc21 ZINC000001549809 561677416 /nfs/dbraw/zinc/67/74/16/561677416.db2.gz PELMCCPHIUBVDQ-ZDUSSCGKSA-N 1 0 513.259 4.458 1 0 KIAFRO [NH3+]Cc1ccc(Cl)c(NC(=O)CN2CCCC[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)c1 ZINC000001552008 561677542 /nfs/dbraw/zinc/67/75/42/561677542.db2.gz JTDHGVJBDFRZDP-DEOSSOPVSA-N 1 0 505.018 4.215 1 0 KIAFRO Cc1cccc(OS(=O)(=O)c2ccc(COc3ccc(N4C(=N)NC(=[NH2+])NC4(C)C)cc3Cl)cc2)c1 ZINC000001727765 561679323 /nfs/dbraw/zinc/67/93/23/561679323.db2.gz GYASQDFDPCWPPP-UHFFFAOYSA-N 1 0 528.034 4.181 1 0 KIAFRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccc(F)cc3)cc2)c(Cl)c1 ZINC000001727972 561679320 /nfs/dbraw/zinc/67/93/20/561679320.db2.gz GMDITTRZRYCNLY-UHFFFAOYSA-N 1 0 531.997 4.011 1 0 KIAFRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)Oc3cccc(F)c3)cc2)c(Cl)c1 ZINC000001727973 561679466 /nfs/dbraw/zinc/67/94/66/561679466.db2.gz LECIZEZHIHHZGU-UHFFFAOYSA-N 1 0 531.997 4.011 1 0 KIAFRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccccc3F)cc2)c(Cl)c1 ZINC000001727974 561679491 /nfs/dbraw/zinc/67/94/91/561679491.db2.gz YEXAVMOIILOVQZ-UHFFFAOYSA-N 1 0 531.997 4.011 1 0 KIAFRO Cn1cc(C(=O)NCCC[NH+](C)CCCNC(=O)c2cn(C)c3c2Cc2ccccc2-3)c2c1-c1ccccc1C2 ZINC000001865087 561679960 /nfs/dbraw/zinc/67/99/60/561679960.db2.gz LJCPVYVZKXWPCL-UHFFFAOYSA-N 1 0 535.692 4.378 1 0 KIAFRO [NH3+]C1(C(=O)N[C@@H]2CCc3c4ccccc4ccc3N(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000001890657 561680088 /nfs/dbraw/zinc/68/00/88/561680088.db2.gz TYLMNTOWXHCTBY-HHHXNRCGSA-N 1 0 543.631 4.142 1 0 KIAFRO O=c1nc2[nH]c3ccc(OCCCS(=O)(=O)C4CC[NH+](CCC5CCCCC5)CC4)cc3cc-2[nH]1 ZINC000003783593 561682368 /nfs/dbraw/zinc/68/23/68/561682368.db2.gz DYVCBBCEPSYFIR-UHFFFAOYSA-N 1 0 500.665 4.023 1 0 KIAFRO O=c1nc2[nH]c3ccc(OCCCCS(=O)(=O)C4CC[NH+](CC5CCCCC5)CC4)cc3cc-2[nH]1 ZINC000003783607 561682420 /nfs/dbraw/zinc/68/24/20/561682420.db2.gz FEKWWSCNLZKREW-UHFFFAOYSA-N 1 0 500.665 4.023 1 0 KIAFRO CNC(=O)Nc1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)CC(C)(C)[NH3+])C2=O)cc1 ZINC000003802355 561682504 /nfs/dbraw/zinc/68/25/04/561682504.db2.gz AUFFEVJQULJDJJ-RUZDIDTESA-N 1 0 513.642 4.197 1 0 KIAFRO O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCCC[NH+]4CCOCC4)ccc32)CC1 ZINC000003808341 561682706 /nfs/dbraw/zinc/68/27/06/561682706.db2.gz NSPAPURIGJZYJN-UHFFFAOYSA-N 1 0 525.690 4.452 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)[N@H+](C)Cc3ccccn3)c2=O)c1 ZINC000003818817 561683133 /nfs/dbraw/zinc/68/31/33/561683133.db2.gz ACHAWAOSLYJAMP-LJQANCHMSA-N 1 0 520.580 4.236 1 0 KIAFRO Cc1ccc(C(=O)N(CCC[NH3+])[C@@H](c2nn3c(Cl)ccc3c(=O)n2Cc2ccccc2)C2CC2)cc1 ZINC000003819773 561683182 /nfs/dbraw/zinc/68/31/82/561683182.db2.gz XIQQNATXHXOSEI-RUZDIDTESA-N 1 0 504.034 4.448 1 0 KIAFRO Cc1ccc(C(=O)N(CCC[NH3+])[C@H](c2nn3ccc(Cl)c3c(=O)n2Cc2ccccc2)C2CC2)cc1 ZINC000003819776 561683177 /nfs/dbraw/zinc/68/31/77/561683177.db2.gz IKORZPHBTIOSSU-DEOSSOPVSA-N 1 0 504.034 4.448 1 0 KIAFRO CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@@H](NC(=[NH2+])Nc3ccc(O)cc3)C2=O)c1 ZINC000003829014 561683412 /nfs/dbraw/zinc/68/34/12/561683412.db2.gz ZPMXJWFQXUWTDH-XMMPIXPASA-N 1 0 500.603 4.407 1 0 KIAFRO CCN(CC)C(=O)C[NH2+][C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000003831805 561683514 /nfs/dbraw/zinc/68/35/14/561683514.db2.gz PGTZOYPMRUMGFH-LADGPHEKSA-N 1 0 525.521 4.008 1 0 KIAFRO NC(=[NH2+])c1cccc(Cn2c(C(=O)NCc3cccc(I)c3)cc3c2cccc3O)c1 ZINC000003831910 561683529 /nfs/dbraw/zinc/68/35/29/561683529.db2.gz UVACBIWKEUYYBF-UHFFFAOYSA-N 1 0 524.362 4.214 1 0 KIAFRO Cc1c(C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC(C)CC2)c(C)c2c1OC(C)(C)CC2 ZINC000003834176 561683756 /nfs/dbraw/zinc/68/37/56/561683756.db2.gz JTXVBGNJVYUFNK-VWLOTQADSA-N 1 0 554.757 4.148 1 0 KIAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C(=O)OC3CCCCC3)CC2)c1 ZINC000003834179 561683760 /nfs/dbraw/zinc/68/37/60/561683760.db2.gz QUNACXAPDQGEJP-LJAQVGFWSA-N 1 0 590.746 4.128 1 0 KIAFRO COCC[N@H+](C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(-c1ccccn1)c(=O)n2Cc1c(F)cccc1F ZINC000003841597 561683812 /nfs/dbraw/zinc/68/38/12/561683812.db2.gz GAQYSUJKGLPTKB-UHFFFAOYSA-N 1 0 636.681 4.364 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[NH2+]C3CCCC3)c2=O)c1F ZINC000003842301 561683868 /nfs/dbraw/zinc/68/38/68/561683868.db2.gz XTOLERVEHAIVDS-INIZCTEOSA-N 1 0 501.549 4.380 1 0 KIAFRO C[NH2+][C@@H](Cc1ccccc1)Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2F)c1=O ZINC000003842359 561683862 /nfs/dbraw/zinc/68/38/62/561683862.db2.gz NIHBDCADKSUQLK-FQEVSTJZSA-N 1 0 523.555 4.290 1 0 KIAFRO COc1ccc(-n2nc(Cn3ncnn3)c3nc(C)n(-c4ccc(-c5ccccc5C[NH+]5CCCC5)cc4)c(=O)c32)cc1 ZINC000003842918 561683975 /nfs/dbraw/zinc/68/39/75/561683975.db2.gz UURBPAIVFZTTDM-UHFFFAOYSA-N 1 0 573.661 4.186 1 0 KIAFRO COc1ccc(C(=[NH2+])N2CCC(Oc3ccc([C@H](Oc4ccc5c(c4)CN(C(N)=[NH2+])CC5)C(=O)[O-])cc3)CC2)cc1 ZINC000003916073 561684941 /nfs/dbraw/zinc/68/49/41/561684941.db2.gz QLBJQVJUBANQLV-NDEPHWFRSA-N 1 0 557.651 4.020 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)C2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000003916199 561685059 /nfs/dbraw/zinc/68/50/59/561685059.db2.gz HGUBMNSXGREHNN-WJOKGBTCSA-N 1 0 617.878 4.181 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)C2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000003916203 561685005 /nfs/dbraw/zinc/68/50/05/561685005.db2.gz HGUBMNSXGREHNN-HKBQPEDESA-N 1 0 617.878 4.181 1 0 KIAFRO O=C(N[C@H](Cc1ccc2n[nH]cc2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000003918044 561685270 /nfs/dbraw/zinc/68/52/70/561685270.db2.gz UWQDLKXMRMJIJF-WJOKGBTCSA-N 1 0 612.779 4.173 1 0 KIAFRO O=C(N[C@@H](Cc1ccc2n[nH]cc2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000003918046 561685275 /nfs/dbraw/zinc/68/52/75/561685275.db2.gz UWQDLKXMRMJIJF-HKBQPEDESA-N 1 0 612.779 4.173 1 0 KIAFRO Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000003918048 561685228 /nfs/dbraw/zinc/68/52/28/561685228.db2.gz MMNFZCWXLBJTKN-HKBQPEDESA-N 1 0 626.806 4.481 1 0 KIAFRO Cc1nc(-c2cccc(C(=O)NC3CCC(CC[N@@H+]4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)c2)no1 ZINC000003925700 581093280 /nfs/dbraw/zinc/09/32/80/581093280.db2.gz ZHQUFEJLPBTKSM-UHFFFAOYSA-N 1 0 536.698 4.228 1 0 KIAFRO Nc1cc(C[NH+]2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(-c5cc(F)cc(F)c5)c4=O)CC3)CC2)ccn1 ZINC000003928048 561686856 /nfs/dbraw/zinc/68/68/56/561686856.db2.gz PHYADSPDZPCYNR-UHFFFAOYSA-N 1 0 564.612 4.262 1 0 KIAFRO Nc1cc(C[NH+]2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(CCCC(F)(F)F)c4=O)CC3)CC2)ccn1 ZINC000003928050 561686892 /nfs/dbraw/zinc/68/68/92/561686892.db2.gz KODNBJZZDKPFDL-UHFFFAOYSA-N 1 0 562.612 4.338 1 0 KIAFRO Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000003929878 561687256 /nfs/dbraw/zinc/68/72/56/561687256.db2.gz ZXCLCEUUOMEPJU-XPZFQKCBSA-N 1 0 571.809 4.063 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN3CCC([NH+]5CCCCC5)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000003930382 561687260 /nfs/dbraw/zinc/68/72/60/561687260.db2.gz OVENJMWSDFPGOZ-GRGSOZOFSA-N 1 0 578.706 4.497 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000003930425 561687224 /nfs/dbraw/zinc/68/72/24/561687224.db2.gz ZAAHWJMMDZYDIP-HRLYYARCSA-N 1 0 575.794 4.166 1 0 KIAFRO Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000003935707 561688431 /nfs/dbraw/zinc/68/84/31/561688431.db2.gz XPOHMRPODUVLPC-GQSOHLTDSA-N 1 0 535.729 4.198 1 0 KIAFRO CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000003939388 561689046 /nfs/dbraw/zinc/68/90/46/561689046.db2.gz RKIRUNUDHJGEGW-MHZLTWQESA-N 1 0 539.702 4.450 1 0 KIAFRO CN(C)S(=O)(=O)c1ccc2c(c1)N(CCC[NH+]1CCC3(CC1)C(=O)NCN3c1ccccc1)c1ccccc1S2 ZINC000003950846 561690475 /nfs/dbraw/zinc/69/04/75/561690475.db2.gz ODLVSXJQMRFBPK-UHFFFAOYSA-N 1 0 577.776 4.358 1 0 KIAFRO CC(=O)NC[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000003952537 561690699 /nfs/dbraw/zinc/69/06/99/561690699.db2.gz WOERYDDSYYVQDM-REDGVPLNSA-N 1 0 542.724 4.099 1 0 KIAFRO CN(C(=O)/C=C/CC(C)(C)[NH3+])[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000003952539 561690661 /nfs/dbraw/zinc/69/06/61/561690661.db2.gz RZBXAFOFICUSBO-IHFRBTPQSA-N 1 0 598.788 4.258 1 0 KIAFRO CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(C(C)(C)C)c(OCC(=O)OC)c1)C(C)C ZINC000003960683 561691174 /nfs/dbraw/zinc/69/11/74/561691174.db2.gz PAHLRMVTECRACY-OQYVESBJSA-N 1 0 506.728 4.371 1 0 KIAFRO CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(C(C)(C)C)c(OCS(C)(=O)=O)c1)C(C)C ZINC000003960685 561691112 /nfs/dbraw/zinc/69/11/12/561691112.db2.gz YMPLTFCIOBBXOA-OQYVESBJSA-N 1 0 526.784 4.201 1 0 KIAFRO COCC1=C(C(=O)OC)[C@@H](c2cc(F)c(F)c(F)c2)N(C(=O)N2CCC([NH+]3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 ZINC000003960909 561691149 /nfs/dbraw/zinc/69/11/49/561691149.db2.gz IAPFEDPQSKFUSX-MUUNZHRXSA-N 1 0 658.674 4.035 1 0 KIAFRO CCN(CCC[NH+]1CCC2(CC1)OCc1ccccc12)C(=O)[C@@H](c1ccc(F)c(F)c1)N1CCCC1=O ZINC000003963248 561691323 /nfs/dbraw/zinc/69/13/23/561691323.db2.gz YFPQFEDZZVHPSB-HHHXNRCGSA-N 1 0 511.613 4.388 1 0 KIAFRO CC(C)CCc1nc(-c2ccc(OCCC[N@@H+]3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000003964454 561691366 /nfs/dbraw/zinc/69/13/66/561691366.db2.gz HUEYSTDACLDSKX-OAQYLSRUSA-N 1 0 555.651 4.179 1 0 KIAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2ccccc2)c1 ZINC000003965952 561691554 /nfs/dbraw/zinc/69/15/54/561691554.db2.gz HVYYWXORVBMLDG-URLMMPGGSA-N 1 0 501.671 4.441 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC3(CC2)OCc2ccccc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000003966036 561691669 /nfs/dbraw/zinc/69/16/69/561691669.db2.gz MVUYRJDAYOGRLE-RUZDIDTESA-N 1 0 554.594 4.099 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Cc2cc(F)cc(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000003974657 561691775 /nfs/dbraw/zinc/69/17/75/561691775.db2.gz LOMHJRAARMWEBF-BKWREGOESA-N 1 0 667.798 4.471 1 0 KIAFRO COc1cc(NC(=O)N[C@@H](C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)[C@@H](C)O)cc(OC)c1OC ZINC000003976124 560191864 /nfs/dbraw/zinc/19/18/64/560191864.db2.gz JYDVJNOBDUOZJC-VGSWGCGISA-N 1 0 506.043 4.191 1 0 in-vitro KIAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)c2ccccc2)c(C)c1 ZINC000003976781 561691990 /nfs/dbraw/zinc/69/19/90/561691990.db2.gz ZBIJSTZDZCPBBF-AZGAKELHSA-N 1 0 513.560 4.060 1 0 KIAFRO CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]C5CCOCC5)C4)C3)s2)cc1 ZINC000003987456 561693001 /nfs/dbraw/zinc/69/30/01/561693001.db2.gz GCOHNKLHHSQKLD-RPWUZVMVSA-N 1 0 510.704 4.087 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc(N(c2ccccc2)S(C)(=O)=O)c1 ZINC000003987493 561693010 /nfs/dbraw/zinc/69/30/10/561693010.db2.gz SMMANAWVXZZNER-DZMJNENTSA-N 1 0 649.858 4.345 1 0 in-vitro KIAFRO O=Cc1ccc(C(=O)Nc2cccc3c4c([nH]c32)[C@@H]2Oc3c5c(ccc3O)C[C@H]3[N@@H+](CC6CC6)CC[C@]52[C@@]3(O)C4)cc1C=O ZINC000003994906 561693668 /nfs/dbraw/zinc/69/36/68/561693668.db2.gz QWQJCNFKUGDCGU-TXDOIKDBSA-N 1 0 589.648 4.450 1 0 KIAFRO CC(C)C[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1c1ccccc1)[NH+](C)C ZINC000004098488 560195749 /nfs/dbraw/zinc/19/57/49/560195749.db2.gz NAMLDTWANUOXLT-GQIVPORTSA-N 1 0 568.718 4.096 1 0 in-vitro KIAFRO CC(C)[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1c1ccccc1)[NH+](C)C ZINC000004098493 560195793 /nfs/dbraw/zinc/19/57/93/560195793.db2.gz BDHCXPWIDHVEQN-LKTJRWEVSA-N 1 0 593.728 4.187 1 0 in-vitro KIAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6cccc(F)c6N)CC5)CC4)OCCO3)cc2)cc1 ZINC000004387268 561694773 /nfs/dbraw/zinc/69/47/73/561694773.db2.gz SZGVXADXCNWOJT-UHFFFAOYSA-N 1 0 623.747 4.466 1 0 KIAFRO COC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 ZINC000004426040 561695031 /nfs/dbraw/zinc/69/50/31/561695031.db2.gz ATQJIONCSXFZHD-HHHXNRCGSA-N 1 0 599.798 4.141 1 0 KIAFRO O=c1[nH]c(NCCC[NH2+][C@@H]2CCNc3c(Br)cc(Br)cc32)nc2ccsc21 ZINC000004822075 561695578 /nfs/dbraw/zinc/69/55/78/561695578.db2.gz PELMCCPHIUBVDQ-CYBMUJFWSA-N 1 0 513.259 4.458 1 0 KIAFRO CCN(CC)C(=O)N1CN(c2ccccc2)C2(CC[NH+](CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O ZINC000005741642 561698049 /nfs/dbraw/zinc/69/80/49/561698049.db2.gz QTPOYHWOQPIMFA-UHFFFAOYSA-N 1 0 538.664 4.408 1 0 KIAFRO COc1cc([C@H]2c3cc4c(cc3[C@@H](NC3CC[NH+](Cc5ccccc5)CC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000005842091 561699304 /nfs/dbraw/zinc/69/93/04/561699304.db2.gz GQMFUALQPLOONU-CTZUUEIXSA-N 1 0 572.658 4.368 1 0 KIAFRO CCCCC(=O)OC[n+]1cccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)c1 ZINC000005852729 561699627 /nfs/dbraw/zinc/69/96/27/561699627.db2.gz LWXSRMDOZLURPN-UHFFFAOYSA-O 1 0 529.658 4.349 1 0 KIAFRO CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc[n+](COC(=O)C(C)(C)C)c2)n2c1CCC2 ZINC000005852756 561699705 /nfs/dbraw/zinc/69/97/05/561699705.db2.gz JVSQPJPMJFBQFI-UHFFFAOYSA-O 1 0 529.658 4.205 1 0 KIAFRO CC(C)CC(=O)OC[n+]1cccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)c1 ZINC000005852758 561699701 /nfs/dbraw/zinc/69/97/01/561699701.db2.gz MYHLPDAMRONIDW-UHFFFAOYSA-O 1 0 529.658 4.205 1 0 KIAFRO CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc[n+](COC(=O)Cc3ccccc3)c2)n2c1CCC2 ZINC000005852770 561699718 /nfs/dbraw/zinc/69/97/18/561699718.db2.gz ZDIBTKVLUXKFSL-UHFFFAOYSA-O 1 0 563.675 4.401 1 0 KIAFRO CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2cc[n+](COC(=O)Cc3ccccc3)cc2)n2c1CCC2 ZINC000005852776 561699691 /nfs/dbraw/zinc/69/96/91/561699691.db2.gz BDYKVRIHIPSAMC-UHFFFAOYSA-O 1 0 563.675 4.401 1 0 KIAFRO CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2cc[n+](COC(=O)C(C)(C)C)cc2)n2c1CCC2 ZINC000005852790 561699688 /nfs/dbraw/zinc/69/96/88/561699688.db2.gz WLWQWDQDPVCFRL-UHFFFAOYSA-O 1 0 529.658 4.205 1 0 KIAFRO CC(C)CC(=O)OC[n+]1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)cc1 ZINC000005852796 561699687 /nfs/dbraw/zinc/69/96/87/561699687.db2.gz IVYMLJYOTULIFR-UHFFFAOYSA-O 1 0 529.658 4.205 1 0 KIAFRO CCCCC(=O)OC[n+]1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)cc1 ZINC000005852817 561699720 /nfs/dbraw/zinc/69/97/20/561699720.db2.gz HGIJAJHEUVGJEP-UHFFFAOYSA-O 1 0 529.658 4.349 1 0 KIAFRO CCC[C@H](O)[C@@H](CNc1cc(NC(C)=O)nc(NC(C)=O)n1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000006003876 561701201 /nfs/dbraw/zinc/70/12/01/561701201.db2.gz NGFMYTICAGJPHK-RPBOFIJWSA-N 1 0 504.635 4.037 1 0 KIAFRO C[C@H](Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000006718001 561703077 /nfs/dbraw/zinc/70/30/77/561703077.db2.gz AOJZKEWJJYTGIX-QUGAMOGWSA-N 1 0 517.453 4.304 1 0 KIAFRO C[C@H](Cc1cccc(CC(=O)NCc2cc(C(F)(F)F)ccc2F)c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000006718007 561703091 /nfs/dbraw/zinc/70/30/91/561703091.db2.gz SKXGMLMLOXYJKI-QUGAMOGWSA-N 1 0 534.550 4.156 1 0 KIAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)[C@H](OC(=O)O2)[C@H](C)[C@H]2OC(=O)O[C@@]21C ZINC000009574856 561709096 /nfs/dbraw/zinc/70/90/96/561709096.db2.gz WYAPTWVYGYIEHX-PKHCRVBXSA-N 1 0 748.867 4.205 1 0 KIAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000009575051 561709139 /nfs/dbraw/zinc/70/91/39/561709139.db2.gz PVWVVQOAMWWNAR-XQEMECBCSA-N 1 0 740.935 4.355 1 0 KIAFRO C[C@@H](NC(=O)c1cc(-c2nnc([C@](C)([NH3+])Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000010339564 561709299 /nfs/dbraw/zinc/70/92/99/561709299.db2.gz QEJSJQVKMSAHHX-KWMCUTETSA-N 1 0 551.644 4.179 1 0 in-vitro KIAFRO Cn1c2c(nc1C(F)(F)F)[C@H](Cc1ccccc1)N(C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F)CC2 ZINC000011687785 561709889 /nfs/dbraw/zinc/70/98/89/561709889.db2.gz WPHMUXWMCFNMCS-IERDGZPVSA-N 1 0 510.482 4.485 1 0 KIAFRO Cn1c2c(nc1C(F)(F)F)[C@@H](Cc1ccccc1)N(C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F)CC2 ZINC000011687786 561709935 /nfs/dbraw/zinc/70/99/35/561709935.db2.gz WPHMUXWMCFNMCS-IIBYNOLFSA-N 1 0 510.482 4.485 1 0 KIAFRO C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nc4ccccc4[nH]3)CN2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000011785239 561709877 /nfs/dbraw/zinc/70/98/77/561709877.db2.gz ZYWSQMCIHBIHHR-OFNKIYASSA-N 1 0 533.620 4.361 1 0 KIAFRO O=C(NCC[N@@H+](CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1)c1ccccc1 ZINC000013438603 561712226 /nfs/dbraw/zinc/71/22/26/561712226.db2.gz RVFWCLJRIRUOIQ-SSEXGKCCSA-N 1 0 512.698 4.194 1 0 KIAFRO O=C(NCC[N@@H+](CCCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1)c1ccccc1 ZINC000013438606 561712210 /nfs/dbraw/zinc/71/22/10/561712210.db2.gz RVFWCLJRIRUOIQ-PMERELPUSA-N 1 0 512.698 4.194 1 0 KIAFRO COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439483 561712368 /nfs/dbraw/zinc/71/23/68/561712368.db2.gz BRQNJSZAEBIZIO-AREMUKBSSA-N 1 0 507.700 4.128 1 0 KIAFRO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439487 561712388 /nfs/dbraw/zinc/71/23/88/561712388.db2.gz BRQNJSZAEBIZIO-SANMLTNESA-N 1 0 507.700 4.128 1 0 KIAFRO COc1ccc2c(c1)C[C@H](C[NH2+]C1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439490 561712331 /nfs/dbraw/zinc/71/23/31/561712331.db2.gz DEJOSPKGOMVPEP-HSZRJFAPSA-N 1 0 521.727 4.376 1 0 KIAFRO COc1ccc2c(c1)C[C@@H](C[NH2+]C1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439495 561712361 /nfs/dbraw/zinc/71/23/61/561712361.db2.gz DEJOSPKGOMVPEP-QHCPKHFHSA-N 1 0 521.727 4.376 1 0 KIAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccc(S(N)(=O)=O)cc4)CC3)CC2)cc1 ZINC000013440396 561712474 /nfs/dbraw/zinc/71/24/74/561712474.db2.gz QAJIIXYFSKAGCA-UHFFFAOYSA-N 1 0 515.745 4.394 1 0 KIAFRO CCSC/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(N)=[NH2+])c1 ZINC000013442385 561712873 /nfs/dbraw/zinc/71/28/73/561712873.db2.gz CBVYJBJDUXCSPE-XTQSDGFTSA-N 1 0 512.632 4.357 1 0 KIAFRO NC(=[NH2+])c1cccc(/C(=C(/F)C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C(F)(F)F)c1 ZINC000013442390 561712860 /nfs/dbraw/zinc/71/28/60/561712860.db2.gz PUTBWSDXYRZSDL-VXPUYCOJSA-N 1 0 506.481 4.167 1 0 KIAFRO C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1Cl)c1ccc(F)c(C(N)=[NH2+])c1 ZINC000013442400 561712868 /nfs/dbraw/zinc/71/28/68/561712868.db2.gz RTEUQXCVRROFGK-CIAFOILYSA-N 1 0 504.946 4.417 1 0 KIAFRO Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cc3ccccc3cc2C[NH3+])n1 ZINC000013442880 561712861 /nfs/dbraw/zinc/71/28/61/561712861.db2.gz BPZCCWRPDHSWCL-UHFFFAOYSA-N 1 0 511.607 4.359 1 0 KIAFRO NC(=[NH2+])c1cccc(Oc2ccc(F)cc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000013442918 561712962 /nfs/dbraw/zinc/71/29/62/561712962.db2.gz OGQRZBLGQNDTOI-UHFFFAOYSA-N 1 0 504.543 4.469 1 0 KIAFRO COc1ccc(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(Oc2cccc(C(N)=[NH2+])c2)c1 ZINC000013442928 561712940 /nfs/dbraw/zinc/71/29/40/561712940.db2.gz JUQVVUSVHGHPDA-UHFFFAOYSA-N 1 0 516.579 4.338 1 0 KIAFRO NC(=[NH2+])c1cccc(Oc2cc(O)ccc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000013442931 561713016 /nfs/dbraw/zinc/71/30/16/561713016.db2.gz QINMQXZJWXQDLT-UHFFFAOYSA-N 1 0 502.552 4.035 1 0 KIAFRO CNc1ccc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(Oc2cccc(C(N)=[NH2+])c2)c1 ZINC000013442946 561712979 /nfs/dbraw/zinc/71/29/79/561712979.db2.gz NAXYVUMUHCNTFD-UHFFFAOYSA-N 1 0 515.595 4.371 1 0 KIAFRO O=C(NCCC[N@@H+]1CC[C@@H]2[C@H](C1)c1cccc3c1N2CC3)Nc1cccc(I)c1 ZINC000013443443 561712942 /nfs/dbraw/zinc/71/29/42/561712942.db2.gz CEMHMXWUBPDAQL-NHCUHLMSSA-N 1 0 502.400 4.037 1 0 KIAFRO O=C(NCCC[N@@H+]1CC[C@@H]2[C@H](C1)c1cccc3c1N2CC3)Nc1ccc(I)cc1 ZINC000013443446 561712995 /nfs/dbraw/zinc/71/29/95/561712995.db2.gz ZHFUJRBAYSOUBG-NHCUHLMSSA-N 1 0 502.400 4.037 1 0 KIAFRO CCCC[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CC[N@@H+]1CCCNC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000013443687 561713005 /nfs/dbraw/zinc/71/30/05/561713005.db2.gz BAAFLUWVDPBRCL-MVNQZMKCSA-N 1 0 519.694 4.263 1 0 KIAFRO [NH3+][C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 ZINC000013444817 561713056 /nfs/dbraw/zinc/71/30/56/561713056.db2.gz IYDTWLIGTRMAPG-SSEXGKCCSA-N 1 0 511.666 4.429 1 0 KIAFRO CC[NH+](CC)CCNC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1 ZINC000013445451 561713076 /nfs/dbraw/zinc/71/30/76/561713076.db2.gz SXQLWNOERMLQGM-VBKFSLOCSA-N 1 0 511.989 4.214 1 0 KIAFRO CC[NH+](CC)CCNC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(Cl)cc4F)c32)[nH]1 ZINC000013445466 561713104 /nfs/dbraw/zinc/71/31/04/561713104.db2.gz VYCCLXYWLSXHKT-VBKFSLOCSA-N 1 0 511.989 4.214 1 0 KIAFRO COc1ccc([C@@H]2Cc3cc(OCc4ccccc4)ccc3N(CC[NH+](C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000013450863 561713371 /nfs/dbraw/zinc/71/33/71/561713371.db2.gz HQSDJAVKTGISTO-LMSSTIIKSA-N 1 0 502.611 4.440 1 0 KIAFRO Cc1ccc(S(=O)(=O)NCCc2ccc(NC[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1 ZINC000013472208 561714218 /nfs/dbraw/zinc/71/42/18/561714218.db2.gz QZSYRRXEBNSEIL-IBVKSMDESA-N 1 0 502.080 4.293 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCCCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1 ZINC000013475433 561714602 /nfs/dbraw/zinc/71/46/02/561714602.db2.gz NIQPANALRLHZSV-UHFFFAOYSA-N 1 0 500.647 4.364 1 0 KIAFRO COc1cc2c(cc1OCCC[NH+](C)C)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000013475692 561714667 /nfs/dbraw/zinc/71/46/67/561714667.db2.gz XMCHTTMWEWKGDC-UHFFFAOYSA-N 1 0 522.650 4.110 1 0 KIAFRO CN(C[C@@H](CC[NH+]1CCC(NC(=O)NCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013479396 561715032 /nfs/dbraw/zinc/71/50/32/561715032.db2.gz AARBZINJGYTIMT-HHHXNRCGSA-N 1 0 534.726 4.445 1 0 KIAFRO CN(C[C@H](CC[NH+]1CCC(NC(=O)NCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013479397 561714982 /nfs/dbraw/zinc/71/49/82/561714982.db2.gz AARBZINJGYTIMT-MHZLTWQESA-N 1 0 534.726 4.445 1 0 KIAFRO CC(=C(F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1Cl)c1cccc(C(=[NH2+])NO)c1 ZINC000013487207 561715174 /nfs/dbraw/zinc/71/51/74/561715174.db2.gz PYAIGCXCMBYOKF-FYJGNVAPSA-N 1 0 502.955 4.298 1 0 KIAFRO CCN(c1ncccn1)C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000013487347 561715155 /nfs/dbraw/zinc/71/51/55/561715155.db2.gz LUPZAUDHSLGRIO-HUROMRQRSA-N 1 0 509.670 4.265 1 0 KIAFRO CCOc1c(Br)cc(S(C)(=O)=O)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487778 561715271 /nfs/dbraw/zinc/71/52/71/561715271.db2.gz QIUUTRLVASLLAJ-UHFFFAOYSA-N 1 0 508.438 4.097 1 0 KIAFRO CCOc1c(I)cc(CO)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487780 561715264 /nfs/dbraw/zinc/71/52/64/561715264.db2.gz VKIJAUFMRAGGCB-UHFFFAOYSA-N 1 0 507.372 4.028 1 0 KIAFRO CCOc1c(CO)cc(I)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487790 561715217 /nfs/dbraw/zinc/71/52/17/561715217.db2.gz FEBUHGOKADCTKT-UHFFFAOYSA-N 1 0 507.372 4.028 1 0 KIAFRO O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCC[N@@H+]1Cc1ccoc1)Nc1ccccc1 ZINC000013489682 561715965 /nfs/dbraw/zinc/71/59/65/561715965.db2.gz APCODMORPNOUGW-FTJBHMTQSA-N 1 0 503.672 4.367 1 0 KIAFRO O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCC[N@@H+]1Cc1ccccn1)Nc1ccccc1 ZINC000013489684 561716002 /nfs/dbraw/zinc/71/60/02/561716002.db2.gz KIUTVGMIVWTAFY-SXOMAYOGSA-N 1 0 514.699 4.169 1 0 KIAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1)C(=O)c1nccs1 ZINC000013491429 561716267 /nfs/dbraw/zinc/71/62/67/561716267.db2.gz DRWKCOHPLMONFZ-DQEYMECFSA-N 1 0 518.683 4.153 1 0 KIAFRO CN(CCCc1ccc(Cl)cc1Cl)c1nc(NCCc2ccc(O)cc2)nc(N2CC[NH2+]CC2)n1 ZINC000013492573 561716430 /nfs/dbraw/zinc/71/64/30/561716430.db2.gz ZDPFRXYHHTUZDV-UHFFFAOYSA-N 1 0 516.477 4.017 1 0 KIAFRO C[C@@H]1CN(c2nc(NCCc3ccc(O)cc3)nc(N(C)CCCc3ccc(Cl)cc3)n2)C[C@H](C)[NH2+]1 ZINC000013492577 561716414 /nfs/dbraw/zinc/71/64/14/561716414.db2.gz CKXPOIJBYUMJIU-BGYRXZFFSA-N 1 0 510.086 4.141 1 0 KIAFRO CCn1cc(-c2ccc3c(c2)c(C2CC[NH+](CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 ZINC000013492999 561716511 /nfs/dbraw/zinc/71/65/11/561716511.db2.gz CJGRIFQTJRPEFT-UHFFFAOYSA-N 1 0 501.610 4.253 1 0 KIAFRO CCn1ncc(-c2ccc3c(c2)c(C2CC[NH+](CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 ZINC000013493001 561716541 /nfs/dbraw/zinc/71/65/41/561716541.db2.gz NEBSYJAENXRLFM-UHFFFAOYSA-N 1 0 501.610 4.253 1 0 KIAFRO COc1ccc(OC)c(N(C(=O)C2=CCC[C@@H]2C(=O)NCc2ccc(C(N)=[NH2+])cc2)C2CCCCC2)c1 ZINC000013493934 561716612 /nfs/dbraw/zinc/71/66/12/561716612.db2.gz XSKUIRFHGKBSIY-QHCPKHFHSA-N 1 0 504.631 4.306 1 0 KIAFRO COc1ccc(OC)c(N(C(=O)C2=CCC[C@H]2C(=O)NCc2ccc(C(N)=[NH2+])cc2)C2CCCCC2)c1 ZINC000013493935 561716677 /nfs/dbraw/zinc/71/66/77/561716677.db2.gz XSKUIRFHGKBSIY-HSZRJFAPSA-N 1 0 504.631 4.306 1 0 KIAFRO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OCCCc5ccccc5)[C@@H](C2)[N@H+](C[C@@H]2CCCO2)CC[C@]314 ZINC000013518082 561716789 /nfs/dbraw/zinc/71/67/89/561716789.db2.gz JYPQIBMWBJBMFO-BHYHCEIKSA-N 1 0 503.639 4.255 1 0 KIAFRO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OCCCc5ccccc5)[C@@H](C2)[N@H+](C[C@H]2CCCO2)CC[C@]314 ZINC000013518084 561716749 /nfs/dbraw/zinc/71/67/49/561716749.db2.gz JYPQIBMWBJBMFO-ZFXUWXHMSA-N 1 0 503.639 4.255 1 0 KIAFRO CCc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+](C)CCc3ccccn3)c2=O)c1 ZINC000013519324 561716905 /nfs/dbraw/zinc/71/69/05/561716905.db2.gz LMWQYILSIDBZRE-UHFFFAOYSA-N 1 0 518.608 4.444 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2ccc(I)cc2)CC1 ZINC000013526272 561717268 /nfs/dbraw/zinc/71/72/68/561717268.db2.gz MPTLULQFGUQHHY-JLHYYAGUSA-N 1 0 519.427 4.032 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2cccc(I)c2)CC1 ZINC000013526310 561717280 /nfs/dbraw/zinc/71/72/80/561717280.db2.gz GJXPGIMBBKOOPF-VAWYXSNFSA-N 1 0 519.427 4.032 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2ccccc2I)CC1 ZINC000013526326 561717287 /nfs/dbraw/zinc/71/72/87/561717287.db2.gz HDDXRHHMVMEBSC-OUKQBFOZSA-N 1 0 519.427 4.032 1 0 KIAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCCc3ccccc3)nc(Cl)c2-c2ccccc2)cc1 ZINC000013526933 561717306 /nfs/dbraw/zinc/71/73/06/561717306.db2.gz QCUQUAMTEHYFKZ-UHFFFAOYSA-N 1 0 529.044 4.209 1 0 KIAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(SCc3ccccc3)nc(Cl)c2-c2ccccc2)cc1 ZINC000013526947 561717328 /nfs/dbraw/zinc/71/73/28/561717328.db2.gz XREJSNOSARMXDA-UHFFFAOYSA-N 1 0 518.042 4.456 1 0 KIAFRO Cc1ccccc1-c1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000013527088 561717285 /nfs/dbraw/zinc/71/72/85/561717285.db2.gz RHBRGFIBTGXEJF-UHFFFAOYSA-N 1 0 529.044 4.127 1 0 KIAFRO Cc1cccc(-c2c(Cl)nc(NCCc3ccccc3)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1 ZINC000013527091 561717301 /nfs/dbraw/zinc/71/73/01/561717301.db2.gz NBZQAEPMICNABH-UHFFFAOYSA-N 1 0 529.044 4.127 1 0 KIAFRO Cc1ccc(-c2c(Cl)nc(NCCc3ccccc3)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000013527095 561717381 /nfs/dbraw/zinc/71/73/81/561717381.db2.gz PPYTVFCENIOFOW-UHFFFAOYSA-N 1 0 529.044 4.127 1 0 KIAFRO CCCCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(C(N)=[NH2+])c2)n1 ZINC000013529526 561717619 /nfs/dbraw/zinc/71/76/19/561717619.db2.gz BYYVENMYQTVJGL-UHFFFAOYSA-N 1 0 516.627 4.066 1 0 KIAFRO COc1ccc(C(=O)N[C@@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2Br)cc1 ZINC000013534828 561717847 /nfs/dbraw/zinc/71/78/47/561717847.db2.gz SXCXDUPHHNAQCB-HSZRJFAPSA-N 1 0 502.453 4.165 1 0 KIAFRO COc1ccc(C(=O)N[C@@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2OC(F)(F)F)cc1 ZINC000013534847 561717919 /nfs/dbraw/zinc/71/79/19/561717919.db2.gz SEPHIJBWFIYMAM-HSZRJFAPSA-N 1 0 507.553 4.302 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)[NH2+]Cc3ccccc3)c2=O)c1 ZINC000013553279 561718241 /nfs/dbraw/zinc/71/82/41/561718241.db2.gz IMSNMXOGTCRJBF-LJQANCHMSA-N 1 0 505.565 4.499 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[NH2+]Cc3ccccc3)c2=O)c1 ZINC000013553280 561718318 /nfs/dbraw/zinc/71/83/18/561718318.db2.gz IMSNMXOGTCRJBF-IBGZPJMESA-N 1 0 505.565 4.499 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)[NH2+]CCCOCC(C)C)c2=O)c1 ZINC000013553281 561718344 /nfs/dbraw/zinc/71/83/44/561718344.db2.gz HZTMVHRHUISCDR-HXUWFJFHSA-N 1 0 529.628 4.361 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[NH2+]CCCOCC(C)C)c2=O)c1 ZINC000013553282 561718244 /nfs/dbraw/zinc/71/82/44/561718244.db2.gz HZTMVHRHUISCDR-FQEVSTJZSA-N 1 0 529.628 4.361 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[N@H+](C)Cc3ccccn3)c2=O)c1 ZINC000013553283 561718296 /nfs/dbraw/zinc/71/82/96/561718296.db2.gz ACHAWAOSLYJAMP-IBGZPJMESA-N 1 0 520.580 4.236 1 0 KIAFRO CC(=O)NCc1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)CC(C)(C)[NH3+])C2=O)cc1 ZINC000013555354 561718544 /nfs/dbraw/zinc/71/85/44/561718544.db2.gz YDPIBYWTSCMBTP-HHHXNRCGSA-N 1 0 512.654 4.081 1 0 KIAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1cccc2ccccc21 ZINC000013557193 561718813 /nfs/dbraw/zinc/71/88/13/561718813.db2.gz PIEVPYPBMBBZQU-UHFFFAOYSA-N 1 0 525.653 4.228 1 0 KIAFRO COc1cc2c(cc1OC)C(=O)N([C@@H]1CCC[N@H+](CCCOc3ccc(Br)cc3)C1)CC2 ZINC000013558936 561719342 /nfs/dbraw/zinc/71/93/42/561719342.db2.gz QJOFOCOELQJHKZ-HXUWFJFHSA-N 1 0 503.437 4.398 1 0 KIAFRO COc1cc2c(cc1OC)C(=O)N([C@H]1CCC[N@H+](CCCOc3ccc(Br)cc3)C1)CC2 ZINC000013558937 561719500 /nfs/dbraw/zinc/71/95/00/561719500.db2.gz QJOFOCOELQJHKZ-FQEVSTJZSA-N 1 0 503.437 4.398 1 0 KIAFRO Cc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+](C)CCc3ccccn3)c2=O)cc1 ZINC000013559582 561719507 /nfs/dbraw/zinc/71/95/07/561719507.db2.gz OIHWKFSKUUHXKM-UHFFFAOYSA-N 1 0 504.581 4.190 1 0 KIAFRO Cc1c(-c2cccc(F)c2)c(=O)n(CC[N@@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013559586 561719432 /nfs/dbraw/zinc/71/94/32/561719432.db2.gz FZQYYCQNCZUSQP-UHFFFAOYSA-N 1 0 508.544 4.021 1 0 KIAFRO Cc1c(-c2ccccc2F)c(=O)n(CC[N@@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013559587 561719441 /nfs/dbraw/zinc/71/94/41/561719441.db2.gz JEDCMEAMVGULED-UHFFFAOYSA-N 1 0 508.544 4.021 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)[NH2+]Cc3ccccn3)c2=O)c1F ZINC000013559590 561719498 /nfs/dbraw/zinc/71/94/98/561719498.db2.gz QEHGOBQYTLEROX-QGZVFWFLSA-N 1 0 524.543 4.033 1 0 KIAFRO Cn1c2cc[nH+]c(NCc3ccccn3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 ZINC000013559675 561719562 /nfs/dbraw/zinc/71/95/62/561719562.db2.gz OCIIEYOWWOUETK-UHFFFAOYSA-N 1 0 514.584 4.167 1 0 KIAFRO COc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Br)cc5)cc4C[C@@]4(O)[C@@H](C2)[N@H+](C)CC[C@]314 ZINC000013559707 561719588 /nfs/dbraw/zinc/71/95/88/561719588.db2.gz RLITVHVDMDWVTR-NVSKSXHLSA-N 1 0 505.412 4.439 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H]([NH3+])C3CCCCC3)c2=O)c1F ZINC000013580583 561719962 /nfs/dbraw/zinc/71/99/62/561719962.db2.gz PDUASMILNZLWQW-QFIPXVFZSA-N 1 0 501.549 4.367 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H]([NH3+])C3CCCCC3)c2=O)c1F ZINC000013580584 561719960 /nfs/dbraw/zinc/71/99/60/561719960.db2.gz PDUASMILNZLWQW-JOCHJYFZSA-N 1 0 501.549 4.367 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H]([NH3+])Cc3ccccc3)c2=O)c1F ZINC000013580592 561719944 /nfs/dbraw/zinc/71/99/44/561719944.db2.gz VEZUKTIPDDOQAW-LJQANCHMSA-N 1 0 509.528 4.030 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H]([NH3+])Cc3ccccc3)c2=O)c1F ZINC000013580594 561719931 /nfs/dbraw/zinc/71/99/31/561719931.db2.gz VEZUKTIPDDOQAW-IBGZPJMESA-N 1 0 509.528 4.030 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H]([NH3+])CCc3ccccc3)c2=O)c1F ZINC000013580596 561719928 /nfs/dbraw/zinc/71/99/28/561719928.db2.gz DIYJIVUMGPNOJA-FQEVSTJZSA-N 1 0 523.555 4.420 1 0 KIAFRO CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H]([NH2+]C)C(C)(C)c1ccccc1)C(C)(C)C ZINC000013583099 561720160 /nfs/dbraw/zinc/72/01/60/561720160.db2.gz BLJKLFWRIJTRKB-BHQPJMTKSA-N 1 0 501.712 4.076 1 0 KIAFRO CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(NC(=O)C[NH3+])cc3)[nH]c(=O)c12 ZINC000013585214 561720388 /nfs/dbraw/zinc/72/03/88/561720388.db2.gz PYEYLKGWDVDOAS-UHFFFAOYSA-N 1 0 505.793 4.119 1 0 KIAFRO CS(=O)(=O)CC[NH2+]CCCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000013588399 561721027 /nfs/dbraw/zinc/72/10/27/561721027.db2.gz PFBNCPMUCGZALP-UHFFFAOYSA-N 1 0 506.628 4.356 1 0 KIAFRO COc1cc2c(cc1OC)C[N@H+](CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2 ZINC000013588503 561720980 /nfs/dbraw/zinc/72/09/80/561720980.db2.gz UNYNHWPKQAKANT-UHFFFAOYSA-N 1 0 507.425 4.052 1 0 KIAFRO [NH3+][C@@H]1CCCc2ccc(NC(=O)CN3CCCC[C@@H](NC(=O)c4ccc(-c5ccccc5)cc4)C3=O)cc21 ZINC000013588657 561721241 /nfs/dbraw/zinc/72/12/41/561721241.db2.gz GXDOALOFPMSEEA-VSGBNLITSA-N 1 0 510.638 4.439 1 0 KIAFRO [NH3+][C@H]1CCCc2ccc(NC(=O)CN3CCCC[C@@H](NC(=O)c4ccc(-c5ccccc5)cc4)C3=O)cc21 ZINC000013588658 561721274 /nfs/dbraw/zinc/72/12/74/561721274.db2.gz GXDOALOFPMSEEA-WUFINQPMSA-N 1 0 510.638 4.439 1 0 KIAFRO [NH3+][C@@H]1CCCc2ccc(NC(=O)CN3CCCC[C@H](NC(=O)c4ccc(-c5ccccc5)cc4)C3=O)cc21 ZINC000013588659 561721239 /nfs/dbraw/zinc/72/12/39/561721239.db2.gz GXDOALOFPMSEEA-IZLXSDGUSA-N 1 0 510.638 4.439 1 0 KIAFRO [NH3+][C@H]1CCCc2ccc(NC(=O)CN3CCCC[C@H](NC(=O)c4ccc(-c5ccccc5)cc4)C3=O)cc21 ZINC000013588660 561721272 /nfs/dbraw/zinc/72/12/72/561721272.db2.gz GXDOALOFPMSEEA-NSOVKSMOSA-N 1 0 510.638 4.439 1 0 KIAFRO C[NH+](C)CCCN1C(=O)[C@H](c2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=S ZINC000013588717 561721243 /nfs/dbraw/zinc/72/12/43/561721243.db2.gz RLLQQCVZGOLIIS-VWLOTQADSA-N 1 0 511.655 4.156 1 0 KIAFRO C[NH+](C)CCCN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=S ZINC000013588718 561721185 /nfs/dbraw/zinc/72/11/85/561721185.db2.gz RSZWMKSWYWFHMX-SANMLTNESA-N 1 0 525.682 4.026 1 0 KIAFRO C[NH+](C)CCCN1C(=O)[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000013588721 561721261 /nfs/dbraw/zinc/72/12/61/561721261.db2.gz IXLOJUPQFLFPAG-MHZLTWQESA-N 1 0 523.641 4.251 1 0 KIAFRO C[NH+](C)CCc1c[nH]c2ccc(C[C@@H]3NC(=O)N(Cc4cccc(NC(=O)c5ccccc5)c4)C3=O)cc12 ZINC000013603490 561721648 /nfs/dbraw/zinc/72/16/48/561721648.db2.gz HXYRMQYTUWBNCW-MHZLTWQESA-N 1 0 509.610 4.187 1 0 KIAFRO C[NH+](C)CCc1c[nH]c2ccc(C[C@H]3NC(=O)N(Cc4cccc(NC(=O)c5ccccc5)c4)C3=O)cc12 ZINC000013603492 561721606 /nfs/dbraw/zinc/72/16/06/561721606.db2.gz HXYRMQYTUWBNCW-HHHXNRCGSA-N 1 0 509.610 4.187 1 0 KIAFRO C[NH2+][C@@H](Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2F)c1=O)c1ccccc1 ZINC000013609596 561721870 /nfs/dbraw/zinc/72/18/70/561721870.db2.gz OEKYQWSUPLNKJE-QHCPKHFHSA-N 1 0 509.528 4.420 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](CC(C)C)[NH+](C)C)c2=O)c1F ZINC000013609606 561721885 /nfs/dbraw/zinc/72/18/85/561721885.db2.gz NCCDBRWSMYISFR-SFHVURJKSA-N 1 0 503.565 4.436 1 0 KIAFRO C[NH2+][C@@H](Cn1c(=O)c(-c2ccc3c(c2)OCO3)c(C)n(Cc2c(F)cccc2F)c1=O)c1ccccc1 ZINC000013609647 561721882 /nfs/dbraw/zinc/72/18/82/561721882.db2.gz WNHRUAZGRQBOOI-QHCPKHFHSA-N 1 0 505.521 4.001 1 0 KIAFRO Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4C[C@@H](C)[NH2+][C@H](C)C4)cn3)ncc12 ZINC000013641646 561722170 /nfs/dbraw/zinc/72/21/70/561722170.db2.gz RVRDNOJFPRMUSX-HUUCEWRRSA-N 1 0 512.456 4.303 1 0 KIAFRO Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4C[C@@H](C)[NH2+][C@@H](C)C4)cn3)ncc12 ZINC000013641652 561722162 /nfs/dbraw/zinc/72/21/62/561722162.db2.gz RVRDNOJFPRMUSX-GASCZTMLSA-N 1 0 512.456 4.303 1 0 KIAFRO Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4C[C@H](C)[NH2+][C@@H](C)C4)cn3)ncc12 ZINC000013641655 561722136 /nfs/dbraw/zinc/72/21/36/561722136.db2.gz RVRDNOJFPRMUSX-GJZGRUSLSA-N 1 0 512.456 4.303 1 0 KIAFRO CCC(CC)[NH2+]CCCn1c(Sc2cc(OC)ccc2I)nc2c1ncnc2N ZINC000013679909 561724545 /nfs/dbraw/zinc/72/45/45/561724545.db2.gz ZISPNJILQDJGRR-UHFFFAOYSA-N 1 0 526.448 4.341 1 0 KIAFRO COc1cc(C)c(S(=O)(=O)NC[C@@H](O)[C@H](Cc2ccccc2)[NH2+]Cc2cccc(Cl)c2)c(C)c1C ZINC000013681956 561724602 /nfs/dbraw/zinc/72/46/02/561724602.db2.gz NMWFFNHLGKDPOV-LOSJGSFVSA-N 1 0 517.091 4.314 1 0 in-vitro KIAFRO COc1ccc(CC[N@H+](C)CCCN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1OC ZINC000013687247 561724757 /nfs/dbraw/zinc/72/47/57/561724757.db2.gz HQDHRIMGPIZFQT-QYVRTBTHSA-N 1 0 510.634 4.460 1 0 KIAFRO Cc1cc(OCc2ccc(F)cc2)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)NCCCc1ccccc1 ZINC000013735528 561725559 /nfs/dbraw/zinc/72/55/59/561725559.db2.gz JXUBHIQHTFPUFA-DFHRPNOPSA-N 1 0 505.634 4.145 1 0 KIAFRO Cc1cc(OCc2ccc(F)cc2)cc(C)c1C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)NCCCc1ccccc1 ZINC000013735531 561725591 /nfs/dbraw/zinc/72/55/91/561725591.db2.gz JXUBHIQHTFPUFA-SKCUWOTOSA-N 1 0 505.634 4.145 1 0 KIAFRO C[NH2+][C@@H](Cc1c(C)cc(OCc2ccccc2)cc1C)C(=O)N[C@H](C)C(=O)NCCCc1ccccc1 ZINC000013735537 561725586 /nfs/dbraw/zinc/72/55/86/561725586.db2.gz OJUQZDCQNMKNFP-GIGWZHCTSA-N 1 0 501.671 4.267 1 0 KIAFRO COC(=O)/C=C/C(=O)Nc1cccc([C@@H](C[NH+]2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000013739971 561725799 /nfs/dbraw/zinc/72/57/99/561725799.db2.gz WMKQVFAINVHENN-BREAQWACSA-N 1 0 518.441 4.499 1 0 KIAFRO COC(=O)/C=C/C(=O)Nc1ccc([C@@H](C[NH+]2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013739973 561725819 /nfs/dbraw/zinc/72/58/19/561725819.db2.gz NPNHCVAIZCAWHO-HRBBJJPOSA-N 1 0 518.441 4.499 1 0 KIAFRO COc1c(Br)ccc(O)c1C(=O)NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000013747195 561727025 /nfs/dbraw/zinc/72/70/25/561727025.db2.gz BKSCLCCVAGENMQ-UHFFFAOYSA-N 1 0 519.465 4.105 1 0 KIAFRO O=C(CC1CC[NH2+]CC1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000013778953 561728768 /nfs/dbraw/zinc/72/87/68/561728768.db2.gz VOCBHZWNUHMROR-RUZDIDTESA-N 1 0 517.899 4.219 1 0 KIAFRO O=C(CC1CC[NH2+]CC1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000013778955 561728792 /nfs/dbraw/zinc/72/87/92/561728792.db2.gz VOCBHZWNUHMROR-VWLOTQADSA-N 1 0 517.899 4.219 1 0 KIAFRO [NH3+][C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Br)c1)C(c1ccccc1)c1ccccc1 ZINC000013779053 561728729 /nfs/dbraw/zinc/72/87/29/561728729.db2.gz PDRJRTUFUBDVDK-UKILVPOCSA-N 1 0 506.444 4.216 1 0 KIAFRO CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=[NH2+])NCc1ccccc1Cl ZINC000013780787 561729204 /nfs/dbraw/zinc/72/92/04/561729204.db2.gz WZBZBOIJEFYIAT-SVBPBHIXSA-N 1 0 532.088 4.215 1 0 KIAFRO CN(C(=O)c1cccc(C[NH3+])c1)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@@H](CO)Cc1ccccc1 ZINC000013781190 561729348 /nfs/dbraw/zinc/72/93/48/561729348.db2.gz UWVSBSPAESNIEK-LOYHVIPDSA-N 1 0 509.650 4.044 1 0 KIAFRO COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3C[NH+](C)C)nc(N)c2cc1OC ZINC000013782113 561729645 /nfs/dbraw/zinc/72/96/45/561729645.db2.gz PENQVTYQBISCOC-UHFFFAOYSA-N 1 0 508.667 4.060 1 0 KIAFRO COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(C[NH+](C)C)c3)nc(N)c2cc1OC ZINC000013782116 561729657 /nfs/dbraw/zinc/72/96/57/561729657.db2.gz JSMDVVKGKQQXSH-UHFFFAOYSA-N 1 0 508.667 4.060 1 0 KIAFRO COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(C[NH+](C)C)cc3)nc(N)c2cc1OC ZINC000013782118 561729620 /nfs/dbraw/zinc/72/96/20/561729620.db2.gz YOZQWOACJYQHRK-UHFFFAOYSA-N 1 0 508.667 4.060 1 0 KIAFRO COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCCC[NH+](C)C)c2)cc1 ZINC000013798166 561730199 /nfs/dbraw/zinc/73/01/99/561730199.db2.gz XGNOQSFKTHSFOC-SSEXGKCCSA-N 1 0 517.578 4.153 1 0 KIAFRO COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCCC[NH+](C)C)c2)cc1 ZINC000013798170 561730170 /nfs/dbraw/zinc/73/01/70/561730170.db2.gz XGNOQSFKTHSFOC-PMERELPUSA-N 1 0 517.578 4.153 1 0 KIAFRO COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCC[NH+]3CCCC3)c2)cc1 ZINC000013798173 561730184 /nfs/dbraw/zinc/73/01/84/561730184.db2.gz BCGHSMJUTFDZQE-WJOKGBTCSA-N 1 0 529.589 4.297 1 0 KIAFRO COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCC[NH+]3CCCC3)c2)cc1 ZINC000013798177 561730190 /nfs/dbraw/zinc/73/01/90/561730190.db2.gz BCGHSMJUTFDZQE-HKBQPEDESA-N 1 0 529.589 4.297 1 0 KIAFRO COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000013798181 561730197 /nfs/dbraw/zinc/73/01/97/561730197.db2.gz QQXHFAXELLQPPS-SSEXGKCCSA-N 1 0 517.578 4.153 1 0 KIAFRO COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000013798184 561730172 /nfs/dbraw/zinc/73/01/72/561730172.db2.gz QQXHFAXELLQPPS-PMERELPUSA-N 1 0 517.578 4.153 1 0 KIAFRO COC(=O)C[C@@]1(C(=O)Nc2ccc(-c3ccccc3SC)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799288 561730299 /nfs/dbraw/zinc/73/02/99/561730299.db2.gz RGPVNZPSKITBFG-HHHXNRCGSA-N 1 0 502.596 4.425 1 0 KIAFRO COC(=O)C[C@]1(C(=O)Nc2ccc(-c3ccccc3SC)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799292 561730303 /nfs/dbraw/zinc/73/03/03/561730303.db2.gz RGPVNZPSKITBFG-MHZLTWQESA-N 1 0 502.596 4.425 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000013802252 561730785 /nfs/dbraw/zinc/73/07/85/561730785.db2.gz VNYMBUMHKREEFE-RUZDIDTESA-N 1 0 526.584 4.457 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000013802255 561730796 /nfs/dbraw/zinc/73/07/96/561730796.db2.gz VNYMBUMHKREEFE-VWLOTQADSA-N 1 0 526.584 4.457 1 0 KIAFRO CC(=O)Nc1ccc(C(=O)N(C)CC2CC[NH+](CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1 ZINC000013802598 561730925 /nfs/dbraw/zinc/73/09/25/561730925.db2.gz FJPITHOUZFAITB-UHFFFAOYSA-N 1 0 513.646 4.124 1 0 KIAFRO O=C(C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cccnc1)OCCC1CCCCC1 ZINC000013803248 561731045 /nfs/dbraw/zinc/73/10/45/561731045.db2.gz MFGHNUHLUBBJOD-SXOMAYOGSA-N 1 0 526.722 4.161 1 0 KIAFRO COc1c(I)cc(C[C@@H]2[NH2+]CCc3ccccc32)cc1I ZINC000013805078 561731348 /nfs/dbraw/zinc/73/13/48/561731348.db2.gz OMUAKAPAFNBMJR-INIZCTEOSA-N 1 0 505.137 4.334 1 0 KIAFRO CC1=C(C(=O)NCCC[NH+]2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C ZINC000013809149 561731577 /nfs/dbraw/zinc/73/15/77/561731577.db2.gz ACXCLVVRXJUJEC-RUZDIDTESA-N 1 0 500.565 4.460 1 0 KIAFRO CC1=C(C(=O)NCCC[NH+]2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC(=O)N1C ZINC000013809151 561731588 /nfs/dbraw/zinc/73/15/88/561731588.db2.gz ACXCLVVRXJUJEC-VWLOTQADSA-N 1 0 500.565 4.460 1 0 KIAFRO CC1=C(C(=O)NCCC[NH+]2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1 ZINC000013809194 561731749 /nfs/dbraw/zinc/73/17/49/561731749.db2.gz CHSVWGZALFVOMB-RUZDIDTESA-N 1 0 500.565 4.460 1 0 KIAFRO COc1ccc(CC[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c[nH]nc3C(C)C)cc2)cc1OC ZINC000013827203 561733002 /nfs/dbraw/zinc/73/30/02/561733002.db2.gz DKVNASUUYOKCHP-UHFFFAOYSA-N 1 0 501.649 4.327 1 0 KIAFRO CCCC(CCC)C[NH+]1CCC(S(=O)(=O)CCCOc2ccc3[nH]c4nc(=O)[nH]c-4cc3c2)CC1 ZINC000013833426 561733832 /nfs/dbraw/zinc/73/38/32/561733832.db2.gz WRYCFNUGJFOQMS-UHFFFAOYSA-N 1 0 502.681 4.269 1 0 KIAFRO O=c1nc2[nH]c3ccc(OCCCCc4nnnn4C4CC[NH+](CC5CCCCC5)CC4)cc3cc-2[nH]1 ZINC000013833435 561733825 /nfs/dbraw/zinc/73/38/25/561733825.db2.gz QQCLEDKSDNPNDX-UHFFFAOYSA-N 1 0 504.639 4.010 1 0 KIAFRO O=c1nc2[nH]c3ccc(OCCCc4nnnn4C4CC[NH+](CC5CCCCCC5)CC4)cc3cc-2[nH]1 ZINC000013833436 561733858 /nfs/dbraw/zinc/73/38/58/561733858.db2.gz WLWJLSNENCTRKG-UHFFFAOYSA-N 1 0 504.639 4.010 1 0 KIAFRO CCCC(CCC)C[NH+]1CCC(n2nnnc2CCCOc2ccc3[nH]c4nc(=O)[nH]c-4cc3c2)CC1 ZINC000013833439 561733848 /nfs/dbraw/zinc/73/38/48/561733848.db2.gz FXASPIBWTPPNIN-UHFFFAOYSA-N 1 0 506.655 4.256 1 0 KIAFRO COc1cc(C(=O)N(C)C[C@H](c2cccc3c2OCO3)N2CCC([NH+]3CCCCC3)CC2)cc(OC)c1OC ZINC000013835143 561734311 /nfs/dbraw/zinc/73/43/11/561734311.db2.gz RKMNJDJHIUANMC-XMMPIXPASA-N 1 0 539.673 4.205 1 0 KIAFRO COc1cc(C(=O)N(C)C[C@@H](c2cccc3c2OCO3)N2CCC([NH+]3CCCCC3)CC2)cc(OC)c1OC ZINC000013835144 561734313 /nfs/dbraw/zinc/73/43/13/561734313.db2.gz RKMNJDJHIUANMC-DEOSSOPVSA-N 1 0 539.673 4.205 1 0 KIAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(C(C)(C)C)c(OCC(=O)OC)c1)C(C)C ZINC000013911477 561735729 /nfs/dbraw/zinc/73/57/29/561735729.db2.gz PAHLRMVTECRACY-VQPAQMSKSA-N 1 0 506.728 4.371 1 0 KIAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(C(C)(C)C)c(OCS(C)(=O)=O)c1)C(C)C ZINC000013911479 561735696 /nfs/dbraw/zinc/73/56/96/561735696.db2.gz YMPLTFCIOBBXOA-VQPAQMSKSA-N 1 0 526.784 4.201 1 0 KIAFRO CC[NH+](CC)CCN1c2cc(C(N)=O)cc(C(F)(F)F)c2[C@](O)(c2ccc(Cl)cc2Cl)C1=O ZINC000013915652 561735708 /nfs/dbraw/zinc/73/57/08/561735708.db2.gz UGSJRBNHLQCZGX-OAQYLSRUSA-N 1 0 504.336 4.035 1 0 KIAFRO Cc1ccc(C(=O)N(CCC[NH3+])[C@H](c2nn3c(Cl)ccc3c(=O)n2Cc2ccccc2)C2CC2)cc1 ZINC000013975193 561735905 /nfs/dbraw/zinc/73/59/05/561735905.db2.gz XIQQNATXHXOSEI-VWLOTQADSA-N 1 0 504.034 4.448 1 0 KIAFRO CCN(CCC[NH+]1CCC2(CC1)OCc1ccccc12)C(=O)[C@H](c1ccc(F)c(F)c1)N1CCCC1=O ZINC000013977480 561735881 /nfs/dbraw/zinc/73/58/81/561735881.db2.gz YFPQFEDZZVHPSB-MHZLTWQESA-N 1 0 511.613 4.388 1 0 KIAFRO CCOc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)[C@@H]4CC[N@H+](C)C4)C3)s2)c(Cl)c1 ZINC000013981373 561735986 /nfs/dbraw/zinc/73/59/86/561735986.db2.gz GRUXIYRSCHRZDE-MSOLQXFVSA-N 1 0 505.084 4.369 1 0 KIAFRO C[C@H](Cc1cccc(CC(=O)NCC23CC4CC(CC(C4)C2)C3)c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000013984446 561736115 /nfs/dbraw/zinc/73/61/15/561736115.db2.gz PNZQBIROPDWCJZ-GRBSEGRKSA-N 1 0 506.687 4.014 1 0 KIAFRO COc1ccc(C(=[NH2+])N2CCC(Oc3ccc([C@@H](Oc4ccc5c(c4)CN(C(N)=[NH2+])CC5)C(=O)[O-])cc3)CC2)cc1 ZINC000014113110 561736572 /nfs/dbraw/zinc/73/65/72/561736572.db2.gz QLBJQVJUBANQLV-MUUNZHRXSA-N 1 0 557.651 4.020 1 0 KIAFRO COc1c(I)cc(C[C@@H]2[NH2+]CCc3cc(O)ccc32)cc1I ZINC000014127928 561736807 /nfs/dbraw/zinc/73/68/07/561736807.db2.gz BAENDFBYSDBIFW-INIZCTEOSA-N 1 0 521.136 4.040 1 0 KIAFRO COC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 ZINC000014128059 561736776 /nfs/dbraw/zinc/73/67/76/561736776.db2.gz ATQJIONCSXFZHD-MHZLTWQESA-N 1 0 599.798 4.141 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC3(CC2)OCc2ccccc23)[C@H]1c1ccc(F)c(F)c1 ZINC000014141336 561737111 /nfs/dbraw/zinc/73/71/11/561737111.db2.gz MVUYRJDAYOGRLE-VWLOTQADSA-N 1 0 554.594 4.099 1 0 KIAFRO Cc1ccc(C(=O)N(CCC[NH3+])[C@@H](c2nn3ccc(Cl)c3c(=O)n2Cc2ccccc2)C2CC2)cc1 ZINC000014176322 561737317 /nfs/dbraw/zinc/73/73/17/561737317.db2.gz IKORZPHBTIOSSU-XMMPIXPASA-N 1 0 504.034 4.448 1 0 in-vitro KIAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000014176530 561737322 /nfs/dbraw/zinc/73/73/22/561737322.db2.gz MMNFZCWXLBJTKN-WJOKGBTCSA-N 1 0 626.806 4.481 1 0 KIAFRO COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCC[NH3+] ZINC000014234261 561738204 /nfs/dbraw/zinc/73/82/04/561738204.db2.gz FGQGIKICSVWTEY-OAJQQGRKSA-N 1 0 638.787 4.023 1 0 KIAFRO O=C(Nc1ccc(Cl)cc1)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000014262571 561738725 /nfs/dbraw/zinc/73/87/25/561738725.db2.gz MTFAIDSQJNWDLJ-WNCULLNHSA-N 1 0 532.044 4.129 1 0 KIAFRO O=C(Nc1ccc(Cl)cc1)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000014262573 561738734 /nfs/dbraw/zinc/73/87/34/561738734.db2.gz MTFAIDSQJNWDLJ-HOFKKMOUSA-N 1 0 532.044 4.129 1 0 KIAFRO CN(C(=O)/C=C/CC(C)(C)[NH3+])[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000014300276 561739601 /nfs/dbraw/zinc/73/96/01/561739601.db2.gz RZBXAFOFICUSBO-UXRYWTAESA-N 1 0 598.788 4.258 1 0 KIAFRO CC(C)[C@@H]1SCC[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014942860 561740284 /nfs/dbraw/zinc/74/02/84/561740284.db2.gz QLFYYBGXVAYDRB-QWZPYLIWSA-N 1 0 577.857 4.326 1 0 KIAFRO CC(C)[C@H]1SCC[C@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014942862 561740300 /nfs/dbraw/zinc/74/03/00/561740300.db2.gz QLFYYBGXVAYDRB-GSYGMJNASA-N 1 0 577.857 4.326 1 0 KIAFRO COC[C@@H]1SCC[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014943071 561740734 /nfs/dbraw/zinc/74/07/34/561740734.db2.gz TVASCYDFQDRAJE-PMJXQHFJSA-N 1 0 575.816 4.001 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2CCC[C@@H]12 ZINC000014943073 561740696 /nfs/dbraw/zinc/74/06/96/561740696.db2.gz LUICRMGYHPZLQE-XUSCARPCSA-N 1 0 555.760 4.048 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CC[C@H]2OCC[C@H]21 ZINC000014943074 561740795 /nfs/dbraw/zinc/74/07/95/561740795.db2.gz BXHKUQJOWIKKIH-LNDVOCBLSA-N 1 0 555.760 4.048 1 0 KIAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc2ncccc2c1)NC(=O)OC(C)(C)C ZINC000014943105 561740920 /nfs/dbraw/zinc/74/09/20/561740920.db2.gz SCFUZBGSNDDHBF-QUAHOIDUSA-N 1 0 594.753 4.118 1 0 KIAFRO COCCCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000014943114 561740854 /nfs/dbraw/zinc/74/08/54/561740854.db2.gz VVYUNBWXGPXGBU-SYQUUIDJSA-N 1 0 645.838 4.375 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccncc2)CC[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000014943135 561740881 /nfs/dbraw/zinc/74/08/81/561740881.db2.gz WAHBCPQDHASNLU-QNRWOPMTSA-N 1 0 588.749 4.245 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccncc2)CC[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1 ZINC000014943137 561740873 /nfs/dbraw/zinc/74/08/73/561740873.db2.gz VFWJLYLCPJFUKE-OKDNLZPVSA-N 1 0 586.777 4.067 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccncc2)CC[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CSc1ccccc1 ZINC000014943138 561740858 /nfs/dbraw/zinc/74/08/58/561740858.db2.gz PGASSTKSMMTYHX-CFNXAKABSA-N 1 0 604.817 4.227 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccncc2)CC[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccccc1 ZINC000014943139 561740929 /nfs/dbraw/zinc/74/09/29/561740929.db2.gz FXGXHPLBTOAXAD-JDIHBLRXSA-N 1 0 600.804 4.457 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccncc2)CC[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1 ZINC000014943140 561740855 /nfs/dbraw/zinc/74/08/55/561740855.db2.gz YEPGBKOTJWSVML-WJKUSJKMSA-N 1 0 584.761 4.148 1 0 KIAFRO Cc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943142 561740893 /nfs/dbraw/zinc/74/08/93/561740893.db2.gz NHVDOABLJWTEDN-JDIHBLRXSA-N 1 0 600.804 4.376 1 0 KIAFRO Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943146 561741073 /nfs/dbraw/zinc/74/10/73/561741073.db2.gz YNTKPAFJCHPPOK-OKDNLZPVSA-N 1 0 616.803 4.130 1 0 KIAFRO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1 ZINC000014943228 561741165 /nfs/dbraw/zinc/74/11/65/561741165.db2.gz DINVEKSKHNZYSJ-PSWJWLENSA-N 1 0 611.739 4.373 1 0 KIAFRO CC(C)(C)COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCC(C)(C)C ZINC000014943230 561741141 /nfs/dbraw/zinc/74/11/41/561741141.db2.gz ZBGXABUMMRHBNS-YVHASNINSA-N 1 0 571.759 4.065 1 0 KIAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)SC(C)(C)C ZINC000014943231 561741175 /nfs/dbraw/zinc/74/11/75/561741175.db2.gz BPEXGZSFDTVMDJ-QEGGNFSNSA-N 1 0 559.773 4.286 1 0 KIAFRO CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCC[NH+](C)C ZINC000014943401 561741748 /nfs/dbraw/zinc/74/17/48/561741748.db2.gz UXSSUAWLKFHZPM-BHSUFKTOSA-N 1 0 610.840 4.331 1 0 KIAFRO CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCC[NH+](C)C ZINC000014943402 561741655 /nfs/dbraw/zinc/74/16/55/561741655.db2.gz OMFXTEYPVOHXHU-WGSLAQOFSA-N 1 0 610.840 4.331 1 0 KIAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCC[NH+](C)C ZINC000014943403 561741734 /nfs/dbraw/zinc/74/17/34/561741734.db2.gz OMFXTEYPVOHXHU-RJHOZCNWSA-N 1 0 610.840 4.331 1 0 KIAFRO Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc1)C2=O ZINC000014950461 561745585 /nfs/dbraw/zinc/74/55/85/561745585.db2.gz BGSMHNHLTFKRFT-XMMPIXPASA-N 1 0 534.620 4.341 1 0 KIAFRO Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc1F)C2=O ZINC000014950465 561745543 /nfs/dbraw/zinc/74/55/43/561745543.db2.gz JNQXDDWCPSDRRR-JOCHJYFZSA-N 1 0 552.610 4.480 1 0 KIAFRO COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5C[NH+]5CCCC5)cc4F)c(=O)c32)cc1 ZINC000014950526 561745548 /nfs/dbraw/zinc/74/55/48/561745548.db2.gz YNAITOPHNFDVOT-UHFFFAOYSA-N 1 0 538.583 4.081 1 0 KIAFRO COc1ccc(-n2nc(Cn3cnnn3)c3nc(C)n(-c4ccc(-c5ccccc5C[NH+]5CCCC5)cc4)c(=O)c32)cc1 ZINC000014950549 561745563 /nfs/dbraw/zinc/74/55/63/561745563.db2.gz PMSXNNAQNLQNNB-UHFFFAOYSA-N 1 0 573.661 4.186 1 0 KIAFRO C[NH+](C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccccc4S(N)(=O)=O)c3C2=O)cc1 ZINC000014950557 561745590 /nfs/dbraw/zinc/74/55/90/561745590.db2.gz OLZJCKKKGQHZIC-UHFFFAOYSA-N 1 0 569.609 4.470 1 0 KIAFRO NC(=O)c1cccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)c1 ZINC000014950601 561745630 /nfs/dbraw/zinc/74/56/30/561745630.db2.gz HNCKZXDJGXSLKW-XMMPIXPASA-N 1 0 575.591 4.427 1 0 KIAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4ncccc43)cc2F)c1 ZINC000014950648 561745690 /nfs/dbraw/zinc/74/56/90/561745690.db2.gz GJMQGXYHAINXFV-UHFFFAOYSA-N 1 0 508.439 4.300 1 0 KIAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cnccc43)cc2F)c1 ZINC000014950652 561745666 /nfs/dbraw/zinc/74/56/66/561745666.db2.gz PFHPACZGCWBXSL-UHFFFAOYSA-N 1 0 508.439 4.300 1 0 KIAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4ccncc43)cc2F)c1 ZINC000014950656 561745652 /nfs/dbraw/zinc/74/56/52/561745652.db2.gz OIMVSHQLQYINLD-UHFFFAOYSA-N 1 0 508.439 4.300 1 0 KIAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cccnc43)cc2F)c1 ZINC000014950660 561745688 /nfs/dbraw/zinc/74/56/88/561745688.db2.gz DIPIGKJYPIWQRI-UHFFFAOYSA-N 1 0 508.439 4.300 1 0 KIAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3cnc4cc(N)ccc43)cc2F)c1 ZINC000014950676 561745670 /nfs/dbraw/zinc/74/56/70/561745670.db2.gz SZCUDERAYZVADS-UHFFFAOYSA-N 1 0 522.466 4.488 1 0 KIAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(N3C(=O)N=C4C=CC=C[C@H]43)cc2)c1 ZINC000014950689 561745771 /nfs/dbraw/zinc/74/57/71/561745771.db2.gz FWMYULUWVDVLOE-LJQANCHMSA-N 1 0 505.460 4.303 1 0 KIAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(N3C(=O)N=C4C=CC=C[C@@H]43)cc2)c1 ZINC000014950692 561745781 /nfs/dbraw/zinc/74/57/81/561745781.db2.gz FWMYULUWVDVLOE-IBGZPJMESA-N 1 0 505.460 4.303 1 0 KIAFRO Cc1nn(-c2ccc3onc(N)c3c2)c2c1nc(C)n(-c1ccc(-c3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc1)c2=O ZINC000014951263 561746007 /nfs/dbraw/zinc/74/60/07/561746007.db2.gz POCPCDOLJIBGGA-XMMPIXPASA-N 1 0 547.619 4.145 1 0 KIAFRO Nc1noc2ccc(-n3nc(C(F)(F)F)c4[nH]c(=O)n(-c5ccc(-c6ccccc6C[N@@H+]6CC[C@@H](O)C6)cc5)c(=O)c43)cc12 ZINC000014951298 561745985 /nfs/dbraw/zinc/74/59/85/561745985.db2.gz TWMNBFIQJQJQJW-HXUWFJFHSA-N 1 0 603.561 4.253 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1)C(=O)NC[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000014952242 560227705 /nfs/dbraw/zinc/22/77/05/560227705.db2.gz DDVPVAOEMZRZQU-JONNCTARSA-N 1 0 585.753 4.211 1 0 in-vitro KIAFRO CCn1c2cc(Oc3cccc(NC(=O)c4ccc(OCC[NH+](C)C)cc4)c3)ncc2nc1-c1nonc1N ZINC000014954331 561747001 /nfs/dbraw/zinc/74/70/01/561747001.db2.gz NWBWONVMLBVLGB-UHFFFAOYSA-N 1 0 528.573 4.068 1 0 KIAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1)C(=O)c1nc2ccccc2s1 ZINC000014954467 561746990 /nfs/dbraw/zinc/74/69/90/561746990.db2.gz YRXHPMDKEZLJQE-SXOMAYOGSA-N 1 0 596.757 4.440 1 0 KIAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1)C(=O)c1nc2ccccc2s1 ZINC000014954471 561746943 /nfs/dbraw/zinc/74/69/43/561746943.db2.gz YRXHPMDKEZLJQE-SVBPBHIXSA-N 1 0 596.757 4.440 1 0 KIAFRO C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2s1 ZINC000014954583 561747147 /nfs/dbraw/zinc/74/71/47/561747147.db2.gz UHQRESAJKPGOHF-NXCFDTQHSA-N 1 0 540.689 4.028 1 0 KIAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCc3ccc(Cl)cc3)nc(Cl)c2-c2ccccc2)cc1 ZINC000014955909 561747447 /nfs/dbraw/zinc/74/74/47/561747447.db2.gz FBPYCFYQPFQXPA-UHFFFAOYSA-N 1 0 535.435 4.430 1 0 KIAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCc3cc(F)ccc3F)nc(Cl)c2-c2ccccc2)cc1 ZINC000014955913 561747500 /nfs/dbraw/zinc/74/75/00/561747500.db2.gz JANYOMNISXVIRD-UHFFFAOYSA-N 1 0 536.970 4.054 1 0 KIAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCc3cc(F)cc(F)c3)nc(Cl)c2-c2ccccc2)cc1 ZINC000014955917 561747470 /nfs/dbraw/zinc/74/74/70/561747470.db2.gz UZCKPHZDXRXUKY-UHFFFAOYSA-N 1 0 536.970 4.054 1 0 KIAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCc3ccc(Cl)cc3)nc(Cl)c2-c2ccccc2)cc1 ZINC000014955925 561747472 /nfs/dbraw/zinc/74/74/72/561747472.db2.gz UOBNDUHIJFVGQQ-UHFFFAOYSA-N 1 0 549.462 4.472 1 0 KIAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCc3ccccc3)nc(Cl)c2-c2ccccc2Cl)cc1 ZINC000014955956 561747509 /nfs/dbraw/zinc/74/75/09/561747509.db2.gz NKJFFXPDYIQUBX-UHFFFAOYSA-N 1 0 549.462 4.472 1 0 KIAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCc3ccccc3)nc(Cl)c2-c2cccc(Cl)c2)cc1 ZINC000014955960 561747491 /nfs/dbraw/zinc/74/74/91/561747491.db2.gz SQESJORMSRXRJD-UHFFFAOYSA-N 1 0 549.462 4.472 1 0 KIAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCc3ccccc3)nc(Cl)c2-c2ccc(Cl)cc2)cc1 ZINC000014955964 561747516 /nfs/dbraw/zinc/74/75/16/561747516.db2.gz BDUTVVFYIRMFAF-UHFFFAOYSA-N 1 0 549.462 4.472 1 0 KIAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCc3ccccc3)nc(Cl)c2-c2cccc(NC(=O)C(F)(F)F)c2)cc1 ZINC000014956029 561747605 /nfs/dbraw/zinc/74/76/05/561747605.db2.gz RISTVLHHKSEXTE-UHFFFAOYSA-N 1 0 626.039 4.320 1 0 KIAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]C(C)(C)C(=O)NCC(C)C)c1 ZINC000014959561 561748247 /nfs/dbraw/zinc/74/82/47/561748247.db2.gz USWOYPKVOXJJPM-URLMMPGGSA-N 1 0 602.767 4.378 1 0 KIAFRO C[C@@H](NC(=O)c1cc(COC[C@](C)([NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000014960451 561748359 /nfs/dbraw/zinc/74/83/59/561748359.db2.gz HEVVQTLSQHWKDS-PIIWDFAUSA-N 1 0 527.662 4.189 1 0 KIAFRO O=C(NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl)C1CC[NH2+]CC1 ZINC000014961577 561748419 /nfs/dbraw/zinc/74/84/19/561748419.db2.gz YRJCGFIHLVCSEO-UHFFFAOYSA-N 1 0 500.430 4.183 1 0 KIAFRO CCCC[C@H]([NH3+])[C@H](Cc1ccccc1)NC(=O)c1cc(N(C)C[C@H]2C[C@@H]2C)nc(N(CCC)S(C)(=O)=O)c1 ZINC000014961866 561748567 /nfs/dbraw/zinc/74/85/67/561748567.db2.gz WRGYTFATDFTUGF-QUKDMSEQSA-N 1 0 543.778 4.208 1 0 KIAFRO CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCOCC(F)(F)F)C(=O)[C@](C)(c1cc(F)cc(F)c1)O2 ZINC000014966501 561750028 /nfs/dbraw/zinc/75/00/28/561750028.db2.gz FJQHVRLZNOVKOO-DEOSSOPVSA-N 1 0 537.489 4.368 1 0 KIAFRO CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCOCC(F)(F)F)C(=O)[C@@](C)(c1cc(F)cc(F)c1)O2 ZINC000014966505 561750010 /nfs/dbraw/zinc/75/00/10/561750010.db2.gz FJQHVRLZNOVKOO-XMMPIXPASA-N 1 0 537.489 4.368 1 0 KIAFRO CCc1[nH+]c(N)nc(NCCNS(=O)(=O)c2ccc3ccccc3c2)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(C)O2 ZINC000014966605 561750006 /nfs/dbraw/zinc/75/00/06/561750006.db2.gz RRWBDAPAGFVYPT-UHFFFAOYSA-N 1 0 618.760 4.372 1 0 in-vitro KIAFRO O=C1c2ccccc2C(=O)N1CCOc1ccccc1C[NH2+]C[C@H](O)c1cc(Br)cs1 ZINC000014966862 561750082 /nfs/dbraw/zinc/75/00/82/561750082.db2.gz TXFGIQHSKUINRC-IBGZPJMESA-N 1 0 501.402 4.009 1 0 KIAFRO O=C1c2ccccc2C(=O)N1CCOc1ccccc1C[NH2+]C[C@@H](O)c1cc(Br)cs1 ZINC000014966866 561750048 /nfs/dbraw/zinc/75/00/48/561750048.db2.gz TXFGIQHSKUINRC-LJQANCHMSA-N 1 0 501.402 4.009 1 0 KIAFRO CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc1)C2=O ZINC000014969382 561750553 /nfs/dbraw/zinc/75/05/53/561750553.db2.gz YALQNWIYMBHEMW-AREMUKBSSA-N 1 0 566.658 4.494 1 0 KIAFRO COc1ccc(-n2nc(C(=O)N(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969397 561750733 /nfs/dbraw/zinc/75/07/33/561750733.db2.gz WLBWFTGACLTMDU-AREMUKBSSA-N 1 0 565.674 4.019 1 0 KIAFRO CNc1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc1)C2=O ZINC000014969417 561750684 /nfs/dbraw/zinc/75/06/84/561750684.db2.gz CFMAGVSIRHKWHW-RUZDIDTESA-N 1 0 523.637 4.359 1 0 KIAFRO COc1ccc(-n2nc(N(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969421 561750737 /nfs/dbraw/zinc/75/07/37/561750737.db2.gz JJEPTCSFQFAEHF-AREMUKBSSA-N 1 0 537.664 4.383 1 0 KIAFRO COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4C[NH+]4CCCC4)cc2)CC3)cc1 ZINC000014969475 561750678 /nfs/dbraw/zinc/75/06/78/561750678.db2.gz AZWOHKZXJMIDFB-UHFFFAOYSA-N 1 0 521.621 4.446 1 0 KIAFRO CS(=O)(=O)c1ccccc1C1=CC[C@@H](NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C[NH3+])c2)CC1 ZINC000014969522 561750727 /nfs/dbraw/zinc/75/07/27/561750727.db2.gz IDPQJBRATBKSKF-GOSISDBHSA-N 1 0 518.561 4.119 1 0 KIAFRO CS(=O)(=O)c1ccccc1C1=CC[C@H](NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C[NH3+])c2)CC1 ZINC000014969526 561750732 /nfs/dbraw/zinc/75/07/32/561750732.db2.gz IDPQJBRATBKSKF-SFHVURJKSA-N 1 0 518.561 4.119 1 0 KIAFRO CC[N@H+](C)Cc1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)CC1 ZINC000014969569 561750692 /nfs/dbraw/zinc/75/06/92/561750692.db2.gz AKDHCBCCGAELNG-UHFFFAOYSA-N 1 0 541.578 4.465 1 0 KIAFRO COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3C[NH+](C)C)CC2)cc1 ZINC000014969608 561750852 /nfs/dbraw/zinc/75/08/52/561750852.db2.gz HGTRHZWAYWVDSC-UHFFFAOYSA-N 1 0 501.553 4.360 1 0 KIAFRO CC[C@H](C)C(=O)N[C@H]1CC=C2C[C@H]3C(=O)C[C@]4(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)CO ZINC000014969873 561750798 /nfs/dbraw/zinc/75/07/98/561750798.db2.gz OOBJCUGOYDSDKU-JYEUPPAVSA-N 1 0 516.767 4.195 1 0 KIAFRO COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])c(OC)c1 ZINC000014970392 561750969 /nfs/dbraw/zinc/75/09/69/561750969.db2.gz WWQWKRWAIHYINO-GDLZYMKVSA-N 1 0 577.689 4.450 1 0 KIAFRO COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000014978263 561752691 /nfs/dbraw/zinc/75/26/91/561752691.db2.gz WCQVAWSYBDYEEQ-AREMUKBSSA-N 1 0 545.709 4.336 1 0 KIAFRO COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000014978267 561752683 /nfs/dbraw/zinc/75/26/83/561752683.db2.gz WCQVAWSYBDYEEQ-SANMLTNESA-N 1 0 545.709 4.336 1 0 KIAFRO COc1ccc(-c2nc(-c3cccs3)[nH]c2CCNS(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000014978273 561752700 /nfs/dbraw/zinc/75/27/00/561752700.db2.gz BMFCBMKPLCOORV-HSZRJFAPSA-N 1 0 551.738 4.397 1 0 KIAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCC)CC[NH2+]2)c1 ZINC000016052468 561754097 /nfs/dbraw/zinc/75/40/97/561754097.db2.gz JWYOKBPWLVCFKU-ICYKMPLBSA-N 1 0 559.698 4.395 1 0 in-vitro KIAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1)cc3N(C)S(=O)(=O)CC2 ZINC000016052623 561754017 /nfs/dbraw/zinc/75/40/17/561754017.db2.gz MSHYGGHZTGSTOG-LMSSTIIKSA-N 1 0 628.717 4.494 1 0 in-vitro KIAFRO Cn1c2cc(C(=O)NCC[NH+]3CCCC3)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000016052880 561754083 /nfs/dbraw/zinc/75/40/83/561754083.db2.gz LFRLUVCEFWYSFT-UHFFFAOYSA-N 1 0 516.985 4.067 1 0 in-vitro KIAFRO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000017653949 565104942 /nfs/dbraw/zinc/10/49/42/565104942.db2.gz QEVHRUUCFGRFIF-JYLITCIISA-N 1 0 608.688 4.171 1 0 biogenic,in-vitro KIAFRO CC[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccc(C)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000020575953 561758697 /nfs/dbraw/zinc/75/86/97/561758697.db2.gz CNORBXIWMHGTOS-UHFFFAOYSA-N 1 0 538.737 4.053 1 0 KIAFRO COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[NH+](C2CCCCC2)CC1)C(C)=O ZINC000022032974 561758820 /nfs/dbraw/zinc/75/88/20/561758820.db2.gz HCKQHXNWJMHBJT-MUUNZHRXSA-N 1 0 559.755 4.203 1 0 KIAFRO O[C@@H]1CCN(Cc2cccc(I)c2)C[C@H]1[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000022043277 561759098 /nfs/dbraw/zinc/75/90/98/561759098.db2.gz ZGXOBWFJJNNSCM-DNQXCXABSA-N 1 0 500.424 4.287 1 0 KIAFRO COc1cc(-c2nn(C3CCC([NH+]4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)Nc1ccccc1 ZINC000022795075 581097435 /nfs/dbraw/zinc/09/74/35/581097435.db2.gz JWXOLXZYHPKDLX-UHFFFAOYSA-N 1 0 555.687 4.459 1 0 KIAFRO COc1cc(-c2nn(C3CCC([NH+]4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccccc1 ZINC000022795088 581097380 /nfs/dbraw/zinc/09/73/80/581097380.db2.gz OKRHYXZXYNXSAO-UHFFFAOYSA-N 1 0 540.672 4.068 1 0 KIAFRO CC[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccc(C)cc3C)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000022795278 561759538 /nfs/dbraw/zinc/75/95/38/561759538.db2.gz OWTSUFCOWGZCPK-UHFFFAOYSA-N 1 0 552.764 4.361 1 0 KIAFRO CC[NH+](CC)C[C@@H]1CCCCN1CC(=O)N1c2ccc(Br)cc2C(=O)Nc2cccnc21 ZINC000022862809 561759529 /nfs/dbraw/zinc/75/95/29/561759529.db2.gz NAHUTNUVFDAUFI-SFHVURJKSA-N 1 0 500.441 4.271 1 0 KIAFRO COc1ccc2c(c1)C[C@H]([NH2+]CCN1CCC(CNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000022924510 561759577 /nfs/dbraw/zinc/75/95/77/561759577.db2.gz NYWWJUHGBUNGMO-HHHXNRCGSA-N 1 0 521.727 4.376 1 0 KIAFRO COc1ccc2c(c1)C[C@@H]([NH2+]CCN1CCC(CNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000022924516 561759618 /nfs/dbraw/zinc/75/96/18/561759618.db2.gz NYWWJUHGBUNGMO-MHZLTWQESA-N 1 0 521.727 4.376 1 0 KIAFRO COc1ccc2c(c1)CCC[C@H]([NH2+]CCN1CCC(CNS(=O)(=O)c3cccc4ccccc43)CC1)C2 ZINC000022924520 561759523 /nfs/dbraw/zinc/75/95/23/561759523.db2.gz IQJPHYKRXSTVIK-MHZLTWQESA-N 1 0 521.727 4.376 1 0 KIAFRO COc1ccc2c(c1)CCC[C@@H]([NH2+]CCN1CCC(CNS(=O)(=O)c3cccc4ccccc43)CC1)C2 ZINC000022924525 561759592 /nfs/dbraw/zinc/75/95/92/561759592.db2.gz IQJPHYKRXSTVIK-HHHXNRCGSA-N 1 0 521.727 4.376 1 0 KIAFRO COc1cccc2c1CCC[C@H]([NH2+]CCN1CCC(CNS(=O)(=O)c3cccc4ccccc43)CC1)C2 ZINC000022924531 561759546 /nfs/dbraw/zinc/75/95/46/561759546.db2.gz KPOBPQKQEHWPFI-SANMLTNESA-N 1 0 521.727 4.376 1 0 KIAFRO COc1cccc2c1CCC[C@@H]([NH2+]CCN1CCC(CNS(=O)(=O)c3cccc4ccccc43)CC1)C2 ZINC000022924535 561759504 /nfs/dbraw/zinc/75/95/04/561759504.db2.gz KPOBPQKQEHWPFI-AREMUKBSSA-N 1 0 521.727 4.376 1 0 KIAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ccc(Br)cc1F ZINC000022925294 561759728 /nfs/dbraw/zinc/75/97/28/561759728.db2.gz ZTHXTCUTPBRCGU-UHFFFAOYSA-N 1 0 504.404 4.300 1 0 KIAFRO Cc1nc(N)nc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022927081 561759870 /nfs/dbraw/zinc/75/98/70/561759870.db2.gz MPGURQFCCSFBHA-PXNSSMCTSA-N 1 0 518.628 4.456 1 0 KIAFRO O=C1CC[C@](CC[NH+]2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927723 561759933 /nfs/dbraw/zinc/75/99/33/561759933.db2.gz DFLDMBIKJAVZHG-HHHXNRCGSA-N 1 0 502.486 4.460 1 0 KIAFRO O=C1CC[C@@](CC[NH+]2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927727 561759875 /nfs/dbraw/zinc/75/98/75/561759875.db2.gz DFLDMBIKJAVZHG-MHZLTWQESA-N 1 0 502.486 4.460 1 0 KIAFRO O=C1CC[C@@](CCN2CC([N@@H+]3CC[C@@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927771 561759919 /nfs/dbraw/zinc/75/99/19/561759919.db2.gz UXOFSGJDRPUGPP-KCWPFWIISA-N 1 0 502.486 4.195 1 0 KIAFRO O=C1CC[C@@](CCN2CC([N@@H+]3CC[C@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927775 561759891 /nfs/dbraw/zinc/75/98/91/561759891.db2.gz UXOFSGJDRPUGPP-HOFKKMOUSA-N 1 0 502.486 4.195 1 0 KIAFRO C[C@@H](CN1CCN(C[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022927913 561760111 /nfs/dbraw/zinc/76/01/11/561760111.db2.gz WIPWYSHKEIYBJW-HFZDXXHNSA-N 1 0 503.518 4.419 1 0 KIAFRO C[C@H](CN1CCN(C[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022927918 561760019 /nfs/dbraw/zinc/76/00/19/561760019.db2.gz WIPWYSHKEIYBJW-QFQXNSOFSA-N 1 0 503.518 4.419 1 0 KIAFRO C[C@@H](CN1CCN(C[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022927921 561760103 /nfs/dbraw/zinc/76/01/03/561760103.db2.gz WIPWYSHKEIYBJW-LVXARBLLSA-N 1 0 503.518 4.419 1 0 KIAFRO C[C@H](CN1CCN(C[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022927925 561760116 /nfs/dbraw/zinc/76/01/16/561760116.db2.gz WIPWYSHKEIYBJW-RLWLMLJZSA-N 1 0 503.518 4.419 1 0 KIAFRO C[C@@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000022928063 561760064 /nfs/dbraw/zinc/76/00/64/561760064.db2.gz IUKVLQBINGIVDU-HFZDXXHNSA-N 1 0 520.615 4.270 1 0 KIAFRO C[C@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000022928068 561760206 /nfs/dbraw/zinc/76/02/06/561760206.db2.gz IUKVLQBINGIVDU-QFQXNSOFSA-N 1 0 520.615 4.270 1 0 KIAFRO C[C@@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000022928071 561760267 /nfs/dbraw/zinc/76/02/67/561760267.db2.gz IUKVLQBINGIVDU-LVXARBLLSA-N 1 0 520.615 4.270 1 0 KIAFRO C[C@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000022928076 561760317 /nfs/dbraw/zinc/76/03/17/561760317.db2.gz IUKVLQBINGIVDU-RLWLMLJZSA-N 1 0 520.615 4.270 1 0 KIAFRO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](CCCOc3cc(OC)c(OC)c(OC)c3)C1)CC2 ZINC000022930497 561760304 /nfs/dbraw/zinc/76/03/04/561760304.db2.gz AVRLFPCOLFWWJA-JOCHJYFZSA-N 1 0 500.636 4.021 1 0 KIAFRO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](CCCOc3cc(OC)c(OC)c(OC)c3)C1)CC2 ZINC000022930500 561760312 /nfs/dbraw/zinc/76/03/12/561760312.db2.gz AVRLFPCOLFWWJA-QFIPXVFZSA-N 1 0 500.636 4.021 1 0 KIAFRO Clc1ccc([C@@]2(Cn3ccnc3)OC[C@@H](CN3CC[NH+](CCc4ccccc4)CC3)O2)c(Cl)c1 ZINC000022933195 561760443 /nfs/dbraw/zinc/76/04/43/561760443.db2.gz OAVROFGVHVDBTQ-BVAGGSTKSA-N 1 0 501.458 4.319 1 0 KIAFRO Clc1ccc([C@]2(Cn3ccnc3)OC[C@@H](CN3CC[NH+](CCc4ccccc4)CC3)O2)c(Cl)c1 ZINC000022933198 561760522 /nfs/dbraw/zinc/76/05/22/561760522.db2.gz OAVROFGVHVDBTQ-ZEQKJWHPSA-N 1 0 501.458 4.319 1 0 KIAFRO Clc1ccc([C@@]2(Cn3ccnc3)OC[C@H](CN3CC[NH+](CCc4ccccc4)CC3)O2)c(Cl)c1 ZINC000022933202 561760397 /nfs/dbraw/zinc/76/03/97/561760397.db2.gz OAVROFGVHVDBTQ-OZXSUGGESA-N 1 0 501.458 4.319 1 0 KIAFRO Clc1ccc([C@]2(Cn3ccnc3)OC[C@H](CN3CC[NH+](CCc4ccccc4)CC3)O2)c(Cl)c1 ZINC000022933205 561760405 /nfs/dbraw/zinc/76/04/05/561760405.db2.gz OAVROFGVHVDBTQ-JYFHCDHNSA-N 1 0 501.458 4.319 1 0 KIAFRO COc1cc(OC)cc(-c2cc3cnc(NCCCN4CC[NH+](C)CC4)cc3nc2NC(=O)NC(C)(C)C)c1 ZINC000022933809 561760553 /nfs/dbraw/zinc/76/05/53/561760553.db2.gz ABQSJCCISLWTEW-UHFFFAOYSA-N 1 0 535.693 4.283 1 0 KIAFRO O[C@@H]1CCN(Cc2ccccc2I)C[C@H]1[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000022937402 561760612 /nfs/dbraw/zinc/76/06/12/561760612.db2.gz ABKRNZRWTZVQGQ-DNQXCXABSA-N 1 0 500.424 4.287 1 0 KIAFRO O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000022937405 561760736 /nfs/dbraw/zinc/76/07/36/561760736.db2.gz BRQAXBHHLAPYOC-DNQXCXABSA-N 1 0 500.424 4.287 1 0 KIAFRO O[C@@H]1CCN(Cc2ccccc2I)C[C@H]1[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000022937409 561760679 /nfs/dbraw/zinc/76/06/79/561760679.db2.gz QQNIETARODWQCM-DNQXCXABSA-N 1 0 502.440 4.206 1 0 KIAFRO O[C@@H]1CCN(Cc2ccc(I)cc2)C[C@H]1[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000022937413 561760720 /nfs/dbraw/zinc/76/07/20/561760720.db2.gz CNWRMMVDPFBJGC-DNQXCXABSA-N 1 0 502.440 4.206 1 0 KIAFRO O[C@H](Cn1cnc2c1ncnc2-c1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022937600 561760925 /nfs/dbraw/zinc/76/09/25/561760925.db2.gz GLSVGSFXOIVQAO-MHZLTWQESA-N 1 0 504.638 4.261 1 0 KIAFRO O[C@@H](Cn1cnc2c1ncnc2-c1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022937604 561760848 /nfs/dbraw/zinc/76/08/48/561760848.db2.gz GLSVGSFXOIVQAO-HHHXNRCGSA-N 1 0 504.638 4.261 1 0 KIAFRO O[C@H](Cn1cnc2c1ncnc2-c1cccs1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022937620 561760898 /nfs/dbraw/zinc/76/08/98/561760898.db2.gz MHBZKFBJJGEBGG-DEOSSOPVSA-N 1 0 510.667 4.323 1 0 KIAFRO O[C@H](Cn1cnc(-c2cccs2)c2ncnc1-2)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022937624 561760836 /nfs/dbraw/zinc/76/08/36/561760836.db2.gz JHJXZPGLFYLGMZ-DEOSSOPVSA-N 1 0 510.667 4.275 1 0 KIAFRO O[C@H](Cn1cnc(-c2ccccc2)c2ncnc1-2)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022937627 561760909 /nfs/dbraw/zinc/76/09/09/561760909.db2.gz QFTHCPHICSULPM-MHZLTWQESA-N 1 0 504.638 4.213 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1cccc(Br)c1 ZINC000022939587 561760937 /nfs/dbraw/zinc/76/09/37/561760937.db2.gz IWAYNBDAXAGXQK-UHFFFAOYSA-N 1 0 525.451 4.277 1 0 KIAFRO CC(C)(C)OC(=O)NCCCCCC[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000022940180 561760803 /nfs/dbraw/zinc/76/08/03/561760803.db2.gz XWOGNJMNMNHLLE-UHFFFAOYSA-N 1 0 536.677 4.015 1 0 KIAFRO CC(=O)NCCCCCCCCCC[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000022940218 561761079 /nfs/dbraw/zinc/76/10/79/561761079.db2.gz ALDDQQRZFYRISL-UHFFFAOYSA-N 1 0 534.705 4.187 1 0 KIAFRO Brc1cc(I)cc(COC[C@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000022941699 561761024 /nfs/dbraw/zinc/76/10/24/561761024.db2.gz LDTPAEBAUHEXMI-LJQANCHMSA-N 1 0 501.206 4.217 1 0 KIAFRO Brc1cc(I)cc(COC[C@@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000022941702 561761025 /nfs/dbraw/zinc/76/10/25/561761025.db2.gz LDTPAEBAUHEXMI-IBGZPJMESA-N 1 0 501.206 4.217 1 0 KIAFRO CCNC(=O)Nc1nc2nc(NCCCN3CC[NH+](C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000022941830 561761243 /nfs/dbraw/zinc/76/12/43/561761243.db2.gz ZAPMLUQRTGRJST-UHFFFAOYSA-N 1 0 517.465 4.189 1 0 KIAFRO Cc1cccc(C)c1C(=O)N1CCC([NH+]2CCN(Cc3ccc(I)cc3)CC2)CC1 ZINC000022941880 561761227 /nfs/dbraw/zinc/76/12/27/561761227.db2.gz QRLCJGHAWBRZAF-UHFFFAOYSA-N 1 0 517.455 4.330 1 0 KIAFRO C[NH+]1CCN(CCCOc2cc3ncnc(Nc4c5c(ccc4Cl)OCO5)c3c(OC3CCOCC3)c2)CC1 ZINC000023358069 561762011 /nfs/dbraw/zinc/76/20/11/561762011.db2.gz NNTCPBYVAUSUOH-UHFFFAOYSA-N 1 0 556.063 4.330 1 0 KIAFRO c1ccc(-c2c(-c3ccc(OCCN4CCOCC4)cc3)oc3nccc(NCCN4CC[NH2+]CC4)c32)cc1 ZINC000023359506 561762082 /nfs/dbraw/zinc/76/20/82/561762082.db2.gz WLKGPIPZNVLVAM-UHFFFAOYSA-N 1 0 527.669 4.190 1 0 KIAFRO COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NCC[NH3+])c(OC)c1 ZINC000023360002 561762078 /nfs/dbraw/zinc/76/20/78/561762078.db2.gz RWMLTVKEJBMKMC-MUUNZHRXSA-N 1 0 524.669 4.442 1 0 KIAFRO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CN1Cc1ccc(Cl)cc1 ZINC000023362168 561762120 /nfs/dbraw/zinc/76/21/20/561762120.db2.gz LETHYMIVWFEDSJ-KYJUHHDHSA-N 1 0 532.132 4.291 1 0 KIAFRO CC[NH+](CC)C[C@H]1CCCCN1CC(=O)N1c2ccc(Br)cc2C(=O)Nc2cccnc21 ZINC000023478230 561762267 /nfs/dbraw/zinc/76/22/67/561762267.db2.gz NAHUTNUVFDAUFI-GOSISDBHSA-N 1 0 500.441 4.271 1 0 KIAFRO COc1c(I)cc(C[C@H]2[NH2+]CCc3cc(O)ccc32)cc1I ZINC000025419116 561762591 /nfs/dbraw/zinc/76/25/91/561762591.db2.gz BAENDFBYSDBIFW-MRXNPFEDSA-N 1 0 521.136 4.040 1 0 KIAFRO [NH3+][C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Br)c1)C(c1ccccc1)c1ccccc1 ZINC000025967525 561763167 /nfs/dbraw/zinc/76/31/67/561763167.db2.gz PDRJRTUFUBDVDK-ZCYQVOJMSA-N 1 0 506.444 4.216 1 0 KIAFRO CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(N)=O)[C@@H]1c1ccc(OC)cc1 ZINC000025988623 561764517 /nfs/dbraw/zinc/76/45/17/561764517.db2.gz QFVSJYNKQYXIFC-QPVYNBJUSA-N 1 0 509.647 4.095 1 0 KIAFRO CCCNC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)NCCC)cc2)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000025995067 561764981 /nfs/dbraw/zinc/76/49/81/561764981.db2.gz TVLJSZWDNMGUEM-IZZNHLLZSA-N 1 0 570.627 4.318 1 0 KIAFRO CCCNC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)NCCC)cc2)[C@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000025995074 561764997 /nfs/dbraw/zinc/76/49/97/561764997.db2.gz TVLJSZWDNMGUEM-UIOOFZCWSA-N 1 0 570.627 4.318 1 0 KIAFRO CCCNC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)NCCC)cc2)[C@@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000025995081 561764988 /nfs/dbraw/zinc/76/49/88/561764988.db2.gz TVLJSZWDNMGUEM-CLJLJLNGSA-N 1 0 570.627 4.318 1 0 KIAFRO CCCNC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)NCCC)cc2)[C@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000025995088 561764991 /nfs/dbraw/zinc/76/49/91/561764991.db2.gz TVLJSZWDNMGUEM-FTJBHMTQSA-N 1 0 570.627 4.318 1 0 KIAFRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)COc2ccc(I)cc2)cc1OC ZINC000026009665 561765796 /nfs/dbraw/zinc/76/57/96/561765796.db2.gz QKSBHTIWUANQIT-UHFFFAOYSA-N 1 0 559.832 4.042 1 0 KIAFRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(NC(=O)COc2cccc(C(F)(F)F)c2)cc1OC ZINC000026013447 561765985 /nfs/dbraw/zinc/76/59/85/561765985.db2.gz YCUYWLWDYHFBMY-UHFFFAOYSA-N 1 0 501.933 4.457 1 0 KIAFRO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc(-c3nc(Br)c[nH]3)cc2Cl)cc1OC ZINC000026015826 561766229 /nfs/dbraw/zinc/76/62/29/561766229.db2.gz ZSRTVSDWWVDXRC-MRXNPFEDSA-N 1 0 510.816 4.082 1 0 KIAFRO COc1ccc(CC[NH2+]C[C@H](O)COc2ccc(-c3nc(Br)c[nH]3)cc2Cl)cc1OC ZINC000026015834 561766247 /nfs/dbraw/zinc/76/62/47/561766247.db2.gz ZSRTVSDWWVDXRC-INIZCTEOSA-N 1 0 510.816 4.082 1 0 KIAFRO CCOc1cc2c(c(OCC)c1)C(=O)N(COC(=O)c1c(Cl)ccc(OCC[NH+]3CCCC3)c1Cl)S2(=O)=O ZINC000026028014 561766898 /nfs/dbraw/zinc/76/68/98/561766898.db2.gz KJGWBXNNTCTAHR-UHFFFAOYSA-N 1 0 587.478 4.224 1 0 KIAFRO COc1ccc2nc(NCCCN3CC[NH+](CCCNc4nc5ccc(OC)nc5n5cccc45)CC3)c3cccn3c2n1 ZINC000026145906 561767151 /nfs/dbraw/zinc/76/71/51/561767151.db2.gz ASVAHVSIHWFZQT-UHFFFAOYSA-N 1 0 594.724 4.017 1 0 KIAFRO c1cc2c(NCCCN3CC[NH+](CCCNc4nc5cccnc5n5cccc45)CC3)nc3cccnc3n2c1 ZINC000026145914 561767166 /nfs/dbraw/zinc/76/71/66/561767166.db2.gz KDRFZFGRUBLJBS-UHFFFAOYSA-N 1 0 534.672 4.000 1 0 KIAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OC[C@@H](O)c2ccccn2)cc1)NC(=O)OC(C)(C)C ZINC000026145989 561767139 /nfs/dbraw/zinc/76/71/39/561767139.db2.gz RXDAGJSEFYHYBT-WWPLQOFTSA-N 1 0 680.843 4.077 1 0 KIAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OC[C@H](O)c2ccccn2)cc1)NC(=O)OC(C)(C)C ZINC000026145996 561767154 /nfs/dbraw/zinc/76/71/54/561767154.db2.gz RXDAGJSEFYHYBT-AQZMQOMZSA-N 1 0 680.843 4.077 1 0 KIAFRO CCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2C)cc1 ZINC000026146570 561767159 /nfs/dbraw/zinc/76/71/59/561767159.db2.gz JTZMIOVZMFHFEC-CEUYOYMZSA-N 1 0 638.898 4.276 1 0 KIAFRO CCC[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC1CCCCC1)c1ccc(CCCCn2ccnc2C)cc1 ZINC000026146579 561767117 /nfs/dbraw/zinc/76/71/17/561767117.db2.gz JTZMIOVZMFHFEC-ZDCRTTOTSA-N 1 0 638.898 4.276 1 0 KIAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OCCOc2cccnc2)cc1)NC(=O)OC(C)(C)C ZINC000026151653 561767663 /nfs/dbraw/zinc/76/76/63/561767663.db2.gz OFSZIOSVMKUCOI-UYEZAFAQSA-N 1 0 680.843 4.423 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[NH2+]CCc3ccccc3)c2=O)c1 ZINC000026163605 561768853 /nfs/dbraw/zinc/76/88/53/561768853.db2.gz CVFKNTQLBQXYCR-UHFFFAOYSA-N 1 0 505.565 4.153 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+]3CCC[C@H]3Cc3ccccn3)c2=O)c1 ZINC000026165433 561769064 /nfs/dbraw/zinc/76/90/64/561769064.db2.gz ZDCWXVJQXPCCNL-DEOSSOPVSA-N 1 0 546.618 4.423 1 0 KIAFRO COc1ccc(OC[C@@H](O)C[NH+]2CCC(N(C(=O)c3ccc(OC)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000026166538 561769289 /nfs/dbraw/zinc/76/92/89/561769289.db2.gz FPNLFNVLKBNJOP-VWLOTQADSA-N 1 0 508.590 4.394 1 0 KIAFRO COc1ccc(OC[C@H](O)C[NH+]2CCC(N(C(=O)c3ccc(OC)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000026166542 561769355 /nfs/dbraw/zinc/76/93/55/561769355.db2.gz FPNLFNVLKBNJOP-RUZDIDTESA-N 1 0 508.590 4.394 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+]3CCC[C@@H]3Cc3ccccn3)c2=O)c1 ZINC000026168963 561769577 /nfs/dbraw/zinc/76/95/77/561769577.db2.gz ZDCWXVJQXPCCNL-XMMPIXPASA-N 1 0 546.618 4.423 1 0 KIAFRO [NH2+]=C(c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)CC2)cc1)N1CCCC1 ZINC000026172734 561770307 /nfs/dbraw/zinc/77/03/07/561770307.db2.gz DIGYVARAECKUFB-UHFFFAOYSA-N 1 0 555.498 4.170 1 0 KIAFRO [NH2+]=C(c1ccc(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc1)N1CCCCC1 ZINC000026173857 561770556 /nfs/dbraw/zinc/77/05/56/561770556.db2.gz DEYBHAHWSXIQNE-UHFFFAOYSA-N 1 0 531.103 4.399 1 0 KIAFRO CCc1c(-c2cccc(OC)c2)c(=O)n(CC[N@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000026174142 561770617 /nfs/dbraw/zinc/77/06/17/561770617.db2.gz CEBFWYFIGNGBJH-UHFFFAOYSA-N 1 0 534.607 4.144 1 0 KIAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)C[C@@H]2CC(=O)N2CCCCC2)cc1 ZINC000026176130 561770876 /nfs/dbraw/zinc/77/08/76/561770876.db2.gz AUBOHVUUJZWPDP-VWLOTQADSA-N 1 0 628.220 4.165 1 0 KIAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)C[C@H]2CC(=O)N2CCCCC2)cc1 ZINC000026176137 561770873 /nfs/dbraw/zinc/77/08/73/561770873.db2.gz AUBOHVUUJZWPDP-RUZDIDTESA-N 1 0 628.220 4.165 1 0 KIAFRO [NH2+]=C(c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2)cc1)N1CCCC1 ZINC000026179607 561771368 /nfs/dbraw/zinc/77/13/68/561771368.db2.gz RKWPCWLZTAQWDI-UHFFFAOYSA-N 1 0 517.076 4.123 1 0 KIAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)c(F)c3)n2)cc1 ZINC000026183062 561772082 /nfs/dbraw/zinc/77/20/82/561772082.db2.gz BQMLMSARZMEBIQ-PMERELPUSA-N 1 0 590.656 4.198 1 0 KIAFRO [NH2+]=C(c1ccc(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc1)N1CCCC1 ZINC000026184894 561772400 /nfs/dbraw/zinc/77/24/00/561772400.db2.gz IJEMFXIEHRGLGV-UHFFFAOYSA-N 1 0 517.076 4.009 1 0 KIAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3cccc(F)c3)n2)cc1 ZINC000026184944 561772422 /nfs/dbraw/zinc/77/24/22/561772422.db2.gz XKIAIGOKZQNHID-PMERELPUSA-N 1 0 572.666 4.059 1 0 KIAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)cc3)n2)cc1 ZINC000026186522 561772761 /nfs/dbraw/zinc/77/27/61/561772761.db2.gz XQALMABJADZMJQ-LJAQVGFWSA-N 1 0 558.639 4.135 1 0 KIAFRO COc1ccc(-c2cnn(-c3ccc(S(=O)(=O)Nc4ccc(CC[NH2+]C[C@H](O)c5cccnc5)cc4)cc3)n2)cc1F ZINC000026186979 561772767 /nfs/dbraw/zinc/77/27/67/561772767.db2.gz TYRWFUXOSSJFMQ-LJAQVGFWSA-N 1 0 588.665 4.144 1 0 KIAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)c(F)c3)n2)cc1 ZINC000026187697 561772806 /nfs/dbraw/zinc/77/28/06/561772806.db2.gz WHTFIFFVTHLNDG-LJAQVGFWSA-N 1 0 576.629 4.274 1 0 KIAFRO CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCC[NH3+])C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1 ZINC000026189816 561773298 /nfs/dbraw/zinc/77/32/98/561773298.db2.gz HYMDGDBTGZXQST-VNDOHOEKSA-N 1 0 613.869 4.409 1 0 KIAFRO O=C(c1ccco1)N1CCN(c2ccc(=O)n(CCCCCCC[NH+]3CCN(c4ccccc4Cl)CC3)n2)CC1 ZINC000026189819 561773331 /nfs/dbraw/zinc/77/33/31/561773331.db2.gz LTTAECSQJNVPAI-UHFFFAOYSA-N 1 0 567.134 4.225 1 0 KIAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cccc3F)n2)cc1 ZINC000026247582 561773653 /nfs/dbraw/zinc/77/36/53/561773653.db2.gz CJKJKGXQVYGNAU-PMERELPUSA-N 1 0 590.656 4.198 1 0 KIAFRO COc1ccccc1OCCN1CCN(c2ccc(=O)n(CCCCCC[NH+]3CCN(c4ccccc4Cl)CC3)n2)CC1 ZINC000026247618 561773609 /nfs/dbraw/zinc/77/36/09/561773609.db2.gz UHUOEEIBKSZATP-UHFFFAOYSA-N 1 0 609.215 4.489 1 0 KIAFRO COc1ccccc1OCCN1CCN(c2ccc(=O)n(CCCCC[NH+]3CCN(c4ccccc4Cl)CC3)n2)CC1 ZINC000026247625 561773615 /nfs/dbraw/zinc/77/36/15/561773615.db2.gz WAKBHTAFKNUQIH-UHFFFAOYSA-N 1 0 595.188 4.099 1 0 KIAFRO O=C(c1ccco1)N1CCN(c2cnn(CCCCCC[NH+]3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026248531 561773675 /nfs/dbraw/zinc/77/36/75/561773675.db2.gz JBXRQRQDWVFUDD-UHFFFAOYSA-N 1 0 587.552 4.488 1 0 KIAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(F)c(F)c3)n2)cc1 ZINC000026249531 561773909 /nfs/dbraw/zinc/77/39/09/561773909.db2.gz YMJNZSRXRGBYCR-PMERELPUSA-N 1 0 606.655 4.186 1 0 KIAFRO CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3cccnc3)cc2)cc1 ZINC000026251525 561774245 /nfs/dbraw/zinc/77/42/45/561774245.db2.gz NOBXTXIDJTUPFU-SANMLTNESA-N 1 0 569.728 4.156 1 0 KIAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)cc3)n2)cc1 ZINC000026252797 561774421 /nfs/dbraw/zinc/77/44/21/561774421.db2.gz OGAMFQMNCVZDFQ-PMERELPUSA-N 1 0 572.666 4.059 1 0 KIAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cc(F)cc3F)n2)cc1 ZINC000026254840 561774707 /nfs/dbraw/zinc/77/47/07/561774707.db2.gz FASMAUWLJXUAIL-PMERELPUSA-N 1 0 608.646 4.337 1 0 KIAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3cccc(F)c3)n2)cc1 ZINC000026254966 561774731 /nfs/dbraw/zinc/77/47/31/561774731.db2.gz VPWYLAXSAWMVAG-LJAQVGFWSA-N 1 0 558.639 4.135 1 0 KIAFRO COc1ccccc1OCCN1CCN(c2cnn(CCCCCC[NH+]3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000026255102 561774750 /nfs/dbraw/zinc/77/47/50/561774750.db2.gz OHVZDCSFRWEXIX-UHFFFAOYSA-N 1 0 639.241 4.498 1 0 KIAFRO CS(=O)(=O)Nc1ccc(CC[N@H+](CCOc2ccc(NS(C)(=O)=O)cc2)Cc2ccc(Cl)cc2)cc1 ZINC000026256047 561774824 /nfs/dbraw/zinc/77/48/24/561774824.db2.gz ZQWNSZLRRSGXAI-UHFFFAOYSA-N 1 0 552.118 4.207 1 0 KIAFRO CCCCOc1ccc(S(=O)(=O)N2CC[C@@H]([NH2+]C[C@H](O)COc3cccc4[nH]c5ccccc5c43)C2)cc1 ZINC000026258103 561775078 /nfs/dbraw/zinc/77/50/78/561775078.db2.gz MBYVFRIMCDYULB-YADHBBJMSA-N 1 0 537.682 4.293 1 0 KIAFRO CCCCOc1ccc(S(=O)(=O)N2CC[C@H]([NH2+]C[C@H](O)COc3cccc4[nH]c5ccccc5c43)C2)cc1 ZINC000026258112 561775137 /nfs/dbraw/zinc/77/51/37/561775137.db2.gz MBYVFRIMCDYULB-VXKWHMMOSA-N 1 0 537.682 4.293 1 0 KIAFRO O=C(c1ccco1)N1CCN(c2cnn(CCCCC[NH+]3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026260267 561775510 /nfs/dbraw/zinc/77/55/10/561775510.db2.gz IJUJRUSDFQRAOA-UHFFFAOYSA-N 1 0 573.525 4.098 1 0 KIAFRO COc1ccccc1OCCN1CCN(c2ccc(=O)n(CCCCCCC[NH+]3CCN(c4ccccc4OC)CC3)n2)CC1 ZINC000026260784 561775430 /nfs/dbraw/zinc/77/54/30/561775430.db2.gz BMFAPCULDYLMPQ-UHFFFAOYSA-N 1 0 618.823 4.234 1 0 KIAFRO COc1ccccc1OCCN1CCN(c2cnn(CCCC[NH+]3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026260799 561775499 /nfs/dbraw/zinc/77/54/99/561775499.db2.gz BJRHEZVKWNFBJQ-UHFFFAOYSA-N 1 0 615.606 4.362 1 0 KIAFRO COc1ccccc1OCCN1CCN(c2cnn(CCCCC[NH+]3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000026262175 561775840 /nfs/dbraw/zinc/77/58/40/561775840.db2.gz NFJIMCVKJFRLCU-UHFFFAOYSA-N 1 0 625.214 4.107 1 0 KIAFRO COc1cccc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCN5CC[NH+](C)CC5)n(C)c4)n(CCC(C)C)c3)n(C)c2)c1 ZINC000026263565 561775945 /nfs/dbraw/zinc/77/59/45/561775945.db2.gz NBIJLPPJAGKKIV-UHFFFAOYSA-N 1 0 713.884 4.344 1 0 KIAFRO CC(=O)Nc1nc(C(=O)Nc2cc(C(=O)Nc3nc(C(=O)NCCC[NH+](C)C)c(C(C)C)s3)n(C)c2)c(C(C)C)s1 ZINC000026264256 561776098 /nfs/dbraw/zinc/77/60/98/561776098.db2.gz CAPYEDLGVIOOMB-UHFFFAOYSA-N 1 0 602.787 4.329 1 0 KIAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCNC(=O)c2ccc3c(c2)C(=O)N(c2cccc(F)c2)C3=O)CC1 ZINC000026266013 561776362 /nfs/dbraw/zinc/77/63/62/561776362.db2.gz WALJAWMIJWFJHE-UHFFFAOYSA-N 1 0 544.627 4.356 1 0 KIAFRO COc1cccc(C(=O)Nc2nc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)c(C(C)C)s2)c1 ZINC000026274533 561777887 /nfs/dbraw/zinc/77/78/87/561777887.db2.gz ZFKZYIAFDKQFTR-UHFFFAOYSA-N 1 0 648.790 4.391 1 0 KIAFRO [NH3+]CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 ZINC000026274803 561778070 /nfs/dbraw/zinc/77/80/70/561778070.db2.gz ORNVPHMRSBGEQV-NDEPHWFRSA-N 1 0 513.686 4.485 1 0 KIAFRO CC(C)[C@@H]1NC(=O)CCCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026276777 561778477 /nfs/dbraw/zinc/77/84/77/561778477.db2.gz NLFSULIAFLPDQL-FVDMJMFVSA-N 1 0 626.883 4.354 1 0 KIAFRO CC(C)[C@@H]1NC(=O)CCCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026276782 561778519 /nfs/dbraw/zinc/77/85/19/561778519.db2.gz NLFSULIAFLPDQL-RVGVYMJNSA-N 1 0 626.883 4.354 1 0 KIAFRO COc1ccc(N2C(=O)c3ccc(C(=O)NCCC[NH+]4CCN(c5ccccc5OC(C)C)CC4)cc3C2=O)cc1 ZINC000026278525 561778738 /nfs/dbraw/zinc/77/87/38/561778738.db2.gz MVYCXEXQTMBCNB-UHFFFAOYSA-N 1 0 556.663 4.225 1 0 KIAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(O)CCC[N@@H+]([C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 ZINC000026278645 561778722 /nfs/dbraw/zinc/77/87/22/561778722.db2.gz SJWQFWLXMXSQHA-ZMGGXKTPSA-N 1 0 599.772 4.335 1 0 KIAFRO COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCC[NH+](C)C)c2)cc1 ZINC000026280164 561778808 /nfs/dbraw/zinc/77/88/08/561778808.db2.gz CQVCPSUMZXOSTH-JGCGQSQUSA-N 1 0 577.630 4.170 1 0 KIAFRO COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCC[NH+](C)C)c2)cc1 ZINC000026280171 561778866 /nfs/dbraw/zinc/77/88/66/561778866.db2.gz CQVCPSUMZXOSTH-YTTGMZPUSA-N 1 0 577.630 4.170 1 0 KIAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N(C)C)cc2)C3=O)CC1 ZINC000026282477 561779294 /nfs/dbraw/zinc/77/92/94/561779294.db2.gz OTYOCRKXZWOSNV-UHFFFAOYSA-N 1 0 569.706 4.283 1 0 KIAFRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@]1(O)CC[N@@H+]([C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 ZINC000026282839 561779314 /nfs/dbraw/zinc/77/93/14/561779314.db2.gz VDBGTHXNHRANMM-IPYNOVJJSA-N 1 0 718.895 4.488 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000026286158 561779770 /nfs/dbraw/zinc/77/97/70/561779770.db2.gz CWADTSDGYTVLDK-UHFFFAOYSA-N 1 0 521.683 4.098 1 0 KIAFRO CC(C)[C@@H]1NC(=O)c2ccccc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026290163 561780544 /nfs/dbraw/zinc/78/05/44/561780544.db2.gz GRKWALBGUZROQR-YJCLFGMUSA-N 1 0 676.899 4.486 1 0 KIAFRO CC(C)[C@@H]1NC(=O)c2ccccc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026290168 561780516 /nfs/dbraw/zinc/78/05/16/561780516.db2.gz GRKWALBGUZROQR-MRUVNSNJSA-N 1 0 676.899 4.486 1 0 KIAFRO COc1ccccc1C(=O)N1CC[C@@](CC[NH+]2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000026291210 561780578 /nfs/dbraw/zinc/78/05/78/561780578.db2.gz YNLIOWZCZIJVMD-HHHXNRCGSA-N 1 0 518.485 4.192 1 0 KIAFRO COc1ccccc1C(=O)N1CC[C@](CC[NH+]2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000026291215 561780619 /nfs/dbraw/zinc/78/06/19/561780619.db2.gz YNLIOWZCZIJVMD-MHZLTWQESA-N 1 0 518.485 4.192 1 0 KIAFRO COc1ccc(C(=O)N[C@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2OC(F)(F)F)cc1 ZINC000026293111 561780910 /nfs/dbraw/zinc/78/09/10/561780910.db2.gz SEPHIJBWFIYMAM-QHCPKHFHSA-N 1 0 507.553 4.302 1 0 KIAFRO CC(C)[C@@H]1NC(=O)/C=C\CCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026295800 561781533 /nfs/dbraw/zinc/78/15/33/561781533.db2.gz QTAYUWFZSBEHPK-XEGYTTTESA-N 1 0 624.867 4.130 1 0 KIAFRO CC(C)[C@@H]1NC(=O)/C=C\CCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026295805 561781439 /nfs/dbraw/zinc/78/14/39/561781439.db2.gz QTAYUWFZSBEHPK-JHUNIZGFSA-N 1 0 624.867 4.130 1 0 KIAFRO COc1ccc(C(=O)N[C@@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2I)cc1 ZINC000026296399 561781639 /nfs/dbraw/zinc/78/16/39/561781639.db2.gz XVQPYZNTZJGRPF-HSZRJFAPSA-N 1 0 549.453 4.008 1 0 KIAFRO COc1ccc(C(=O)N[C@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2I)cc1 ZINC000026296403 561781637 /nfs/dbraw/zinc/78/16/37/561781637.db2.gz XVQPYZNTZJGRPF-QHCPKHFHSA-N 1 0 549.453 4.008 1 0 KIAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3C(=O)NCCCCCO)cc2)C1=O ZINC000026296620 561781585 /nfs/dbraw/zinc/78/15/85/561781585.db2.gz OBJLULQYYJUQKF-GDLZYMKVSA-N 1 0 570.734 4.338 1 0 KIAFRO CCNC(=O)c1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)CC(C)(C)[NH3+])C2=O)cc1 ZINC000026297055 561781731 /nfs/dbraw/zinc/78/17/31/561781731.db2.gz AVOFTDVLDSVXTJ-AREMUKBSSA-N 1 0 512.654 4.195 1 0 KIAFRO COc1ccc(C(=O)N[C@H](C(=O)NCC2CC[NH+](C(C)C)CC2)c2ccccc2Br)cc1 ZINC000026376464 561782170 /nfs/dbraw/zinc/78/21/70/561782170.db2.gz SXCXDUPHHNAQCB-QHCPKHFHSA-N 1 0 502.453 4.165 1 0 KIAFRO CC1(C)[C@@]2(C)CC[C@]1(C(=O)O[C@@H]1c3c(ccc4cc(C[NH3+])c(=O)oc43)OC(C)(C)[C@@H]1OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)OC2=O ZINC000026376531 561782190 /nfs/dbraw/zinc/78/21/90/561782190.db2.gz NMSGTRRLTOSFHC-LJOHMEHOSA-N 1 0 651.709 4.163 1 0 KIAFRO NC(=[NH2+])c1cccc(O[C@@H](C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c2ccccc2)c1 ZINC000026377654 561782461 /nfs/dbraw/zinc/78/24/61/561782461.db2.gz DMOGGQFWJPSOIQ-RUZDIDTESA-N 1 0 518.570 4.183 1 0 KIAFRO NC(=[NH2+])c1cccc(O[C@H](C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c2ccccc2)c1 ZINC000026377656 561782447 /nfs/dbraw/zinc/78/24/47/561782447.db2.gz DMOGGQFWJPSOIQ-VWLOTQADSA-N 1 0 518.570 4.183 1 0 KIAFRO NC(=[NH2+])c1cccc(O[C@@H](C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2ccccc2)c1 ZINC000026377658 561782622 /nfs/dbraw/zinc/78/26/22/561782622.db2.gz IXBONMLTFOLTCS-RUZDIDTESA-N 1 0 500.580 4.044 1 0 KIAFRO NC(=[NH2+])c1cccc(O[C@H](C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2ccccc2)c1 ZINC000026377660 561782616 /nfs/dbraw/zinc/78/26/16/561782616.db2.gz IXBONMLTFOLTCS-VWLOTQADSA-N 1 0 500.580 4.044 1 0 KIAFRO CN(C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)N[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000026379461 561783069 /nfs/dbraw/zinc/78/30/69/561783069.db2.gz JTQLNYJZPDKDQD-MMINWYLUSA-N 1 0 581.760 4.099 1 0 KIAFRO CN(C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)N[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000026379464 561783077 /nfs/dbraw/zinc/78/30/77/561783077.db2.gz JTQLNYJZPDKDQD-DKGRHVEHSA-N 1 0 581.760 4.099 1 0 KIAFRO CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCC[NH2+]Cc1ccccc1 ZINC000026380613 561783373 /nfs/dbraw/zinc/78/33/73/561783373.db2.gz PNZZCQMJGBNHBM-ZEQRLZLVSA-N 1 0 564.818 4.001 1 0 KIAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](Cc3ccc4ccccc4c3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000026385230 561784309 /nfs/dbraw/zinc/78/43/09/561784309.db2.gz XUVNVRTUPCWABM-YQAAHHDASA-N 1 0 692.923 4.151 1 0 KIAFRO CC(C)[C@H](NC(=O)c1cc(=O)c2ccccc2o1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026386231 561784405 /nfs/dbraw/zinc/78/44/05/561784405.db2.gz KECQKQUDKBXADS-YYOAKOJNSA-N 1 0 672.867 4.431 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@H]1CCOC1 ZINC000026386685 561784537 /nfs/dbraw/zinc/78/45/37/561784537.db2.gz JPWJMZNJZWAWDA-UEMRSFKDSA-N 1 0 683.894 4.254 1 0 KIAFRO CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCN1CC[NH2+]CC1)C(C)C ZINC000026387133 561784720 /nfs/dbraw/zinc/78/47/20/561784720.db2.gz NAKCUPOFVUSMGI-MNARXWEYSA-N 1 0 753.009 4.360 1 0 KIAFRO CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCC[NH3+])C(C)C ZINC000026387636 561784796 /nfs/dbraw/zinc/78/47/96/561784796.db2.gz VWEJKKZJZMBHBR-DYNYTAQWSA-N 1 0 683.902 4.413 1 0 KIAFRO CCOP(=O)(OCC)[C@H](Cc1ccc(C(N)=[NH2+])cc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000026387782 561784891 /nfs/dbraw/zinc/78/48/91/561784891.db2.gz LSYDWNGMKHZBKN-XZOQPEGZSA-N 1 0 530.562 4.023 1 0 KIAFRO NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)N(CCCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000026388371 561785063 /nfs/dbraw/zinc/78/50/63/561785063.db2.gz JWHHJRZCMGHCBT-UHFFFAOYSA-N 1 0 527.673 4.074 1 0 KIAFRO CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCC[NH3+])C1CCC(N(CCc2c[nH]c3ccccc23)C(C)=O)CC1 ZINC000026389961 561785516 /nfs/dbraw/zinc/78/55/16/561785516.db2.gz WGMSKBKPYGRORT-HSYSVOPXSA-N 1 0 559.755 4.185 1 0 KIAFRO NC([NH3+])c1ccc([C@@H](NC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)Cc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026391466 561785784 /nfs/dbraw/zinc/78/57/84/561785784.db2.gz OFZKSIQUUQETAS-NHZFLZHXSA-N 1 0 691.747 4.179 1 0 KIAFRO NC([NH3+])c1ccc([C@H](NC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)Cc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026391471 561785770 /nfs/dbraw/zinc/78/57/70/561785770.db2.gz OFZKSIQUUQETAS-BFGHFXMOSA-N 1 0 691.747 4.179 1 0 KIAFRO CC(C)[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026391582 561785954 /nfs/dbraw/zinc/78/59/54/561785954.db2.gz COYUFXKETXXNHC-RTNFZYQOSA-N 1 0 656.872 4.268 1 0 KIAFRO C[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](c1ccc(C(N)[NH3+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026391810 561785978 /nfs/dbraw/zinc/78/59/78/561785978.db2.gz CKKWTUXLFYKSFE-ZIRCGOFTSA-N 1 0 730.759 4.393 1 0 KIAFRO C[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](c1ccc(C(N)[NH3+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026391816 561785976 /nfs/dbraw/zinc/78/59/76/561785976.db2.gz CKKWTUXLFYKSFE-SZVHVWOVSA-N 1 0 730.759 4.393 1 0 KIAFRO NC(=[NH2+])Nc1ccc(C(=O)NCC2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000026392111 561786047 /nfs/dbraw/zinc/78/60/47/561786047.db2.gz MVSOMYSOBLPTHP-UHFFFAOYSA-N 1 0 512.658 4.366 1 0 KIAFRO CCOC(=O)C[C@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000026393926 561786347 /nfs/dbraw/zinc/78/63/47/561786347.db2.gz IGKWNYOELQVDDA-RPLLCQBOSA-N 1 0 533.713 4.232 1 0 KIAFRO NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)NC3CCC(c4ccccc4)(c4ccccc4)CC3)CC2)cc1 ZINC000026394091 561786402 /nfs/dbraw/zinc/78/64/02/561786402.db2.gz NLORZRJDENYJNB-UHFFFAOYSA-N 1 0 553.711 4.458 1 0 KIAFRO O=C(NCCCC[NH2+]CCCNC(=O)c1cnc2cc(C(F)(F)F)ccc2c1O)c1cnc2cc(C(F)(F)F)ccc2c1O ZINC000026394732 561786557 /nfs/dbraw/zinc/78/65/57/561786557.db2.gz BUDIVFXIMBKCST-UHFFFAOYSA-N 1 0 623.554 4.327 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H]1CCOC1 ZINC000026395605 561786952 /nfs/dbraw/zinc/78/69/52/561786952.db2.gz JPWJMZNJZWAWDA-DRNYJLRZSA-N 1 0 683.894 4.254 1 0 KIAFRO CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)[NH2+]C(C)(C)C)C(C)C)C(=O)NCc1ccccn1 ZINC000026397736 561787500 /nfs/dbraw/zinc/78/75/00/561787500.db2.gz KOSXTOOZRZTOOJ-SSDNOSSOSA-N 1 0 601.877 4.484 1 0 KIAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000026400228 561788060 /nfs/dbraw/zinc/78/80/60/561788060.db2.gz FYXKKUVBYAGWKK-VIJVRHQBSA-N 1 0 530.713 4.100 1 0 KIAFRO CCOC(=O)C[C@@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000026403297 561788904 /nfs/dbraw/zinc/78/89/04/561788904.db2.gz IGKWNYOELQVDDA-SHQCIBLASA-N 1 0 533.713 4.232 1 0 KIAFRO C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026476771 561791196 /nfs/dbraw/zinc/79/11/96/561791196.db2.gz GYFYCGMUNLSJCM-RWIFEVTBSA-N 1 0 702.705 4.120 1 0 KIAFRO C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026476781 561791180 /nfs/dbraw/zinc/79/11/80/561791180.db2.gz GYFYCGMUNLSJCM-IFDYJGHISA-N 1 0 702.705 4.120 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](C(C)(C)c2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026479339 561791586 /nfs/dbraw/zinc/79/15/86/561791586.db2.gz WPNGOVIGRGIGBK-SJOQPYOASA-N 1 0 681.878 4.348 1 0 KIAFRO C=C1[NH2+]C(=C)C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC ZINC000026480633 561791663 /nfs/dbraw/zinc/79/16/63/561791663.db2.gz GWEZDUHNKUFHPP-XTRDBKMLSA-N 1 0 564.538 4.341 1 0 KIAFRO C=C1[NH2+]C(=C)C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC ZINC000026480641 561791635 /nfs/dbraw/zinc/79/16/35/561791635.db2.gz GWEZDUHNKUFHPP-ZYBJGNRLSA-N 1 0 564.538 4.341 1 0 KIAFRO C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026483194 561792034 /nfs/dbraw/zinc/79/20/34/561792034.db2.gz WVIYEPAEAMCJFP-KPCGJRQSSA-N 1 0 688.678 4.250 1 0 KIAFRO C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026483201 561792011 /nfs/dbraw/zinc/79/20/11/561792011.db2.gz WVIYEPAEAMCJFP-VUECSZSYSA-N 1 0 688.678 4.250 1 0 KIAFRO C=C1[NH2+]C(=C)C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2Cl)C1C(=O)OCC ZINC000026485669 561792406 /nfs/dbraw/zinc/79/24/06/561792406.db2.gz UKWFDKQMIVHFMB-APHLTRPNSA-N 1 0 545.013 4.366 1 0 KIAFRO C=C1[NH2+]C(=C)C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2Cl)C1C(=O)OCC ZINC000026485678 561792416 /nfs/dbraw/zinc/79/24/16/561792416.db2.gz UKWFDKQMIVHFMB-CYBWEPMMSA-N 1 0 545.013 4.366 1 0 KIAFRO CC(C)(c1cc2cnccc2o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCCC(F)(F)F)C1 ZINC000026488361 561792889 /nfs/dbraw/zinc/79/28/89/561792889.db2.gz WKLLZUFFKHRQAI-ISNJGAFBSA-N 1 0 737.820 4.338 1 0 KIAFRO CCCOc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1-c1nc2c3c[nH]nc3nc(NCc3ccc(OC)c(Cl)c3)c2c(=O)[nH]1 ZINC000026489498 561793038 /nfs/dbraw/zinc/79/30/38/561793038.db2.gz MMXXOAJMKXLKTQ-LJQANCHMSA-N 1 0 667.192 4.249 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](C(C)(C)c2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1O ZINC000026490415 561793146 /nfs/dbraw/zinc/79/31/46/561793146.db2.gz MUULRSITXOVVFK-WGAQAMEHSA-N 1 0 697.877 4.185 1 0 KIAFRO COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCC[NH+]2CCC(C(N)=O)CC2)cc(OC)c1 ZINC000026490480 561793285 /nfs/dbraw/zinc/79/32/85/561793285.db2.gz PXAKOKFPCUPIFG-UHFFFAOYSA-N 1 0 504.027 4.069 1 0 KIAFRO CC(C)CNC(=O)[C@@H]1C[N@@H+](C(C)(C)c2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1O ZINC000026490799 561793276 /nfs/dbraw/zinc/79/32/76/561793276.db2.gz PCQQCKRYZKOPFN-FNJVQNSVSA-N 1 0 697.877 4.042 1 0 KIAFRO C=C1[NH2+]C(=C)C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OCCOC ZINC000026491670 561793417 /nfs/dbraw/zinc/79/34/17/561793417.db2.gz OUSMFQIZIQBZKB-BSSRNLCFSA-N 1 0 608.591 4.358 1 0 KIAFRO C=C1[NH2+]C(=C)C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OCCOC ZINC000026491676 561793419 /nfs/dbraw/zinc/79/34/19/561793419.db2.gz OUSMFQIZIQBZKB-GUNDDFSMSA-N 1 0 608.591 4.358 1 0 KIAFRO C=C1[NH2+]C(=C)C(C(=O)OCCOC)[C@@H](c2ccccc2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026493005 561793676 /nfs/dbraw/zinc/79/36/76/561793676.db2.gz QXASHCDLFNEDOW-CHTIKVTKSA-N 1 0 589.066 4.383 1 0 KIAFRO C=C1[NH2+]C(=C)C(C(=O)OCCOC)[C@H](c2ccccc2Cl)C1C(=O)OCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000026493009 561793654 /nfs/dbraw/zinc/79/36/54/561793654.db2.gz QXASHCDLFNEDOW-NJEMLTPYSA-N 1 0 589.066 4.383 1 0 KIAFRO CC(C)(c1cc2cnccc2o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NC2CCCC2)C1 ZINC000026493411 561793774 /nfs/dbraw/zinc/79/37/74/561793774.db2.gz YCWHOUFNTCROPW-ZVFWFJJOSA-N 1 0 709.888 4.329 1 0 KIAFRO CC(C)(C)CNC(=O)[C@@H]1C[N@@H+](C(C)(C)c2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1O ZINC000026493417 561793777 /nfs/dbraw/zinc/79/37/77/561793777.db2.gz YGCFCMYXBQLPMM-FNJVQNSVSA-N 1 0 711.904 4.432 1 0 KIAFRO COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCC[NH+]2CCC(NC(N)=O)CC2)cc(OC)c1 ZINC000026493576 561793897 /nfs/dbraw/zinc/79/38/97/561793897.db2.gz VVTJYRRXWKHAFQ-UHFFFAOYSA-N 1 0 519.042 4.004 1 0 KIAFRO C=C1[NH2+]C(=C)C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2Cl)C1C(=O)OC[C@@H]1CCCO1 ZINC000026493632 561793861 /nfs/dbraw/zinc/79/38/61/561793861.db2.gz YIXDISNOXXWEJR-YGXFEDNFSA-N 1 0 587.050 4.483 1 0 KIAFRO C=C1[NH2+]C(=C)C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2Cl)C1C(=O)OC[C@@H]1CCCO1 ZINC000026493636 561793880 /nfs/dbraw/zinc/79/38/80/561793880.db2.gz YIXDISNOXXWEJR-DJEVIJOISA-N 1 0 587.050 4.483 1 0 KIAFRO C=C1[NH2+]C(=C)C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2Cl)C1C(=O)OC[C@H]1CCCO1 ZINC000026493640 561793926 /nfs/dbraw/zinc/79/39/26/561793926.db2.gz YIXDISNOXXWEJR-DPQDSCJVSA-N 1 0 587.050 4.483 1 0 KIAFRO C=C1[NH2+]C(=C)C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2Cl)C1C(=O)OC[C@H]1CCCO1 ZINC000026493645 561793906 /nfs/dbraw/zinc/79/39/06/561793906.db2.gz YIXDISNOXXWEJR-JWIFEJHCSA-N 1 0 587.050 4.483 1 0 KIAFRO C=C1[NH2+]C(=C)C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2Cl)C1C(=O)OC ZINC000026493674 561793908 /nfs/dbraw/zinc/79/39/08/561793908.db2.gz VAVKQHXJPCPJLS-APHLTRPNSA-N 1 0 545.013 4.366 1 0 KIAFRO C=C1[NH2+]C(=C)C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2Cl)C1C(=O)OC ZINC000026493678 561793878 /nfs/dbraw/zinc/79/38/78/561793878.db2.gz VAVKQHXJPCPJLS-CYBWEPMMSA-N 1 0 545.013 4.366 1 0 KIAFRO O=C1N(CCCC(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000026495274 561794172 /nfs/dbraw/zinc/79/41/72/561794172.db2.gz YAWRIOMDGOIDPB-SANMLTNESA-N 1 0 591.656 4.333 1 0 KIAFRO CCCN(C(=O)OC)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026497179 561794598 /nfs/dbraw/zinc/79/45/98/561794598.db2.gz LQACCDOIKFQVHE-XMMPIXPASA-N 1 0 501.693 4.424 1 0 KIAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2C(c2ccccc2)c2ccccc2)C(=O)c2nccs2)C1 ZINC000026497770 561794701 /nfs/dbraw/zinc/79/47/01/561794701.db2.gz JYUFNTNFKVETKI-WROWLIHZSA-N 1 0 719.912 4.310 1 0 KIAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2C(c2ccccc2)c2ccccc2)C(=O)c2nccs2)C1 ZINC000026497775 561794702 /nfs/dbraw/zinc/79/47/02/561794702.db2.gz JYUFNTNFKVETKI-YRGOHLIBSA-N 1 0 719.912 4.310 1 0 KIAFRO COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CC[NH+](CCCNS(C)(=O)=O)CC2)cc(OC)c1 ZINC000026498266 561794772 /nfs/dbraw/zinc/79/47/72/561794772.db2.gz DXULJUSBHJWIDG-UHFFFAOYSA-N 1 0 568.136 4.133 1 0 KIAFRO CCOC(=O)N(CC)C1CC[NH+](CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026498441 561794803 /nfs/dbraw/zinc/79/48/03/561794803.db2.gz FUUQBKMKRDQXBE-XMMPIXPASA-N 1 0 501.693 4.424 1 0 KIAFRO COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CC[NH+](CCN(C)S(C)(=O)=O)CC2)cc(OC)c1 ZINC000026499279 561795044 /nfs/dbraw/zinc/79/50/44/561795044.db2.gz XZKKPBVSEZZNID-UHFFFAOYSA-N 1 0 568.136 4.085 1 0 KIAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2C(c2ccccc2)c2ccccc2)C(=O)c2nccs2)C1 ZINC000026499817 561795080 /nfs/dbraw/zinc/79/50/80/561795080.db2.gz JYUFNTNFKVETKI-RHLYCORQSA-N 1 0 719.912 4.310 1 0 KIAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2C(c2ccccc2)c2ccccc2)C(=O)c2nccs2)C1 ZINC000026499822 561795143 /nfs/dbraw/zinc/79/51/43/561795143.db2.gz JYUFNTNFKVETKI-NHJGKXACSA-N 1 0 719.912 4.310 1 0 KIAFRO CN(C[C@@H](CC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026501090 561795452 /nfs/dbraw/zinc/79/54/52/561795452.db2.gz SBGKQWHYEYPEJC-HSZRJFAPSA-N 1 0 501.693 4.470 1 0 KIAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccc(Cl)c(Cl)c3)C(=O)[C@H]2Cc2ccccc2)C(=O)c2nccs2)C1 ZINC000026502315 561795806 /nfs/dbraw/zinc/79/58/06/561795806.db2.gz YPBNWRJKYNSCAT-SAAIGDAKSA-N 1 0 712.704 4.028 1 0 KIAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccc(Cl)c(Cl)c3)C(=O)[C@H]2Cc2ccccc2)C(=O)c2nccs2)C1 ZINC000026502319 561795798 /nfs/dbraw/zinc/79/57/98/561795798.db2.gz YPBNWRJKYNSCAT-FQLPYIGMSA-N 1 0 712.704 4.028 1 0 KIAFRO CCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)C1=O ZINC000026502514 561795817 /nfs/dbraw/zinc/79/58/17/561795817.db2.gz OGVAHHQQCDBLHT-NDEPHWFRSA-N 1 0 579.723 4.097 1 0 KIAFRO COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCC[NH+]2CCC(CNS(C)(=O)=O)CC2)cc(OC)c1 ZINC000026502745 561795874 /nfs/dbraw/zinc/79/58/74/561795874.db2.gz JJZGSNYEWTXLDC-UHFFFAOYSA-N 1 0 568.136 4.133 1 0 KIAFRO CCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)C1=O ZINC000026503732 561796198 /nfs/dbraw/zinc/79/61/98/561796198.db2.gz DDCWENFMFNOHTP-NDEPHWFRSA-N 1 0 579.723 4.097 1 0 KIAFRO CN1C(=O)N(CCc2ccc3[nH]c(C(=O)NCc4ccccc4N)c(CC[NH+](C)C)c3c2)C(=O)[C@]1(C)c1ccccc1 ZINC000026508350 561796965 /nfs/dbraw/zinc/79/69/65/561796965.db2.gz XTIXVUPQQCGCGV-XIFFEERXSA-N 1 0 566.706 4.136 1 0 KIAFRO CN1C(=O)N(CCc2ccc3[nH]c(C(=O)NCc4ccccc4N)c(CC[NH+](C)C)c3c2)C(=O)[C@@]1(C)c1ccccc1 ZINC000026508355 561796973 /nfs/dbraw/zinc/79/69/73/561796973.db2.gz XTIXVUPQQCGCGV-MGBGTMOVSA-N 1 0 566.706 4.136 1 0 KIAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccc(Cl)c(Cl)c2)C(=O)c2nccs2)C1 ZINC000026566378 561797096 /nfs/dbraw/zinc/79/70/96/561797096.db2.gz OYDBTBRYXPDRDL-SAAIGDAKSA-N 1 0 712.704 4.028 1 0 KIAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccc(Cl)c(Cl)c2)C(=O)c2nccs2)C1 ZINC000026566383 561797071 /nfs/dbraw/zinc/79/70/71/561797071.db2.gz OYDBTBRYXPDRDL-FQLPYIGMSA-N 1 0 712.704 4.028 1 0 KIAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000026566853 561797199 /nfs/dbraw/zinc/79/71/99/561797199.db2.gz OMGHICHTGDYFBH-UHFFFAOYSA-N 1 0 544.483 4.382 1 0 KIAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)N[C@@](C)(c4ccccc4)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1 ZINC000026567097 561797273 /nfs/dbraw/zinc/79/72/73/561797273.db2.gz DVIQWYZZFHGVAM-YTTGMZPUSA-N 1 0 537.664 4.212 1 0 KIAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)N[C@](C)(c4ccccc4)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1 ZINC000026567101 561797257 /nfs/dbraw/zinc/79/72/57/561797257.db2.gz DVIQWYZZFHGVAM-JGCGQSQUSA-N 1 0 537.664 4.212 1 0 KIAFRO COc1ccc([C@@]2(CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000026567934 561797519 /nfs/dbraw/zinc/79/75/19/561797519.db2.gz FMTLSROFQVSZGR-DHUJRADRSA-N 1 0 631.770 4.423 1 0 KIAFRO COc1ccc([C@]2(CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000026567938 561797490 /nfs/dbraw/zinc/79/74/90/561797490.db2.gz FMTLSROFQVSZGR-PGUFJCEWSA-N 1 0 631.770 4.423 1 0 KIAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000026568138 561797550 /nfs/dbraw/zinc/79/75/50/561797550.db2.gz CYQJVGNTMOGXHH-UHFFFAOYSA-N 1 0 543.590 4.094 1 0 KIAFRO CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCC[NH3+])N(C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O ZINC000026570041 561797910 /nfs/dbraw/zinc/79/79/10/561797910.db2.gz POQCTZPLFQXXEJ-OQIMXIDESA-N 1 0 708.860 4.130 1 0 KIAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000026572409 561798298 /nfs/dbraw/zinc/79/82/98/561798298.db2.gz LNHYSNXQZLAEBY-XGPKXWGSSA-N 1 0 577.766 4.139 1 0 KIAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000026572412 561798244 /nfs/dbraw/zinc/79/82/44/561798244.db2.gz LNHYSNXQZLAEBY-SZGBFMHYSA-N 1 0 577.766 4.139 1 0 KIAFRO COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026574076 561798724 /nfs/dbraw/zinc/79/87/24/561798724.db2.gz KZBKLNYTAXMALT-ZYADHFCISA-N 1 0 740.902 4.051 1 0 KIAFRO CC(C)C[C@@H](C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)C[C@@H](C)CC(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026574893 561798934 /nfs/dbraw/zinc/79/89/34/561798934.db2.gz XPCFCZGXCWMKNC-NLWZFNKBSA-N 1 0 686.898 4.004 1 0 KIAFRO CC(C)C[C@H](C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)C[C@@H](C)CC(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026574894 561798920 /nfs/dbraw/zinc/79/89/20/561798920.db2.gz XPCFCZGXCWMKNC-MSPHBYOOSA-N 1 0 686.898 4.004 1 0 KIAFRO CC(C)C[C@@H](C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)C[C@H](C)CC(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026574895 561798938 /nfs/dbraw/zinc/79/89/38/561798938.db2.gz XPCFCZGXCWMKNC-KADMRNRFSA-N 1 0 686.898 4.004 1 0 KIAFRO CC(C)C[C@H](C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)C[C@H](C)CC(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026574897 561798917 /nfs/dbraw/zinc/79/89/17/561798917.db2.gz XPCFCZGXCWMKNC-FOPBMUBHSA-N 1 0 686.898 4.004 1 0 KIAFRO O=S(=O)(/C=C/c1ccccc1)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000026576201 561799944 /nfs/dbraw/zinc/79/99/44/561799944.db2.gz SESKVQMFQQJZPS-SRZZPIQSSA-N 1 0 528.122 4.288 1 0 KIAFRO O[C@H](Cn1cnc2c1ncnc2Cc1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026576772 561800581 /nfs/dbraw/zinc/80/05/81/561800581.db2.gz FFQQYRUJLMJMJO-NDEPHWFRSA-N 1 0 518.665 4.185 1 0 KIAFRO O[C@@H](Cn1cnc2c1ncnc2Cc1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026576773 561800570 /nfs/dbraw/zinc/80/05/70/561800570.db2.gz FFQQYRUJLMJMJO-MUUNZHRXSA-N 1 0 518.665 4.185 1 0 KIAFRO O[C@H](Cn1cnc2c1nc(C(F)(F)F)nc2-n1cccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026577054 561800957 /nfs/dbraw/zinc/80/09/57/561800957.db2.gz VFBXJCJEIYPTQK-DEOSSOPVSA-N 1 0 561.612 4.404 1 0 KIAFRO COc1ccc(Br)cc1S(=O)(=O)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000026577131 561801097 /nfs/dbraw/zinc/80/10/97/561801097.db2.gz GAXLRXULFOLZRA-UHFFFAOYSA-N 1 0 611.006 4.448 1 0 KIAFRO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CN2C(=O)c3cccc4c(N(C)C)ccc(c43)C2=O)CC1 ZINC000026577212 561801271 /nfs/dbraw/zinc/80/12/71/561801271.db2.gz ZHTOSNQGEAYJOC-UHFFFAOYSA-N 1 0 565.070 4.315 1 0 KIAFRO Cc1ccc(C)n1-c1ncnc2c1ncn2C[C@@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026577760 561802351 /nfs/dbraw/zinc/80/23/51/561802351.db2.gz OHZOWCKWVXSRPN-MHZLTWQESA-N 1 0 521.669 4.002 1 0 KIAFRO Cc1ccc(C)n1-c1ncnc2c1ncn2C[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026577761 561802334 /nfs/dbraw/zinc/80/23/34/561802334.db2.gz OHZOWCKWVXSRPN-HHHXNRCGSA-N 1 0 521.669 4.002 1 0 KIAFRO O=S(=O)(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(Cl)cc1 ZINC000026577984 561802612 /nfs/dbraw/zinc/80/26/12/561802612.db2.gz KUCBABYXIBSDJB-UHFFFAOYSA-N 1 0 536.529 4.330 1 0 KIAFRO CN(C)S(=O)(=O)N(C)C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026578673 561803650 /nfs/dbraw/zinc/80/36/50/561803650.db2.gz AXMFPMPIDBXVKP-JJVXONKQSA-N 1 0 558.597 4.360 1 0 KIAFRO CN(C)S(=O)(=O)N(C)C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026578674 561803669 /nfs/dbraw/zinc/80/36/69/561803669.db2.gz AXMFPMPIDBXVKP-NMWVFERUSA-N 1 0 558.597 4.360 1 0 KIAFRO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026578905 561803905 /nfs/dbraw/zinc/80/39/05/561803905.db2.gz PCJZMPHSEHTGOD-UHFFFAOYSA-N 1 0 589.158 4.387 1 0 KIAFRO CC(C)[C@H](O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026637556 561806067 /nfs/dbraw/zinc/80/60/67/561806067.db2.gz CBCIPSNAUOZRBK-PQHLKRTFSA-N 1 0 595.748 4.273 1 0 KIAFRO NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)C[NH2+]CCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000026645179 561807394 /nfs/dbraw/zinc/80/73/94/561807394.db2.gz DYGGRLNAYUSQCM-UHFFFAOYSA-N 1 0 548.687 4.076 1 0 KIAFRO C[C@@H](O)CC[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026645449 561807421 /nfs/dbraw/zinc/80/74/21/561807421.db2.gz SEYHFGDVCNIPSW-SKCUWOTOSA-N 1 0 581.721 4.027 1 0 KIAFRO CO[C@H](C)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026645457 561807379 /nfs/dbraw/zinc/80/73/79/561807379.db2.gz DTSAZXRLJCWLGE-SKCUWOTOSA-N 1 0 581.721 4.291 1 0 KIAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000026648233 561807953 /nfs/dbraw/zinc/80/79/53/561807953.db2.gz BSJHGNMECRNXFH-RJNCKGSUSA-N 1 0 566.745 4.365 1 0 KIAFRO CN(C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000026648238 561807922 /nfs/dbraw/zinc/80/79/22/561807922.db2.gz BSJHGNMECRNXFH-MYCMVYEHSA-N 1 0 566.745 4.365 1 0 KIAFRO CCOC(=O)N1CCC([NH+]2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCCO3)CC2)CC1 ZINC000026648606 561807916 /nfs/dbraw/zinc/80/79/16/561807916.db2.gz PQRQGBWRFLYCFY-UHFFFAOYSA-N 1 0 572.724 4.451 1 0 KIAFRO CC(=O)O[C@@H](C)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026653389 561808799 /nfs/dbraw/zinc/80/87/99/561808799.db2.gz VQISMLUSPXOSFO-PZGXJGMVSA-N 1 0 609.731 4.208 1 0 KIAFRO CC(C)[C@@H](O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026653579 561808875 /nfs/dbraw/zinc/80/88/75/561808875.db2.gz CBCIPSNAUOZRBK-DGPALRBDSA-N 1 0 595.748 4.273 1 0 KIAFRO CCCS(=O)(=O)N1CCC([NH+]2CCC(C3(c4ccc([S@@](=O)c5ccc6c(c5)OCO6)cc4)O[C@H](C)[C@@H](C)O3)CC2)CC1 ZINC000026654012 561808891 /nfs/dbraw/zinc/80/88/91/561808891.db2.gz ZZJNBTSARFCKFX-FGZYSDORSA-N 1 0 618.818 4.475 1 0 KIAFRO CCCS(=O)(=O)N1CCC([NH+]2CCC(C3(c4ccc([S@](=O)c5ccc6c(c5)OCO6)cc4)O[C@H](C)[C@@H](C)O3)CC2)CC1 ZINC000026654018 561808871 /nfs/dbraw/zinc/80/88/71/561808871.db2.gz ZZJNBTSARFCKFX-GYNULNQLSA-N 1 0 618.818 4.475 1 0 KIAFRO CC(C)(O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026654494 561809035 /nfs/dbraw/zinc/80/90/35/561809035.db2.gz HJICRDRQMPVABL-HHHXNRCGSA-N 1 0 581.721 4.027 1 0 KIAFRO C[C@H](O)CC[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026657343 561809673 /nfs/dbraw/zinc/80/96/73/561809673.db2.gz SEYHFGDVCNIPSW-RBISFHTESA-N 1 0 581.721 4.027 1 0 KIAFRO CCOC(=O)N1CCC([NH+]2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1 ZINC000026657550 561809608 /nfs/dbraw/zinc/80/96/08/561809608.db2.gz BQPVESMOIYBXDQ-UHFFFAOYSA-N 1 0 558.697 4.061 1 0 KIAFRO CC(C)(C)NC(=O)[C@H]1N(C(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H]([NH3+])Cc2ccccc2)CSC1(C)C ZINC000026658246 561809811 /nfs/dbraw/zinc/80/98/11/561809811.db2.gz UNTLRFCTRZUJID-FDFHNCONSA-N 1 0 532.106 4.030 1 0 KIAFRO O=[S@@]1CC2(CC[NH+](C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3c3ccccc3)CC2)c2ccccc21 ZINC000026661728 561810360 /nfs/dbraw/zinc/81/03/60/561810360.db2.gz IUMHTNIGQVOIEZ-BJQOOGECSA-N 1 0 520.720 4.246 1 0 KIAFRO O=[S@]1CC2(CC[NH+](C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3c3ccccc3)CC2)c2ccccc21 ZINC000026661734 561810314 /nfs/dbraw/zinc/81/03/14/561810314.db2.gz IUMHTNIGQVOIEZ-GYPONFHGSA-N 1 0 520.720 4.246 1 0 KIAFRO C[N@@H+]1CCCCCOc2ccc(Cl)cc2CNC(=O)Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C1 ZINC000026665321 561811038 /nfs/dbraw/zinc/81/10/38/561811038.db2.gz PWVZGBVCDDZZNQ-QHCPKHFHSA-N 1 0 558.510 4.384 1 0 KIAFRO NC(=[NH2+])c1cccc(C2=NO[C@@](Cc3ccccc3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1 ZINC000026665378 561810971 /nfs/dbraw/zinc/81/09/71/561810971.db2.gz LNSJQGHCYSQTRJ-SSEXGKCCSA-N 1 0 553.644 4.030 1 0 KIAFRO NC(=[NH2+])c1cccc(C2=NO[C@](Cc3ccccc3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1 ZINC000026665384 561810985 /nfs/dbraw/zinc/81/09/85/561810985.db2.gz LNSJQGHCYSQTRJ-PMERELPUSA-N 1 0 553.644 4.030 1 0 KIAFRO O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C[NH2+]CCCCCOc2ccc(Cl)cc2CN1 ZINC000026666510 561811320 /nfs/dbraw/zinc/81/13/20/561811320.db2.gz BKMLZHDSJSJXNS-QFIPXVFZSA-N 1 0 544.483 4.042 1 0 KIAFRO O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)[NH2+]CCCCCCOc2ccc(Cl)cc2CN1 ZINC000026667352 561811391 /nfs/dbraw/zinc/81/13/91/561811391.db2.gz AJEASRLDZKLAGW-DEOSSOPVSA-N 1 0 544.483 4.390 1 0 KIAFRO CCN(CC)C(=O)C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000026674701 561813626 /nfs/dbraw/zinc/81/36/26/561813626.db2.gz PGTZOYPMRUMGFH-UPVQGACJSA-N 1 0 525.521 4.008 1 0 KIAFRO Cn1cnc(-c2ccc3c(c2)c(C2CC[NH+](CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1 ZINC000026721222 561815197 /nfs/dbraw/zinc/81/51/97/561815197.db2.gz SQHPLCBBYWXCOO-UHFFFAOYSA-N 1 0 563.637 4.448 1 0 KIAFRO CC(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026735084 561817280 /nfs/dbraw/zinc/81/72/80/561817280.db2.gz FSZBMUOHARLJDN-AEAWEUCCSA-N 1 0 636.903 4.308 1 0 KIAFRO CC(C)([NH3+])C(=O)N[C@@H]1CCc2c3ccccc3ccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026747673 561819168 /nfs/dbraw/zinc/81/91/68/561819168.db2.gz NVRXRMHCTDUSKF-HHHXNRCGSA-N 1 0 545.647 4.388 1 0 KIAFRO CC(C)N(Cc1cc(F)ccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C[NH2+]C[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 ZINC000026749741 561819428 /nfs/dbraw/zinc/81/94/28/561819428.db2.gz LSHLFPZRBGUDCA-HKBQPEDESA-N 1 0 709.838 4.208 1 0 KIAFRO C[C@](Cc1ccccc1)([NH2+]C[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)c1ccc(OC(F)F)cc1 ZINC000026819343 561820893 /nfs/dbraw/zinc/82/08/93/561820893.db2.gz SWCHIYNKKDPGDI-UKILVPOCSA-N 1 0 506.571 4.146 1 0 KIAFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccc(OC(F)(F)F)cc2)ccc1O ZINC000026821244 561821100 /nfs/dbraw/zinc/82/11/00/561821100.db2.gz LTTRPGNJRAQBTP-REWPJTCUSA-N 1 0 510.534 4.269 1 0 KIAFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OC(F)(F)F)cc2)ccc1O ZINC000026821249 561821092 /nfs/dbraw/zinc/82/10/92/561821092.db2.gz LTTRPGNJRAQBTP-OFNKIYASSA-N 1 0 510.534 4.269 1 0 KIAFRO COc1cc2c(cc1OC)CN(C(=O)CC[NH+]1CCC(CCCOc3ccc4c(c3)OCO4)CC1)CC2 ZINC000026823978 561821621 /nfs/dbraw/zinc/82/16/21/561821621.db2.gz YBIOCLXOCIWLMA-UHFFFAOYSA-N 1 0 510.631 4.279 1 0 KIAFRO O=C(COCc1ccccc1)N1C[C@@H]2C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)[C@H]2C12CC[NH2+]CC2 ZINC000026825194 561821839 /nfs/dbraw/zinc/82/18/39/561821839.db2.gz JSNZMVJAAYILPX-GMAHTHKFSA-N 1 0 583.529 4.007 1 0 KIAFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]C(c2ccc(OC(F)F)cc2)c2ccc(OC(F)F)cc2)ccc1O ZINC000026827211 561822287 /nfs/dbraw/zinc/82/22/87/561822287.db2.gz FUKHGCVTMAEHRG-NRFANRHFSA-N 1 0 544.523 4.379 1 0 KIAFRO COc1ccc(C(=O)N2C[C@@H]3C(=O)N(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)C(=O)[C@H]3C23CC[NH2+]CC3)cc1OC ZINC000026827258 561822295 /nfs/dbraw/zinc/82/22/95/561822295.db2.gz JMTNSBHIHIHOHW-UGKGYDQZSA-N 1 0 599.528 4.121 1 0 KIAFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccc(OCC(F)(F)F)cc2)ccc1O ZINC000026830441 561822852 /nfs/dbraw/zinc/82/28/52/561822852.db2.gz FSWYDOVOAWEOEP-URXFXBBRSA-N 1 0 524.561 4.312 1 0 KIAFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OCC(F)(F)F)cc2)ccc1O ZINC000026830445 561822915 /nfs/dbraw/zinc/82/29/15/561822915.db2.gz FSWYDOVOAWEOEP-QPPBQGQZSA-N 1 0 524.561 4.312 1 0 KIAFRO Cc1cc([C@@H](Cc2ccccc2)[NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1OC(F)F ZINC000026830864 561822891 /nfs/dbraw/zinc/82/28/91/561822891.db2.gz XFXOEBPBGTXXDH-OFNKIYASSA-N 1 0 506.571 4.281 1 0 KIAFRO O=C(OCc1ccccc1)c1cc2c(ccc3c2O[C@H](C[NH+]2CCC4(CC2)C(=O)NCN4c2ccccc2)CO3)[nH]1 ZINC000026834937 561824002 /nfs/dbraw/zinc/82/40/02/561824002.db2.gz DQQCWQGYIUCCKR-XMMPIXPASA-N 1 0 552.631 4.093 1 0 KIAFRO O=C(OCc1ccccc1)c1cc2c(ccc3c2O[C@@H](C[NH+]2CCC4(CC2)C(=O)NCN4c2ccccc2)CO3)[nH]1 ZINC000026834941 561824018 /nfs/dbraw/zinc/82/40/18/561824018.db2.gz DQQCWQGYIUCCKR-DEOSSOPVSA-N 1 0 552.631 4.093 1 0 KIAFRO COc1cc2c(cc1OC)CN(C(=O)CC[N@@H+]1CCC[C@@H](CCCOc3ccc4c(c3)OCO4)C1)CC2 ZINC000026835362 561824054 /nfs/dbraw/zinc/82/40/54/561824054.db2.gz JQUZUJFSKYHOLT-NRFANRHFSA-N 1 0 510.631 4.279 1 0 KIAFRO COc1cc2c(cc1OC)CN(C(=O)CC[N@@H+]1CCC[C@H](CCCOc3ccc4c(c3)OCO4)C1)CC2 ZINC000026835367 561824076 /nfs/dbraw/zinc/82/40/76/561824076.db2.gz JQUZUJFSKYHOLT-OAQYLSRUSA-N 1 0 510.631 4.279 1 0 KIAFRO O=C(NCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000026835506 561824221 /nfs/dbraw/zinc/82/42/21/561824221.db2.gz OQCZSKDYAKSTBO-LJAQVGFWSA-N 1 0 559.692 4.112 1 0 KIAFRO NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000026837210 561824784 /nfs/dbraw/zinc/82/47/84/561824784.db2.gz GFEYXHFPPRVVOS-JGCGQSQUSA-N 1 0 619.747 4.151 1 0 KIAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000026837215 561824814 /nfs/dbraw/zinc/82/48/14/561824814.db2.gz GFEYXHFPPRVVOS-YTTGMZPUSA-N 1 0 619.747 4.151 1 0 KIAFRO NC(=O)CN(CCc1ccccc1)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CC[NH2+]CC1 ZINC000026837536 561824804 /nfs/dbraw/zinc/82/48/04/561824804.db2.gz HVHOELXJIKIEJF-XPSQVAKYSA-N 1 0 683.853 4.304 1 0 KIAFRO O=C(NCc1c(F)cccc1F)N1CCC(Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)CC1 ZINC000026839090 561825203 /nfs/dbraw/zinc/82/52/03/561825203.db2.gz LDFMPUWMMCLZPQ-VWLOTQADSA-N 1 0 554.638 4.029 1 0 KIAFRO O=C(NCc1ccc(F)cc1F)N1CCC(Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)CC1 ZINC000026839669 561825497 /nfs/dbraw/zinc/82/54/97/561825497.db2.gz GBXKZKZCOVJXRA-MHZLTWQESA-N 1 0 554.638 4.029 1 0 KIAFRO O=C(NCc1cc(F)ccc1F)N1CCC(Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)CC1 ZINC000026840851 561825717 /nfs/dbraw/zinc/82/57/17/561825717.db2.gz ATODTSRMPBDUGC-MHZLTWQESA-N 1 0 554.638 4.029 1 0 KIAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C)CC2)c(C(C)C)c1 ZINC000026846481 561826511 /nfs/dbraw/zinc/82/65/11/561826511.db2.gz CTQVZKICLKJBDP-MHZLTWQESA-N 1 0 555.789 4.004 1 0 KIAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C)CC2)c(C(C)C)c1 ZINC000026846486 561826526 /nfs/dbraw/zinc/82/65/26/561826526.db2.gz CTQVZKICLKJBDP-HHHXNRCGSA-N 1 0 555.789 4.004 1 0 KIAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCOCC2)c(C(C)C)c1 ZINC000026852242 561827351 /nfs/dbraw/zinc/82/73/51/561827351.db2.gz DLHXBAMUANZOKI-SANMLTNESA-N 1 0 542.746 4.089 1 0 KIAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCOCC2)c(C(C)C)c1 ZINC000026852248 561827370 /nfs/dbraw/zinc/82/73/70/561827370.db2.gz DLHXBAMUANZOKI-AREMUKBSSA-N 1 0 542.746 4.089 1 0 KIAFRO COc1ccc(CC[NH2+]CC[C@@H]2CN(S(=O)(=O)c3cccc4cnccc43)c3ccccc3O2)cc1OC ZINC000026936290 561827568 /nfs/dbraw/zinc/82/75/68/561827568.db2.gz GVKKBFNUBOYVFQ-HSZRJFAPSA-N 1 0 533.650 4.431 1 0 KIAFRO COc1ccc(CC[NH2+]CC[C@H]2CN(S(=O)(=O)c3cccc4cnccc43)c3ccccc3O2)cc1OC ZINC000026936296 561827552 /nfs/dbraw/zinc/82/75/52/561827552.db2.gz GVKKBFNUBOYVFQ-QHCPKHFHSA-N 1 0 533.650 4.431 1 0 KIAFRO COc1cc(/C=C/C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H]([NH3+])CCC3CCCCC3)cc2)cc(OC)c1OC ZINC000026937373 561827619 /nfs/dbraw/zinc/82/76/19/561827619.db2.gz IMGVCZSILLUKID-NQTJHPBVSA-N 1 0 525.646 4.352 1 0 KIAFRO CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1 ZINC000026938162 561827858 /nfs/dbraw/zinc/82/78/58/561827858.db2.gz KIAURGGQAXXCJA-UFHPHHKVSA-N 1 0 597.826 4.215 1 0 KIAFRO CNC(=O)[C@H]1CCCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1 ZINC000026938168 561827860 /nfs/dbraw/zinc/82/78/60/561827860.db2.gz KIAURGGQAXXCJA-RBJSKKJNSA-N 1 0 597.826 4.215 1 0 KIAFRO CCCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000026938296 561827863 /nfs/dbraw/zinc/82/78/63/561827863.db2.gz RSKTZPYYFJYNFU-DZVDWBIPSA-N 1 0 527.665 4.031 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026938367 561827882 /nfs/dbraw/zinc/82/78/82/561827882.db2.gz LYMBPRXTWAXSBF-YCXOGWGTSA-N 1 0 501.712 4.279 1 0 KIAFRO CCCCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000026940898 561828068 /nfs/dbraw/zinc/82/80/68/561828068.db2.gz XNAWXRGPRKPPIN-RVLOQZQWSA-N 1 0 541.692 4.422 1 0 KIAFRO CNC(=O)C1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 ZINC000026941229 561828063 /nfs/dbraw/zinc/82/80/63/561828063.db2.gz ZTMCOILKCNNJAN-MUUNZHRXSA-N 1 0 597.826 4.215 1 0 KIAFRO CNC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 ZINC000026941235 561828113 /nfs/dbraw/zinc/82/81/13/561828113.db2.gz ZTMCOILKCNNJAN-NDEPHWFRSA-N 1 0 597.826 4.215 1 0 KIAFRO O=C1[C@H](Cc2c[nH]c3ccccc23)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)N1C1CC[NH2+]CC1 ZINC000026944669 561828305 /nfs/dbraw/zinc/82/83/05/561828305.db2.gz HFIJMFZISRFTEP-NDEPHWFRSA-N 1 0 546.635 4.143 1 0 KIAFRO CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H](CCCC[NH3+])NC(=O)OC(C)(C)C ZINC000026947403 561828739 /nfs/dbraw/zinc/82/87/39/561828739.db2.gz IFFXHRWWNJJWIQ-SXLOSVNLSA-N 1 0 710.876 4.115 1 0 KIAFRO CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@H](CCCC[NH3+])NC(=O)OC(C)(C)C ZINC000026947412 561828683 /nfs/dbraw/zinc/82/86/83/561828683.db2.gz IFFXHRWWNJJWIQ-GMTSZFNJSA-N 1 0 710.876 4.115 1 0 KIAFRO COc1cc(/C=C/C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H]([NH3+])CC3CCCCC3)cc2C)cc(OC)c1OC ZINC000026952821 561828918 /nfs/dbraw/zinc/82/89/18/561828918.db2.gz LTZXDECRCSVHPT-SLIBRYMCSA-N 1 0 525.646 4.270 1 0 KIAFRO CN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)[C@@H](CCc1ccccc1)NC(=O)CCC(C)(C)[NH3+] ZINC000026953244 561829072 /nfs/dbraw/zinc/82/90/72/561829072.db2.gz PJXGWCNQGCILPB-HHHXNRCGSA-N 1 0 539.684 4.127 1 0 KIAFRO CCCCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000026954226 561829060 /nfs/dbraw/zinc/82/90/60/561829060.db2.gz UWPULSYJZRDDKB-YIAOTGBYSA-N 1 0 556.707 4.214 1 0 KIAFRO O=C(NCCCC[NH2+]CCCNC(=O)c1cc(Br)c(Br)[nH]1)c1cc(Br)c(Br)[nH]1 ZINC000026966776 561830048 /nfs/dbraw/zinc/83/00/48/561830048.db2.gz FUQALZZVMROPCY-UHFFFAOYSA-N 1 0 647.004 4.313 1 0 KIAFRO C[NH+](C)CCCN1C(=O)[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=S ZINC000026967221 561830007 /nfs/dbraw/zinc/83/00/07/561830007.db2.gz BPIFMFOICGHTGU-MHZLTWQESA-N 1 0 539.709 4.416 1 0 KIAFRO CC(C)(Cc1ccc(NS(=O)(=O)N2CCC(c3ccccc3)CC2)cc1)[NH2+]C[C@H](O)c1cccnc1 ZINC000026967344 561830036 /nfs/dbraw/zinc/83/00/36/561830036.db2.gz SQJADSJZSPPNFR-MHZLTWQESA-N 1 0 508.688 4.262 1 0 KIAFRO CS(=O)(=O)Nc1ccc(OCCC[N@H+](Cc2ccc3cc(NS(C)(=O)=O)ccc3n2)C2CCCC2)cc1 ZINC000026967887 561830239 /nfs/dbraw/zinc/83/02/39/561830239.db2.gz MNNGMFLTXJFVMW-UHFFFAOYSA-N 1 0 546.715 4.192 1 0 KIAFRO CC(C)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)[C@@H](CCc1ccccc1)NC(=O)C(C)(C)[NH3+] ZINC000026970017 561830344 /nfs/dbraw/zinc/83/03/44/561830344.db2.gz LTXZAMQUAILPDA-HHHXNRCGSA-N 1 0 539.684 4.126 1 0 KIAFRO CC[C@@H](NC(=O)CC(C)(C)[NH3+])C(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ccccc1 ZINC000026973714 561830674 /nfs/dbraw/zinc/83/06/74/561830674.db2.gz RMPSQAHSYXLZLX-RUZDIDTESA-N 1 0 511.630 4.089 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H]3CCC[N@@H+]3Cc3ccccn3)c2=O)c1 ZINC000026976379 561830887 /nfs/dbraw/zinc/83/08/87/561830887.db2.gz BIBBCWVYCRICCF-HSZRJFAPSA-N 1 0 532.591 4.380 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)C[N@H+](C)CCc3ccccn3)c2=O)c1 ZINC000026984603 561831760 /nfs/dbraw/zinc/83/17/60/561831760.db2.gz GNENPVYUZQIQKL-HXUWFJFHSA-N 1 0 534.607 4.451 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)[N@H+](C)CCc3ccccn3)c2=O)c1 ZINC000026988824 561832308 /nfs/dbraw/zinc/83/23/08/561832308.db2.gz OFKJZTZWKLEUHT-HXUWFJFHSA-N 1 0 534.607 4.279 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[N@H+](C)CCc3ccccn3)c2=O)c1 ZINC000026988832 561832250 /nfs/dbraw/zinc/83/22/50/561832250.db2.gz OFKJZTZWKLEUHT-FQEVSTJZSA-N 1 0 534.607 4.279 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H]3CCC[N@@H+]3Cc3ccccn3)c2=O)c1 ZINC000026991703 561832649 /nfs/dbraw/zinc/83/26/49/561832649.db2.gz BIBBCWVYCRICCF-QHCPKHFHSA-N 1 0 532.591 4.380 1 0 KIAFRO CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccncc1 ZINC000026998194 561833715 /nfs/dbraw/zinc/83/37/15/561833715.db2.gz YNIIFYQWNMHZBK-SJHFQCKASA-N 1 0 658.869 4.466 1 0 KIAFRO CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccncc1 ZINC000026998199 561833646 /nfs/dbraw/zinc/83/36/46/561833646.db2.gz YNIIFYQWNMHZBK-FRJUPVQCSA-N 1 0 658.869 4.466 1 0 KIAFRO COc1ccc([C@H]2[NH+]=CN[C@H]2c2ccc(OC)cc2I)c(I)c1 ZINC000027073001 561833769 /nfs/dbraw/zinc/83/37/69/561833769.db2.gz NPILNLRJEWUFKG-CALCHBBNSA-N 1 0 534.135 4.327 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3occc3c2Cl)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027079052 561834608 /nfs/dbraw/zinc/83/46/08/561834608.db2.gz UFELAQKNFHLHDW-CCVAOMPMSA-N 1 0 688.269 4.267 1 0 KIAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)[N@@H+]2CCCN1C(=O)c2ccccc2C1=O ZINC000027079861 561834893 /nfs/dbraw/zinc/83/48/93/561834893.db2.gz TVODIOKMRPQPDM-MKWLTTDUSA-N 1 0 558.416 4.087 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027083700 581099137 /nfs/dbraw/zinc/09/91/37/581099137.db2.gz ZAAHWJMMDZYDIP-KZUJILONSA-N 1 0 575.794 4.166 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2C[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027083707 561835629 /nfs/dbraw/zinc/83/56/29/561835629.db2.gz ZAAHWJMMDZYDIP-VRAYGLINSA-N 1 0 575.794 4.166 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2C[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027083715 581099111 /nfs/dbraw/zinc/09/91/11/581099111.db2.gz ZAAHWJMMDZYDIP-GQANVBLGSA-N 1 0 575.794 4.166 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)CCCCCCC[NH3+] ZINC000027088396 561836818 /nfs/dbraw/zinc/83/68/18/561836818.db2.gz ZBGLGPPLIJVDBE-PIVNMMCNSA-N 1 0 525.598 4.114 1 0 KIAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6cccc(N)c6)CC5)CC4)OCCO3)cc2)cc1 ZINC000027098709 561838402 /nfs/dbraw/zinc/83/84/02/561838402.db2.gz WNIDTXLJHHDNRO-UHFFFAOYSA-N 1 0 605.757 4.327 1 0 KIAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6cc(F)ccc6N)CC5)CC4)OCCO3)cc2)cc1 ZINC000027100106 561838517 /nfs/dbraw/zinc/83/85/17/561838517.db2.gz ROONXDDATKJYPS-UHFFFAOYSA-N 1 0 623.747 4.466 1 0 KIAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6ccc(F)cc6N)CC5)CC4)OCCO3)cc2)cc1 ZINC000027101999 561839020 /nfs/dbraw/zinc/83/90/20/561839020.db2.gz HTTXQGCXIMVLIN-UHFFFAOYSA-N 1 0 623.747 4.466 1 0 KIAFRO CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nnc(C)s1 ZINC000027102146 561839019 /nfs/dbraw/zinc/83/90/19/561839019.db2.gz NLDDSFIWYIFSEC-DZUOILHNSA-N 1 0 707.001 4.164 1 0 KIAFRO COc1ccc(S(=O)(=O)c2ccc(C3(C4CC[NH+](C5CCN(C(=O)c6ccccc6N)CC5)CC4)OCCO3)cc2)cc1 ZINC000027103152 561839317 /nfs/dbraw/zinc/83/93/17/561839317.db2.gz CRBMSEWZNVIOAU-UHFFFAOYSA-N 1 0 605.757 4.327 1 0 KIAFRO CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccncc1 ZINC000027104885 561839751 /nfs/dbraw/zinc/83/97/51/561839751.db2.gz GBZJUXXQDANXHV-YDPTYEFTSA-N 1 0 685.957 4.399 1 0 KIAFRO C[C@@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 ZINC000027104890 561839699 /nfs/dbraw/zinc/83/96/99/561839699.db2.gz FYDPHJLAPZGAEJ-GKIXMTHWSA-N 1 0 639.863 4.056 1 0 KIAFRO C[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 ZINC000027104893 561839720 /nfs/dbraw/zinc/83/97/20/561839720.db2.gz FYDPHJLAPZGAEJ-DFZCOPKLSA-N 1 0 639.863 4.056 1 0 KIAFRO COc1ccc2ccc(S(=O)(=O)N(Cc3ccsc3)[C@H]3CCN(Cc4cccc(C(N)=[NH2+])c4)C3=O)cc2c1 ZINC000027106095 561840192 /nfs/dbraw/zinc/84/01/92/561840192.db2.gz HNEAWVZXDQKQPL-SANMLTNESA-N 1 0 548.690 4.186 1 0 KIAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000027106450 561840244 /nfs/dbraw/zinc/84/02/44/561840244.db2.gz YFENHLLSWNIDGF-ZCYQVOJMSA-N 1 0 568.479 4.256 1 0 KIAFRO CSC[C@@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 ZINC000027106838 561840283 /nfs/dbraw/zinc/84/02/83/561840283.db2.gz OMQKMJJDKHVGCK-JVVMDBNWSA-N 1 0 685.957 4.399 1 0 KIAFRO CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 ZINC000027106842 561840288 /nfs/dbraw/zinc/84/02/88/561840288.db2.gz OMQKMJJDKHVGCK-ORYMTKCHSA-N 1 0 685.957 4.399 1 0 KIAFRO [NH3+]C1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CCSc2ccccn2)CC1 ZINC000027107104 561840445 /nfs/dbraw/zinc/84/04/45/561840445.db2.gz OZFZEVAJUHXLRM-YRCZKMHPSA-N 1 0 705.926 4.002 1 0 KIAFRO CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1ccccn1 ZINC000027107907 561840607 /nfs/dbraw/zinc/84/06/07/561840607.db2.gz XONVKFCNVZUDTQ-KRCBVYEFSA-N 1 0 671.930 4.009 1 0 KIAFRO COc1ccc2ccc(S(=O)(=O)N(Cc3cccs3)[C@H]3CCN(Cc4cccc(C(N)=[NH2+])c4)C3=O)cc2c1 ZINC000027108636 561840905 /nfs/dbraw/zinc/84/09/05/561840905.db2.gz PFOXVVFRJCZIDL-SANMLTNESA-N 1 0 548.690 4.186 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCCCCn2ncc(Cl)c(N3CCN(C(=O)c4ccco4)CC3)c2=O)CC1 ZINC000027109063 561840833 /nfs/dbraw/zinc/84/08/33/561840833.db2.gz IEQYKKSEYPPICP-UHFFFAOYSA-N 1 0 597.160 4.233 1 0 KIAFRO COc1ccc2ccc(S(=O)(=O)N(Cc3ccccc3)[C@H]3CCN(Cc4cccc(C(N)=[NH2+])c4)C3=O)cc2c1 ZINC000027109371 561840945 /nfs/dbraw/zinc/84/09/45/561840945.db2.gz NUQFHKRIDTWCJR-NDEPHWFRSA-N 1 0 542.661 4.124 1 0 KIAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000027182211 561841976 /nfs/dbraw/zinc/84/19/76/561841976.db2.gz IABHSDAIYWDTNI-GOBOWQCMSA-N 1 0 578.713 4.389 1 0 KIAFRO CCOC(=O)CN1CCC(Oc2c(F)c(Oc3cccc(C4=[NH+]CCN4C)c3)nc(Oc3cc(C(N)=[NH2+])ccc3[O-])c2F)CC1 ZINC000027182236 561842046 /nfs/dbraw/zinc/84/20/46/561842046.db2.gz VITCTALXBLQAIZ-UHFFFAOYSA-N 1 0 624.645 4.032 1 0 KIAFRO C[C@H](O)CNC(=O)[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](CC1=CC[C@@H](c2ccccc2)C=C1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000027193960 561843961 /nfs/dbraw/zinc/84/39/61/561843961.db2.gz FFZBCSXBGQSMNS-BYBQBVHGSA-N 1 0 606.833 4.185 1 0 KIAFRO C[C@H](O)CNC(=O)[C@@H](Cc1cccs1)N(C)C(=O)[C@@H](CC1=CC[C@H](c2ccccc2)C=C1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000027193964 561843968 /nfs/dbraw/zinc/84/39/68/561843968.db2.gz FFZBCSXBGQSMNS-ISSPHZENSA-N 1 0 606.833 4.185 1 0 KIAFRO CN(C(=O)/C=C/CC(C)(C)[NH3+])[C@H](Cc1cccc2ccccc21)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000027195365 561844212 /nfs/dbraw/zinc/84/42/12/561844212.db2.gz QRKMAIWQNUXEDA-DFLZGMEISA-N 1 0 598.788 4.258 1 0 KIAFRO CN(C(=O)/C=C/CC(C)(C)[NH3+])[C@H](Cc1cccc2ccccc21)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000027195371 561844262 /nfs/dbraw/zinc/84/42/62/561844262.db2.gz QRKMAIWQNUXEDA-YQDQQDCOSA-N 1 0 598.788 4.258 1 0 KIAFRO CN(C(=O)/C=C/CC(C)(C)[NH3+])[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC1CC1 ZINC000027197326 561844533 /nfs/dbraw/zinc/84/45/33/561844533.db2.gz LLWWGVBTMDXOJI-BFYFNOAVSA-N 1 0 568.762 4.489 1 0 KIAFRO CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000027201825 561845359 /nfs/dbraw/zinc/84/53/59/561845359.db2.gz OILIMWPRFSABJZ-ORYCTFIOSA-N 1 0 554.735 4.222 1 0 KIAFRO C[C@@H](O)CNC(=O)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)[C@@H](CC1=CC[C@@H](c2ccccc2)C=C1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000027203397 561845493 /nfs/dbraw/zinc/84/54/93/561845493.db2.gz ORUIITFKECREJK-ZFXPOZQPSA-N 1 0 618.794 4.263 1 0 KIAFRO C[C@@H](O)CNC(=O)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)[C@@H](CC1=CC[C@H](c2ccccc2)C=C1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000027203402 561845516 /nfs/dbraw/zinc/84/55/16/561845516.db2.gz ORUIITFKECREJK-UIHUIIBCSA-N 1 0 618.794 4.263 1 0 KIAFRO CNC(=O)[C@@H](Cc1ccc(I)cc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000027203423 561845550 /nfs/dbraw/zinc/84/55/50/561845550.db2.gz LDZXZPPOLPRETN-ODNGPVGPSA-N 1 0 654.593 4.313 1 0 KIAFRO CCNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000027206130 561845983 /nfs/dbraw/zinc/84/59/83/561845983.db2.gz KYGISGLSSAUUOY-XGWWGWHESA-N 1 0 542.724 4.099 1 0 KIAFRO COCCOc1cc2c(cc1OCC[NH+]1CCCC1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027209560 561846819 /nfs/dbraw/zinc/84/68/19/561846819.db2.gz MNVYQZRCGVZHNJ-UHFFFAOYSA-N 1 0 578.714 4.271 1 0 KIAFRO COc1cc2c(cc1OCCCC1=[NH+]CCN1C)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027212289 561847454 /nfs/dbraw/zinc/84/74/54/561847454.db2.gz IVLTUMFMBLDTTO-UHFFFAOYSA-N 1 0 561.687 4.283 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2cc(I)c(OC)c(OC)c2)CC1 ZINC000027299325 561848774 /nfs/dbraw/zinc/84/87/74/561848774.db2.gz XTYMHPYTYMGIID-ZHACJKMWSA-N 1 0 579.479 4.049 1 0 KIAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCC(F)CC1 ZINC000027306921 561849812 /nfs/dbraw/zinc/84/98/12/561849812.db2.gz ZIUBTSAUIIDTJL-UHFFFAOYSA-N 1 0 667.746 4.171 1 0 KIAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cn2C)cc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000027307586 561849879 /nfs/dbraw/zinc/84/98/79/561849879.db2.gz PMUSWIKHMJHQCT-UHFFFAOYSA-N 1 0 651.772 4.325 1 0 KIAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000027308565 561850244 /nfs/dbraw/zinc/85/02/44/561850244.db2.gz PVOJBWXSEVHOGU-UHFFFAOYSA-N 1 0 639.182 4.390 1 0 KIAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCC(F)CC1 ZINC000027310121 561850442 /nfs/dbraw/zinc/85/04/42/561850442.db2.gz YQTAVNSCHISTNW-UHFFFAOYSA-N 1 0 657.172 4.338 1 0 KIAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000027316038 561851663 /nfs/dbraw/zinc/85/16/63/561851663.db2.gz ZGVUNMXEMICPBC-UHFFFAOYSA-N 1 0 649.756 4.223 1 0 KIAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)C2 ZINC000027318042 561852014 /nfs/dbraw/zinc/85/20/14/561852014.db2.gz CVHZNGFFODOVCS-HOYQLYCJSA-N 1 0 541.802 4.387 1 0 KIAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)C2 ZINC000027318047 561851995 /nfs/dbraw/zinc/85/19/95/561851995.db2.gz CVHZNGFFODOVCS-BOLGMHEXSA-N 1 0 541.802 4.387 1 0 KIAFRO Cc1c(C(=O)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C[C@H](O)C[NH+]1CCN(c2ccccc2C)CC1 ZINC000027319114 561852275 /nfs/dbraw/zinc/85/22/75/561852275.db2.gz FXCZRQUEINPDKX-GDLZYMKVSA-N 1 0 538.692 4.254 1 0 KIAFRO Cc1c(C(=O)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C[C@@H](O)C[NH+]1CCN(c2ccccc2C)CC1 ZINC000027319119 561852341 /nfs/dbraw/zinc/85/23/41/561852341.db2.gz FXCZRQUEINPDKX-LJAQVGFWSA-N 1 0 538.692 4.254 1 0 KIAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)C[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000027326149 561853754 /nfs/dbraw/zinc/85/37/54/561853754.db2.gz XMJCFEKRSSAQAP-VBHQRPIPSA-N 1 0 595.850 4.172 1 0 KIAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)C[C@H]1C[NH+]3CCC1CC3)C2 ZINC000027326150 561853733 /nfs/dbraw/zinc/85/37/33/561853733.db2.gz XMJCFEKRSSAQAP-BLXACNBASA-N 1 0 595.850 4.172 1 0 KIAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCc3ccccc3Cl)nc(Cl)c2-c2ccccc2)cc1 ZINC000027328901 561854319 /nfs/dbraw/zinc/85/43/19/561854319.db2.gz MAOAARIQBMMVDV-UHFFFAOYSA-N 1 0 549.462 4.472 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)NC2CCCCC2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027411600 561856428 /nfs/dbraw/zinc/85/64/28/561856428.db2.gz UIYMGYPWPKYRMS-YENCJLLLSA-N 1 0 638.854 4.466 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCCN(C(=O)NC2CCCCC2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027411607 561856454 /nfs/dbraw/zinc/85/64/54/561856454.db2.gz UIYMGYPWPKYRMS-NKHHQPSRSA-N 1 0 638.854 4.466 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCCN(C(=O)NC2CCCCC2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027411613 561856411 /nfs/dbraw/zinc/85/64/11/561856411.db2.gz UIYMGYPWPKYRMS-PPSLNNBKSA-N 1 0 638.854 4.466 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCCN(C(=O)NC2CCCCC2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027411619 561856409 /nfs/dbraw/zinc/85/64/09/561856409.db2.gz UIYMGYPWPKYRMS-XCUDZRBYSA-N 1 0 638.854 4.466 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027412472 561856552 /nfs/dbraw/zinc/85/65/52/561856552.db2.gz SSIFKGIALREMAH-KEPSJGTLSA-N 1 0 617.791 4.264 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027412477 561856568 /nfs/dbraw/zinc/85/65/68/561856568.db2.gz SSIFKGIALREMAH-HDXYBINASA-N 1 0 617.791 4.264 1 0 KIAFRO CC(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000027412595 561856667 /nfs/dbraw/zinc/85/66/67/561856667.db2.gz WXTUSDAECZMEAT-JBENSDGMSA-N 1 0 674.843 4.223 1 0 KIAFRO CC(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000027412601 561856708 /nfs/dbraw/zinc/85/67/08/561856708.db2.gz WXTUSDAECZMEAT-BXZHGNOFSA-N 1 0 674.843 4.223 1 0 KIAFRO CC(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000027412607 561856705 /nfs/dbraw/zinc/85/67/05/561856705.db2.gz WXTUSDAECZMEAT-BEKQSKLNSA-N 1 0 674.843 4.223 1 0 KIAFRO CC(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000027412613 561856694 /nfs/dbraw/zinc/85/66/94/561856694.db2.gz WXTUSDAECZMEAT-DVUQNLQVSA-N 1 0 674.843 4.223 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415419 561857087 /nfs/dbraw/zinc/85/70/87/561857087.db2.gz WUJRAAAJGYHYTA-IORAELEFSA-N 1 0 617.791 4.264 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415427 561857066 /nfs/dbraw/zinc/85/70/66/561857066.db2.gz WUJRAAAJGYHYTA-OOWRYOQSSA-N 1 0 617.791 4.264 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415431 561857059 /nfs/dbraw/zinc/85/70/59/561857059.db2.gz WUJRAAAJGYHYTA-GUSUARRKSA-N 1 0 617.791 4.264 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415437 561857045 /nfs/dbraw/zinc/85/70/45/561857045.db2.gz WUJRAAAJGYHYTA-YCWZKWCFSA-N 1 0 617.791 4.264 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415840 561857086 /nfs/dbraw/zinc/85/70/86/561857086.db2.gz HSTRUSOTIJTOSZ-BRBTZGCTSA-N 1 0 657.816 4.140 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415846 561857074 /nfs/dbraw/zinc/85/70/74/561857074.db2.gz HSTRUSOTIJTOSZ-CARQOULDSA-N 1 0 657.816 4.140 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415852 561857067 /nfs/dbraw/zinc/85/70/67/561857067.db2.gz HSTRUSOTIJTOSZ-LFTSXLRWSA-N 1 0 657.816 4.140 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027415858 561857082 /nfs/dbraw/zinc/85/70/82/561857082.db2.gz HSTRUSOTIJTOSZ-WMMPDGNWSA-N 1 0 657.816 4.140 1 0 KIAFRO COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC([NH+]2CCCCC2)CC1)C(C)=O ZINC000027420245 561857539 /nfs/dbraw/zinc/85/75/39/561857539.db2.gz CVXJAPZTZWLRBP-MUUNZHRXSA-N 1 0 559.755 4.203 1 0 in-man KIAFRO COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC([NH+]2CCCCC2)CC1)C(C)=O ZINC000027420249 561857588 /nfs/dbraw/zinc/85/75/88/561857588.db2.gz CVXJAPZTZWLRBP-NDEPHWFRSA-N 1 0 559.755 4.203 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCCN(C(=O)Cc2cc(F)cc(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421603 561857860 /nfs/dbraw/zinc/85/78/60/561857860.db2.gz LOMHJRAARMWEBF-PGDIMSPDSA-N 1 0 667.798 4.471 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCCN(C(=O)Cc2cc(F)cc(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421609 561857840 /nfs/dbraw/zinc/85/78/40/561857840.db2.gz LOMHJRAARMWEBF-LTQBFOOTSA-N 1 0 667.798 4.471 1 0 KIAFRO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCCN(C(=O)Cc2cc(F)cc(F)c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421616 561857847 /nfs/dbraw/zinc/85/78/47/561857847.db2.gz LOMHJRAARMWEBF-KBRSJVFNSA-N 1 0 667.798 4.471 1 0 KIAFRO CC[NH+](CC)C[C@H](O)CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000027434505 561859826 /nfs/dbraw/zinc/85/98/26/561859826.db2.gz CBRMDCUVIUQYMX-WNCULLNHSA-N 1 0 534.060 4.375 1 0 KIAFRO CC[NH+](CC)C[C@H](O)CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000027434510 561859851 /nfs/dbraw/zinc/85/98/51/561859851.db2.gz CBRMDCUVIUQYMX-HOFKKMOUSA-N 1 0 534.060 4.375 1 0 KIAFRO O=C(CC[NH+]1CCCCC1)NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000027435190 561859992 /nfs/dbraw/zinc/85/99/92/561859992.db2.gz CDOZOPYVRWCAHF-SSEXGKCCSA-N 1 0 640.273 4.230 1 0 KIAFRO CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(C[NH+]1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 ZINC000027519140 561862896 /nfs/dbraw/zinc/86/28/96/561862896.db2.gz FNPGOESBQFZCTB-JGCGQSQUSA-N 1 0 562.759 4.433 1 0 KIAFRO CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(C[NH+]1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 ZINC000027519141 561862913 /nfs/dbraw/zinc/86/29/13/561862913.db2.gz FNPGOESBQFZCTB-YTTGMZPUSA-N 1 0 562.759 4.433 1 0 KIAFRO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)N(C)CCC[NH+](C)C)Cc1ccccc1 ZINC000027523238 561864872 /nfs/dbraw/zinc/86/48/72/561864872.db2.gz WJZUWJNVPZQSMP-AJISXOSTSA-N 1 0 685.976 4.053 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027526285 561866303 /nfs/dbraw/zinc/86/63/03/561866303.db2.gz PKOIYURUOMCFSD-XMMPIXPASA-N 1 0 562.017 4.053 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027526287 561866334 /nfs/dbraw/zinc/86/63/34/561866334.db2.gz PKOIYURUOMCFSD-DEOSSOPVSA-N 1 0 562.017 4.053 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000027526578 561866432 /nfs/dbraw/zinc/86/64/32/561866432.db2.gz YPRBAEIXVWNGTP-RUZDIDTESA-N 1 0 583.085 4.160 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1cccc(Cl)c1 ZINC000027526580 561866345 /nfs/dbraw/zinc/86/63/45/561866345.db2.gz YPRBAEIXVWNGTP-VWLOTQADSA-N 1 0 583.085 4.160 1 0 KIAFRO COc1ccc(C2C3(CO)C4N(Cc5ccccc5)C5C2(CO)C2[NH+](Cc6ccccc6)C3C4(CO)C(c3ccc(OC)cc3)C52CO)cc1 ZINC000027526656 561866403 /nfs/dbraw/zinc/86/64/03/561866403.db2.gz KHINCBPWOGOUFE-UHFFFAOYSA-N 1 0 674.838 4.033 1 0 KIAFRO COCC1=C(C(=O)OC)[C@@H](c2ccc(F)c(F)c2)N(C(=O)NCCC[NH+]2CCC(C)(c3ccccc3)CC2)C(=O)N1 ZINC000027527027 561866514 /nfs/dbraw/zinc/86/65/14/561866514.db2.gz HVNJSMJGJDSBBV-AREMUKBSSA-N 1 0 570.637 4.258 1 0 KIAFRO COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCC[NH+]2CCC(C)(c3ccccc3)CC2)C(=O)N1 ZINC000027527028 561866521 /nfs/dbraw/zinc/86/65/21/561866521.db2.gz HVNJSMJGJDSBBV-SANMLTNESA-N 1 0 570.637 4.258 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027527077 561866549 /nfs/dbraw/zinc/86/65/49/561866549.db2.gz FUAZJQZXKXKCSP-RUZDIDTESA-N 1 0 556.610 4.216 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027527078 561866527 /nfs/dbraw/zinc/86/65/27/561866527.db2.gz FUAZJQZXKXKCSP-VWLOTQADSA-N 1 0 556.610 4.216 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)N2CCC([NH+]3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027527170 561866692 /nfs/dbraw/zinc/86/66/92/561866692.db2.gz GAQHMLXJZZLREV-HHHXNRCGSA-N 1 0 610.658 4.269 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)N2CCC([NH+]3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027527171 561866670 /nfs/dbraw/zinc/86/66/70/561866670.db2.gz GAQHMLXJZZLREV-MHZLTWQESA-N 1 0 610.658 4.269 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000027527232 561866779 /nfs/dbraw/zinc/86/67/79/561866779.db2.gz LMLCPHRNHLEZIN-RUZDIDTESA-N 1 0 583.085 4.160 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000027527233 561866792 /nfs/dbraw/zinc/86/67/92/561866792.db2.gz LMLCPHRNHLEZIN-VWLOTQADSA-N 1 0 583.085 4.160 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(OC(C)=O)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027527234 561866814 /nfs/dbraw/zinc/86/68/14/561866814.db2.gz YARZXKRRRMSSKW-AREMUKBSSA-N 1 0 584.620 4.132 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(OC(C)=O)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027527235 561866763 /nfs/dbraw/zinc/86/67/63/561866763.db2.gz YARZXKRRRMSSKW-SANMLTNESA-N 1 0 584.620 4.132 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027547095 561867096 /nfs/dbraw/zinc/86/70/96/561867096.db2.gz IIGHIMZENWTPRU-XMMPIXPASA-N 1 0 562.017 4.053 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027547099 561867088 /nfs/dbraw/zinc/86/70/88/561867088.db2.gz IIGHIMZENWTPRU-DEOSSOPVSA-N 1 0 562.017 4.053 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027548057 561867342 /nfs/dbraw/zinc/86/73/42/561867342.db2.gz KTTHVCJSRNMDJY-XMMPIXPASA-N 1 0 595.569 4.419 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027548060 561867303 /nfs/dbraw/zinc/86/73/03/561867303.db2.gz KTTHVCJSRNMDJY-DEOSSOPVSA-N 1 0 595.569 4.419 1 0 KIAFRO CNC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1 ZINC000027548162 561867312 /nfs/dbraw/zinc/86/73/12/561867312.db2.gz KIAURGGQAXXCJA-CUBQBAPOSA-N 1 0 597.826 4.215 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC3(CC2)OCCc2ccccc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000027548333 561867315 /nfs/dbraw/zinc/86/73/15/561867315.db2.gz PIXIENULWHGBCZ-AREMUKBSSA-N 1 0 568.621 4.142 1 0 KIAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC3(CC2)OCCc2ccccc23)[C@H]1c1ccc(F)c(F)c1 ZINC000027548337 561867443 /nfs/dbraw/zinc/86/74/43/561867443.db2.gz PIXIENULWHGBCZ-SANMLTNESA-N 1 0 568.621 4.142 1 0 KIAFRO CC[C@@H](C)[C@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C ZINC000027548631 561867528 /nfs/dbraw/zinc/86/75/28/561867528.db2.gz ZQTHHPUGDXRPQI-LFFNECLGSA-N 1 0 553.788 4.464 1 0 KIAFRO CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C ZINC000027548635 561867510 /nfs/dbraw/zinc/86/75/10/561867510.db2.gz ZQTHHPUGDXRPQI-CBRQMUPRSA-N 1 0 553.788 4.464 1 0 KIAFRO COCC1=C(C(=O)OC)[C@H](c2cc(F)c(F)c(F)c2)N(C(=O)N2CCC([NH+]3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 ZINC000027548743 561867501 /nfs/dbraw/zinc/86/75/01/561867501.db2.gz IAPFEDPQSKFUSX-NDEPHWFRSA-N 1 0 658.674 4.035 1 0 KIAFRO O=C(N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)NCc1ccccc1)OCc1ccccc1 ZINC000027549683 561867737 /nfs/dbraw/zinc/86/77/37/561867737.db2.gz SGPQDFMDKOJYMP-OJDZSJEKSA-N 1 0 537.660 4.360 1 0 KIAFRO CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@@H](CO)c1ccccc1 ZINC000027550521 561867938 /nfs/dbraw/zinc/86/79/38/561867938.db2.gz PNGOCPMGIVWTMO-JFKVGHNISA-N 1 0 680.846 4.424 1 0 KIAFRO CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](CO)c1ccccc1 ZINC000027550524 561867888 /nfs/dbraw/zinc/86/78/88/561867888.db2.gz PNGOCPMGIVWTMO-BHSUMJALSA-N 1 0 680.846 4.424 1 0 KIAFRO CN(C(=O)N1CCC2(CCc3ccccc32)CC1)[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCC[NH3+] ZINC000027551261 561868079 /nfs/dbraw/zinc/86/80/79/561868079.db2.gz XKNUACAJSZCRGE-MUUNZHRXSA-N 1 0 515.702 4.356 1 0 KIAFRO CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000027551842 561868138 /nfs/dbraw/zinc/86/81/38/561868138.db2.gz LLWRLGQRKBKXDC-SOTIRQLOSA-N 1 0 692.857 4.349 1 0 KIAFRO CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000027551846 561868223 /nfs/dbraw/zinc/86/82/23/561868223.db2.gz LLWRLGQRKBKXDC-CAOUHOJHSA-N 1 0 692.857 4.349 1 0 KIAFRO CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000027551854 561868194 /nfs/dbraw/zinc/86/81/94/561868194.db2.gz LLWRLGQRKBKXDC-ICSVSLQJSA-N 1 0 692.857 4.349 1 0 KIAFRO CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027551858 561868166 /nfs/dbraw/zinc/86/81/66/561868166.db2.gz LLWRLGQRKBKXDC-ZXIGSNBESA-N 1 0 692.857 4.349 1 0 KIAFRO [NH3+]CCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc32)CC1 ZINC000027555832 561869652 /nfs/dbraw/zinc/86/96/52/561869652.db2.gz IBAWFPDAZBAXMO-HHHXNRCGSA-N 1 0 501.675 4.014 1 0 KIAFRO CCCOc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1 ZINC000027557691 561869885 /nfs/dbraw/zinc/86/98/85/561869885.db2.gz HXXAYMXHFNKBEO-JOCHJYFZSA-N 1 0 604.708 4.241 1 0 KIAFRO CCCOc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1-c1nc2cc3ncn(Cc4ccccc4)c3cc2c(=O)[nH]1 ZINC000027560772 561870624 /nfs/dbraw/zinc/87/06/24/561870624.db2.gz QWFCEVDDFSJYET-JOCHJYFZSA-N 1 0 586.718 4.102 1 0 KIAFRO CCCOc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1-c1nc2cc3ncn(Cc4ccccc4)c3cc2c(=O)[nH]1 ZINC000027560774 561870594 /nfs/dbraw/zinc/87/05/94/561870594.db2.gz QWFCEVDDFSJYET-QFIPXVFZSA-N 1 0 586.718 4.102 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[N@H+](CC2(c3ccccc3)CC2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027562971 561871199 /nfs/dbraw/zinc/87/11/99/561871199.db2.gz IUEDHFWXEUQWPL-NEVYJOAUSA-N 1 0 652.880 4.004 1 0 KIAFRO COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c(C[NH3+])c1 ZINC000027564441 561871815 /nfs/dbraw/zinc/87/18/15/561871815.db2.gz DLEIXRRRDBCOKW-UHFFFAOYSA-N 1 0 563.533 4.064 1 0 KIAFRO CCOC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)[NH3+])c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 ZINC000027620080 561872365 /nfs/dbraw/zinc/87/23/65/561872365.db2.gz AJKIEWKQNYUUAZ-MUUNZHRXSA-N 1 0 615.841 4.163 1 0 KIAFRO CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)[NH3+])c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 ZINC000027620086 561872395 /nfs/dbraw/zinc/87/23/95/561872395.db2.gz AJKIEWKQNYUUAZ-NDEPHWFRSA-N 1 0 615.841 4.163 1 0 KIAFRO CC(=O)N1CCN(C2C[NH+](CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)C2)CC1 ZINC000027622901 561872833 /nfs/dbraw/zinc/87/28/33/561872833.db2.gz NMGGACXWAFDXAC-LJAQVGFWSA-N 1 0 543.539 4.292 1 0 KIAFRO CC(=O)N1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)C2)CC1 ZINC000027622905 561872780 /nfs/dbraw/zinc/87/27/80/561872780.db2.gz NMGGACXWAFDXAC-GDLZYMKVSA-N 1 0 543.539 4.292 1 0 KIAFRO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000027634694 561874268 /nfs/dbraw/zinc/87/42/68/561874268.db2.gz JKBFYXSIBZYMCW-AREMUKBSSA-N 1 0 559.155 4.214 1 0 KIAFRO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000027634699 561874295 /nfs/dbraw/zinc/87/42/95/561874295.db2.gz JKBFYXSIBZYMCW-SANMLTNESA-N 1 0 559.155 4.214 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000027638534 561874985 /nfs/dbraw/zinc/87/49/85/561874985.db2.gz LULHPKFDNFSVFW-RXVVDRJESA-N 1 0 561.512 4.460 1 0 KIAFRO NC(=[NH2+])c1cccc(-n2cc(Br)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000027643663 561875588 /nfs/dbraw/zinc/87/55/88/561875588.db2.gz ANGHTIRCRHAEKI-UHFFFAOYSA-N 1 0 538.427 4.091 1 0 KIAFRO NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C[NH3+])c2)c(F)c1 ZINC000027649794 561876435 /nfs/dbraw/zinc/87/64/35/561876435.db2.gz NMOZOQNFWYWZQF-UHFFFAOYSA-N 1 0 533.507 4.056 1 0 KIAFRO CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C(N)=[NH2+])c2)cc1 ZINC000027651651 561876667 /nfs/dbraw/zinc/87/66/67/561876667.db2.gz HTIXLULNBZFLJX-UHFFFAOYSA-N 1 0 527.528 4.498 1 0 KIAFRO CCCCCN(CCCCC)C(=O)[C@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCC[NH2+]CC(N)=O)C1 ZINC000027654121 561877238 /nfs/dbraw/zinc/87/72/38/561877238.db2.gz OIUDTQFPVHQGHZ-FIBWVYCGSA-N 1 0 606.812 4.425 1 0 KIAFRO CCCCN(C(=O)[C@H](Cc1ccc(C(=[NH2+])NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1 ZINC000027654498 561877226 /nfs/dbraw/zinc/87/72/26/561877226.db2.gz QLZQGYSBTYMWRK-MHZLTWQESA-N 1 0 535.714 4.089 1 0 KIAFRO COc1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2Cl)cc1N1CC[NH2+]CC1 ZINC000027654790 561877323 /nfs/dbraw/zinc/87/73/23/561877323.db2.gz PJRLYYYMLZBORD-UHFFFAOYSA-N 1 0 539.677 4.084 1 0 KIAFRO COc1c(I)cc(C[C@H]2[NH2+]CCc3ccccc32)cc1I ZINC000027655633 561877448 /nfs/dbraw/zinc/87/74/48/561877448.db2.gz OMUAKAPAFNBMJR-MRXNPFEDSA-N 1 0 505.137 4.334 1 0 KIAFRO Cc1nc2cc3c4c(cccc4C(=O)N(CC[NH+](C)CCN4C(=O)c5cccc6c7[nH]c(C)nc7cc(c65)C4=O)C3=O)c2[nH]1 ZINC000027655860 561877555 /nfs/dbraw/zinc/87/75/55/561877555.db2.gz FGSMFXSTAIDHIV-UHFFFAOYSA-N 1 0 585.624 4.186 1 0 KIAFRO Cc1ncc(/C=C/C=C/C(=O)NCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(CO)c1O ZINC000027656371 561877676 /nfs/dbraw/zinc/87/76/76/561877676.db2.gz SEPVNXLJOLWFBQ-GONBZBRSSA-N 1 0 540.708 4.461 1 0 KIAFRO Cc1nc2cc3c4c(cccc4C(=O)N(CCCNCC[NH2+]CCCN4C(=O)c5cccc6c7[nH]c(C)nc7cc(c65)C4=O)C3=O)c2[nH]1 ZINC000027656453 561877644 /nfs/dbraw/zinc/87/76/44/561877644.db2.gz KVWSMKXPHZIFKL-UHFFFAOYSA-N 1 0 642.720 4.214 1 0 KIAFRO COc1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2Br)cc1N1CC[NH2+]CC1 ZINC000027656913 561877796 /nfs/dbraw/zinc/87/77/96/561877796.db2.gz GMGKSUSKKGJKNX-UHFFFAOYSA-N 1 0 584.128 4.193 1 0 KIAFRO Cc1nc2cc3c4c(cccc4C(=O)N(CCN(C)CC[N@H+](C)CCN4C(=O)c5cccc6c7[nH]c(C)nc7cc(c65)C4=O)C3=O)c2[nH]1 ZINC000027656919 561877774 /nfs/dbraw/zinc/87/77/74/561877774.db2.gz GPHJRLRNOLITHM-UHFFFAOYSA-N 1 0 642.720 4.118 1 0 KIAFRO Cc1ncc(/C=C/C=C/C(=O)NCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(CO)c1O ZINC000027657382 561878055 /nfs/dbraw/zinc/87/80/55/561878055.db2.gz ORXZURZEIHERAF-BVXMOGEKSA-N 1 0 526.681 4.071 1 0 KIAFRO COc1ccc(S(=O)(=O)Nc2cc(Br)cc(Cl)c2Br)cc1N1CC[NH2+]CC1 ZINC000027657463 561878064 /nfs/dbraw/zinc/87/80/64/561878064.db2.gz PMALUVZYQDIKRE-UHFFFAOYSA-N 1 0 539.677 4.084 1 0 KIAFRO CC[C@@]12C(=O)N(C)[C@@]3(CCC(C)(C)[C@]4(CNc5c4ccc4c5OC=CC(C)(C)O4)C3)C[N@H+]1CC[C@@]2(C)O ZINC000027722535 561880745 /nfs/dbraw/zinc/88/07/45/561880745.db2.gz ZHCYNVOXSFDSQB-XAZDILKDSA-N 1 0 509.691 4.440 1 0 KIAFRO O=c1cc(NCCC[NH2+]Cc2cc(I)cc(I)c2)[nH]c2ccccc12 ZINC000027726319 561880980 /nfs/dbraw/zinc/88/09/80/561880980.db2.gz SVTNHQPASYOZIH-UHFFFAOYSA-N 1 0 559.189 4.329 1 0 KIAFRO CCOC(=O)c1cc(I)c(OCC)c(C[NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c1 ZINC000027730229 561881288 /nfs/dbraw/zinc/88/12/88/561881288.db2.gz UANHSJIFRCXLKV-UHFFFAOYSA-N 1 0 549.409 4.300 1 0 KIAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc([C@H](C)NC(=O)OC(C)(C)C)n3)c(F)c2)CC1 ZINC000027732976 561881406 /nfs/dbraw/zinc/88/14/06/561881406.db2.gz KQMLIJMCXXSYMR-LEWJYISDSA-N 1 0 628.702 4.176 1 0 KIAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027733992 561881564 /nfs/dbraw/zinc/88/15/64/561881564.db2.gz IDONGVNKVPYXAW-OAQYLSRUSA-N 1 0 561.614 4.257 1 0 KIAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(Cc4ccccc4)n3)c(F)c2)CC1 ZINC000027735804 561881815 /nfs/dbraw/zinc/88/18/15/561881815.db2.gz NZIWWXXYJYDWBM-JOCHJYFZSA-N 1 0 575.641 4.181 1 0 KIAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc([C@@H](C)NC(=O)OC(C)(C)C)n3)c(F)c2)CC1 ZINC000027736791 561882046 /nfs/dbraw/zinc/88/20/46/561882046.db2.gz KQMLIJMCXXSYMR-NHCUHLMSSA-N 1 0 628.702 4.176 1 0 KIAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027736837 561881993 /nfs/dbraw/zinc/88/19/93/561881993.db2.gz IDWWRQHTZWPOJT-OAQYLSRUSA-N 1 0 567.662 4.323 1 0 KIAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(-c4cccs4)n3)c(F)c2)CC1 ZINC000027738533 561882142 /nfs/dbraw/zinc/88/21/42/561882142.db2.gz YVNSBLCTIQVJBN-LJQANCHMSA-N 1 0 567.643 4.319 1 0 KIAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(CCc4ccccc4)n3)c(F)c2)CC1 ZINC000027739150 561882345 /nfs/dbraw/zinc/88/23/45/561882345.db2.gz PLQMHKOGESLEAH-HSZRJFAPSA-N 1 0 589.668 4.376 1 0 KIAFRO C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027739338 561882291 /nfs/dbraw/zinc/88/22/91/561882291.db2.gz WKWJUQTTZUDKNB-OAQYLSRUSA-N 1 0 557.711 4.462 1 0 KIAFRO CC(C)C(=O)N[C@H](C)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027740128 561882296 /nfs/dbraw/zinc/88/22/96/561882296.db2.gz NLKWDBAORLNPOM-OAQYLSRUSA-N 1 0 543.684 4.072 1 0 KIAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)OCCc1ccccc1 ZINC000027741100 561882507 /nfs/dbraw/zinc/88/25/07/561882507.db2.gz FWZKNXOQDVISEU-JKROCSJBSA-N 1 0 517.666 4.192 1 0 KIAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(-c4ccsc4)n3)c(F)c2)CC1 ZINC000027741332 561882581 /nfs/dbraw/zinc/88/25/81/561882581.db2.gz OXUHVZMFCIGLOI-LJQANCHMSA-N 1 0 567.643 4.319 1 0 KIAFRO CCC(CC)c1nc(-c2ccc(OCCC[N@@H+]3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000027742647 561882588 /nfs/dbraw/zinc/88/25/88/561882588.db2.gz QZNJPARICZTXNN-HXUWFJFHSA-N 1 0 555.651 4.494 1 0 KIAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(CC(C)(C)C)n3)c(F)c2)CC1 ZINC000027743928 561882826 /nfs/dbraw/zinc/88/28/26/561882826.db2.gz QOCWCOZYHILLNX-HXUWFJFHSA-N 1 0 555.651 4.179 1 0 KIAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(C4CCCC4)n3)c(F)c2)CC1 ZINC000027744120 561882756 /nfs/dbraw/zinc/88/27/56/561882756.db2.gz AHOYJVPDAHEACX-HXUWFJFHSA-N 1 0 553.635 4.248 1 0 KIAFRO CC(C)CC(=O)N[C@H](C)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027744289 561882807 /nfs/dbraw/zinc/88/28/07/561882807.db2.gz BRGMVVCLDYDRKL-JOCHJYFZSA-N 1 0 557.711 4.462 1 0 KIAFRO CCOC(=O)c1cc(I)cc(C[NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c1OCC ZINC000027745807 561882922 /nfs/dbraw/zinc/88/29/22/561882922.db2.gz GKLBVZJALSLVJC-UHFFFAOYSA-N 1 0 549.409 4.300 1 0 KIAFRO NC(=[NH2+])c1cccc(-c2noc(C(F)(F)F)c2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000027747661 561883068 /nfs/dbraw/zinc/88/30/68/561883068.db2.gz NBCIJTOXVLEBOC-UHFFFAOYSA-N 1 0 529.500 4.211 1 0 KIAFRO C[C@H](C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000027748631 561883070 /nfs/dbraw/zinc/88/30/70/561883070.db2.gz XWZIDQGZIJLOBZ-GFWOCNNDSA-N 1 0 668.883 4.368 1 0 KIAFRO CN(C)C1=C(c2c3ccccc3n(CCCSC(N)=[NH2+])c2-c2cc3ccccc3s2)C(=O)NC1=O ZINC000027753841 561883508 /nfs/dbraw/zinc/88/35/08/561883508.db2.gz AZIMEXGKUWHPQV-UHFFFAOYSA-N 1 0 503.653 4.469 1 0 KIAFRO C[NH+](C)C[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CCF)CC1 ZINC000027847723 561885726 /nfs/dbraw/zinc/88/57/26/561885726.db2.gz OHEJBNYJWFTDRJ-JDXGNMNLSA-N 1 0 595.785 4.154 1 0 KIAFRO COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[NH+](C2CCCCC2)CC1)C(C)=O ZINC000027848266 561885692 /nfs/dbraw/zinc/88/56/92/561885692.db2.gz HCKQHXNWJMHBJT-NDEPHWFRSA-N 1 0 559.755 4.203 1 0 KIAFRO CCNC(=[NH2+])c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 ZINC000027851078 561886098 /nfs/dbraw/zinc/88/60/98/561886098.db2.gz LMHFMJFERYSQOC-SANMLTNESA-N 1 0 506.672 4.067 1 0 KIAFRO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cnccc1N[C@@H](Cc1ccccc1)C[NH+]1CCC(O)CC1)N1CCC(CCF)CC1 ZINC000027852790 561886157 /nfs/dbraw/zinc/88/61/57/561886157.db2.gz UPFAWOKQVCBIPR-DITALETJSA-N 1 0 651.849 4.049 1 0 KIAFRO CC[NH+](CC)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000027855227 561886492 /nfs/dbraw/zinc/88/64/92/561886492.db2.gz ZVLYIDBICZMRIN-FIRIVFDPSA-N 1 0 588.196 4.272 1 0 KIAFRO O=C1N(Cc2ccc(F)c(F)c2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000027855296 561886500 /nfs/dbraw/zinc/88/65/00/561886500.db2.gz VYGFYOQPAGZNSF-PMERELPUSA-N 1 0 607.683 4.469 1 0 KIAFRO O=c1n(CCCC(F)(F)F)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000027855898 561886502 /nfs/dbraw/zinc/88/65/02/561886502.db2.gz HSZKIHQOXWXCHQ-SANMLTNESA-N 1 0 589.640 4.043 1 0 KIAFRO O=c1n(Cc2ccc(F)c(F)c2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000027862379 561887300 /nfs/dbraw/zinc/88/73/00/561887300.db2.gz CTGXQQIZDHNORP-PMERELPUSA-N 1 0 605.667 4.027 1 0 KIAFRO Cc1cc(=O)oc2c1cc(C[NH3+])c1c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)C(C)(C)O1 ZINC000027864612 561887593 /nfs/dbraw/zinc/88/75/93/561887593.db2.gz BVNMXUHSVLFCGQ-CTAQNPQRSA-N 1 0 665.736 4.471 1 0 KIAFRO CCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)C1=O ZINC000027865308 561887750 /nfs/dbraw/zinc/88/77/50/561887750.db2.gz SROLEUZTAAWHPK-NDEPHWFRSA-N 1 0 551.713 4.180 1 0 KIAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH+]2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000027868232 561887980 /nfs/dbraw/zinc/88/79/80/561887980.db2.gz SOBBJOLUFXBEDA-ROJLCIKYSA-N 1 0 600.207 4.417 1 0 KIAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH+]2CCCC2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000027868242 561888004 /nfs/dbraw/zinc/88/80/04/561888004.db2.gz JOOPNFJVFRUCMV-FIRIVFDPSA-N 1 0 586.180 4.026 1 0 KIAFRO COc1ccc([C@@H]2Cc3c(C(=O)OCc4ccccc4)cccc3N(CC[NH+](C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000027869651 561888120 /nfs/dbraw/zinc/88/81/20/561888120.db2.gz MGDJOKNDZYQISS-LITSAYRRSA-N 1 0 530.621 4.218 1 0 KIAFRO CNC(=O)CN(C)S(=O)(=O)c1cc(CC[NH+]2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)ccc1OC ZINC000027903429 561891220 /nfs/dbraw/zinc/89/12/20/561891220.db2.gz DCXRGWVYOWTQNN-UHFFFAOYSA-N 1 0 656.699 4.357 1 0 KIAFRO COc1ccc(CC[NH+]2CCC(c3nc(COCC(F)(F)F)c(-c4ccccc4)o3)CC2)cc1S(=O)(=O)NCCNC(C)=O ZINC000027903435 561891216 /nfs/dbraw/zinc/89/12/16/561891216.db2.gz NWTLWXKQBHKMKH-UHFFFAOYSA-N 1 0 638.709 4.266 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000027903536 561891208 /nfs/dbraw/zinc/89/12/08/561891208.db2.gz ZAAHWJMMDZYDIP-AIJSXJMQSA-N 1 0 575.794 4.166 1 0 KIAFRO NC(=O)C1(c2ccccc2)CC[NH+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3cnccn3)CO2)CC1 ZINC000027981151 561891658 /nfs/dbraw/zinc/89/16/58/561891658.db2.gz ANHLAQSORCGQGS-NDEPHWFRSA-N 1 0 554.478 4.018 1 0 KIAFRO CC(=O)NC[C@H]1CN(c2ccc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(F)c2)C(=O)O1 ZINC000027982378 561891804 /nfs/dbraw/zinc/89/18/04/561891804.db2.gz OCCZKHWCHQSLOY-VWLOTQADSA-N 1 0 502.590 4.199 1 0 KIAFRO COc1ccc(CC[NH+]2CCC(c3nc(COCC(F)(F)F)c(-c4ccccc4)o3)CC2)cc1S(N)(=O)=O ZINC000027984334 561892037 /nfs/dbraw/zinc/89/20/37/561892037.db2.gz YLKJMHRORGKQTD-UHFFFAOYSA-N 1 0 553.603 4.499 1 0 KIAFRO CNC(=O)CN(C)S(=O)(=O)c1cc(CC[NH+]2CCC(c3nc(COCC(F)(F)F)c(-c4ccccc4)o3)CC2)ccc1OC ZINC000027987332 561892508 /nfs/dbraw/zinc/89/25/08/561892508.db2.gz DMDXQCRHMGXJPV-UHFFFAOYSA-N 1 0 638.709 4.218 1 0 KIAFRO C[NH+]1CCC(NC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027988849 561892622 /nfs/dbraw/zinc/89/26/22/561892622.db2.gz DPUOYNLDETWCLN-XMMPIXPASA-N 1 0 532.914 4.107 1 0 KIAFRO C[NH+]1CCC(NC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027988854 561892618 /nfs/dbraw/zinc/89/26/18/561892618.db2.gz DPUOYNLDETWCLN-DEOSSOPVSA-N 1 0 532.914 4.107 1 0 KIAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCN(c4ncccn4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000027994088 561893439 /nfs/dbraw/zinc/89/34/39/561893439.db2.gz GKKVDJJSVNVCKD-LJAQVGFWSA-N 1 0 602.519 4.347 1 0 KIAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC4(CC3)NC(=O)Cc3ccccc34)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC ZINC000027995206 561893648 /nfs/dbraw/zinc/89/36/48/561893648.db2.gz ROGIFLJEBLNKAV-UMSFTDKQSA-N 1 0 621.681 4.370 1 0 KIAFRO C[NH2+][C@H](Cc1c(C)cc(OCc2ccccc2)cc1C)C(=O)N[C@H](C)C(=O)NCCCc1ccccc1 ZINC000027995596 561893763 /nfs/dbraw/zinc/89/37/63/561893763.db2.gz OJUQZDCQNMKNFP-FUFSCUOVSA-N 1 0 501.671 4.267 1 0 KIAFRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000027996035 561893935 /nfs/dbraw/zinc/89/39/35/561893935.db2.gz FFALBTXIOBRXDI-ZJSXRUAMSA-N 1 0 532.914 4.107 1 0 KIAFRO C[N@@H+]1CCC[C@H](NC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000027996042 561893909 /nfs/dbraw/zinc/89/39/09/561893909.db2.gz FFALBTXIOBRXDI-XUZZJYLKSA-N 1 0 532.914 4.107 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCSC1 ZINC000027996204 561893921 /nfs/dbraw/zinc/89/39/21/561893921.db2.gz IXEYLCQSFFPEAX-HBEKHWMPSA-N 1 0 529.791 4.013 1 0 KIAFRO O=C(c1ccccc1)N1CCC([NH+]2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000027998606 561894248 /nfs/dbraw/zinc/89/42/48/561894248.db2.gz DHUILUBJUXEWSH-UHFFFAOYSA-N 1 0 548.661 4.396 1 0 KIAFRO COc1ccc(CC[N@H+](C)CCOc2ccc(NS(C)(=O)=O)cc2OCc2ccccc2)cc1OC ZINC000028000411 561894602 /nfs/dbraw/zinc/89/46/02/561894602.db2.gz YTAJTMPBUANDJE-UHFFFAOYSA-N 1 0 514.644 4.208 1 0 KIAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC4(CC3)NC(=O)Cc3ccccc34)(c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000028000926 561894705 /nfs/dbraw/zinc/89/47/05/561894705.db2.gz OWDUVTPJISEXQB-UMSFTDKQSA-N 1 0 603.691 4.231 1 0 KIAFRO Cc1ccccc1COc1cc(C)c(C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)NCCCc2ccccc2)c(C)c1 ZINC000028001925 561894768 /nfs/dbraw/zinc/89/47/68/561894768.db2.gz YWITUADJTIOBRD-GIGWZHCTSA-N 1 0 501.671 4.314 1 0 KIAFRO Cc1ccccc1COc1cc(C)c(C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)NCCCc2ccccc2)c(C)c1 ZINC000028001931 561894842 /nfs/dbraw/zinc/89/48/42/561894842.db2.gz YWITUADJTIOBRD-FUFSCUOVSA-N 1 0 501.671 4.314 1 0 KIAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000028003058 561895036 /nfs/dbraw/zinc/89/50/36/561895036.db2.gz PGMJNEIEEWHYAR-XIFFEERXSA-N 1 0 591.680 4.086 1 0 KIAFRO COc1cc(C(=O)N2CO[C@](CC[NH+]3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(F)c(F)c3)C2)cc(OC)c1OC ZINC000028003067 561895106 /nfs/dbraw/zinc/89/51/06/561895106.db2.gz MPSGQIMDPKNSOT-XIFFEERXSA-N 1 0 609.670 4.225 1 0 KIAFRO O=C(COc1ccccc1)N1CCC([NH+]2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000028003427 561895029 /nfs/dbraw/zinc/89/50/29/561895029.db2.gz OVBNJSSOZPDVDB-UHFFFAOYSA-N 1 0 578.687 4.161 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCSC1 ZINC000028003609 561895248 /nfs/dbraw/zinc/89/52/48/561895248.db2.gz IXEYLCQSFFPEAX-YECVLQETSA-N 1 0 529.791 4.013 1 0 KIAFRO Clc1ccc(N2CCN(c3nc(Cc4ccc5ccccc5c4)nc(N4CC[NH2+]CC4)n3)CC2)cc1 ZINC000028004469 561895344 /nfs/dbraw/zinc/89/53/44/561895344.db2.gz LYYKUBWDOVGPNT-UHFFFAOYSA-N 1 0 500.050 4.005 1 0 KIAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000028006743 561895578 /nfs/dbraw/zinc/89/55/78/561895578.db2.gz PXEZIOFUCJJKFY-RUZDIDTESA-N 1 0 523.641 4.015 1 0 KIAFRO CC(C)([NH3+])CC(=O)N[C@H]1CCCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000028006747 561895670 /nfs/dbraw/zinc/89/56/70/561895670.db2.gz PXEZIOFUCJJKFY-VWLOTQADSA-N 1 0 523.641 4.015 1 0 KIAFRO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)C1CCOCC1 ZINC000028011505 561896510 /nfs/dbraw/zinc/89/65/10/561896510.db2.gz UPKJJEYRBBFKPJ-NSOVKSMOSA-N 1 0 551.728 4.373 1 0 KIAFRO CC(=[NH2+])N1CCC(N(C(=O)CCC(=O)[O-])c2ccc3nc(C)n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000028013037 561896677 /nfs/dbraw/zinc/89/66/77/561896677.db2.gz RFKOWMIZGSXCQX-UHFFFAOYSA-N 1 0 553.667 4.490 1 0 KIAFRO CC(=[NH2+])N1CCC(Oc2ccc3c(c2)nc(CCC(=O)[O-])n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1 ZINC000028016876 561897578 /nfs/dbraw/zinc/89/75/78/561897578.db2.gz RGTGCSLUNYBBSA-UHFFFAOYSA-N 1 0 512.614 4.379 1 0 KIAFRO CCCC(=O)OCC1(N(C(=O)CCC)c2ccccc2)CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000028017965 561897748 /nfs/dbraw/zinc/89/77/48/561897748.db2.gz RLEUUOVNZPGDGZ-UHFFFAOYSA-N 1 0 519.642 4.294 1 0 KIAFRO CC(=[NH2+])N1CCC(N(C(=O)CCC(=O)[O-])c2ccc3c(c2)nc(C)n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1 ZINC000028086356 561899166 /nfs/dbraw/zinc/89/91/66/561899166.db2.gz JKWDWQBTVBGNBV-UHFFFAOYSA-N 1 0 553.667 4.490 1 0 KIAFRO CC(=[NH2+])N1CCC(Oc2ccc3nc(CCC(=O)[O-])n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000028091378 561899966 /nfs/dbraw/zinc/89/99/66/561899966.db2.gz XIGZPTTUWNOELV-UHFFFAOYSA-N 1 0 512.614 4.379 1 0 KIAFRO COc1cc2c(cc1OC)CC(=O)N(CCC[N@H+](C)CCc1c[nH]c3ccc(Br)cc13)CC2 ZINC000028091551 561899904 /nfs/dbraw/zinc/89/99/04/561899904.db2.gz JXVJQVNCEKQSRP-UHFFFAOYSA-N 1 0 514.464 4.439 1 0 KIAFRO CCOC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OCC)(C1=O)[C@@H](c1ccc(Cl)cc1)N(C)[C@@H]2c1ccc(Cl)cc1 ZINC000028092732 561900220 /nfs/dbraw/zinc/90/02/20/561900220.db2.gz QRAPNWUNVRQZHN-VLHNATBGSA-N 1 0 533.452 4.335 1 0 KIAFRO COc1cc2scc(CC[N@@H+](C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC ZINC000028093319 561900370 /nfs/dbraw/zinc/90/03/70/561900370.db2.gz OXBCVVAXJMRDEY-UHFFFAOYSA-N 1 0 512.672 4.428 1 0 KIAFRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)c(C(=O)Nc3ccc(Br)cn3)c2)CC1 ZINC000028093657 561900388 /nfs/dbraw/zinc/90/03/88/561900388.db2.gz WIWDJWUWHPRFSL-UHFFFAOYSA-N 1 0 649.571 4.415 1 0 KIAFRO CN(CCN(C)C(N)=[NH2+])Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028094890 561900615 /nfs/dbraw/zinc/90/06/15/561900615.db2.gz UGACPOVJDYQPKA-UHFFFAOYSA-N 1 0 528.444 4.150 1 0 KIAFRO CC(C)C(=O)OCC1(N(C(=O)C(C)C)c2ccccc2)CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000028094936 561900664 /nfs/dbraw/zinc/90/06/64/561900664.db2.gz QEEAFVCKZLXQPU-UHFFFAOYSA-N 1 0 519.642 4.006 1 0 KIAFRO CCC(=O)N(c1ccccc1)C1(COC(=O)C(C)(C)C)CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000028096661 561900892 /nfs/dbraw/zinc/90/08/92/561900892.db2.gz BIUKMFODELOTLP-UHFFFAOYSA-N 1 0 519.642 4.150 1 0 KIAFRO C[N@@H+]1CCC[C@H]1CCNCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000028098178 561901125 /nfs/dbraw/zinc/90/11/25/561901125.db2.gz YZWIGOVHAHQNDZ-DEOSSOPVSA-N 1 0 645.459 4.302 1 0 KIAFRO COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(I)cc2)CCC[C@H]1C[NH+](C)C ZINC000028108815 561902735 /nfs/dbraw/zinc/90/27/35/561902735.db2.gz SRJSNQDRXQQERZ-HNNXBMFYSA-N 1 0 524.424 4.473 1 0 KIAFRO COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(I)cc2)CCC[C@@H]1C[NH+](C)C ZINC000028108819 561902743 /nfs/dbraw/zinc/90/27/43/561902743.db2.gz SRJSNQDRXQQERZ-OAHLLOKOSA-N 1 0 524.424 4.473 1 0 KIAFRO C[NH+]1CCN(C/C=C/c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@H]2NS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000028118980 561904238 /nfs/dbraw/zinc/90/42/38/561904238.db2.gz PRHSSTWRJVSBAX-BDLHEBNOSA-N 1 0 506.137 4.134 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[N@H+](C)Cc3ccccn3)c2=O)c1F ZINC000028120212 561904343 /nfs/dbraw/zinc/90/43/43/561904343.db2.gz GNHTXKCFQXOQTQ-SFHVURJKSA-N 1 0 538.570 4.375 1 0 KIAFRO CC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4cc(C)ccc43)CC2)C1 ZINC000028127442 561905042 /nfs/dbraw/zinc/90/50/42/561905042.db2.gz ZTHGWVXYACTZKO-DEOSSOPVSA-N 1 0 577.129 4.066 1 0 KIAFRO CC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4cc(C)ccc43)CC2)C1 ZINC000028127448 561905059 /nfs/dbraw/zinc/90/50/59/561905059.db2.gz ZTHGWVXYACTZKO-XMMPIXPASA-N 1 0 577.129 4.066 1 0 KIAFRO CCn1c2ccccc2n(C2CC[NH+](C[C@@H](O)Cn3nc(-c4ccc(Cl)c(C)c4)c4c3CCN(C(C)=O)C4)CC2)c1=O ZINC000028127727 561905254 /nfs/dbraw/zinc/90/52/54/561905254.db2.gz PEXDLWBUMIDYPL-RUZDIDTESA-N 1 0 591.156 4.251 1 0 KIAFRO CCn1c2ccccc2n(C2CC[NH+](C[C@H](O)Cn3nc(-c4ccc(Cl)c(C)c4)c4c3CCN(C(C)=O)C4)CC2)c1=O ZINC000028127737 561905213 /nfs/dbraw/zinc/90/52/13/561905213.db2.gz PEXDLWBUMIDYPL-VWLOTQADSA-N 1 0 591.156 4.251 1 0 KIAFRO COc1cccc(-c2c3n(c(=O)n(C[C@@H]([NH3+])c4ccccc4)c2=O)[C@H](c2ccccc2F)CS3)c1F ZINC000028131931 561905828 /nfs/dbraw/zinc/90/58/28/561905828.db2.gz DDZZTYJJVYSXAZ-RTWAWAEBSA-N 1 0 507.562 4.359 1 0 KIAFRO COc1cccc(-c2c3n(c(=O)n(C[C@@H]([NH3+])c4ccccc4)c2=O)[C@@H](c2ccccc2F)CS3)c1F ZINC000028131938 561905799 /nfs/dbraw/zinc/90/57/99/561905799.db2.gz DDZZTYJJVYSXAZ-NHCUHLMSSA-N 1 0 507.562 4.359 1 0 KIAFRO COc1cccc(-c2c3n(c(=O)n(C[C@H]([NH3+])c4ccccc4)c2=O)[C@H](c2ccccc2F)CS3)c1F ZINC000028131943 561905826 /nfs/dbraw/zinc/90/58/26/561905826.db2.gz DDZZTYJJVYSXAZ-SFTDATJTSA-N 1 0 507.562 4.359 1 0 KIAFRO COc1cccc(-c2c3n(c(=O)n(C[C@H]([NH3+])c4ccccc4)c2=O)[C@@H](c2ccccc2F)CS3)c1F ZINC000028131950 561905783 /nfs/dbraw/zinc/90/57/83/561905783.db2.gz DDZZTYJJVYSXAZ-LEWJYISDSA-N 1 0 507.562 4.359 1 0 KIAFRO COc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CCN(C(=O)N(C)[C@@H]4CC[N@@H+](C5CCC(C)(C)CC5)C4)C3)cc2)nn1 ZINC000028132984 561906023 /nfs/dbraw/zinc/90/60/23/561906023.db2.gz DHPBRSFFIAFGAK-CLJLJLNGSA-N 1 0 548.732 4.393 1 0 KIAFRO COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)[C@@H]4CC[N@@H+](C5CCC(C)(C)CC5)C4)C3)cc2)nn1 ZINC000028132991 561906029 /nfs/dbraw/zinc/90/60/29/561906029.db2.gz DHPBRSFFIAFGAK-IZZNHLLZSA-N 1 0 548.732 4.393 1 0 KIAFRO COc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CCN(C(=O)N(C)[C@H]4CC[N@@H+](C5CCC(C)(C)CC5)C4)C3)cc2)nn1 ZINC000028132999 561906060 /nfs/dbraw/zinc/90/60/60/561906060.db2.gz DHPBRSFFIAFGAK-FTJBHMTQSA-N 1 0 548.732 4.393 1 0 KIAFRO COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)[C@H]4CC[N@@H+](C5CCC(C)(C)CC5)C4)C3)cc2)nn1 ZINC000028133005 561906037 /nfs/dbraw/zinc/90/60/37/561906037.db2.gz DHPBRSFFIAFGAK-UIOOFZCWSA-N 1 0 548.732 4.393 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2CCC[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)C1 ZINC000028134431 561906337 /nfs/dbraw/zinc/90/63/37/561906337.db2.gz XONZZCVVDBXKTI-UHFFFAOYSA-N 1 0 613.582 4.001 1 0 KIAFRO C[NH2+]C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c[nH]c2ccccc12 ZINC000028225212 561907880 /nfs/dbraw/zinc/90/78/80/561907880.db2.gz BYHBAFGSDKUBQB-ROJLCIKYSA-N 1 0 617.754 4.200 1 0 KIAFRO CC(C)CC[NH2+]CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028232804 561909312 /nfs/dbraw/zinc/90/93/12/561909312.db2.gz WLIIIXJGJDXNEA-YDPTYEFTSA-N 1 0 654.897 4.415 1 0 KIAFRO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1cccc2c1C[C@H]([NH+]1CCC(c3ccccc3)CC1)[C@H](O)C2 ZINC000028237526 561909928 /nfs/dbraw/zinc/90/99/28/561909928.db2.gz VBSAHTODVWLUOD-MKUBVAFBSA-N 1 0 548.753 4.059 1 0 KIAFRO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1cccc2c1C[C@H]([NH+]1CCC(c3ccccc3)CC1)[C@@H](O)C2 ZINC000028237532 561909931 /nfs/dbraw/zinc/90/99/31/561909931.db2.gz VBSAHTODVWLUOD-KGEMVMTLSA-N 1 0 548.753 4.059 1 0 KIAFRO CC(C)CC[NH2+]C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028238171 561910078 /nfs/dbraw/zinc/91/00/78/561910078.db2.gz PACVOWSOSKLHLK-ORYMTKCHSA-N 1 0 640.870 4.025 1 0 KIAFRO C[C@H](C(=O)NCCC[NH2+]CCCC[NH3+])[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000028242771 561910581 /nfs/dbraw/zinc/91/05/81/561910581.db2.gz LDSFGRNESZQSPK-XYGPKYNASA-N 1 0 553.810 4.224 1 0 KIAFRO CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)c1=O ZINC000028253490 561911134 /nfs/dbraw/zinc/91/11/34/561911134.db2.gz IRCYGJPCVBVIGB-LJAQVGFWSA-N 1 0 563.724 4.281 1 0 KIAFRO CCOc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+](C)CCc3ccccn3)c2=O)cc1 ZINC000028257151 561911626 /nfs/dbraw/zinc/91/16/26/561911626.db2.gz NEBRVJPYFRVBHS-UHFFFAOYSA-N 1 0 534.607 4.280 1 0 KIAFRO Cc1c(-c2ccc3c(c2)OC(F)(F)O3)c(=O)n(CC[N@@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000028257240 561911574 /nfs/dbraw/zinc/91/15/74/561911574.db2.gz GTKRATWSXSFSLO-UHFFFAOYSA-N 1 0 570.543 4.203 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+](C)CCc3ccccn3)c2=O)c1F ZINC000028259395 561912054 /nfs/dbraw/zinc/91/20/54/561912054.db2.gz ADYYHGJMWPGLSW-UHFFFAOYSA-N 1 0 538.570 4.029 1 0 KIAFRO COCc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+](C)CCc3ccccn3)c2=O)c1 ZINC000028259750 561912025 /nfs/dbraw/zinc/91/20/25/561912025.db2.gz JBHULFMIYCSOJN-UHFFFAOYSA-N 1 0 534.607 4.028 1 0 KIAFRO COCc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+](C)CCc3ccccn3)c2=O)cc1 ZINC000028260034 561912016 /nfs/dbraw/zinc/91/20/16/561912016.db2.gz TUQMGXVTSMZXMC-UHFFFAOYSA-N 1 0 534.607 4.028 1 0 KIAFRO Cn1ncnc1-c1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)CC(C)(C)[NH3+])C2=O)cc1 ZINC000028264538 561912503 /nfs/dbraw/zinc/91/25/03/561912503.db2.gz DIAHWZXETGDZLD-AREMUKBSSA-N 1 0 522.653 4.241 1 0 KIAFRO COC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000028330658 561912732 /nfs/dbraw/zinc/91/27/32/561912732.db2.gz GMQWTMNVHFNNDE-HHHXNRCGSA-N 1 0 553.700 4.488 1 0 KIAFRO COC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc2[C@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000028330664 561912739 /nfs/dbraw/zinc/91/27/39/561912739.db2.gz GMQWTMNVHFNNDE-MHZLTWQESA-N 1 0 553.700 4.488 1 0 KIAFRO CC[NH+](CC)CCN1c2cc(C(N)=O)cc(C(F)(F)F)c2[C@](O)(c2cccc(Cl)c2Cl)C1=O ZINC000028331934 561912797 /nfs/dbraw/zinc/91/27/97/561912797.db2.gz HRHGLQFTMKTBNI-OAQYLSRUSA-N 1 0 504.336 4.035 1 0 KIAFRO CC[NH+](CC)CCN1c2cc(C(N)=O)cc(C(F)(F)F)c2[C@](O)(c2c(Cl)cccc2Cl)C1=O ZINC000028332456 561912943 /nfs/dbraw/zinc/91/29/43/561912943.db2.gz WEBGHWZLLGNMIW-NRFANRHFSA-N 1 0 504.336 4.035 1 0 KIAFRO CCc1cc(NC(=O)NC[C@H]2C[N@H+](CCc3ccc(F)cc3)CC[C@@H]2C(F)(F)F)cc(-c2nnnn2C)c1 ZINC000028332593 561912958 /nfs/dbraw/zinc/91/29/58/561912958.db2.gz PIGWHTLHRNYGHV-REWPJTCUSA-N 1 0 533.574 4.443 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028336273 561913366 /nfs/dbraw/zinc/91/33/66/561913366.db2.gz YOGWOSPRCUIBPH-UHFFFAOYSA-N 1 0 519.711 4.412 1 0 KIAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028336288 561913386 /nfs/dbraw/zinc/91/33/86/561913386.db2.gz OXTVZNSEMSDNET-QHCPKHFHSA-N 1 0 617.072 4.468 1 0 KIAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028336296 561913321 /nfs/dbraw/zinc/91/33/21/561913321.db2.gz OXTVZNSEMSDNET-HSZRJFAPSA-N 1 0 617.072 4.468 1 0 KIAFRO CC[NH+](CC)CCN1c2cc(C(N)=O)cc(C(F)(F)F)c2[C@](O)(c2cc(Cl)ccc2Cl)C1=O ZINC000028339755 561913872 /nfs/dbraw/zinc/91/38/72/561913872.db2.gz QJLWDZGJAPJSLF-OAQYLSRUSA-N 1 0 504.336 4.035 1 0 KIAFRO C=Cc1cccc(S(=O)(=O)N2C[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(C(=[NH2+])NO)c3)C(=O)N2CCCC)c1 ZINC000028340427 561914001 /nfs/dbraw/zinc/91/40/01/561914001.db2.gz LOSXNLZJNVKDHD-FQLXRVMXSA-N 1 0 591.734 4.250 1 0 KIAFRO CC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028341011 561914047 /nfs/dbraw/zinc/91/40/47/561914047.db2.gz SVNPCROCRJHPKS-QHCPKHFHSA-N 1 0 597.547 4.411 1 0 KIAFRO CC(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028341328 561914114 /nfs/dbraw/zinc/91/41/14/561914114.db2.gz YMWXFHIGGJQKOO-QHCPKHFHSA-N 1 0 627.971 4.212 1 0 KIAFRO CC(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028341335 561914099 /nfs/dbraw/zinc/91/40/99/561914099.db2.gz YMWXFHIGGJQKOO-HSZRJFAPSA-N 1 0 627.971 4.212 1 0 KIAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C(=O)N(C)C)C(C)C ZINC000028341684 561914278 /nfs/dbraw/zinc/91/42/78/561914278.db2.gz BOIVLFUUNQDGFV-MUUNZHRXSA-N 1 0 566.743 4.403 1 0 KIAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C(=O)N(C)C)C(C)C ZINC000028341691 561914247 /nfs/dbraw/zinc/91/42/47/561914247.db2.gz BOIVLFUUNQDGFV-NDEPHWFRSA-N 1 0 566.743 4.403 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCC[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)C1 ZINC000028342144 561914240 /nfs/dbraw/zinc/91/42/40/561914240.db2.gz QSFYIXJDDHTGHC-UHFFFAOYSA-N 1 0 602.683 4.257 1 0 KIAFRO CC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccc(Cl)cc43)CC2)C1 ZINC000028344911 561914611 /nfs/dbraw/zinc/91/46/11/561914611.db2.gz SVNPCROCRJHPKS-HSZRJFAPSA-N 1 0 597.547 4.411 1 0 KIAFRO Cn1c2ccccc2n(C2CC[NH+](CCCn3nc(-c4ccc(Br)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c1=O ZINC000028344972 561914575 /nfs/dbraw/zinc/91/45/75/561914575.db2.gz GSWZHKVFOIAGIM-UHFFFAOYSA-N 1 0 627.609 4.011 1 0 KIAFRO CCc1cc(I)c2c(c1)[C@H]([NH2+]CCCNc1nc3ccccc3c(=O)[nH]1)CCN2 ZINC000028347127 561914972 /nfs/dbraw/zinc/91/49/72/561914972.db2.gz SFIPHHPETJSJIE-GOSISDBHSA-N 1 0 503.388 4.039 1 0 KIAFRO CCc1cc(I)c2c(c1)[C@@H]([NH2+]CCCNc1nc3ccccc3c(=O)[nH]1)CCN2 ZINC000028347134 561915052 /nfs/dbraw/zinc/91/50/52/561915052.db2.gz SFIPHHPETJSJIE-SFHVURJKSA-N 1 0 503.388 4.039 1 0 KIAFRO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1 ZINC000028350588 561915502 /nfs/dbraw/zinc/91/55/02/561915502.db2.gz OTQHQYHEJTZPAP-DSXODZLMSA-N 1 0 588.196 4.361 1 0 KIAFRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1 ZINC000028350598 561915509 /nfs/dbraw/zinc/91/55/09/561915509.db2.gz OTQHQYHEJTZPAP-FPHQXIGGSA-N 1 0 588.196 4.361 1 0 KIAFRO C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1 ZINC000028350607 561915523 /nfs/dbraw/zinc/91/55/23/561915523.db2.gz OTQHQYHEJTZPAP-JEVIFJNESA-N 1 0 588.196 4.361 1 0 KIAFRO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1 ZINC000028350617 561915483 /nfs/dbraw/zinc/91/54/83/561915483.db2.gz OTQHQYHEJTZPAP-ZITMISKDSA-N 1 0 588.196 4.361 1 0 KIAFRO O=c1[nH]c2cc3c(cc2c2c1[C@@H]([NH+]1CCN(Cc4ccccc4I)CC1)CCC2)OCO3 ZINC000028351254 561915537 /nfs/dbraw/zinc/91/55/37/561915537.db2.gz ZOCWJZPBGDXIES-NRFANRHFSA-N 1 0 543.405 4.057 1 0 KIAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNc2cc[nH+]cc2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000028351754 561915549 /nfs/dbraw/zinc/91/55/49/561915549.db2.gz UJMYWFUCFYSTOT-ROJLCIKYSA-N 1 0 609.174 4.438 1 0 KIAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)C1CCCCC1 ZINC000028352871 561915781 /nfs/dbraw/zinc/91/57/81/561915781.db2.gz POEZATUULFKDOM-ULOHSEQHSA-N 1 0 590.850 4.305 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1 ZINC000028353529 561915958 /nfs/dbraw/zinc/91/59/58/561915958.db2.gz BAGJQDYWVPCFCU-UHFFFAOYSA-N 1 0 533.410 4.378 1 0 KIAFRO CN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028357180 561916273 /nfs/dbraw/zinc/91/62/73/561916273.db2.gz XAWOJZLTWLRVIH-UHFFFAOYSA-N 1 0 505.684 4.022 1 0 KIAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccc(C)c(C)c1 ZINC000028357610 561916296 /nfs/dbraw/zinc/91/62/96/561916296.db2.gz WFQOBPYJVNOFOW-YIIIQPLQSA-N 1 0 612.856 4.293 1 0 KIAFRO CCc1cc(I)c2c(c1)[C@H]([NH2+]CCCNc1nc3ccsc3c(=O)[nH]1)CCN2 ZINC000028360915 561916931 /nfs/dbraw/zinc/91/69/31/561916931.db2.gz VYUAKIIZKWCRSV-OAHLLOKOSA-N 1 0 509.417 4.100 1 0 KIAFRO CCc1cc(I)c2c(c1)[C@@H]([NH2+]CCCNc1nc3ccsc3c(=O)[nH]1)CCN2 ZINC000028360922 561916914 /nfs/dbraw/zinc/91/69/14/561916914.db2.gz VYUAKIIZKWCRSV-HNNXBMFYSA-N 1 0 509.417 4.100 1 0 KIAFRO C[C@H](Cc1c[nH]c2c1cccc2OS(C)(=O)=O)[NH2+]C[C@H](O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000028361146 561916853 /nfs/dbraw/zinc/91/68/53/561916853.db2.gz WYTFAQBIDABWBM-KOSHJBKYSA-N 1 0 507.612 4.013 1 0 KIAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1cccc(Cl)c1 ZINC000028361948 561916920 /nfs/dbraw/zinc/91/69/20/561916920.db2.gz FAKMBIXSYRHYEN-PGSBPHPFSA-N 1 0 619.247 4.330 1 0 KIAFRO CC(C)[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(NCC(c4ccccc4)c4ccccc4)c(C(=O)N4CCOCC4)c3)CC2)CC1 ZINC000028362389 561917010 /nfs/dbraw/zinc/91/70/10/561917010.db2.gz XVHVQLPQBYHTFF-UHFFFAOYSA-N 1 0 687.907 4.356 1 0 KIAFRO CCCCN1C(=O)N(Cc2cccc(C(=[NH2+])NO)c2)[C@H](Cc2ccccc2)[C@H](O)CN1S(=O)(=O)c1cccc(Br)c1 ZINC000028362875 561917031 /nfs/dbraw/zinc/91/70/31/561917031.db2.gz UPCOYPXTOPBLBS-KAYWLYCHSA-N 1 0 644.592 4.369 1 0 KIAFRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCCNc1nc2ccccc2c(=O)[nH]1 ZINC000028367436 561917850 /nfs/dbraw/zinc/91/78/50/561917850.db2.gz BXULCERCCBVXLY-UHFFFAOYSA-N 1 0 510.230 4.439 1 0 KIAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCCC[C@@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028368334 561917915 /nfs/dbraw/zinc/91/79/15/561917915.db2.gz PBFRWJJGPRKHQC-YZMNQAMLSA-N 1 0 598.829 4.067 1 0 KIAFRO CS(=O)(=O)N1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 ZINC000028369746 561918078 /nfs/dbraw/zinc/91/80/78/561918078.db2.gz RLGPTGUOPADAMO-HHHXNRCGSA-N 1 0 621.622 4.331 1 0 KIAFRO O=C1OC2(CCC([NH+]3CCN(Cc4ccccc4I)CC3)CC2)c2ccc3c(c21)OCCO3 ZINC000028372222 561918447 /nfs/dbraw/zinc/91/84/47/561918447.db2.gz SXCGDIMFBDIGBX-UHFFFAOYSA-N 1 0 560.432 4.189 1 0 KIAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CN2CCC([NH+]3CCCC3)CC2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000028373422 561918710 /nfs/dbraw/zinc/91/87/10/561918710.db2.gz QVIOVFPHSRHZBE-LQFQNGICSA-N 1 0 669.314 4.491 1 0 KIAFRO CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([NH2+]C)C(C)(C)c1cccc(C)c1)C(C)(C)C ZINC000028374104 561918911 /nfs/dbraw/zinc/91/89/11/561918911.db2.gz LDNWPCLRKRDKLB-LFIGKCIUSA-N 1 0 515.739 4.384 1 0 KIAFRO C[C@@H]([NH2+]C1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028374228 561918921 /nfs/dbraw/zinc/91/89/21/561918921.db2.gz NHYYWMLPJGZTLX-SNKHRSMISA-N 1 0 586.180 4.244 1 0 KIAFRO C[C@H]([NH2+]C1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028374236 561918970 /nfs/dbraw/zinc/91/89/70/561918970.db2.gz NHYYWMLPJGZTLX-WQBWHMICSA-N 1 0 586.180 4.244 1 0 KIAFRO O=C1OC2(CCC([NH+]3CCN(Cc4ccccc4I)CC3)CC2)c2ccc3c(c21)OCO3 ZINC000028374766 561918906 /nfs/dbraw/zinc/91/89/06/561918906.db2.gz CCHHLBQBHAVHHW-UHFFFAOYSA-N 1 0 546.405 4.146 1 0 KIAFRO NC(=[NH2+])c1ccc2c(c1)nc(CN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccc(OC3CCN(C(N)=[NH2+])CC3)cc1)n2CC(=O)NC1CCCCC1 ZINC000028376825 561919412 /nfs/dbraw/zinc/91/94/12/561919412.db2.gz PSEDNLMKRNJBSO-UHFFFAOYSA-N 1 0 693.809 4.051 1 0 KIAFRO NC(=[NH2+])c1ccc2c(c1)nc(CN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccc(O[C@@H]3CC[NH2+]C3)cc1)n2CC(=O)NC1CCCCC1 ZINC000028380990 561920092 /nfs/dbraw/zinc/92/00/92/561920092.db2.gz XYJFZXSMOULDOT-MUUNZHRXSA-N 1 0 637.741 4.055 1 0 KIAFRO NC(=[NH2+])c1ccc2c(c1)nc(CN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccc(O[C@H]3CC[NH2+]C3)cc1)n2CC(=O)NC1CCCCC1 ZINC000028381000 561920154 /nfs/dbraw/zinc/92/01/54/561920154.db2.gz XYJFZXSMOULDOT-NDEPHWFRSA-N 1 0 637.741 4.055 1 0 KIAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]C2CCCC2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000028382576 561920356 /nfs/dbraw/zinc/92/03/56/561920356.db2.gz NAWJMOMXCKISGL-ROJLCIKYSA-N 1 0 600.207 4.463 1 0 KIAFRO COc1cc2c(cc1OCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccc(C(F)(F)F)nc2)CC1 ZINC000028383246 561920496 /nfs/dbraw/zinc/92/04/96/561920496.db2.gz KMPKNQLUSHGOEZ-UHFFFAOYSA-N 1 0 589.688 4.114 1 0 KIAFRO COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@@H](O)CN1CC[NH+](CCCO)CC1 ZINC000028383414 561920590 /nfs/dbraw/zinc/92/05/90/561920590.db2.gz KQIMPZBHGGTIQL-IBGZPJMESA-N 1 0 586.076 4.329 1 0 KIAFRO COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@H](O)CN1CC[NH+](CCCO)CC1 ZINC000028383422 561920474 /nfs/dbraw/zinc/92/04/74/561920474.db2.gz KQIMPZBHGGTIQL-LJQANCHMSA-N 1 0 586.076 4.329 1 0 KIAFRO COc1cc2c(cc1OCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccc(C)nc2Cl)CC1 ZINC000028387719 561921502 /nfs/dbraw/zinc/92/15/02/561921502.db2.gz CGOFUAFJIPNUDQ-UHFFFAOYSA-N 1 0 570.163 4.057 1 0 KIAFRO CCC[NH+]1CCC(Oc2nccc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)n2)CC1 ZINC000028388586 561921667 /nfs/dbraw/zinc/92/16/67/561921667.db2.gz DVMJSHGIQHMARR-UHFFFAOYSA-N 1 0 531.661 4.266 1 0 KIAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccc(Cl)nc2)CC1 ZINC000028389794 561921921 /nfs/dbraw/zinc/92/19/21/561921921.db2.gz ZELUTGAIVPBDRM-UHFFFAOYSA-N 1 0 570.163 4.138 1 0 KIAFRO COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2cc1OCC[NH+](C)C ZINC000028392328 561922559 /nfs/dbraw/zinc/92/25/59/561922559.db2.gz NCPGAWWKQPXOSS-UHFFFAOYSA-N 1 0 557.655 4.115 1 0 KIAFRO CC[NH+](CC)CCCNc1cc(Nc2cc(NC(=O)c3ccnc(N4CCOCC4)c3)ccc2C)ncn1 ZINC000028392651 561922655 /nfs/dbraw/zinc/92/26/55/561922655.db2.gz VKSDOOMLUNEYPR-UHFFFAOYSA-N 1 0 518.666 4.156 1 0 KIAFRO CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H]([NH2+]C)C(C)(C)c1cccc(C)c1)C(C)(C)C ZINC000028392920 561922611 /nfs/dbraw/zinc/92/26/11/561922611.db2.gz LDNWPCLRKRDKLB-CQDKBKGHSA-N 1 0 515.739 4.384 1 0 KIAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccc(Cl)cc3)CCCCC2)CC1 ZINC000028393490 561922803 /nfs/dbraw/zinc/92/28/03/561922803.db2.gz CGKUTBSWLCOVOW-AREMUKBSSA-N 1 0 623.025 4.300 1 0 KIAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccc(Br)cc3)CCCCC2)CC1 ZINC000028394003 561922781 /nfs/dbraw/zinc/92/27/81/561922781.db2.gz GTOCQEZVOHHFJA-AREMUKBSSA-N 1 0 667.476 4.409 1 0 KIAFRO CS(=O)(=O)c1ccc2[nH]c(NC(=O)c3ccc(CNC(=O)[C@@H](Cc4ccccc4)c4c[nH]c5ccc(C(N)=[NH2+])cc54)cc3)nc2c1 ZINC000028394202 561922773 /nfs/dbraw/zinc/92/27/73/561922773.db2.gz KYRYSUCVLCYOAP-SANMLTNESA-N 1 0 633.734 4.049 1 0 KIAFRO CS(=O)(=O)c1ccc2[nH]c(NC(=O)c3ccc(CNC(=O)[C@H](Cc4ccccc4)c4c[nH]c5ccc(C(N)=[NH2+])cc54)cc3)nc2c1 ZINC000028394209 561922780 /nfs/dbraw/zinc/92/27/80/561922780.db2.gz KYRYSUCVLCYOAP-AREMUKBSSA-N 1 0 633.734 4.049 1 0 KIAFRO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000028396298 561923188 /nfs/dbraw/zinc/92/31/88/561923188.db2.gz IEFKJRFEVBPDOZ-MSOLQXFVSA-N 1 0 510.582 4.216 1 0 KIAFRO COCc1nc(=O)n(C(=O)CCC[NH+]2CCC(c3cccc(NC(C)=O)c3)CC2)c(-c2ccc(F)c(F)c2)c1C(=O)OC ZINC000028397777 561923456 /nfs/dbraw/zinc/92/34/56/561923456.db2.gz MAPHPKUFZFWMNK-UHFFFAOYSA-N 1 0 596.631 4.380 1 0 KIAFRO CN1CC[NH+]=C1c1ccc(CCNC(=O)C[C@@H]2C(=O)Nc3ccc(Cl)cc3N2S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000028456213 561923702 /nfs/dbraw/zinc/92/37/02/561923702.db2.gz HVOUBEKGFNNHEI-GDLZYMKVSA-N 1 0 616.143 4.450 1 0 KIAFRO CCNC(=O)c1ccc(C(c2ccc(S(N)(=O)=O)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028456541 561923916 /nfs/dbraw/zinc/92/39/16/561923916.db2.gz QHUQHHJZWPTKAU-PLQXJYEYSA-N 1 0 505.640 4.306 1 0 KIAFRO O=C(C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000028457004 561923957 /nfs/dbraw/zinc/92/39/57/561923957.db2.gz BVRFXIANOFPFCV-MUUNZHRXSA-N 1 0 602.116 4.108 1 0 KIAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Cc3ccc(Cl)cc3)CCCCC2)CC1 ZINC000028458084 561924252 /nfs/dbraw/zinc/92/42/52/561924252.db2.gz TZYMHANBLBRGLT-HHHXNRCGSA-N 1 0 637.052 4.229 1 0 KIAFRO NC(=O)c1cc(C(=O)N2CCC(c3cc(C[NH3+])ccc3F)CC2)cc(-c2nc(-c3cccs3)no2)c1 ZINC000028458114 561924445 /nfs/dbraw/zinc/92/44/45/561924445.db2.gz FSYLSIDSZSXSDO-UHFFFAOYSA-N 1 0 505.575 4.182 1 0 KIAFRO CN(C)c1ccc(NC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1 ZINC000028461605 561925370 /nfs/dbraw/zinc/92/53/70/561925370.db2.gz UJMODYFKSLVIIE-MUUNZHRXSA-N 1 0 646.664 4.104 1 0 KIAFRO COc1ccc(NC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1 ZINC000028462318 561925520 /nfs/dbraw/zinc/92/55/20/561925520.db2.gz CSHVYARKHCTISE-HHHXNRCGSA-N 1 0 633.621 4.047 1 0 KIAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Nc3ccc(F)cc3)CCCCC2)CC1 ZINC000028462664 561925678 /nfs/dbraw/zinc/92/56/78/561925678.db2.gz HUKAGJLKDQIYKN-AREMUKBSSA-N 1 0 621.585 4.177 1 0 KIAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[C@H]3CC[C@@H]2[NH2+]C3)CC1 ZINC000028462910 561925690 /nfs/dbraw/zinc/92/56/90/561925690.db2.gz KHTORJRLHSSEND-HBMTYJCASA-N 1 0 568.778 4.345 1 0 KIAFRO [NH3+][C@@H](Cn1c(=O)c(-c2cccc(O)c2F)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000028475291 561927872 /nfs/dbraw/zinc/92/78/72/561927872.db2.gz DMCFVTPQXWWYQE-NRFANRHFSA-N 1 0 517.454 4.428 1 0 KIAFRO COc1cccc(-c2cn(Cc3c(F)cccc3SC)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000028477217 561928515 /nfs/dbraw/zinc/92/85/15/561928515.db2.gz GDIPAULZBZQATF-QFIPXVFZSA-N 1 0 509.578 4.434 1 0 KIAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2nc(N(C)CCC[NH+]3CCCC3)sc2c1 ZINC000028520805 561929081 /nfs/dbraw/zinc/92/90/81/561929081.db2.gz QOOZUVAZLBMAPP-RAJOBRQESA-N 1 0 729.966 4.325 1 0 KIAFRO CS(=O)(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028522290 561929476 /nfs/dbraw/zinc/92/94/76/561929476.db2.gz QAXITFSKADWRCD-RUZDIDTESA-N 1 0 595.618 4.196 1 0 KIAFRO NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028523026 561929809 /nfs/dbraw/zinc/92/98/09/561929809.db2.gz PALXFDQOOVCVKL-FNTODRPOSA-N 1 0 630.793 4.491 1 0 KIAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028523030 561929807 /nfs/dbraw/zinc/92/98/07/561929807.db2.gz FYBQSBASELLFTJ-IGBKUBFESA-N 1 0 637.612 4.060 1 0 KIAFRO C[C@H](NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])c1cc(Cl)ccc1C[NH3+] ZINC000028524061 561930632 /nfs/dbraw/zinc/93/06/32/561930632.db2.gz LKTSCUAWRZESAE-AWEZNQCLSA-N 1 0 510.372 4.104 1 0 KIAFRO C[C@H]([NH3+])c1ccc(Cl)cc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-] ZINC000028524245 561930749 /nfs/dbraw/zinc/93/07/49/561930749.db2.gz RZXZUAALRUDJDI-AWEZNQCLSA-N 1 0 510.372 4.104 1 0 KIAFRO C[C@@H](NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])c1cc(Cl)ccc1C[NH3+] ZINC000028524322 561930680 /nfs/dbraw/zinc/93/06/80/561930680.db2.gz LKTSCUAWRZESAE-CQSZACIVSA-N 1 0 510.372 4.104 1 0 KIAFRO C[C@@H]([NH3+])c1ccc(Cl)cc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-] ZINC000028524475 561930869 /nfs/dbraw/zinc/93/08/69/561930869.db2.gz RZXZUAALRUDJDI-CQSZACIVSA-N 1 0 510.372 4.104 1 0 KIAFRO CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCCOCCOCC[NH+](CCO)CCO)cc2)[C@H]1O ZINC000028525441 561931340 /nfs/dbraw/zinc/93/13/40/561931340.db2.gz RXYHGJFABSSDSJ-VSJLXWSYSA-N 1 0 678.933 4.098 1 0 KIAFRO CC(C)OCCNc1ncc(-c2ccncc2)cc1C(=O)NC1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000028525804 561931621 /nfs/dbraw/zinc/93/16/21/561931621.db2.gz VUKJLBVYYGLZME-UHFFFAOYSA-N 1 0 517.630 4.104 1 0 KIAFRO CCCN1C[C@]2(NS1(=O)=O)[C@@H]1CC[C@H]2Cc2ccc(/C=C/C[NH+]3CCC(C(F)(F)F)CC3)cc2C1 ZINC000028527028 561932308 /nfs/dbraw/zinc/93/23/08/561932308.db2.gz JBFAXAHPSSWXDS-AVUJOCAMSA-N 1 0 511.654 4.398 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(C(N)=O)cc2)CC1 ZINC000028528574 561933153 /nfs/dbraw/zinc/93/31/53/561933153.db2.gz VZJZITZTULRASA-PMERELPUSA-N 1 0 561.748 4.267 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)c2ccc(C(N)=O)cc2)CC1 ZINC000028528575 561933195 /nfs/dbraw/zinc/93/31/95/561933195.db2.gz VZJZITZTULRASA-SSEXGKCCSA-N 1 0 561.748 4.267 1 0 KIAFRO Nc1c(Br)cc(C[C@H](NC(=O)CCc2ccccc2)C(=O)N[C@H](CCCC[NH3+])C(=O)NCCc2ccccc2)cc1Br ZINC000028528593 561933171 /nfs/dbraw/zinc/93/31/71/561933171.db2.gz JUFVHTMFCHNTBD-IZLXSDGUSA-N 1 0 701.504 4.427 1 0 KIAFRO [NH3+]C1(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(C3(CNC(=O)Cc4ccccc4)CCCCC3)CC2)Cc2ccccc2C1 ZINC000028529162 561933665 /nfs/dbraw/zinc/93/36/65/561933665.db2.gz CKBGKCJLQOKMJF-MGBGTMOVSA-N 1 0 656.271 4.070 1 0 KIAFRO [NH3+][C@@]1(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(C3(CNC(=O)Cc4ccccc4)CCCCC3)CC2)CCc2ccccc2C1 ZINC000028529202 561933886 /nfs/dbraw/zinc/93/38/86/561933886.db2.gz FMKLXIOJLHFAAK-BYHBGFKFSA-N 1 0 670.298 4.460 1 0 KIAFRO [NH3+][C@]1(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(C3(CNC(=O)Cc4ccccc4)CCCCC3)CC2)CCc2ccccc2C1 ZINC000028529204 561933929 /nfs/dbraw/zinc/93/39/29/561933929.db2.gz FMKLXIOJLHFAAK-FXBDCZLJSA-N 1 0 670.298 4.460 1 0 KIAFRO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000028529280 561933894 /nfs/dbraw/zinc/93/38/94/561933894.db2.gz NKTQNWJIUFSESY-JHOUSYSJSA-N 1 0 644.260 4.143 1 0 KIAFRO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000028529282 561933918 /nfs/dbraw/zinc/93/39/18/561933918.db2.gz NKTQNWJIUFSESY-CZNDPXEESA-N 1 0 644.260 4.143 1 0 KIAFRO COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CC[NH+](C)CC4)cc(OC(C)C)c32)n1 ZINC000028530058 561934388 /nfs/dbraw/zinc/93/43/88/561934388.db2.gz MPNHPBKFHQKFKA-UHFFFAOYSA-N 1 0 501.031 4.234 1 0 KIAFRO COc1cc(-c2nn(C3CC[NH2+]CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028565014 561935835 /nfs/dbraw/zinc/93/58/35/561935835.db2.gz FJLCUIPBRCOHAL-UHFFFAOYSA-N 1 0 529.498 4.419 1 0 KIAFRO COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(C)cc1 ZINC000028565018 561935846 /nfs/dbraw/zinc/93/58/46/561935846.db2.gz IIGKHCOMPQGVTL-UHFFFAOYSA-N 1 0 541.656 4.461 1 0 KIAFRO COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(N(C)C)cc1 ZINC000028565034 561935950 /nfs/dbraw/zinc/93/59/50/561935950.db2.gz VUQWPTAESZCLIC-UHFFFAOYSA-N 1 0 570.698 4.218 1 0 KIAFRO COc1cc(-c2nn(C3CC[NH+](C4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028565083 561935958 /nfs/dbraw/zinc/93/59/58/561935958.db2.gz QFNDMWXKSLDXLR-UHFFFAOYSA-N 1 0 621.746 4.476 1 0 KIAFRO COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1nc2ccccc2n1C ZINC000028565301 561935983 /nfs/dbraw/zinc/93/59/83/561935983.db2.gz KHBDGONPDISQDA-UHFFFAOYSA-N 1 0 581.681 4.039 1 0 KIAFRO [NH3+]CCc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1 ZINC000028567742 561936844 /nfs/dbraw/zinc/93/68/44/561936844.db2.gz UUAAZUKOEVNCRA-UHFFFAOYSA-N 1 0 606.967 4.500 1 0 in-vitro KIAFRO COc1cc2c(cc1OCCC[N@@H+]1CCC[C@H]1CO)ncnc2Nc1ncc(CC(=O)Nc2cccc(F)c2)s1 ZINC000028568014 561937072 /nfs/dbraw/zinc/93/70/72/561937072.db2.gz GOKZEHPYAIHCMO-FQEVSTJZSA-N 1 0 566.659 4.384 1 0 KIAFRO COc1cc2c(cc1OCCC[N@@H+]1CCC[C@H]1CO)ncnc2Nc1ncc(CC(=O)Nc2cccc(N(C)C)c2)s1 ZINC000028568041 561937055 /nfs/dbraw/zinc/93/70/55/561937055.db2.gz GTADHMXENUUJMP-QFIPXVFZSA-N 1 0 591.738 4.311 1 0 KIAFRO COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)ncnc2Nc1ncc(CC(=O)Nc2cccc(F)c2)s1 ZINC000028568079 561937114 /nfs/dbraw/zinc/93/71/14/561937114.db2.gz SEJVDCGZEHMMFJ-UHFFFAOYSA-N 1 0 565.675 4.175 1 0 KIAFRO CC[N@H+](CCO)CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)c2cc1OC ZINC000028568133 561937249 /nfs/dbraw/zinc/93/72/49/561937249.db2.gz MFOBAPCLZHKNOA-UHFFFAOYSA-N 1 0 554.648 4.242 1 0 KIAFRO COc1cccc(NC(=O)Cc2cnc(Nc3ncnc4cc(OCCC[N@@H+]5CCC[C@H]5CO)c(OC)cc43)s2)c1 ZINC000028568168 561937232 /nfs/dbraw/zinc/93/72/32/561937232.db2.gz YIQYJKSVIIKEJE-FQEVSTJZSA-N 1 0 578.695 4.254 1 0 KIAFRO COc1cc2c(cc1OCCC[NH+]1CCC(CO)CC1)ncnc2Nc1ncc(CNC(=O)c2cccc(F)c2)s1 ZINC000028568230 561937223 /nfs/dbraw/zinc/93/72/23/561937223.db2.gz FHFXXELCOMBVAO-UHFFFAOYSA-N 1 0 580.686 4.381 1 0 KIAFRO CN1CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CC[NH2+]CC3)C2=O)CC1=O ZINC000028571804 561939561 /nfs/dbraw/zinc/93/95/61/561939561.db2.gz UFEJMOYXKDWUSF-JWQCQUIFSA-N 1 0 521.061 4.143 1 0 KIAFRO CN1CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CC[NH2+]CC3)C2=O)CC1=O ZINC000028571805 561939544 /nfs/dbraw/zinc/93/95/44/561939544.db2.gz UFEJMOYXKDWUSF-LOSJGSFVSA-N 1 0 521.061 4.143 1 0 KIAFRO CC(C)(C)c1nc(N2CC[NH+](CCCCNC(=O)NCCc3ccccc3)CC2)cc(C(F)(F)F)n1 ZINC000028572062 561939746 /nfs/dbraw/zinc/93/97/46/561939746.db2.gz VJPBVQZEPQLKCA-UHFFFAOYSA-N 1 0 506.617 4.237 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)CCc4cc(Cl)ccc43)CC2)C1 ZINC000028572228 561939913 /nfs/dbraw/zinc/93/99/13/561939913.db2.gz QCVFWWFGAKRNHR-VWLOTQADSA-N 1 0 677.065 4.088 1 0 KIAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(NS(C)(=O)=O)c4)C[C@H]23)CC1 ZINC000028572635 561940312 /nfs/dbraw/zinc/94/03/12/561940312.db2.gz PJOFDORDRUWYLO-KODFZCBSSA-N 1 0 578.154 4.442 1 0 KIAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(S(C)(=O)=O)cc4)C[C@H]23)CC1 ZINC000028572639 561940299 /nfs/dbraw/zinc/94/02/99/561940299.db2.gz GADPOBKQVALWOX-KODFZCBSSA-N 1 0 563.139 4.474 1 0 KIAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(Cl)cc3Cl)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572819 561940415 /nfs/dbraw/zinc/94/04/15/561940415.db2.gz VBMAAYRURVSNIL-MUUNZHRXSA-N 1 0 600.457 4.279 1 0 KIAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(Cl)cc3Cl)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572821 561940380 /nfs/dbraw/zinc/94/03/80/561940380.db2.gz VBMAAYRURVSNIL-NDEPHWFRSA-N 1 0 600.457 4.279 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCCNC(=O)c2nnn(Cc3ccccc3Br)c2C)CC1 ZINC000028604043 561940626 /nfs/dbraw/zinc/94/06/26/561940626.db2.gz GTVPXEVAFBWKHY-UHFFFAOYSA-N 1 0 555.521 4.128 1 0 KIAFRO CCCc1c(C(=O)NCCCC[NH+]2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1Br ZINC000028604045 561940598 /nfs/dbraw/zinc/94/05/98/561940598.db2.gz OCLIVVKGXAOVNC-UHFFFAOYSA-N 1 0 569.548 4.382 1 0 KIAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccccn1 ZINC000028635416 561940996 /nfs/dbraw/zinc/94/09/96/561940996.db2.gz OBUHPSWJFKQUJC-AREMUKBSSA-N 1 0 507.642 4.125 1 0 KIAFRO Cc1ccc(C(=O)NCc2ccccc2)cc1Nc1nc(N[C@H]2CC[NH2+]C2)nc(N(C)CC(C)(C)C)n1 ZINC000028635435 561940994 /nfs/dbraw/zinc/94/09/94/561940994.db2.gz RQIYUPMFDCVNSI-QFIPXVFZSA-N 1 0 502.667 4.110 1 0 KIAFRO COc1cc(/C=C/C(=O)OCCCN(C)CC[N@H+](C)CCCOC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028638039 561941947 /nfs/dbraw/zinc/94/19/47/561941947.db2.gz IMGNTNRBPDJWPK-PHEQNACWSA-N 1 0 644.762 4.195 1 0 KIAFRO [NH3+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000028644728 561944475 /nfs/dbraw/zinc/94/44/75/561944475.db2.gz APFXRXGTYBRQJC-KAYWLYCHSA-N 1 0 515.635 4.348 1 0 KIAFRO O=C(CN1CCN(C(=O)CCCC[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC1)Nc1ccccc1Cl ZINC000028646761 561945282 /nfs/dbraw/zinc/94/52/82/561945282.db2.gz UBRFFQHYCAJUML-UHFFFAOYSA-N 1 0 546.543 4.064 1 0 KIAFRO O=C(CN1CCN(C(=O)CCCC[NH+]2CCN(Cc3cccc(Cl)c3)CC2)CC1)Nc1ccccc1Cl ZINC000028646773 561945253 /nfs/dbraw/zinc/94/52/53/561945253.db2.gz VHYWNDJTMWRSSJ-UHFFFAOYSA-N 1 0 546.543 4.064 1 0 KIAFRO C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 ZINC000028653050 561946116 /nfs/dbraw/zinc/94/61/16/561946116.db2.gz ORVOOWMQMYEAKE-KOCZBTFPSA-N 1 0 617.750 4.165 1 0 KIAFRO C[N@@H+]1C[C@H](C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC[C@H]2C(N)=O)C=C2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000028655466 561946530 /nfs/dbraw/zinc/94/65/30/561946530.db2.gz RKNAJYDRYXZMIZ-ALHDMZAZSA-N 1 0 696.868 4.226 1 0 KIAFRO CC(C)[C@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000028655512 561946714 /nfs/dbraw/zinc/94/67/14/561946714.db2.gz CWFYFSVSDFREOX-HNLGHXBASA-N 1 0 678.878 4.467 1 0 KIAFRO COc1cc2c(cc1OC)C[N@H+](CCCCNC(=O)c1cc(Br)cc(OC)c1OCCF)CC2 ZINC000028656383 561946882 /nfs/dbraw/zinc/94/68/82/561946882.db2.gz UCUNRRPIPHCZFN-UHFFFAOYSA-N 1 0 539.442 4.392 1 0 KIAFRO COc1cc2c(cc1OC)C[N@H+](CCCCNC(=O)c1cc(Br)ccc1OCCF)CC2 ZINC000028656388 561946895 /nfs/dbraw/zinc/94/68/95/561946895.db2.gz RVFWCFRZVLIRPT-UHFFFAOYSA-N 1 0 509.416 4.383 1 0 KIAFRO COc1cc2c(cc1OC)C[N@H+](CCCCNC(=O)c1cc(I)ccc1OCCF)CC2 ZINC000028656390 561946905 /nfs/dbraw/zinc/94/69/05/561946905.db2.gz IRFSOVRQSWDTBI-UHFFFAOYSA-N 1 0 556.416 4.225 1 0 KIAFRO CNc1cccc(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)NCC[NH+]5CCCC5)cc4)nnc3c2)c1 ZINC000028702779 561947326 /nfs/dbraw/zinc/94/73/26/561947326.db2.gz QQBZOIWBIDMSHA-UHFFFAOYSA-N 1 0 517.659 4.160 1 0 KIAFRO Cc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nc2cc1C ZINC000028702834 561947315 /nfs/dbraw/zinc/94/73/15/561947315.db2.gz RMUPVRXJXNJUAA-UHFFFAOYSA-N 1 0 502.644 4.426 1 0 KIAFRO C[C@H](Cc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2)c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000028703765 561947844 /nfs/dbraw/zinc/94/78/44/561947844.db2.gz RQMJXRIKISIBQH-QUGAMOGWSA-N 1 0 517.453 4.304 1 0 KIAFRO C[N@@H+]1CCC[C@@H]1CCNC(=O)OCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704161 561948401 /nfs/dbraw/zinc/94/84/01/561948401.db2.gz GRHFGPUSCILVJD-YADHBBJMSA-N 1 0 506.068 4.451 1 0 KIAFRO C[N@@H+]1CCC[C@H]1CCNC(=O)OCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704163 561948409 /nfs/dbraw/zinc/94/84/09/561948409.db2.gz GRHFGPUSCILVJD-VXKWHMMOSA-N 1 0 506.068 4.451 1 0 KIAFRO C[N@@H+]1CCC[C@@H]1CCNC(=O)OC[C@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704272 561948557 /nfs/dbraw/zinc/94/85/57/561948557.db2.gz LXEIWDIDBCNNDC-AKFKNWHVSA-N 1 0 506.068 4.445 1 0 KIAFRO C[N@@H+]1CCC[C@H]1CCNC(=O)OC[C@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704274 561948578 /nfs/dbraw/zinc/94/85/78/561948578.db2.gz LXEIWDIDBCNNDC-ZDXQCDESSA-N 1 0 506.068 4.445 1 0 KIAFRO CCCN(CCC)C(=O)c1cc(C(N)=O)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(CC)c2)c1 ZINC000028705232 561948964 /nfs/dbraw/zinc/94/89/64/561948964.db2.gz STJWSMTYMITMCI-IOWSJCHKSA-N 1 0 608.730 4.380 1 0 KIAFRO CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)cc(C(=O)N(C)C)c1 ZINC000028705250 561949045 /nfs/dbraw/zinc/94/90/45/561949045.db2.gz WJRWIEVAQULAJW-AJQTZOPKSA-N 1 0 602.776 4.151 1 0 KIAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(OC)c1 ZINC000028705645 561949139 /nfs/dbraw/zinc/94/91/39/561949139.db2.gz YXGVNNKUNJXHOE-JHOBJCJYSA-N 1 0 657.747 4.227 1 0 KIAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(OC)c1 ZINC000028705649 561949163 /nfs/dbraw/zinc/94/91/63/561949163.db2.gz YXGVNNKUNJXHOE-DJUQAAIZSA-N 1 0 657.747 4.227 1 0 KIAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C[C@@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000028705659 561949134 /nfs/dbraw/zinc/94/91/34/561949134.db2.gz YNDGWPZAPRMASI-OZXSUGGESA-N 1 0 629.737 4.358 1 0 KIAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C[C@@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000028705662 561949150 /nfs/dbraw/zinc/94/91/50/561949150.db2.gz YNDGWPZAPRMASI-BVAGGSTKSA-N 1 0 629.737 4.358 1 0 KIAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(OC)c1 ZINC000028705689 561949155 /nfs/dbraw/zinc/94/91/55/561949155.db2.gz DHQATLOPFLYNOO-DEOSSOPVSA-N 1 0 657.747 4.229 1 0 KIAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(OC)c1 ZINC000028705693 561949142 /nfs/dbraw/zinc/94/91/42/561949142.db2.gz DHQATLOPFLYNOO-XMMPIXPASA-N 1 0 657.747 4.229 1 0 KIAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000028705702 561949158 /nfs/dbraw/zinc/94/91/58/561949158.db2.gz QLVHNWGPRNODFA-OZXSUGGESA-N 1 0 657.747 4.275 1 0 KIAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000028705705 561949151 /nfs/dbraw/zinc/94/91/51/561949151.db2.gz QLVHNWGPRNODFA-BVAGGSTKSA-N 1 0 657.747 4.275 1 0 KIAFRO O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NC1(C(=O)NCCc2c[nH]c3ccccc23)CC[NH2+]CC1 ZINC000028709793 561950773 /nfs/dbraw/zinc/95/07/73/561950773.db2.gz AOJOYIPTDUCKBP-NTCAYCPXSA-N 1 0 522.649 4.357 1 0 KIAFRO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCSCC2)CCCC1)c1cc2ccccc2s1 ZINC000028711620 561952158 /nfs/dbraw/zinc/95/21/58/561952158.db2.gz QKJCPIBPCGJMQX-RUZDIDTESA-N 1 0 578.804 4.227 1 0 KIAFRO O=C(Nc1ccc(CCC2=[NH+]CCN2)cc1)c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br ZINC000028711944 561952612 /nfs/dbraw/zinc/95/26/12/561952612.db2.gz IHXOBVVDFCDBEC-UHFFFAOYSA-N 1 0 515.799 4.265 1 0 KIAFRO CN1CCC([NH+]2CCC(CCNC(=O)c3[nH]nc(NC(=O)c4ccccc4Cl)c3Br)CC2)CC1 ZINC000028712006 561952695 /nfs/dbraw/zinc/95/26/95/561952695.db2.gz NCJLGLYHCSXTFV-UHFFFAOYSA-N 1 0 551.917 4.004 1 0 KIAFRO C[NH+](C)CCNC(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000028713417 561953982 /nfs/dbraw/zinc/95/39/82/561953982.db2.gz VUNPWRICHRMRNX-QLTDWMCJSA-N 1 0 677.724 4.244 1 0 KIAFRO COc1ccc(CC[N@H+](C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC ZINC000028713998 561954156 /nfs/dbraw/zinc/95/41/56/561954156.db2.gz LUNFWPKHPVTQAR-UHFFFAOYSA-N 1 0 512.610 4.409 1 0 KIAFRO COc1ccc(C(=O)NCCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1OC ZINC000028714015 561954423 /nfs/dbraw/zinc/95/44/23/561954423.db2.gz JBZBEDKQYDQVSS-UHFFFAOYSA-N 1 0 526.081 4.145 1 0 KIAFRO O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(F)c(F)c1 ZINC000028714019 561954469 /nfs/dbraw/zinc/95/44/69/561954469.db2.gz CRCWBRGSXOGSHA-UHFFFAOYSA-N 1 0 502.009 4.406 1 0 KIAFRO O=C(NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cc(F)cc(F)c1 ZINC000028714026 561954368 /nfs/dbraw/zinc/95/43/68/561954368.db2.gz WZJINVMZXRYPBX-UHFFFAOYSA-N 1 0 502.009 4.406 1 0 KIAFRO CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN1CC[NH+](CCC(=O)N2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714049 561954404 /nfs/dbraw/zinc/95/44/04/561954404.db2.gz JPFCQQCDTHCSDC-WQQLCDBNSA-N 1 0 706.932 4.074 1 0 KIAFRO CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN1CCC[N@H+](CCC(=O)N2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714050 561954390 /nfs/dbraw/zinc/95/43/90/561954390.db2.gz AYTHKJZYBUUDOH-RZKZGJNWSA-N 1 0 720.959 4.464 1 0 KIAFRO CCCN(CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3)CC(=O)n1c(=O)ccc2c1C[C@@H]1C=C(C)C[C@]23[NH2+]CCC[C@H]13 ZINC000028714054 561954664 /nfs/dbraw/zinc/95/46/64/561954664.db2.gz UUCPUSGTHPKCOR-TVIXVDBLSA-N 1 0 651.852 4.262 1 0 KIAFRO CS(=O)(=O)N(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)CC1 ZINC000028714187 561954809 /nfs/dbraw/zinc/95/48/09/561954809.db2.gz JPJWIIJXXAGUKX-UHFFFAOYSA-N 1 0 576.744 4.406 1 0 KIAFRO CS(=O)(=O)N(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000028714197 561954765 /nfs/dbraw/zinc/95/47/65/561954765.db2.gz SUGRUJKCGVGGMS-UHFFFAOYSA-N 1 0 569.536 4.046 1 0 KIAFRO CS(=O)(=O)N(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000028714198 561954842 /nfs/dbraw/zinc/95/48/42/561954842.db2.gz GALHROIVMJNBLK-UHFFFAOYSA-N 1 0 569.536 4.046 1 0 KIAFRO CS(=O)(=O)N(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028714200 561954773 /nfs/dbraw/zinc/95/47/73/561954773.db2.gz JELJSKXPTVWXST-UHFFFAOYSA-N 1 0 569.536 4.046 1 0 KIAFRO CS(=O)(=O)N(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000028714202 561954828 /nfs/dbraw/zinc/95/48/28/561954828.db2.gz QFABAFSGFBWMTQ-UHFFFAOYSA-N 1 0 569.536 4.046 1 0 KIAFRO CS(=O)(=O)N(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000028714203 561954785 /nfs/dbraw/zinc/95/47/85/561954785.db2.gz FNVTYDAYOUUROB-UHFFFAOYSA-N 1 0 575.565 4.107 1 0 KIAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nc[nH]n3)cc2)C1=O ZINC000028755181 561955356 /nfs/dbraw/zinc/95/53/56/561955356.db2.gz VTINIGTZWNOOKS-RUZDIDTESA-N 1 0 508.626 4.230 1 0 KIAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3ncno3)cc2)C1=O ZINC000028755904 561955824 /nfs/dbraw/zinc/95/58/24/561955824.db2.gz PMTLDSLDPIWEEI-RUZDIDTESA-N 1 0 509.610 4.495 1 0 KIAFRO CC(=[NH2+])N1CCC(Oc2ccc(N(C/C=C/c3cc(C(N)=[NH2+])ccc3O)C(=O)CCC(=O)[O-])cc2C(F)(F)F)CC1 ZINC000028756762 561956462 /nfs/dbraw/zinc/95/64/62/561956462.db2.gz IPLPSOBFFRGWMN-QBHXWDKASA-N 1 0 575.588 4.447 1 0 KIAFRO C[NH+]1CCC(Oc2ccc(N(C/C=C/c3cc(C(N)=[NH2+])ccc3O)C(=O)CCC(=O)[O-])cc2C(F)(F)F)CC1 ZINC000028760069 561957697 /nfs/dbraw/zinc/95/76/97/561957697.db2.gz NKSLZFJLSABSEY-NSCUHMNNSA-N 1 0 548.562 4.079 1 0 KIAFRO C[NH+](C)CCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 ZINC000028761839 561958246 /nfs/dbraw/zinc/95/82/46/561958246.db2.gz FFMSYQUIQYEAKA-DEOSSOPVSA-N 1 0 583.824 4.370 1 0 KIAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)[N@@H+]2C/C=C/I ZINC000028768786 561960636 /nfs/dbraw/zinc/96/06/36/561960636.db2.gz FOGCUXYHCCUINS-UNSMHXHVSA-N 1 0 537.179 4.349 1 0 KIAFRO CC[C@@H]1CCC[C@H](COC(=O)N2CCC([N@H+](C)C3CCN(C)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816484 561964222 /nfs/dbraw/zinc/96/42/22/561964222.db2.gz WNLCBJQKFPOUQX-RCZVLFRGSA-N 1 0 555.185 4.289 1 0 KIAFRO COC(=O)C1CC[NH+](Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1 ZINC000028817143 561964688 /nfs/dbraw/zinc/96/46/88/561964688.db2.gz QHGVESLEXVDJPY-UHFFFAOYSA-N 1 0 513.577 4.395 1 0 KIAFRO CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817319 561964612 /nfs/dbraw/zinc/96/46/12/561964612.db2.gz AHRNMDRWMJFRTC-WIHCDAFUSA-N 1 0 672.839 4.282 1 0 KIAFRO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000028818510 561965166 /nfs/dbraw/zinc/96/51/66/561965166.db2.gz RZPQRBOXKISZBA-NYVOZVTQSA-N 1 0 542.105 4.188 1 0 KIAFRO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000028818512 561965188 /nfs/dbraw/zinc/96/51/88/561965188.db2.gz RZPQRBOXKISZBA-COPCDDAFSA-N 1 0 542.105 4.188 1 0 KIAFRO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000028818520 561965249 /nfs/dbraw/zinc/96/52/49/561965249.db2.gz VZCUNBALUOBEHK-VXKWHMMOSA-N 1 0 542.105 4.330 1 0 KIAFRO CN(C(=O)N1CC[C@@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000028818530 561965363 /nfs/dbraw/zinc/96/53/63/561965363.db2.gz VZCUNBALUOBEHK-FGZHOGPDSA-N 1 0 542.105 4.330 1 0 KIAFRO CN(C(=O)N1CC[C@@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000028818532 561965368 /nfs/dbraw/zinc/96/53/68/561965368.db2.gz VZCUNBALUOBEHK-FCHUYYIVSA-N 1 0 542.105 4.330 1 0 KIAFRO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(C(F)(F)F)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](C)C1 ZINC000028818539 561965320 /nfs/dbraw/zinc/96/53/20/561965320.db2.gz XFRFMQURURXPCN-ROUUACIJSA-N 1 0 505.566 4.147 1 0 KIAFRO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(OC(F)(F)F)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](C)C1 ZINC000028818540 561965376 /nfs/dbraw/zinc/96/53/76/561965376.db2.gz OYSLSXQOPMXETN-IRXDYDNUSA-N 1 0 521.565 4.026 1 0 KIAFRO CCOc1ccc(-c2cc3ncn([C@H]4CCN(C(=O)N(C)[C@H]5CC[N@H+](C)C5)C4)c(=O)c3s2)c(Cl)c1 ZINC000028818546 561965399 /nfs/dbraw/zinc/96/53/99/561965399.db2.gz HJOURXUKRFORJK-IRXDYDNUSA-N 1 0 516.067 4.180 1 0 KIAFRO CCc1ccc(-c2cc3ncn([C@H]4CCN(C(=O)N(C)[C@H]5CC[N@@H+](C6CCOCC6)C5)C4)c(=O)c3s2)cc1 ZINC000028818555 561965382 /nfs/dbraw/zinc/96/53/82/561965382.db2.gz OZYCLAUGHOTCBX-ZEQRLZLVSA-N 1 0 535.714 4.239 1 0 KIAFRO Cc1ccc(-c2cc3ncn([C@H]4CCN(C(=O)N(C)[C@H]5CC[N@@H+](C6CCOCC6)C5)C4)c(=O)c3s2)c(C)c1 ZINC000028818556 561965422 /nfs/dbraw/zinc/96/54/22/561965422.db2.gz WXBYXGWUAPCLJS-GOTSBHOMSA-N 1 0 535.714 4.294 1 0 KIAFRO OC1CC[NH+](CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 ZINC000028822126 561966646 /nfs/dbraw/zinc/96/66/46/561966646.db2.gz HATILNDJUSATOS-UHFFFAOYSA-N 1 0 523.899 4.465 1 0 KIAFRO CN1CC[NH+](CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 ZINC000028822128 561966565 /nfs/dbraw/zinc/96/65/65/561966565.db2.gz IXZZXWDPIMSXSX-UHFFFAOYSA-N 1 0 522.915 4.256 1 0 KIAFRO Cc1c(C[N@H+](C)C[C@@H](O)c2ccc(O)cc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822497 561967108 /nfs/dbraw/zinc/96/71/08/561967108.db2.gz LJNTWCVADOVPNJ-JOCHJYFZSA-N 1 0 526.058 4.363 1 0 KIAFRO Cc1c(C[N@H+](C)C[C@H](O)c2ccc(O)cc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822498 561967191 /nfs/dbraw/zinc/96/71/91/561967191.db2.gz LJNTWCVADOVPNJ-QFIPXVFZSA-N 1 0 526.058 4.363 1 0 KIAFRO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(C[N@H+](C)[C@@H](CO)Cc3ccccc3)cc21 ZINC000028822533 561967120 /nfs/dbraw/zinc/96/71/20/561967120.db2.gz DVZPDDAXTDNWQF-OAQYLSRUSA-N 1 0 510.059 4.219 1 0 KIAFRO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(C[N@H+](C)[C@H](CO)Cc3ccccc3)cc21 ZINC000028822534 561967186 /nfs/dbraw/zinc/96/71/86/561967186.db2.gz DVZPDDAXTDNWQF-NRFANRHFSA-N 1 0 510.059 4.219 1 0 KIAFRO CC(C)C[C@H]([NH2+]CC(N)=O)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823908 561968589 /nfs/dbraw/zinc/96/85/89/561968589.db2.gz KBBHXCZBVZTXQH-AHKZPQOWSA-N 1 0 606.570 4.177 1 0 KIAFRO CC(C)C[C@H](NC(=O)C[NH3+])c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823916 561968764 /nfs/dbraw/zinc/96/87/64/561968764.db2.gz REJCISYQMOGOHG-AHKZPQOWSA-N 1 0 606.570 4.177 1 0 KIAFRO C[NH2+]CC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823917 561968735 /nfs/dbraw/zinc/96/87/35/561968735.db2.gz BBMVDIOZDPPMNA-XTEPFMGCSA-N 1 0 602.607 4.299 1 0 KIAFRO C[NH2+]CC(=O)N[C@@H](CC(C)C)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823918 561968725 /nfs/dbraw/zinc/96/87/25/561968725.db2.gz ZVXDTQBHPOHGTP-XTEPFMGCSA-N 1 0 620.597 4.438 1 0 KIAFRO CC(C)C[C@H](NC(=O)CC[NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823925 561968742 /nfs/dbraw/zinc/96/87/42/561968742.db2.gz MKCZAMJRNWLDEF-XTEPFMGCSA-N 1 0 602.607 4.428 1 0 KIAFRO CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3c(F)cccc3[C@@H]([NH3+])C(C)C)CC2)C1 ZINC000028824100 561968837 /nfs/dbraw/zinc/96/88/37/561968837.db2.gz UPZMTIDPDWLJQD-ARNLJNQMSA-N 1 0 501.046 4.046 1 0 KIAFRO CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824104 561968967 /nfs/dbraw/zinc/96/89/67/561968967.db2.gz KOUYJFRLQQLJJE-GSLIJJQTSA-N 1 0 527.084 4.436 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3c[nH]c4cccnc43)CC2)C1 ZINC000028824431 561969640 /nfs/dbraw/zinc/96/96/40/561969640.db2.gz XQKJWWXESWDJAL-QFIPXVFZSA-N 1 0 602.683 4.003 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(c3c[nH]c4cccnc43)CC2)C1 ZINC000028824432 561969664 /nfs/dbraw/zinc/96/96/64/561969664.db2.gz XQKJWWXESWDJAL-JOCHJYFZSA-N 1 0 602.683 4.003 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3c[nH]c4cnccc43)CC2)C1 ZINC000028824435 561969672 /nfs/dbraw/zinc/96/96/72/561969672.db2.gz SSRUZZUZDVMXFY-QFIPXVFZSA-N 1 0 602.683 4.003 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(c3c[nH]c4cnccc43)CC2)C1 ZINC000028824436 561969625 /nfs/dbraw/zinc/96/96/25/561969625.db2.gz SSRUZZUZDVMXFY-JOCHJYFZSA-N 1 0 602.683 4.003 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)C1 ZINC000028824437 561969687 /nfs/dbraw/zinc/96/96/87/561969687.db2.gz CWZXXCKXNWRADB-QFIPXVFZSA-N 1 0 602.683 4.003 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)C1 ZINC000028824438 561969626 /nfs/dbraw/zinc/96/96/26/561969626.db2.gz CWZXXCKXNWRADB-JOCHJYFZSA-N 1 0 602.683 4.003 1 0 KIAFRO CCn1c(C(=O)NCc2c(OC)cccc2OC)cc2cc(C[C@@H](C)[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)ccc21 ZINC000028825096 561970387 /nfs/dbraw/zinc/97/03/87/561970387.db2.gz CTJWUZYCDWDADT-OLILMLBXSA-N 1 0 561.679 4.061 1 0 KIAFRO CSc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1 ZINC000028825106 561970375 /nfs/dbraw/zinc/97/03/75/561970375.db2.gz UIZWXVFAIPLAJX-CLYVBNDRSA-N 1 0 519.667 4.272 1 0 KIAFRO C[NH+](C)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825159 561970363 /nfs/dbraw/zinc/97/03/63/561970363.db2.gz BWFSXPLHGJNWKK-DEOSSOPVSA-N 1 0 534.726 4.129 1 0 KIAFRO [NH3+]CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825167 561970331 /nfs/dbraw/zinc/97/03/31/561970331.db2.gz CPJZXKRXFKIDOW-DEOSSOPVSA-N 1 0 534.726 4.307 1 0 KIAFRO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCCC2)Cc2ccccc2C1)c1cc2ccccc2s1 ZINC000028825237 561970553 /nfs/dbraw/zinc/97/05/53/561970553.db2.gz AVFCWIYMFNPMIP-GDLZYMKVSA-N 1 0 594.781 4.498 1 0 KIAFRO CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(Cl)ccc2C2CC[NH+](CCN3C(=O)COc4ccccc43)CC2)CC1 ZINC000028826540 561971368 /nfs/dbraw/zinc/97/13/68/561971368.db2.gz XRDCOVSGDBZMPB-UHFFFAOYSA-N 1 0 626.198 4.228 1 0 KIAFRO CC(C)C[C@@H](NC(=O)C[NH3+])c1cccnc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000028826801 561971393 /nfs/dbraw/zinc/97/13/93/561971393.db2.gz CHXZDXXFVJJJFD-FDDCHVKYSA-N 1 0 520.505 4.078 1 0 KIAFRO CC(C)C[C@@H](NC(=O)C[NH3+])c1cccnc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000028826802 561971405 /nfs/dbraw/zinc/97/14/05/561971405.db2.gz CHXZDXXFVJJJFD-WZONZLPQSA-N 1 0 520.505 4.078 1 0 KIAFRO CC(C)C[C@H](NC(=O)C[NH3+])c1cccnc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000028826804 561971361 /nfs/dbraw/zinc/97/13/61/561971361.db2.gz CHXZDXXFVJJJFD-MBSDFSHPSA-N 1 0 520.505 4.078 1 0 KIAFRO CC(C)C[C@H](NC(=O)C[NH3+])c1cccnc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000028826805 561971386 /nfs/dbraw/zinc/97/13/86/561971386.db2.gz CHXZDXXFVJJJFD-JPYJTQIMSA-N 1 0 520.505 4.078 1 0 KIAFRO CC(C)CCn1cc(NC(=O)c2cc(NC(=O)c3ccc4c(c3)OCO4)cn2C)cc1C(=O)Nc1cc(C(=O)NCCC[NH+](C)C)n(C)c1 ZINC000028863425 561972225 /nfs/dbraw/zinc/97/22/25/561972225.db2.gz JANMPWSGJSCBOK-UHFFFAOYSA-N 1 0 672.787 4.378 1 0 KIAFRO COc1cccc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4nc(C(=O)NCCC[NH+](C)C)c(C(C)C)s4)n(C)c3)n(C)c2)c1 ZINC000028863452 561972222 /nfs/dbraw/zinc/97/22/22/561972222.db2.gz JXHUJMKUQFCDAD-UHFFFAOYSA-N 1 0 648.790 4.391 1 0 KIAFRO CC(C)c1sc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc5c(c4)OCO5)cn3C)cn2C)nc1C(=O)NCCC[NH+](C)C ZINC000028863462 561972341 /nfs/dbraw/zinc/97/23/41/561972341.db2.gz YAYHVVLSMKPMBD-UHFFFAOYSA-N 1 0 662.773 4.111 1 0 KIAFRO COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)C[N@@H+](CCc2c[nH]c4ccccc24)CC3)c1 ZINC000028863524 561972346 /nfs/dbraw/zinc/97/23/46/561972346.db2.gz SIJLLGCJSPPEJZ-UHFFFAOYSA-N 1 0 542.586 4.416 1 0 KIAFRO C[N@@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864117 561972461 /nfs/dbraw/zinc/97/24/61/561972461.db2.gz YWXWWLFOSYCWIB-UHFFFAOYSA-N 1 0 580.079 4.118 1 0 KIAFRO C[N@@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1cccc(Cl)c1)C2 ZINC000028864132 561972518 /nfs/dbraw/zinc/97/25/18/561972518.db2.gz AYSIDPWCVRGUGA-UHFFFAOYSA-N 1 0 580.079 4.118 1 0 KIAFRO Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(CCN(C)Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864171 561972913 /nfs/dbraw/zinc/97/29/13/561972913.db2.gz XGURAZVFVAKWSE-UHFFFAOYSA-N 1 0 559.661 4.039 1 0 KIAFRO COc1cccc(C(=[NH2+])Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCc5ccccn5)n(C)c4)n(C)c3)n(C)c2)c1 ZINC000028864336 561973165 /nfs/dbraw/zinc/97/31/65/561973165.db2.gz MTWHIODZEPTZQY-UHFFFAOYSA-N 1 0 621.702 4.020 1 0 KIAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccncc4)cc3)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000028864588 561973205 /nfs/dbraw/zinc/97/32/05/561973205.db2.gz AZVFVUVQFZIMDY-VOTSOKGWSA-N 1 0 553.667 4.115 1 0 KIAFRO COc1cccc(/C=C/c2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)n(C)c2)c1 ZINC000028864607 561973211 /nfs/dbraw/zinc/97/32/11/561973211.db2.gz SPMJVSQKSOVMRN-VAWYXSNFSA-N 1 0 585.709 4.067 1 0 KIAFRO C[NH2+]CC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C ZINC000028867151 561973582 /nfs/dbraw/zinc/97/35/82/561973582.db2.gz LAHUDBCXWRATGM-HRFSGMKKSA-N 1 0 517.089 4.348 1 0 KIAFRO COC(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 ZINC000028869527 561973785 /nfs/dbraw/zinc/97/37/85/561973785.db2.gz VYDDQNBUEWMIFT-RUZDIDTESA-N 1 0 582.554 4.484 1 0 KIAFRO COC(=O)N[C@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 ZINC000028869531 561973791 /nfs/dbraw/zinc/97/37/91/561973791.db2.gz VYDDQNBUEWMIFT-VWLOTQADSA-N 1 0 582.554 4.484 1 0 KIAFRO CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)[NH3+])=NN[C@@H]2CCc2ccccc2)cc1 ZINC000028870515 561974001 /nfs/dbraw/zinc/97/40/01/561974001.db2.gz OWODAMPWWKUVRG-UVQZXEQTSA-N 1 0 522.697 4.483 1 0 KIAFRO CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)[NH3+])=NN[C@H]2CCc2ccccc2)cc1 ZINC000028870519 561974010 /nfs/dbraw/zinc/97/40/10/561974010.db2.gz OWODAMPWWKUVRG-BMIOMVLPSA-N 1 0 522.697 4.483 1 0 KIAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCC[NH2+]3)=NN[C@@H]2CCc2ccccc2)cc1 ZINC000028870550 561973978 /nfs/dbraw/zinc/97/39/78/561973978.db2.gz ZIGBQOIHVMIXMQ-YPKYBTACSA-N 1 0 550.707 4.334 1 0 KIAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCC[NH2+]3)=NN[C@H]2CCc2ccccc2)cc1 ZINC000028870555 561973992 /nfs/dbraw/zinc/97/39/92/561973992.db2.gz ZIGBQOIHVMIXMQ-OJDZSJEKSA-N 1 0 550.707 4.334 1 0 KIAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC[NH2+]3)=NN[C@@H]2CCc2ccccc2)cc1 ZINC000028870557 561974102 /nfs/dbraw/zinc/97/41/02/561974102.db2.gz ZIGBQOIHVMIXMQ-OLUZHXLYSA-N 1 0 550.707 4.334 1 0 KIAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC[NH2+]3)=NN[C@H]2CCc2ccccc2)cc1 ZINC000028870560 561974091 /nfs/dbraw/zinc/97/40/91/561974091.db2.gz ZIGBQOIHVMIXMQ-JFHPUIQFSA-N 1 0 550.707 4.334 1 0 KIAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCC[NH2+]3)=NN[C@@H]2CCc2ccccc2)c(OC)c1 ZINC000028870570 561974065 /nfs/dbraw/zinc/97/40/65/561974065.db2.gz DZLSIYVTHCUQRB-WTGSTYHVSA-N 1 0 580.733 4.342 1 0 KIAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCC[NH2+]3)=NN[C@H]2CCc2ccccc2)c(OC)c1 ZINC000028870574 561974113 /nfs/dbraw/zinc/97/41/13/561974113.db2.gz DZLSIYVTHCUQRB-XAGDYJCDSA-N 1 0 580.733 4.342 1 0 KIAFRO O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NN[C@@H](CCc2ccccc2)N1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000028870584 561974061 /nfs/dbraw/zinc/97/40/61/561974061.db2.gz KPHILJBJZJWDQY-ZGIBFIJWSA-N 1 0 506.654 4.329 1 0 KIAFRO O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NN[C@H](CCc2ccccc2)N1c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000028870589 561974071 /nfs/dbraw/zinc/97/40/71/561974071.db2.gz KPHILJBJZJWDQY-NHKHRBQYSA-N 1 0 506.654 4.329 1 0 KIAFRO O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NN[C@@H](CCc2ccccc2)N1Cc1ccco1)C1CC[NH2+]CC1 ZINC000028870805 561974104 /nfs/dbraw/zinc/97/41/04/561974104.db2.gz KPSXNMHZQBHMJO-FQLXRVMXSA-N 1 0 524.669 4.166 1 0 KIAFRO O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NN[C@H](CCc2ccccc2)N1Cc1ccco1)C1CC[NH2+]CC1 ZINC000028870809 561974082 /nfs/dbraw/zinc/97/40/82/561974082.db2.gz KPSXNMHZQBHMJO-WDYNHAJCSA-N 1 0 524.669 4.166 1 0 KIAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(CC(=O)N(C)C)c3=O)CC2)C(C)C)c1 ZINC000028874725 561975281 /nfs/dbraw/zinc/97/52/81/561975281.db2.gz JJPNRJDIOHTAQZ-MHZLTWQESA-N 1 0 522.690 4.339 1 0 KIAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(CC(=O)N(C)C)c3=O)CC2)C(C)C)c1 ZINC000028874729 561975330 /nfs/dbraw/zinc/97/53/30/561975330.db2.gz JJPNRJDIOHTAQZ-HHHXNRCGSA-N 1 0 522.690 4.339 1 0 KIAFRO COC(=O)Cn1c2ccccc2n(C2CC[NH+](CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874736 561975303 /nfs/dbraw/zinc/97/53/03/561975303.db2.gz TZUSGDVGGLSLIF-AREMUKBSSA-N 1 0 509.647 4.424 1 0 KIAFRO COC(=O)Cn1c2ccccc2n(C2CC[NH+](CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874741 561975288 /nfs/dbraw/zinc/97/52/88/561975288.db2.gz TZUSGDVGGLSLIF-SANMLTNESA-N 1 0 509.647 4.424 1 0 KIAFRO CNC(=O)CCn1c2ccccc2n(C2CC[NH+](CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874818 561975339 /nfs/dbraw/zinc/97/53/39/561975339.db2.gz WNURKTFGOHANPD-HHHXNRCGSA-N 1 0 522.690 4.387 1 0 KIAFRO CNC(=O)CCn1c2ccccc2n(C2CC[NH+](CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874821 561975350 /nfs/dbraw/zinc/97/53/50/561975350.db2.gz WNURKTFGOHANPD-MHZLTWQESA-N 1 0 522.690 4.387 1 0 KIAFRO CCNC(=O)Cn1c2ccccc2n(C2CC[NH+](CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874898 561975253 /nfs/dbraw/zinc/97/52/53/561975253.db2.gz MTTZPKNMSDFTCL-HHHXNRCGSA-N 1 0 522.690 4.387 1 0 KIAFRO CCNC(=O)Cn1c2ccccc2n(C2CC[NH+](CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874901 561975321 /nfs/dbraw/zinc/97/53/21/561975321.db2.gz MTTZPKNMSDFTCL-MHZLTWQESA-N 1 0 522.690 4.387 1 0 KIAFRO COCCNC(=O)Cn1c2ccccc2n(C2CC[NH+](CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874951 561975434 /nfs/dbraw/zinc/97/54/34/561975434.db2.gz PLAUREMHVUKPSU-MUUNZHRXSA-N 1 0 552.716 4.013 1 0 KIAFRO COCCNC(=O)Cn1c2ccccc2n(C2CC[NH+](CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874956 561975480 /nfs/dbraw/zinc/97/54/80/561975480.db2.gz PLAUREMHVUKPSU-NDEPHWFRSA-N 1 0 552.716 4.013 1 0 KIAFRO C[NH2+]C(C)(C)C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)CCc1ccccc1OCCO ZINC000028876734 561975782 /nfs/dbraw/zinc/97/57/82/561975782.db2.gz GYIPHGRIGGSXCL-BVEXFFHSSA-N 1 0 545.724 4.226 1 0 KIAFRO NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000028876869 561975766 /nfs/dbraw/zinc/97/57/66/561975766.db2.gz HOFKDKKZIXLIQE-LBYVEUBFSA-N 1 0 655.799 4.090 1 0 KIAFRO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3cccc(C(=O)NCCO)c3)oc21 ZINC000028878016 561976030 /nfs/dbraw/zinc/97/60/30/561976030.db2.gz SUSKWGJDSZQSSD-UHFFFAOYSA-N 1 0 516.594 4.406 1 0 KIAFRO O=C(OC1([C@@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[NH2+]CC1 ZINC000028879362 561976259 /nfs/dbraw/zinc/97/62/59/561976259.db2.gz LOQBCMGMKAMTGR-GOTSBHOMSA-N 1 0 540.032 4.477 1 0 KIAFRO O=C(OC1([C@@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[NH2+]CC1 ZINC000028879365 561976286 /nfs/dbraw/zinc/97/62/86/561976286.db2.gz LOQBCMGMKAMTGR-PKTZIBPZSA-N 1 0 540.032 4.477 1 0 KIAFRO O=C(OC1([C@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[NH2+]CC1 ZINC000028879371 561976263 /nfs/dbraw/zinc/97/62/63/561976263.db2.gz LOQBCMGMKAMTGR-XZOQPEGZSA-N 1 0 540.032 4.477 1 0 KIAFRO O=C(OC1([C@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[NH2+]CC1 ZINC000028879377 561976295 /nfs/dbraw/zinc/97/62/95/561976295.db2.gz LOQBCMGMKAMTGR-DHIUTWEWSA-N 1 0 540.032 4.477 1 0 KIAFRO COc1cc(Br)cc(C(=O)NCCCC[N@@H+]2CCc3cc4c(cc3C2)OCCCO4)c1OC ZINC000028882532 561977130 /nfs/dbraw/zinc/97/71/30/561977130.db2.gz WMHHOUPYYPQZNK-UHFFFAOYSA-N 1 0 519.436 4.196 1 0 KIAFRO O=C(CC[NH+]1CCCCC1)Nc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1F ZINC000028884236 561977474 /nfs/dbraw/zinc/97/74/74/561977474.db2.gz PXIGCJZSDMJLTL-UHFFFAOYSA-N 1 0 552.622 4.280 1 0 KIAFRO COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CC(=O)Nc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887307 561977812 /nfs/dbraw/zinc/97/78/12/561977812.db2.gz IUVIMNZIJQHMMN-QHCPKHFHSA-N 1 0 610.502 4.249 1 0 KIAFRO Cc1cc(COc2ccc(C(=O)NCC3(C4CC[NH+](C(C)C)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028892592 561978526 /nfs/dbraw/zinc/97/85/26/561978526.db2.gz FLELGRFHQSJQFR-UHFFFAOYSA-N 1 0 557.651 4.165 1 0 KIAFRO CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000028895397 561978881 /nfs/dbraw/zinc/97/88/81/561978881.db2.gz DNYQZBGAONIJQG-NDEPHWFRSA-N 1 0 505.684 4.158 1 0 KIAFRO CCOC(=O)CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000028895430 561978891 /nfs/dbraw/zinc/97/88/91/561978891.db2.gz HOHQMOMDZBHGJH-PMERELPUSA-N 1 0 577.747 4.092 1 0 KIAFRO CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(F)cccc2c1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000028895464 561979026 /nfs/dbraw/zinc/97/90/26/561979026.db2.gz BRADURLXJDKZGP-NDEPHWFRSA-N 1 0 523.674 4.298 1 0 KIAFRO CC(=O)Nc1cccc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)N(C)C3CC[NH+](CCc4ccccc4)CC3)ccc21 ZINC000028895490 561979016 /nfs/dbraw/zinc/97/90/16/561979016.db2.gz QQHOEMVPGXMION-PMERELPUSA-N 1 0 562.736 4.117 1 0 KIAFRO CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CC[NH+](CCc2ccccc2N)CC1 ZINC000028895554 561978935 /nfs/dbraw/zinc/97/89/35/561978935.db2.gz LKYBJMRQBVFXGN-NDEPHWFRSA-N 1 0 555.144 4.394 1 0 KIAFRO Cc1c(C[N@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3cccc[n+]3[O-])CC2)c(=O)n(-c2ccc(F)cc2)n1C ZINC000028897973 561979385 /nfs/dbraw/zinc/97/93/85/561979385.db2.gz PYOGILABXFGYCT-UHFFFAOYSA-N 1 0 578.088 4.260 1 0 KIAFRO C[C@H](c1cccc(F)c1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5C[NH2+]CCO5)c34)ccc21 ZINC000028901172 561979851 /nfs/dbraw/zinc/97/98/51/561979851.db2.gz SGYAQGSCPQGXLC-KOSHJBKYSA-N 1 0 501.566 4.076 1 0 KIAFRO C[C@@H](c1cccc(F)c1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5C[NH2+]CCO5)c34)ccc21 ZINC000028901178 561979855 /nfs/dbraw/zinc/97/98/55/561979855.db2.gz SGYAQGSCPQGXLC-UUOWRZLLSA-N 1 0 501.566 4.076 1 0 KIAFRO C[C@@H](C[N@H+](C)Cc1cc2c(s1)n(CCO)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)c1ccco1 ZINC000028901702 561980070 /nfs/dbraw/zinc/98/00/70/561980070.db2.gz FFZYFYJLWPIUNN-KRWDZBQOSA-N 1 0 514.047 4.467 1 0 KIAFRO C[C@H](C[N@H+](C)Cc1cc2c(s1)n(CCO)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)c1ccco1 ZINC000028901704 561979962 /nfs/dbraw/zinc/97/99/62/561979962.db2.gz FFZYFYJLWPIUNN-QGZVFWFLSA-N 1 0 514.047 4.467 1 0 KIAFRO CC(=O)NC1CC[NH+](Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1 ZINC000028903111 561980201 /nfs/dbraw/zinc/98/02/01/561980201.db2.gz VNSGZPKJDBAOQI-UHFFFAOYSA-N 1 0 512.593 4.111 1 0 KIAFRO CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C2N=NC(=S)N2)C1 ZINC000028903226 561980165 /nfs/dbraw/zinc/98/01/65/561980165.db2.gz DRAXUTSANKJHDR-LADGPHEKSA-N 1 0 502.644 4.137 1 0 KIAFRO C[N@@H+]1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OCc3ccccc3)C[C@H]21 ZINC000028949875 561981108 /nfs/dbraw/zinc/98/11/08/561981108.db2.gz MQBKGCCJZRCLOT-FKCDAAJZSA-N 1 0 554.720 4.049 1 0 KIAFRO CCS(=O)(=O)N(C)c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)([NH3+])COC2 ZINC000028949973 561981236 /nfs/dbraw/zinc/98/12/36/561981236.db2.gz QNZOLVRTSHQPDP-PQHLKRTFSA-N 1 0 535.710 4.367 1 0 KIAFRO CCCN(c1cc2cc(c1)C(=O)N[C@@H](C(C)C)CCc1cccc(c1)C[C@@](C)([NH3+])COC2)S(C)(=O)=O ZINC000028950010 561981252 /nfs/dbraw/zinc/98/12/52/561981252.db2.gz UPXDUTLYCFWYPJ-IXCJQBJRSA-N 1 0 515.720 4.040 1 0 KIAFRO COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(OCc5ccccc5)n4)CC3)C[N@H+](C)[C@@H]1C2 ZINC000028950324 561981262 /nfs/dbraw/zinc/98/12/62/561981262.db2.gz FXCGZOIUXOVRMD-STROYTFGSA-N 1 0 526.681 4.053 1 0 KIAFRO CC[C@@H]1C[C@H](OC)C[C@H](COC(=O)N2CCC([NH+]3CCCCC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028950622 561981341 /nfs/dbraw/zinc/98/13/41/561981341.db2.gz YFVOIZOCKPSNFU-JRFVFWCSSA-N 1 0 542.142 4.374 1 0 KIAFRO CC[C@@H]1C[C@@H](OC)C[C@H](COC(=O)N2CCC([NH+]3CCCCC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028950625 561981394 /nfs/dbraw/zinc/98/13/94/561981394.db2.gz YFVOIZOCKPSNFU-GMKZXUHWSA-N 1 0 542.142 4.374 1 0 KIAFRO CC[NH+](CC)CCNC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 ZINC000028951750 561981818 /nfs/dbraw/zinc/98/18/18/561981818.db2.gz HAQQTZNLPUNEGW-UHFFFAOYSA-N 1 0 525.556 4.339 1 0 KIAFRO CC(C)(C)NC(=O)[C@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000028952428 561981892 /nfs/dbraw/zinc/98/18/92/561981892.db2.gz YYDSDVRRYCMWAV-VWLOTQADSA-N 1 0 554.613 4.292 1 0 KIAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCC(C)C)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952447 561982096 /nfs/dbraw/zinc/98/20/96/561982096.db2.gz VTNBYIKQXYVSCU-VWLOTQADSA-N 1 0 577.692 4.309 1 0 KIAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)C)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952449 561982065 /nfs/dbraw/zinc/98/20/65/561982065.db2.gz OOSQXBZSECPDGT-DEOSSOPVSA-N 1 0 607.674 4.198 1 0 KIAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cc(NCC(C)C)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952462 561982084 /nfs/dbraw/zinc/98/20/84/561982084.db2.gz JHAFSIDCLSAERO-VWLOTQADSA-N 1 0 577.692 4.309 1 0 KIAFRO CCC(=O)N1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccncc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953950 561982768 /nfs/dbraw/zinc/98/27/68/561982768.db2.gz XMYJAXBXXMUADJ-IZLXSDGUSA-N 1 0 552.163 4.324 1 0 KIAFRO CCNC(=O)N1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccncc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953952 561982749 /nfs/dbraw/zinc/98/27/49/561982749.db2.gz DIYHOCNOCQSSTC-IZLXSDGUSA-N 1 0 567.178 4.117 1 0 KIAFRO O=C(N1CC[C@H](CNS(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000028956111 561983020 /nfs/dbraw/zinc/98/30/20/561983020.db2.gz PUGOCDAJBXFDDE-MSOLQXFVSA-N 1 0 543.180 4.410 1 0 KIAFRO CS(=O)(=O)Nc1c(O)ccc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)c1F ZINC000028957987 561983459 /nfs/dbraw/zinc/98/34/59/561983459.db2.gz MZJVFYBQIVBRLG-CTNGQTDRSA-N 1 0 510.534 4.111 1 0 KIAFRO CS(=O)(=O)Nc1cc(CC[C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O ZINC000028958011 561983407 /nfs/dbraw/zinc/98/34/07/561983407.db2.gz MQEQMQDFRYVBCZ-FYYLOGMGSA-N 1 0 520.598 4.232 1 0 KIAFRO CC(C)[C@H]1C(=O)Nc2cccc(OC[C@@H](O)C[NH2+]C(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 ZINC000028958012 561983451 /nfs/dbraw/zinc/98/34/51/561983451.db2.gz GJQJAGBAGXHUOX-HFZDXXHNSA-N 1 0 532.641 4.015 1 0 KIAFRO CC(C)C[C@H]1C(=O)Nc2cccc(OC[C@@H](O)C[NH2+]C(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 ZINC000028958015 561983426 /nfs/dbraw/zinc/98/34/26/561983426.db2.gz JSEVUWGJHDUHQY-LADGPHEKSA-N 1 0 546.668 4.405 1 0 KIAFRO CCC1(CC)C(=O)Nc2cccc(OC[C@@H](O)C[NH2+]C(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 ZINC000028958030 561983428 /nfs/dbraw/zinc/98/34/28/561983428.db2.gz FCHGBYSOXBSHIM-QFIPXVFZSA-N 1 0 546.668 4.333 1 0 KIAFRO CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2c1C1(CCCCC1)C(=O)N2 ZINC000028958060 561983540 /nfs/dbraw/zinc/98/35/40/561983540.db2.gz GUAOIBYEPJOBMW-QHCPKHFHSA-N 1 0 558.679 4.477 1 0 KIAFRO CS(=O)(=O)Nc1cc(C[C@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O ZINC000028958089 561983569 /nfs/dbraw/zinc/98/35/69/561983569.db2.gz FELOGKHNKMHLIR-VQTJNVASSA-N 1 0 572.577 4.444 1 0 KIAFRO CS(=O)(=O)Nc1cc(C[C@H](O)C[NH2+]C(c2ccc(OC(F)F)cc2)c2ccc(OC(F)F)cc2)ccc1O ZINC000028958114 561983567 /nfs/dbraw/zinc/98/35/67/561983567.db2.gz WNASSUBAOGLYFA-SFHVURJKSA-N 1 0 558.550 4.249 1 0 KIAFRO COc1ccc([C@H](CCc2ccccc2Cl)[NH2+]C[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC ZINC000028958145 561983688 /nfs/dbraw/zinc/98/36/88/561983688.db2.gz HDLXDLDDNWHJGJ-GGAORHGYSA-N 1 0 549.089 4.301 1 0 KIAFRO COc1ccc([C@H](CCc2cccc(Cl)c2)[NH2+]C[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC ZINC000028958150 561983708 /nfs/dbraw/zinc/98/37/08/561983708.db2.gz UBISJHGCXANUDM-PKTZIBPZSA-N 1 0 549.089 4.301 1 0 KIAFRO COc1ccc([C@H](CCc2ccc(Cl)cc2)[NH2+]C[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC ZINC000028958156 561983706 /nfs/dbraw/zinc/98/37/06/561983706.db2.gz QJXDPNWALDKJNB-PKTZIBPZSA-N 1 0 549.089 4.301 1 0 KIAFRO NC(=O)c1cc(C(=O)N2CCc3cc(-c4ccccc4C[NH+]4CCCC4)ccc32)n(-c2ccc3onc(N)c3c2)n1 ZINC000028959520 561983775 /nfs/dbraw/zinc/98/37/75/561983775.db2.gz YEIXBTGYWGRTKX-UHFFFAOYSA-N 1 0 547.619 4.160 1 0 KIAFRO C[NH+](C)Cc1n[nH]cc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000028964215 561984666 /nfs/dbraw/zinc/98/46/66/561984666.db2.gz WSQATAJBAWYABP-UHFFFAOYSA-N 1 0 528.523 4.245 1 0 KIAFRO C[n+]1cccc(NC(=O)[C@@H]2CN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CCN2C(=O)NC2CC2)c1 ZINC000028968221 561985529 /nfs/dbraw/zinc/98/55/29/561985529.db2.gz FFCXDFZWKZTWJN-AHKZPQOWSA-O 1 0 610.964 4.007 1 0 KIAFRO C[n+]1cccc(NC(=O)[C@H]2CN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CCN2C(=O)NC2CC2)c1 ZINC000028968226 561985457 /nfs/dbraw/zinc/98/54/57/561985457.db2.gz FFCXDFZWKZTWJN-XNMGPUDCSA-O 1 0 610.964 4.007 1 0 KIAFRO Cc1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(I)c2)c1 ZINC000028968540 561985665 /nfs/dbraw/zinc/98/56/65/561985665.db2.gz BBSHSTBMSJDAJL-BJKOFHAPSA-N 1 0 550.387 4.370 1 0 KIAFRO COC(=O)N1CC[C@@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)[C@H](C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000028975255 561986510 /nfs/dbraw/zinc/98/65/10/561986510.db2.gz DHQXUOIIIYPFBB-QZNHQXDQSA-N 1 0 545.681 4.326 1 0 KIAFRO CCC(=O)N1CC[C@@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)[C@H](C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000028975267 561986435 /nfs/dbraw/zinc/98/64/35/561986435.db2.gz VUHMEMLHQJXDJC-WMTXJRDZSA-N 1 0 543.709 4.497 1 0 KIAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975271 561986501 /nfs/dbraw/zinc/98/65/01/561986501.db2.gz RRVDFHOPPCFMQT-QQKQFIJSSA-N 1 0 555.720 4.497 1 0 KIAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975277 561986474 /nfs/dbraw/zinc/98/64/74/561986474.db2.gz VAPZFBXTIPERDF-WMTXJRDZSA-N 1 0 529.682 4.106 1 0 KIAFRO CCNC(=O)N1CC[C@@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)[C@H](C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000028975289 561986383 /nfs/dbraw/zinc/98/63/83/561986383.db2.gz WKMAJEHBPREIER-WMTXJRDZSA-N 1 0 558.724 4.289 1 0 KIAFRO CC(=O)CN1CC[C@@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)[C@H](C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000028975318 561986463 /nfs/dbraw/zinc/98/64/63/561986463.db2.gz KQPUQEUKQSELDJ-JBRSBNLGSA-N 1 0 543.709 4.149 1 0 KIAFRO COC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)C1 ZINC000028975375 561986585 /nfs/dbraw/zinc/98/65/85/561986585.db2.gz LZPOCRZQAOZURJ-QNWVGRARSA-N 1 0 545.681 4.326 1 0 KIAFRO CCC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)C1 ZINC000028975381 561986625 /nfs/dbraw/zinc/98/66/25/561986625.db2.gz FCEGPTNQXBCGQY-WPFOTENUSA-N 1 0 543.709 4.497 1 0 KIAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)C3CC3)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975386 561986581 /nfs/dbraw/zinc/98/65/81/561986581.db2.gz QYZCRHUUDLMPAO-UMXIMWEHSA-N 1 0 555.720 4.497 1 0 KIAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(C)=O)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975388 561986674 /nfs/dbraw/zinc/98/66/74/561986674.db2.gz ZFRLEPMXXGKKBN-WPFOTENUSA-N 1 0 529.682 4.106 1 0 KIAFRO CCNC(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)C1 ZINC000028975399 561986577 /nfs/dbraw/zinc/98/65/77/561986577.db2.gz PBDIBHOSSWBUEA-WPFOTENUSA-N 1 0 558.724 4.289 1 0 KIAFRO CC(=O)CN1CC[C@@H](C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)C1 ZINC000028975427 561986629 /nfs/dbraw/zinc/98/66/29/561986629.db2.gz UNLORHRTORLFAX-SONWIMMPSA-N 1 0 543.709 4.149 1 0 KIAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975463 561986604 /nfs/dbraw/zinc/98/66/04/561986604.db2.gz HAOJBCWTKNVFJG-QNWVGRARSA-N 1 0 501.672 4.190 1 0 KIAFRO Nc1ccccc1NC(=O)c1cc2ccc([C@@H]([NH2+]CCc3ccccc3)C(=O)NCCN3CCOCC3)cc2s1 ZINC000028976293 561986757 /nfs/dbraw/zinc/98/67/57/561986757.db2.gz YXSLUMKKLSJPHR-GDLZYMKVSA-N 1 0 557.720 4.058 1 0 KIAFRO Nc1ccccc1NC(=O)c1cc2ccc([C@H]([NH2+]CCc3ccccc3)C(=O)NCCN3CCOCC3)cc2s1 ZINC000028976296 561986742 /nfs/dbraw/zinc/98/67/42/561986742.db2.gz YXSLUMKKLSJPHR-LJAQVGFWSA-N 1 0 557.720 4.058 1 0 KIAFRO C[NH+](C)CCN[C@@H](C(=O)NCc1ccccc1)c1ccc2cc(C(=O)Nc3ccccc3N)sc2c1 ZINC000028976322 561986882 /nfs/dbraw/zinc/98/68/82/561986882.db2.gz BYZKEETTZOQSEE-AREMUKBSSA-N 1 0 501.656 4.245 1 0 KIAFRO C[NH+](C)CCN[C@H](C(=O)NCc1ccccc1)c1ccc2cc(C(=O)Nc3ccccc3N)sc2c1 ZINC000028976328 561986868 /nfs/dbraw/zinc/98/68/68/561986868.db2.gz BYZKEETTZOQSEE-SANMLTNESA-N 1 0 501.656 4.245 1 0 KIAFRO C[C@H](CCCN1CC[NH+](C)CC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978203 561987675 /nfs/dbraw/zinc/98/76/75/561987675.db2.gz PJYJVOOEUMWBBK-GOSISDBHSA-N 1 0 500.492 4.097 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCCCCC2)cc(N2CCCC2=O)c1 ZINC000028978376 561987835 /nfs/dbraw/zinc/98/78/35/561987835.db2.gz MWGLTIRECTZMSF-WUFINQPMSA-N 1 0 506.691 4.260 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CC2CCCCC2)cc(N2CCCC2=O)c1 ZINC000028978389 561987867 /nfs/dbraw/zinc/98/78/67/561987867.db2.gz CLVVTNIMNXEYMC-WUFINQPMSA-N 1 0 506.691 4.117 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCCCC(C)C)cc(N2CCCC2=O)c1 ZINC000028978402 561987796 /nfs/dbraw/zinc/98/77/96/561987796.db2.gz KDFMFNIYGTUGIZ-WUFINQPMSA-N 1 0 508.707 4.363 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H]2CCc3ccccc32)cc(N2CCCC2=O)c1 ZINC000028978447 561987816 /nfs/dbraw/zinc/98/78/16/561987816.db2.gz NLSNSOOHLJWWBV-OIFRRMEBSA-N 1 0 526.681 4.224 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H]2CCc3ccccc32)cc(N2CCCC2=O)c1 ZINC000028978451 561987800 /nfs/dbraw/zinc/98/78/00/561987800.db2.gz NLSNSOOHLJWWBV-DYIKCSJPSA-N 1 0 526.681 4.224 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(Cl)c2)cc(N2CCCC2=O)c1 ZINC000028978595 561987807 /nfs/dbraw/zinc/98/78/07/561987807.db2.gz ZYPHKMBWKDJJOF-WUFINQPMSA-N 1 0 535.088 4.390 1 0 KIAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(C(=O)NCCC(N)=O)CC4)cc3)nc2n1 ZINC000028980055 561988501 /nfs/dbraw/zinc/98/85/01/561988501.db2.gz AYBAQJBGLXKFMK-UHFFFAOYSA-N 1 0 540.693 4.284 1 0 KIAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(NC(=O)CNC(C)=O)CC4)cc3)nc2n1 ZINC000028980059 561988496 /nfs/dbraw/zinc/98/84/96/561988496.db2.gz QCSBUEMDGVYHPM-UHFFFAOYSA-N 1 0 540.693 4.297 1 0 KIAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)c1 ZINC000029037415 561988540 /nfs/dbraw/zinc/98/85/40/561988540.db2.gz HIQWWDCRULXYDF-SWROZOJRSA-N 1 0 658.821 4.074 1 0 in-vitro KIAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)c1 ZINC000029037417 561988530 /nfs/dbraw/zinc/98/85/30/561988530.db2.gz HIQWWDCRULXYDF-ZCWDHQIGSA-N 1 0 658.821 4.074 1 0 KIAFRO Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000029038368 561988825 /nfs/dbraw/zinc/98/88/25/561988825.db2.gz CFVOAVDAPUQRNK-HNNXBMFYSA-N 1 0 561.531 4.135 1 0 KIAFRO Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000029038372 561988839 /nfs/dbraw/zinc/98/88/39/561988839.db2.gz CFVOAVDAPUQRNK-OAHLLOKOSA-N 1 0 561.531 4.135 1 0 KIAFRO O=C(CC1([C@H]2CCC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000029038572 561989112 /nfs/dbraw/zinc/98/91/12/561989112.db2.gz VSGMPHWPOWPCHF-XZOQPEGZSA-N 1 0 506.112 4.187 1 0 KIAFRO CC(C)[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](CCCC[NH3+])NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000029038805 561989259 /nfs/dbraw/zinc/98/92/59/561989259.db2.gz ONOYUTWLJMYVIJ-QKKBWIMNSA-N 1 0 629.590 4.323 1 0 KIAFRO CSc1sc(C(N)=[NH2+])cc1S(=O)(=O)c1cccc(-c2c(C)cccc2NC(=O)CCCS(C)(=O)=O)c1 ZINC000029038850 561989344 /nfs/dbraw/zinc/98/93/44/561989344.db2.gz GAZAGVAXNMLAKH-UHFFFAOYSA-N 1 0 565.764 4.326 1 0 KIAFRO C[C@@H](NC(=O)Nc1cccc(-c2nnnn2C)c1)[C@@H](O)C[N@H+](CCCc1ccc(F)cc1)C1CCCCC1 ZINC000029039057 561989457 /nfs/dbraw/zinc/98/94/57/561989457.db2.gz PNWLTYBLOADJOL-IBVKSMDESA-N 1 0 523.657 4.155 1 0 KIAFRO C[NH2+]CC(=O)N[C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039318 561989767 /nfs/dbraw/zinc/98/97/67/561989767.db2.gz CLFRWIZLMHYBBE-ZNZIZOMTSA-N 1 0 643.172 4.259 1 0 KIAFRO CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2COC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039391 561989877 /nfs/dbraw/zinc/98/98/77/561989877.db2.gz KANMEUVRSWNCQC-SKVJQKLOSA-N 1 0 559.126 4.323 1 0 KIAFRO CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@H]2COC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039393 561989849 /nfs/dbraw/zinc/98/98/49/561989849.db2.gz KANMEUVRSWNCQC-QQNWGBJXSA-N 1 0 559.126 4.323 1 0 KIAFRO CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2COC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039395 561989882 /nfs/dbraw/zinc/98/98/82/561989882.db2.gz KANMEUVRSWNCQC-OARDWFSCSA-N 1 0 559.126 4.323 1 0 KIAFRO CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@H]2COC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029039397 561989858 /nfs/dbraw/zinc/98/98/58/561989858.db2.gz KANMEUVRSWNCQC-VBOOUTDYSA-N 1 0 559.126 4.323 1 0 KIAFRO CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(N2CCCS2(=O)=O)c1 ZINC000029039594 561990053 /nfs/dbraw/zinc/99/00/53/561990053.db2.gz QCGIDYZRRCDEKC-WUFINQPMSA-N 1 0 605.679 4.136 1 0 KIAFRO CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039602 561990119 /nfs/dbraw/zinc/99/01/19/561990119.db2.gz YEZDYUAEDBVCGS-URLMMPGGSA-N 1 0 635.705 4.406 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039604 561990079 /nfs/dbraw/zinc/99/00/79/561990079.db2.gz XLBWUOMBCABEHD-URLMMPGGSA-N 1 0 634.721 4.439 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H]2CCc3ccccc32)cc(N2CCCCS2(=O)=O)c1 ZINC000029039608 561990071 /nfs/dbraw/zinc/99/00/71/561990071.db2.gz PRQFEELAHDKHBV-RWSKJCERSA-N 1 0 576.763 4.028 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H]2CCc3ccc(OC)cc32)cc(N2CCCCS2(=O)=O)c1 ZINC000029039610 561990067 /nfs/dbraw/zinc/99/00/67/561990067.db2.gz AZLWHCAOZGWHCN-YKILCQELSA-N 1 0 606.789 4.036 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H]2CCc3ccc(OC)cc32)cc(N2CCCCS2(=O)=O)c1 ZINC000029039612 561990086 /nfs/dbraw/zinc/99/00/86/561990086.db2.gz AZLWHCAOZGWHCN-OWHBQTKESA-N 1 0 606.789 4.036 1 0 KIAFRO Cc1c(OCCN2CC[NH+](C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4cc(F)ccc4F)cc3F)c12 ZINC000029040560 561990687 /nfs/dbraw/zinc/99/06/87/561990687.db2.gz BLAYOGMXAWDIJF-UHFFFAOYSA-N 1 0 540.546 4.126 1 0 KIAFRO Cc1c(OCCN2CC[NH+](C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4c(F)cccc4F)cc3F)c12 ZINC000029040562 561990679 /nfs/dbraw/zinc/99/06/79/561990679.db2.gz RIBBCWWZYMCWOO-UHFFFAOYSA-N 1 0 540.546 4.126 1 0 KIAFRO Cc1c(OCCN2CC[NH+](C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4cc(C)ccc4F)cc3F)c12 ZINC000029040564 561990660 /nfs/dbraw/zinc/99/06/60/561990660.db2.gz FWNHQACWPUSEBW-UHFFFAOYSA-N 1 0 536.583 4.295 1 0 KIAFRO CC(=O)c1cccc(C(=O)Nc2ccc(Oc3ncnn4cc(OCCN5CC[NH+](C)CC5)c(C)c34)c(F)c2)c1 ZINC000029040566 561990673 /nfs/dbraw/zinc/99/06/73/561990673.db2.gz WTRBLDMEOQKMME-UHFFFAOYSA-N 1 0 546.603 4.050 1 0 KIAFRO Cc1c(OCC[NH+](C)C)cn2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12 ZINC000029040600 561990670 /nfs/dbraw/zinc/99/06/70/561990670.db2.gz HWOXQSUVADVKLF-UHFFFAOYSA-N 1 0 524.528 4.016 1 0 KIAFRO Cc1c(OCCC[NH+](C)C)cn2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12 ZINC000029040602 561990784 /nfs/dbraw/zinc/99/07/84/561990784.db2.gz NHDPKNXRQJKSBS-UHFFFAOYSA-N 1 0 538.555 4.406 1 0 KIAFRO Cc1c(OCCC[NH+](C)C)cn2ncnc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12 ZINC000029040608 561990812 /nfs/dbraw/zinc/99/08/12/561990812.db2.gz LTJJQWUFSHDXIN-UHFFFAOYSA-N 1 0 538.555 4.330 1 0 KIAFRO Cc1ccc(N2CCN(C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)CCN3C(=O)N(C)C)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000029041100 561990978 /nfs/dbraw/zinc/99/09/78/561990978.db2.gz SXCMSCHMAVFUOD-DURWQBQJSA-N 1 0 526.125 4.493 1 0 KIAFRO Cc1ccc(N2CCN(C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)CCN3C(=O)N(C)C)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000029041102 561990953 /nfs/dbraw/zinc/99/09/53/561990953.db2.gz SXCMSCHMAVFUOD-YGPDHOBYSA-N 1 0 526.125 4.493 1 0 KIAFRO CN(Cc1ccccc1)S(=O)(=O)c1cc2c(cc1CC(=O)N(C)[C@H](C[NH+]1CCCC1)c1ccccc1)OCO2 ZINC000029042552 561991668 /nfs/dbraw/zinc/99/16/68/561991668.db2.gz LVQQMUZNNNCVGV-AREMUKBSSA-N 1 0 549.693 4.074 1 0 KIAFRO COc1cc(CC(=O)N(C)[C@H](C[NH+]2CCCC2)c2ccccc2)c(S(=O)(=O)N(C)Cc2ccccc2)cc1OC ZINC000029043119 561991975 /nfs/dbraw/zinc/99/19/75/561991975.db2.gz PMZVHFNHFUXDRX-HHHXNRCGSA-N 1 0 565.736 4.363 1 0 KIAFRO CS(=O)(=O)Nc1ccc2[nH]cc(C3CC[NH+]([C@@H](CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 ZINC000029044145 561992170 /nfs/dbraw/zinc/99/21/70/561992170.db2.gz LWCOKLASNGTQPC-QQUMZOFZSA-N 1 0 604.695 4.449 1 0 KIAFRO CS(=O)(=O)Nc1ccc2[nH]cc(C3CC[NH+]([C@H](CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 ZINC000029044148 561992219 /nfs/dbraw/zinc/99/22/19/561992219.db2.gz LWCOKLASNGTQPC-KREPMNCTSA-N 1 0 604.695 4.449 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)[NH2+]C3CCCC3)c2=O)c1F ZINC000029044235 561992210 /nfs/dbraw/zinc/99/22/10/561992210.db2.gz XTOLERVEHAIVDS-MRXNPFEDSA-N 1 0 501.549 4.380 1 0 KIAFRO COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)N[C@H](C[NH+](C)C)c4ccccc4)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000029045461 561992470 /nfs/dbraw/zinc/99/24/70/561992470.db2.gz GWFLBGDVJNIUJZ-HHHXNRCGSA-N 1 0 649.818 4.015 1 0 KIAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@]2(Cc3ccccc3)CN(Cc3ccccc3)C(=O)N2)c1 ZINC000029049068 561993777 /nfs/dbraw/zinc/99/37/77/561993777.db2.gz DCJGHBWTJFHQCR-UEHMVRIRSA-N 1 0 605.783 4.138 1 0 in-vitro KIAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3cc(Br)cc(Br)c3)C(=O)N2)c1 ZINC000029049071 561993887 /nfs/dbraw/zinc/99/38/87/561993887.db2.gz LQWBBXAAGLDDLN-GMQQYTKMSA-N 1 0 659.423 4.054 1 0 KIAFRO CC(C)(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 ZINC000029050216 561994119 /nfs/dbraw/zinc/99/41/19/561994119.db2.gz AJVQSIIGUPEAOP-YTCPBCGMSA-N 1 0 600.657 4.313 1 0 KIAFRO CC(C)(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 ZINC000029050226 561994224 /nfs/dbraw/zinc/99/42/24/561994224.db2.gz DNLDGHIHLKXPEZ-YTCPBCGMSA-N 1 0 564.677 4.034 1 0 KIAFRO C[NH2+]CCNc1nc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)OC4(C)C)o2)c(OC)n1 ZINC000029060715 561995669 /nfs/dbraw/zinc/99/56/69/561995669.db2.gz GIDNMCNEHLMVTA-UHFFFAOYSA-N 1 0 523.634 4.370 1 0 KIAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4cn[nH]n4)c3=O)CC2)C(C)C)c1 ZINC000029062365 561996062 /nfs/dbraw/zinc/99/60/62/561996062.db2.gz NHQJUQCJZBZVER-MHZLTWQESA-N 1 0 518.662 4.417 1 0 KIAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4cn[nH]n4)c3=O)CC2)C(C)C)c1 ZINC000029062371 561996065 /nfs/dbraw/zinc/99/60/65/561996065.db2.gz NHQJUQCJZBZVER-HHHXNRCGSA-N 1 0 518.662 4.417 1 0 KIAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4ncn(C)n4)c3=O)CC2)C(C)C)c1 ZINC000029062759 561996058 /nfs/dbraw/zinc/99/60/58/561996058.db2.gz SAWIZGOJYKFKJJ-MHZLTWQESA-N 1 0 532.689 4.427 1 0 KIAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4ncn(C)n4)c3=O)CC2)C(C)C)c1 ZINC000029062763 561996126 /nfs/dbraw/zinc/99/61/26/561996126.db2.gz SAWIZGOJYKFKJJ-HHHXNRCGSA-N 1 0 532.689 4.427 1 0 KIAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4ncnn4C)c3=O)CC2)C(C)C)c1 ZINC000029062775 561996191 /nfs/dbraw/zinc/99/61/91/561996191.db2.gz WFUHWZTWUBWDFA-MHZLTWQESA-N 1 0 532.689 4.427 1 0 KIAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4ncnn4C)c3=O)CC2)C(C)C)c1 ZINC000029062781 561996217 /nfs/dbraw/zinc/99/62/17/561996217.db2.gz WFUHWZTWUBWDFA-HHHXNRCGSA-N 1 0 532.689 4.427 1 0 KIAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4nc[nH]n4)c3=O)CC2)C(C)C)c1 ZINC000029062786 561996147 /nfs/dbraw/zinc/99/61/47/561996147.db2.gz QMBXCQBKMMLGAG-SANMLTNESA-N 1 0 518.662 4.417 1 0 KIAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4nc[nH]n4)c3=O)CC2)C(C)C)c1 ZINC000029062791 561996195 /nfs/dbraw/zinc/99/61/95/561996195.db2.gz QMBXCQBKMMLGAG-AREMUKBSSA-N 1 0 518.662 4.417 1 0 KIAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cn4cncn4)c3=O)CC2)C(C)C)c1 ZINC000029063408 561996163 /nfs/dbraw/zinc/99/61/63/561996163.db2.gz FSLVJDKIQJTQTF-MHZLTWQESA-N 1 0 518.662 4.348 1 0 KIAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cn4cncn4)c3=O)CC2)C(C)C)c1 ZINC000029063413 561996176 /nfs/dbraw/zinc/99/61/76/561996176.db2.gz FSLVJDKIQJTQTF-HHHXNRCGSA-N 1 0 518.662 4.348 1 0 KIAFRO O=C(CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)NCc1nc2cc(F)ccc2c(=O)n1-c1ccccc1 ZINC000029064445 561996300 /nfs/dbraw/zinc/99/63/00/561996300.db2.gz UNIGHCHPIKPGCY-UHFFFAOYSA-N 1 0 534.035 4.397 1 0 KIAFRO Cc1ccc(N2CC[NH+](CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)cc1C ZINC000029123093 561996407 /nfs/dbraw/zinc/99/64/07/561996407.db2.gz HTPUQSWPDNLQRB-UHFFFAOYSA-N 1 0 527.644 4.360 1 0 KIAFRO Cc1ccc(C)c(N2CC[NH+](CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c1 ZINC000029123094 561996427 /nfs/dbraw/zinc/99/64/27/561996427.db2.gz FLTBGIMBKXIGKE-UHFFFAOYSA-N 1 0 527.644 4.360 1 0 KIAFRO O=C(CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCc1nc2cc(F)ccc2c(=O)n1-c1ccccc1 ZINC000029123095 561996403 /nfs/dbraw/zinc/99/64/03/561996403.db2.gz CKNHVAKILDCRHN-UHFFFAOYSA-N 1 0 534.035 4.397 1 0 KIAFRO Cc1ccc(N2CC[NH+](CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c(C)c1 ZINC000029123117 561996453 /nfs/dbraw/zinc/99/64/53/561996453.db2.gz NNRWWFUGGDFULC-UHFFFAOYSA-N 1 0 527.644 4.360 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1 ZINC000029123118 561996434 /nfs/dbraw/zinc/99/64/34/561996434.db2.gz DBJFBHNMHQIBDU-UHFFFAOYSA-N 1 0 573.669 4.151 1 0 KIAFRO Cc1cccc(N2CC[NH+](CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c1C ZINC000029123120 561996395 /nfs/dbraw/zinc/99/63/95/561996395.db2.gz XITNJWUZFRCEAM-UHFFFAOYSA-N 1 0 527.644 4.360 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccc(OC)cc2)CC1 ZINC000029123154 561996600 /nfs/dbraw/zinc/99/66/00/561996600.db2.gz OBUBLVFQIMPZAM-UHFFFAOYSA-N 1 0 573.669 4.151 1 0 KIAFRO O=C(CCC[NH+]1CCN(c2ccccc2Cl)CC1)NCc1nc2cc(F)ccc2c(=O)n1-c1ccccc1 ZINC000029123155 561996568 /nfs/dbraw/zinc/99/65/68/561996568.db2.gz KVQXSHGOFAZRHT-UHFFFAOYSA-N 1 0 534.035 4.397 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)CC1 ZINC000029123187 561996562 /nfs/dbraw/zinc/99/65/62/561996562.db2.gz ZMAHFBWNKYTFGE-UHFFFAOYSA-N 1 0 555.679 4.012 1 0 KIAFRO O=C(CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)NCc1nc2ccc(F)cc2c(=O)n1-c1ccccc1 ZINC000029123188 561996551 /nfs/dbraw/zinc/99/65/51/561996551.db2.gz CMQIETMVTPJWHE-UHFFFAOYSA-N 1 0 534.035 4.397 1 0 KIAFRO O=C(CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCc1nc2ccc(F)cc2c(=O)n1-c1ccccc1 ZINC000029123189 561996547 /nfs/dbraw/zinc/99/65/47/561996547.db2.gz DQSLXRAKKGKMEU-UHFFFAOYSA-N 1 0 534.035 4.397 1 0 KIAFRO O=C(CCC[NH+]1CCN(c2ccccc2Cl)CC1)NCc1nc2ccc(F)cc2c(=O)n1-c1ccccc1 ZINC000029123229 561996565 /nfs/dbraw/zinc/99/65/65/561996565.db2.gz BOBXQAFBYQWQOD-UHFFFAOYSA-N 1 0 534.035 4.397 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2cccc(OC)c2)CC1 ZINC000029123270 561996545 /nfs/dbraw/zinc/99/65/45/561996545.db2.gz CFXQLYMMDMXUBI-UHFFFAOYSA-N 1 0 573.669 4.151 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1 ZINC000029123305 561996749 /nfs/dbraw/zinc/99/67/49/561996749.db2.gz JHLOYGVWDKMLLX-UHFFFAOYSA-N 1 0 525.653 4.003 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1 ZINC000029123336 561996752 /nfs/dbraw/zinc/99/67/52/561996752.db2.gz YXCCWMIVUWHPFT-UHFFFAOYSA-N 1 0 543.643 4.142 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2cccc(OC)c2)CC1 ZINC000029123337 561996711 /nfs/dbraw/zinc/99/67/11/561996711.db2.gz BXISQTMBCJKVHJ-UHFFFAOYSA-N 1 0 573.669 4.151 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)CC1 ZINC000029123372 561996697 /nfs/dbraw/zinc/99/66/97/561996697.db2.gz XZWAEMIDJXKIND-UHFFFAOYSA-N 1 0 555.679 4.012 1 0 KIAFRO Cc1ccc(N2CC[NH+](CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)cc1C ZINC000029123375 561996746 /nfs/dbraw/zinc/99/67/46/561996746.db2.gz BMUPWLZEOZICMG-UHFFFAOYSA-N 1 0 509.654 4.221 1 0 KIAFRO Cc1ccc(C)c(N2CC[NH+](CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c1 ZINC000029123376 561996725 /nfs/dbraw/zinc/99/67/25/561996725.db2.gz VEUXEVRAEGSOLY-UHFFFAOYSA-N 1 0 509.654 4.221 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2OC)CC1 ZINC000029123424 561996764 /nfs/dbraw/zinc/99/67/64/561996764.db2.gz RSUVPDKLBVYZSF-UHFFFAOYSA-N 1 0 573.669 4.151 1 0 KIAFRO Cc1ccc(N2CC[NH+](CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c(C)c1 ZINC000029123432 561996792 /nfs/dbraw/zinc/99/67/92/561996792.db2.gz DUCIPEMQHLCNBB-UHFFFAOYSA-N 1 0 509.654 4.221 1 0 KIAFRO Cc1cccc(N2CC[NH+](CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c1C ZINC000029123434 561996874 /nfs/dbraw/zinc/99/68/74/561996874.db2.gz LSBYSFJBFKEHKG-UHFFFAOYSA-N 1 0 509.654 4.221 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2OC)CC1 ZINC000029123484 561996778 /nfs/dbraw/zinc/99/67/78/561996778.db2.gz JZIIWAIHAZRLQB-UHFFFAOYSA-N 1 0 573.669 4.151 1 0 KIAFRO O=C(CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)NCc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000029123493 561996855 /nfs/dbraw/zinc/99/68/55/561996855.db2.gz KXKWLPKPCDWCJL-UHFFFAOYSA-N 1 0 516.045 4.258 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2OC)CC1 ZINC000029123550 561996837 /nfs/dbraw/zinc/99/68/37/561996837.db2.gz RKEZUNCPEUVRKC-UHFFFAOYSA-N 1 0 555.679 4.012 1 0 KIAFRO Cc1ccc(N2CC[NH+](CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)cc1C ZINC000029123556 561996866 /nfs/dbraw/zinc/99/68/66/561996866.db2.gz BREVJYOVIPNEBP-UHFFFAOYSA-N 1 0 527.644 4.360 1 0 KIAFRO Cc1ccc(C)c(N2CC[NH+](CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)c1 ZINC000029123559 561996803 /nfs/dbraw/zinc/99/68/03/561996803.db2.gz YZIALPZCOMNADK-UHFFFAOYSA-N 1 0 527.644 4.360 1 0 KIAFRO O=C(CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000029123562 561996849 /nfs/dbraw/zinc/99/68/49/561996849.db2.gz SVMFKEXNPVILOO-UHFFFAOYSA-N 1 0 516.045 4.258 1 0 KIAFRO O=C(CCC[NH+]1CCN(c2ccccc2Cl)CC1)NCc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000029123564 561996870 /nfs/dbraw/zinc/99/68/70/561996870.db2.gz ZRBUUINYBXDNLM-UHFFFAOYSA-N 1 0 516.045 4.258 1 0 KIAFRO Cc1ccc(N2CC[NH+](CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)c(C)c1 ZINC000029123621 561996811 /nfs/dbraw/zinc/99/68/11/561996811.db2.gz GBOSKCRKLIFQFI-UHFFFAOYSA-N 1 0 527.644 4.360 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1 ZINC000029123667 561996841 /nfs/dbraw/zinc/99/68/41/561996841.db2.gz KOJCGDRJEPIJRS-UHFFFAOYSA-N 1 0 543.643 4.142 1 0 KIAFRO Cc1cccc(N2CC[NH+](CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)c1C ZINC000029123670 561996816 /nfs/dbraw/zinc/99/68/16/561996816.db2.gz JLBUARJMJJDHRK-UHFFFAOYSA-N 1 0 527.644 4.360 1 0 KIAFRO [NH3+][C@@H](CO)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125446 561997573 /nfs/dbraw/zinc/99/75/73/561997573.db2.gz KUXCIVMUCJPGKB-QFIPXVFZSA-N 1 0 546.838 4.433 1 0 KIAFRO [NH3+][C@H](CO)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125447 561997586 /nfs/dbraw/zinc/99/75/86/561997586.db2.gz KUXCIVMUCJPGKB-JOCHJYFZSA-N 1 0 546.838 4.433 1 0 KIAFRO O=S(=O)(c1ccccc1Br)N1CCC([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC000029125460 561997597 /nfs/dbraw/zinc/99/75/97/561997597.db2.gz GEIKHQRXCHGMAK-UHFFFAOYSA-N 1 0 513.885 4.239 1 0 KIAFRO CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000029125471 561997626 /nfs/dbraw/zinc/99/76/26/561997626.db2.gz RXLLECDUMUZHQF-CHQQOIJLSA-N 1 0 719.751 4.377 1 0 KIAFRO Nc1ncnc2c1ncn2C1CC[NH+](Cc2ccc(-c3ncc(-c4nn[nH]n4)cc3-c3ccccc3)cc2)CC1 ZINC000029125803 561998082 /nfs/dbraw/zinc/99/80/82/561998082.db2.gz IZQMTAROJNRODE-UHFFFAOYSA-N 1 0 529.612 4.155 1 0 KIAFRO O=S(=O)(c1ccccc1Cl)N1CCC([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)CC1 ZINC000029125833 561998061 /nfs/dbraw/zinc/99/80/61/561998061.db2.gz MZSPMQNFLVARLJ-UHFFFAOYSA-N 1 0 513.885 4.239 1 0 KIAFRO CN(CC[NH+](C)C)C(=O)CN([C@@H]1CCCN(c2ccc(N3CCCCC3=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125885 561998080 /nfs/dbraw/zinc/99/80/80/561998080.db2.gz VKRKFAWAOJZEOM-SSEXGKCCSA-N 1 0 672.223 4.356 1 0 KIAFRO CN(CC[NH+](C)C)C(=O)CN([C@H]1CCCN(c2ccc(N3CCCCC3=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125886 561998090 /nfs/dbraw/zinc/99/80/90/561998090.db2.gz VKRKFAWAOJZEOM-PMERELPUSA-N 1 0 672.223 4.356 1 0 KIAFRO CC(=O)N1CCN(C(C)=O)[C@@H](C[NH+]2CCC(c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)CC2)C1 ZINC000029125914 561998201 /nfs/dbraw/zinc/99/82/01/561998201.db2.gz DYQFJFNSBREXDL-SANMLTNESA-N 1 0 503.622 4.141 1 0 KIAFRO CC(=O)N1CCN(C(C)=O)[C@H](C[NH+]2CCC(c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)CC2)C1 ZINC000029125915 561998192 /nfs/dbraw/zinc/99/81/92/561998192.db2.gz DYQFJFNSBREXDL-AREMUKBSSA-N 1 0 503.622 4.141 1 0 KIAFRO O=S(=O)(c1ccccc1Br)N1CCC[C@@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000029126030 561998293 /nfs/dbraw/zinc/99/82/93/561998293.db2.gz JPVHAVKNORERGG-LJQANCHMSA-N 1 0 513.885 4.239 1 0 KIAFRO O=S(=O)(c1ccccc1Br)N1CCC[C@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000029126031 561998315 /nfs/dbraw/zinc/99/83/15/561998315.db2.gz JPVHAVKNORERGG-IBGZPJMESA-N 1 0 513.885 4.239 1 0 KIAFRO Cc1cc(-c2nc3cc4c(cc3o2)CC[N@H+](CCCSc2nnc(-c3ocnc3C)n2C)CC4)n(C)n1 ZINC000029126803 561998896 /nfs/dbraw/zinc/99/88/96/561998896.db2.gz PXMXBPLOQSHMBE-UHFFFAOYSA-N 1 0 518.647 4.212 1 0 KIAFRO Cc1cc(-c2nc3c(ccc4c3CC[N@H+](CCCSc3nnc(-c5ocnc5C)n3C)CC4)o2)n(C)n1 ZINC000029126826 561999061 /nfs/dbraw/zinc/99/90/61/561999061.db2.gz KHTUQDQSUXMHQA-UHFFFAOYSA-N 1 0 518.647 4.212 1 0 KIAFRO C[NH+](C)CCCOc1cc2c(cc1O)c1c(cc(-c3ccccc3Cl)c3c1C(=O)NC3=O)n2CCO ZINC000029127076 561999410 /nfs/dbraw/zinc/99/94/10/561999410.db2.gz JAAWGUUOBQPIMA-UHFFFAOYSA-N 1 0 507.974 4.027 1 0 KIAFRO Cc1cnc(-c2nnc(SCCC[N@@H+]3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)cn1 ZINC000029127103 561999422 /nfs/dbraw/zinc/99/94/22/561999422.db2.gz CLKWUUNGQCSMKW-UHFFFAOYSA-N 1 0 503.554 4.324 1 0 KIAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5c(cc4CC3)N(S(C)(=O)=O)CCO5)n2C)n1 ZINC000029127128 561999465 /nfs/dbraw/zinc/99/94/65/561999465.db2.gz UTIUIZHJMLEUQC-UHFFFAOYSA-N 1 0 578.764 4.080 1 0 KIAFRO CC[C@@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2cc(Cl)c(Cl)cc2c(C[n+]2ccccc2)c1C3 ZINC000029127149 561999526 /nfs/dbraw/zinc/99/95/26/561999526.db2.gz KRSVKCRSUSRNKJ-HHHXNRCGSA-N 1 0 523.396 4.112 1 0 KIAFRO CC[C@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2cc(Cl)c(Cl)cc2c(C[n+]2ccccc2)c1C3 ZINC000029127150 561999500 /nfs/dbraw/zinc/99/95/00/561999500.db2.gz KRSVKCRSUSRNKJ-MHZLTWQESA-N 1 0 523.396 4.112 1 0 KIAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5c(cc4CC3)N(C)C(=O)CO5)n2C)n1 ZINC000029127175 561999502 /nfs/dbraw/zinc/99/95/02/561999502.db2.gz ZENBFJWQHFZSBC-UHFFFAOYSA-N 1 0 528.682 4.277 1 0 KIAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5c(cc4CC3)OCC(=O)N5)n2C)n1 ZINC000029127236 561999687 /nfs/dbraw/zinc/99/96/87/561999687.db2.gz JQEQULOLEPTBRS-UHFFFAOYSA-N 1 0 514.655 4.253 1 0 KIAFRO O=C1NC(=O)c2c1c1c3cc(O)c(CCCC[NH+]4CCOCC4)cc3n(CCO)c1cc2-c1ccccc1Cl ZINC000029127504 561999922 /nfs/dbraw/zinc/99/99/22/561999922.db2.gz RZCATXGDVMCPBZ-UHFFFAOYSA-N 1 0 548.039 4.351 1 0 KIAFRO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(CNC(=O)NCC[N@H+](C2CCCCC2)C(C)(C)C)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000029127524 561999931 /nfs/dbraw/zinc/99/99/31/561999931.db2.gz IDLOKINWITUJRI-VIBCZQBBSA-N 1 0 741.938 4.058 1 0 KIAFRO CN(C)CC[NH2+]C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000029127587 562000100 /nfs/dbraw/zinc/00/01/00/562000100.db2.gz ZVTZAKGVPOGXRU-HKBQPEDESA-N 1 0 565.759 4.481 1 0 KIAFRO CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)NC5CC[NH+](Cc6ccccc6)CC5)cs4)cc3n21 ZINC000029127734 562000198 /nfs/dbraw/zinc/00/01/98/562000198.db2.gz XGMZRFLQBXOCKP-UHFFFAOYSA-N 1 0 556.692 4.223 1 0 KIAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(NC(=O)c2ccc3cc4n(c3c2)C2(CCC2)CNC4=O)n1 ZINC000029127735 562000232 /nfs/dbraw/zinc/00/02/32/562000232.db2.gz QXQDLEUEUWFHGW-UHFFFAOYSA-N 1 0 568.703 4.367 1 0 KIAFRO CC(C)(C)C[NH+]1CCC(NC(=O)c2csc(NC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)n2)CC1 ZINC000029127774 562000265 /nfs/dbraw/zinc/00/02/65/562000265.db2.gz MJQUKUIDCUNAAB-UHFFFAOYSA-N 1 0 548.713 4.213 1 0 KIAFRO CC(C)(C)C[NH+]1CCC(NC(=O)c2csc(NC(=O)c3ccc4cc5n(c4c3)C(C)(C)CNC5=O)n2)CC1 ZINC000029127776 562000179 /nfs/dbraw/zinc/00/01/79/562000179.db2.gz WWRZEFXYASLXQU-UHFFFAOYSA-N 1 0 536.702 4.069 1 0 KIAFRO C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)NC5CC[NH+](Cc6ccccc6)CC5)cs4)cc3n21 ZINC000029127813 562000252 /nfs/dbraw/zinc/00/02/52/562000252.db2.gz KMABUODWYFGFEI-GOSISDBHSA-N 1 0 542.665 4.049 1 0 KIAFRO C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)NC5CC[NH+](Cc6ccccc6)CC5)cs4)cc3n21 ZINC000029127814 562000183 /nfs/dbraw/zinc/00/01/83/562000183.db2.gz KMABUODWYFGFEI-SFHVURJKSA-N 1 0 542.665 4.049 1 0 KIAFRO CC(C)c1c(-c2nnc(OCC3CC[NH2+]CC3)o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12 ZINC000029127816 562000333 /nfs/dbraw/zinc/00/03/33/562000333.db2.gz OQLQJPJMZFAIDU-UHFFFAOYSA-N 1 0 552.586 4.195 1 0 KIAFRO CC(C)c1c(-c2nnc(NCCC[NH+](C)C)o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12 ZINC000029127969 562000469 /nfs/dbraw/zinc/00/04/69/562000469.db2.gz NATXHFKXFMNQDO-UHFFFAOYSA-N 1 0 539.591 4.180 1 0 KIAFRO CC(C)c1c(-c2nnc(NCC(C)(C)C[NH3+])o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12 ZINC000029128028 562000450 /nfs/dbraw/zinc/00/04/50/562000450.db2.gz RHBYGIDSEIHDRP-UHFFFAOYSA-N 1 0 539.591 4.214 1 0 KIAFRO O=S(=O)(c1ccc(F)cc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C[NH+]2CCCC2)C1 ZINC000029128215 562000712 /nfs/dbraw/zinc/00/07/12/562000712.db2.gz OYLSEWFMYDVUSK-MHZLTWQESA-N 1 0 510.610 4.267 1 0 KIAFRO CC(C)CNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1 ZINC000029128225 562000700 /nfs/dbraw/zinc/00/07/00/562000700.db2.gz ZQPHLZSMHOLSCJ-RJSONGRPSA-N 1 0 591.797 4.010 1 0 KIAFRO COC1CC[NH+](CCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 ZINC000029128714 562001171 /nfs/dbraw/zinc/00/11/71/562001171.db2.gz RHSAUGZCZKFNLC-UHFFFAOYSA-N 1 0 509.998 4.214 1 0 KIAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCCOC)CC[NH2+]2)c1 ZINC000029128780 562001123 /nfs/dbraw/zinc/00/11/23/562001123.db2.gz QZIUWBOXWNXLDR-RRGQHJHPSA-N 1 0 589.724 4.021 1 0 KIAFRO OC1CC[NH+](CCOc2n[nH]c3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)CC1 ZINC000029129001 562001564 /nfs/dbraw/zinc/00/15/64/562001564.db2.gz ZXQYLBWEILBYIE-UHFFFAOYSA-N 1 0 512.973 4.304 1 0 KIAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CCCC[NH2+]2)c1 ZINC000029129051 562001629 /nfs/dbraw/zinc/00/16/29/562001629.db2.gz YVAHUCDZRFTLIY-KWXIBIRDSA-N 1 0 515.645 4.380 1 0 KIAFRO CN(C(=O)c1cccc(Nc2nc3nc4c(cnn42)CCCCC(=O)Nc2cccc(c2)N3)c1)C1CC[NH+](C)CC1 ZINC000029129157 562001730 /nfs/dbraw/zinc/00/17/30/562001730.db2.gz NBXKWJSFEKLBAC-UHFFFAOYSA-N 1 0 553.671 4.443 1 0 KIAFRO CC[NH+](CC)C1CN(C(=O)c2cccc(Nc3nc4nc5c(cnn53)CCCCC(=O)Nc3cccc(c3)N4)c2)C1 ZINC000029129201 562001737 /nfs/dbraw/zinc/00/17/37/562001737.db2.gz OHKSKDCPQZPOIP-UHFFFAOYSA-N 1 0 553.671 4.443 1 0 KIAFRO CCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)[C@H](CC(C)C)C1=O ZINC000029129208 562001795 /nfs/dbraw/zinc/00/17/95/562001795.db2.gz SQTISKBGLRIMMR-ISYGQMQOSA-N 1 0 585.736 4.221 1 0 KIAFRO CCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)[C@H](Cc2ccccc2)C1=O ZINC000029129209 562001811 /nfs/dbraw/zinc/00/18/11/562001811.db2.gz SQPZARAMVNZQOD-GIUJWDCDSA-N 1 0 619.753 4.418 1 0 KIAFRO CN(C(=O)c1cccc(Nc2nc3nc4c(cnn42)CCCCC(=O)Nc2cccc(c2)N3)c1)[C@@H]1CC[N@H+](C)C1 ZINC000029129254 562001824 /nfs/dbraw/zinc/00/18/24/562001824.db2.gz LPKFYWMBFSGSHI-XMMPIXPASA-N 1 0 539.644 4.053 1 0 KIAFRO CN(C(=O)c1cccc(Nc2nc3nc4c(cnn42)CCCCC(=O)Nc2cccc(c2)N3)c1)[C@H]1CC[N@H+](C)C1 ZINC000029129256 562001804 /nfs/dbraw/zinc/00/18/04/562001804.db2.gz LPKFYWMBFSGSHI-DEOSSOPVSA-N 1 0 539.644 4.053 1 0 KIAFRO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(Nc3nc4nc5c(cnn53)CCCCC(=O)Nc3cccc(c3)N4)c2)C1 ZINC000029129415 562001892 /nfs/dbraw/zinc/00/18/92/562001892.db2.gz CUPFQSMADNCPMD-XMMPIXPASA-N 1 0 539.644 4.053 1 0 KIAFRO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(Nc3nc4nc5c(cnn53)CCCCC(=O)Nc3cccc(c3)N4)c2)C1 ZINC000029129417 562001888 /nfs/dbraw/zinc/00/18/88/562001888.db2.gz CUPFQSMADNCPMD-DEOSSOPVSA-N 1 0 539.644 4.053 1 0 KIAFRO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)[C@H]1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000029129534 562001868 /nfs/dbraw/zinc/00/18/68/562001868.db2.gz GVKAPLGJCSIXNQ-XVLIYFGKSA-N 1 0 631.642 4.368 1 0 KIAFRO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000029129614 562001913 /nfs/dbraw/zinc/00/19/13/562001913.db2.gz LHJBSUUDUWKCBX-XVLIYFGKSA-N 1 0 598.090 4.002 1 0 KIAFRO C[C@H](C[C@@H](O)[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-n2cccn2)cc(-n2cccn2)c1 ZINC000029129667 562002050 /nfs/dbraw/zinc/00/20/50/562002050.db2.gz MRKMZVYMRPCVIP-ZLIGTFTASA-N 1 0 531.636 4.370 1 0 KIAFRO CC(C)c1cc(NC(=O)N[C@H](C)C[C@@H](O)[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1 ZINC000029129671 562002039 /nfs/dbraw/zinc/00/20/39/562002039.db2.gz VCIAJXLBWJRPBT-BNIKKZEQSA-N 1 0 523.657 4.313 1 0 KIAFRO CCCC(CCC)N1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)CC1=O ZINC000029129866 562002156 /nfs/dbraw/zinc/00/21/56/562002156.db2.gz OKPGXAGXHSHEHL-XVLIYFGKSA-N 1 0 571.709 4.118 1 0 KIAFRO CCc1cc(NC(=O)N[C@H](C)C[C@@H](N(C)C)[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1 ZINC000029129992 562002294 /nfs/dbraw/zinc/00/22/94/562002294.db2.gz FGWVPTQNIIZCGL-CGHRXAFASA-N 1 0 536.700 4.321 1 0 KIAFRO CC(C)C[C@H](C[C@@H](O)[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000029130079 562002272 /nfs/dbraw/zinc/00/22/72/562002272.db2.gz LVNMVTRHDJLKCU-RMUDUWAUSA-N 1 0 523.657 4.216 1 0 KIAFRO CC[C@H](CC[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-c2nnnn2C)cc(C(C)(C)O)c1 ZINC000029130149 562002240 /nfs/dbraw/zinc/00/22/40/562002240.db2.gz NQAYKLXCSBWKMD-SQJMNOBHSA-N 1 0 537.684 4.489 1 0 KIAFRO CC(=O)c1cc(NC(=O)N[C@H](C)CC[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1 ZINC000029130207 562002388 /nfs/dbraw/zinc/00/23/88/562002388.db2.gz NXSAJAWQRXMZIP-NQIIRXRSSA-N 1 0 507.614 4.074 1 0 KIAFRO C[NH+](C)Cc1ccnn1-c1ccc(N2CC[C@@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 ZINC000029130319 562002572 /nfs/dbraw/zinc/00/25/72/562002572.db2.gz BQHWDQRBFAWESG-HXUWFJFHSA-N 1 0 548.065 4.025 1 0 KIAFRO C[NH+](C)Cc1ccnn1-c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 ZINC000029130322 562002510 /nfs/dbraw/zinc/00/25/10/562002510.db2.gz BQHWDQRBFAWESG-FQEVSTJZSA-N 1 0 548.065 4.025 1 0 KIAFRO CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccc(C)cc3[C@@H](NC(=O)CC[NH+](C)C)C(C)C)CC2)C1 ZINC000029131292 562002995 /nfs/dbraw/zinc/00/29/95/562002995.db2.gz LXQPRPPIKVZVOG-LBRLCBGXSA-N 1 0 596.216 4.324 1 0 KIAFRO CCOC(=O)CN(CCCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)C1CCN(c2cc[nH+]cc2)CC1 ZINC000029132328 562003279 /nfs/dbraw/zinc/00/32/79/562003279.db2.gz VNVWFBNAYNGLRG-UHFFFAOYSA-N 1 0 558.100 4.360 1 0 KIAFRO CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4CC3CC3)[C@H]2O6)cc1 ZINC000029132706 562003445 /nfs/dbraw/zinc/00/34/45/562003445.db2.gz RGKLBBLQXCRDJL-HKJMSVEDSA-N 1 0 561.679 4.102 1 0 KIAFRO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1ccc(Cl)c(Cl)c1 ZINC000029133714 562003670 /nfs/dbraw/zinc/00/36/70/562003670.db2.gz QEKJEYIXQCJHHA-XGTKUTNFSA-N 1 0 515.437 4.062 1 0 KIAFRO Cc1cccc(NCc2ccc3nc(NC4CC[NH+](CCO)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134293 562004104 /nfs/dbraw/zinc/00/41/04/562004104.db2.gz NOJNULSFUCPSJN-UHFFFAOYSA-N 1 0 500.647 4.283 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]Cc3ccc(F)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029203300 562004791 /nfs/dbraw/zinc/00/47/91/562004791.db2.gz KPTPAZOGVODZMU-QNMIOERPSA-N 1 0 507.514 4.043 1 0 KIAFRO O[C@@H]1CCC[N@H+](CCCNc2nc(Nc3ccc(I)cc3)nc3ccccc32)C1 ZINC000029204054 562004923 /nfs/dbraw/zinc/00/49/23/562004923.db2.gz LBAZJOXDPFSODG-GOSISDBHSA-N 1 0 503.388 4.237 1 0 KIAFRO O[C@H]1CCC[N@H+](CCCNc2nc(Nc3ccc(I)cc3)nc3ccccc32)C1 ZINC000029204059 562004906 /nfs/dbraw/zinc/00/49/06/562004906.db2.gz LBAZJOXDPFSODG-SFHVURJKSA-N 1 0 503.388 4.237 1 0 KIAFRO Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC(=O)N32)cc1 ZINC000029217153 562006708 /nfs/dbraw/zinc/00/67/08/562006708.db2.gz JUIQWFAFVNBCAY-HVOSOHGQSA-N 1 0 504.634 4.436 1 0 KIAFRO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC(=O)N32)cc1 ZINC000029217938 562006848 /nfs/dbraw/zinc/00/68/48/562006848.db2.gz IXQVSPJASYAWGA-MRLTYDNFSA-N 1 0 520.633 4.136 1 0 KIAFRO CCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1 ZINC000029219844 562007075 /nfs/dbraw/zinc/00/70/75/562007075.db2.gz IVBYDRMQIHYTLX-VWLOTQADSA-N 1 0 521.643 4.141 1 0 KIAFRO O=C1CN(C2CC[NH+](Cc3ccccc3)CC2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000029220473 562007108 /nfs/dbraw/zinc/00/71/08/562007108.db2.gz KCMQSFXGEVNMCA-WXGMZPBLSA-N 1 0 548.643 4.246 1 0 KIAFRO COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC(=O)N32)c1 ZINC000029220828 562007175 /nfs/dbraw/zinc/00/71/75/562007175.db2.gz OPZLETNOMBODDJ-MRLTYDNFSA-N 1 0 520.633 4.136 1 0 KIAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCOC3CCCC3)n2)cc1 ZINC000029221117 562007183 /nfs/dbraw/zinc/00/71/83/562007183.db2.gz CWSRMSBFXAGITP-NDEPHWFRSA-N 1 0 577.707 4.300 1 0 KIAFRO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC(=O)N32)cc1OC ZINC000029222473 562007498 /nfs/dbraw/zinc/00/74/98/562007498.db2.gz HNZPKXUYPCLKGI-YYKZIPJASA-N 1 0 550.659 4.145 1 0 KIAFRO O=[S@@]1CC2(CC[NH+](C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3c3ccccc3)CC2)c2ccccc21 ZINC000029222703 562007525 /nfs/dbraw/zinc/00/75/25/562007525.db2.gz IUMHTNIGQVOIEZ-QDTFDWCTSA-N 1 0 520.720 4.246 1 0 KIAFRO O=[S@]1CC2(CC[NH+](C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3c3ccccc3)CC2)c2ccccc21 ZINC000029222708 562007503 /nfs/dbraw/zinc/00/75/03/562007503.db2.gz IUMHTNIGQVOIEZ-TZFMQXEKSA-N 1 0 520.720 4.246 1 0 KIAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc([C@@H](O)c3ccc(F)cc3)n2)cc1 ZINC000029222945 562007509 /nfs/dbraw/zinc/00/75/09/562007509.db2.gz UNFGUHFOGPBSBD-NSOVKSMOSA-N 1 0 589.649 4.019 1 0 KIAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc([C@H](O)c3ccc(F)cc3)n2)cc1 ZINC000029222951 562007519 /nfs/dbraw/zinc/00/75/19/562007519.db2.gz UNFGUHFOGPBSBD-WUFINQPMSA-N 1 0 589.649 4.019 1 0 KIAFRO COc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CC[NH2+]C[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 ZINC000029223399 562007618 /nfs/dbraw/zinc/00/76/18/562007618.db2.gz ALVGVJBOROIAIW-LJAQVGFWSA-N 1 0 601.685 4.386 1 0 KIAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccccc3O)n2)cc1 ZINC000029223867 562007749 /nfs/dbraw/zinc/00/77/49/562007749.db2.gz PYCIBYBKAOWFLX-MHZLTWQESA-N 1 0 587.658 4.083 1 0 KIAFRO COC(=O)N[C@H](c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1)c1ccc(F)cc1 ZINC000029223994 562007711 /nfs/dbraw/zinc/00/77/11/562007711.db2.gz AYNAFGSPQRKZFM-VMPREFPWSA-N 1 0 646.701 4.383 1 0 KIAFRO COC(=O)N[C@@H](c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1)c1ccc(F)cc1 ZINC000029223999 562007745 /nfs/dbraw/zinc/00/77/45/562007745.db2.gz AYNAFGSPQRKZFM-URLMMPGGSA-N 1 0 646.701 4.383 1 0 KIAFRO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC(=O)N32)cc1C ZINC000029224177 562007739 /nfs/dbraw/zinc/00/77/39/562007739.db2.gz YCSWCNCACZJGIZ-DHWOFANNSA-N 1 0 534.660 4.444 1 0 KIAFRO O=C(c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1)c1ccc(F)cc1 ZINC000029225086 562007987 /nfs/dbraw/zinc/00/79/87/562007987.db2.gz ZBALLCANCTYRPS-MHZLTWQESA-N 1 0 587.633 4.168 1 0 KIAFRO CC(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CC[NH2+]C[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 ZINC000029225092 562007968 /nfs/dbraw/zinc/00/79/68/562007968.db2.gz WKSZXHSWFMNTGZ-PMERELPUSA-N 1 0 612.712 4.347 1 0 KIAFRO COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CC[NH+](C)CC2)cc1 ZINC000029225105 562007976 /nfs/dbraw/zinc/00/79/76/562007976.db2.gz LWVIQLICDZHOEY-ACHIHNKUSA-N 1 0 608.179 4.229 1 0 KIAFRO CC(=O)Nc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CC[NH2+]C[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 ZINC000029225165 562007985 /nfs/dbraw/zinc/00/79/85/562007985.db2.gz WCKPXXMHDULKBS-PMERELPUSA-N 1 0 628.711 4.336 1 0 KIAFRO CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)[C@@H](N)CCCC[NH3+])c1=O ZINC000029225836 562008116 /nfs/dbraw/zinc/00/81/16/562008116.db2.gz FFIDGEBJANARRW-NRFANRHFSA-N 1 0 531.440 4.086 1 0 KIAFRO CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)[C@H](N)CCCC[NH3+])c1=O ZINC000029225842 562008096 /nfs/dbraw/zinc/00/80/96/562008096.db2.gz FFIDGEBJANARRW-OAQYLSRUSA-N 1 0 531.440 4.086 1 0 KIAFRO O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000029245532 562010688 /nfs/dbraw/zinc/01/06/88/562010688.db2.gz GTQXYQJYPGXPCJ-UHFFFAOYSA-N 1 0 503.217 4.289 1 0 KIAFRO COc1ccc(SCCC[N@H+](C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000029252753 562011406 /nfs/dbraw/zinc/01/14/06/562011406.db2.gz SNKZNQFOYLYWQC-UHFFFAOYSA-N 1 0 502.677 4.153 1 0 KIAFRO [NH3+]Cc1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)Cc2cccc(C(=O)OCc3ccccc3)c2)cc1 ZINC000029253340 562011321 /nfs/dbraw/zinc/01/13/21/562011321.db2.gz PYVTVDREUIKJKO-CDZUIXILSA-N 1 0 576.649 4.385 1 0 KIAFRO C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1Br)c1cccc(C(N)=[NH2+])c1 ZINC000029311948 562012037 /nfs/dbraw/zinc/01/20/37/562012037.db2.gz ZYEGYALIAWTIJE-FYJGNVAPSA-N 1 0 531.407 4.387 1 0 KIAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 ZINC000029341935 562015349 /nfs/dbraw/zinc/01/53/49/562015349.db2.gz GUAYHTLGOSYHNP-NXCFDTQHSA-N 1 0 518.061 4.024 1 0 KIAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 ZINC000029341938 562015352 /nfs/dbraw/zinc/01/53/52/562015352.db2.gz GUAYHTLGOSYHNP-GSDHBNRESA-N 1 0 518.061 4.024 1 0 KIAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 ZINC000029341991 562015357 /nfs/dbraw/zinc/01/53/57/562015357.db2.gz WORZCGUOSQUYJC-GDLZYMKVSA-N 1 0 533.676 4.085 1 0 KIAFRO NC(=[NH2+])NCCC[C@H](NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 ZINC000029341994 562015446 /nfs/dbraw/zinc/01/54/46/562015446.db2.gz WORZCGUOSQUYJC-LJAQVGFWSA-N 1 0 533.676 4.085 1 0 KIAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@](O)(CO)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029342313 562015515 /nfs/dbraw/zinc/01/55/15/562015515.db2.gz ARDCKWVEEJWENX-IONGPAKJSA-N 1 0 716.968 4.478 1 0 KIAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@](O)(CO)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029342317 562015509 /nfs/dbraw/zinc/01/55/09/562015509.db2.gz ARDCKWVEEJWENX-ONDSPDDRSA-N 1 0 716.968 4.478 1 0 KIAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc2C1 ZINC000029342989 562015736 /nfs/dbraw/zinc/01/57/36/562015736.db2.gz QGHLEPZBTTVHGJ-SXOMAYOGSA-N 1 0 532.088 4.195 1 0 KIAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc2C1 ZINC000029342993 562015753 /nfs/dbraw/zinc/01/57/53/562015753.db2.gz QGHLEPZBTTVHGJ-SVBPBHIXSA-N 1 0 532.088 4.195 1 0 KIAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@](O)(CO)C[N@@H+](CC(=O)NC(C)(C)C)CC1CCCCC1)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029344738 562016029 /nfs/dbraw/zinc/01/60/29/562016029.db2.gz NXFHVWKUZJNVKW-UQOSACDVSA-N 1 0 704.957 4.479 1 0 KIAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@](O)(CO)C[N@@H+](CC(=O)NC(C)(C)C)CC1CCCCC1)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029344741 562015981 /nfs/dbraw/zinc/01/59/81/562015981.db2.gz NXFHVWKUZJNVKW-HHYDMREKSA-N 1 0 704.957 4.479 1 0 KIAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)OC ZINC000029345905 562016237 /nfs/dbraw/zinc/01/62/37/562016237.db2.gz MULIVNLWGBITIW-XYNPHDJOSA-N 1 0 571.803 4.096 1 0 KIAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)OC ZINC000029345909 562016250 /nfs/dbraw/zinc/01/62/50/562016250.db2.gz MULIVNLWGBITIW-LQTCKBPESA-N 1 0 571.803 4.096 1 0 KIAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 ZINC000029347188 562016479 /nfs/dbraw/zinc/01/64/79/562016479.db2.gz XEZWZNACKGHWSC-HSZRJFAPSA-N 1 0 526.468 4.190 1 0 KIAFRO NC(=[NH2+])NCCC[C@H](NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 ZINC000029347192 562016490 /nfs/dbraw/zinc/01/64/90/562016490.db2.gz XEZWZNACKGHWSC-QHCPKHFHSA-N 1 0 526.468 4.190 1 0 KIAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029348402 562016571 /nfs/dbraw/zinc/01/65/71/562016571.db2.gz TZZRRBGCPAKVFR-YHSLUOHBSA-N 1 0 632.850 4.089 1 0 KIAFRO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029348406 562016696 /nfs/dbraw/zinc/01/66/96/562016696.db2.gz TZZRRBGCPAKVFR-KDYACMPRSA-N 1 0 632.850 4.089 1 0 KIAFRO C[NH+](C)CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc32)S[C@@H]1c1ccc(Cl)cc1Cl ZINC000029388649 562016914 /nfs/dbraw/zinc/01/69/14/562016914.db2.gz BKRWVQBKJVTPBW-UFHPHHKVSA-N 1 0 573.546 4.474 1 0 KIAFRO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)N2CC[NH2+]CC2)C1=O)NCc1cccc2ccccc21 ZINC000029388764 562016908 /nfs/dbraw/zinc/01/69/08/562016908.db2.gz NOORLGCNDIJJCO-UFHPHHKVSA-N 1 0 571.530 4.228 1 0 KIAFRO COc1cccc2c1CC[C@H]1C[N@H+](CCn3c(=O)[nH]c4c5ncc(-c6ccccc6)nc5sc4c3=O)C[C@@H]21 ZINC000029390439 562017168 /nfs/dbraw/zinc/01/71/68/562017168.db2.gz SOGCXTGAWYRHQU-GHTZIAJQSA-N 1 0 525.634 4.444 1 0 KIAFRO COc1cccc2c1CC[C@H]1C[N@H+](CCn3c(=O)[nH]c4c5nc(-c6ccccc6)cnc5sc4c3=O)C[C@@H]21 ZINC000029390442 562017302 /nfs/dbraw/zinc/01/73/02/562017302.db2.gz QQGYNGUUZMLKBV-GHTZIAJQSA-N 1 0 525.634 4.444 1 0 KIAFRO [NH3+]CCNC(=O)CCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc32)S[C@@H]1c1ccc(Cl)cc1Cl ZINC000029391884 562017513 /nfs/dbraw/zinc/01/75/13/562017513.db2.gz JIWAAWYXMISOFH-YIXXDRMTSA-N 1 0 559.519 4.261 1 0 KIAFRO Cn1nnnc1-c1cc(Br)cc(NC(=O)NCCC[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000029392844 562017752 /nfs/dbraw/zinc/01/77/52/562017752.db2.gz SIYOVEYXDHCEIT-SFHVURJKSA-N 1 0 530.446 4.245 1 0 KIAFRO CC(=O)Nc1ccc(Oc2cccc(C(N)=[NH2+])c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000029399003 562019315 /nfs/dbraw/zinc/01/93/15/562019315.db2.gz HPELHESPFSJISY-UHFFFAOYSA-N 1 0 543.605 4.288 1 0 KIAFRO CN(C)c1ccc(Oc2cccc(C(N)=[NH2+])c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000029399338 562019364 /nfs/dbraw/zinc/01/93/64/562019364.db2.gz ZEEQXRHRYPVRTN-UHFFFAOYSA-N 1 0 529.622 4.396 1 0 KIAFRO CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCCCC(N)=[NH2+])C(=O)N(COC(C)=O)[C@H]2C3)c1 ZINC000029401793 562019854 /nfs/dbraw/zinc/01/98/54/562019854.db2.gz GKIHXHVLEWLVGT-XDIPAPSNSA-N 1 0 518.658 4.319 1 0 KIAFRO Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cc3ccccc3cc2C(N)=[NH2+])n1 ZINC000029402290 562019889 /nfs/dbraw/zinc/01/98/89/562019889.db2.gz GUWFAJQPFPUOJL-UHFFFAOYSA-N 1 0 524.606 4.185 1 0 KIAFRO CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCCCC(N)=[NH2+])C(=O)N(C(=O)N(C)C)[C@H]2C3)c1 ZINC000029402596 562019989 /nfs/dbraw/zinc/01/99/89/562019989.db2.gz DUMSRSLPMAIPHR-NIYJGHKDSA-N 1 0 517.674 4.480 1 0 KIAFRO Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cc3ccccc3cc2C2=[NH+]CCN2)n1 ZINC000029402705 562019973 /nfs/dbraw/zinc/01/99/73/562019973.db2.gz XBHPJHHKIRTIQX-UHFFFAOYSA-N 1 0 550.644 4.250 1 0 KIAFRO NC(=[NH2+])c1cccc(OCCN(Cc2ccccc2)C(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000029402773 562020000 /nfs/dbraw/zinc/02/00/00/562020000.db2.gz CDXZZIBSGMZPGY-UHFFFAOYSA-N 1 0 528.634 4.006 1 0 KIAFRO NC(=[NH2+])NCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000029403551 562020279 /nfs/dbraw/zinc/02/02/79/562020279.db2.gz AWNNIIMNTPSXSF-UHFFFAOYSA-N 1 0 565.509 4.118 1 0 KIAFRO CCOC(=O)NCc1cccc(-c2ccc(C(=O)N[C@H](C)[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)OC)cc2)c1 ZINC000029404044 562020257 /nfs/dbraw/zinc/02/02/57/562020257.db2.gz HWDFQBTYYIFXJG-NIYFSFCBSA-N 1 0 530.625 4.034 1 0 KIAFRO CCOC(=O)C1=C(COCCN2CCC([NH+](C)C)CC2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000029404168 562020336 /nfs/dbraw/zinc/02/03/36/562020336.db2.gz ZISRRLICKQODIH-VSOXTEDDSA-N 1 0 520.070 4.174 1 0 KIAFRO CCOC(=O)C1=C(COCCN2CCC([NH+](C)C)CC2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000029404171 562020341 /nfs/dbraw/zinc/02/03/41/562020341.db2.gz ZISRRLICKQODIH-IWEPOMFFSA-N 1 0 520.070 4.174 1 0 KIAFRO C[NH+]1CCN(CCOc2ccc(C[C@H](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc2)CC1 ZINC000029405091 562020548 /nfs/dbraw/zinc/02/05/48/562020548.db2.gz XJMAXQMSDUBZFJ-SZNOJMITSA-N 1 0 686.894 4.133 1 0 KIAFRO C[NH+]1CCN(CCOc2ccc(C[C@H](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)cc2)CC1 ZINC000029405094 562020568 /nfs/dbraw/zinc/02/05/68/562020568.db2.gz XJMAXQMSDUBZFJ-LMRQRCQZSA-N 1 0 686.894 4.133 1 0 KIAFRO COC(=O)c1ccc(Oc2cccc(C(N)=[NH2+])c2)c(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000029407822 562021047 /nfs/dbraw/zinc/02/10/47/562021047.db2.gz WDWINFCNLACNAP-UHFFFAOYSA-N 1 0 544.589 4.116 1 0 KIAFRO CN(C)c1ccc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(Oc2cccc(C(N)=[NH2+])c2)c1 ZINC000029407903 562021080 /nfs/dbraw/zinc/02/10/80/562021080.db2.gz SGDFANYHFWCXKR-UHFFFAOYSA-N 1 0 529.622 4.396 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)Cc3ccccn3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029408354 562021228 /nfs/dbraw/zinc/02/12/28/562021228.db2.gz MFVGDCLUAMQMFZ-HIYJGCFHSA-N 1 0 532.593 4.074 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)Cc3ccccn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029408357 562021266 /nfs/dbraw/zinc/02/12/66/562021266.db2.gz MFVGDCLUAMQMFZ-PFFNZIMVSA-N 1 0 532.593 4.074 1 0 KIAFRO CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(Oc2cccc(C(N)=[NH2+])c2)c1 ZINC000029408925 562021327 /nfs/dbraw/zinc/02/13/27/562021327.db2.gz ZDKALETWIJKRDC-UHFFFAOYSA-N 1 0 543.605 4.288 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC(=O)N3CCC([NH+]5CCCCC5)CC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029409203 562021331 /nfs/dbraw/zinc/02/13/31/562021331.db2.gz IZVZSLVMEDZPMA-JETAISCFSA-N 1 0 592.689 4.023 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC(=O)N3CCC([NH+]5CCCCC5)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029409206 562021342 /nfs/dbraw/zinc/02/13/42/562021342.db2.gz IZVZSLVMEDZPMA-TUJQOPQUSA-N 1 0 592.689 4.023 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)Cc3ccncc3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029410789 562021730 /nfs/dbraw/zinc/02/17/30/562021730.db2.gz AHJOGOXESOREDZ-HIYJGCFHSA-N 1 0 532.593 4.074 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)Cc3ccncc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029410792 562021708 /nfs/dbraw/zinc/02/17/08/562021708.db2.gz AHJOGOXESOREDZ-PFFNZIMVSA-N 1 0 532.593 4.074 1 0 KIAFRO CCCNC(=O)NCc1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)C(C)(C)[NH3+])C2=O)cc1 ZINC000029410993 562021690 /nfs/dbraw/zinc/02/16/90/562021690.db2.gz POVMIGNXYFZTSK-HHHXNRCGSA-N 1 0 541.696 4.264 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000029411725 562021946 /nfs/dbraw/zinc/02/19/46/562021946.db2.gz FWHUXDWFPLQMPT-UHFFFAOYSA-N 1 0 597.160 4.233 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN3CCC([NH+]5CCCCC5)CC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029412183 562021912 /nfs/dbraw/zinc/02/19/12/562021912.db2.gz OVENJMWSDFPGOZ-IYELWZHHSA-N 1 0 578.706 4.497 1 0 KIAFRO C[NH+](C)CCOc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000029412291 562022061 /nfs/dbraw/zinc/02/20/61/562022061.db2.gz QVYOSIVVMRNXJG-ZVGDERKOSA-N 1 0 631.814 4.447 1 0 KIAFRO C[NH+](C)CCOc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000029412294 562022073 /nfs/dbraw/zinc/02/20/73/562022073.db2.gz QVYOSIVVMRNXJG-DDAJPSLKSA-N 1 0 631.814 4.447 1 0 KIAFRO COCC[NH+](CCOC)CCOc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000029412821 562022192 /nfs/dbraw/zinc/02/21/92/562022192.db2.gz OFDNMZCEWPWCDP-MKWZCKROSA-N 1 0 719.920 4.480 1 0 KIAFRO COCC[NH+](CCOC)CCOc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000029412824 562022138 /nfs/dbraw/zinc/02/21/38/562022138.db2.gz OFDNMZCEWPWCDP-SZLYRESMSA-N 1 0 719.920 4.480 1 0 KIAFRO CC(C)([NH3+])C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NC3CC3)cc2)C1=O ZINC000029415753 562022899 /nfs/dbraw/zinc/02/28/99/562022899.db2.gz XKQZNMMYEVVWDM-HHHXNRCGSA-N 1 0 539.680 4.017 1 0 KIAFRO CC(C)NC(=O)NCc1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)C(C)(C)[NH3+])C2=O)cc1 ZINC000029415757 562022884 /nfs/dbraw/zinc/02/28/84/562022884.db2.gz BMYPJFOOBWAMPB-HHHXNRCGSA-N 1 0 541.696 4.263 1 0 KIAFRO CC(=O)NCC(=O)N(CCCCCO)C1(C(=O)NC=Cc2c[nH]c3cc(OCc4ccccc4)ncc23)CC[NH+](Cc2ccccc2)CC1 ZINC000029415765 562022831 /nfs/dbraw/zinc/02/28/31/562022831.db2.gz KESAGKAPFYOAER-SDXDJHTJSA-N 1 0 666.823 4.391 1 0 KIAFRO CCOC(=O)C1=C(COCCN2CC[NH+](C(C)C)CC2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000029463325 562023535 /nfs/dbraw/zinc/02/35/35/562023535.db2.gz DOTHPWWPWWBFSR-VSOXTEDDSA-N 1 0 520.070 4.174 1 0 KIAFRO CCOC(=O)C1=C(COCCN2CC[NH+](C(C)C)CC2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000029463329 562023523 /nfs/dbraw/zinc/02/35/23/562023523.db2.gz DOTHPWWPWWBFSR-IWEPOMFFSA-N 1 0 520.070 4.174 1 0 KIAFRO CO[C@H](C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029468327 562024959 /nfs/dbraw/zinc/02/49/59/562024959.db2.gz QHLNTHMVEHVGIV-GWMMUDDPSA-N 1 0 557.732 4.224 1 0 KIAFRO O=C(COc1ccc(OCC[NH2+]C[C@H](O)COc2ccccc2)cc1)NCc1ccc(Cl)cc1Cl ZINC000029473532 562025974 /nfs/dbraw/zinc/02/59/74/562025974.db2.gz ZOXZLEQKQSDIQB-NRFANRHFSA-N 1 0 519.425 4.097 1 0 KIAFRO O=C(COc1ccc(OCC[NH2+]C[C@@H](O)COc2ccccc2)cc1)NCc1ccc(Cl)cc1Cl ZINC000029473536 562025891 /nfs/dbraw/zinc/02/58/91/562025891.db2.gz ZOXZLEQKQSDIQB-OAQYLSRUSA-N 1 0 519.425 4.097 1 0 KIAFRO NC(=[NH2+])c1ccc2[nH]c(-c3cc(Cc4nn[nH]n4)cc(Br)c3O)c(Cc3ccccc3)c2c1 ZINC000029479752 562027041 /nfs/dbraw/zinc/02/70/41/562027041.db2.gz AKKWRLYFNUWVJB-UHFFFAOYSA-N 1 0 502.376 4.282 1 0 KIAFRO Cc1ccccc1C(=O)N1CCC([NH+]2CCC(C3(c4ccc(C(=O)NC(C)C)cc4)OCCO3)CC2)CC1 ZINC000029480298 562027095 /nfs/dbraw/zinc/02/70/95/562027095.db2.gz HWECSPHMAXXBFE-UHFFFAOYSA-N 1 0 519.686 4.350 1 0 KIAFRO CC(C)CC[N@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(C)CC1 ZINC000029480907 562027308 /nfs/dbraw/zinc/02/73/08/562027308.db2.gz KRDFQZRYJYVLNB-CONSDPRKSA-N 1 0 550.788 4.460 1 0 KIAFRO CCOC(=O)c1ccccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CCCc1ccccc1)NC(=O)C(C)(C)[NH3+] ZINC000029482950 562027712 /nfs/dbraw/zinc/02/77/12/562027712.db2.gz XIEIQYBMWYWIGW-SGLZHPSQSA-N 1 0 519.686 4.345 1 0 KIAFRO COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCCC[NH3+])C(=O)COC(=O)c2c(C)cc(C)cc2C)cc1 ZINC000029485637 562028266 /nfs/dbraw/zinc/02/82/66/562028266.db2.gz VCTQLGPUIKPYKE-KYJUHHDHSA-N 1 0 617.743 4.498 1 0 KIAFRO Cc1cccc(C[NH2+][C@@H](COCc2ccccc2)C(=O)N2CCC3(CN(S(C)(=O)=O)c4ccccc43)CC2)c1 ZINC000029487210 562028602 /nfs/dbraw/zinc/02/86/02/562028602.db2.gz XQGMOTVYEJXTQB-NDEPHWFRSA-N 1 0 547.721 4.010 1 0 KIAFRO Cc1cccc(C[NH2+][C@H](COCc2ccccc2)C(=O)N2CCC3(CN(S(C)(=O)=O)c4ccccc43)CC2)c1 ZINC000029487214 562028618 /nfs/dbraw/zinc/02/86/18/562028618.db2.gz XQGMOTVYEJXTQB-MUUNZHRXSA-N 1 0 547.721 4.010 1 0 KIAFRO CO[C@@H]1[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(C)(C)C)cc2)CC[C@@]1(C)CC[NH+]1CCOCC1 ZINC000029487246 562028569 /nfs/dbraw/zinc/02/85/69/562028569.db2.gz FINLDGWGCKVRQS-CPLCVFOXSA-N 1 0 500.684 4.304 1 0 KIAFRO CO[C@H]1[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(C)(C)C)cc2)CC[C@@]1(C)CC[NH+]1CCOCC1 ZINC000029487249 562028563 /nfs/dbraw/zinc/02/85/63/562028563.db2.gz FINLDGWGCKVRQS-FKPYENBGSA-N 1 0 500.684 4.304 1 0 KIAFRO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3cccc(Cl)c3)[NH2+]Cc3ccccc3)CC2)c2ccccc21 ZINC000029489781 562029179 /nfs/dbraw/zinc/02/91/79/562029179.db2.gz IVOCPWQPMWNGPI-MHZLTWQESA-N 1 0 568.139 4.355 1 0 KIAFRO C[NH+](C)CCCc1c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)NCc4ccc(F)cc4)cc32)[nH]c2c1CCCC2 ZINC000029546157 562029842 /nfs/dbraw/zinc/02/98/42/562029842.db2.gz AHWTXJIUIBWLRC-UQQQWYQISA-N 1 0 536.673 4.498 1 0 KIAFRO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3Cl)[NH2+]Cc3ccccc3)CC2)c2ccccc21 ZINC000029547746 562030342 /nfs/dbraw/zinc/03/03/42/562030342.db2.gz GOEKTEPHELFSRR-MHZLTWQESA-N 1 0 568.139 4.355 1 0 KIAFRO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccc(Cl)cc3)[NH2+]Cc3ccccc3)CC2)c2ccccc21 ZINC000029547884 562030327 /nfs/dbraw/zinc/03/03/27/562030327.db2.gz WCLCDHLNMRQGSM-MHZLTWQESA-N 1 0 568.139 4.355 1 0 KIAFRO CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000029548806 562030514 /nfs/dbraw/zinc/03/05/14/562030514.db2.gz BFLYSOCQKSZVHK-NDEPHWFRSA-N 1 0 553.729 4.474 1 0 KIAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](Cc3cc4ccccc4s3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029556559 562032216 /nfs/dbraw/zinc/03/22/16/562032216.db2.gz YKFONWPAYRGADG-AHXSUKCRSA-N 1 0 698.952 4.212 1 0 KIAFRO COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCC(c4ccccn4)CC3)C2)C(=O)N1 ZINC000029556611 562032230 /nfs/dbraw/zinc/03/22/30/562032230.db2.gz FPRCXYVVQHMAFI-GNMOFYLKSA-N 1 0 583.636 4.010 1 0 KIAFRO COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@H]([NH+]3CCC(c4ccccn4)CC3)C2)C(=O)N1 ZINC000029556692 562032208 /nfs/dbraw/zinc/03/22/08/562032208.db2.gz FPRCXYVVQHMAFI-IZVMNLJQSA-N 1 0 583.636 4.010 1 0 KIAFRO CC(C)COCCOC(=O)C1(C(=O)OCCOCC(C)C)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029557507 562032431 /nfs/dbraw/zinc/03/24/31/562032431.db2.gz ZXUYCGHRHVCOMQ-KCWPFWIISA-N 1 0 622.155 4.493 1 0 KIAFRO COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@H]2CC[C@@H]([NH+]3CCC(c4ccccn4)CC3)C2)C(=O)N1 ZINC000029559454 562032811 /nfs/dbraw/zinc/03/28/11/562032811.db2.gz FPRCXYVVQHMAFI-ISCCLHIJSA-N 1 0 583.636 4.010 1 0 KIAFRO CC(=O)NCCCCCNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000029560716 562033062 /nfs/dbraw/zinc/03/30/62/562033062.db2.gz IRVUMVQIOWLELL-OKKICTCASA-N 1 0 641.857 4.385 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OC[C@@H]1CCCCO1)(C(=O)OC[C@@H]1CCCCO1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029561059 562033207 /nfs/dbraw/zinc/03/32/07/562033207.db2.gz HOBFKAMPPUNREC-FBZFJNBBSA-N 1 0 618.123 4.286 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OC[C@H]1CCCCO1)(C(=O)OC[C@H]1CCCCO1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029561070 562033194 /nfs/dbraw/zinc/03/31/94/562033194.db2.gz HOBFKAMPPUNREC-YFVWJHKLSA-N 1 0 618.123 4.286 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCOC(=O)C(C)(C)C)(C(=O)OCOC(=O)C(C)(C)C)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029561925 562033489 /nfs/dbraw/zinc/03/34/89/562033489.db2.gz BHRFUBDYFWJCEF-XXBNENTESA-N 1 0 650.121 4.242 1 0 KIAFRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000029563101 562033710 /nfs/dbraw/zinc/03/37/10/562033710.db2.gz IIKQMMXJROTBPV-DCFHFQCYSA-N 1 0 503.046 4.386 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCC(=O)Oc1ccccc1)(C(=O)OCC(=O)Oc1ccccc1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029563412 562033783 /nfs/dbraw/zinc/03/37/83/562033783.db2.gz VIVVSOQPHKUSQN-BTYSJIOQSA-N 1 0 690.101 4.359 1 0 KIAFRO CN(C)C(=O)CCCN(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000029564349 562034046 /nfs/dbraw/zinc/03/40/46/562034046.db2.gz JYFHDQVJOUSWEE-CJNBSOOHSA-N 1 0 641.857 4.289 1 0 KIAFRO COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)N[C@@H]2CC[C@H]([NH+]3CCC(c4ccccn4)CC3)C2)C(=O)N1 ZINC000029564579 562034062 /nfs/dbraw/zinc/03/40/62/562034062.db2.gz FPRCXYVVQHMAFI-BUEREQSYSA-N 1 0 583.636 4.010 1 0 KIAFRO NC(=O)COc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029565857 562034287 /nfs/dbraw/zinc/03/42/87/562034287.db2.gz KTZXZGKURYLMOS-UHFFFAOYSA-N 1 0 501.606 4.207 1 0 KIAFRO CC1=C(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)[C@H](c2cccc3c2OCO3)C(C(=O)OC(C)C)=C(C)N1 ZINC000031284338 562035973 /nfs/dbraw/zinc/03/59/73/562035973.db2.gz ZGRIPYHIFXGCHR-SANMLTNESA-N 1 0 524.589 4.416 1 0 in-man KIAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3nnc4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817883 562037534 /nfs/dbraw/zinc/03/75/34/562037534.db2.gz HVBRVLCGEPYEFA-SKBVVQJISA-N 1 0 505.638 4.407 1 0 KIAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc4cnccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817884 562037493 /nfs/dbraw/zinc/03/74/93/562037493.db2.gz WLPDSYHWEUFHNA-SKBVVQJISA-N 1 0 505.638 4.407 1 0 KIAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc4ncccn34)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817886 562037581 /nfs/dbraw/zinc/03/75/81/562037581.db2.gz SIQBUQVKMLJSTH-SKBVVQJISA-N 1 0 505.638 4.407 1 0 KIAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cnc4cccnn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817888 562037596 /nfs/dbraw/zinc/03/75/96/562037596.db2.gz BOGAYSMNQZYGTC-SKBVVQJISA-N 1 0 505.638 4.407 1 0 KIAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cn4ccncc4n3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817892 562037503 /nfs/dbraw/zinc/03/75/03/562037503.db2.gz PTNCFTCNBNAIGZ-VXQMPNGUSA-N 1 0 505.638 4.407 1 0 KIAFRO NS(=O)(=O)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000034289882 562038725 /nfs/dbraw/zinc/03/87/25/562038725.db2.gz IFIZNEASFIVALC-UHFFFAOYSA-N 1 0 516.610 4.029 1 0 KIAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)C ZINC000034366656 562038863 /nfs/dbraw/zinc/03/88/63/562038863.db2.gz NBZMSIJGWKARLR-DQEYMECFSA-N 1 0 536.639 4.308 1 0 KIAFRO C[C@@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)[NH+]1CCC1 ZINC000034417621 562038976 /nfs/dbraw/zinc/03/89/76/562038976.db2.gz HARCLQSEYOVONZ-HJPURHCSSA-N 1 0 502.011 4.483 1 0 KIAFRO C[C@H](c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1)[NH+]1CCC1 ZINC000034417622 562038951 /nfs/dbraw/zinc/03/89/51/562038951.db2.gz HARCLQSEYOVONZ-MWTRTKDXSA-N 1 0 502.011 4.483 1 0 KIAFRO Cc1c(Cl)ccc(S(=O)(=O)N(C)CCCCC(=O)N(C)Cc2ccc(C3=[NH+]CCN3)cc2)c1Cl ZINC000034632662 562039308 /nfs/dbraw/zinc/03/93/08/562039308.db2.gz RQDWOKKPAYLVLK-UHFFFAOYSA-N 1 0 525.502 4.101 1 0 KIAFRO COC[C@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 ZINC000034638263 562039415 /nfs/dbraw/zinc/03/94/15/562039415.db2.gz DSWXTSLXHOCGMH-RXDHMRHRSA-N 1 0 511.629 4.190 1 0 KIAFRO COC[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 ZINC000034638266 562039427 /nfs/dbraw/zinc/03/94/27/562039427.db2.gz DSWXTSLXHOCGMH-GUAAGHCTSA-N 1 0 511.629 4.190 1 0 KIAFRO CCC[C@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(F)(F)F)cn1 ZINC000034663305 562039564 /nfs/dbraw/zinc/03/95/64/562039564.db2.gz UZCHMOJAHQYHCT-PXNSSMCTSA-N 1 0 501.544 4.303 1 0 KIAFRO CC(C)C[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000034689247 562039814 /nfs/dbraw/zinc/03/98/14/562039814.db2.gz AFEHWDXGHZSXGW-GSDHBNRESA-N 1 0 703.697 4.022 1 0 KIAFRO C[C@H](NC(=O)[C@@H](CO)NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717932 562040101 /nfs/dbraw/zinc/04/01/01/562040101.db2.gz SJFIUCGXOKWMTA-XKGWUXIBSA-N 1 0 730.803 4.382 1 0 KIAFRO C[C@H](NC(=O)[C@@H](CO)NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717934 562040078 /nfs/dbraw/zinc/04/00/78/562040078.db2.gz SJFIUCGXOKWMTA-UFRGFUIXSA-N 1 0 730.803 4.382 1 0 KIAFRO Cc1cccc(C)c1C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717952 562040211 /nfs/dbraw/zinc/04/02/11/562040211.db2.gz PPTHWQPIUBBSNS-WXKJZWBCSA-N 1 0 700.733 4.240 1 0 KIAFRO Cc1cccc(C)c1C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717954 562040193 /nfs/dbraw/zinc/04/01/93/562040193.db2.gz PPTHWQPIUBBSNS-RVQNBHMFSA-N 1 0 700.733 4.240 1 0 KIAFRO COCC(=O)N(Cc1ccsc1)C1CC[NH+]([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 ZINC000034775309 562040440 /nfs/dbraw/zinc/04/04/40/562040440.db2.gz BUPUWXSDCRZSDH-GOSISDBHSA-N 1 0 507.100 4.061 1 0 KIAFRO COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CC[NH+](C(C)C)CC1 ZINC000034800026 562040779 /nfs/dbraw/zinc/04/07/79/562040779.db2.gz DFMFCXGQTUDQBA-UHFFFAOYSA-N 1 0 515.033 4.335 1 0 KIAFRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1)c1ccccc1 ZINC000034801548 562041125 /nfs/dbraw/zinc/04/11/25/562041125.db2.gz QSWLIXFWXBYMEU-MHZLTWQESA-N 1 0 561.660 4.017 1 0 KIAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000034801557 562041122 /nfs/dbraw/zinc/04/11/22/562041122.db2.gz HLCLMDDEANIVDC-IBGZPJMESA-N 1 0 511.427 4.072 1 0 KIAFRO CCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801576 562041221 /nfs/dbraw/zinc/04/12/21/562041221.db2.gz JAUXVYSQHOGGJG-SANMLTNESA-N 1 0 570.712 4.077 1 0 KIAFRO CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801577 562041241 /nfs/dbraw/zinc/04/12/41/562041241.db2.gz TYHOZFOVQHWFGL-NDEPHWFRSA-N 1 0 598.766 4.491 1 0 KIAFRO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1)NC1CCCCC1 ZINC000034801579 562041243 /nfs/dbraw/zinc/04/12/43/562041243.db2.gz HTYTXXYDXXDLGV-MHZLTWQESA-N 1 0 582.723 4.219 1 0 KIAFRO C[NH+]1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000034802106 562041716 /nfs/dbraw/zinc/04/17/16/562041716.db2.gz NPDFULBIQZLKSB-SXLOSVNLSA-N 1 0 676.780 4.239 1 0 KIAFRO O=C(CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000034802117 562041684 /nfs/dbraw/zinc/04/16/84/562041684.db2.gz AIZMFPJJDXEQKC-SXLOSVNLSA-N 1 0 676.780 4.287 1 0 KIAFRO COc1cc2c(cc1OCCC[NH+]1CCC(CO)CC1)ncnc2Nc1cc(CC(=O)Nc2cc(F)cc(F)c2)[nH]n1 ZINC000034802982 562042368 /nfs/dbraw/zinc/04/23/68/562042368.db2.gz LNXKRNKFQNYAGZ-UHFFFAOYSA-N 1 0 581.624 4.038 1 0 KIAFRO COc1cc2c(cc1OCCC[NH+]1CCC(CO)CC1)ncnc2Nc1cc(CC(=O)Nc2cccc(Cl)c2)[nH]n1 ZINC000034802986 562042337 /nfs/dbraw/zinc/04/23/37/562042337.db2.gz QYMNSOAXZVCANW-UHFFFAOYSA-N 1 0 580.089 4.413 1 0 KIAFRO CCC[N@H+](CCO)CCCOc1ccc2c(c1)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000034803009 562042327 /nfs/dbraw/zinc/04/23/27/562042327.db2.gz JZNXPJAWGWXJFX-UHFFFAOYSA-N 1 0 539.587 4.029 1 0 KIAFRO CCC[N@H+](CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC ZINC000034803040 562042452 /nfs/dbraw/zinc/04/24/52/562042452.db2.gz ARQPPPCSTGSCQR-UHFFFAOYSA-N 1 0 569.613 4.038 1 0 KIAFRO COc1cc2c(cc1OCCC[N@H+](CCO)CC(C)C)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000034803044 562042459 /nfs/dbraw/zinc/04/24/59/562042459.db2.gz GTEPNHLYGWAOMI-UHFFFAOYSA-N 1 0 583.640 4.284 1 0 KIAFRO COc1cc2c(cc1OCCC[NH+]1CCC(CCO)CC1)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000034803060 562042449 /nfs/dbraw/zinc/04/24/49/562042449.db2.gz KGXUJVJQAAUOTC-UHFFFAOYSA-N 1 0 595.651 4.428 1 0 KIAFRO COc1cc2c(cc1OCCC[NH+]1CCC(CO)CC1)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000034803081 562042441 /nfs/dbraw/zinc/04/24/41/562042441.db2.gz BSWCQIMSWHYZEB-UHFFFAOYSA-N 1 0 581.624 4.038 1 0 KIAFRO CC[C@H]([NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NCC(C)C ZINC000034803886 562042776 /nfs/dbraw/zinc/04/27/76/562042776.db2.gz OXNIXFINCUNSFG-BECIOFCFSA-N 1 0 667.848 4.194 1 0 KIAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@H](C[NH2+][C@@H](C)C(=O)NCc2ccccc2)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000034803895 562042826 /nfs/dbraw/zinc/04/28/26/562042826.db2.gz LJFISZVCRAOHJW-GJCZEXATSA-N 1 0 687.838 4.348 1 0 KIAFRO [NH3+]CCCC[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1 ZINC000034803980 562042816 /nfs/dbraw/zinc/04/28/16/562042816.db2.gz IPZMZRVZLGSWFC-VWLOTQADSA-N 1 0 618.090 4.125 1 0 KIAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccs3)cc2)n1 ZINC000034803983 562042836 /nfs/dbraw/zinc/04/28/36/562042836.db2.gz WMMQSAVOXZFUEI-VWLOTQADSA-N 1 0 575.691 4.301 1 0 KIAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCOc3ccc(F)cc3)cc2)n1 ZINC000034804022 562042908 /nfs/dbraw/zinc/04/29/08/562042908.db2.gz MLWLRPHVDMLHHG-MHZLTWQESA-N 1 0 603.651 4.215 1 0 KIAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NC3Cc4ccccc4C3)cc2)n1 ZINC000034804025 562042939 /nfs/dbraw/zinc/04/29/39/562042939.db2.gz WLLZIGJHUQLYKB-NDEPHWFRSA-N 1 0 581.673 4.164 1 0 KIAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)N3CCN(Cc4ccccc4F)CC3)cc2)n1 ZINC000034804043 562042920 /nfs/dbraw/zinc/04/29/20/562042920.db2.gz XQGVJTLGUGOPAJ-PMERELPUSA-N 1 0 642.732 4.364 1 0 KIAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3ccccc3)cc2)n1 ZINC000034804056 562042876 /nfs/dbraw/zinc/04/28/76/562042876.db2.gz ZAXACLDYKLBPPT-MHZLTWQESA-N 1 0 569.662 4.240 1 0 KIAFRO CC(C)(C)C(=O)N[C@@H](CCCC[NH3+])C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1 ZINC000034804067 562042930 /nfs/dbraw/zinc/04/29/30/562042930.db2.gz VMPGWEWOIGDNDK-QHCPKHFHSA-N 1 0 554.091 4.129 1 0 KIAFRO CC(C)CCNC(=O)c1ccc(Cc2nc(C(=O)[C@H](CCCC[NH3+])NC(=O)OCc3ccccc3)no2)cc1 ZINC000034804076 562042877 /nfs/dbraw/zinc/04/28/77/562042877.db2.gz UUELGVPSDQEDNK-DEOSSOPVSA-N 1 0 535.645 4.043 1 0 KIAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCc3ccccc3)cc2)n1 ZINC000034804079 562042879 /nfs/dbraw/zinc/04/28/79/562042879.db2.gz LSDOWXRYVOGCBF-SANMLTNESA-N 1 0 555.635 4.197 1 0 KIAFRO Cc1cccc2c1N(C1CC[NH+](CCCn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)C(=O)CO2 ZINC000034804813 562043283 /nfs/dbraw/zinc/04/32/83/562043283.db2.gz RESXFZPYLTYNJX-UHFFFAOYSA-N 1 0 631.721 4.475 1 0 KIAFRO Cc1cccc2c1N(C1CC[NH+](CCCn3nc(-c4ccc(Br)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)C(=O)CO2 ZINC000034804844 562043450 /nfs/dbraw/zinc/04/34/50/562043450.db2.gz QQNJSLZFYGMUKV-UHFFFAOYSA-N 1 0 642.620 4.219 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCC[NH+]2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804848 562043514 /nfs/dbraw/zinc/04/35/14/562043514.db2.gz OMDGGXZLVWQNQJ-UHFFFAOYSA-N 1 0 617.694 4.167 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)NCc4cc(Cl)ccc43)CC2)C1 ZINC000034804900 562043508 /nfs/dbraw/zinc/04/35/08/562043508.db2.gz PPNRZJCYXTWNEF-XMMPIXPASA-N 1 0 667.154 4.095 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)NCc4cc(Cl)ccc43)CC2)C1 ZINC000034804904 562043520 /nfs/dbraw/zinc/04/35/20/562043520.db2.gz PPNRZJCYXTWNEF-DEOSSOPVSA-N 1 0 667.154 4.095 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)CCc4cc(Cl)ccc43)CC2)C1 ZINC000034804907 562043488 /nfs/dbraw/zinc/04/34/88/562043488.db2.gz FGUVGHPZGGMLJY-RUZDIDTESA-N 1 0 666.166 4.345 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)CCc4cc(Cl)ccc43)CC2)C1 ZINC000034804910 562043496 /nfs/dbraw/zinc/04/34/96/562043496.db2.gz FGUVGHPZGGMLJY-VWLOTQADSA-N 1 0 666.166 4.345 1 0 KIAFRO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000034946415 562044070 /nfs/dbraw/zinc/04/40/70/562044070.db2.gz DSUNZEZCXUMUEH-MHZLTWQESA-N 1 0 512.676 4.455 1 0 in-vitro KIAFRO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000034946417 562043993 /nfs/dbraw/zinc/04/39/93/562043993.db2.gz DSUNZEZCXUMUEH-HHHXNRCGSA-N 1 0 512.676 4.455 1 0 KIAFRO O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCCSCC[NH2+]CCc1cccc(Cl)c1Cl)ccc2[O-] ZINC000034946553 562044016 /nfs/dbraw/zinc/04/40/16/562044016.db2.gz VSVCCWQJHSJDMV-SFHVURJKSA-N 1 0 516.516 4.181 1 0 KIAFRO O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCSCCC[NH2+]CCc1cccc(Cl)c1Cl)ccc2[O-] ZINC000034946655 562044056 /nfs/dbraw/zinc/04/40/56/562044056.db2.gz PEVWKBRNDRRBCW-SFHVURJKSA-N 1 0 516.516 4.181 1 0 KIAFRO O=C(C/C=C/c1ccc(Cl)cc1)N[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000035050546 562044451 /nfs/dbraw/zinc/04/44/51/562044451.db2.gz RTHVXJQJBKWTIT-YIEUXPRJSA-N 1 0 519.041 4.406 1 0 KIAFRO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)CCc5ccc(Cl)cc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000035050549 562044381 /nfs/dbraw/zinc/04/43/81/562044381.db2.gz UJSYTVDGBUQRBX-QVDUQQMDSA-N 1 0 521.057 4.239 1 0 KIAFRO O=C(CCCc1ccc(Cl)cc1)N[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000035050555 562044601 /nfs/dbraw/zinc/04/46/01/562044601.db2.gz CPQPWWQOZGDNGK-QVDUQQMDSA-N 1 0 521.057 4.326 1 0 KIAFRO C[N@H+](Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000035803024 562045385 /nfs/dbraw/zinc/04/53/85/562045385.db2.gz DOSHNBBCJANGSE-AREMUKBSSA-N 1 0 511.960 4.482 1 0 KIAFRO C[N@H+](Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000035803025 562045336 /nfs/dbraw/zinc/04/53/36/562045336.db2.gz DOSHNBBCJANGSE-SANMLTNESA-N 1 0 511.960 4.482 1 0 KIAFRO C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CCOCC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000035874340 562045655 /nfs/dbraw/zinc/04/56/55/562045655.db2.gz RXCCIZPAGIKKKR-QHCPKHFHSA-N 1 0 516.661 4.049 1 0 KIAFRO Cc1ccc2ccc(NC(=O)OCCC[NH2+]CCCOC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1 ZINC000035881103 562045682 /nfs/dbraw/zinc/04/56/82/562045682.db2.gz RLXLNYXAIXVZCE-UHFFFAOYSA-N 1 0 503.563 4.357 1 0 KIAFRO O=C(C=Cc1cc(F)c(F)c(F)c1)N1CCC([C@H](CO)[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000035881348 562045587 /nfs/dbraw/zinc/04/55/87/562045587.db2.gz FAVAZRNVWDSBBZ-MQRYDUTKSA-N 1 0 512.576 4.473 1 0 KIAFRO O=C(C=Cc1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000035881350 562045603 /nfs/dbraw/zinc/04/56/03/562045603.db2.gz FAVAZRNVWDSBBZ-YMBOSHGCSA-N 1 0 512.576 4.473 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@]1(c2cccc(C(C)(C)C)c2)CCc2n[nH]cc2C1 ZINC000035937027 562045744 /nfs/dbraw/zinc/04/57/44/562045744.db2.gz BAILJXDQIBWAPX-YIKNKFAXSA-N 1 0 510.629 4.068 1 0 KIAFRO C[N@H+](Cc1ccc(NC(=O)c2ccccc2Cl)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000035953481 562045943 /nfs/dbraw/zinc/04/59/43/562045943.db2.gz WHOZXYDWVXCOBP-AREMUKBSSA-N 1 0 511.960 4.482 1 0 KIAFRO C[N@H+](Cc1ccc(NC(=O)c2ccccc2Cl)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000035953482 562045875 /nfs/dbraw/zinc/04/58/75/562045875.db2.gz WHOZXYDWVXCOBP-SANMLTNESA-N 1 0 511.960 4.482 1 0 KIAFRO CC(=O)Nc1ccc2c(c1)C[C@H](N(CCCN1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000035953543 562045949 /nfs/dbraw/zinc/04/59/49/562045949.db2.gz NDXIREGXKRWDPJ-XMMPIXPASA-N 1 0 516.061 4.466 1 0 KIAFRO CC(=O)Nc1ccc2c(c1)C[C@@H](N(CCCN1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000035953544 562045916 /nfs/dbraw/zinc/04/59/16/562045916.db2.gz NDXIREGXKRWDPJ-DEOSSOPVSA-N 1 0 516.061 4.466 1 0 KIAFRO CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000036089378 562046926 /nfs/dbraw/zinc/04/69/26/562046926.db2.gz VHZXTKPBCSXANE-UHFFFAOYSA-N 1 0 544.103 4.214 1 0 KIAFRO COC(=O)CCc1ccc(NC(=O)c2ccc(C(=[NH2+])N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000036126795 562047805 /nfs/dbraw/zinc/04/78/05/562047805.db2.gz QYUZDDGWOYPEHN-UHFFFAOYSA-N 1 0 507.978 4.232 1 0 KIAFRO CCOC(=O)COc1ccc(NC(=O)c2ccc(C(=[NH2+])N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000036126796 562047724 /nfs/dbraw/zinc/04/77/24/562047724.db2.gz JITBHWXQCWARKL-UHFFFAOYSA-N 1 0 523.977 4.068 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000036139708 562047821 /nfs/dbraw/zinc/04/78/21/562047821.db2.gz ZAAHWJMMDZYDIP-FZALEWBBSA-N 1 0 575.794 4.166 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000036139713 581099329 /nfs/dbraw/zinc/09/93/29/581099329.db2.gz ZAAHWJMMDZYDIP-UGVPCDPQSA-N 1 0 575.794 4.166 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2C[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000036139716 562047849 /nfs/dbraw/zinc/04/78/49/562047849.db2.gz ZAAHWJMMDZYDIP-OTDVUZTKSA-N 1 0 575.794 4.166 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2C[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000036139720 581099197 /nfs/dbraw/zinc/09/91/97/581099197.db2.gz ZAAHWJMMDZYDIP-GOCBRBCHSA-N 1 0 575.794 4.166 1 0 KIAFRO CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]CC5CCOCC5)C4)C3)s2)cc1 ZINC000036151871 562048342 /nfs/dbraw/zinc/04/83/42/562048342.db2.gz CMZKDCBTHAAMJQ-RPBOFIJWSA-N 1 0 524.731 4.334 1 0 KIAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCN2CCOCC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000036184573 562050194 /nfs/dbraw/zinc/05/01/94/562050194.db2.gz GXAPJIXXSLQQBJ-ZTVFFDQVSA-N 1 0 559.538 4.192 1 0 KIAFRO CC(C)(C)C[C@@H]1[NH2+][C@H](C(=O)NCCN2CCOCC2)[C@@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000036184577 562050201 /nfs/dbraw/zinc/05/02/01/562050201.db2.gz YTBYOWZWBDYLQF-MHGRFWDASA-N 1 0 577.528 4.331 1 0 KIAFRO CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(N5CC[NH2+]CC5)cc4)s3)cc(C)c2C)CC1 ZINC000036184855 562050413 /nfs/dbraw/zinc/05/04/13/562050413.db2.gz PFFUHUKZADCSFP-UHFFFAOYSA-N 1 0 592.791 4.018 1 0 KIAFRO CC[NH2+]Cc1ccc(C(=O)Nc2ncc(Sc3cc(C(=O)N4CCN(C(C)=O)CC4)c(OC)cc3C)s2)cc1 ZINC000036184873 562050465 /nfs/dbraw/zinc/05/04/65/562050465.db2.gz OQNIMKVDOJIQID-UHFFFAOYSA-N 1 0 567.737 4.277 1 0 KIAFRO COc1ccccc1Oc1cccc(C[NH+]2CCC(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)(C(=O)[O-])CC2)c1 ZINC000036184916 562050647 /nfs/dbraw/zinc/05/06/47/562050647.db2.gz TUFFUEHRXNGQLP-UHFFFAOYSA-N 1 0 543.664 4.344 1 0 KIAFRO COc1ccc(Br)c(OC)c1C(=O)NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000036187749 562050924 /nfs/dbraw/zinc/05/09/24/562050924.db2.gz RHAFVVVYTKSXMK-UHFFFAOYSA-N 1 0 533.492 4.408 1 0 KIAFRO O=Cc1ccc(C(=O)Nc2cccc3c4c([nH]c32)[C@H]2Oc3c5c(ccc3O)C[C@H]3[N@@H+](CC6CC6)CC[C@]52[C@@]3(O)C4)cc1C=O ZINC000036190465 562051093 /nfs/dbraw/zinc/05/10/93/562051093.db2.gz QWQJCNFKUGDCGU-RGCAUABWSA-N 1 0 589.648 4.450 1 0 KIAFRO CCOC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OCC)(C1=O)[C@H](c1ccc(Cl)cc1)N(C)[C@@H]2c1ccc(Cl)cc1 ZINC000036221418 562051415 /nfs/dbraw/zinc/05/14/15/562051415.db2.gz QRAPNWUNVRQZHN-STPMEKMUSA-N 1 0 533.452 4.335 1 0 KIAFRO O=C(/C=C/c1ccccc1Cl)N[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000036221607 562051421 /nfs/dbraw/zinc/05/14/21/562051421.db2.gz XJIJVLIGDNTFBP-DCKFNVBLSA-N 1 0 505.014 4.016 1 0 KIAFRO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000036221641 562051426 /nfs/dbraw/zinc/05/14/26/562051426.db2.gz MZQXVMRVTJDWCK-RVVCTDIQSA-N 1 0 533.068 4.405 1 0 KIAFRO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5Cl)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000036221947 562051594 /nfs/dbraw/zinc/05/15/94/562051594.db2.gz DAGJGFYYIBDDIY-JSZJOHKHSA-N 1 0 519.041 4.319 1 0 KIAFRO CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@H](C(N)=O)[C@@H]1c1ccc(OC)cc1 ZINC000036248012 562052313 /nfs/dbraw/zinc/05/23/13/562052313.db2.gz QFVSJYNKQYXIFC-UIUQJESISA-N 1 0 509.647 4.095 1 0 KIAFRO CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000036284704 562053388 /nfs/dbraw/zinc/05/33/88/562053388.db2.gz PUBNSQFRKLLQSF-SLGZMBILSA-N 1 0 620.213 4.448 1 0 KIAFRO CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000036284708 562053340 /nfs/dbraw/zinc/05/33/40/562053340.db2.gz PUBNSQFRKLLQSF-WRVRXEDSSA-N 1 0 620.213 4.448 1 0 KIAFRO CC[NH+](CC)C[C@@H](C1CCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000036284756 562053346 /nfs/dbraw/zinc/05/33/46/562053346.db2.gz OGUFRVWONJSCFY-IWWXRALLSA-N 1 0 594.244 4.127 1 0 KIAFRO CC[NH+](CC)C[C@H](C1CCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000036284761 562053354 /nfs/dbraw/zinc/05/33/54/562053354.db2.gz OGUFRVWONJSCFY-XWHIBYANSA-N 1 0 594.244 4.127 1 0 KIAFRO O=C(C[C@H]1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+]([C@@H](CN2C(=O)CCC2=O)C2CCCCC2)CC1 ZINC000036284816 562053465 /nfs/dbraw/zinc/05/34/65/562053465.db2.gz FEHBCKMPFWAMEF-HQMADOEBSA-N 1 0 634.221 4.036 1 0 KIAFRO O=C(C[C@@H]1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+]([C@@H](CN2C(=O)CCC2=O)C2CCCCC2)CC1 ZINC000036284820 562053484 /nfs/dbraw/zinc/05/34/84/562053484.db2.gz FEHBCKMPFWAMEF-NBZVVWIMSA-N 1 0 634.221 4.036 1 0 KIAFRO O=C(C[C@H]1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+]([C@H](CN2C(=O)CCC2=O)C2CCCCC2)CC1 ZINC000036284825 562053438 /nfs/dbraw/zinc/05/34/38/562053438.db2.gz FEHBCKMPFWAMEF-JJEZKPMQSA-N 1 0 634.221 4.036 1 0 KIAFRO O=C(C[C@@H]1Cc2ccccc2N1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+]([C@H](CN2C(=O)CCC2=O)C2CCCCC2)CC1 ZINC000036284829 562053453 /nfs/dbraw/zinc/05/34/53/562053453.db2.gz FEHBCKMPFWAMEF-FAOMPSFFSA-N 1 0 634.221 4.036 1 0 KIAFRO COc1ccccc1CC[NH2+]Cc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(C)=O)CC1 ZINC000036285126 562053782 /nfs/dbraw/zinc/05/37/82/562053782.db2.gz RBPXZGGCEYINEX-HHHXNRCGSA-N 1 0 584.548 4.125 1 0 KIAFRO CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2C[NH2+]CCc2cccs2)CC1 ZINC000036285146 562053729 /nfs/dbraw/zinc/05/37/29/562053729.db2.gz UZFGPUGHLKNQKT-RUZDIDTESA-N 1 0 560.551 4.178 1 0 KIAFRO NC(=[NH2+])NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000036285323 562054091 /nfs/dbraw/zinc/05/40/91/562054091.db2.gz GBTCAHLJDYHAKJ-HDBFZYDSSA-N 1 0 632.809 4.031 1 0 KIAFRO NC(=[NH2+])NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000036285328 562054075 /nfs/dbraw/zinc/05/40/75/562054075.db2.gz GBTCAHLJDYHAKJ-AOJHZZQJSA-N 1 0 632.809 4.031 1 0 KIAFRO NC(=[NH2+])NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000036285340 562054106 /nfs/dbraw/zinc/05/41/06/562054106.db2.gz GBTCAHLJDYHAKJ-AYXCPNKJSA-N 1 0 632.809 4.031 1 0 KIAFRO NC(=[NH2+])NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000036285343 562054061 /nfs/dbraw/zinc/05/40/61/562054061.db2.gz GBTCAHLJDYHAKJ-NUXXNWGHSA-N 1 0 632.809 4.031 1 0 KIAFRO NC(=[NH2+])NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000036285367 562054103 /nfs/dbraw/zinc/05/41/03/562054103.db2.gz GBTCAHLJDYHAKJ-NDLNHBFLSA-N 1 0 632.809 4.031 1 0 KIAFRO NC(=[NH2+])NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000036285370 562054057 /nfs/dbraw/zinc/05/40/57/562054057.db2.gz GBTCAHLJDYHAKJ-BAQBVXSRSA-N 1 0 632.809 4.031 1 0 KIAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000036285693 562054329 /nfs/dbraw/zinc/05/43/29/562054329.db2.gz UHCJZKIXPWSANQ-QHCPKHFHSA-N 1 0 525.637 4.436 1 0 KIAFRO CC(=O)CCCCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NCCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000036338697 562057116 /nfs/dbraw/zinc/05/71/16/562057116.db2.gz ZLBAKXHFMPRKNL-YWEHKCAJSA-N 1 0 516.686 4.470 1 0 KIAFRO CC(=O)CCCCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NCCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000036338698 562057141 /nfs/dbraw/zinc/05/71/41/562057141.db2.gz ZLBAKXHFMPRKNL-CUBQBAPOSA-N 1 0 516.686 4.470 1 0 KIAFRO COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCCC[NH+](C)C)c4)c3n2)cc(OC)c1OC ZINC000036348691 562057842 /nfs/dbraw/zinc/05/78/42/562057842.db2.gz NYPMCXANQULGIL-UHFFFAOYSA-N 1 0 518.618 4.262 1 0 KIAFRO COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCC[NH+]5CCCC5)c4)c3n2)cc(OC)c1OC ZINC000036348729 562057866 /nfs/dbraw/zinc/05/78/66/562057866.db2.gz PDTQABFRBURQHW-UHFFFAOYSA-N 1 0 516.602 4.016 1 0 KIAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 ZINC000036351438 562058385 /nfs/dbraw/zinc/05/83/85/562058385.db2.gz GUAYHTLGOSYHNP-KKUQBAQOSA-N 1 0 518.061 4.024 1 0 KIAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(S(C)(=O)=O)c4)C[C@H]23)CC1 ZINC000036351508 562058497 /nfs/dbraw/zinc/05/84/97/562058497.db2.gz FFKRPARBTBRYEY-KODFZCBSSA-N 1 0 563.139 4.474 1 0 KIAFRO Cn1c2ccc(Cl)cc2c(NC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C(=O)N2CCCC2)c1=O ZINC000036351518 562058536 /nfs/dbraw/zinc/05/85/36/562058536.db2.gz SRSOWXVISAPYSC-UHFFFAOYSA-N 1 0 523.033 4.233 1 0 KIAFRO CN(C(=O)c1ccc(-c2ccncc2)cc1)[C@H]1CCN(C(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC000036351600 562058682 /nfs/dbraw/zinc/05/86/82/562058682.db2.gz FTASESMJUQUEOO-VMPREFPWSA-N 1 0 511.670 4.312 1 0 KIAFRO COc1cncc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@H]([NH2+]CCCc5ccccc5)C4)C3)cc2)c1 ZINC000036351617 562058791 /nfs/dbraw/zinc/05/87/91/562058791.db2.gz YUOKDWGOMTZRNV-VMPREFPWSA-N 1 0 541.696 4.320 1 0 KIAFRO COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@H]([NH2+]CCCc5ccccc5)C4)C3)cc2)cn1 ZINC000036351628 562058837 /nfs/dbraw/zinc/05/88/37/562058837.db2.gz YYRGQTNZBYLMAL-VMPREFPWSA-N 1 0 541.696 4.320 1 0 KIAFRO CC(=O)N1CCC([NH2+][C@@H]2CCN(C(=O)N3CC[C@H](N(C)C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)C3)C2)CC1 ZINC000036351631 562058778 /nfs/dbraw/zinc/05/87/78/562058778.db2.gz LYZFBBAYWGQGHO-IZLXSDGUSA-N 1 0 585.671 4.314 1 0 KIAFRO CN(C(=O)c1ccc(-c2cccnc2)cc1)[C@H]1CCN(C(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC000036351679 562058957 /nfs/dbraw/zinc/05/89/57/562058957.db2.gz BLKNLBRPWSMWSI-VMPREFPWSA-N 1 0 511.670 4.312 1 0 KIAFRO CN(C(=O)c1ccc(-c2ccc(C(N)=O)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC000036351692 562058980 /nfs/dbraw/zinc/05/89/80/562058980.db2.gz BUZVDOFBLMBRHC-KYJUHHDHSA-N 1 0 553.707 4.016 1 0 KIAFRO C[NH+]1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CO)c4)C[C@@H]3C2)CC1 ZINC000036351704 562058997 /nfs/dbraw/zinc/05/89/97/562058997.db2.gz RKGAKQIZJDEHFX-QFWOEDSFSA-N 1 0 509.645 4.288 1 0 KIAFRO CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([N@H+](C)C5CCOCC5)C4)C3)s2)cc1 ZINC000036351785 562059138 /nfs/dbraw/zinc/05/91/38/562059138.db2.gz XJRFMPNQRSQOOQ-RPBOFIJWSA-N 1 0 524.731 4.429 1 0 KIAFRO CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([NH2+]C5CCOCC5)C4)C3)cc2)cc1 ZINC000036351826 562059295 /nfs/dbraw/zinc/05/92/95/562059295.db2.gz LLYYRLDEEFEIGE-IZLXSDGUSA-N 1 0 504.675 4.025 1 0 KIAFRO C[NH+](C)CCNc1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1 ZINC000036414541 562060553 /nfs/dbraw/zinc/06/05/53/562060553.db2.gz XTGPTSINKXYKJD-UHFFFAOYSA-N 1 0 503.266 4.476 1 0 KIAFRO COc1c(F)ccc2ncc(Cl)c(CCN3CCC([NH2+]Cc4ccc5c(n4)NC(=O)CS5)CC3)c21 ZINC000036415486 562060639 /nfs/dbraw/zinc/06/06/39/562060639.db2.gz ILIBCDWJBLBPEZ-UHFFFAOYSA-N 1 0 516.042 4.272 1 0 KIAFRO CCCC[C@@H]1CN(CC2CCOCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000036436683 562060725 /nfs/dbraw/zinc/06/07/25/562060725.db2.gz BAXFHZTZXORGEP-RUZDIDTESA-N 1 0 541.737 4.218 1 0 KIAFRO CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CC[NH+](C1CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000036436684 562060699 /nfs/dbraw/zinc/06/06/99/562060699.db2.gz BAXFHZTZXORGEP-VWLOTQADSA-N 1 0 541.737 4.218 1 0 KIAFRO O=C1CC[C@](CCN2CC([N@@H+]3CC[C@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000036455309 562060821 /nfs/dbraw/zinc/06/08/21/562060821.db2.gz UXOFSGJDRPUGPP-WNCULLNHSA-N 1 0 502.486 4.195 1 0 KIAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)N[C@@H]5CCc6ccccc65)sc43)cc2)CC1 ZINC000036474113 562060859 /nfs/dbraw/zinc/06/08/59/562060859.db2.gz NDFMIWWDBGJKJR-OAQYLSRUSA-N 1 0 500.628 4.046 1 0 KIAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)N[C@H]5CCc6ccccc65)sc43)cc2)CC1 ZINC000036474114 562060819 /nfs/dbraw/zinc/06/08/19/562060819.db2.gz NDFMIWWDBGJKJR-NRFANRHFSA-N 1 0 500.628 4.046 1 0 KIAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)N[C@@H]5CCCc6ccccc65)sc43)cc2)CC1 ZINC000036474115 562060831 /nfs/dbraw/zinc/06/08/31/562060831.db2.gz VVVVEPWMNMVUNM-JOCHJYFZSA-N 1 0 514.655 4.436 1 0 KIAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)N[C@H]5CCCc6ccccc65)sc43)cc2)CC1 ZINC000036474116 562060839 /nfs/dbraw/zinc/06/08/39/562060839.db2.gz VVVVEPWMNMVUNM-QFIPXVFZSA-N 1 0 514.655 4.436 1 0 KIAFRO COc1cccc(-c2nc3ccc(-c4cc(C[NH+](C)C)ccc4F)cc3c(=O)n2CC(=O)NC(C)C)c1 ZINC000036479881 562060980 /nfs/dbraw/zinc/06/09/80/562060980.db2.gz YTTCFMVSQHRZHC-UHFFFAOYSA-N 1 0 502.590 4.464 1 0 KIAFRO O=C(C[C@@H]1CCC[NH2+]1)NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl ZINC000036761657 562061460 /nfs/dbraw/zinc/06/14/60/562061460.db2.gz HIVGXEUXJUXVAR-SFHVURJKSA-N 1 0 500.430 4.326 1 0 KIAFRO O=C(C[C@H]1CCC[NH2+]1)NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl ZINC000036761661 562061465 /nfs/dbraw/zinc/06/14/65/562061465.db2.gz HIVGXEUXJUXVAR-GOSISDBHSA-N 1 0 500.430 4.326 1 0 KIAFRO CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)C[C@H](C(=O)NCCN1CC[NH2+]CC1)C(C)C ZINC000036774645 562061606 /nfs/dbraw/zinc/06/16/06/562061606.db2.gz NAKCUPOFVUSMGI-PKKDDUSOSA-N 1 0 753.009 4.360 1 0 KIAFRO CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)C[C@H](C(=O)NCC[NH3+])C(C)C ZINC000036774649 562061619 /nfs/dbraw/zinc/06/16/19/562061619.db2.gz VWEJKKZJZMBHBR-ZHJDQOBRSA-N 1 0 683.902 4.413 1 0 KIAFRO CC(C)C[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)C1CCCCC1 ZINC000037868459 562062462 /nfs/dbraw/zinc/06/24/62/562062462.db2.gz DUAICTIIBXCAAZ-SDHOMARFSA-N 1 0 695.718 4.360 1 0 KIAFRO C[NH+]1CCN(C/C=C/c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@@H]2NS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000038140955 562063197 /nfs/dbraw/zinc/06/31/97/562063197.db2.gz PRHSSTWRJVSBAX-GMCSHBSFSA-N 1 0 506.137 4.134 1 0 KIAFRO COc1ccc(CC[N@H+](C)CCCN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1OC ZINC000038143414 562063917 /nfs/dbraw/zinc/06/39/17/562063917.db2.gz HQDHRIMGPIZFQT-AGTZKDDFSA-N 1 0 510.634 4.460 1 0 KIAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc2C1 ZINC000038148610 562065757 /nfs/dbraw/zinc/06/57/57/562065757.db2.gz QGHLEPZBTTVHGJ-RRPNLBNLSA-N 1 0 532.088 4.195 1 0 KIAFRO C[NH+]1CCN(C[C@@H]2CNc3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc3O2)CC1 ZINC000038149708 562066230 /nfs/dbraw/zinc/06/62/30/562066230.db2.gz RCVZWTDSDJVWOI-FQEVSTJZSA-N 1 0 508.047 4.188 1 0 KIAFRO C[NH+]1CCN(C[C@H]2CNc3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc3O2)CC1 ZINC000038149709 562066125 /nfs/dbraw/zinc/06/61/25/562066125.db2.gz RCVZWTDSDJVWOI-HXUWFJFHSA-N 1 0 508.047 4.188 1 0 KIAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000038149844 562066142 /nfs/dbraw/zinc/06/61/42/562066142.db2.gz HUOGZJSVHPIATA-OAQYLSRUSA-N 1 0 539.558 4.007 1 0 KIAFRO CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCC3)c21 ZINC000038151182 562066846 /nfs/dbraw/zinc/06/68/46/562066846.db2.gz HJPFFQXHOWOXMX-DEOSSOPVSA-N 1 0 573.694 4.157 1 0 KIAFRO Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)OCCC[NH+](C)C)CC2)c2ccccc12 ZINC000038151322 562066969 /nfs/dbraw/zinc/06/69/69/562066969.db2.gz NNTFZCYXELBMNG-UHFFFAOYSA-N 1 0 552.697 4.232 1 0 KIAFRO CCCCCCNC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)c1 ZINC000038152928 562067354 /nfs/dbraw/zinc/06/73/54/562067354.db2.gz FOPZEEYGUUWGID-MHZLTWQESA-N 1 0 584.739 4.467 1 0 KIAFRO CS(=O)(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(Cc3ccccc3C(N)=O)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156565 562068455 /nfs/dbraw/zinc/06/84/55/562068455.db2.gz DDYQGSGSMPSOTP-UHFFFAOYSA-N 1 0 609.620 4.442 1 0 KIAFRO CS(=O)(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(Cc3cccc(C(N)=O)c3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156566 562068418 /nfs/dbraw/zinc/06/84/18/562068418.db2.gz ACMGXLBBZHJYMG-UHFFFAOYSA-N 1 0 609.620 4.442 1 0 KIAFRO CS(=O)(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156567 562068393 /nfs/dbraw/zinc/06/83/93/562068393.db2.gz GUCFYJUDEQEFSH-UHFFFAOYSA-N 1 0 609.620 4.442 1 0 KIAFRO CS(=O)(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156571 562068461 /nfs/dbraw/zinc/06/84/61/562068461.db2.gz NTMGUIDGOILDRZ-UHFFFAOYSA-N 1 0 613.583 4.422 1 0 KIAFRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 ZINC000038228785 562070620 /nfs/dbraw/zinc/07/06/20/562070620.db2.gz PEFVTWREQBVUOK-JARJBNJMSA-N 1 0 511.629 4.333 1 0 KIAFRO Cc1ccc(O)cc1-c1cc(C)c2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2c1 ZINC000038228992 562070623 /nfs/dbraw/zinc/07/06/23/562070623.db2.gz PHSGAESTNBYAHM-UHFFFAOYSA-N 1 0 518.643 4.132 1 0 KIAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3[nH]nc4sc(C(=O)NC(C)(C)c5ccccc5)cc43)cc2)CC1 ZINC000038324192 562070976 /nfs/dbraw/zinc/07/09/76/562070976.db2.gz GMCVFFUTKQUYKX-UHFFFAOYSA-N 1 0 502.644 4.294 1 0 KIAFRO CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(C[NH+]3CCCC3)c3ccccc23)NC1=O ZINC000038377712 562071683 /nfs/dbraw/zinc/07/16/83/562071683.db2.gz STYUEVXPOBLDCO-YNUFRUNLSA-N 1 0 676.903 4.062 1 0 KIAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)(C)C)c(C)c1 ZINC000038384672 562071717 /nfs/dbraw/zinc/07/17/17/562071717.db2.gz YCUHQJACMJJULF-GOTSBHOMSA-N 1 0 507.597 4.124 1 0 KIAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)CC(C)(C)C)c(C)c1 ZINC000038384673 562071736 /nfs/dbraw/zinc/07/17/36/562071736.db2.gz YCUHQJACMJJULF-XZOQPEGZSA-N 1 0 507.597 4.124 1 0 KIAFRO CCCC(O)(CCC)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N ZINC000038386014 562071676 /nfs/dbraw/zinc/07/16/76/562071676.db2.gz IEKFJRZGMAANOH-DEOSSOPVSA-N 1 0 536.639 4.240 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)c2ccccc2)cc(N2CCCC2=O)c1 ZINC000038854187 562072376 /nfs/dbraw/zinc/07/23/76/562072376.db2.gz DUSOLAHJRJHBFU-PWUSVURUSA-N 1 0 514.670 4.298 1 0 KIAFRO CCCC1=C(C(=O)OCc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)[C@H](c2cccc(C)c2)NC(=O)N1 ZINC000038913582 562072547 /nfs/dbraw/zinc/07/25/47/562072547.db2.gz ZKQFZGPVBKPMOV-MHZLTWQESA-N 1 0 518.658 4.362 1 0 KIAFRO CCCC1=C(C(=O)OCc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)[C@@H](c2cccc(C)c2)NC(=O)N1 ZINC000038913584 562072520 /nfs/dbraw/zinc/07/25/20/562072520.db2.gz ZKQFZGPVBKPMOV-HHHXNRCGSA-N 1 0 518.658 4.362 1 0 KIAFRO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCN2CCOC2=O)CCC3)cc1 ZINC000038983996 562072565 /nfs/dbraw/zinc/07/25/65/562072565.db2.gz FBIQASFAEYMVBJ-SSEXGKCCSA-N 1 0 644.769 4.270 1 0 KIAFRO CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(OC)c1)cc2N1CCCC1=O ZINC000038998431 562072680 /nfs/dbraw/zinc/07/26/80/562072680.db2.gz BARAICYUEPEIRD-QCENPCRXSA-N 1 0 554.691 4.288 1 0 in-vitro KIAFRO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C5=[NH+]CCN5C)CC4)cc2)CC3)cc1 ZINC000040379560 562073313 /nfs/dbraw/zinc/07/33/13/562073313.db2.gz VQJHPNQGVHAXFW-UHFFFAOYSA-N 1 0 509.532 4.478 1 0 KIAFRO Cc1c(Cn2ncc(N3CC[NH2+]CC3)c(Cl)c2=O)cccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000040379921 562073470 /nfs/dbraw/zinc/07/34/70/562073470.db2.gz WOIXJLRZNJNXII-UHFFFAOYSA-N 1 0 528.056 4.434 1 0 KIAFRO COc1cc2nc(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)nc(C(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000040392639 562073656 /nfs/dbraw/zinc/07/36/56/562073656.db2.gz JIKXTEAIZXRYTL-SFHVURJKSA-N 1 0 525.049 4.205 1 0 KIAFRO COc1cc2nc(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)nc(C(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000040392640 562073699 /nfs/dbraw/zinc/07/36/99/562073699.db2.gz JIKXTEAIZXRYTL-GOSISDBHSA-N 1 0 525.049 4.205 1 0 KIAFRO COc1cc2nc(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)nc([C@H](O)c3ccc(Cl)cc3)c2cc1OC ZINC000040392748 562073860 /nfs/dbraw/zinc/07/38/60/562073860.db2.gz RSOCATRKPYCPKS-XRHLQHRESA-N 1 0 527.065 4.055 1 0 KIAFRO COc1cc2nc(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)nc([C@@H](O)c3ccc(Cl)cc3)c2cc1OC ZINC000040392749 562073845 /nfs/dbraw/zinc/07/38/45/562073845.db2.gz RSOCATRKPYCPKS-MYUZEXMDSA-N 1 0 527.065 4.055 1 0 KIAFRO Cc1cccc(C)c1C(=O)N1CCC([N@H+](C)C2CN([C@@H](CNC(=O)C3CCC3)c3ccccc3)C2)CC1 ZINC000040393588 562074107 /nfs/dbraw/zinc/07/41/07/562074107.db2.gz PMPRLKJIXQQROT-NDEPHWFRSA-N 1 0 502.703 4.182 1 0 KIAFRO Cc1cccc(C)c1C(=O)N1CCC([N@H+](C)C2CN([C@H](CNC(=O)C3CCC3)c3ccccc3)C2)CC1 ZINC000040393589 562074096 /nfs/dbraw/zinc/07/40/96/562074096.db2.gz PMPRLKJIXQQROT-MUUNZHRXSA-N 1 0 502.703 4.182 1 0 KIAFRO COCCOc1ccc2nc(C3(NC(=O)C[C@H]([NH3+])Cc4cc(Cl)ccc4F)CCOCC3)sc2c1 ZINC000040394941 562074338 /nfs/dbraw/zinc/07/43/38/562074338.db2.gz NXGVIDAYNDDLLI-GOSISDBHSA-N 1 0 522.042 4.196 1 0 KIAFRO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4([N@H+](C)CCO)CC4)cc2)CC3)cc1 ZINC000040394962 562074351 /nfs/dbraw/zinc/07/43/51/562074351.db2.gz LRSKVRNPSWCPGL-UHFFFAOYSA-N 1 0 500.521 4.016 1 0 KIAFRO O=C(Cc1cccc(OCc2ccccc2)n1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000040395122 562074340 /nfs/dbraw/zinc/07/43/40/562074340.db2.gz CFQLFVMTRYHSFZ-NDEPHWFRSA-N 1 0 511.622 4.414 1 0 KIAFRO C[NH2+]CC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C ZINC000040395588 562074441 /nfs/dbraw/zinc/07/44/41/562074441.db2.gz IPSFANQKYGITFT-BCHFMIIMSA-N 1 0 533.088 4.048 1 0 KIAFRO C[NH+](C)CCNC(=O)c1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000040405253 562075002 /nfs/dbraw/zinc/07/50/02/562075002.db2.gz MGMZYTQUJVLCAB-UHFFFAOYSA-N 1 0 509.054 4.348 1 0 KIAFRO CC[NH+](CC)CCNC(=O)c1cnn2c1ncc(-c1ccc(NC(=O)Nc3cccc(C)c3)cc1)c2N ZINC000040405495 562075000 /nfs/dbraw/zinc/07/50/00/562075000.db2.gz JHHRDUIWWONUJQ-UHFFFAOYSA-N 1 0 500.607 4.003 1 0 KIAFRO C[NH2+]C1CCN(c2cc3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c(C)c2)CC1 ZINC000040409809 562075227 /nfs/dbraw/zinc/07/52/27/562075227.db2.gz ILKQWXHVEJRPAL-HSZRJFAPSA-N 1 0 507.038 4.214 1 0 KIAFRO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CNC(=O)CCCCc2ccccc2)CC1 ZINC000040423396 562076139 /nfs/dbraw/zinc/07/61/39/562076139.db2.gz WJRNSBUQTFEADT-UHFFFAOYSA-N 1 0 502.055 4.329 1 0 KIAFRO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C(=O)CNC(=O)c1nc2ccccc2n1Cc1ccccc1 ZINC000040423719 562076335 /nfs/dbraw/zinc/07/63/35/562076335.db2.gz RPJDNSHQYKDQRX-UHFFFAOYSA-N 1 0 509.654 4.459 1 0 KIAFRO COc1cc(C(C)C)c(Oc2cnc(NCC[NH+]3CCCCC3)nc2N)cc1I ZINC000040423757 562076291 /nfs/dbraw/zinc/07/62/91/562076291.db2.gz QWGYVISNASORKE-UHFFFAOYSA-N 1 0 511.408 4.486 1 0 KIAFRO CN(CC(=O)N1CCN(C(=O)Nc2ccccc2)C[C@@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000040428657 562076576 /nfs/dbraw/zinc/07/65/76/562076576.db2.gz DOQQONXLJXANJT-NRFANRHFSA-N 1 0 504.462 4.270 1 0 KIAFRO CN(CC(=O)N1CCN(C(=O)Nc2ccccc2)C[C@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000040428658 562076618 /nfs/dbraw/zinc/07/66/18/562076618.db2.gz DOQQONXLJXANJT-OAQYLSRUSA-N 1 0 504.462 4.270 1 0 KIAFRO CN1CCN(CC(=O)N2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040429764 562076708 /nfs/dbraw/zinc/07/67/08/562076708.db2.gz DCEQWEBZLGADFI-SYGBTZKXSA-N 1 0 500.731 4.421 1 0 KIAFRO CN1CCN(CC(=O)N2CCC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000040429766 562076752 /nfs/dbraw/zinc/07/67/52/562076752.db2.gz DCEQWEBZLGADFI-DUEBYIIVSA-N 1 0 500.731 4.421 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@](C)([NH3+])c3ccccc3)c2=O)c1F ZINC000040430716 562076853 /nfs/dbraw/zinc/07/68/53/562076853.db2.gz LFQIPHGDVFLIHU-NDEPHWFRSA-N 1 0 509.528 4.334 1 0 KIAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@](C)([NH3+])c3ccccc3)c2=O)c1F ZINC000040430718 562076848 /nfs/dbraw/zinc/07/68/48/562076848.db2.gz LFQIPHGDVFLIHU-MUUNZHRXSA-N 1 0 509.528 4.334 1 0 KIAFRO CC(C)([NH3+])CCC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000040465982 562077133 /nfs/dbraw/zinc/07/71/33/562077133.db2.gz DZINCDUETMIEPO-RUZDIDTESA-N 1 0 523.641 4.015 1 0 KIAFRO C[NH+](C)CCN[C@H](CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 ZINC000040566914 562077973 /nfs/dbraw/zinc/07/79/73/562077973.db2.gz ZDPXDMQHRLPMGG-HXUWFJFHSA-N 1 0 511.532 4.378 1 0 KIAFRO COc1cc(-n2cnc3cc(-c4ccc(S(C)(=O)=O)cc4)sc3c2=O)ccc1OCC[NH+]1CCCC1 ZINC000040619735 562078586 /nfs/dbraw/zinc/07/85/86/562078586.db2.gz GLQZRZPNHCBHHF-UHFFFAOYSA-N 1 0 525.652 4.001 1 0 KIAFRO CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC3=[NH+]C[C@@H](c4ccccc4)N3)[C@H]2SC1 ZINC000040632323 562078657 /nfs/dbraw/zinc/07/86/57/562078657.db2.gz OSFQBVXHSBFWEL-VYKTZEHYSA-N 1 0 524.646 4.167 1 0 KIAFRO CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC3=[NH+]C[C@@H](c4ccccc4)N3)[C@@H]2SC1 ZINC000040632325 562078681 /nfs/dbraw/zinc/07/86/81/562078681.db2.gz OSFQBVXHSBFWEL-JPYHZWLXSA-N 1 0 524.646 4.167 1 0 KIAFRO CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC3=[NH+]C[C@H](c4ccccc4)N3)[C@H]2SC1 ZINC000040632328 562078712 /nfs/dbraw/zinc/07/87/12/562078712.db2.gz OSFQBVXHSBFWEL-PRVBGKCFSA-N 1 0 524.646 4.167 1 0 KIAFRO CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC3=[NH+]C[C@H](c4ccccc4)N3)[C@@H]2SC1 ZINC000040632330 562078696 /nfs/dbraw/zinc/07/86/96/562078696.db2.gz OSFQBVXHSBFWEL-GKAFBRTNSA-N 1 0 524.646 4.167 1 0 KIAFRO CN1CC[NH+](CCCn2c3ccc(O)cc3c3c2cc(-c2ccccc2Cl)c2c3C(=O)NC2=O)CC1 ZINC000040835184 562080039 /nfs/dbraw/zinc/08/00/39/562080039.db2.gz PAPHKUWLLIXGAD-UHFFFAOYSA-N 1 0 503.002 4.342 1 0 KIAFRO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C[N@@H+]5CC[C@@H](O)C5)CC4)cc2)CC3)cc1 ZINC000040845193 562080106 /nfs/dbraw/zinc/08/01/06/562080106.db2.gz FEBYFUOHNKIQSC-OAQYLSRUSA-N 1 0 526.559 4.201 1 0 KIAFRO C[NH+](C)CCn1nc2c(n1)c(Br)c(Br)c(Br)c2Br ZINC000040846477 562080304 /nfs/dbraw/zinc/08/03/04/562080304.db2.gz RCWZEOABMAFDOO-UHFFFAOYSA-N 1 0 505.834 4.043 1 0 KIAFRO O=C(CN1CCCCC1)Nc1cc(C[NH2+]CCN2CCOCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000040849152 562080702 /nfs/dbraw/zinc/08/07/02/562080702.db2.gz FXXPMAGDASAAAG-UHFFFAOYSA-N 1 0 537.108 4.478 1 0 KIAFRO COCC[NH+]1CCC(c2cc3[nH]c(-c4c(NCCn5cc(Cl)cn5)cc[nH]c4=O)nc3c(C)c2)CC1 ZINC000040862522 562080907 /nfs/dbraw/zinc/08/09/07/562080907.db2.gz SVKIVWVOFVHFNK-UHFFFAOYSA-N 1 0 510.042 4.014 1 0 KIAFRO CCOC(=O)CN(Cc1ccccc1)c1ccc2c(c1)O[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000040863136 562080940 /nfs/dbraw/zinc/08/09/40/562080940.db2.gz RYOHTLPDVCSHSF-GDLZYMKVSA-N 1 0 502.615 4.207 1 0 KIAFRO CC(C)(C)c1ccc(-c2nc3c(cccc3N3CC[NH+](Cc4ccc5[nH]c(=O)c(=O)[nH]c5c4)CC3)[nH]2)cc1 ZINC000040863973 562081071 /nfs/dbraw/zinc/08/10/71/562081071.db2.gz IFRHRAPSJRMCTF-UHFFFAOYSA-N 1 0 508.626 4.379 1 0 KIAFRO COCCN(C(=O)Cc1ccccc1Br)[C@H]1c2cc(OC)c(OC)cc2CC[C@H]1[NH+](C)C ZINC000040863985 562081047 /nfs/dbraw/zinc/08/10/47/562081047.db2.gz WWMHDPBRIAEOOK-BWKNWUBXSA-N 1 0 505.453 4.102 1 0 KIAFRO COCCN(C(=O)Cc1ccccc1Br)[C@H]1c2cc(OC)c(OC)cc2CC[C@@H]1[NH+](C)C ZINC000040863987 562081085 /nfs/dbraw/zinc/08/10/85/562081085.db2.gz WWMHDPBRIAEOOK-OFVILXPXSA-N 1 0 505.453 4.102 1 0 KIAFRO COCCN(C(=O)Cc1ccccc1Br)[C@@H]1c2cc(OC)c(OC)cc2CC[C@H]1[NH+](C)C ZINC000040863989 562081082 /nfs/dbraw/zinc/08/10/82/562081082.db2.gz WWMHDPBRIAEOOK-PXDATVDWSA-N 1 0 505.453 4.102 1 0 KIAFRO COCCN(C(=O)Cc1ccccc1Br)[C@@H]1c2cc(OC)c(OC)cc2CC[C@@H]1[NH+](C)C ZINC000040863991 562081102 /nfs/dbraw/zinc/08/11/02/562081102.db2.gz WWMHDPBRIAEOOK-SQJMNOBHSA-N 1 0 505.453 4.102 1 0 KIAFRO CC(=O)NCC[NH2+]Cc1ccc(C(=O)NCCCCn2c3ccc(O)cc3c(C)c2-c2ccc(O)cc2)cc1 ZINC000040873946 562081752 /nfs/dbraw/zinc/08/17/52/562081752.db2.gz KLCNVHZSLYFXDI-UHFFFAOYSA-N 1 0 528.653 4.464 1 0 KIAFRO O=C(Cc1nccn1Cc1ccccc1)N1CCCc2cc(CC[NH2+]C[C@H](O)COc3ccccc3)ccc21 ZINC000040876754 562082155 /nfs/dbraw/zinc/08/21/55/562082155.db2.gz YMGPFSYBGCDOLQ-NDEPHWFRSA-N 1 0 524.665 4.025 1 0 KIAFRO CN1CCN(CC(=O)N[C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040876970 562082332 /nfs/dbraw/zinc/08/23/32/562082332.db2.gz RDNNQBIJCSTXLF-GJTYJFQVSA-N 1 0 500.731 4.325 1 0 KIAFRO CC(=O)c1sc(NC(=O)N[C@]2(C)CN(C)C(=O)O[C@@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000040877394 562082293 /nfs/dbraw/zinc/08/22/93/562082293.db2.gz ZAGLIRVCRPDDPG-JDRJUVJTSA-N 1 0 531.654 4.079 1 0 KIAFRO CC(=O)c1sc(NC(=O)N[C@@]2(C)CN(C)C(=O)O[C@@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000040877398 562082265 /nfs/dbraw/zinc/08/22/65/562082265.db2.gz ZAGLIRVCRPDDPG-UTAZYMRLSA-N 1 0 531.654 4.079 1 0 KIAFRO CC(=O)c1sc(NC(=O)N[C@]2(C)CN(C)C(=O)O[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000040877402 562082341 /nfs/dbraw/zinc/08/23/41/562082341.db2.gz ZAGLIRVCRPDDPG-HEKZAOSPSA-N 1 0 531.654 4.079 1 0 KIAFRO CC(=O)c1sc(NC(=O)N[C@@]2(C)CN(C)C(=O)O[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000040877406 562082336 /nfs/dbraw/zinc/08/23/36/562082336.db2.gz ZAGLIRVCRPDDPG-ZVOVDXHFSA-N 1 0 531.654 4.079 1 0 KIAFRO C[NH2+]CC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000040877766 562082314 /nfs/dbraw/zinc/08/23/14/562082314.db2.gz DJUMIBAWSMGVLY-CLOONOSVSA-N 1 0 503.062 4.039 1 0 KIAFRO O=C(Cc1nccn1Cc1ccc(Cl)cc1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000040878785 562082458 /nfs/dbraw/zinc/08/24/58/562082458.db2.gz PRRQGANLUANRHQ-SANMLTNESA-N 1 0 519.045 4.338 1 0 KIAFRO CCCN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000040879266 562082440 /nfs/dbraw/zinc/08/24/40/562082440.db2.gz ZVKJNELSVJBCTP-LJAQVGFWSA-N 1 0 526.681 4.489 1 0 KIAFRO CCN(CCC[NH+]1CCC2(CC1)OCc1cc(F)ncc12)C(=O)[C@@H](c1ccc(F)c(F)c1)n1cccn1 ZINC000040879658 562082464 /nfs/dbraw/zinc/08/24/64/562082464.db2.gz CMNZKLJBUSCMMX-RUZDIDTESA-N 1 0 513.564 4.045 1 0 KIAFRO CCN(CCC[NH+]1CCC2(CC1)OCc1cc(F)ncc12)C(=O)[C@H](c1ccc(F)c(F)c1)n1cccn1 ZINC000040879662 562082462 /nfs/dbraw/zinc/08/24/62/562082462.db2.gz CMNZKLJBUSCMMX-VWLOTQADSA-N 1 0 513.564 4.045 1 0 KIAFRO Cc1ccnc(C)c1C(=O)N1CCC([NH+]2CCC([C@@H](Cc3ccccc3)C(=O)NCC3CC3)CC2)CC1 ZINC000040895456 562083028 /nfs/dbraw/zinc/08/30/28/562083028.db2.gz JYGXTMSAWJOSAQ-MUUNZHRXSA-N 1 0 502.703 4.400 1 0 KIAFRO Cc1ccnc(C)c1C(=O)N1CCC([NH+]2CCC([C@H](Cc3ccccc3)C(=O)NCC3CC3)CC2)CC1 ZINC000040895459 562083006 /nfs/dbraw/zinc/08/30/06/562083006.db2.gz JYGXTMSAWJOSAQ-NDEPHWFRSA-N 1 0 502.703 4.400 1 0 KIAFRO COCCCN(Cc1ccccc1-c1ccc(CN2CC[NH2+]CC2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000040899063 562083271 /nfs/dbraw/zinc/08/32/71/562083271.db2.gz YTBXTOMFDAEXEA-UHFFFAOYSA-N 1 0 511.663 4.125 1 0 KIAFRO O=C(/C=C/c1ccc(Cl)cc1)O[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000040899355 562083290 /nfs/dbraw/zinc/08/32/90/562083290.db2.gz SHGIEUUYOPTYHQ-DNIKMYEQSA-N 1 0 505.998 4.443 1 0 KIAFRO Cn1c2cc(C[NH+]3CCN(c4cccc5[nH]c(-c6ccc(C(C)(C)C)cc6)nc54)CC3)ccc2[nH]c(=O)c1=O ZINC000040900495 562083414 /nfs/dbraw/zinc/08/34/14/562083414.db2.gz WNLQUIYBVROEKG-UHFFFAOYSA-N 1 0 522.653 4.390 1 0 KIAFRO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCOc1ccc(C(=O)N3CCCC3)cc1)C2 ZINC000040901456 562083695 /nfs/dbraw/zinc/08/36/95/562083695.db2.gz APUBMOASBJGFEG-OIZHIJAMSA-N 1 0 518.654 4.316 1 0 KIAFRO CC(C)[NH+]1CCN(c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4C(F)(F)F)C[C@H]3C)c2)CC1 ZINC000040934200 562084727 /nfs/dbraw/zinc/08/47/27/562084727.db2.gz OKLULYSRPLVXSO-LJQANCHMSA-N 1 0 528.616 4.274 1 0 KIAFRO CCCC[C@@H]1CN(S(=O)(=O)C2CC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000040935550 562084970 /nfs/dbraw/zinc/08/49/70/562084970.db2.gz FNMLINCQMYDDSF-XMMPIXPASA-N 1 0 545.794 4.175 1 0 KIAFRO CCCC[C@H]1CN(S(=O)(=O)C2CC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000040935552 562084973 /nfs/dbraw/zinc/08/49/73/562084973.db2.gz FNMLINCQMYDDSF-DEOSSOPVSA-N 1 0 545.794 4.175 1 0 KIAFRO CC(C)c1ccc(CN[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040935676 562084990 /nfs/dbraw/zinc/08/49/90/562084990.db2.gz IEHQQWSIDVCYFC-DSNGMDLFSA-N 1 0 518.624 4.316 1 0 KIAFRO CC(C)c1ccc(CN[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040935684 562084988 /nfs/dbraw/zinc/08/49/88/562084988.db2.gz IEHQQWSIDVCYFC-CCDWMCETSA-N 1 0 518.624 4.316 1 0 KIAFRO C[NH+](C)CCC(=O)Nc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000040939407 562085658 /nfs/dbraw/zinc/08/56/58/562085658.db2.gz VJRMFTAODLHSTA-UHFFFAOYSA-N 1 0 531.032 4.157 1 0 KIAFRO [NH3+][C@@H](Cn1c(=O)c(-c2ccc(CO)cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000040954019 562086425 /nfs/dbraw/zinc/08/64/25/562086425.db2.gz OEBZYYGQPIDGKZ-DEOSSOPVSA-N 1 0 513.491 4.076 1 0 KIAFRO CC(C)(O)Cn1c(NC(=O)c2ccc(-c3cn[nH]c3)s2)nc2cc(C[NH2+]Cc3ccccc3)ccc21 ZINC000040954820 562086552 /nfs/dbraw/zinc/08/65/52/562086552.db2.gz IXXBKMMVWWTOCC-UHFFFAOYSA-N 1 0 500.628 4.801 1 0 KIAFRO CC(C)c1ccccc1N1CC[NH+](CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1 ZINC000040957045 562086684 /nfs/dbraw/zinc/08/66/84/562086684.db2.gz JVGOJMPFDKELFD-UHFFFAOYSA-N 1 0 501.693 4.147 1 0 in-vitro KIAFRO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CCc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 ZINC000040957443 562086761 /nfs/dbraw/zinc/08/67/61/562086761.db2.gz FLRJZLPYUIALNM-NRFANRHFSA-N 1 0 524.470 4.245 1 0 KIAFRO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CCc2ccc(Cl)c(Cl)c2)Cc2cccnc2)cc1 ZINC000040957446 562086672 /nfs/dbraw/zinc/08/66/72/562086672.db2.gz NYLLWWYSSORDHQ-NRFANRHFSA-N 1 0 524.470 4.245 1 0 KIAFRO CC[NH2+]C1(C(N)=O)CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccnc(Cl)c3)n2)CC1 ZINC000040973220 562087052 /nfs/dbraw/zinc/08/70/52/562087052.db2.gz GEXXWFJVTORBID-UHFFFAOYSA-N 1 0 504.944 4.312 1 0 KIAFRO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)C[NH3+])ncn2)s1 ZINC000040973283 562087116 /nfs/dbraw/zinc/08/71/16/562087116.db2.gz DSDNXEJLHIPCBF-UHFFFAOYSA-N 1 0 502.478 4.420 1 0 KIAFRO C[NH2+]Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000042802937 562087994 /nfs/dbraw/zinc/08/79/94/562087994.db2.gz QHEFMGDJDADSRZ-ZJSXRUAMSA-N 1 0 589.501 4.259 1 0 KIAFRO CCCCn1c(=O)[nH]c2cc(-c3cc(NC(=O)c4ccc(CN5CC[NH+](C)CC5)cc4)ccc3C)ccc2c1=O ZINC000042803538 562088189 /nfs/dbraw/zinc/08/81/89/562088189.db2.gz SNCYZGYEGOTFEM-UHFFFAOYSA-N 1 0 539.680 4.465 1 0 KIAFRO COc1cc2c(cc1OCCCC[NH+]1CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC1)N=C[C@@H]1CCCN1C2=O ZINC000042803896 562088450 /nfs/dbraw/zinc/08/84/50/562088450.db2.gz BGMWDIYZFNWQTD-VWLOTQADSA-N 1 0 609.727 4.242 1 0 KIAFRO COC(=O)c1ccc(C(=O)Nc2ccc(CC[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cnccn1 ZINC000042804058 562088647 /nfs/dbraw/zinc/08/86/47/562088647.db2.gz XFRXCSTXTDDQQT-UHFFFAOYSA-N 1 0 595.656 4.386 1 0 KIAFRO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([NH2+]C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000042804245 562088747 /nfs/dbraw/zinc/08/87/47/562088747.db2.gz SERORCPZNYFBGM-LEEZEASISA-N 1 0 585.714 4.283 1 0 KIAFRO CCOC(=O)CNCc1ccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)cc1 ZINC000042804663 562088865 /nfs/dbraw/zinc/08/88/65/562088865.db2.gz CGMLBVPTUVDZPK-MHZLTWQESA-N 1 0 598.597 4.236 1 0 KIAFRO O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccccc1)N[C@@H]1CCOc2cc(C[NH+]3CCCCC3)ccc21 ZINC000042804905 562088915 /nfs/dbraw/zinc/08/89/15/562088915.db2.gz HNJNAEXTPCOYET-LEAFIULHSA-N 1 0 574.703 4.219 1 0 KIAFRO CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CNC(=O)CC[NH3+])c2)c(F)c1 ZINC000042805087 562088963 /nfs/dbraw/zinc/08/89/63/562088963.db2.gz PMPNMVPNCOKRPH-UHFFFAOYSA-N 1 0 603.598 4.318 1 0 KIAFRO COc1ccccc1/C=C/C(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CC[NH+](CC3CCOCC3)CC2)CCCC1 ZINC000042805114 562089005 /nfs/dbraw/zinc/08/90/05/562089005.db2.gz JHAKVWOBPNQSSQ-ZIEFFLOSSA-N 1 0 630.830 4.120 1 0 KIAFRO C[C@H]([NH3+])C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)c1 ZINC000042805240 562089006 /nfs/dbraw/zinc/08/90/06/562089006.db2.gz OPEFBQNDWAJEEH-INIZCTEOSA-N 1 0 603.598 4.316 1 0 KIAFRO COc1ccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CC[NH+](CC4CCOCC4)CC3)CCCC2)cc1 ZINC000042806106 562089401 /nfs/dbraw/zinc/08/94/01/562089401.db2.gz WXFLBNZSKIGSGJ-JMRYHUDMSA-N 1 0 630.830 4.120 1 0 KIAFRO COc1ccccc1OCCN1CCN(c2cnn(CCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000042806569 562089698 /nfs/dbraw/zinc/08/96/98/562089698.db2.gz CZSKONNGFVGGGW-UHFFFAOYSA-N 1 0 639.241 4.496 1 0 KIAFRO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(NC(=O)CCCNS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000042807243 562090070 /nfs/dbraw/zinc/09/00/70/562090070.db2.gz RLQPXMOCWJNXFX-UHFFFAOYSA-N 1 0 629.179 4.094 1 0 KIAFRO COc1cc2c(cc1OC)[C@H](Cc1ccccc1)[N@H+](CCn1ncc3c4nc(-c5ccco5)nn4c(N)nc31)CC2 ZINC000042851532 581093571 /nfs/dbraw/zinc/09/35/71/581093571.db2.gz WQKKBJJIAPXMJO-QHCPKHFHSA-N 1 0 550.623 4.176 1 0 KIAFRO COc1cc2c(cc1OC)[C@@H](Cc1ccccc1)[N@H+](CCn1ncc3c4nc(-c5ccco5)nn4c(N)nc31)CC2 ZINC000042851534 581093536 /nfs/dbraw/zinc/09/35/36/581093536.db2.gz WQKKBJJIAPXMJO-HSZRJFAPSA-N 1 0 550.623 4.176 1 0 KIAFRO CC[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O)[NH+]1CCCC1 ZINC000042887435 581093909 /nfs/dbraw/zinc/09/39/09/581093909.db2.gz QERNPHRNQHFRIT-LJWNLINESA-N 1 0 530.713 4.185 1 0 KIAFRO CC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@H](c3ccccc3)c3ccc4ccccc4c3)N2C1=O ZINC000042887538 581093964 /nfs/dbraw/zinc/09/39/64/581093964.db2.gz MKYCFUQCPNJXDQ-MYHRABSESA-N 1 0 526.681 4.201 1 0 KIAFRO NC(=[NH2+])c1ccc(CNC(=O)CN2c3ccccc3SC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000043024134 562645030 /nfs/dbraw/zinc/64/50/30/562645030.db2.gz XXCVQTMDWIPPNH-AREMUKBSSA-N 1 0 577.710 4.043 1 0 KIAFRO CC(=O)Nc1cccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)c1 ZINC000043024358 562645014 /nfs/dbraw/zinc/64/50/14/562645014.db2.gz VRRXJIFGRFWALI-UHFFFAOYSA-N 1 0 511.630 4.125 1 0 KIAFRO O=C(C=C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)N[C@@H]1CC[N@@H+](Cc2ccc3cc(F)ccc3c2)C1 ZINC000043025609 562645061 /nfs/dbraw/zinc/64/50/61/562645061.db2.gz CEGOGJRTCSTEOH-AREMUKBSSA-N 1 0 515.585 4.261 1 0 KIAFRO COc1cccc(O)c1C(=O)N1CCC(=CC(=O)N[C@@H]2CC[N@H+](Cc3ccc4cc(F)ccc4c3)C2)CC1 ZINC000043062461 562645198 /nfs/dbraw/zinc/64/51/98/562645198.db2.gz POLVMCDWJGUXGJ-RUZDIDTESA-N 1 0 517.601 4.246 1 0 KIAFRO O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc2nc(N3CCC[C@H]([NH2+]CCc4nn[nH]n4)C3)ccc21 ZINC000043063938 562645290 /nfs/dbraw/zinc/64/52/90/562645290.db2.gz CZOLYIGPNKZOTG-CKMRVLJOSA-N 1 0 549.123 4.149 1 0 KIAFRO O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000043064292 562645312 /nfs/dbraw/zinc/64/53/12/562645312.db2.gz XPBAUQRKCOGQBD-UHFFFAOYSA-N 1 0 531.623 4.458 1 0 KIAFRO COc1ccc(O)c(C(=O)N2CCC(=CC(=O)N[C@@H]3CC[N@H+](Cc4ccc5cc(F)ccc5c4)C3)CC2)c1 ZINC000043065535 562645369 /nfs/dbraw/zinc/64/53/69/562645369.db2.gz ZNFBEAQCHXSVEN-RUZDIDTESA-N 1 0 517.601 4.246 1 0 KIAFRO COc1ccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CC[N@H+](Cc4ccc5cc(F)ccc5c4)C3)CC2)c(O)c1 ZINC000043066982 562645432 /nfs/dbraw/zinc/64/54/32/562645432.db2.gz HYNMLEFKVAYGCJ-RUZDIDTESA-N 1 0 517.601 4.246 1 0 KIAFRO C[NH+](C)CCOc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO ZINC000043074917 562645643 /nfs/dbraw/zinc/64/56/43/562645643.db2.gz UPRWKJZEUOZNDD-UHFFFAOYSA-N 1 0 509.550 4.317 1 0 KIAFRO C[N@@H+]1CCC[C@H](COc2ccc(CCNC(=O)c3ccc(Br)o3)cc2Br)C1 ZINC000043079496 562645775 /nfs/dbraw/zinc/64/57/75/562645775.db2.gz GALIMZYQAGRPHT-HNNXBMFYSA-N 1 0 500.231 4.498 1 0 KIAFRO C[N@@H+]1CCC[C@@H](COc2ccc(CCNC(=O)c3ccc(Br)o3)cc2Br)C1 ZINC000043079500 562645824 /nfs/dbraw/zinc/64/58/24/562645824.db2.gz GALIMZYQAGRPHT-OAHLLOKOSA-N 1 0 500.231 4.498 1 0 KIAFRO C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(OCC[NH+](C)C)cc1Cl ZINC000043080285 562645828 /nfs/dbraw/zinc/64/58/28/562645828.db2.gz YARQGMNXAANHIE-OAHLLOKOSA-N 1 0 523.980 4.338 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2cc(F)cc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000043101474 562645962 /nfs/dbraw/zinc/64/59/62/562645962.db2.gz QOSMEMHKXNNIGG-SSEXGKCCSA-N 1 0 639.831 4.069 1 0 in-man KIAFRO COc1cc2c(cc1OCCC[NH+]1CCN(CCCN3C(=O)c4cccc5cccc(c54)C3=O)CC1)N=C[C@@H]1CCCN1C2=O ZINC000043103410 562645969 /nfs/dbraw/zinc/64/59/69/562645969.db2.gz PPGCPZIPOKXIFZ-VWLOTQADSA-N 1 0 609.727 4.242 1 0 KIAFRO COc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1-c1ccccc1C ZINC000043128389 562646311 /nfs/dbraw/zinc/64/63/11/562646311.db2.gz MISJXJNFFYOIPX-UHFFFAOYSA-N 1 0 518.643 4.127 1 0 KIAFRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cc2[nH]nc(NC(=O)c3ccc(N4CCOCC4)cc3)c2s1 ZINC000043132736 562646324 /nfs/dbraw/zinc/64/63/24/562646324.db2.gz ORWIYCURPDKSBI-XMMPIXPASA-N 1 0 544.681 4.280 1 0 in-vitro KIAFRO CC[NH+](CC)CCN(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc2ccccc21 ZINC000043152351 562646401 /nfs/dbraw/zinc/64/64/01/562646401.db2.gz ZVULMJYRVAVKCP-UHFFFAOYSA-N 1 0 578.779 4.400 1 0 KIAFRO C[NH+]1CCN(CCOc2ccc3c(c2)Nc2c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn2CC3)CC1 ZINC000043152603 562646455 /nfs/dbraw/zinc/64/64/55/562646455.db2.gz QHTXVJNMARVDIB-UHFFFAOYSA-N 1 0 538.652 4.367 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH+](C)C)ncnc2Nc1cc(Cl)c(Br)cc1F ZINC000043153185 562646459 /nfs/dbraw/zinc/64/64/59/562646459.db2.gz PNENUMJQDWNJEW-UHFFFAOYSA-N 1 0 565.831 4.110 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH+](C)C)ncnc2Nc1ccc(Br)c(Cl)c1F ZINC000043153186 562646445 /nfs/dbraw/zinc/64/64/45/562646445.db2.gz FQIQGTLQUPPSRD-UHFFFAOYSA-N 1 0 565.831 4.110 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OC[C@@H](C)NC(=O)C[NH+](C)C)ncnc2Nc1ccc(Br)c(Cl)c1F ZINC000043153191 562646420 /nfs/dbraw/zinc/64/64/20/562646420.db2.gz GRBIBILPWGFKCS-CYBMUJFWSA-N 1 0 579.858 4.498 1 0 KIAFRO CC[NH+]1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 ZINC000043153951 562646470 /nfs/dbraw/zinc/64/64/70/562646470.db2.gz ZCTNRDFMOMOCAX-HSZRJFAPSA-N 1 0 612.774 4.003 1 0 KIAFRO COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CC[NH+](C(C)C)CC4)c3C2=O)cc1OC ZINC000043153953 562646506 /nfs/dbraw/zinc/64/65/06/562646506.db2.gz IFBYVMFECJDESG-XMMPIXPASA-N 1 0 626.801 4.392 1 0 KIAFRO CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC[N@H+](CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000043170094 562646526 /nfs/dbraw/zinc/64/65/26/562646526.db2.gz GLQLDUWYXJEMIN-DHUJRADRSA-N 1 0 634.716 4.204 1 0 KIAFRO COCc1cc(OC[C@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)ccc1O ZINC000043197313 562646803 /nfs/dbraw/zinc/64/68/03/562646803.db2.gz HPTKHKFFMSMJTM-JOCHJYFZSA-N 1 0 520.655 4.209 1 0 KIAFRO COCc1cc(OC[C@@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)ccc1O ZINC000043197314 562646810 /nfs/dbraw/zinc/64/68/10/562646810.db2.gz HPTKHKFFMSMJTM-QFIPXVFZSA-N 1 0 520.655 4.209 1 0 KIAFRO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000043197874 562646799 /nfs/dbraw/zinc/64/67/99/562646799.db2.gz CEZGZNAIXRROPI-MHZLTWQESA-N 1 0 527.691 4.158 1 0 KIAFRO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000043197875 562646814 /nfs/dbraw/zinc/64/68/14/562646814.db2.gz CEZGZNAIXRROPI-HHHXNRCGSA-N 1 0 527.691 4.158 1 0 KIAFRO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(CCN(C(C)C)C3=O)C2)CC1 ZINC000043197878 562646806 /nfs/dbraw/zinc/64/68/06/562646806.db2.gz LIZCFBCVBWOYFX-NDEPHWFRSA-N 1 0 540.734 4.074 1 0 KIAFRO O=C(/C=C/C[N@@H+]1CCCOCC1)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1 ZINC000043203717 562646939 /nfs/dbraw/zinc/64/69/39/562646939.db2.gz RWLIEDPJUCGAIH-HNQUOIGGSA-N 1 0 502.015 4.391 1 0 KIAFRO CC(C)(CN1CCOCC1)[NH2+]C/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1 ZINC000043203718 562646938 /nfs/dbraw/zinc/64/69/38/562646938.db2.gz YAZVLKFUKNILLX-ONEGZZNKSA-N 1 0 559.111 4.369 1 0 KIAFRO COCCNc1cc(N2CC[NH+](C)CC2)ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc21 ZINC000043204148 562646992 /nfs/dbraw/zinc/64/69/92/562646992.db2.gz ICYGLDQWNJHCEE-UHFFFAOYSA-N 1 0 534.611 4.494 1 0 KIAFRO C[C@H](C(=O)NCCC[NH2+]CCCC[NH3+])[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000043504224 562648718 /nfs/dbraw/zinc/64/87/18/562648718.db2.gz LDSFGRNESZQSPK-VHTHQRKJSA-N 1 0 553.810 4.224 1 0 KIAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(C(C)(C)C)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523748 562648843 /nfs/dbraw/zinc/64/88/43/562648843.db2.gz VFRYARUWEZEMMO-JGCGQSQUSA-N 1 0 587.675 4.269 1 0 KIAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(C(C)(C)C)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523751 562648850 /nfs/dbraw/zinc/64/88/50/562648850.db2.gz VFRYARUWEZEMMO-YTTGMZPUSA-N 1 0 587.675 4.269 1 0 KIAFRO C[N@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(C(C)(C)C)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523959 562648893 /nfs/dbraw/zinc/64/88/93/562648893.db2.gz LSWLKAFCGMFKJA-MGBGTMOVSA-N 1 0 615.685 4.104 1 0 KIAFRO C[N@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(C(C)(C)C)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523962 562648883 /nfs/dbraw/zinc/64/88/83/562648883.db2.gz LSWLKAFCGMFKJA-XIFFEERXSA-N 1 0 615.685 4.104 1 0 KIAFRO Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCC[NH3+])c3Cl)c2n1 ZINC000043524112 562648918 /nfs/dbraw/zinc/64/89/18/562648918.db2.gz ROSOSFPKUNKXOQ-UHFFFAOYSA-N 1 0 553.512 4.259 1 0 KIAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCN4CC[NH+](C)CC4)c3Cl)c2n1 ZINC000043524263 562648994 /nfs/dbraw/zinc/64/89/94/562648994.db2.gz MSZISYOKSODETJ-UHFFFAOYSA-N 1 0 622.619 4.240 1 0 KIAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NC4CC[NH2+]CC4)c3Cl)c2n1 ZINC000043524474 562649043 /nfs/dbraw/zinc/64/90/43/562649043.db2.gz RTMKEWQYEOAKOS-UHFFFAOYSA-N 1 0 565.523 4.354 1 0 KIAFRO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000043648929 562650576 /nfs/dbraw/zinc/65/05/76/562650576.db2.gz OJDXUXAGHXAGNR-FQLXRVMXSA-N 1 0 557.658 4.068 1 0 KIAFRO CC[NH+]1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)nn2)CC1 ZINC000043649121 562650568 /nfs/dbraw/zinc/65/05/68/562650568.db2.gz CCUFPIJWVLLKML-KYJUHHDHSA-N 1 0 530.717 4.480 1 0 KIAFRO C/C=C(\C)C(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H]2CC[C@H]3C4=CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1O ZINC000043910383 562651154 /nfs/dbraw/zinc/65/11/54/562651154.db2.gz MRIVWKAJWKKYCM-WSURCRKTSA-N 1 0 500.724 4.479 1 0 KIAFRO CC(C)Oc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CC[NH+](CC4CCOCC4)CC3)CCCC2)cc1 ZINC000044005038 562651392 /nfs/dbraw/zinc/65/13/92/562651392.db2.gz OHABWXWFUOMOHY-MGBGTMOVSA-N 1 0 632.846 4.499 1 0 KIAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]21 ZINC000044031708 562651568 /nfs/dbraw/zinc/65/15/68/562651568.db2.gz PGABGZVCHGWUKS-JDIHBLRXSA-N 1 0 590.768 4.356 1 0 KIAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC000044031710 562651563 /nfs/dbraw/zinc/65/15/63/562651563.db2.gz PGABGZVCHGWUKS-ZWDYZTTJSA-N 1 0 590.768 4.356 1 0 KIAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC000044031712 562651547 /nfs/dbraw/zinc/65/15/47/562651547.db2.gz PGABGZVCHGWUKS-NXVJRICRSA-N 1 0 590.768 4.356 1 0 KIAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC000044031714 562651576 /nfs/dbraw/zinc/65/15/76/562651576.db2.gz PGABGZVCHGWUKS-ISSPZXTRSA-N 1 0 590.768 4.356 1 0 KIAFRO C[N@H+](Cc1ccc(NC(=O)c2ccc(I)cc2)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044031889 562651647 /nfs/dbraw/zinc/65/16/47/562651647.db2.gz LCWQSHGROBERNL-AREMUKBSSA-N 1 0 603.411 4.433 1 0 KIAFRO C[N@H+](Cc1ccc(NC(=O)c2ccc(I)cc2)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044031891 562651663 /nfs/dbraw/zinc/65/16/63/562651663.db2.gz LCWQSHGROBERNL-SANMLTNESA-N 1 0 603.411 4.433 1 0 KIAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCC[NH2+]CC4)c3Cl)c2n1 ZINC000044031906 562651653 /nfs/dbraw/zinc/65/16/53/562651653.db2.gz GHQRAUZTCJOECF-UHFFFAOYSA-N 1 0 565.523 4.308 1 0 KIAFRO CN(C(=O)c1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC000044031947 562651673 /nfs/dbraw/zinc/65/16/73/562651673.db2.gz UIWRFGJWARXTLY-CONSDPRKSA-N 1 0 603.789 4.288 1 0 KIAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000044031988 562651738 /nfs/dbraw/zinc/65/17/38/562651738.db2.gz MUNTURDYKHRDQD-HPENDQLSSA-N 1 0 578.757 4.119 1 0 KIAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000044031990 562651705 /nfs/dbraw/zinc/65/17/05/562651705.db2.gz MUNTURDYKHRDQD-OOCAJSIRSA-N 1 0 578.757 4.119 1 0 KIAFRO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000044032038 562651724 /nfs/dbraw/zinc/65/17/24/562651724.db2.gz RNQWKUPWOSHJNX-HPENDQLSSA-N 1 0 578.757 4.200 1 0 KIAFRO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000044032040 562651721 /nfs/dbraw/zinc/65/17/21/562651721.db2.gz RNQWKUPWOSHJNX-OOCAJSIRSA-N 1 0 578.757 4.200 1 0 KIAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCC[NH3+])c3Cl)c2n1 ZINC000044032059 562651743 /nfs/dbraw/zinc/65/17/43/562651743.db2.gz AYUDNBLXRIFKSX-UHFFFAOYSA-N 1 0 553.512 4.341 1 0 KIAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000044053165 562651935 /nfs/dbraw/zinc/65/19/35/562651935.db2.gz MRDPHHHKUQUPGO-VTWAVXMNSA-N 1 0 590.768 4.071 1 0 KIAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000044053168 562651931 /nfs/dbraw/zinc/65/19/31/562651931.db2.gz MRDPHHHKUQUPGO-CUTKCQJKSA-N 1 0 590.768 4.071 1 0 KIAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000044053171 562651938 /nfs/dbraw/zinc/65/19/38/562651938.db2.gz MRDPHHHKUQUPGO-GAKMOYSYSA-N 1 0 590.768 4.071 1 0 KIAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000044053509 562652023 /nfs/dbraw/zinc/65/20/23/562652023.db2.gz SBSQPDMHSFEPKY-ZWXJPIIXSA-N 1 0 578.757 4.261 1 0 KIAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000044138319 562652449 /nfs/dbraw/zinc/65/24/49/562652449.db2.gz JJWXZYGMUWBMKS-ZWXJPIIXSA-N 1 0 578.757 4.215 1 0 KIAFRO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000044265197 562652770 /nfs/dbraw/zinc/65/27/70/562652770.db2.gz BJUSMZUGKWCACY-QAXCHELISA-N 1 0 578.757 4.343 1 0 KIAFRO [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000044265201 562652753 /nfs/dbraw/zinc/65/27/53/562652753.db2.gz BJUSMZUGKWCACY-IWWXRALLSA-N 1 0 578.757 4.343 1 0 KIAFRO C[NH2+]CC(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)c1 ZINC000044280940 562652983 /nfs/dbraw/zinc/65/29/83/562652983.db2.gz SBTUGPDRXPPQIM-UHFFFAOYSA-N 1 0 603.598 4.189 1 0 KIAFRO CCOc1ccccc1OCCN1CCN(c2cnn(CCC[NH+]3CCN(c4ccccc4OCC)CC3)c(=O)c2Cl)CC1 ZINC000044281207 562653059 /nfs/dbraw/zinc/65/30/59/562653059.db2.gz CFXKJUJWAZDAGL-UHFFFAOYSA-N 1 0 625.214 4.107 1 0 KIAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000044281502 562653141 /nfs/dbraw/zinc/65/31/41/562653141.db2.gz LZMWGGSBQLHRJA-UHFFFAOYSA-N 1 0 597.160 4.232 1 0 KIAFRO CSc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CC[NH+](CC4CCOCC4)CC3)CCCC2)cc1 ZINC000044281765 562653261 /nfs/dbraw/zinc/65/32/61/562653261.db2.gz YGYBZZOGZBHMJS-WJOKGBTCSA-N 1 0 620.860 4.433 1 0 KIAFRO COc1cccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CC[NH+](CC4CCOCC4)CC3)CCCC2)c1 ZINC000044305417 562653466 /nfs/dbraw/zinc/65/34/66/562653466.db2.gz OKBAFCQNMCNFRD-YETSWHHASA-N 1 0 630.830 4.120 1 0 KIAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc2c1CCCCO2)c1ccc(F)cc1 ZINC000044305782 562653549 /nfs/dbraw/zinc/65/35/49/562653549.db2.gz WCHANTAGLXCTLE-HAQLSYKPSA-N 1 0 559.682 4.486 1 0 KIAFRO O=C(/C=C/c1cccc(F)c1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CC[NH+](CC3CCOCC3)CC2)CCCC1 ZINC000044305984 562653621 /nfs/dbraw/zinc/65/36/21/562653621.db2.gz KKZRKZNMXQNBRI-AVUDXHPJSA-N 1 0 618.794 4.250 1 0 KIAFRO Cc1ccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CC[NH+](CC4CCOCC4)CC3)CCCC2)cc1 ZINC000044306223 562653664 /nfs/dbraw/zinc/65/36/64/562653664.db2.gz SPLFUYLAINTXNK-QXORNKNPSA-N 1 0 614.831 4.420 1 0 KIAFRO O=C(/C=C/c1ccccc1F)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CC[NH+](CC3CCOCC3)CC2)CCCC1 ZINC000044306265 562653680 /nfs/dbraw/zinc/65/36/80/562653680.db2.gz WURMPOYHFMUISV-JWJPGYJNSA-N 1 0 618.794 4.250 1 0 KIAFRO CCOc1ccccc1OCCN1CCN(c2cnn(CCCC[NH+]3CCN(c4ccccc4OCC)CC3)c(=O)c2Cl)CC1 ZINC000044306451 562653759 /nfs/dbraw/zinc/65/37/59/562653759.db2.gz FPWKKWDHVZSTBB-UHFFFAOYSA-N 1 0 639.241 4.498 1 0 KIAFRO Cc1ccccc1/C=C/C(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CC[NH+](CC3CCOCC3)CC2)CCCC1 ZINC000044306723 562653830 /nfs/dbraw/zinc/65/38/30/562653830.db2.gz AHBIKCVHRSENAB-QXORNKNPSA-N 1 0 614.831 4.420 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044306776 562653864 /nfs/dbraw/zinc/65/38/64/562653864.db2.gz OTUDEOHGWREBHB-HHHXNRCGSA-N 1 0 637.225 4.250 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044306782 562653855 /nfs/dbraw/zinc/65/38/55/562653855.db2.gz OTUDEOHGWREBHB-MHZLTWQESA-N 1 0 637.225 4.250 1 0 KIAFRO C[NH+](C)CCNC(=O)[C@@H]1[C@@H]2c3cccc(=O)n3C[C@H]([C@H]1CO)N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000044307052 562653928 /nfs/dbraw/zinc/65/39/28/562653928.db2.gz OLLOCGKHFIQEMT-GJPOJPNFSA-N 1 0 590.149 4.138 1 0 KIAFRO CCCC[C@@H]1CN(S(=O)(=O)c2ccccn2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044307116 562653934 /nfs/dbraw/zinc/65/39/34/562653934.db2.gz QVRQWLWUNXYUTA-AREMUKBSSA-N 1 0 582.815 4.466 1 0 KIAFRO CCCC[C@H]1CN(S(=O)(=O)c2ccccn2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044307120 562653937 /nfs/dbraw/zinc/65/39/37/562653937.db2.gz QVRQWLWUNXYUTA-SANMLTNESA-N 1 0 582.815 4.466 1 0 KIAFRO COc1ccc(CC[C@H](O)c2ccccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CC[NH3+])CC2)cc1 ZINC000044307287 562653990 /nfs/dbraw/zinc/65/39/90/562653990.db2.gz WDKZJHHJSVBHLV-DGPALRBDSA-N 1 0 613.586 4.393 1 0 KIAFRO COc1ccc(CC[C@@H](O)c2ccccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CC[NH3+])CC2)cc1 ZINC000044307292 562653968 /nfs/dbraw/zinc/65/39/68/562653968.db2.gz WDKZJHHJSVBHLV-PQHLKRTFSA-N 1 0 613.586 4.393 1 0 KIAFRO Cc1cccc(/C=C/C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CC[NH+](CC4CCOCC4)CC3)CCCC2)c1 ZINC000044308293 562654285 /nfs/dbraw/zinc/65/42/85/562654285.db2.gz YXAJZLPBUIOCEH-YETSWHHASA-N 1 0 614.831 4.420 1 0 KIAFRO CCn1nnc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000044350985 562654473 /nfs/dbraw/zinc/65/44/73/562654473.db2.gz WJVIKTWKVRMSDW-RPLLCQBOSA-N 1 0 594.638 4.089 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000044351327 562654609 /nfs/dbraw/zinc/65/46/09/562654609.db2.gz NROFHXQHWGYFIF-UHFFFAOYSA-N 1 0 597.160 4.233 1 0 KIAFRO CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C(C)(C)[NH3+])CC1 ZINC000044351333 562654626 /nfs/dbraw/zinc/65/46/26/562654626.db2.gz QFLBFNKELTVWCI-HSZRJFAPSA-N 1 0 549.543 4.114 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCCCn2ncc(N3CCN(CCOc4ccccc4OC)CC3)c(Cl)c2=O)CC1 ZINC000044351487 562654670 /nfs/dbraw/zinc/65/46/70/562654670.db2.gz WUABEZUVNYJZHI-UHFFFAOYSA-N 1 0 639.241 4.498 1 0 KIAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044351641 562654791 /nfs/dbraw/zinc/65/47/91/562654791.db2.gz VUQADCUHTFESAZ-HHHXNRCGSA-N 1 0 637.225 4.248 1 0 KIAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044351643 562654757 /nfs/dbraw/zinc/65/47/57/562654757.db2.gz VUQADCUHTFESAZ-MHZLTWQESA-N 1 0 637.225 4.248 1 0 KIAFRO Cc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000044351693 562654830 /nfs/dbraw/zinc/65/48/30/562654830.db2.gz ZJATUHGFXPEBQJ-HHHXNRCGSA-N 1 0 576.145 4.242 1 0 KIAFRO O=C(/C=C/c1ccc(F)cc1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CC[NH+](CC3CCOCC3)CC2)CCCC1 ZINC000044351826 562654899 /nfs/dbraw/zinc/65/48/99/562654899.db2.gz DVVSJZVXJLHMOI-AYOQVULOSA-N 1 0 618.794 4.250 1 0 KIAFRO COc1cc(/C=C/C(=O)O[C@H]2C[C@@H]3C[C@H](OC(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)C[C@H]2[N@@H+]3C)cc(OC)c1OC ZINC000044351829 562654911 /nfs/dbraw/zinc/65/49/11/562654911.db2.gz QRMASVGVVOOIOZ-WDWIJTSISA-N 1 0 597.661 4.155 1 0 KIAFRO C[NH+](C)CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(=O)cccc3[C@H]1N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000044352184 562655056 /nfs/dbraw/zinc/65/50/56/562655056.db2.gz OLLOCGKHFIQEMT-SFNAGVRGSA-N 1 0 590.149 4.138 1 0 KIAFRO CCCC[C@@H]1CN(S(=O)(=O)C2CCOCC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044352481 562655155 /nfs/dbraw/zinc/65/51/55/562655155.db2.gz TWOVADZUAGKLBH-AREMUKBSSA-N 1 0 589.847 4.191 1 0 KIAFRO CCCC[C@H]1CN(S(=O)(=O)C2CCOCC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044352483 562655176 /nfs/dbraw/zinc/65/51/76/562655176.db2.gz TWOVADZUAGKLBH-SANMLTNESA-N 1 0 589.847 4.191 1 0 KIAFRO CC(C)C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000044352643 562655230 /nfs/dbraw/zinc/65/52/30/562655230.db2.gz UYENOMPDIPBYNL-QIDLSXJSSA-N 1 0 575.581 4.449 1 0 KIAFRO CC(C)C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000044352646 562655233 /nfs/dbraw/zinc/65/52/33/562655233.db2.gz UYENOMPDIPBYNL-DUFKRMHYSA-N 1 0 575.581 4.449 1 0 KIAFRO CC(C)C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000044352648 562655244 /nfs/dbraw/zinc/65/52/44/562655244.db2.gz UYENOMPDIPBYNL-MDBQKXLBSA-N 1 0 575.581 4.449 1 0 KIAFRO CC(C)C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000044352650 562655224 /nfs/dbraw/zinc/65/52/24/562655224.db2.gz UYENOMPDIPBYNL-QBMXVRPASA-N 1 0 575.581 4.449 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044358316 562655302 /nfs/dbraw/zinc/65/53/02/562655302.db2.gz YUBKGGQNHRNCBQ-HHHXNRCGSA-N 1 0 637.225 4.250 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044358326 562655306 /nfs/dbraw/zinc/65/53/06/562655306.db2.gz YUBKGGQNHRNCBQ-MHZLTWQESA-N 1 0 637.225 4.250 1 0 KIAFRO CCc1c2c(nc3ccc(OC(=O)N4CCC([NH+]5CCCCC5)CC4)cc31)[C@H]1CC3=C(COC(=O)[C@]3(O)CC)C(=O)N1C2 ZINC000044358938 562655392 /nfs/dbraw/zinc/65/53/92/562655392.db2.gz SQTUXIMHCVISOF-YDYNHKSESA-N 1 0 588.705 4.028 1 0 KIAFRO CCc1c2c(nc3ccc(OC(=O)N4CCC([NH+]5CCCCC5)CC4)cc31)[C@@H]1CC3=C(COC(=O)[C@]3(O)CC)C(=O)N1C2 ZINC000044358943 562655404 /nfs/dbraw/zinc/65/54/04/562655404.db2.gz SQTUXIMHCVISOF-UVMMSNCQSA-N 1 0 588.705 4.028 1 0 KIAFRO COc1ccccc1C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000044359088 562655410 /nfs/dbraw/zinc/65/54/10/562655410.db2.gz UNBJYBWWOZWYAW-IAPPQJPRSA-N 1 0 599.559 4.003 1 0 KIAFRO COc1ccccc1C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000044359093 562655430 /nfs/dbraw/zinc/65/54/30/562655430.db2.gz UNBJYBWWOZWYAW-IXCJQBJRSA-N 1 0 599.559 4.003 1 0 KIAFRO COc1cccc(C[C@H](O)c2ccccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CC[NH3+])CC2)c1 ZINC000044359099 562655445 /nfs/dbraw/zinc/65/54/45/562655445.db2.gz KFQPQAFCVYIRJY-PXJZQJOASA-N 1 0 599.559 4.003 1 0 KIAFRO COc1cccc(C[C@@H](O)c2ccccc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CC[NH3+])CC2)c1 ZINC000044359104 562655435 /nfs/dbraw/zinc/65/54/35/562655435.db2.gz KFQPQAFCVYIRJY-XRKRLSELSA-N 1 0 599.559 4.003 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044360033 562655554 /nfs/dbraw/zinc/65/55/54/562655554.db2.gz PKPFNTFRQQQTRZ-IADCTJSHSA-N 1 0 553.769 4.382 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044360040 562655557 /nfs/dbraw/zinc/65/55/57/562655557.db2.gz PKPFNTFRQQQTRZ-BTYSJIOQSA-N 1 0 553.769 4.382 1 0 KIAFRO CCCC[C@@H]1CN(S(=O)(=O)C2CCN(C(C)=O)CC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044360086 562655551 /nfs/dbraw/zinc/65/55/51/562655551.db2.gz XRZWBTRQFZHJKL-MUUNZHRXSA-N 1 0 630.900 4.023 1 0 KIAFRO CCCC[C@H]1CN(S(=O)(=O)C2CCN(C(C)=O)CC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044360091 562655550 /nfs/dbraw/zinc/65/55/50/562655550.db2.gz XRZWBTRQFZHJKL-NDEPHWFRSA-N 1 0 630.900 4.023 1 0 KIAFRO [NH3+][C@@H](Cn1c(=O)c(-c2ccc(C[NH2+]CCC(=O)[O-])cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000044360181 562655562 /nfs/dbraw/zinc/65/55/62/562655562.db2.gz YPZFFAQSKANNPU-SANMLTNESA-N 1 0 584.570 4.148 1 0 KIAFRO CCOc1ccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CC[NH+](CC4CCOCC4)CC3)CCCC2)cc1 ZINC000044360294 562655552 /nfs/dbraw/zinc/65/55/52/562655552.db2.gz QYPYUHLPOICINV-JGCGQSQUSA-N 1 0 618.819 4.110 1 0 KIAFRO CC(C)COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000044361037 562655672 /nfs/dbraw/zinc/65/56/72/562655672.db2.gz CLKRLHFNFDDTQF-UHSQPCAPSA-N 1 0 574.678 4.034 1 0 KIAFRO CC(C)COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000044361044 562655680 /nfs/dbraw/zinc/65/56/80/562655680.db2.gz CLKRLHFNFDDTQF-WNJJXGMVSA-N 1 0 574.678 4.034 1 0 KIAFRO CN1CC[NH+](CCCn2nnc3c2c(Br)c(Br)c(Br)c3Br)CC1 ZINC000044361225 562655721 /nfs/dbraw/zinc/65/57/21/562655721.db2.gz GUFUTNSTANSZLU-UHFFFAOYSA-N 1 0 574.941 4.119 1 0 KIAFRO C[NH+](C)CCNC(=O)CCn1c2ccc(O)cc2c2c1cc(-c1c(Cl)cccc1Cl)c1c2C(=O)NC1=O ZINC000044386746 562655983 /nfs/dbraw/zinc/65/59/83/562655983.db2.gz BNQBDBVYIMKEKS-UHFFFAOYSA-N 1 0 539.419 4.425 1 0 KIAFRO CCOP(=O)(CCCN1CC[NH+](CCCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)CC1)OCC ZINC000044387002 562656010 /nfs/dbraw/zinc/65/60/10/562656010.db2.gz AJGITESNKFVRAC-QHCPKHFHSA-N 1 0 564.664 4.449 1 0 KIAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc2c1CCCO2)c1ccc(F)cc1 ZINC000044387948 562656225 /nfs/dbraw/zinc/65/62/25/562656225.db2.gz BOCRENYPEJKZOM-IEXUNWISSA-N 1 0 545.655 4.096 1 0 KIAFRO C[C@H](NC(=O)[C@H](CCCC[NH3+])N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 ZINC000044388235 562656296 /nfs/dbraw/zinc/65/62/96/562656296.db2.gz CJQHVGHBOCFMAH-CZXVKTRTSA-N 1 0 565.718 4.155 1 0 KIAFRO CCOP(=O)(CC[NH+]1CCN(CCCCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)CC1)OCC ZINC000044388282 562656311 /nfs/dbraw/zinc/65/63/11/562656311.db2.gz COOVHJHQCPOPQQ-QHCPKHFHSA-N 1 0 564.664 4.449 1 0 KIAFRO Nc1[nH]c(CCCNC(=O)c2cc(Br)c(Br)n2-c2ccc(Br)cc2)c[nH+]1 ZINC000044388381 562656341 /nfs/dbraw/zinc/65/63/41/562656341.db2.gz CGRIZHNPROGCHS-UHFFFAOYSA-N 1 0 546.061 4.433 1 0 KIAFRO COc1cccc(-c2nn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000044404243 562656433 /nfs/dbraw/zinc/65/64/33/562656433.db2.gz MSAMWXAZPNGSOJ-FQEVSTJZSA-N 1 0 532.469 4.126 1 0 KIAFRO C[C@@H](NC(=O)c1cc2c(c(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]C3CC3)c1)CCCCO2)c1ccccc1 ZINC000044405020 562656591 /nfs/dbraw/zinc/65/65/91/562656591.db2.gz PPVOCDQWTXFBHU-ZDERHKTGSA-N 1 0 541.692 4.347 1 0 KIAFRO O=C(Cc1nccn1Cc1ccc(Br)cc1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000044405439 562656660 /nfs/dbraw/zinc/65/66/60/562656660.db2.gz WQVVILMKQWJJNF-SANMLTNESA-N 1 0 563.496 4.447 1 0 KIAFRO CC(C)C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C(C)(C)[NH3+])CC1 ZINC000044417526 562657125 /nfs/dbraw/zinc/65/71/25/562657125.db2.gz CUUFUHLBAFFVTP-NOZRDPDXSA-N 1 0 549.543 4.186 1 0 KIAFRO CC(C)C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C(C)(C)[NH3+])CC1 ZINC000044417530 562657132 /nfs/dbraw/zinc/65/71/32/562657132.db2.gz CUUFUHLBAFFVTP-ILBGXUMGSA-N 1 0 549.543 4.186 1 0 KIAFRO C[NH2+]C(C)(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@@H](O)CC(C)C)CC1 ZINC000044417627 562657157 /nfs/dbraw/zinc/65/71/57/562657157.db2.gz NHCSMYADIOXPMH-RSXGOPAZSA-N 1 0 563.570 4.447 1 0 KIAFRO C[NH2+]C(C)(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@H](O)CC(C)C)CC1 ZINC000044417631 562657146 /nfs/dbraw/zinc/65/71/46/562657146.db2.gz NHCSMYADIOXPMH-AOYPEHQESA-N 1 0 563.570 4.447 1 0 KIAFRO CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C(C)(C)[NH3+])CC1 ZINC000044417697 562657151 /nfs/dbraw/zinc/65/71/51/562657151.db2.gz VSIYVDQKTKABRE-HSZRJFAPSA-N 1 0 547.527 4.336 1 0 KIAFRO [NH3+][C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000044417705 562657135 /nfs/dbraw/zinc/65/71/35/562657135.db2.gz DYOLSOGIVMWRPK-VMPREFPWSA-N 1 0 524.617 4.461 1 0 KIAFRO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCOc1cccc([C@H](C)N3CCOCC3)c1)C2 ZINC000044417710 562657140 /nfs/dbraw/zinc/65/71/40/562657140.db2.gz RILODUKPHSUGEW-WZJSRLNKSA-N 1 0 534.697 4.473 1 0 KIAFRO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCOc1cccc([C@@H](C)N3CCOCC3)c1)C2 ZINC000044417714 562657164 /nfs/dbraw/zinc/65/71/64/562657164.db2.gz RILODUKPHSUGEW-RDLSDULQSA-N 1 0 534.697 4.473 1 0 KIAFRO COc1c(Nc2nc3[nH]ccc3c(Nc3cccc(F)c3C(N)=O)n2)ccc(N2CC[NH+](C(C)C)CC2)c1F ZINC000044417869 562657224 /nfs/dbraw/zinc/65/72/24/562657224.db2.gz AKNQYBBZYGYUSZ-UHFFFAOYSA-N 1 0 536.587 4.361 1 0 KIAFRO C[NH2+][C@H]1CCN(c2cnn(Cc3cccc(NC(=O)c4ccc(-c5ccc(OC)nc5)cc4)c3C)c(=O)c2Cl)C1 ZINC000044418722 562657324 /nfs/dbraw/zinc/65/73/24/562657324.db2.gz GWYXLDVXMGOIKD-DEOSSOPVSA-N 1 0 559.070 4.374 1 0 KIAFRO C[NH2+][C@@H]1CCN(c2cnn(Cc3cccc(NC(=O)c4ccc(-c5ccc(OC)nc5)cc4)c3C)c(=O)c2Cl)C1 ZINC000044418728 562657329 /nfs/dbraw/zinc/65/73/29/562657329.db2.gz GWYXLDVXMGOIKD-XMMPIXPASA-N 1 0 559.070 4.374 1 0 KIAFRO C[NH2+]CCNc1cnn(Cc2cccc(NC(=O)c3ccc(-c4ccc(OC)nc4)cc3)c2C)c(=O)c1Cl ZINC000044418821 562657389 /nfs/dbraw/zinc/65/73/89/562657389.db2.gz OGSTUOJFXIAEAY-UHFFFAOYSA-N 1 0 533.032 4.208 1 0 KIAFRO C[C@@H](NC(=O)[C@H](CCCC[NH3+])N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 ZINC000044419266 562657450 /nfs/dbraw/zinc/65/74/50/562657450.db2.gz CJQHVGHBOCFMAH-RUVNJYGYSA-N 1 0 565.718 4.155 1 0 KIAFRO COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCC[NH2+]CC5)c(Cl)c4=O)c3C)cc2)cn1 ZINC000044430383 562657476 /nfs/dbraw/zinc/65/74/76/562657476.db2.gz CFQMBBYXJVWGFE-UHFFFAOYSA-N 1 0 559.070 4.376 1 0 KIAFRO COc1cc(N2CC[NH+](C(C)C)CC2)c(F)cc1Nc1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1 ZINC000044430451 562657521 /nfs/dbraw/zinc/65/75/21/562657521.db2.gz OLYYDZVMDBGTBZ-UHFFFAOYSA-N 1 0 536.587 4.361 1 0 KIAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc2c1CCCCO2)c1ccccc1 ZINC000044430573 562657559 /nfs/dbraw/zinc/65/75/59/562657559.db2.gz LXIQBYCJDRSMAU-ZDERHKTGSA-N 1 0 541.692 4.347 1 0 KIAFRO O=C(/N=c1\sc(CCNc2ncnc3ccsc32)cn1COC(=O)C1CC[NH2+]CC1)Nc1cccc(Cl)c1 ZINC000044430623 562657610 /nfs/dbraw/zinc/65/76/10/562657610.db2.gz DUOPHZXYHAXMEH-MKCFTUBBSA-N 1 0 572.116 4.495 1 0 KIAFRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](NCc2ccc(Cl)c(Cl)c2)C1 ZINC000044430977 562657707 /nfs/dbraw/zinc/65/77/07/562657707.db2.gz GHFPSKUEUUDFIE-BVYCBKJFSA-N 1 0 545.433 4.499 1 0 KIAFRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](NCc2ccc(Cl)c(Cl)c2)C1 ZINC000044430981 562657717 /nfs/dbraw/zinc/65/77/17/562657717.db2.gz GHFPSKUEUUDFIE-STZQEDGTSA-N 1 0 545.433 4.499 1 0 KIAFRO CC[NH+](CC)CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN(C)C[C@@H](O)c3ccco3)oc21 ZINC000044431322 562657833 /nfs/dbraw/zinc/65/78/33/562657833.db2.gz WWCHHSKTBKQRTP-RUZDIDTESA-N 1 0 555.075 4.278 1 0 KIAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCNC(C)=O)c2cccc(Cl)c2)C1 ZINC000044460345 562657950 /nfs/dbraw/zinc/65/79/50/562657950.db2.gz PPGUIDOUTGLYCO-MAARLIENSA-N 1 0 521.146 4.424 1 0 in-vitro KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@]1(c2cccc(C(C)(C)C)c2)CCc2n[nH]cc2C1 ZINC000044683480 562657974 /nfs/dbraw/zinc/65/79/74/562657974.db2.gz BAILJXDQIBWAPX-GKRYNVPLSA-N 1 0 510.629 4.068 1 0 in-vitro KIAFRO COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)s1 ZINC000045186737 562658211 /nfs/dbraw/zinc/65/82/11/562658211.db2.gz JZZNHEHXXWKELA-UHFFFAOYSA-N 1 0 503.665 4.227 1 0 KIAFRO O=C(Nc1ccc(Cn2ncc(N3CCC[NH2+]CC3)c(Cl)c2=O)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000045186902 562658190 /nfs/dbraw/zinc/65/81/90/562658190.db2.gz JMEWAVXDAJDEDE-UHFFFAOYSA-N 1 0 520.943 4.408 1 0 KIAFRO C[NH+](C)CCCN1CCN(C(=O)c2cc3cc(-c4ccccc4)ccc3n2S(=O)(=O)c2ccccc2)CC1 ZINC000045187408 562658249 /nfs/dbraw/zinc/65/82/49/562658249.db2.gz AZCRYXASTAMLLA-UHFFFAOYSA-N 1 0 530.694 4.255 1 0 KIAFRO COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCCN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000045188857 562658319 /nfs/dbraw/zinc/65/83/19/562658319.db2.gz FLSKSNVAZNUDMO-JXMROGBWSA-N 1 0 513.082 4.091 1 0 KIAFRO COc1ccc(C[NH2+]C2CCN(C)CC2)cc1-c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000045189181 562658413 /nfs/dbraw/zinc/65/84/13/562658413.db2.gz CTGGBTZVTQHKRO-UHFFFAOYSA-N 1 0 509.672 4.033 1 0 KIAFRO COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CCN4CCC(CC[NH+](C)C)CC4)c3)nc2)cn1 ZINC000045190362 562658518 /nfs/dbraw/zinc/65/85/18/562658518.db2.gz OROCBRWBUSDYRO-UHFFFAOYSA-N 1 0 523.703 4.333 1 0 KIAFRO CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCCCC1)cc2N1CCCC1=O ZINC000045191521 562658575 /nfs/dbraw/zinc/65/85/75/562658575.db2.gz NJPXIXZEWFGYGP-LITSAYRRSA-N 1 0 516.686 4.412 1 0 KIAFRO COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)s1 ZINC000045191644 562658547 /nfs/dbraw/zinc/65/85/47/562658547.db2.gz FFNAKXKKBJBJPR-UHFFFAOYSA-N 1 0 511.713 4.055 1 0 KIAFRO COc1ccc2ccc(F)c(CC(=O)N3CCO[C@H](C[NH2+]Cc4cccc(-c5ccsc5)n4)C3)c2n1 ZINC000045192150 562658654 /nfs/dbraw/zinc/65/86/54/562658654.db2.gz QCXROWAISNKXHL-OAQYLSRUSA-N 1 0 506.603 4.066 1 0 KIAFRO COc1ccc2ccc(F)c(CC(=O)N3CCO[C@@H](C[NH2+]Cc4cccc(-c5ccsc5)n4)C3)c2n1 ZINC000045192152 562658611 /nfs/dbraw/zinc/65/86/11/562658611.db2.gz QCXROWAISNKXHL-NRFANRHFSA-N 1 0 506.603 4.066 1 0 KIAFRO CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCCCC1)cc2N1CCCC1=O ZINC000045192827 562658729 /nfs/dbraw/zinc/65/87/29/562658729.db2.gz ZSCPPZIRNSFDCQ-XTEPFMGCSA-N 1 0 516.686 4.481 1 0 KIAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)c4cccc(C(=O)c5ccccc5)c4)CC3)c2c1 ZINC000045193043 562658670 /nfs/dbraw/zinc/65/86/70/562658670.db2.gz OLXPCLPVEYZTDO-LJAQVGFWSA-N 1 0 509.606 4.402 1 0 KIAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(C)C)cc(N3CCCC3=O)c2)c1 ZINC000045195635 562658937 /nfs/dbraw/zinc/65/89/37/562658937.db2.gz QPGAFZQTHJTVFI-XZWHSSHBSA-N 1 0 529.681 4.437 1 0 KIAFRO COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)c(F)c1 ZINC000045195724 562658944 /nfs/dbraw/zinc/65/89/44/562658944.db2.gz ZZLVSOQYHSJFDZ-UHFFFAOYSA-N 1 0 523.674 4.132 1 0 KIAFRO COc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1Cn1cnc(N2CCC[NH2+]CC2)cc1=O ZINC000045196209 562658914 /nfs/dbraw/zinc/65/89/14/562658914.db2.gz NVVWFUUJSGXEGX-UHFFFAOYSA-N 1 0 524.625 4.411 1 0 KIAFRO COc1ccccc1CCNc1nc(N[C@@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc(C)[nH+]1 ZINC000045201182 562658986 /nfs/dbraw/zinc/65/89/86/562658986.db2.gz USZSUAGYWLLCGN-VWLOTQADSA-N 1 0 505.663 4.403 1 0 KIAFRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045201884 562659127 /nfs/dbraw/zinc/65/91/27/562659127.db2.gz CIGBDANQFZUDDM-QHCPKHFHSA-N 1 0 500.426 4.385 1 0 KIAFRO C[NH+](C)CCC1CCN(CCS(=O)(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)CC1 ZINC000045202191 562659090 /nfs/dbraw/zinc/65/90/90/562659090.db2.gz DKVVKVZUMPRTKN-UHFFFAOYSA-N 1 0 511.667 4.464 1 0 KIAFRO COc1ccc(C[NH2+]CCc2cccs2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)s1 ZINC000045210197 562659302 /nfs/dbraw/zinc/65/93/02/562659302.db2.gz NYAGQWMZMPKPHH-UHFFFAOYSA-N 1 0 505.731 4.192 1 0 KIAFRO COC(=O)c1ccc2[nH]c(-c3cc(OC)c(O)c(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3)nc2c1 ZINC000045210796 562659270 /nfs/dbraw/zinc/65/92/70/562659270.db2.gz RYAKIQNKSUWVBQ-UHFFFAOYSA-N 1 0 514.582 4.125 1 0 KIAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)c4ccc(C5(C(F)(F)F)N=N5)cc4)CC3)c2c1 ZINC000045226721 562659375 /nfs/dbraw/zinc/65/93/75/562659375.db2.gz SIOAHXJVHRHNDR-QHCPKHFHSA-N 1 0 513.520 4.352 1 0 KIAFRO CCOC(=O)CCc1cc(F)c(F)c(OC[C@H](O)C[NH2+]C(C)(C)[C@H](O)c2ccc3ccccc3c2)c1 ZINC000045227603 562659392 /nfs/dbraw/zinc/65/93/92/562659392.db2.gz DSIYDYJGHYSKKA-AJTFRIOCSA-N 1 0 501.570 4.455 1 0 KIAFRO CCOC(=O)CCc1cc(F)c(F)c(OC[C@H](O)C[NH2+]C(C)(C)[C@@H](O)c2ccc3ccccc3c2)c1 ZINC000045227606 562659400 /nfs/dbraw/zinc/65/94/00/562659400.db2.gz DSIYDYJGHYSKKA-AMGIVPHBSA-N 1 0 501.570 4.455 1 0 KIAFRO O=C(NC1CC[NH+](CCNC(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2ccccn2)s1 ZINC000045230185 562659648 /nfs/dbraw/zinc/65/96/48/562659648.db2.gz IPLPDZGFWFHTDJ-UHFFFAOYSA-N 1 0 502.562 4.453 1 0 KIAFRO COc1ccc2ccc(F)c(CC(=O)N3CCO[C@H](C[NH2+]Cc4cccc(-c5ccc(F)cc5)n4)C3)c2n1 ZINC000045231073 562659646 /nfs/dbraw/zinc/65/96/46/562659646.db2.gz YHNGFCICHCHSMX-HSZRJFAPSA-N 1 0 518.564 4.143 1 0 KIAFRO COc1ccc2ccc(F)c(CC(=O)N3CCO[C@@H](C[NH2+]Cc4cccc(-c5ccc(F)cc5)n4)C3)c2n1 ZINC000045231078 562659626 /nfs/dbraw/zinc/65/96/26/562659626.db2.gz YHNGFCICHCHSMX-QHCPKHFHSA-N 1 0 518.564 4.143 1 0 KIAFRO CCc1cc2c(nc(N3CC[NH2+]CC3)nc2N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 ZINC000045245081 562659680 /nfs/dbraw/zinc/65/96/80/562659680.db2.gz LVTKZEJEKSQHMI-UHFFFAOYSA-N 1 0 512.683 4.293 1 0 KIAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OC[C@@H]1CCCC[NH2+]1 ZINC000045245233 562659743 /nfs/dbraw/zinc/65/97/43/562659743.db2.gz LXEFMJMGOVUZJS-DWACAAAGSA-N 1 0 524.629 4.250 1 0 KIAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OC[C@@H]1CCCC[NH2+]1 ZINC000045245234 562659724 /nfs/dbraw/zinc/65/97/24/562659724.db2.gz LXEFMJMGOVUZJS-RBISFHTESA-N 1 0 524.629 4.250 1 0 KIAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OC[C@H]1CCCC[NH2+]1 ZINC000045245235 562659774 /nfs/dbraw/zinc/65/97/74/562659774.db2.gz LXEFMJMGOVUZJS-DFHRPNOPSA-N 1 0 524.629 4.250 1 0 KIAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OC[C@H]1CCCC[NH2+]1 ZINC000045245236 562659741 /nfs/dbraw/zinc/65/97/41/562659741.db2.gz LXEFMJMGOVUZJS-SKCUWOTOSA-N 1 0 524.629 4.250 1 0 KIAFRO O=C(NCCOc1ccccc1)c1cnc(N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)c(Cl)c1 ZINC000045245304 562659766 /nfs/dbraw/zinc/65/97/66/562659766.db2.gz VKQDVVFNDNSOHJ-UHFFFAOYSA-N 1 0 534.104 4.330 1 0 KIAFRO CS[C@H]1CC[C@@]([NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CN1 ZINC000045254191 562659847 /nfs/dbraw/zinc/65/98/47/562659847.db2.gz FHHVBAOKGVENQJ-RVUATISTSA-N 1 0 519.702 4.228 1 0 KIAFRO C[N@H+](Cc1ccc2c(ccn2C(=O)c2ccccc2)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000045255945 562659868 /nfs/dbraw/zinc/65/98/68/562659868.db2.gz GJMQQYMSCDEBTA-MUUNZHRXSA-N 1 0 501.537 4.219 1 0 KIAFRO C[N@H+](Cc1ccc2c(ccn2C(=O)c2ccccc2)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000045255949 562659871 /nfs/dbraw/zinc/65/98/71/562659871.db2.gz GJMQQYMSCDEBTA-NDEPHWFRSA-N 1 0 501.537 4.219 1 0 KIAFRO Cc1nc(-c2c(N)c(=O)n(CCC[NH+]3CCN(c4ccc(C)cc4)CC3)nc2-c2ccccc2)cs1 ZINC000045260770 562660055 /nfs/dbraw/zinc/66/00/55/562660055.db2.gz SZAJUEKDLJGQAS-UHFFFAOYSA-N 1 0 500.672 4.445 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000045291282 562660315 /nfs/dbraw/zinc/66/03/15/562660315.db2.gz QHWRIZRQECTZRR-UHFFFAOYSA-N 1 0 510.704 4.185 1 0 KIAFRO CC(C)CN([C@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccn1 ZINC000045299459 562660392 /nfs/dbraw/zinc/66/03/92/562660392.db2.gz OETBQCBQJIIUAV-XCZPVHLTSA-N 1 0 520.699 4.423 1 0 KIAFRO CC(C)CN([C@@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccn1 ZINC000045299462 562660366 /nfs/dbraw/zinc/66/03/66/562660366.db2.gz OETBQCBQJIIUAV-XTEPFMGCSA-N 1 0 520.699 4.423 1 0 KIAFRO CC(C)N1CCN(C(=O)c2ccc(C[NH2+]CCCN3CCN(c4ccccc4C(F)(F)F)CC3)s2)CC1 ZINC000045302262 562660575 /nfs/dbraw/zinc/66/05/75/562660575.db2.gz GFAUXMULVMLNMF-UHFFFAOYSA-N 1 0 537.696 4.235 1 0 KIAFRO Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCCOc2ccccc2)nc(NCCOc2ccccc2)[nH+]1 ZINC000045302274 562660601 /nfs/dbraw/zinc/66/06/01/562660601.db2.gz YPCSEKVXNYPBIG-MHZLTWQESA-N 1 0 511.626 4.494 1 0 KIAFRO Oc1ccc(CCNc2nc(NCCCOc3cccc(-c4ccccc4)c3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000045302375 562660616 /nfs/dbraw/zinc/66/06/16/562660616.db2.gz KXVGDKYDLKJQRL-UHFFFAOYSA-N 1 0 525.657 4.189 1 0 KIAFRO COc1cc(F)c2ncc(Cl)c(CCN3CCC([NH2+]Cc4ccc5c(n4)NC(=O)CS5)CC3)c2c1 ZINC000045302390 562660693 /nfs/dbraw/zinc/66/06/93/562660693.db2.gz JNJUJKVXGMCTRH-UHFFFAOYSA-N 1 0 516.042 4.272 1 0 KIAFRO O=C(Nc1ccc(Cn2ncc(N3CCC[NH2+]CC3)c(Cl)c2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000045302919 562660757 /nfs/dbraw/zinc/66/07/57/562660757.db2.gz QROZRXNWIXMNMG-UHFFFAOYSA-N 1 0 520.943 4.408 1 0 KIAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OC[C@@H]1CCC[NH2+]C1 ZINC000045318569 562660932 /nfs/dbraw/zinc/66/09/32/562660932.db2.gz IZUJRRQQMYQCBU-NGOKVRLYSA-N 1 0 524.629 4.108 1 0 KIAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OC[C@@H]1CCC[NH2+]C1 ZINC000045318573 562660942 /nfs/dbraw/zinc/66/09/42/562660942.db2.gz IZUJRRQQMYQCBU-PIIWDFAUSA-N 1 0 524.629 4.108 1 0 KIAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OC[C@H]1CCC[NH2+]C1 ZINC000045318577 562660953 /nfs/dbraw/zinc/66/09/53/562660953.db2.gz IZUJRRQQMYQCBU-MMTVBGGISA-N 1 0 524.629 4.108 1 0 KIAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OC[C@H]1CCC[NH2+]C1 ZINC000045318581 562660935 /nfs/dbraw/zinc/66/09/35/562660935.db2.gz IZUJRRQQMYQCBU-WTYVLRPYSA-N 1 0 524.629 4.108 1 0 KIAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OCC1CC[NH2+]CC1 ZINC000045320263 562660975 /nfs/dbraw/zinc/66/09/75/562660975.db2.gz HKJCXQLAQCWDCR-NDEPHWFRSA-N 1 0 524.629 4.108 1 0 KIAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OCC1CC[NH2+]CC1 ZINC000045320267 562660984 /nfs/dbraw/zinc/66/09/84/562660984.db2.gz HKJCXQLAQCWDCR-MUUNZHRXSA-N 1 0 524.629 4.108 1 0 KIAFRO COc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC[NH+]3CCCCC3)ccc2O)cc1 ZINC000045321985 562661044 /nfs/dbraw/zinc/66/10/44/562661044.db2.gz IUBHYSAOCRCEPJ-MHZLTWQESA-N 1 0 501.627 4.011 1 0 KIAFRO CC(C)N1CCN(C(=O)c2ccc(C[NH2+]CCCN3CCN(c4cccc(Cl)c4Cl)CC3)o2)CC1 ZINC000045322587 562661126 /nfs/dbraw/zinc/66/11/26/562661126.db2.gz CHWIJLBUBORVIS-UHFFFAOYSA-N 1 0 522.521 4.055 1 0 KIAFRO COc1ccc(CCNc2nc(NCCC[N@@H+]3CCCC[C@H]3C)ncc2C(=O)NCC(C)C)cc1OC ZINC000045324309 562661199 /nfs/dbraw/zinc/66/11/99/562661199.db2.gz HRDOUHHUUHIPMK-OAQYLSRUSA-N 1 0 512.699 4.211 1 0 KIAFRO COc1ccc(CCNc2nc(NCCC[N@@H+]3CCCC[C@@H]3C)ncc2C(=O)NCC(C)C)cc1OC ZINC000045324312 562661209 /nfs/dbraw/zinc/66/12/09/562661209.db2.gz HRDOUHHUUHIPMK-NRFANRHFSA-N 1 0 512.699 4.211 1 0 KIAFRO Cc1cc(OCCC[N@@H+]2CC[C@H](NS(=O)(=O)c3cccc(Br)c3)C2)c2ccccc2n1 ZINC000045334898 562661338 /nfs/dbraw/zinc/66/13/38/562661338.db2.gz HGDYZVWVPQXSHR-IBGZPJMESA-N 1 0 504.450 4.127 1 0 KIAFRO Cc1cc(OCCC[N@@H+]2CC[C@@H](NS(=O)(=O)c3cccc(Br)c3)C2)c2ccccc2n1 ZINC000045334900 562661311 /nfs/dbraw/zinc/66/13/11/562661311.db2.gz HGDYZVWVPQXSHR-LJQANCHMSA-N 1 0 504.450 4.127 1 0 KIAFRO CCC(=O)c1cccc(Nc2ccc3c(c2)C(=CNc2ccc(N4CC[NH+](C)CC4)cc2)C(=O)NC3=O)c1 ZINC000045336338 562661362 /nfs/dbraw/zinc/66/13/62/562661362.db2.gz ABNRWDFBKNMBQO-DIBXZPPDSA-N 1 0 509.610 4.498 1 0 KIAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cc(F)cc(F)c2)C1 ZINC000045337359 562661435 /nfs/dbraw/zinc/66/14/35/562661435.db2.gz IJHZJMZVCBIPPG-DCEDVJGZSA-N 1 0 524.653 4.359 1 0 KIAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2ccc(F)c(F)c2)C1 ZINC000045337428 562661432 /nfs/dbraw/zinc/66/14/32/562661432.db2.gz SECCKSZTLDLXCD-SLSDLSHTSA-N 1 0 524.653 4.359 1 0 KIAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(F)c2F)C1 ZINC000045337686 562661455 /nfs/dbraw/zinc/66/14/55/562661455.db2.gz MISUMYVYIHPYKD-TYBLODHISA-N 1 0 524.653 4.359 1 0 KIAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(C)c2)C1 ZINC000045338257 562661510 /nfs/dbraw/zinc/66/15/10/562661510.db2.gz YRGVHLWOKUTLHV-ZNZIZOMTSA-N 1 0 502.700 4.389 1 0 KIAFRO CNC(=O)NCCC[C@@](O)(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)N[C@H](C[NH2+]C)CC2CCCCC2)C1 ZINC000045338619 562661463 /nfs/dbraw/zinc/66/14/63/562661463.db2.gz KXQVLZNOBJEAOL-FKIGELJASA-N 1 0 536.161 4.217 1 0 KIAFRO COc1cccc2c1OC[C@H](Cc1ccc(OCC[NH+](C)C)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000045347498 562661647 /nfs/dbraw/zinc/66/16/47/562661647.db2.gz KYAFNYNBCMIICY-DEOSSOPVSA-N 1 0 510.656 4.139 1 0 KIAFRO Cc1cc(N)nc(C[C@@H]2C[NH2+]C[C@@H]2OCCN(CCc2cccc(F)c2)C(=O)OCc2ccccc2)c1 ZINC000045349393 562661631 /nfs/dbraw/zinc/66/16/31/562661631.db2.gz AMGDBQDOQXQKMM-SQHAQQRYSA-N 1 0 506.622 4.140 1 0 KIAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(F)c2)C1 ZINC000045352698 562661782 /nfs/dbraw/zinc/66/17/82/562661782.db2.gz XAAODCDZXIITSC-VJTSUQJLSA-N 1 0 506.663 4.219 1 0 KIAFRO COc1ccc2c(c1)OC[C@H](Cc1ccc(OCC[NH+](C)C)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000045354098 562661880 /nfs/dbraw/zinc/66/18/80/562661880.db2.gz SBKYIJHSNLKYPC-DEOSSOPVSA-N 1 0 510.656 4.139 1 0 KIAFRO CCCCC[NH+]1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 ZINC000045354880 562661818 /nfs/dbraw/zinc/66/18/18/562661818.db2.gz OAYVBMJXLZFBRA-SANMLTNESA-N 1 0 522.690 4.303 1 0 KIAFRO COc1ccc2cc3[n+](cc2c1OCCCCOn1nnc2ccccc21)CCc1cc2c(cc1-3)OCO2 ZINC000045373444 562662292 /nfs/dbraw/zinc/66/22/92/562662292.db2.gz MZZPMVBQGDJLAE-UHFFFAOYSA-N 1 0 511.558 4.120 1 0 KIAFRO COC(=O)NCCO[C@@H](c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)N[C@H](C[NH3+])CC2CCCCC2)C1 ZINC000045385431 562662387 /nfs/dbraw/zinc/66/23/87/562662387.db2.gz UDBBEGCXNKSBEV-NHTMILBNSA-N 1 0 509.091 4.473 1 0 KIAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cc(F)ccc2F)C1 ZINC000045391743 562662563 /nfs/dbraw/zinc/66/25/63/562662563.db2.gz AZZOFJHLRJZQPM-JLRUASKGSA-N 1 0 524.653 4.359 1 0 KIAFRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4CC3CC3)[C@H]2O6)cc1 ZINC000045392891 562662555 /nfs/dbraw/zinc/66/25/55/562662555.db2.gz COQVMBCVISUHKI-MFVFZHPYSA-N 1 0 502.655 4.052 1 0 KIAFRO CC(=O)N1CCC(C(=O)N[C@@H](C[C@H](C)[NH+]2CCC(n3c(C)nnc3C(C)C)CC2)c2ccccc2)CC1 ZINC000045506474 562662857 /nfs/dbraw/zinc/66/28/57/562662857.db2.gz IJHNPMJDKOVWNS-IDISGSTGSA-N 1 0 508.711 4.241 1 0 KIAFRO CC(=O)N1CCC(C(=O)N[C@@H](C[C@@H](C)[NH+]2CCC(n3c(C)nnc3C(C)C)CC2)c2ccccc2)CC1 ZINC000045506477 562662864 /nfs/dbraw/zinc/66/28/64/562662864.db2.gz IJHNPMJDKOVWNS-ZBLYBZFDSA-N 1 0 508.711 4.241 1 0 KIAFRO NC(=O)COc1cccc2c1CCN(CC[NH+]1CCC(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC1)C2 ZINC000048307294 562662888 /nfs/dbraw/zinc/66/28/88/562662888.db2.gz CEGYYNUQUVKZSO-UHFFFAOYSA-N 1 0 547.099 4.124 1 0 KIAFRO COc1ccc2ncc(F)c(CCN3CCC([NH2+]Cc4cc(Br)c5c(c4)OCCO5)CC3)c2n1 ZINC000048307345 562663031 /nfs/dbraw/zinc/66/30/31/562663031.db2.gz DAOPVCJFGRMFRI-UHFFFAOYSA-N 1 0 531.426 4.108 1 0 KIAFRO C[C@@]12C[C@@H](Nc3nc(NCCc4ccc(O)cc4)nc(N4CC[NH2+]CC4)n3)C[C@@H](C1)c1cccc(Cl)c1O2 ZINC000048307378 562663093 /nfs/dbraw/zinc/66/30/93/562663093.db2.gz GZMGYSXZAAHTJZ-JVAKCPTJSA-N 1 0 536.080 4.194 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)(C)c2cccc(OC)c2)cc(N2CCCC2=O)c1 ZINC000048308780 562663119 /nfs/dbraw/zinc/66/31/19/562663119.db2.gz RXNLPUIVQVVTTI-XZWHSSHBSA-N 1 0 558.723 4.481 1 0 KIAFRO CCCC1([NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(NCC)cc(N3CCCCS3(=O)=O)c2)CCCC1 ZINC000048308871 562663108 /nfs/dbraw/zinc/66/31/08/562663108.db2.gz ZELNVMJIVXANSJ-URLMMPGGSA-N 1 0 570.800 4.453 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCC(F)(F)CC2)c(F)c(N2CCCCS2(=O)=O)c1 ZINC000048308873 562663115 /nfs/dbraw/zinc/66/31/15/562663115.db2.gz QQJFLGSZUCOTHA-AZGAKELHSA-N 1 0 596.716 4.057 1 0 KIAFRO CCCC1([NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(NCC)cc(N3CCCCS3(=O)=O)c2)CCC1 ZINC000048308938 562663143 /nfs/dbraw/zinc/66/31/43/562663143.db2.gz CXOXOTHUPGFWJM-WUFINQPMSA-N 1 0 556.773 4.063 1 0 KIAFRO CCCC[C@H]1N(CC2CCOCC2)C(=O)OC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000049018139 562663323 /nfs/dbraw/zinc/66/33/23/562663323.db2.gz KQLSXCNTMVFPSL-RUZDIDTESA-N 1 0 541.737 4.360 1 0 KIAFRO CCCC[C@@H]1N(CC2CCOCC2)C(=O)OC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000049018142 562663334 /nfs/dbraw/zinc/66/33/34/562663334.db2.gz KQLSXCNTMVFPSL-VWLOTQADSA-N 1 0 541.737 4.360 1 0 KIAFRO C[NH2+]CCNCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2c(OC)ccc3ccccc32)c1 ZINC000049033973 562663448 /nfs/dbraw/zinc/66/34/48/562663448.db2.gz FRELWJNLIPWVFB-UHFFFAOYSA-N 1 0 511.548 4.292 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000049046398 562663669 /nfs/dbraw/zinc/66/36/69/562663669.db2.gz JYRKGTLBBJHVGA-HMNRDNJPSA-N 1 0 504.675 4.076 1 0 KIAFRO CCCC[C@@H]1CN(C2CCOCC2)C(=O)N1C1CC[NH+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 ZINC000049047777 562663696 /nfs/dbraw/zinc/66/36/96/562663696.db2.gz HWJLBUCAKPCIRM-AREMUKBSSA-N 1 0 540.753 4.028 1 0 KIAFRO CCCC[C@H]1CN(C2CCOCC2)C(=O)N1C1CC[NH+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 ZINC000049047781 562663706 /nfs/dbraw/zinc/66/37/06/562663706.db2.gz HWJLBUCAKPCIRM-SANMLTNESA-N 1 0 540.753 4.028 1 0 KIAFRO O=C(Nc1ccncc1)Nc1ccc(-c2nc3c(ccn3CC[NH+]3CCCC3)c(N3CCOCC3)n2)cc1 ZINC000049055492 562663894 /nfs/dbraw/zinc/66/38/94/562663894.db2.gz ZPRALLKVXGZIAY-UHFFFAOYSA-N 1 0 512.618 4.070 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCOCC1 ZINC000049055713 562663914 /nfs/dbraw/zinc/66/39/14/562663914.db2.gz PDPPXLVUFNSPHS-HDBFHEOPSA-N 1 0 524.662 4.285 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc32)c(F)s1)C1CCOCC1 ZINC000049069871 562664101 /nfs/dbraw/zinc/66/41/01/562664101.db2.gz WPUCUMPNTFVXFM-RTFZILSDSA-N 1 0 524.662 4.285 1 0 KIAFRO C[NH+](C)CCn1ccc2c1nc(-c1ccc(NC(=O)Nc3ccc(F)cc3)cc1)nc2N1CCOCC1 ZINC000049070284 562664110 /nfs/dbraw/zinc/66/41/10/562664110.db2.gz WQRRUNWBRWNYJW-UHFFFAOYSA-N 1 0 503.582 4.280 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ncnc2-c2ccccc2)s1)C1CCCCC1 ZINC000049072335 562664238 /nfs/dbraw/zinc/66/42/38/562664238.db2.gz XOMVTFGAOHFQCH-XJABCFGWSA-N 1 0 506.676 4.090 1 0 KIAFRO O=C(Nc1ccncc1)Nc1ccc(-c2nc3c(ccn3CC[NH+]3CCCCC3)c(N3CCOCC3)n2)cc1 ZINC000049072619 562664213 /nfs/dbraw/zinc/66/42/13/562664213.db2.gz AUPCSHZFYYOJPD-UHFFFAOYSA-N 1 0 526.645 4.460 1 0 KIAFRO COC(=O)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049088341 562664336 /nfs/dbraw/zinc/66/43/36/562664336.db2.gz BYTUZXFPQGUPIA-UHFFFAOYSA-N 1 0 527.629 4.345 1 0 KIAFRO C[NH2+]CCNCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2OC(F)(F)F)c1 ZINC000049109689 562664527 /nfs/dbraw/zinc/66/45/27/562664527.db2.gz CGHYVYWFJZTCTO-UHFFFAOYSA-N 1 0 515.458 4.029 1 0 KIAFRO CCCC[C@H]1CN(C2CCOCC2)C(=O)OC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000049110656 562664567 /nfs/dbraw/zinc/66/45/67/562664567.db2.gz JLAZWYCOZZELFJ-DEOSSOPVSA-N 1 0 541.737 4.360 1 0 KIAFRO Cc1cc(CN2CCN(c3c4[nH]c(-c5ccc(C[NH+](C)C)cc5)nc4ncc3Br)CC2)no1 ZINC000049112636 562664615 /nfs/dbraw/zinc/66/46/15/562664615.db2.gz MAAOTDJLPPSMRD-UHFFFAOYSA-N 1 0 510.440 4.068 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](NC(=O)CC3CCCC3)c3cccc(F)c3)C[C@@H]2C1 ZINC000049113148 562664655 /nfs/dbraw/zinc/66/46/55/562664655.db2.gz ZCKAAYPRCYMCMR-GSLIJJQTSA-N 1 0 507.654 4.064 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc32)cs1)C1CCOCC1 ZINC000049113231 562664648 /nfs/dbraw/zinc/66/46/48/562664648.db2.gz YXGUDIMUDRFJGV-WDNCENIBSA-N 1 0 506.672 4.146 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(nc(C)nc2-c2ccccc2)s1)C1CCCCC1 ZINC000049113937 562664697 /nfs/dbraw/zinc/66/46/97/562664697.db2.gz LPSXMSKJMIDTCG-HYVJGQCMSA-N 1 0 520.703 4.398 1 0 KIAFRO CCOC(=O)C(=O)N(Cc1ccc(F)c(F)c1)c1ccc2c(c1)N(C)C[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)O2 ZINC000049525682 562664779 /nfs/dbraw/zinc/66/47/79/562664779.db2.gz AWEMWUWHNYCICC-LJAQVGFWSA-N 1 0 552.578 4.011 1 0 KIAFRO CCOC(=O)C(=O)N(Cc1ccc(F)c(F)c1)c1ccc2c(c1)N(C)C[C@](C)(COc1ccc(C(N)=[NH2+])cc1)O2 ZINC000049537188 562664804 /nfs/dbraw/zinc/66/48/04/562664804.db2.gz AWEMWUWHNYCICC-GDLZYMKVSA-N 1 0 552.578 4.011 1 0 KIAFRO C[NH+](C)CCNC(=O)c1ccc2c(c1)ncn2-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1 ZINC000049605018 562665243 /nfs/dbraw/zinc/66/52/43/562665243.db2.gz BKDYRIZKLHDADW-UHFFFAOYSA-N 1 0 531.560 4.075 1 0 KIAFRO O=c1cc(NCCC[NH2+]Cc2scc(I)c2I)[nH]c2ccccc12 ZINC000049605058 562665282 /nfs/dbraw/zinc/66/52/82/562665282.db2.gz LRJDLULRACDFDM-UHFFFAOYSA-N 1 0 565.218 4.391 1 0 KIAFRO CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCCCC1)cc2N1CCCCS1(=O)=O ZINC000049605116 562665385 /nfs/dbraw/zinc/66/53/85/562665385.db2.gz LYPDIOAIXSQPGP-BHBYDHKZSA-N 1 0 566.768 4.216 1 0 KIAFRO CCCCOC(=O)c1ccc(NC(=O)Nc2ccc(Cn3ncc(N4CCC[NH2+]CC4)c(Cl)c3=O)cc2)cc1 ZINC000049605147 562665376 /nfs/dbraw/zinc/66/53/76/562665376.db2.gz GDKLYSJMGLYYBH-UHFFFAOYSA-N 1 0 553.063 4.346 1 0 KIAFRO CC(C)(C)COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000049605336 562665757 /nfs/dbraw/zinc/66/57/57/562665757.db2.gz GWQGYAFICVAUOW-UHSQPCAPSA-N 1 0 588.705 4.424 1 0 KIAFRO CC(C)(C)COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000049605337 562665713 /nfs/dbraw/zinc/66/57/13/562665713.db2.gz GWQGYAFICVAUOW-WNJJXGMVSA-N 1 0 588.705 4.424 1 0 KIAFRO Cc1cc(OCCCNc2nc(NCCc3ccc(O)cc3)nc(N3CC[NH2+]CC3)n2)c(Cl)c(C)c1Cl ZINC000049605380 562665795 /nfs/dbraw/zinc/66/57/95/562665795.db2.gz JXAVTLMGFVCGSF-UHFFFAOYSA-N 1 0 546.503 4.446 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C23CCC(CC2)CC3)cc(N2CCCCS2(=O)=O)c1 ZINC000049605457 562665918 /nfs/dbraw/zinc/66/59/18/562665918.db2.gz OCHRGIYSHSUUFY-ROPDQJSTSA-N 1 0 568.784 4.063 1 0 KIAFRO O=C(Nc1ccc(Br)cc1)Nc1ccc(Cn2ncc(N3CCC[NH2+]CC3)c(Cl)c2=O)cc1 ZINC000049605499 562665970 /nfs/dbraw/zinc/66/59/70/562665970.db2.gz RLGZBZNTXKESJX-UHFFFAOYSA-N 1 0 531.842 4.151 1 0 KIAFRO CCc1cn(C)c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(OC)c1)cc2N1CCCC1=O ZINC000049605647 562666174 /nfs/dbraw/zinc/66/61/74/562666174.db2.gz OQTGOZBFOQDYDL-IGYGKHONSA-N 1 0 568.718 4.368 1 0 KIAFRO COCC[NH+]1CCC(C(=O)NCC(C)(C)c2nc(-c3ccncc3)c(-c3ccc(Br)c(O)c3)[nH]2)CC1 ZINC000049605665 562666139 /nfs/dbraw/zinc/66/61/39/562666139.db2.gz KHFZFEWKZCIZLE-UHFFFAOYSA-N 1 0 556.505 4.359 1 0 KIAFRO C[C@@H](Cc1ccc2ncnn2c1)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000049615315 562666632 /nfs/dbraw/zinc/66/66/32/562666632.db2.gz KUHJMKMRUIRJSL-BJTUFNSYSA-N 1 0 536.671 4.273 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc4nccnc4n3)CC2)C1 ZINC000049615644 562666670 /nfs/dbraw/zinc/66/66/70/562666670.db2.gz AIEPZCFSGUKURU-HMNRDNJPSA-N 1 0 556.711 4.019 1 0 KIAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)/C=C/c4cc(F)cc(Br)c4)CC3)c2c1 ZINC000049625734 562666811 /nfs/dbraw/zinc/66/68/11/562666811.db2.gz UOVYGDORXLWNIB-PDXRRZLKSA-N 1 0 528.422 4.472 1 0 KIAFRO O=C(N[C@H]1CCN(Cc2ccc(OCCN3CC[NH2+]CC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049625912 562666893 /nfs/dbraw/zinc/66/68/93/562666893.db2.gz HBOMFIPWJMRXJO-IBGZPJMESA-N 1 0 556.332 4.044 1 0 KIAFRO COc1cc2nc(N3CCC(CNC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5OCC[NH+](C)C)cc4)CC3)nc(N)c2cc1OC ZINC000049625969 562666954 /nfs/dbraw/zinc/66/69/54/562666954.db2.gz UOOOKRKXVFZRGK-UHFFFAOYSA-N 1 0 655.800 4.185 1 0 KIAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H]4Cc5ccccc5CN4C(=O)OC(C)(C)C)CC3)c2c1 ZINC000049626301 562667125 /nfs/dbraw/zinc/66/71/25/562667125.db2.gz VHJAMOJVBAAAEV-VMPREFPWSA-N 1 0 560.695 4.219 1 0 KIAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)c1cccc(OC)c1)cc3N(C)S(=O)(=O)C2 ZINC000049626449 562667225 /nfs/dbraw/zinc/66/72/25/562667225.db2.gz QROQJXWPPDLSRO-MFMCTBQISA-N 1 0 604.773 4.176 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(N2CCCCS2(=O)=O)c1 ZINC000049626503 562667235 /nfs/dbraw/zinc/66/72/35/562667235.db2.gz CNOGQJRLXMVMDD-JMTXPEDWSA-N 1 0 594.822 4.309 1 0 KIAFRO CCCCC[C@@H](C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(N2CCCCS2(=O)=O)c1 ZINC000049626579 562667262 /nfs/dbraw/zinc/66/72/62/562667262.db2.gz FCTYBMSYLBDHIP-LDVROUIZSA-N 1 0 558.789 4.309 1 0 KIAFRO CCCCC[C@H](C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(N2CCCCS2(=O)=O)c1 ZINC000049626583 562667267 /nfs/dbraw/zinc/66/72/67/562667267.db2.gz FCTYBMSYLBDHIP-WTWMYVDVSA-N 1 0 558.789 4.309 1 0 KIAFRO CCOC(=O)c1cccc(NC(=O)Nc2cccc(-c3ncc(OCCC[NH3+])c4c3nc(-c3nonc3N)n4CC)c2)c1 ZINC000049626648 562667265 /nfs/dbraw/zinc/66/72/65/562667265.db2.gz VJMPGEAFVIBUEA-UHFFFAOYSA-N 1 0 585.625 4.299 1 0 KIAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc3c(C(C)C)cn4c3c(c2)N(C)S(=O)(=O)CC4)c1 ZINC000049626677 562667342 /nfs/dbraw/zinc/66/73/42/562667342.db2.gz RNRJBDCWOMCIGP-IGYGKHONSA-N 1 0 604.773 4.045 1 0 KIAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCc3ccccn3)C(=O)O[C@@]21C ZINC000049637840 562667605 /nfs/dbraw/zinc/66/76/05/562667605.db2.gz WEGUEMSMZWAHLY-DAZWJVGDSA-N 1 0 702.890 4.031 1 0 KIAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCc3ccncc3)C(=O)O[C@@]21C ZINC000049649311 562667856 /nfs/dbraw/zinc/66/78/56/562667856.db2.gz CDBDGVZCANRQKV-DAZWJVGDSA-N 1 0 702.890 4.031 1 0 KIAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C(C)C)C(=O)O[C@@]21C ZINC000049649313 562667852 /nfs/dbraw/zinc/66/78/52/562667852.db2.gz KXYGTWJUSJSIBE-CVSICMKHSA-N 1 0 638.843 4.340 1 0 KIAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCc3cccnc3)C(=O)O[C@@]21C ZINC000049649332 562667794 /nfs/dbraw/zinc/66/77/94/562667794.db2.gz ILTNRESMJLUFIS-JDWQTDEZSA-N 1 0 702.890 4.031 1 0 KIAFRO COC(=O)N1CCC(n2ncc3c2nc(-c2ccc(NC(=O)Nc4ccc(N5CC[NH+](C)CC5)cc4)cc2)nc3N2CCOCC2)CC1 ZINC000049650182 562668043 /nfs/dbraw/zinc/66/80/43/562668043.db2.gz UDRFVTDJBQKEAH-UHFFFAOYSA-N 1 0 654.776 4.129 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](Nc2cccnc2)NC1 ZINC000049670133 562668218 /nfs/dbraw/zinc/66/82/18/562668218.db2.gz CNZCEJXBVKWORI-ASCAXBQDSA-N 1 0 565.709 4.372 1 0 KIAFRO COc1ccc(C[NH+]2CCC(N3CCN(c4ncc(C(=O)NCCOc5ccccc5)cc4Cl)CC3)CC2)cc1 ZINC000049670149 562668209 /nfs/dbraw/zinc/66/82/09/562668209.db2.gz JSGXRSHSVKALPE-UHFFFAOYSA-N 1 0 564.130 4.339 1 0 KIAFRO O=C(NCCOc1ccccc1)c1cnc(N2CCN(C3CC[NH+](Cc4ccc(F)cc4)CC3)CC2)c(Cl)c1 ZINC000049678703 562668620 /nfs/dbraw/zinc/66/86/20/562668620.db2.gz ULSKMUIVQZPBAT-UHFFFAOYSA-N 1 0 552.094 4.470 1 0 KIAFRO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCCCN1C(=O)c3ccccc3S1(=O)=O)C2 ZINC000049679839 562669004 /nfs/dbraw/zinc/66/90/04/562669004.db2.gz SUFMWEXOZBWNLL-BDZGNEFQSA-N 1 0 566.720 4.406 1 0 KIAFRO COc1ccc([C@@H](CCCNS(C)(=O)=O)N2C(=O)c3cccc(N4CC[NH+]([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049680042 562669037 /nfs/dbraw/zinc/66/90/37/562669037.db2.gz CTJVAFHXNBYPPI-YIXXDRMTSA-N 1 0 620.772 4.254 1 0 KIAFRO CC[NH+]1CCN(c2cccc3c2CN([C@H](CCCNc2cncc(OC)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 ZINC000049694635 562669569 /nfs/dbraw/zinc/66/95/69/562669569.db2.gz XBIUSFLVEVUSLU-RUZDIDTESA-N 1 0 560.699 4.234 1 0 KIAFRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(C23CC4CC(CC(C4)C2)C3)n1)C(=O)NCc1ccccc1 ZINC000049694662 562669571 /nfs/dbraw/zinc/66/95/71/562669571.db2.gz CKWRJIRFPNVYKK-AQFXCFNKSA-N 1 0 564.734 4.273 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](C(F)(F)F)NC1 ZINC000049694670 562669649 /nfs/dbraw/zinc/66/96/49/562669649.db2.gz GDQKDPHAGNWWNT-FCRYVSRXSA-N 1 0 541.605 4.470 1 0 KIAFRO O=S(=O)(C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000049694745 562669686 /nfs/dbraw/zinc/66/96/86/562669686.db2.gz NGRSBEOWJSJJPL-HSZRJFAPSA-N 1 0 580.197 4.496 1 0 KIAFRO O=S(=O)(C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC([NH2+]Cc2cccs2)CC1 ZINC000049694746 562669718 /nfs/dbraw/zinc/66/97/18/562669718.db2.gz NGRSBEOWJSJJPL-QHCPKHFHSA-N 1 0 580.197 4.496 1 0 KIAFRO COc1cccc(C[NH2+]C2CCN(S(=O)(=O)CC[C@@H]3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)c1 ZINC000049694789 562669735 /nfs/dbraw/zinc/66/97/35/562669735.db2.gz SYIZKKJKESEDAB-MHZLTWQESA-N 1 0 643.828 4.197 1 0 KIAFRO COc1cccc(C[NH2+]C2CCN(S(=O)(=O)CC[C@H]3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)c1 ZINC000049694790 562669749 /nfs/dbraw/zinc/66/97/49/562669749.db2.gz SYIZKKJKESEDAB-HHHXNRCGSA-N 1 0 643.828 4.197 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2CCS(=O)(=O)N2CCC([NH2+]CCc3ccccc3)CC2)c(OC)c1 ZINC000049694791 562669768 /nfs/dbraw/zinc/66/97/68/562669768.db2.gz YPEFEMMVRUXHMR-MUUNZHRXSA-N 1 0 627.829 4.231 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2CCS(=O)(=O)N2CCC([NH2+]CCc3ccccc3)CC2)c(OC)c1 ZINC000049694792 562669747 /nfs/dbraw/zinc/66/97/47/562669747.db2.gz YPEFEMMVRUXHMR-NDEPHWFRSA-N 1 0 627.829 4.231 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2CCS(=O)(=O)N2CCC([NH2+]Cc3ccc(F)cc3)CC2)c(OC)c1 ZINC000049695059 562670151 /nfs/dbraw/zinc/67/01/51/562670151.db2.gz RTYFXNURHRXECA-HHHXNRCGSA-N 1 0 631.792 4.327 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2CCS(=O)(=O)N2CCC([NH2+]Cc3ccc(F)cc3)CC2)c(OC)c1 ZINC000049695060 562670150 /nfs/dbraw/zinc/67/01/50/562670150.db2.gz RTYFXNURHRXECA-MHZLTWQESA-N 1 0 631.792 4.327 1 0 KIAFRO CCn1ncc2c1nc(-c1ccc(NC(=O)Nc3ccc(OCC[NH+](C)C)cc3)cc1)nc2N1C[C@H]2CC[C@@H](C1)O2 ZINC000049695331 562670422 /nfs/dbraw/zinc/67/04/22/562670422.db2.gz PZMZFBMKDSXMES-PLQXJYEYSA-N 1 0 556.671 4.465 1 0 KIAFRO CNC(=O)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4cccnc4)CC3)c(N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 ZINC000049695388 562670509 /nfs/dbraw/zinc/67/05/09/562670509.db2.gz YLMYIJABZJMHCX-OYRHEFFESA-N 1 0 555.687 4.090 1 0 KIAFRO COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CC[NH+](C)CC3)C2=O)cc1OC ZINC000049695450 562670621 /nfs/dbraw/zinc/67/06/21/562670621.db2.gz PCEKCLOOCOQZJD-RUZDIDTESA-N 1 0 598.791 4.315 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](Nc2ccccn2)NC1 ZINC000049695452 562670623 /nfs/dbraw/zinc/67/06/23/562670623.db2.gz BSJBZWVNDMOBNC-OVKDWURHSA-N 1 0 565.709 4.372 1 0 KIAFRO CCC(=O)N(c1ccc([C@@H](C)NC(=O)[C@H]2O[C@@H](c3nc4ncnc(NC5CCCC5)c4[nH]3)[C@H](O)[C@@H]2O)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000049695456 562670631 /nfs/dbraw/zinc/67/06/31/562670631.db2.gz BNEDSCDAJNXWFC-WZPUCJJUSA-N 1 0 710.880 4.197 1 0 KIAFRO CCC(=O)N(c1ccc([C@H](C)NC(=O)[C@H]2O[C@@H](c3nc4ncnc(NC5CCCC5)c4[nH]3)[C@H](O)[C@@H]2O)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000049695457 562670578 /nfs/dbraw/zinc/67/05/78/562670578.db2.gz BNEDSCDAJNXWFC-ZPRDISHZSA-N 1 0 710.880 4.197 1 0 KIAFRO CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CCNC(=O)NCc1ccccc1 ZINC000049708433 562670921 /nfs/dbraw/zinc/67/09/21/562670921.db2.gz DGEYISIFVMFBQY-UCDLYESDSA-N 1 0 652.840 4.034 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2CCS(=O)(=O)N2CCC([NH2+]CCC(C)C)CC2)c(OC)c1 ZINC000049708456 562670918 /nfs/dbraw/zinc/67/09/18/562670918.db2.gz GZEKBYKHVMXDNP-VWLOTQADSA-N 1 0 593.812 4.034 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2CCS(=O)(=O)N2CCC([NH2+]CCC(C)C)CC2)c(OC)c1 ZINC000049708459 562670929 /nfs/dbraw/zinc/67/09/29/562670929.db2.gz GZEKBYKHVMXDNP-RUZDIDTESA-N 1 0 593.812 4.034 1 0 KIAFRO CCn1ncc2c1nc(-c1ccc(NC(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cc1)nc2N1C[C@H]2CC[C@@H](C1)O2 ZINC000049708575 562671007 /nfs/dbraw/zinc/67/10/07/562671007.db2.gz KYUFDBIYWRJMMF-WMPKNSHKSA-N 1 0 567.698 4.277 1 0 KIAFRO O=C(Nc1ccc(-c2nc3c(cnn3CC(F)(F)F)c(N3C[C@H]4CC[C@@H](C3)O4)n2)cc1)Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC000049708578 562671018 /nfs/dbraw/zinc/67/10/18/562671018.db2.gz NKBGMLOQTKRJCU-PSWAGMNNSA-N 1 0 607.641 4.477 1 0 KIAFRO CCn1ncc2c1nc(-c1ccc(NC(=O)Nc3ccc(NCC[NH+](C)C)cc3)cc1)nc2N1C[C@H]2CC[C@@H](C1)O2 ZINC000049708580 562671009 /nfs/dbraw/zinc/67/10/09/562671009.db2.gz OVJNWPYSQKFXRB-PLQXJYEYSA-N 1 0 555.687 4.498 1 0 KIAFRO CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)N3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049709345 562671276 /nfs/dbraw/zinc/67/12/76/562671276.db2.gz STHDAVOVOCUJEN-LJAQVGFWSA-N 1 0 707.873 4.219 1 0 KIAFRO O[C@@](Cn1cncn1)(CN1CC[NH+](CCCOc2ccc(OCc3ccccc3)cc2)CC1)c1ccc(F)cc1F ZINC000049709640 562671353 /nfs/dbraw/zinc/67/13/53/562671353.db2.gz DICURJSYJOTGEH-WJOKGBTCSA-N 1 0 563.649 4.110 1 0 KIAFRO O[C@](Cn1cncn1)(CN1CC[NH+](CCCOc2ccc(OCc3ccccc3)cc2)CC1)c1ccc(F)cc1F ZINC000049709643 562671366 /nfs/dbraw/zinc/67/13/66/562671366.db2.gz DICURJSYJOTGEH-HKBQPEDESA-N 1 0 563.649 4.110 1 0 KIAFRO CC(C)Nc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCCCC2)cc(N2CCCCS2(=O)=O)c1 ZINC000049710044 562671488 /nfs/dbraw/zinc/67/14/88/562671488.db2.gz SFKXSCZMOCDPNB-URLMMPGGSA-N 1 0 556.773 4.061 1 0 KIAFRO CCn1c(-c2nonc2N)nc2c1c(OCCC[NH3+])cnc2-c1cccc(NC(=O)Nc2cccc(OC)c2)c1 ZINC000049710074 562671513 /nfs/dbraw/zinc/67/15/13/562671513.db2.gz FSMIOLHAZDRJMS-UHFFFAOYSA-N 1 0 543.588 4.131 1 0 KIAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OCCC1CC[NH2+]CC1 ZINC000049710324 562671648 /nfs/dbraw/zinc/67/16/48/562671648.db2.gz JLLZADRFOWOBPP-LJAQVGFWSA-N 1 0 538.656 4.498 1 0 KIAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OCCC1CC[NH2+]CC1 ZINC000049710327 562671632 /nfs/dbraw/zinc/67/16/32/562671632.db2.gz JLLZADRFOWOBPP-GDLZYMKVSA-N 1 0 538.656 4.498 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2(CCC(C)C)CC2)cc(N2CCCCS2(=O)=O)c1 ZINC000049710869 562671850 /nfs/dbraw/zinc/67/18/50/562671850.db2.gz SBGOYRQPXNWAEY-URLMMPGGSA-N 1 0 570.800 4.309 1 0 KIAFRO COc1ccc(-c2ccccc2OCCCNc2nc(NCCc3ccc(O)cc3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000049711134 562671953 /nfs/dbraw/zinc/67/19/53/562671953.db2.gz LJEXOCRHBWAFOB-UHFFFAOYSA-N 1 0 555.683 4.198 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)c2cccc(OC)c2)cc(N2CCCC2=O)c1 ZINC000049711176 562671951 /nfs/dbraw/zinc/67/19/51/562671951.db2.gz OUGHQRWILFEPOQ-TVNVSJRUSA-N 1 0 544.696 4.307 1 0 KIAFRO CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)OCCC[NH3+])cc(-c3ccccc3)n2)CC1 ZINC000049711213 562672035 /nfs/dbraw/zinc/67/20/35/562672035.db2.gz ORRNLORMNOHOMN-MHZLTWQESA-N 1 0 682.819 4.337 1 0 KIAFRO CCn1ncc2c1nc(-c1ccc(NC(=O)Nc3ccc(CN4CC[NH+](C)CC4)cc3)cc1)nc2N1C[C@H]2CC[C@@H](C1)O2 ZINC000049722606 562672282 /nfs/dbraw/zinc/67/22/82/562672282.db2.gz FTRSKAKWKUDZKU-MKPDMIMOSA-N 1 0 581.725 4.272 1 0 KIAFRO CC[NH+]1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2c(C)n[nH]c2C)c2ccc(OC)c(OC)c2)C3=O)CC1 ZINC000049722753 562672526 /nfs/dbraw/zinc/67/25/26/562672526.db2.gz MCLMTVYPCCWVBH-AREMUKBSSA-N 1 0 574.726 4.093 1 0 KIAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1cccc(Cl)c1)[C@H](O)C[NH2+]C1CCCCC1)cc3N(C)S(=O)(=O)CC2 ZINC000049722767 562672497 /nfs/dbraw/zinc/67/24/97/562672497.db2.gz YFPIYHDYCGUXHF-XTEPFMGCSA-N 1 0 587.186 4.261 1 0 KIAFRO CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049722788 562672551 /nfs/dbraw/zinc/67/25/51/562672551.db2.gz OJKFYYWZUWDHRB-SZAHLOSFSA-N 1 0 664.869 4.379 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2CCS(=O)(=O)N2CCC([NH2+]Cc3cccs3)CC2)c(OC)c1 ZINC000049722804 562672565 /nfs/dbraw/zinc/67/25/65/562672565.db2.gz NECPFYMUAUYSCZ-XMMPIXPASA-N 1 0 619.831 4.250 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2CCS(=O)(=O)N2CCC([NH2+]Cc3cccs3)CC2)c(OC)c1 ZINC000049722805 562672573 /nfs/dbraw/zinc/67/25/73/562672573.db2.gz NECPFYMUAUYSCZ-DEOSSOPVSA-N 1 0 619.831 4.250 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2CCS(=O)(=O)N2CCC([NH2+]Cc3ccsc3)CC2)c(OC)c1 ZINC000049722806 562672570 /nfs/dbraw/zinc/67/25/70/562672570.db2.gz AYFSDKAZINYIAF-RUZDIDTESA-N 1 0 619.831 4.250 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2CCS(=O)(=O)N2CCC([NH2+]Cc3ccsc3)CC2)c(OC)c1 ZINC000049722807 562672543 /nfs/dbraw/zinc/67/25/43/562672543.db2.gz AYFSDKAZINYIAF-VWLOTQADSA-N 1 0 619.831 4.250 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2CCS(=O)(=O)N2CCC([NH2+]Cc3ccccc3)CC2)c(OC)c1 ZINC000049722808 562672542 /nfs/dbraw/zinc/67/25/42/562672542.db2.gz NNEUOWNHFVADBM-HHHXNRCGSA-N 1 0 613.802 4.188 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2CCS(=O)(=O)N2CCC([NH2+]Cc3ccccc3)CC2)c(OC)c1 ZINC000049722809 562672571 /nfs/dbraw/zinc/67/25/71/562672571.db2.gz NNEUOWNHFVADBM-MHZLTWQESA-N 1 0 613.802 4.188 1 0 KIAFRO COc1ccc(C[NH2+]C2CCN(S(=O)(=O)CC[C@@H]3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)cc1 ZINC000049722810 562672544 /nfs/dbraw/zinc/67/25/44/562672544.db2.gz RAHQNTORFBTXPI-MHZLTWQESA-N 1 0 643.828 4.197 1 0 KIAFRO COc1ccc(C[NH2+]C2CCN(S(=O)(=O)CC[C@H]3CCc4ccccc4N3S(=O)(=O)c3ccc(OC)cc3OC)CC2)cc1 ZINC000049722811 562672568 /nfs/dbraw/zinc/67/25/68/562672568.db2.gz RAHQNTORFBTXPI-HHHXNRCGSA-N 1 0 643.828 4.197 1 0 KIAFRO CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1COC(=O)c1ccccc1 ZINC000049722975 562672748 /nfs/dbraw/zinc/67/27/48/562672748.db2.gz BVLPRTCNDSXVNR-HVSNEVFASA-N 1 0 610.755 4.002 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H]2CCc3ccccc32)cc(N2CCCCS2(=O)=O)c1 ZINC000049723078 562672891 /nfs/dbraw/zinc/67/28/91/562672891.db2.gz PRQFEELAHDKHBV-MJSOWUPRSA-N 1 0 576.763 4.028 1 0 KIAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NS(=O)(=O)c4cc(Br)c(Br)s4)CC3)c2c1 ZINC000049723148 562672995 /nfs/dbraw/zinc/67/29/95/562672995.db2.gz WVDOZYDTCXASQV-IBGZPJMESA-N 1 0 605.374 4.306 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2(C)CCCCC2)cc(N2CCCCS2(=O)=O)c1 ZINC000049723324 562673277 /nfs/dbraw/zinc/67/32/77/562673277.db2.gz MQCJYAKWACWWBW-WUFINQPMSA-N 1 0 556.773 4.063 1 0 KIAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)c4nc(Cl)c(Cl)c(N)c4Cl)CC3)c2c1 ZINC000049723363 562673332 /nfs/dbraw/zinc/67/33/32/562673332.db2.gz KXOLAQVSKJTDBI-KRWDZBQOSA-N 1 0 524.836 4.109 1 0 KIAFRO CCc1cn(C)c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCCCC1)cc2N1CCCC1=O ZINC000049744765 562673477 /nfs/dbraw/zinc/67/34/77/562673477.db2.gz FKGDTRXCZHZVFH-LMSSTIIKSA-N 1 0 530.713 4.492 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)[C@H](O)C[NH2+]C2CCCCC2)cc(N2CCCCS2(=O)=O)c1 ZINC000049744767 562673478 /nfs/dbraw/zinc/67/34/78/562673478.db2.gz LWOJHQVHMZGKHF-WUFINQPMSA-N 1 0 577.191 4.326 1 0 KIAFRO COc1cc(N2CC[C@H]([NH+](C)C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1 ZINC000049744893 562673533 /nfs/dbraw/zinc/67/35/33/562673533.db2.gz HPYLAXVBJGJTSM-IBGZPJMESA-N 1 0 560.124 4.453 1 0 KIAFRO COc1cc(N2CC[C@@H]([NH+](C)C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1 ZINC000049744895 562673524 /nfs/dbraw/zinc/67/35/24/562673524.db2.gz HPYLAXVBJGJTSM-LJQANCHMSA-N 1 0 560.124 4.453 1 0 KIAFRO COc1ccc2nccc([C@@H](O)CN3CCC([NH2+]C[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)CC3)c2c1 ZINC000049744947 562673619 /nfs/dbraw/zinc/67/36/19/562673619.db2.gz GPLHDHOTVGWKKN-OUTSHDOLSA-N 1 0 534.701 4.467 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCC(C)(C)CC2)cc(N2CCCCS2(=O)=O)c1 ZINC000049745378 562673874 /nfs/dbraw/zinc/67/38/74/562673874.db2.gz UYOGGJKAEZTQOH-URLMMPGGSA-N 1 0 570.800 4.309 1 0 KIAFRO CC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CC[NH2+]CC3)ccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(C(=O)Nc2ccc(Cl)cc2)CC1=O ZINC000049745439 562673840 /nfs/dbraw/zinc/67/38/40/562673840.db2.gz ARDGLRUZOQBLLH-MGONOCMRSA-N 1 0 681.234 4.285 1 0 KIAFRO CC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CC[NH2+]CC3)ccc2o1)C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(Cl)cc2)CC1=O ZINC000049745442 562673837 /nfs/dbraw/zinc/67/38/37/562673837.db2.gz ARDGLRUZOQBLLH-ZPJFYFFZSA-N 1 0 681.234 4.285 1 0 KIAFRO CCn1ncc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)c1cccc(OC)c1)cc2N1CCCC1=O ZINC000049745517 562673904 /nfs/dbraw/zinc/67/39/04/562673904.db2.gz ACXKNXUHBMQUGK-QCENPCRXSA-N 1 0 583.733 4.419 1 0 KIAFRO O=c1cc(N2CCC[NH2+]CC2)c(Cl)nn1Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000049745796 562674071 /nfs/dbraw/zinc/67/40/71/562674071.db2.gz PADTXJNDLMQIRB-UHFFFAOYSA-N 1 0 566.083 4.338 1 0 KIAFRO CCn1c(-c2nonc2N)nc2c1c(OCCC[NH3+])cnc2-c1cccc(NC(=O)Nc2ccccc2OC)c1 ZINC000049746021 562674182 /nfs/dbraw/zinc/67/41/82/562674182.db2.gz WKRSFOMEIDKLMK-UHFFFAOYSA-N 1 0 543.588 4.131 1 0 KIAFRO C[N@@H+]1CCCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CC1 ZINC000049746112 562674232 /nfs/dbraw/zinc/67/42/32/562674232.db2.gz RXSLSHVXGFJJLU-UHFFFAOYSA-N 1 0 574.060 4.319 1 0 KIAFRO C[C@H]1CN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CC[N@@H+]1C ZINC000049746220 562674355 /nfs/dbraw/zinc/67/43/55/562674355.db2.gz MDIQKDWHUZTIRP-KRWDZBQOSA-N 1 0 574.060 4.317 1 0 KIAFRO CN(CC[NH+](C)C)c1cc(C(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc(F)cc2)CC3)c(Cl)cn1 ZINC000049746352 562674381 /nfs/dbraw/zinc/67/43/81/562674381.db2.gz HQFYKMUTSNMYSN-UHFFFAOYSA-N 1 0 562.049 4.174 1 0 KIAFRO C[NH+](C)CCNc1cc(C(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc(F)cc2)CC3)c(Cl)cn1 ZINC000049746437 562674417 /nfs/dbraw/zinc/67/44/17/562674417.db2.gz RGEFBJWJFSBLES-UHFFFAOYSA-N 1 0 548.022 4.150 1 0 KIAFRO Cc1ccc(N2CCC([NH+]3CCN(C(=O)N4CCOCC4)CC3)CC2)c2nc(-c3c(N[C@@H](CO)Cc4ccccc4Br)cc[nH]c3=O)[nH]c21 ZINC000049746872 562674622 /nfs/dbraw/zinc/67/46/22/562674622.db2.gz XPLLJHNWHMGQEJ-AREMUKBSSA-N 1 0 733.712 4.043 1 0 KIAFRO COc1cc(Br)c(S(=O)(=O)n2cc(CN3CCC([NH3+])CC3)c3cc(Cl)ccc32)cc1OC ZINC000049756018 562674767 /nfs/dbraw/zinc/67/47/67/562674767.db2.gz SUDDNJCSJRWANE-UHFFFAOYSA-N 1 0 542.883 4.235 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1cc2ccccc2s1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000049756241 562674913 /nfs/dbraw/zinc/67/49/13/562674913.db2.gz LVZVYZDBEMTWLF-GCLVVOTRSA-N 1 0 726.944 4.307 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 ZINC000049756292 562674929 /nfs/dbraw/zinc/67/49/29/562674929.db2.gz AHIWFLCAIXYEJK-PLQXJYEYSA-N 1 0 551.682 4.093 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[N@H+](CC2(c3ccccc3)CC2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049756611 562675108 /nfs/dbraw/zinc/67/51/08/562675108.db2.gz IUEDHFWXEUQWPL-BZXFFSAKSA-N 1 0 652.880 4.004 1 0 KIAFRO Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 ZINC000049756638 562675143 /nfs/dbraw/zinc/67/51/43/562675143.db2.gz BVLZCMHSCQAJGH-SZPZYZBQSA-N 1 0 591.625 4.332 1 0 KIAFRO CC[NH2+]C1(C(N)=O)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2Cn2cncn2)CC1 ZINC000049756966 562675328 /nfs/dbraw/zinc/67/53/28/562675328.db2.gz NFKCJMNGKPJLJZ-UHFFFAOYSA-N 1 0 601.926 4.209 1 0 KIAFRO C[NH+](C)CCc1ccc(OCCCNC(=O)c2cc(Br)c(Br)[nH]2)c(I)c1 ZINC000049761799 562676160 /nfs/dbraw/zinc/67/61/60/562676160.db2.gz CCGQVOAULLCHMD-UHFFFAOYSA-N 1 0 599.105 4.447 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 ZINC000049761877 562676215 /nfs/dbraw/zinc/67/62/15/562676215.db2.gz MJLBOHSIWRKXDI-PSWAGMNNSA-N 1 0 535.708 4.233 1 0 KIAFRO Cc1c(O)cccc1C(=O)N[C@@H](c1cccs1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049762064 562676306 /nfs/dbraw/zinc/67/63/06/562676306.db2.gz MDNTWQYQXCMZIS-MVSXCLQGSA-N 1 0 527.731 4.390 1 0 KIAFRO COc1ccc(C2=NN(Cc3ccc(C[NH+]4CCC5(CC4)OCCO5)cc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC ZINC000049762221 562676428 /nfs/dbraw/zinc/67/64/28/562676428.db2.gz OQGFHEKSYOZJBE-IZZNHLLZSA-N 1 0 531.653 4.372 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3cccc(F)c3)C[C@@H]2C1 ZINC000049762280 562676463 /nfs/dbraw/zinc/67/64/63/562676463.db2.gz OFCIMWAFWSWKFV-ARNLJNQMSA-N 1 0 543.634 4.309 1 0 KIAFRO CN1CCC=C(c2nsnc2OCCCOCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049762363 562676537 /nfs/dbraw/zinc/67/65/37/562676537.db2.gz MKCGPASFXDHNRR-UHFFFAOYSA-N 1 0 564.756 4.478 1 0 KIAFRO CN1CCC=C(c2nsnc2OCCCOCCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049762837 562676735 /nfs/dbraw/zinc/67/67/35/562676735.db2.gz NQOJKHOPNJCSSZ-UHFFFAOYSA-N 1 0 564.756 4.478 1 0 KIAFRO CN1CCC=C(c2nsnc2OCCCOCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049762840 562676696 /nfs/dbraw/zinc/67/66/96/562676696.db2.gz TWBSOPHBKGTCSD-UHFFFAOYSA-N 1 0 550.729 4.088 1 0 KIAFRO C[C@@H]1CN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CC[N@@H+]1C ZINC000049763219 562676912 /nfs/dbraw/zinc/67/69/12/562676912.db2.gz MDIQKDWHUZTIRP-QGZVFWFLSA-N 1 0 574.060 4.317 1 0 KIAFRO Cc1cc(C(=O)N2CCCNc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCC[N@@H+](C)CC1 ZINC000049766773 562677229 /nfs/dbraw/zinc/67/72/29/562677229.db2.gz XVTJVQICSDHKDD-MHZLTWQESA-N 1 0 548.757 4.096 1 0 KIAFRO Cc1cc(C(=O)N2CCC(N3c4ccccc4COC3=O)CC2)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCC[N@@H+](C)CC1 ZINC000049766840 562677292 /nfs/dbraw/zinc/67/72/92/562677292.db2.gz DSXLXIPPBYSPSK-PMERELPUSA-N 1 0 632.831 4.395 1 0 KIAFRO C[NH+]1CCN(CCOc2ccc3c(c2)CCn2nc(-c4ccc(Oc5ccccc5)cc4)c(C(N)=O)c2N3)CC1 ZINC000049767169 562677467 /nfs/dbraw/zinc/67/74/67/562677467.db2.gz XNWLBELCPUAJCK-UHFFFAOYSA-N 1 0 538.652 4.367 1 0 KIAFRO CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CC[NH+](C1(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC1)CC2 ZINC000049771245 562678053 /nfs/dbraw/zinc/67/80/53/562678053.db2.gz SISLVQRDZSMKIB-MHZLTWQESA-N 1 0 570.775 4.451 1 0 KIAFRO Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccs1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049771313 562678108 /nfs/dbraw/zinc/67/81/08/562678108.db2.gz OTWIIQSIDGVCGR-WKFYBSLTSA-N 1 0 541.758 4.260 1 0 KIAFRO CC[NH+]1CCC(c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)CC1 ZINC000049774560 562678643 /nfs/dbraw/zinc/67/86/43/562678643.db2.gz GVCFLEOXNKUSLH-UHFFFAOYSA-N 1 0 550.063 4.034 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)nn2CCC[NH+]2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000049774621 562678675 /nfs/dbraw/zinc/67/86/75/562678675.db2.gz ZGMTUAKIQZODBD-UHFFFAOYSA-N 1 0 710.889 4.326 1 0 KIAFRO C[NH2+]CCNCc1cc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2OC)cc(C(F)(F)F)c1 ZINC000049775055 562678898 /nfs/dbraw/zinc/67/88/98/562678898.db2.gz UQRTWHYVLZPZCE-UHFFFAOYSA-N 1 0 529.485 4.158 1 0 KIAFRO Cc1ccc(NC(=O)c2cc(CN3CC[NH+](C)CC3)n(C(C)(C)C)n2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 ZINC000049775141 562678914 /nfs/dbraw/zinc/67/89/14/562678914.db2.gz PPCDZYRDXIKRDW-UHFFFAOYSA-N 1 0 593.740 4.401 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)nn2C[C@H](O)C[NH+]2CCC(c3ccccc3F)CC2)C1 ZINC000049775147 562678926 /nfs/dbraw/zinc/67/89/26/562678926.db2.gz LKZUMSQGOOWFGY-RUZDIDTESA-N 1 0 739.858 4.217 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)nn2C[C@@H](O)C[NH+]2CCC(c3ccccc3F)CC2)C1 ZINC000049775149 562678939 /nfs/dbraw/zinc/67/89/39/562678939.db2.gz LKZUMSQGOOWFGY-VWLOTQADSA-N 1 0 739.858 4.217 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc4nonc43)CC2)C1 ZINC000049775408 562679070 /nfs/dbraw/zinc/67/90/70/562679070.db2.gz CFVGQAQWOHALJT-DDKRZIBASA-N 1 0 545.684 4.217 1 0 KIAFRO C[C@@H](NC(=O)c1cc(-c2nc([C@](C)([NH3+])Cc3ccccc3)no2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049775561 562679131 /nfs/dbraw/zinc/67/91/31/562679131.db2.gz VUPFGNXZZQQIIN-KWMCUTETSA-N 1 0 551.644 4.179 1 0 KIAFRO CNC(=O)N1CCC(CN2C[C@@H](c3ccccc3)N(C3CC[NH+](C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1 ZINC000049775588 562679134 /nfs/dbraw/zinc/67/91/34/562679134.db2.gz PEYUSKSYYONOAP-PMERELPUSA-N 1 0 630.838 4.083 1 0 KIAFRO Cc1c(C(=O)NCCN2CC[NH+](C)CC2)[nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12 ZINC000049775723 562679203 /nfs/dbraw/zinc/67/92/03/562679203.db2.gz QXWHKOZXCRDBND-UHFFFAOYSA-N 1 0 552.054 4.359 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N3C(=O)N(C4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1 ZINC000049777152 562679669 /nfs/dbraw/zinc/67/96/69/562679669.db2.gz CAXOWROVDBCIRL-NDEPHWFRSA-N 1 0 560.743 4.210 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N3C(=O)N(CC4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1 ZINC000049777209 562679773 /nfs/dbraw/zinc/67/97/73/562679773.db2.gz LEIJVPCQIOHXMZ-LJAQVGFWSA-N 1 0 574.770 4.458 1 0 KIAFRO CCCC[C@@H]1CN(CC2CCOCC2)C(=O)N1C1CC[NH+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 ZINC000049777225 562679770 /nfs/dbraw/zinc/67/97/70/562679770.db2.gz WWQMRSATUNQSKQ-HHHXNRCGSA-N 1 0 554.780 4.276 1 0 KIAFRO CCCC[C@H]1CN(CC2CCOCC2)C(=O)N1C1CC[NH+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 ZINC000049777226 562679834 /nfs/dbraw/zinc/67/98/34/562679834.db2.gz WWQMRSATUNQSKQ-MHZLTWQESA-N 1 0 554.780 4.276 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C1 ZINC000049777290 562679842 /nfs/dbraw/zinc/67/98/42/562679842.db2.gz PXKLEJCHPGUZTI-PLKPRKFZSA-N 1 0 545.684 4.217 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N3C(=O)N(CC4CCOCC4)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000049777433 562680046 /nfs/dbraw/zinc/68/00/46/562680046.db2.gz LEIJVPCQIOHXMZ-GDLZYMKVSA-N 1 0 574.770 4.458 1 0 KIAFRO CC(C)c1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCCCC1)cc3N(C)S(=O)(=O)CC2 ZINC000049777653 562680343 /nfs/dbraw/zinc/68/03/43/562680343.db2.gz MLLGGGOGPZJVJW-LMSSTIIKSA-N 1 0 566.768 4.169 1 0 KIAFRO CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C(C)(C)c1cccc(OC)c1)cc2N1CCCS1(=O)=O ZINC000049777683 562680365 /nfs/dbraw/zinc/68/03/65/562680365.db2.gz GXNKJOKZCCEPEJ-BHDXBOSCSA-N 1 0 618.800 4.437 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cc4nccnc4cn3)CC2)C1 ZINC000049777833 562680608 /nfs/dbraw/zinc/68/06/08/562680608.db2.gz NVPXSSPNYHRGBA-HMNRDNJPSA-N 1 0 556.711 4.019 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2Cl)[C@H](O)C[NH2+]C2CCCCC2)cc(N2CCCCS2(=O)=O)c1 ZINC000049777885 562680673 /nfs/dbraw/zinc/68/06/73/562680673.db2.gz SQBZRULONFPLOQ-WUFINQPMSA-N 1 0 577.191 4.326 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc4nccn43)CC2)C1 ZINC000049777929 562680684 /nfs/dbraw/zinc/68/06/84/562680684.db2.gz SKBUEWJIXHHCOK-GYUKIKGESA-N 1 0 543.712 4.329 1 0 KIAFRO COc1ccc(/C=C/C(=O)OCCC[N@H+](C)CCCOC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000049778090 562680899 /nfs/dbraw/zinc/68/08/99/562680899.db2.gz UZWBTKVNLXACMQ-IFQMDVHZSA-N 1 0 557.640 4.255 1 0 KIAFRO CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)c1c[nH+]ccc1N)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049778213 562681045 /nfs/dbraw/zinc/68/10/45/562681045.db2.gz OYUYLCNOZNRGMP-QGRQJHSQSA-N 1 0 686.879 4.171 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C1 ZINC000049780230 562681420 /nfs/dbraw/zinc/68/14/20/562681420.db2.gz LAGLXUYHYIDDKB-AYVPJYCDSA-N 1 0 562.740 4.081 1 0 KIAFRO COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)([NH3+])Cc3cccc(Cl)c3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000049780352 562681653 /nfs/dbraw/zinc/68/16/53/562681653.db2.gz VWAYSKUJMJYOLC-ZTBAGHRESA-N 1 0 597.569 4.360 1 0 KIAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)nn2C[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000049780471 562681778 /nfs/dbraw/zinc/68/17/78/562681778.db2.gz JZYAJDNHXDGGCE-QHCPKHFHSA-N 1 0 607.743 4.281 1 0 in-vivo KIAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)nn2C[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000049780472 562681769 /nfs/dbraw/zinc/68/17/69/562681769.db2.gz JZYAJDNHXDGGCE-HSZRJFAPSA-N 1 0 607.743 4.281 1 0 in-vivo KIAFRO Cc1cc(N2CCC([N@@H+]3C[C@@H]4C[C@H]3CO4)CC2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000049780499 562681789 /nfs/dbraw/zinc/68/17/89/562681789.db2.gz LVOHHKIFPDWJJY-NLJOTIRTSA-N 1 0 575.113 4.467 1 0 KIAFRO N=C(N)Nc1nc(-c2cccc(NCCCCCCCCON3C(=N)NC(N)=[NH+]C34CCCCC4)c2)cs1 ZINC000049780504 562681794 /nfs/dbraw/zinc/68/17/94/562681794.db2.gz IVFUTIWNXXIFTN-UHFFFAOYSA-N 1 0 540.742 4.405 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCCC4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049780553 562681901 /nfs/dbraw/zinc/68/19/01/562681901.db2.gz HWPGUTYLDOJLNF-UHFFFAOYSA-N 1 0 710.889 4.468 1 0 KIAFRO COc1cc(/C=C/C(=O)OCCC[N@H+](C)CCCOC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(OC)c1OC ZINC000049780556 562681927 /nfs/dbraw/zinc/68/19/27/562681927.db2.gz HTWXDXZHJBDTKF-BYKSDJPESA-N 1 0 682.770 4.416 1 0 KIAFRO COc1cc(/C=C/C(=O)OCCC[N@H+](C)CCCOC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(OC)c1OC ZINC000049780557 562681902 /nfs/dbraw/zinc/68/19/02/562681902.db2.gz HTWXDXZHJBDTKF-UAVJCIKMSA-N 1 0 682.770 4.416 1 0 KIAFRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc4c(ccn4CC(F)(F)F)c(N4CCOCC4)n3)cc2)cc1 ZINC000049780749 562682166 /nfs/dbraw/zinc/68/21/66/562682166.db2.gz ABOUWUWXUJHANF-UHFFFAOYSA-N 1 0 610.641 4.433 1 0 KIAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000049780845 562682407 /nfs/dbraw/zinc/68/24/07/562682407.db2.gz UNKSWQVJNKCXOO-JOCHJYFZSA-N 1 0 565.036 4.222 1 0 KIAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CCC2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000049780871 562682344 /nfs/dbraw/zinc/68/23/44/562682344.db2.gz SVVSTYJIQHCZMG-XMMPIXPASA-N 1 0 565.036 4.222 1 0 KIAFRO C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cc2)nc(C2CCOCC2)n1 ZINC000049781027 562682516 /nfs/dbraw/zinc/68/25/16/562682516.db2.gz LCENFJFNEOFBCJ-JOCHJYFZSA-N 1 0 572.714 4.054 1 0 KIAFRO CCc1ccc(C(=O)N2CCC(CC[N@@H+]3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000049781101 562682580 /nfs/dbraw/zinc/68/25/80/562682580.db2.gz PPWKTPLMIHJMGU-AREMUKBSSA-N 1 0 558.645 4.131 1 0 KIAFRO Cc1cc(C)cc(C(=O)N2CCC(CC[N@@H+]3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 ZINC000049781198 562682769 /nfs/dbraw/zinc/68/27/69/562682769.db2.gz JOZCADLJFAAEHC-AREMUKBSSA-N 1 0 558.645 4.185 1 0 KIAFRO C[C@@H](NC(=O)c1cc(SCC[C@]([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049781213 562682745 /nfs/dbraw/zinc/68/27/45/562682745.db2.gz FZMBGLPCAYNJMK-PIIWDFAUSA-N 1 0 559.729 4.127 1 0 KIAFRO C[C@@H](NC(=O)c1cc(SCC[C@@]([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049781214 562682761 /nfs/dbraw/zinc/68/27/61/562682761.db2.gz FZMBGLPCAYNJMK-NGOKVRLYSA-N 1 0 559.729 4.127 1 0 KIAFRO C[C@@H](NC(=O)c1cc(COC[C@]([NH3+])(CF)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049781357 562683017 /nfs/dbraw/zinc/68/30/17/562683017.db2.gz JHRQPLYTEMBTKO-PIIWDFAUSA-N 1 0 545.652 4.139 1 0 KIAFRO C[C@@H](NC(=O)c1cc(COC[C@@]([NH3+])(CF)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049781358 562683012 /nfs/dbraw/zinc/68/30/12/562683012.db2.gz JHRQPLYTEMBTKO-NGOKVRLYSA-N 1 0 545.652 4.139 1 0 KIAFRO C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc(N4CCC([NH+](C)C)CC4)cc3)cc2)nc(N2CCOC[C@H]2C)n1 ZINC000049781411 562683055 /nfs/dbraw/zinc/68/30/55/562683055.db2.gz CRPBRHLJMIPXTQ-DNQXCXABSA-N 1 0 615.783 4.163 1 0 KIAFRO Cc1cc([C@H](OC[C@H](O)C[NH+]2CCN(c3ccccn3)CC2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049783934 562683372 /nfs/dbraw/zinc/68/33/72/562683372.db2.gz SPDHPBHYOOMRGD-QDPGVEIFSA-N 1 0 548.485 4.385 1 0 KIAFRO Cc1cc([C@@H](OC[C@H](O)C[NH+]2CCN(c3ccccn3)CC2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049783935 562683344 /nfs/dbraw/zinc/68/33/44/562683344.db2.gz SPDHPBHYOOMRGD-LXFBAYGMSA-N 1 0 548.485 4.385 1 0 KIAFRO Cc1cc([C@H](OC[C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049783936 562683366 /nfs/dbraw/zinc/68/33/66/562683366.db2.gz SPDHPBHYOOMRGD-NEKDWFFYSA-N 1 0 548.485 4.385 1 0 KIAFRO Cc1cc([C@@H](OC[C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)c2ccncc2)c2cc(Br)ccc2n1 ZINC000049783937 562683364 /nfs/dbraw/zinc/68/33/64/562683364.db2.gz SPDHPBHYOOMRGD-FIPFOOKPSA-N 1 0 548.485 4.385 1 0 KIAFRO C[NH2+]CCC[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](C(C)C)NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000049783966 562683337 /nfs/dbraw/zinc/68/33/37/562683337.db2.gz AYOSZODSUZSKJC-QKKBWIMNSA-N 1 0 629.590 4.194 1 0 KIAFRO COC(=O)N1CCC(n2ncc3c2nc(-c2ccc(NC(=O)Nc4ccc(CC[NH+]5CCN(C)CC5)cc4)cc2)nc3N2CCOCC2)CC1 ZINC000049783992 562683359 /nfs/dbraw/zinc/68/33/59/562683359.db2.gz YYIGVVUQYWUSKX-UHFFFAOYSA-N 1 0 682.830 4.167 1 0 KIAFRO CCNC(=O)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049784059 562683379 /nfs/dbraw/zinc/68/33/79/562683379.db2.gz UQBDVXGNVUOMQH-UHFFFAOYSA-N 1 0 540.672 4.308 1 0 KIAFRO CS(=O)(=O)[C@@H]1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCO)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049784187 562683490 /nfs/dbraw/zinc/68/34/90/562683490.db2.gz INJJZJNBIJVHGJ-JOCHJYFZSA-N 1 0 628.783 4.032 1 0 KIAFRO CS(=O)(=O)[C@H]1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCO)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049784188 562683466 /nfs/dbraw/zinc/68/34/66/562683466.db2.gz INJJZJNBIJVHGJ-QFIPXVFZSA-N 1 0 628.783 4.032 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2CCCN2CCOCC2)C1 ZINC000049784279 562683553 /nfs/dbraw/zinc/68/35/53/562683553.db2.gz MXRVIRJWSLPMHG-UHFFFAOYSA-N 1 0 615.788 4.187 1 0 KIAFRO O=C(Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1)NC1CC1 ZINC000049784363 562683569 /nfs/dbraw/zinc/68/35/69/562683569.db2.gz DJVVXKDLVNGSNI-UHFFFAOYSA-N 1 0 552.683 4.451 1 0 KIAFRO O=C(NCCF)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049784554 562683645 /nfs/dbraw/zinc/68/36/45/562683645.db2.gz GVOIDFSKGKJIQS-UHFFFAOYSA-N 1 0 558.662 4.258 1 0 KIAFRO O=C(NCc1ccc(Cl)cc1)c1cn2c(C[N@H+]3CCCC[C@@H]3CCO)cc3cc(CN4CCOCC4)cc(c32)c1=O ZINC000049784835 562683815 /nfs/dbraw/zinc/68/38/15/562683815.db2.gz VGZGGBZWJBPCLO-AREMUKBSSA-N 1 0 577.125 4.043 1 0 KIAFRO O=C(NCc1ccc(Cl)cc1)c1cn2c(C[N@H+]3CCCC[C@H]3CCO)cc3cc(CN4CCOCC4)cc(c32)c1=O ZINC000049784836 562683792 /nfs/dbraw/zinc/68/37/92/562683792.db2.gz VGZGGBZWJBPCLO-SANMLTNESA-N 1 0 577.125 4.043 1 0 KIAFRO CN(C)C(=O)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049784894 562683823 /nfs/dbraw/zinc/68/38/23/562683823.db2.gz SYONYYWDEUIWEP-UHFFFAOYSA-N 1 0 540.672 4.261 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cc(F)cc(F)c3)C[C@@H]2C1 ZINC000049784901 562683833 /nfs/dbraw/zinc/68/38/33/562683833.db2.gz ZUSMCXAJFLVLLT-IMSXRSKXSA-N 1 0 547.597 4.058 1 0 KIAFRO C[C@H](O)CNc1nccc(-n2ccnc2-c2cccc(NC(=O)c3cc(N4CC[NH+](C)CC4)cc(C(F)(F)F)c3)c2)n1 ZINC000049786042 562684228 /nfs/dbraw/zinc/68/42/28/562684228.db2.gz DKFAHLYMYSORAF-IBGZPJMESA-N 1 0 580.615 4.145 1 0 KIAFRO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(Cc5nnn(C)n5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049793265 562684671 /nfs/dbraw/zinc/68/46/71/562684671.db2.gz JQCKRRPAKVTCCE-NDEPHWFRSA-N 1 0 628.847 4.101 1 0 KIAFRO C[C@@H]1CCCN1C(=O)CSc1cc(-c2nn(CCC[NH+]3CCC(N4CCCC4=O)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1C(F)(F)F ZINC000049793361 562684784 /nfs/dbraw/zinc/68/47/84/562684784.db2.gz AMHJJJMVBWDMGX-HSZRJFAPSA-N 1 0 710.889 4.467 1 0 KIAFRO C[C@H]1CCCN1C(=O)CSc1cc(-c2nn(CCC[NH+]3CCC(N4CCCC4=O)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1C(F)(F)F ZINC000049793362 562684753 /nfs/dbraw/zinc/68/47/53/562684753.db2.gz AMHJJJMVBWDMGX-QHCPKHFHSA-N 1 0 710.889 4.467 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)nn2C[C@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049793433 562684795 /nfs/dbraw/zinc/68/47/95/562684795.db2.gz UPUOSGCRLVBNGG-RUZDIDTESA-N 1 0 706.857 4.237 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)nn2C[C@@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049793434 562684806 /nfs/dbraw/zinc/68/48/06/562684806.db2.gz UPUOSGCRLVBNGG-VWLOTQADSA-N 1 0 706.857 4.237 1 0 KIAFRO Cc1nc(Cl)nc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](NC(=O)CC3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 ZINC000049793506 562684902 /nfs/dbraw/zinc/68/49/02/562684902.db2.gz BHZZWCMIOLBTNK-ZRBLBEILSA-N 1 0 546.062 4.434 1 0 KIAFRO COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)([NH3+])Cc3ccc(Cl)cc3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000049793628 562685038 /nfs/dbraw/zinc/68/50/38/562685038.db2.gz UKXDZALRCWNPGQ-ZTBAGHRESA-N 1 0 597.569 4.360 1 0 KIAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)nn2C[C@H](O)C[NH+]2CCC(C(C)(C)O)CC2)C1 ZINC000049793862 562685239 /nfs/dbraw/zinc/68/52/39/562685239.db2.gz QMRXULKWYQUBRF-XMMPIXPASA-N 1 0 651.796 4.032 1 0 KIAFRO CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)nn2C[C@@H](O)C[NH+]2CCC(C(C)(C)O)CC2)C1 ZINC000049793863 562685242 /nfs/dbraw/zinc/68/52/42/562685242.db2.gz QMRXULKWYQUBRF-DEOSSOPVSA-N 1 0 651.796 4.032 1 0 KIAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049802158 562685498 /nfs/dbraw/zinc/68/54/98/562685498.db2.gz PXBISOJLYDVHAZ-UHFFFAOYSA-N 1 0 696.862 4.078 1 0 KIAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049802251 562685605 /nfs/dbraw/zinc/68/56/05/562685605.db2.gz JCEIOJXARAMKNB-JZUMHQTLSA-N 1 0 579.685 4.388 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@]1(c2cccc(C(C)(C)C)c2)CCc2nc(C)ncc2C1 ZINC000049802504 562685740 /nfs/dbraw/zinc/68/57/40/562685740.db2.gz XDGLKEPBKNWNMG-ILJQZKEFSA-N 1 0 536.667 4.443 1 0 KIAFRO CC(=O)OCCCN1C(C)=C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)[C@@H](C)C(C(=O)OCc2ccccc2)=C1C ZINC000049803586 562686156 /nfs/dbraw/zinc/68/61/56/562686156.db2.gz MJTFMNRKYZIKMT-YYSPBGNDSA-N 1 0 603.760 4.023 1 0 KIAFRO CC(=O)OCCCN1C(C)=C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)[C@H](C)C(C(=O)OCc2ccccc2)=C1C ZINC000049803587 562686161 /nfs/dbraw/zinc/68/61/61/562686161.db2.gz MJTFMNRKYZIKMT-IZDARVJKSA-N 1 0 603.760 4.023 1 0 KIAFRO C=COCCCN1C(=O)O[C@@]2(C)[C@H]1[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O)[C@@H](C)/C=C(\C)C(=O)O[C@@H]2CC ZINC000049804031 562686352 /nfs/dbraw/zinc/68/63/52/562686352.db2.gz CEKOVFZLYVKSGR-HABBCIAZSA-N 1 0 680.880 4.482 1 0 KIAFRO COc1cc2c(cc1OCCCN1CC[NH+](CCCOc3cc4c(cc3OC)C(=O)N3C[C@@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000049833161 562687550 /nfs/dbraw/zinc/68/75/50/562687550.db2.gz IFSWCDUZMRLVNK-QYOOZWMWSA-N 1 0 694.780 4.096 1 0 KIAFRO COc1cc2c(cc1OCCCN1CC[NH+](CCCOc3cc4c(cc3OC)C(=O)N3C[C@@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@H](F)CN1C2=O ZINC000049833162 562687534 /nfs/dbraw/zinc/68/75/34/562687534.db2.gz IFSWCDUZMRLVNK-CQJMVLFOSA-N 1 0 694.780 4.096 1 0 KIAFRO COc1cc2c(cc1OCCCN1CC[NH+](CCCOc3cc4c(cc3OC)C(=O)N3C[C@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000049833163 562687532 /nfs/dbraw/zinc/68/75/32/562687532.db2.gz IFSWCDUZMRLVNK-XPGKHFPBSA-N 1 0 694.780 4.096 1 0 KIAFRO COCCOC(=O)N1CC[NH+](C2CCN(c3cc4nc(-c5c(NC[C@@H](O)c6cccc(Cl)c6)cc[nH]c5=O)[nH]c4c(C)c3)CC2)CC1 ZINC000049833592 562687911 /nfs/dbraw/zinc/68/79/11/562687911.db2.gz AHPTUXAIRHFFGA-GDLZYMKVSA-N 1 0 664.207 4.395 1 0 KIAFRO COC(=O)[C@@H]1C/C=C\COc2ccc3ccccc3c2-c2c(ccc3ccccc32)OCC(=O)N[C@H](CCCCNC(N)=[NH2+])C(=O)N1 ZINC000049841137 562688038 /nfs/dbraw/zinc/68/80/38/562688038.db2.gz YCRZWLODWYQUBW-HCZZCBLYSA-N 1 0 637.737 4.173 1 0 KIAFRO [NH2+]=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCn1cc(-c2ccccc2)nn1 ZINC000049841217 562688098 /nfs/dbraw/zinc/68/80/98/562688098.db2.gz OUVLHHGCRILGBP-MGBGTMOVSA-N 1 0 686.817 4.485 1 0 KIAFRO OCCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ncccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049841382 562688298 /nfs/dbraw/zinc/68/82/98/562688298.db2.gz SAJSOIPXKGYZML-UHFFFAOYSA-N 1 0 653.795 4.428 1 0 KIAFRO Cc1cc(N2CCC([NH+]3CCN(C(=O)N4CCOCC4)CC3)CC2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000049844787 562688607 /nfs/dbraw/zinc/68/86/07/562688607.db2.gz XSBPOCYYAOOLIV-SSEXGKCCSA-N 1 0 675.234 4.064 1 0 KIAFRO CCC[C@H]1C(C(=O)N[C@@H](C)c2ccccc2)=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1 ZINC000049853428 562688899 /nfs/dbraw/zinc/68/88/99/562688899.db2.gz KKDBVMXUSPGZQN-VXZLTYTISA-N 1 0 616.803 4.156 1 0 KIAFRO CCC[C@@H]1C(C(=O)N[C@@H](C)c2ccccc2)=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1 ZINC000049853429 562688902 /nfs/dbraw/zinc/68/89/02/562688902.db2.gz KKDBVMXUSPGZQN-WXEINXRSSA-N 1 0 616.803 4.156 1 0 KIAFRO CCC[C@H]1C(C(=O)N[C@H](C)c2ccccc2)=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1 ZINC000049853430 562688875 /nfs/dbraw/zinc/68/88/75/562688875.db2.gz KKDBVMXUSPGZQN-ZSPIXBMDSA-N 1 0 616.803 4.156 1 0 KIAFRO CCC[C@@H]1C(C(=O)N[C@H](C)c2ccccc2)=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1 ZINC000049853431 562688900 /nfs/dbraw/zinc/68/89/00/562688900.db2.gz KKDBVMXUSPGZQN-LVZXSFDLSA-N 1 0 616.803 4.156 1 0 KIAFRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000049867259 562689395 /nfs/dbraw/zinc/68/93/95/562689395.db2.gz CJGANXISTMOLNK-BHIFYINESA-N 1 0 544.540 4.211 1 0 KIAFRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000049867263 562689406 /nfs/dbraw/zinc/68/94/06/562689406.db2.gz CJGANXISTMOLNK-YPAWHYETSA-N 1 0 544.540 4.211 1 0 KIAFRO O=C(NC1CCN(S(=O)(=O)c2ccc(OC3CC[NH2+]CC3)c(Br)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049867374 562689428 /nfs/dbraw/zinc/68/94/28/562689428.db2.gz OZEUXSUCNVQZSI-UHFFFAOYSA-N 1 0 591.355 4.470 1 0 KIAFRO O=C(N[C@@H]1CCN(S(=O)(=O)c2ccc(OC3CC[NH2+]CC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049867738 562689630 /nfs/dbraw/zinc/68/96/30/562689630.db2.gz KYAZIJKMIRPNBJ-OAHLLOKOSA-N 1 0 577.328 4.080 1 0 KIAFRO Cc1cc(N2CCC([NH+]3CCOCC3)CC2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000049872046 562689751 /nfs/dbraw/zinc/68/97/51/562689751.db2.gz ANBSWCCVJMJABF-AREMUKBSSA-N 1 0 563.102 4.327 1 0 KIAFRO CN(C(=O)c1ccc2ccccc2c1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000049872485 562690060 /nfs/dbraw/zinc/69/00/60/562690060.db2.gz LHRFRCCOWXEVBM-RQZMOBKGSA-N 1 0 510.634 4.250 1 0 KIAFRO O=S(=O)(c1ccccc1)N(CC[NH2+]CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1 ZINC000049877721 562690236 /nfs/dbraw/zinc/69/02/36/562690236.db2.gz SAEHJKSEOLSBPF-UHFFFAOYSA-N 1 0 563.745 4.358 1 0 KIAFRO CC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3ccc4ccccc4c3)N2C1=O ZINC000049877995 562690378 /nfs/dbraw/zinc/69/03/78/562690378.db2.gz MKYCFUQCPNJXDQ-ZIUUJSQJSA-N 1 0 526.681 4.201 1 0 KIAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000049878416 562690574 /nfs/dbraw/zinc/69/05/74/562690574.db2.gz DSICSIFFXHDWFT-RCOXUUTHSA-N 1 0 543.491 4.333 1 0 KIAFRO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)[C@H]4CCC[N@@H+]4Cc4ccccc4)ccc3CC[C@H]2O)cc1 ZINC000049881573 562690934 /nfs/dbraw/zinc/69/09/34/562690934.db2.gz TWWJMRNAXUOBDM-MPFGFTFXSA-N 1 0 533.694 4.179 1 0 KIAFRO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)[C@H]4CCC[N@@H+]4Cc4cccc(C)c4)ccc3CC[C@H]2O)cc1 ZINC000049881661 562690996 /nfs/dbraw/zinc/69/09/96/562690996.db2.gz LUPXVXXXHLDFJG-IDZRBWSNSA-N 1 0 547.721 4.487 1 0 KIAFRO CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H]([NH3+])[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000049881996 562691288 /nfs/dbraw/zinc/69/12/88/562691288.db2.gz PDPFIFMTTODVAM-AOIHNFKZSA-N 1 0 585.782 4.498 1 0 KIAFRO COc1cc2nc(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)nc(NC(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000049888753 562691447 /nfs/dbraw/zinc/69/14/47/562691447.db2.gz BLJRQOVYUKOSPW-SFHVURJKSA-N 1 0 540.064 4.226 1 0 KIAFRO COc1cc2nc(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)nc(NC(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000049888754 562691431 /nfs/dbraw/zinc/69/14/31/562691431.db2.gz BLJRQOVYUKOSPW-GOSISDBHSA-N 1 0 540.064 4.226 1 0 KIAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049888768 562691451 /nfs/dbraw/zinc/69/14/51/562691451.db2.gz BWHZOEZGICUPSW-MPEKPHCYSA-N 1 0 743.902 4.195 1 0 KIAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049888769 562691463 /nfs/dbraw/zinc/69/14/63/562691463.db2.gz BWHZOEZGICUPSW-PVRVKMKPSA-N 1 0 743.902 4.195 1 0 KIAFRO CN(C)C(=O)O[C@@H]1C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)c2nc3ccccc3o2)N(C(=O)[C@@H](CCc2ccccc2)NC(=O)OCc2ccccc2)C1 ZINC000049888818 562691499 /nfs/dbraw/zinc/69/14/99/562691499.db2.gz SQRGUOKOULINJW-HMMMRCIUSA-N 1 0 726.831 4.220 1 0 KIAFRO CN(CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)C[C@@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049888948 562691643 /nfs/dbraw/zinc/69/16/43/562691643.db2.gz NIYQYOHJOKZMEO-FQEVSTJZSA-N 1 0 559.947 4.081 1 0 KIAFRO CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049888949 562691630 /nfs/dbraw/zinc/69/16/30/562691630.db2.gz BXPLSRXZZVZTIM-FQEVSTJZSA-N 1 0 559.947 4.081 1 0 KIAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000049888953 562691651 /nfs/dbraw/zinc/69/16/51/562691651.db2.gz LRSVPGZOJKOJCB-FEEQUYSTSA-N 1 0 739.939 4.304 1 0 KIAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000049888954 562691641 /nfs/dbraw/zinc/69/16/41/562691641.db2.gz LRSVPGZOJKOJCB-NOWQQFBNSA-N 1 0 739.939 4.304 1 0 KIAFRO O=c1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6nc(N7CCN(CCO)CC7)ncc6cc5-c5ccccc5)cc4)CC3)n2)c[nH]1 ZINC000049889220 562691901 /nfs/dbraw/zinc/69/19/01/562691901.db2.gz FMJIJXDBIQVBDD-UHFFFAOYSA-N 1 0 668.806 4.326 1 0 KIAFRO C[NH2+][C@@H](Cn1c(=O)c(-c2cccc(OCC[NH2+]CC(=O)[O-])c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049889334 562692012 /nfs/dbraw/zinc/69/20/12/562692012.db2.gz QTQHJYKPJJNULY-VWLOTQADSA-N 1 0 646.613 4.344 1 0 KIAFRO CC[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c3nc(N)nc4N3CC[NH2+]CC3)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000049889393 562692061 /nfs/dbraw/zinc/69/20/61/562692061.db2.gz YEILLIZHYINUDQ-IKOGOXBZSA-N 1 0 753.027 4.063 1 0 KIAFRO [NH3+]CCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(Cl)cc2)C1=O ZINC000049889518 562692171 /nfs/dbraw/zinc/69/21/71/562692171.db2.gz JKBGYSXWLHTGBA-PXJZQJOASA-N 1 0 572.109 4.319 1 0 KIAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000049898210 562692321 /nfs/dbraw/zinc/69/23/21/562692321.db2.gz GKNDJCUXTFFUMH-ZTALTGERSA-N 1 0 725.912 4.056 1 0 KIAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000049898211 562692318 /nfs/dbraw/zinc/69/23/18/562692318.db2.gz GKNDJCUXTFFUMH-JTZWTTIBSA-N 1 0 725.912 4.056 1 0 KIAFRO [NH3+]CCCC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000049898508 562692596 /nfs/dbraw/zinc/69/25/96/562692596.db2.gz QLDNHZWVHCUXEY-CHQNGUEUSA-N 1 0 679.778 4.003 1 0 KIAFRO COC(=O)[C@@H]1C/C=C/Cc2cc3ccccc3c(c2OC)-c2c3ccccc3cc(c2OC)C[C@@H](NC(C)=O)C(=O)N[C@H](CCCC[NH3+])C(=O)N1 ZINC000049898579 562692659 /nfs/dbraw/zinc/69/26/59/562692659.db2.gz UBNYPKYJUMLTEM-SGEISUONSA-N 1 0 694.829 4.498 1 0 KIAFRO COC(=O)[C@@H]1C/C=C/Cc2cc3ccccc3c(c2OC)-c2c3ccccc3cc(c2OC)C[C@H](NC(C)=O)C(=O)N[C@H](CCCC[NH3+])C(=O)N1 ZINC000049898580 562692654 /nfs/dbraw/zinc/69/26/54/562692654.db2.gz UBNYPKYJUMLTEM-GVNRGLADSA-N 1 0 694.829 4.498 1 0 KIAFRO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049899460 562693147 /nfs/dbraw/zinc/69/31/47/562693147.db2.gz SGJFKFRGJLVMQE-MHZLTWQESA-N 1 0 635.730 4.472 1 0 KIAFRO COC1=C(Br)[C@@H](O)[C@]2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc(CC[NH3+])cc1Br)=NO2 ZINC000049908014 562693429 /nfs/dbraw/zinc/69/34/29/562693429.db2.gz DJOILUOUAWXGIG-CTNGQTDRSA-N 1 0 717.047 4.019 1 0 KIAFRO COc1ccc([C@@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000049908027 562693444 /nfs/dbraw/zinc/69/34/44/562693444.db2.gz KKPPZWWZYZHQFQ-ZPGRZCPFSA-N 1 0 623.798 4.425 1 0 KIAFRO COc1ccc([C@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000049908028 562693435 /nfs/dbraw/zinc/69/34/35/562693435.db2.gz KKPPZWWZYZHQFQ-MPQUPPDSSA-N 1 0 623.798 4.425 1 0 KIAFRO CCCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCCCC1)cc3N(CC)S(=O)(=O)CC2 ZINC000049917549 562693589 /nfs/dbraw/zinc/69/35/89/562693589.db2.gz JFLPFGADJUSGGG-MFMCTBQISA-N 1 0 580.795 4.388 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCCc2ccc(OC)cc2)cc(N2CCCC2=O)c1 ZINC000049917574 562693533 /nfs/dbraw/zinc/69/35/33/562693533.db2.gz UZCUXUPQMUOPRQ-IOWSJCHKSA-N 1 0 558.723 4.178 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)CCCC(C)C)cc(N2CCCS2(=O)=O)c1 ZINC000049917595 562693639 /nfs/dbraw/zinc/69/36/39/562693639.db2.gz WLMUTGRGSLTSHX-WTWMYVDVSA-N 1 0 558.789 4.165 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2C3CC4CC(C3)CC2C4)cc(N2CCCCS2(=O)=O)c1 ZINC000049917637 562693671 /nfs/dbraw/zinc/69/36/71/562693671.db2.gz AZBKVGNIUFKHPZ-NNNGEBFXSA-N 1 0 594.822 4.165 1 0 KIAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4ccsc4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049917656 562693709 /nfs/dbraw/zinc/69/37/09/562693709.db2.gz IVFQOPBAGUEYGL-CQTOTRCISA-N 1 0 615.800 4.491 1 0 KIAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4ccsc4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049917658 562693712 /nfs/dbraw/zinc/69/37/12/562693712.db2.gz IVFQOPBAGUEYGL-WEZIJMHWSA-N 1 0 615.800 4.491 1 0 KIAFRO Oc1ccc(CCNc2nc(NCCCOc3ccccc3-c3ccc(F)cc3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000049917665 562693748 /nfs/dbraw/zinc/69/37/48/562693748.db2.gz DVQFGJUREMLUKC-UHFFFAOYSA-N 1 0 543.647 4.329 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2(CC)CCCCC2)cc(N2CCCCS2(=O)=O)c1 ZINC000049917726 562693809 /nfs/dbraw/zinc/69/38/09/562693809.db2.gz ALUZEDVQRBRKKR-URLMMPGGSA-N 1 0 570.800 4.453 1 0 KIAFRO COc1cc(F)c2ncc(Cl)c([C@H](O)C[NH+]3CCC(NC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)c2c1 ZINC000049918014 562694322 /nfs/dbraw/zinc/69/43/22/562694322.db2.gz OOGRJNBRSMGUKT-OAQYLSRUSA-N 1 0 545.036 4.008 1 0 KIAFRO COc1cc(F)c2ncc(Cl)c([C@@H](O)C[NH+]3CCC(NC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)c2c1 ZINC000049918015 562694320 /nfs/dbraw/zinc/69/43/20/562694320.db2.gz OOGRJNBRSMGUKT-NRFANRHFSA-N 1 0 545.036 4.008 1 0 KIAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4ccsc4)N4CCN(c5ccccc5)CC4)CC3)c2c1 ZINC000049918018 562694342 /nfs/dbraw/zinc/69/43/42/562694342.db2.gz PKSBJDPVLRNNHF-AJQTZOPKSA-N 1 0 585.774 4.482 1 0 KIAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4ccsc4)N4CCN(c5ccccc5)CC4)CC3)c2c1 ZINC000049918019 562694309 /nfs/dbraw/zinc/69/43/09/562694309.db2.gz PKSBJDPVLRNNHF-ACHIHNKUSA-N 1 0 585.774 4.482 1 0 KIAFRO CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(OC)c1)cc2N1CCCCS1(=O)=O ZINC000049918073 562694414 /nfs/dbraw/zinc/69/44/14/562694414.db2.gz SACRYONNBDDJPB-IGYGKHONSA-N 1 0 604.773 4.161 1 0 KIAFRO COc1cc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C3CCCC3)cc(N3CCCS3(=O)=O)c2)cc(OC)c1 ZINC000049918086 562694429 /nfs/dbraw/zinc/69/44/29/562694429.db2.gz FUYJQBHHHAEVSP-JHOUSYSJSA-N 1 0 621.800 4.393 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)C)cc(N2C[C@H](c3ccccc3)CCS2(=O)=O)c1 ZINC000049918115 562694491 /nfs/dbraw/zinc/69/44/91/562694491.db2.gz JMYMKQZQKMAKRI-SATCGAIXSA-N 1 0 578.779 4.142 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C(C)C)cc(N2C[C@@H](c3ccccc3)CCS2(=O)=O)c1 ZINC000049918116 562694508 /nfs/dbraw/zinc/69/45/08/562694508.db2.gz JMYMKQZQKMAKRI-HOSFBAFGSA-N 1 0 578.779 4.142 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(-c3cncnc3)c2)cc(N2CCCC2=O)c1 ZINC000049918118 562694488 /nfs/dbraw/zinc/69/44/88/562694488.db2.gz MUMHZHGRUSOYTJ-AJQTZOPKSA-N 1 0 578.717 4.194 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccoc2)[C@H](O)C[NH2+][C@@H](C)CCCC(C)C)cc(N2CCCCS2(=O)=O)c1 ZINC000049918176 562694587 /nfs/dbraw/zinc/69/45/87/562694587.db2.gz KDDRUDWHMWFWDS-QLCOJLISSA-N 1 0 562.777 4.148 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccoc2)[C@H](O)C[NH2+][C@H](C)CCCC(C)C)cc(N2CCCCS2(=O)=O)c1 ZINC000049918177 562694538 /nfs/dbraw/zinc/69/45/38/562694538.db2.gz KDDRUDWHMWFWDS-KKVCJECGSA-N 1 0 562.777 4.148 1 0 KIAFRO C[N@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(Cl)cc3Cl)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049938089 562695047 /nfs/dbraw/zinc/69/50/47/562695047.db2.gz NXLJAXRQGLHHAW-GDLZYMKVSA-N 1 0 628.467 4.113 1 0 KIAFRO C[N@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(Cl)cc3Cl)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049938091 562695057 /nfs/dbraw/zinc/69/50/57/562695057.db2.gz NXLJAXRQGLHHAW-LJAQVGFWSA-N 1 0 628.467 4.113 1 0 KIAFRO NC(=[NH2+])NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000049942267 562695401 /nfs/dbraw/zinc/69/54/01/562695401.db2.gz GBTCAHLJDYHAKJ-OQIMXIDESA-N 1 0 632.809 4.031 1 0 KIAFRO CCN1C(N(C)C)=[NH+]c2ccccc2[C@H]1CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000049942275 562695411 /nfs/dbraw/zinc/69/54/11/562695411.db2.gz UBFZYFFOQNFRPD-AREMUKBSSA-N 1 0 519.671 4.428 1 0 in-vivo KIAFRO CCN1C(N(C)C)=[NH+]c2ccccc2[C@@H]1CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000049942276 562695438 /nfs/dbraw/zinc/69/54/38/562695438.db2.gz UBFZYFFOQNFRPD-SANMLTNESA-N 1 0 519.671 4.428 1 0 in-vivo KIAFRO CCN1C(N(C)C)=[NH+]c2ccccc2[C@H]1CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000049942280 562695408 /nfs/dbraw/zinc/69/54/08/562695408.db2.gz HWGHVXQPQONJBP-RUZDIDTESA-N 1 0 523.634 4.259 1 0 in-vivo KIAFRO CCN1C(N(C)C)=[NH+]c2ccccc2[C@@H]1CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000049942281 562695435 /nfs/dbraw/zinc/69/54/35/562695435.db2.gz HWGHVXQPQONJBP-VWLOTQADSA-N 1 0 523.634 4.259 1 0 in-vivo KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H](C)CCCC(C)C)cc(N2CCCS2(=O)=O)c1 ZINC000053046009 562696132 /nfs/dbraw/zinc/69/61/32/562696132.db2.gz WLMUTGRGSLTSHX-LDVROUIZSA-N 1 0 558.789 4.165 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]Cc3cccc(F)c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000053084506 562696201 /nfs/dbraw/zinc/69/62/01/562696201.db2.gz OLGPRXCDUWIWSG-QNMIOERPSA-N 1 0 507.514 4.043 1 0 KIAFRO CC[NH+]1CCN(c2cccc3c2CN([C@@H](CCCNS(=O)(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 ZINC000053146548 562696324 /nfs/dbraw/zinc/69/63/24/562696324.db2.gz MWCLCGKVMLYVJI-VWLOTQADSA-N 1 0 598.791 4.363 1 0 KIAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1 ZINC000053186795 562696423 /nfs/dbraw/zinc/69/64/23/562696423.db2.gz HXZDICYKFAOZLE-UHFFFAOYSA-N 1 0 518.597 4.222 1 0 in-vitro KIAFRO CNC(=O)c1cc(F)ccc1Nc1nc(Nc2ccc(N3CC[NH+](C(C)C)CC3)cc2OC)nc2[nH]ccc21 ZINC000053190828 562696409 /nfs/dbraw/zinc/69/64/09/562696409.db2.gz OTUVWYSSKZWHPS-UHFFFAOYSA-N 1 0 532.624 4.483 1 0 KIAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2ccccc2C(N)=O)n1 ZINC000053194049 562696438 /nfs/dbraw/zinc/69/64/38/562696438.db2.gz UXMMQYWYTBBUJM-UHFFFAOYSA-N 1 0 500.607 4.083 1 0 KIAFRO Cc1oncc1C(=O)Nc1ccc(C)c(C(=O)Nc2cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc2)c1 ZINC000053214542 562696444 /nfs/dbraw/zinc/69/64/44/562696444.db2.gz UIESULVIFHCGIY-UHFFFAOYSA-N 1 0 526.601 4.081 1 0 KIAFRO OCC12C3N(Cc4ccccc4)C4C(CO)(C5[NH+](Cc6ccccc6)C1C3(CO)C(c1ccccc1)C45CO)C2c1ccccc1 ZINC000053218944 562696484 /nfs/dbraw/zinc/69/64/84/562696484.db2.gz MHLQADKLDLZTOZ-UHFFFAOYSA-N 1 0 614.786 4.016 1 0 KIAFRO CCOc1ccccc1OCCN1CCN(c2cnn(CCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000053275889 562697026 /nfs/dbraw/zinc/69/70/26/562697026.db2.gz KBWJALZVQKHVAK-UHFFFAOYSA-N 1 0 639.241 4.496 1 0 KIAFRO COc1ccccc1OCCN1CCN(c2cnn(CCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000053275890 562697002 /nfs/dbraw/zinc/69/70/02/562697002.db2.gz NVWZPUBECKHMAB-UHFFFAOYSA-N 1 0 625.214 4.106 1 0 KIAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2ccc(F)cc2C(N)=O)n1 ZINC000053276066 562697056 /nfs/dbraw/zinc/69/70/56/562697056.db2.gz IBROMPXLFSIBRF-UHFFFAOYSA-N 1 0 518.597 4.222 1 0 KIAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2cc(F)ccc2C(N)=O)n1 ZINC000053276068 562697071 /nfs/dbraw/zinc/69/70/71/562697071.db2.gz NSJFKRFDKHDDIJ-UHFFFAOYSA-N 1 0 518.597 4.222 1 0 KIAFRO Cc1c(C(=O)Nc2ccccc2)[n+](=O)c2cc(CN3CCN(C/C=C/c4ccccc4)CC3)ccc2n1O ZINC000053276291 562697098 /nfs/dbraw/zinc/69/70/98/562697098.db2.gz KHNUZIMLALXIOI-DHZHZOJOSA-O 1 0 510.618 4.185 1 0 KIAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2cc(F)cc(F)c2C(N)=O)n1 ZINC000053277627 562697140 /nfs/dbraw/zinc/69/71/40/562697140.db2.gz FQMKFSBHRHOBPI-UHFFFAOYSA-N 1 0 536.587 4.361 1 0 KIAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2ccc(F)c(F)c2C(N)=O)n1 ZINC000053277673 562697133 /nfs/dbraw/zinc/69/71/33/562697133.db2.gz QYJJQYYMVLXSDU-UHFFFAOYSA-N 1 0 536.587 4.361 1 0 KIAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2cc(F)c(F)cc2C(N)=O)n1 ZINC000053287719 562697164 /nfs/dbraw/zinc/69/71/64/562697164.db2.gz QESXNQJYKSVPFY-UHFFFAOYSA-N 1 0 536.587 4.361 1 0 KIAFRO CNC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(N3CC[NH+](C(C)C)CC3)cc2OC)nc2[nH]ccc21 ZINC000053287723 562697178 /nfs/dbraw/zinc/69/71/78/562697178.db2.gz ULDVOXNXKFGVKQ-UHFFFAOYSA-N 1 0 532.624 4.483 1 0 KIAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1N(C)c1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1 ZINC000053287751 562697146 /nfs/dbraw/zinc/69/71/46/562697146.db2.gz XJGFQDYSGOPSNP-UHFFFAOYSA-N 1 0 532.624 4.246 1 0 KIAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2c(ccn2C)c(Nc2cccc(F)c2C(N)=O)n1 ZINC000053287786 562697167 /nfs/dbraw/zinc/69/71/67/562697167.db2.gz OUWROBCRBMNFHE-UHFFFAOYSA-N 1 0 532.624 4.233 1 0 KIAFRO COc1cc(N2CC[NH+](C(C)C)CC2)c(OC)cc1Nc1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1 ZINC000053287788 562697188 /nfs/dbraw/zinc/69/71/88/562697188.db2.gz KXYLUJKFWHBNMG-UHFFFAOYSA-N 1 0 548.623 4.231 1 0 KIAFRO CCC[NH+]1CCN(c2ccc(Nc3nc4[nH]ccc4c(Nc4cc(F)ccc4C(N)=O)n3)c(OC)c2)CC1 ZINC000053287974 562697152 /nfs/dbraw/zinc/69/71/52/562697152.db2.gz WDQRIUWJCINPFK-UHFFFAOYSA-N 1 0 518.597 4.224 1 0 KIAFRO O=C(NCc1cc(-c2ccc(=O)n(CCC[NH+]3CCC(N4CCCC4=O)CC3)n2)ccc1Cl)c1ccc(F)cc1 ZINC000053293604 562697172 /nfs/dbraw/zinc/69/71/72/562697172.db2.gz PQDLIGCMGDLQDY-UHFFFAOYSA-N 1 0 566.077 4.110 1 0 KIAFRO COCCNC(=O)c1cc(F)ccc1Nc1nc(Nc2ccc(N3CC[NH+](C(C)C)CC3)cc2OC)nc2[nH]ccc21 ZINC000055760859 562697748 /nfs/dbraw/zinc/69/77/48/562697748.db2.gz ASNDXJNBHVPPGQ-UHFFFAOYSA-N 1 0 576.677 4.499 1 0 KIAFRO Ic1ccc(Cn2cc[n+](Cc3ccc(I)cc3)c2)cc1 ZINC000058468635 562697947 /nfs/dbraw/zinc/69/79/47/562697947.db2.gz XGVHNYCIBPVPTK-UHFFFAOYSA-N 1 0 501.129 4.081 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(I)c2)CCCCC1 ZINC000058487737 562698183 /nfs/dbraw/zinc/69/81/83/562698183.db2.gz NMVADCDYVIVWHB-XZOQPEGZSA-N 1 0 542.408 4.427 1 0 KIAFRO CCN(C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2Cc3ccccc3N2)CC1)S(C)(=O)=O ZINC000058492142 562698221 /nfs/dbraw/zinc/69/82/21/562698221.db2.gz RZXIDOYEKBWJOX-AFEGNUHBSA-N 1 0 658.309 4.169 1 0 KIAFRO C[N@@H+]1CCC[C@H]1CCNC(=O)OCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000058498180 562698232 /nfs/dbraw/zinc/69/82/32/562698232.db2.gz GRHFGPUSCILVJD-FCHUYYIVSA-N 1 0 506.068 4.451 1 0 KIAFRO CC(C)N(C[C@@H](N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)(C)C)S(C)(=O)=O ZINC000058498956 562698251 /nfs/dbraw/zinc/69/82/51/562698251.db2.gz LEBMPCXJMQSILA-BFLUCZKCSA-N 1 0 570.791 4.008 1 0 KIAFRO CC(C)C[C@@H](CN(C(C)C)S(C)(=O)=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000058506618 562698345 /nfs/dbraw/zinc/69/83/45/562698345.db2.gz PIZZMBOKKTYTAJ-AYRHNUGRSA-N 1 0 570.791 4.008 1 0 KIAFRO CC(C)[C@@H]1NC(=O)/C=C\CCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000058507453 562698389 /nfs/dbraw/zinc/69/83/89/562698389.db2.gz QTAYUWFZSBEHPK-RJIXJEKSSA-N 1 0 624.867 4.130 1 0 KIAFRO O=C1CC[C@](CCN2CC([N@@H+]3CC[C@@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000058519458 562698511 /nfs/dbraw/zinc/69/85/11/562698511.db2.gz UXOFSGJDRPUGPP-YIXXDRMTSA-N 1 0 502.486 4.195 1 0 KIAFRO O=C(N[C@@H](CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)nn3)C[C@H]2C1)c1cccc(F)c1)C1CCCC1 ZINC000058519596 562698487 /nfs/dbraw/zinc/69/84/87/562698487.db2.gz VKXLIDVVAXCWKA-VWPQPMDRSA-N 1 0 533.570 4.076 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(N3CCCOCC3)c2)CCCCC1 ZINC000058519991 562698493 /nfs/dbraw/zinc/69/84/93/562698493.db2.gz LKMGTFRKDSLFSR-WUFINQPMSA-N 1 0 515.645 4.049 1 0 KIAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 ZINC000058533034 562698651 /nfs/dbraw/zinc/69/86/51/562698651.db2.gz GUAYHTLGOSYHNP-JIMJEQGWSA-N 1 0 518.061 4.024 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(N3CCCCC3=O)c2)CCCCC1 ZINC000058538202 562698772 /nfs/dbraw/zinc/69/87/72/562698772.db2.gz KNSUFDSYTXUXKM-RRPNLBNLSA-N 1 0 513.629 4.339 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc([C@@H]3CCOCOC3)c2)CCCCC1 ZINC000058538316 562698807 /nfs/dbraw/zinc/69/88/07/562698807.db2.gz SNCUIVJNMNJXKM-KEKPKEOLSA-N 1 0 516.629 4.300 1 0 KIAFRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000058543516 562699036 /nfs/dbraw/zinc/69/90/36/562699036.db2.gz CJGANXISTMOLNK-FSSWDIPSSA-N 1 0 544.540 4.211 1 0 KIAFRO CN(CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)C[C@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000058553276 562699205 /nfs/dbraw/zinc/69/92/05/562699205.db2.gz NIYQYOHJOKZMEO-HXUWFJFHSA-N 1 0 559.947 4.081 1 0 KIAFRO CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000058553279 562699207 /nfs/dbraw/zinc/69/92/07/562699207.db2.gz BXPLSRXZZVZTIM-HXUWFJFHSA-N 1 0 559.947 4.081 1 0 KIAFRO CN1CCN(CC(=O)N[C@@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000058559413 562699304 /nfs/dbraw/zinc/69/93/04/562699304.db2.gz RDNNQBIJCSTXLF-ZIQMFUFLSA-N 1 0 500.731 4.325 1 0 KIAFRO COc1cc2nc(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)nc([C@H](O)c3ccc(Cl)cc3)c2cc1OC ZINC000058559838 562699331 /nfs/dbraw/zinc/69/93/31/562699331.db2.gz RSOCATRKPYCPKS-DNOBIOAJSA-N 1 0 527.065 4.055 1 0 KIAFRO CC(C)NC(=O)Cn1c(=O)c2cc(OCCC[NH+]3CCCCC3)cn2cc1-c1ccc(F)c(Cl)c1 ZINC000058575281 562699596 /nfs/dbraw/zinc/69/95/96/562699596.db2.gz QIVLYOBLWZRFOG-UHFFFAOYSA-N 1 0 503.018 4.340 1 0 KIAFRO O=C(C1CC[NH+](Cc2ccncc2)CC1)N1CCC(n2c3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000058581070 562699776 /nfs/dbraw/zinc/69/97/76/562699776.db2.gz IVUVZXDTPUJHFC-UHFFFAOYSA-N 1 0 509.654 4.322 1 0 KIAFRO O=C(C1CC[NH+](Cc2ccncc2)CC1)N1CCC(n2c3ccccc3n(CCOc3ccccc3)c2=O)CC1 ZINC000058581080 562699782 /nfs/dbraw/zinc/69/97/82/562699782.db2.gz QEXOFWNDNHZFRD-UHFFFAOYSA-N 1 0 539.680 4.353 1 0 KIAFRO C[NH+](C)CCCc1c(C=C2c3cc(NS(=O)(=O)c4ccccc4)ccc3NC2=O)[nH]c2c1C(=O)CCC2 ZINC000058581199 562699754 /nfs/dbraw/zinc/69/97/54/562699754.db2.gz VMUAYDSPKYLLJV-XLNRJJMWSA-N 1 0 518.639 4.321 1 0 KIAFRO O=C(Nc1ccc(Cl)cc1)[C@H]1C[N@@H+](Cc2ccncc2)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000058581941 562699863 /nfs/dbraw/zinc/69/98/63/562699863.db2.gz OOXBKWWZPJXELZ-ZEQRLZLVSA-N 1 0 546.002 4.350 1 0 KIAFRO O=C(Nc1ccc(Cl)cc1)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000058582331 562699934 /nfs/dbraw/zinc/69/99/34/562699934.db2.gz VQWDOJFHEGVRDZ-VXKWHMMOSA-N 1 0 508.981 4.165 1 0 KIAFRO CC(C)NC(=O)Cn1c(=O)c2cc(OCCC[N@@H+]3CCC[C@H](F)C3)cn2cc1-c1cccc(Cl)c1 ZINC000058582840 562699993 /nfs/dbraw/zinc/69/99/93/562699993.db2.gz ZXBFKHOUDKYVCW-NRFANRHFSA-N 1 0 503.018 4.149 1 0 KIAFRO COc1ccc(Cn2c3ccccc3n(C3CCN(C(=O)C4CC[NH+](Cc5ccncc5)CC4)CC3)c2=O)cc1 ZINC000058582858 562699971 /nfs/dbraw/zinc/69/99/71/562699971.db2.gz RJIDHAYRLDHKFI-UHFFFAOYSA-N 1 0 539.680 4.331 1 0 KIAFRO COC(=O)CCCCCCC(=O)NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 ZINC000058582923 562700027 /nfs/dbraw/zinc/70/00/27/562700027.db2.gz BYHPCDDUBAZYAA-SSEXGKCCSA-N 1 0 643.785 4.260 1 0 KIAFRO CC(C)NC(=O)Cn1c(=O)c2cc(OCCC[NH+]3CCCCC3)cn2cc1-c1cc(Cl)ccc1F ZINC000058583399 562700068 /nfs/dbraw/zinc/70/00/68/562700068.db2.gz OZFQIBCAEVCCTF-UHFFFAOYSA-N 1 0 503.018 4.340 1 0 KIAFRO C[NH2+]Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000058591613 562700454 /nfs/dbraw/zinc/70/04/54/562700454.db2.gz ZXQGTJMXGDEAOA-CTAQNPQRSA-N 1 0 665.736 4.423 1 0 KIAFRO CC(C)NC(=O)Cn1c(=O)c2cc(OCCC[NH+]3CCCCC3)nn2cc1-c1ccc(F)c(C(F)(F)F)c1 ZINC000058591708 562700495 /nfs/dbraw/zinc/70/04/95/562700495.db2.gz HSGKWJPZSGUDTI-UHFFFAOYSA-N 1 0 537.558 4.100 1 0 KIAFRO CC(C)NC(=O)Cn1c(=O)c2cc(N3CCCC4(CC[NH+](C)CC4)C3)cn2cc1-c1cccc(Cl)c1 ZINC000058592036 562700525 /nfs/dbraw/zinc/70/05/25/562700525.db2.gz WWPRJYZFGSAFTR-UHFFFAOYSA-N 1 0 510.082 4.258 1 0 KIAFRO CC(C)NC(=O)Cn1c(=O)c2cc(N3CCC([NH+]4CCCCC4)CC3)cn2cc1-c1cccc(Cl)c1 ZINC000058592264 562700583 /nfs/dbraw/zinc/70/05/83/562700583.db2.gz QSHITXWINJBTRP-UHFFFAOYSA-N 1 0 510.082 4.401 1 0 KIAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000058596430 562700670 /nfs/dbraw/zinc/70/06/70/562700670.db2.gz LNHYSNXQZLAEBY-QHGISUJSSA-N 1 0 577.766 4.139 1 0 KIAFRO C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(N2CC[NH2+][C@@H](C)C2)cc1Cl ZINC000058598813 562700771 /nfs/dbraw/zinc/70/07/71/562700771.db2.gz DRCFLTJGTPNADQ-JKSUJKDBSA-N 1 0 535.007 4.195 1 0 KIAFRO CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@H](C(N)=O)[C@H]1c1ccc(OC)cc1 ZINC000058604156 562700964 /nfs/dbraw/zinc/70/09/64/562700964.db2.gz QFVSJYNKQYXIFC-KEKPKEOLSA-N 1 0 509.647 4.095 1 0 KIAFRO CS(=O)(=O)N(c1ccccc1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCCCC2)c1 ZINC000058608324 562700933 /nfs/dbraw/zinc/70/09/33/562700933.db2.gz FEOZKBJQAROHID-URLMMPGGSA-N 1 0 535.710 4.409 1 0 KIAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCN2CCOCC2)[C@@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000058638944 562701222 /nfs/dbraw/zinc/70/12/22/562701222.db2.gz YTBYOWZWBDYLQF-BYHVZLFPSA-N 1 0 577.528 4.331 1 0 in-vitro KIAFRO CCOC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OCC)(C1=O)[C@H](c1ccc(Cl)cc1)N(C)[C@H]2c1ccc(Cl)cc1 ZINC000058655348 562701349 /nfs/dbraw/zinc/70/13/49/562701349.db2.gz QRAPNWUNVRQZHN-RGXZNCPUSA-N 1 0 533.452 4.335 1 0 KIAFRO C[NH+](C)CCCc1c(C=C2c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3NC2=O)[nH]c2c1C(=O)CCC2 ZINC000058655522 562701370 /nfs/dbraw/zinc/70/13/70/562701370.db2.gz WHFRCTYFOGGZAU-NKFKGCMQSA-N 1 0 544.677 4.272 1 0 KIAFRO COc1cccc(Cn2c3ccccc3n(C3CCN(C(=O)C4CC[NH+](Cc5ccncc5)CC4)CC3)c2=O)c1 ZINC000058660964 562701406 /nfs/dbraw/zinc/70/14/06/562701406.db2.gz LJHSDTNRTCEUNM-UHFFFAOYSA-N 1 0 539.680 4.331 1 0 KIAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1C(F)(F)F ZINC000059047495 562701666 /nfs/dbraw/zinc/70/16/66/562701666.db2.gz CYFCCVYVFDZDGY-SXOMAYOGSA-N 1 0 606.711 4.073 1 0 KIAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1C(F)(F)F ZINC000059047498 562701690 /nfs/dbraw/zinc/70/16/90/562701690.db2.gz CYFCCVYVFDZDGY-KAYWLYCHSA-N 1 0 606.711 4.073 1 0 KIAFRO CC[NH+](CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(N4CCOCC4)ccc3Cl)sc2c1 ZINC000059254588 562701918 /nfs/dbraw/zinc/70/19/18/562701918.db2.gz WARRHAYFCANTSN-UHFFFAOYSA-N 1 0 594.159 4.254 1 0 KIAFRO CCOc1cc([C@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2cccc(S(N)(=O)=O)c2)ccc1OC(C)C ZINC000059374568 562702038 /nfs/dbraw/zinc/70/20/38/562702038.db2.gz SPHDBMSKHYVTNQ-MHZLTWQESA-N 1 0 563.680 4.120 1 0 KIAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2cccc(S(N)(=O)=O)c2)ccc1OC(C)C ZINC000059374570 562702034 /nfs/dbraw/zinc/70/20/34/562702034.db2.gz SPHDBMSKHYVTNQ-HHHXNRCGSA-N 1 0 563.680 4.120 1 0 in-vitro KIAFRO CCOc1cc([C@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2cccc(NS(N)(=O)=O)c2)ccc1OC(C)C ZINC000059375483 562702020 /nfs/dbraw/zinc/70/20/20/562702020.db2.gz VHOFWOMEJCOQHS-MHZLTWQESA-N 1 0 578.695 4.088 1 0 KIAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2cccc(NS(N)(=O)=O)c2)ccc1OC(C)C ZINC000059375487 562702024 /nfs/dbraw/zinc/70/20/24/562702024.db2.gz VHOFWOMEJCOQHS-HHHXNRCGSA-N 1 0 578.695 4.088 1 0 KIAFRO CC[NH+](CC)CCN(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1ccc2ccccc2c1 ZINC000059584675 562702053 /nfs/dbraw/zinc/70/20/53/562702053.db2.gz BSURVCPNUZUCMK-UHFFFAOYSA-N 1 0 578.779 4.400 1 0 KIAFRO C[C@@H]1CN(Cc2ccc(-c3cccnc3S(=O)(=O)N3CCC(Nc4ccccc4F)CC3)cc2F)C[C@H](C)[NH2+]1 ZINC000059634979 562702079 /nfs/dbraw/zinc/70/20/79/562702079.db2.gz ZEHHXSJALXOZOS-OYRHEFFESA-N 1 0 555.695 4.474 1 0 KIAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H](C)c2ccccc2)cc(N2CCCC2=O)c1 ZINC000059686678 562702141 /nfs/dbraw/zinc/70/21/41/562702141.db2.gz DUSOLAHJRJHBFU-MXUAVAHLSA-N 1 0 514.670 4.298 1 0 KIAFRO CC(C)(C)[NH2+]CC1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1 ZINC000060326059 562702646 /nfs/dbraw/zinc/70/26/46/562702646.db2.gz VNNQIPQHGQKABG-UHFFFAOYSA-N 1 0 533.332 4.027 1 0 KIAFRO C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[NH+](Cc2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326408 562702656 /nfs/dbraw/zinc/70/26/56/562702656.db2.gz JOLQWVUABOYHJX-IBGZPJMESA-N 1 0 593.647 4.353 1 0 KIAFRO C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[NH+](Cc2ccccc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326409 562702681 /nfs/dbraw/zinc/70/26/81/562702681.db2.gz JOLQWVUABOYHJX-LJQANCHMSA-N 1 0 593.647 4.353 1 0 KIAFRO C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[NH+](C2CCCCC2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328406 562702762 /nfs/dbraw/zinc/70/27/62/562702762.db2.gz ODGZOAFYYQRYBZ-SFHVURJKSA-N 1 0 585.668 4.486 1 0 KIAFRO C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[NH+](C2CCCCC2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328407 562702810 /nfs/dbraw/zinc/70/28/10/562702810.db2.gz ODGZOAFYYQRYBZ-GOSISDBHSA-N 1 0 585.668 4.486 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc([C@H]3CCOCOC3)c2)CCCCC1 ZINC000062224449 562704397 /nfs/dbraw/zinc/70/43/97/562704397.db2.gz SNCUIVJNMNJXKM-MXSCXNJPSA-N 1 0 516.629 4.300 1 0 KIAFRO CC(=O)N1CC[NH+](C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c3ncnc4N)CC2)CC1 ZINC000063298062 562704451 /nfs/dbraw/zinc/70/44/51/562704451.db2.gz GXJSLIOOPZRPEV-UHFFFAOYSA-N 1 0 591.720 4.467 1 0 KIAFRO CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc32)n(-c2cccc(C(=O)N(CC[NH3+])CCO)c2)n1 ZINC000063540259 562704507 /nfs/dbraw/zinc/70/45/07/562704507.db2.gz XMEBXAAIDQRNQS-UHFFFAOYSA-N 1 0 514.630 4.360 1 0 KIAFRO CC(C)N(C[C@H](N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)(C)C)S(C)(=O)=O ZINC000064261565 562704647 /nfs/dbraw/zinc/70/46/47/562704647.db2.gz LEBMPCXJMQSILA-GSLIJJQTSA-N 1 0 570.791 4.008 1 0 KIAFRO CC(C)C[C@H](CN(C(C)C)S(C)(=O)=O)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064277716 562704673 /nfs/dbraw/zinc/70/46/73/562704673.db2.gz PIZZMBOKKTYTAJ-DMTNHVFBSA-N 1 0 570.791 4.008 1 0 KIAFRO CC(C)NC(=O)Cn1c(=O)c2cc(OCCC[N@@H+]3CCC[C@@H](F)C3)cn2cc1-c1cccc(Cl)c1 ZINC000064379331 562704886 /nfs/dbraw/zinc/70/48/86/562704886.db2.gz ZXBFKHOUDKYVCW-OAQYLSRUSA-N 1 0 503.018 4.149 1 0 KIAFRO CS[C@@H]1O[C@H](COCc2ccc3ccccc3c2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CC[NH3+] ZINC000064448277 562705506 /nfs/dbraw/zinc/70/55/06/562705506.db2.gz MUHCKMPUSDXVPC-VXEMTOTPSA-N 1 0 560.716 4.377 1 0 KIAFRO CCC[N@H+](CCN1CCN(c2ccc(I)cc2)CC1)[C@@H]1CCc2ccc(O)cc2C1 ZINC000064459450 562705778 /nfs/dbraw/zinc/70/57/78/562705778.db2.gz DFALWOBBEKTUMZ-XMMPIXPASA-N 1 0 519.471 4.388 1 0 KIAFRO CCC[N@H+](CCN1CCN(c2ccc(I)cc2)CC1)[C@H]1CCc2ccc(O)cc2C1 ZINC000064459452 562705729 /nfs/dbraw/zinc/70/57/29/562705729.db2.gz DFALWOBBEKTUMZ-DEOSSOPVSA-N 1 0 519.471 4.388 1 0 KIAFRO Cc1ccc2c(cccc2N2CC[NH+](CCc3cccc4c3OCc3c(C(=O)NC(C)C)ncn3-4)CC2)n1 ZINC000064479859 562705875 /nfs/dbraw/zinc/70/58/75/562705875.db2.gz KPSUZBNHNICQLT-UHFFFAOYSA-N 1 0 510.642 4.124 1 0 KIAFRO CC(C)(Cc1cccc(CC(=O)NCc2ccc3cc(O)ccc3c2)c1)[NH2+]C[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 ZINC000064490695 562705912 /nfs/dbraw/zinc/70/59/12/562705912.db2.gz FJTDUQZQFNOEFI-PMERELPUSA-N 1 0 591.730 4.126 1 0 KIAFRO Cc1c(F)cccc1Cc1c(C(=O)N2CC[NH2+]CC2)c2ccc(S(C)(=O)=O)cc2n1-c1ccccc1 ZINC000064512366 562706230 /nfs/dbraw/zinc/70/62/30/562706230.db2.gz RHPAQPBPLHLIIP-UHFFFAOYSA-N 1 0 505.615 4.118 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3ccccc3)C3CCN(S(=O)(=O)C4CCCC4)CC3)C[C@@H]2C1 ZINC000064512671 562706268 /nfs/dbraw/zinc/70/62/68/562706268.db2.gz CQYCMWWFCABFOP-LXQNXJGFSA-N 1 0 579.811 4.256 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3ccccc3)C3CCN(S(=O)(=O)C4CCCC4)CC3)C[C@@H]2C1 ZINC000064512675 562706292 /nfs/dbraw/zinc/70/62/92/562706292.db2.gz CQYCMWWFCABFOP-OYKXOOMRSA-N 1 0 579.811 4.256 1 0 KIAFRO Cc1cccc(Cl)c1S(=O)(=O)C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC000064512683 562706273 /nfs/dbraw/zinc/70/62/73/562706273.db2.gz DWWHWVCKVLLGRC-NXCFDTQHSA-N 1 0 608.226 4.251 1 0 KIAFRO Cc1cccc(Cl)c1S(=O)(=O)C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC000064512686 562706256 /nfs/dbraw/zinc/70/62/56/562706256.db2.gz DWWHWVCKVLLGRC-UODIDJSMSA-N 1 0 608.226 4.251 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3cccc(F)c3)C3CCN(CC(F)F)CC3)C[C@@H]2C1 ZINC000064513514 562706441 /nfs/dbraw/zinc/70/64/41/562706441.db2.gz LLEJRCRDMYBLEH-RMTZWNOUSA-N 1 0 529.651 4.387 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3cccc(F)c3)C3CCN(CC(F)F)CC3)C[C@@H]2C1 ZINC000064513516 562706424 /nfs/dbraw/zinc/70/64/24/562706424.db2.gz LLEJRCRDMYBLEH-GSLIJJQTSA-N 1 0 529.651 4.387 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H](c3ccccc3)C3CCN(C(=O)NC(C)C)CC3)C[C@@H]2C1 ZINC000064513915 562706486 /nfs/dbraw/zinc/70/64/86/562706486.db2.gz CARDPTQGMCTXQR-IARZGTGTSA-N 1 0 532.733 4.101 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](c3ccccc3)C3CCN(C(=O)NC(C)C)CC3)C[C@@H]2C1 ZINC000064513917 562706478 /nfs/dbraw/zinc/70/64/78/562706478.db2.gz CARDPTQGMCTXQR-OZNIXHKMSA-N 1 0 532.733 4.101 1 0 KIAFRO C[N@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 ZINC000064513976 562706458 /nfs/dbraw/zinc/70/64/58/562706458.db2.gz XNIBNXXHIJXLRT-PKTZIBPZSA-N 1 0 592.606 4.321 1 0 KIAFRO Cc1ccc2c(cccc2N2CC[NH+](CCc3cccc4c3OCc3c(C(=O)NC5CCC5)ncn3-4)CC2)n1 ZINC000064516308 562706539 /nfs/dbraw/zinc/70/65/39/562706539.db2.gz HKLFFMXMBRRWHA-UHFFFAOYSA-N 1 0 522.653 4.268 1 0 KIAFRO COc1cc(C(=O)c2ccc(-c3csc(NC(=O)[C@@H]([NH3+])Cc4ccccc4)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064526478 562706630 /nfs/dbraw/zinc/70/66/30/562706630.db2.gz JINXSFFPYLSRPB-QFIPXVFZSA-N 1 0 584.658 4.156 1 0 KIAFRO COc1cc(C(=O)c2ccc(-c3csc(NC(=O)[C@H]([NH3+])Cc4ccc(F)cc4)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064526483 562706622 /nfs/dbraw/zinc/70/66/22/562706622.db2.gz DMZMHLWIPFISAX-JOCHJYFZSA-N 1 0 602.648 4.295 1 0 KIAFRO Cc1ccc2c(cccc2N2CC[NH+](CCc3cccc4c3OCc3c(C(=O)N5CCCC5)ncn3-4)CC2)n1 ZINC000064527783 562707190 /nfs/dbraw/zinc/70/71/90/562707190.db2.gz DWJGZXZILMOEGQ-UHFFFAOYSA-N 1 0 522.653 4.222 1 0 KIAFRO Cc1ccc2c(cccc2N2CC[NH+](CCc3cccc4c3OCc3c(C(=O)NCC5CC5)ncn3-4)CC2)n1 ZINC000064527861 562707166 /nfs/dbraw/zinc/70/71/66/562707166.db2.gz RKTWFMDUKBINRA-UHFFFAOYSA-N 1 0 522.653 4.126 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cn(C34CC5CC(CC(C5)C3)C4)nn2)CCCCC1 ZINC000064528154 562707285 /nfs/dbraw/zinc/70/72/85/562707285.db2.gz PLFRHQJOEZNBAR-OUXIBTGWSA-N 1 0 541.687 4.339 1 0 KIAFRO COc1ccc(NS(=O)(=O)c2ccc(-c3ncc(-c4ccc(N(C)C)cc4)o3)cc2)cc1N1CC[NH2+]CC1 ZINC000064528163 562707252 /nfs/dbraw/zinc/70/72/52/562707252.db2.gz LECBWQAIQHJLQW-UHFFFAOYSA-N 1 0 533.654 4.294 1 0 KIAFRO C[N@H+](CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 ZINC000064528407 562707337 /nfs/dbraw/zinc/70/73/37/562707337.db2.gz XFNGGGRKROIDIL-RPWUZVMVSA-N 1 0 606.633 4.364 1 0 KIAFRO COc1cc(C(=O)c2ccc(-c3csc(NC(=O)[C@H]([NH3+])c4ccccc4)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064528428 562707362 /nfs/dbraw/zinc/70/73/62/562707362.db2.gz HYDNROOORPPAHG-RUZDIDTESA-N 1 0 570.631 4.286 1 0 KIAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)NC(C)(C)c5ccccc5)sc43)cc2)CC1 ZINC000064540155 562707683 /nfs/dbraw/zinc/70/76/83/562707683.db2.gz QIGJOQOWNHWWPX-UHFFFAOYSA-N 1 0 502.644 4.294 1 0 KIAFRO CC(=O)Nc1cccc(OC[C@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1 ZINC000064540460 562707727 /nfs/dbraw/zinc/70/77/27/562707727.db2.gz FYHRQQABWWQSSJ-HSZRJFAPSA-N 1 0 517.655 4.315 1 0 KIAFRO CC(=O)Nc1cccc(OC[C@@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1 ZINC000064540462 562707706 /nfs/dbraw/zinc/70/77/06/562707706.db2.gz FYHRQQABWWQSSJ-QHCPKHFHSA-N 1 0 517.655 4.315 1 0 KIAFRO OCC[N@H+](C[C@H](O)COc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000064540465 562707704 /nfs/dbraw/zinc/70/77/04/562707704.db2.gz UWJOHHZPBVBGHG-QHCPKHFHSA-N 1 0 504.656 4.061 1 0 KIAFRO OCC[N@H+](C[C@@H](O)COc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000064540466 562707782 /nfs/dbraw/zinc/70/77/82/562707782.db2.gz UWJOHHZPBVBGHG-HSZRJFAPSA-N 1 0 504.656 4.061 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cc(NS(C)(=O)=O)cc(C(C)(C)C)c2)CCCCC1 ZINC000064540797 562707772 /nfs/dbraw/zinc/70/77/72/562707772.db2.gz FNQGRLXOQONVJG-RRPNLBNLSA-N 1 0 565.727 4.491 1 0 KIAFRO [NH3+]CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 ZINC000064549358 562708053 /nfs/dbraw/zinc/70/80/53/562708053.db2.gz AAGMODDBTQZDKK-NSOVKSMOSA-N 1 0 551.647 4.383 1 0 KIAFRO CCN(Cc1ccc(O)cc1Cl)C(=O)Cc1cccc(CC(C)(C)[NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 ZINC000064564490 562708580 /nfs/dbraw/zinc/70/85/80/562708580.db2.gz CLUFTXJUPWPJGK-NDEPHWFRSA-N 1 0 604.169 4.358 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3ccccc3)C3CCN(CC(F)F)CC3)C[C@@H]2C1 ZINC000064746241 562709088 /nfs/dbraw/zinc/70/90/88/562709088.db2.gz IDSHXLDGGWIGBW-NXCFDTQHSA-N 1 0 511.661 4.248 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3ccccc3)C3CCN(CC(F)F)CC3)C[C@@H]2C1 ZINC000064746243 562709136 /nfs/dbraw/zinc/70/91/36/562709136.db2.gz IDSHXLDGGWIGBW-UODIDJSMSA-N 1 0 511.661 4.248 1 0 KIAFRO Cn1cc(-c2ccc(C[C@H](NC(=O)C(C)(C)[NH3+])C(=O)N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)ccc1=O ZINC000064746281 562709099 /nfs/dbraw/zinc/70/90/99/562709099.db2.gz VHXSUBQZTPVJFL-DQEYMECFSA-N 1 0 595.531 4.364 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H](c3ccccc3)C3CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 ZINC000064746541 562709131 /nfs/dbraw/zinc/70/91/31/562709131.db2.gz YPOQZYAEUURBAA-IARZGTGTSA-N 1 0 517.718 4.166 1 0 KIAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](c3ccccc3)C3CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 ZINC000064746543 562709120 /nfs/dbraw/zinc/70/91/20/562709120.db2.gz YPOQZYAEUURBAA-OZNIXHKMSA-N 1 0 517.718 4.166 1 0 KIAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCCCc1ccccc1)CC[C@@H](NCC(=O)OC(C)(C)C)[C@@H]3O5 ZINC000066065934 562709217 /nfs/dbraw/zinc/70/92/17/562709217.db2.gz OGJKCDKDZJMBOT-XMCDHTSPSA-N 1 0 534.697 4.133 1 0 KIAFRO COc1cc2c(cc1OC)C[N@H+](CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CCC2 ZINC000066066177 562709306 /nfs/dbraw/zinc/70/93/06/562709306.db2.gz NJCIKEWNYXOLNQ-UHFFFAOYSA-N 1 0 521.452 4.442 1 0 KIAFRO CCO[C@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 ZINC000066074403 562709765 /nfs/dbraw/zinc/70/97/65/562709765.db2.gz PEFVTWREQBVUOK-BGGLGKGRSA-N 1 0 511.629 4.333 1 0 KIAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCCCc1ccccc1)CC[C@H](NCC(=O)OC(C)(C)C)[C@@H]3O5 ZINC000066074563 562709837 /nfs/dbraw/zinc/70/98/37/562709837.db2.gz OGJKCDKDZJMBOT-MINMQMFNSA-N 1 0 534.697 4.133 1 0 KIAFRO CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000066076269 562710157 /nfs/dbraw/zinc/71/01/57/562710157.db2.gz NEGVUJAUKHMWJJ-MUAVYFROSA-N 1 0 561.529 4.289 1 0 KIAFRO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000066076284 562710123 /nfs/dbraw/zinc/71/01/23/562710123.db2.gz FOTORMTYAPFORB-YWJWNQRBSA-N 1 0 551.643 4.315 1 0 KIAFRO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000066076287 562710136 /nfs/dbraw/zinc/71/01/36/562710136.db2.gz FOTORMTYAPFORB-NGSBZUICSA-N 1 0 551.643 4.315 1 0 KIAFRO CN(C)C(=O)CCN1CC[NH+](C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066076927 562710211 /nfs/dbraw/zinc/71/02/11/562710211.db2.gz UBLMHOGWPZTKCS-RBISFHTESA-N 1 0 549.518 4.145 1 0 KIAFRO COc1cc2c(cc1OC)CC[NH+](CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2 ZINC000066078417 562710416 /nfs/dbraw/zinc/71/04/16/562710416.db2.gz WDUFIDJKHNERGY-UHFFFAOYSA-N 1 0 521.452 4.094 1 0 KIAFRO C[N@@H+]1CCC[C@@H]1c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000066078617 562710441 /nfs/dbraw/zinc/71/04/41/562710441.db2.gz BWMOSLZAUDDHEQ-XZOQPEGZSA-N 1 0 502.011 4.483 1 0 KIAFRO C[N@@H+]1CCC[C@H]1c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000066078618 562710460 /nfs/dbraw/zinc/71/04/60/562710460.db2.gz BWMOSLZAUDDHEQ-GOTSBHOMSA-N 1 0 502.011 4.483 1 0 KIAFRO CN(C)CC[NH2+]CC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1 ZINC000066078913 562710512 /nfs/dbraw/zinc/71/05/12/562710512.db2.gz FIIFHKDXMTXXNS-UHFFFAOYSA-N 1 0 548.591 4.010 1 0 KIAFRO C[C@H]1CN(c2ncc(C(=O)N3CCC3)cc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000066079089 562710591 /nfs/dbraw/zinc/71/05/91/562710591.db2.gz UZQBZHABMBQUAM-IBGZPJMESA-N 1 0 502.490 4.409 1 0 KIAFRO CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000066080006 562710652 /nfs/dbraw/zinc/71/06/52/562710652.db2.gz ZMNUTVBTLNVDLP-MUAVYFROSA-N 1 0 561.529 4.289 1 0 KIAFRO CNC(=O)c1cnc(N2CCN(C3CC[NH+]([C@@H]4CCc5cc(Cl)ccc54)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000066097627 562710798 /nfs/dbraw/zinc/71/07/98/562710798.db2.gz OGWJKZBNEAPGLN-BXKMTCNYSA-N 1 0 502.490 4.410 1 0 KIAFRO O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1cccc(CC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1 ZINC000066097989 562710856 /nfs/dbraw/zinc/71/08/56/562710856.db2.gz SLSJSGIMTCBNJK-ZOIWUEQXSA-N 1 0 530.669 4.437 1 0 KIAFRO O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1cccc(CC[NH2+]C[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1 ZINC000066097992 562710866 /nfs/dbraw/zinc/71/08/66/562710866.db2.gz SLSJSGIMTCBNJK-MHVBIBAZSA-N 1 0 530.669 4.437 1 0 KIAFRO COc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C ZINC000066098544 562710940 /nfs/dbraw/zinc/71/09/40/562710940.db2.gz PVPMWNDEOMUSJK-UHFFFAOYSA-N 1 0 541.656 4.287 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(CC[NH+](C)C)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000066099642 562711127 /nfs/dbraw/zinc/71/11/27/562711127.db2.gz HSTKUMFCJIITSE-ALMBTRMVSA-N 1 0 546.620 4.330 1 0 KIAFRO CCCCc1ccc(C(=O)NC2(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC3CC[NH+](CC4CCOCC4)CC3)CCCC2)nc1 ZINC000066100604 562711257 /nfs/dbraw/zinc/71/12/57/562711257.db2.gz NUEAGESSSAENGD-XIFFEERXSA-N 1 0 631.862 4.449 1 0 KIAFRO C[NH+](C)CCSc1nc([C@H]2COc3ccc(C(=O)NC4CC4)cc3C2)nc2ccc(-c3cn[nH]c3)cc21 ZINC000066100637 562711259 /nfs/dbraw/zinc/71/12/59/562711259.db2.gz YODMOGHHXNYZIW-HXUWFJFHSA-N 1 0 514.655 4.285 1 0 KIAFRO C[NH+](C)CCSc1nc([C@@H]2COc3ccc(C(=O)NC4CC4)cc3C2)nc2ccc(-c3cn[nH]c3)cc21 ZINC000066100639 562711266 /nfs/dbraw/zinc/71/12/66/562711266.db2.gz YODMOGHHXNYZIW-FQEVSTJZSA-N 1 0 514.655 4.285 1 0 KIAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN([C@@H]3CCS(=O)(=O)C3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 ZINC000066100755 562711286 /nfs/dbraw/zinc/71/12/86/562711286.db2.gz DLIFUIXFNAQSIU-HSZRJFAPSA-N 1 0 563.767 4.086 1 0 KIAFRO CCCC[NH2+]Cc1ccc(-c2nc(CN([C@H]3CCS(=O)(=O)C3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1 ZINC000066100757 562711277 /nfs/dbraw/zinc/71/12/77/562711277.db2.gz DLIFUIXFNAQSIU-QHCPKHFHSA-N 1 0 563.767 4.086 1 0 KIAFRO CO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CC[N@@H+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000066101366 562711336 /nfs/dbraw/zinc/71/13/36/562711336.db2.gz NLPKHHZDESNXNS-SQOVJYTMSA-N 1 0 545.650 4.425 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(CC[NH+]5CCOCC5)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000066101540 562711359 /nfs/dbraw/zinc/71/13/59/562711359.db2.gz YLLIHAUTCFGQEM-QIXIFPRPSA-N 1 0 588.657 4.101 1 0 KIAFRO C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@H]4[C@]5(C)CO[C@]4(C=C[C@@H]5NC(=O)c4ccccc4)CC3=CC[C@]12C)[NH+](C)C ZINC000066111798 562711853 /nfs/dbraw/zinc/71/18/53/562711853.db2.gz FBMFMDSVTBIJPB-CKTRUMDJSA-N 1 0 534.741 4.191 1 0 KIAFRO Cc1ccc(S(=O)(=O)N2CCc3ccc(C(=O)NCC[N@H+](Cc4ccccc4)C(C)C)cc3C2)cc1 ZINC000066123159 562712462 /nfs/dbraw/zinc/71/24/62/562712462.db2.gz RVHXVZKUNBAYDT-UHFFFAOYSA-N 1 0 505.684 4.382 1 0 KIAFRO CO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CC[N@@H+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000066128572 562712766 /nfs/dbraw/zinc/71/27/66/562712766.db2.gz NLPKHHZDESNXNS-GJECAEJISA-N 1 0 545.650 4.425 1 0 KIAFRO COc1ccc(C[N@H+](CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)C(C)C)cc1 ZINC000066129109 562712881 /nfs/dbraw/zinc/71/28/81/562712881.db2.gz SYHSIWZZBAKLRD-UHFFFAOYSA-N 1 0 509.672 4.123 1 0 KIAFRO CC[N@H+](CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccccc1 ZINC000066129388 562712949 /nfs/dbraw/zinc/71/29/49/562712949.db2.gz ILQYMJFEPKVMHE-UHFFFAOYSA-N 1 0 530.488 4.180 1 0 KIAFRO CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@H+](Cc3ccc(OC)cc3)C(C)C)cc2)cc1 ZINC000066136251 562713056 /nfs/dbraw/zinc/71/30/56/562713056.db2.gz CNLWMMOBWSGDKY-UHFFFAOYSA-N 1 0 523.699 4.377 1 0 KIAFRO COc1ccc(C[N@H+](CCNC(=O)c2cccc(CNS(=O)(=O)c3ccc(C)cc3)c2)C(C)C)cc1 ZINC000066139317 562713420 /nfs/dbraw/zinc/71/34/20/562713420.db2.gz NZANAUYJLTXYOD-UHFFFAOYSA-N 1 0 509.672 4.123 1 0 KIAFRO CC[NH+]1CCN(CC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3sc4ccccc4c32)CC1 ZINC000066166625 562714111 /nfs/dbraw/zinc/71/41/11/562714111.db2.gz CWVZXZHHFYTOPN-UHFFFAOYSA-N 1 0 582.730 4.142 1 0 KIAFRO Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@H+](Cc4ccccc4)C(C)C)ccc3C2)cc1 ZINC000066167112 562714247 /nfs/dbraw/zinc/71/42/47/562714247.db2.gz UOSIKGNCJCOVJD-UHFFFAOYSA-N 1 0 505.684 4.382 1 0 KIAFRO COc1ccc(-c2cnc3nc(N)nc(N4CC[NH+](Cc5ccc(C(C)(C)C)cc5)CC4)c3n2)cc1OC ZINC000066251089 562714401 /nfs/dbraw/zinc/71/44/01/562714401.db2.gz KQRVHJWGJAPFNF-UHFFFAOYSA-N 1 0 513.646 4.306 1 0 KIAFRO COCCOc1ccc(Nc2nc(Nc3cc4c(cc3OC)CC[N@H+](CC(=O)N(C)C)CC4)ncc2Cl)c(OC)c1 ZINC000066251856 562714562 /nfs/dbraw/zinc/71/45/62/562714562.db2.gz ZGBMHLAMQUGCST-UHFFFAOYSA-N 1 0 585.105 4.148 1 0 KIAFRO C[N@H+](C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000066251971 562714622 /nfs/dbraw/zinc/71/46/22/562714622.db2.gz OCVDYKIDLGUZLY-XMMPIXPASA-N 1 0 510.416 4.347 1 0 KIAFRO C[N@H+](C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000066251972 562714631 /nfs/dbraw/zinc/71/46/31/562714631.db2.gz OCVDYKIDLGUZLY-DEOSSOPVSA-N 1 0 510.416 4.347 1 0 KIAFRO C[N@H+](C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000066251973 562714640 /nfs/dbraw/zinc/71/46/40/562714640.db2.gz ZSALPMNGTICXBQ-XMMPIXPASA-N 1 0 510.416 4.347 1 0 KIAFRO C[N@H+](C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000066251974 562714618 /nfs/dbraw/zinc/71/46/18/562714618.db2.gz ZSALPMNGTICXBQ-DEOSSOPVSA-N 1 0 510.416 4.347 1 0 KIAFRO COc1ccc(Nc2nc(Nc3cc4c(cc3OC)CC[N@H+](CC(=O)N(C)C)CC4)ncc2Cl)c(OC)c1 ZINC000066252052 562714646 /nfs/dbraw/zinc/71/46/46/562714646.db2.gz YMVVZENKOZBFDW-UHFFFAOYSA-N 1 0 541.052 4.132 1 0 KIAFRO COc1ccccc1Nc1nc(Nc2cc3c(cc2OC)CC[N@H+](CC(=O)N(C)C)CC3)ncc1Cl ZINC000066258460 562715003 /nfs/dbraw/zinc/71/50/03/562715003.db2.gz JVCFOBYUGHIPJO-UHFFFAOYSA-N 1 0 511.026 4.123 1 0 KIAFRO [NH3+]CCCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O ZINC000066258750 562715038 /nfs/dbraw/zinc/71/50/38/562715038.db2.gz ICMZIVZAKQAEBW-UHFFFAOYSA-N 1 0 559.755 4.261 1 0 KIAFRO O=C(CN1CC[NH2+]CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c32)c2sc3ccccc3c21 ZINC000066259127 562715213 /nfs/dbraw/zinc/71/52/13/562715213.db2.gz HAYFKSJAWVCUBQ-UHFFFAOYSA-N 1 0 553.688 4.243 1 0 KIAFRO O=C(CC[NH2+]CCCN1CCOCC1)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2sc3ccccc3c21 ZINC000066259934 562715351 /nfs/dbraw/zinc/71/53/51/562715351.db2.gz SYLSXEZNLWCQFF-UHFFFAOYSA-N 1 0 626.783 4.207 1 0 KIAFRO C[NH+]1CCN(c2cn(S(=O)(=O)c3ccccc3Br)c3ccc(Br)cc23)CC1 ZINC000066260120 562715392 /nfs/dbraw/zinc/71/53/92/562715392.db2.gz ALROIZLRKPMQIR-UHFFFAOYSA-N 1 0 513.255 4.155 1 0 KIAFRO O=C(CC[NH2+]C[C@@H]1CCCO1)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2oc3ccccc3c21 ZINC000066263779 562715601 /nfs/dbraw/zinc/71/56/01/562715601.db2.gz WFUFHXOFNGOWCZ-NRFANRHFSA-N 1 0 567.646 4.195 1 0 KIAFRO O=C(CC[NH2+]C[C@H]1CCCO1)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2oc3ccccc3c21 ZINC000066263783 562715570 /nfs/dbraw/zinc/71/55/70/562715570.db2.gz WFUFHXOFNGOWCZ-OAQYLSRUSA-N 1 0 567.646 4.195 1 0 KIAFRO C[N@@H+]1CCC[C@@H]1CCNCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000067973937 562715649 /nfs/dbraw/zinc/71/56/49/562715649.db2.gz YZWIGOVHAHQNDZ-XMMPIXPASA-N 1 0 645.459 4.302 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3ccc(C[NH+]4CCCC4)cc3OC)(N3CCC[C@H]3C(=O)N(C)C)C2=O)c(OC)c1 ZINC000068057324 562715711 /nfs/dbraw/zinc/71/57/11/562715711.db2.gz RIEZNJOLFDSQNS-YTWZBVJHSA-N 1 0 697.254 4.493 1 0 KIAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2cc(=O)n(C)c3ccccc23)C2CC2)cc(OCCOC)c1 ZINC000068151745 562715857 /nfs/dbraw/zinc/71/58/57/562715857.db2.gz GQLRKTKPJZISGL-OFSOJUDTSA-N 1 0 561.723 4.027 1 0 KIAFRO Cc1cc(C(=O)N2CCCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)n1 ZINC000068247088 562716197 /nfs/dbraw/zinc/71/61/97/562716197.db2.gz MVFQZFGSHLSESC-RUZDIDTESA-N 1 0 538.092 4.182 1 0 KIAFRO Cc1cc(C[NH+]2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N(C)C)cc(C4CC4)n3)CC2)ccc1Cl ZINC000068247091 562716201 /nfs/dbraw/zinc/71/62/01/562716201.db2.gz PSQWVAHRODEKJJ-RUZDIDTESA-N 1 0 538.092 4.217 1 0 KIAFRO CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CC[NH+](C4CCC5(CC4)OCCO5)CC3)on2)cc1 ZINC000068247154 562716161 /nfs/dbraw/zinc/71/61/61/562716161.db2.gz UYHIOSOJXDPZDX-UHFFFAOYSA-N 1 0 578.666 4.491 1 0 KIAFRO CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CC[NH+](C4CCC5(CC4)OCCO5)CC3)no2)cc1 ZINC000068247155 562716193 /nfs/dbraw/zinc/71/61/93/562716193.db2.gz DPZWKZQIGWCTDT-UHFFFAOYSA-N 1 0 578.666 4.491 1 0 KIAFRO COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(N5CC[NH+](C)CC5)nc4)n[nH]c3c1)C(=O)N2 ZINC000068247345 562716179 /nfs/dbraw/zinc/71/61/79/562716179.db2.gz XMHCFCMVNKTYOH-ZBVNWKHZSA-N 1 0 506.610 4.266 1 0 KIAFRO COC(=O)N1CCN(c2[nH+]c3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)CC1 ZINC000068248879 562716245 /nfs/dbraw/zinc/71/62/45/562716245.db2.gz LFLLVUCSJDNBFY-UHFFFAOYSA-N 1 0 594.663 4.141 1 0 KIAFRO CC[NH+]1CCN(c2ccc(Nc3ncc4scc(-c5cccc(NS(C)(=O)=O)c5)c4n3)cn2)CC1 ZINC000068267333 562716255 /nfs/dbraw/zinc/71/62/55/562716255.db2.gz MMOHYXSQMFMBIJ-UHFFFAOYSA-N 1 0 509.661 4.010 1 0 KIAFRO CC[N@H+](CCNC(=O)c1ccc2cc(I)ccc2c1)CCOc1cccnc1F ZINC000071280900 562716587 /nfs/dbraw/zinc/71/65/87/562716587.db2.gz AZRPSCXBSGLHOK-UHFFFAOYSA-N 1 0 507.347 4.109 1 0 KIAFRO COc1ccc2cc3[n+](cc2c1OCCCn1cc(N2CCCCC2)nn1)CCc1cc2c(cc1-3)OCO2 ZINC000071295175 562717132 /nfs/dbraw/zinc/71/71/32/562717132.db2.gz WUUSAYCRORKDOF-UHFFFAOYSA-N 1 0 514.606 4.139 1 0 KIAFRO C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)[NH2+]1 ZINC000071296991 562717716 /nfs/dbraw/zinc/71/77/16/562717716.db2.gz IVOZSKOYXPHCOQ-AZSVPQILSA-N 1 0 571.782 4.232 1 0 KIAFRO Cn1cc(C(N)=O)c2c1-c1nc(Nc3cc(C4CC[NH+](C)CC4)ccc3OC(F)(F)F)ncc1CC2 ZINC000071297068 562717720 /nfs/dbraw/zinc/71/77/20/562717720.db2.gz UPGSUYGNMGTTGT-UHFFFAOYSA-N 1 0 500.525 4.131 1 0 KIAFRO C[C@@H](C[NH+](C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc3nc(NCCc4ccc(Cl)cc4)nc(N4CCCC4)c3c2)CC1 ZINC000071315988 562717777 /nfs/dbraw/zinc/71/77/77/562717777.db2.gz KZWFJJHHDKUIBN-QFIPXVFZSA-N 1 0 628.243 4.005 1 0 KIAFRO C[C@H](C[NH+](C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc3nc(NCCc4ccc(Cl)cc4)nc(N4CCCC4)c3c2)CC1 ZINC000071315989 562717815 /nfs/dbraw/zinc/71/78/15/562717815.db2.gz KZWFJJHHDKUIBN-JOCHJYFZSA-N 1 0 628.243 4.005 1 0 KIAFRO C[NH+]1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)c2ccccc2)CC1 ZINC000071316140 562717843 /nfs/dbraw/zinc/71/78/43/562717843.db2.gz PKYXBBFBKAWMEC-LJAQVGFWSA-N 1 0 533.116 4.347 1 0 KIAFRO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(OC)c2)cc1 ZINC000071316412 562717943 /nfs/dbraw/zinc/71/79/43/562717943.db2.gz UIEBMEVJWGYUNB-RPLLCQBOSA-N 1 0 504.627 4.409 1 0 KIAFRO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N(CCCN2CC[NH+](C)CC2)Cc2ccccc2)c(C)c1C ZINC000071316504 562717920 /nfs/dbraw/zinc/71/79/20/562717920.db2.gz HCNMECLUINAZJI-HKBQPEDESA-N 1 0 606.833 4.176 1 0 KIAFRO COc1cc(C)c(S(=O)(=O)N[C@H](C(=O)N(CCCN2CC[NH+](C)CC2)Cc2ccccc2)c2ccccc2)c(C)c1C ZINC000071316774 562718019 /nfs/dbraw/zinc/71/80/19/562718019.db2.gz XEPZFPHEEDVGBI-HKBQPEDESA-N 1 0 592.806 4.306 1 0 KIAFRO C[NH+]1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NS(=O)(=O)Cc2ccccc2)CC1 ZINC000071316843 562718026 /nfs/dbraw/zinc/71/80/26/562718026.db2.gz VOFSLZNLDJWDDV-PMERELPUSA-N 1 0 583.198 4.037 1 0 KIAFRO C[NH+](C)CCN1CCN([C@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000071317070 562718109 /nfs/dbraw/zinc/71/81/09/562718109.db2.gz GLIIQALGMKHKIG-MHZLTWQESA-N 1 0 505.062 4.430 1 0 KIAFRO C[NH+](C)CCN1CCN([C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000071317071 562718131 /nfs/dbraw/zinc/71/81/31/562718131.db2.gz GLIIQALGMKHKIG-HHHXNRCGSA-N 1 0 505.062 4.430 1 0 KIAFRO C[NH+]1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1 ZINC000071317166 562718155 /nfs/dbraw/zinc/71/81/55/562718155.db2.gz ONIJYHFPJCZMOI-PMERELPUSA-N 1 0 547.143 4.276 1 0 KIAFRO C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)[NH2+]1 ZINC000071317772 562718326 /nfs/dbraw/zinc/71/83/26/562718326.db2.gz IVOZSKOYXPHCOQ-VMODYCNZSA-N 1 0 571.782 4.232 1 0 KIAFRO CCCN(CCCN1CC[NH+](C)CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C ZINC000071317877 562718373 /nfs/dbraw/zinc/71/83/73/562718373.db2.gz NOQTVEQQFDZAGW-MHZLTWQESA-N 1 0 593.234 4.040 1 0 KIAFRO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N(CCCN2CC[NH+](C)CC2)C(C)C)c(C)c1C ZINC000071318284 562718456 /nfs/dbraw/zinc/71/84/56/562718456.db2.gz KEVVIQHZTRFNHL-MHZLTWQESA-N 1 0 593.234 4.038 1 0 KIAFRO C[N@H+](CCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@H]2c2ccc3c(c2)OCO3)C1=O)Cc1ccccc1 ZINC000071318339 562718480 /nfs/dbraw/zinc/71/84/80/562718480.db2.gz QWGLVGFXBKPDRG-MXBOTTGLSA-N 1 0 536.632 4.104 1 0 KIAFRO C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)[NH2+]1 ZINC000071318986 562718694 /nfs/dbraw/zinc/71/86/94/562718694.db2.gz IVOZSKOYXPHCOQ-QSEAXJEQSA-N 1 0 571.782 4.232 1 0 in-vivo KIAFRO COc1ccc(C(=O)NC[C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000071329616 562718953 /nfs/dbraw/zinc/71/89/53/562718953.db2.gz CFAHUUHOKKPFNF-RPLLCQBOSA-N 1 0 504.627 4.409 1 0 KIAFRO CCOC(=O)[C@@H]1CCCN1c1cn(CCCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)nn1 ZINC000071329878 562719014 /nfs/dbraw/zinc/71/90/14/562719014.db2.gz GOLGSLXEGUSVBY-VWLOTQADSA-N 1 0 586.669 4.070 1 0 KIAFRO CCOC(=O)[C@H]1CCCN1c1cn(CCCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)nn1 ZINC000071329879 562719013 /nfs/dbraw/zinc/71/90/13/562719013.db2.gz GOLGSLXEGUSVBY-RUZDIDTESA-N 1 0 586.669 4.070 1 0 KIAFRO COc1cc(-c2nc3ccc(-c4cccc(C[NH+](C)C)c4)cc3c(=O)n2CC(=O)NC(C)C)ccc1F ZINC000071332557 562719374 /nfs/dbraw/zinc/71/93/74/562719374.db2.gz WRZIZHSMSVOESG-UHFFFAOYSA-N 1 0 502.590 4.464 1 0 KIAFRO O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000071332736 562719411 /nfs/dbraw/zinc/71/94/11/562719411.db2.gz GWSBGVBBBIHGOZ-JWQCQUIFSA-N 1 0 593.577 4.052 1 0 KIAFRO O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000071332740 562719433 /nfs/dbraw/zinc/71/94/33/562719433.db2.gz GWSBGVBBBIHGOZ-RPBOFIJWSA-N 1 0 593.577 4.052 1 0 KIAFRO O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000071334852 562719660 /nfs/dbraw/zinc/71/96/60/562719660.db2.gz XXAFHXCSFOSWED-CLJLJLNGSA-N 1 0 593.577 4.052 1 0 KIAFRO O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000071334860 562719619 /nfs/dbraw/zinc/71/96/19/562719619.db2.gz XXAFHXCSFOSWED-FTJBHMTQSA-N 1 0 593.577 4.052 1 0 KIAFRO CC(C)(C[NH+]1CCCC1)n1cnc(NC(=O)[C@@H](NC(=O)Cc2cc(F)cc(F)c2)C2CCCCC2)c1 ZINC000071341987 562720116 /nfs/dbraw/zinc/72/01/16/562720116.db2.gz NNOFJBXUZPTMFY-VWLOTQADSA-N 1 0 501.622 4.239 1 0 KIAFRO O=C1c2cccc3c(Br)ccc(c32)C(=O)N1CCC[n+]1cn(Cc2ccccc2Cl)cn1 ZINC000072104570 562720521 /nfs/dbraw/zinc/72/05/21/562720521.db2.gz XWTITWKUNJHZNY-UHFFFAOYSA-N 1 0 510.799 4.474 1 0 KIAFRO CCCc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072104700 562720583 /nfs/dbraw/zinc/72/05/83/562720583.db2.gz VSPMYTOAAFRDKU-UHFFFAOYSA-N 1 0 531.701 4.463 1 0 KIAFRO O=C(CNC(=O)Nc1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCC1 ZINC000072104819 562720656 /nfs/dbraw/zinc/72/06/56/562720656.db2.gz JVVREJHHLJKHIA-HKBQPEDESA-N 1 0 598.785 4.288 1 0 KIAFRO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000072104857 562720672 /nfs/dbraw/zinc/72/06/72/562720672.db2.gz UDZQCEVTHMQRHA-MUUNZHRXSA-N 1 0 523.681 4.377 1 0 KIAFRO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000072104858 562720649 /nfs/dbraw/zinc/72/06/49/562720649.db2.gz UDZQCEVTHMQRHA-NDEPHWFRSA-N 1 0 523.681 4.377 1 0 KIAFRO COc1ccc(-n2c(C)c(C(=O)NC[C@@H](O)C[NH+]3CCN(c4cccc(C)c4C)CC3)nc2-c2ccccc2)cc1 ZINC000072105167 562720711 /nfs/dbraw/zinc/72/07/11/562720711.db2.gz LRQBELSVWZMOKR-MUUNZHRXSA-N 1 0 553.707 4.386 1 0 KIAFRO COc1ccc(-n2c(C)c(C(=O)NC[C@H](O)C[NH+]3CCN(c4cccc(C)c4C)CC3)nc2-c2ccccc2)cc1 ZINC000072105168 562720704 /nfs/dbraw/zinc/72/07/04/562720704.db2.gz LRQBELSVWZMOKR-NDEPHWFRSA-N 1 0 553.707 4.386 1 0 KIAFRO O=C1c2cccc3c(Br)ccc(c32)C(=O)N1CCC[n+]1cn(Cc2ccc(Cl)cc2)cn1 ZINC000072105380 562720812 /nfs/dbraw/zinc/72/08/12/562720812.db2.gz YVOXYQIDCGOCJY-UHFFFAOYSA-N 1 0 510.799 4.474 1 0 KIAFRO CCNC(=O)Nc1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1 ZINC000072105434 562720795 /nfs/dbraw/zinc/72/07/95/562720795.db2.gz QTVNWPXBPRYDFT-MHZLTWQESA-N 1 0 501.668 4.249 1 0 KIAFRO O=C1c2cccc3c(Br)ccc(c32)C(=O)N1CCCCn1c[n+](Cc2ccc(F)cc2F)cn1 ZINC000072105439 562720791 /nfs/dbraw/zinc/72/07/91/562720791.db2.gz FMVICMXZUPAOMT-UHFFFAOYSA-N 1 0 526.361 4.489 1 0 KIAFRO CCCc1nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000072105913 562720877 /nfs/dbraw/zinc/72/08/77/562720877.db2.gz WFHZJXLGAFRLJL-VWLOTQADSA-N 1 0 524.109 4.316 1 0 KIAFRO CCCc1nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000072105914 562720867 /nfs/dbraw/zinc/72/08/67/562720867.db2.gz WFHZJXLGAFRLJL-RUZDIDTESA-N 1 0 524.109 4.316 1 0 KIAFRO Cc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072106091 562720925 /nfs/dbraw/zinc/72/09/25/562720925.db2.gz XCQPCESBLWIBEC-UHFFFAOYSA-N 1 0 524.065 4.164 1 0 KIAFRO O=C1c2cccc3c(Br)ccc(c32)C(=O)N1CCC[n+]1cn(Cc2ccc(F)cc2F)cn1 ZINC000072106629 562721069 /nfs/dbraw/zinc/72/10/69/562721069.db2.gz AHUGKFUQVNJBNL-UHFFFAOYSA-N 1 0 512.334 4.099 1 0 KIAFRO CCNC(=O)Nc1ccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)cc1 ZINC000072106716 562721075 /nfs/dbraw/zinc/72/10/75/562721075.db2.gz CEZJVTMLAXZREH-MHZLTWQESA-N 1 0 501.668 4.249 1 0 KIAFRO COc1cc(OC)cc(-n2c(C)nc(C(=O)NCCC[NH+]3CCN(c4cccc(C)c4C)CC3)c2C)c1 ZINC000072106726 562721088 /nfs/dbraw/zinc/72/10/88/562721088.db2.gz GQSLSFIXXDXGCZ-UHFFFAOYSA-N 1 0 505.663 4.065 1 0 KIAFRO COCC[N@H+](C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(-c1ccc(OC)nc1)c(=O)n2Cc1c(F)cccc1F ZINC000072108649 562721450 /nfs/dbraw/zinc/72/14/50/562721450.db2.gz IDQKFYZNDFRPKP-UHFFFAOYSA-N 1 0 666.707 4.372 1 0 KIAFRO CCOCCn1c(=O)c2c(C[N@H+](C)CCOC)c(-c3ccc(NC(=O)NOC)cc3)sc2n(Cc2c(F)cccc2F)c1=O ZINC000072109384 562721600 /nfs/dbraw/zinc/72/16/00/562721600.db2.gz GRKANJRMMDQVRY-UHFFFAOYSA-N 1 0 631.702 4.016 1 0 KIAFRO CONC(=O)Nc1ccc(-c2sc3c(c2C[NH+](C)C)c(=O)n(-c2ccc(OC)nc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072110050 562721727 /nfs/dbraw/zinc/72/17/27/562721727.db2.gz DUZGTINKFAHXDT-UHFFFAOYSA-N 1 0 622.654 4.356 1 0 KIAFRO CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 ZINC000072111119 562721861 /nfs/dbraw/zinc/72/18/61/562721861.db2.gz CYSLBIYUGATXOF-LOYHVIPDSA-N 1 0 590.765 4.241 1 0 KIAFRO CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(S(C)(=O)=O)cc3)cc1)CC2 ZINC000072112617 562722137 /nfs/dbraw/zinc/72/21/37/562722137.db2.gz KUQWDXNDCYWMHU-LOYHVIPDSA-N 1 0 611.805 4.285 1 0 KIAFRO CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 ZINC000072112618 562722129 /nfs/dbraw/zinc/72/21/29/562722129.db2.gz VCXYEFOPDLYZSY-LOYHVIPDSA-N 1 0 626.820 4.253 1 0 KIAFRO CNC(=O)c1ccc(Oc2ccc(C[NH+]3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CC(F)(F)F)cc2)cc1 ZINC000072113181 562722266 /nfs/dbraw/zinc/72/22/66/562722266.db2.gz YCTSKSPUGIZIBX-KAYWLYCHSA-N 1 0 616.681 4.004 1 0 KIAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C(=O)OC)cc1 ZINC000072114649 562722768 /nfs/dbraw/zinc/72/27/68/562722768.db2.gz AFUHDBSNWZJPLJ-QHCPKHFHSA-N 1 0 518.639 4.235 1 0 KIAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc(C(=O)OC)cc1 ZINC000072114650 562722769 /nfs/dbraw/zinc/72/27/69/562722769.db2.gz AFUHDBSNWZJPLJ-HSZRJFAPSA-N 1 0 518.639 4.235 1 0 KIAFRO COCCCC[C@@](O)(c1cccc(Cl)c1-c1cccc(SC)c1)[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)CCO1 ZINC000072114879 562722831 /nfs/dbraw/zinc/72/28/31/562722831.db2.gz AHOVLJGLEXZYRX-NUAALLDYSA-N 1 0 563.160 4.059 1 0 KIAFRO COCCCC[C@@](O)(c1ccccc1Oc1ccccc1C)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])[C@H](O)C2)C1 ZINC000072114921 562722828 /nfs/dbraw/zinc/72/28/28/562722828.db2.gz GMQNVTWXESVKFD-KYPIXWGSSA-N 1 0 510.675 4.128 1 0 KIAFRO COCCCC[C@@](O)(c1cccc(F)c1Oc1ccccc1C)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)C1 ZINC000072114999 562722866 /nfs/dbraw/zinc/72/28/66/562722866.db2.gz OSPAIGKWNREXGJ-YWHUKLHMSA-N 1 0 528.665 4.268 1 0 KIAFRO COCCCC[C@@](O)(c1cc(F)ccc1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)C1 ZINC000072115001 562722882 /nfs/dbraw/zinc/72/28/82/562722882.db2.gz MMLIGOAGXFRBBX-SZTMJRGBSA-N 1 0 512.666 4.142 1 0 KIAFRO COCCCC[C@@](O)(c1cccc(Cl)c1-c1cccc(C(C)C)c1)[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)CCO1 ZINC000072115018 562722867 /nfs/dbraw/zinc/72/28/67/562722867.db2.gz ZWQPLIPZPASJRM-PIBIYZEDSA-N 1 0 559.147 4.460 1 0 KIAFRO COCCCC[C@@](O)(c1ccccc1Oc1ccccc1C)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)C1 ZINC000072116357 562723080 /nfs/dbraw/zinc/72/30/80/562723080.db2.gz GMQNVTWXESVKFD-BHRSGGKLSA-N 1 0 510.675 4.128 1 0 KIAFRO COCCCC[C@@](O)(c1cccc(F)c1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)C1 ZINC000072116447 562723125 /nfs/dbraw/zinc/72/31/25/562723125.db2.gz RGEAEAPIVOSUPY-OBVJZYNASA-N 1 0 512.666 4.142 1 0 KIAFRO COCCCC[C@@](O)(c1ccc(F)cc1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)C1 ZINC000072116448 562723119 /nfs/dbraw/zinc/72/31/19/562723119.db2.gz BOMSLDBQVVCUGK-SZTMJRGBSA-N 1 0 512.666 4.142 1 0 KIAFRO COCCCC[C@@](O)(c1ccccc1-c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)C1 ZINC000072116460 562723110 /nfs/dbraw/zinc/72/31/10/562723110.db2.gz RQNRXEBRWCEGDI-PWVCOOSYSA-N 1 0 515.094 4.348 1 0 KIAFRO COCCCC[C@@](O)(c1cccc(F)c1-c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)C1 ZINC000072116616 562723139 /nfs/dbraw/zinc/72/31/39/562723139.db2.gz GFIUDBVGLJWDQC-YJKPGEFOSA-N 1 0 533.084 4.487 1 0 KIAFRO [NH3+][C@@H](CCc1ccc(Cl)cc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072116906 562723316 /nfs/dbraw/zinc/72/33/16/562723316.db2.gz VAEIBIUJLLBGKE-OLUZHXLYSA-N 1 0 639.200 4.355 1 0 KIAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc2nccnc2c1 ZINC000072117069 562723356 /nfs/dbraw/zinc/72/33/56/562723356.db2.gz SHLGZOAUBKIVCD-DEOSSOPVSA-N 1 0 512.639 4.392 1 0 KIAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc2nccnc2c1 ZINC000072117070 562723337 /nfs/dbraw/zinc/72/33/37/562723337.db2.gz SHLGZOAUBKIVCD-XMMPIXPASA-N 1 0 512.639 4.392 1 0 KIAFRO [NH3+][C@@H](Cc1ccc2ccccc2c1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072117141 562723350 /nfs/dbraw/zinc/72/33/50/562723350.db2.gz PJNNBAGUZFSNDD-SXLOSVNLSA-N 1 0 640.788 4.465 1 0 KIAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(C[C@@H]1C[NH2+]CCO1)C(=O)c1ccc(C)cc1 ZINC000072118842 562723633 /nfs/dbraw/zinc/72/36/33/562723633.db2.gz GTIGXWIHGBUANI-ZCYQVOJMSA-N 1 0 516.667 4.397 1 0 KIAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(C[C@@H]1C[NH2+]CCO1)C(=O)c1ccc(C)cc1 ZINC000072118843 562723713 /nfs/dbraw/zinc/72/37/13/562723713.db2.gz GTIGXWIHGBUANI-UKILVPOCSA-N 1 0 516.667 4.397 1 0 KIAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(C[C@H]1C[NH2+]CCO1)C(=O)c1ccc(C)cc1 ZINC000072118844 562723687 /nfs/dbraw/zinc/72/36/87/562723687.db2.gz GTIGXWIHGBUANI-NOZRDPDXSA-N 1 0 516.667 4.397 1 0 KIAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(C[C@H]1C[NH2+]CCO1)C(=O)c1ccc(C)cc1 ZINC000072118845 562723709 /nfs/dbraw/zinc/72/37/09/562723709.db2.gz GTIGXWIHGBUANI-ILBGXUMGSA-N 1 0 516.667 4.397 1 0 KIAFRO CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc2c(c1)OCO2 ZINC000072119840 562723905 /nfs/dbraw/zinc/72/39/05/562723905.db2.gz PVOOZLNTUSMLCB-NRFANRHFSA-N 1 0 504.612 4.177 1 0 KIAFRO CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCC[NH3+])C(=O)c1ccc2c(c1)OCO2 ZINC000072119841 562723908 /nfs/dbraw/zinc/72/39/08/562723908.db2.gz PVOOZLNTUSMLCB-OAQYLSRUSA-N 1 0 504.612 4.177 1 0 KIAFRO [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000072119944 562723917 /nfs/dbraw/zinc/72/39/17/562723917.db2.gz XTKIFHOTDGUDGB-AHWVRZQESA-N 1 0 567.086 4.130 1 0 KIAFRO CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@@H]([NH3+])C(C)C)O4)c(=O)nc3o2)cc1 ZINC000072123772 562724958 /nfs/dbraw/zinc/72/49/58/562724958.db2.gz SVDFTSLPVVRZGQ-SKUAPYOTSA-N 1 0 707.869 4.086 1 0 KIAFRO COc1cc(NC(=O)N(C)c2cc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncn2)c(Cl)c(OC)c1 ZINC000072125206 562725206 /nfs/dbraw/zinc/72/52/06/562725206.db2.gz LHWUQEWJSRQLDB-UHFFFAOYSA-N 1 0 512.014 4.311 1 0 KIAFRO CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)CC1 ZINC000072126772 562725396 /nfs/dbraw/zinc/72/53/96/562725396.db2.gz BUGZBENJTIQSLX-NRMCGMLCSA-N 1 0 676.258 4.199 1 0 KIAFRO Cc1cccc(-c2nn(C(=S)NC3CC[NH+](Cc4ccccc4)CC3)cc2-c2ccc3ncnn3c2)n1 ZINC000072127007 562725554 /nfs/dbraw/zinc/72/55/54/562725554.db2.gz BNMHNCULQLQPPL-UHFFFAOYSA-N 1 0 508.655 4.350 1 0 KIAFRO O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1sc(Cl)cc1Br)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000072131635 562726679 /nfs/dbraw/zinc/72/66/79/562726679.db2.gz DUUIQYTYWBSZOX-FGZHOGPDSA-N 1 0 644.057 4.223 1 0 KIAFRO O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1sc(Cl)cc1Br)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000072131636 562726706 /nfs/dbraw/zinc/72/67/06/562726706.db2.gz DUUIQYTYWBSZOX-YADHBBJMSA-N 1 0 644.057 4.223 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3cc(C[NH+]4CCCC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)C2=O)c(OC)c1 ZINC000072134041 562727146 /nfs/dbraw/zinc/72/71/46/562727146.db2.gz OSJMAQIACACGDU-WHMAPKLYSA-N 1 0 697.254 4.493 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3cc(C[NH+]4CCCC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)C2=O)cc1 ZINC000072134042 562727135 /nfs/dbraw/zinc/72/71/35/562727135.db2.gz XFYAWJKXDPURTA-BFGHFXMOSA-N 1 0 667.228 4.485 1 0 KIAFRO COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3ccc(C[NH+]4CCCC4)cc3OC)(N3CCC[C@H]3C(=O)N(C)C)C2=O)cc1 ZINC000072134089 562727197 /nfs/dbraw/zinc/72/71/97/562727197.db2.gz BJPPSTZIMCILME-NHZFLZHXSA-N 1 0 667.228 4.485 1 0 KIAFRO COc1ccc([C@@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)C[N@@H+]2Cc2cccs2)cc1 ZINC000072134924 562727395 /nfs/dbraw/zinc/72/73/95/562727395.db2.gz SUJIIVQNRQJYEI-KKUQBAQOSA-N 1 0 504.612 4.254 1 0 KIAFRO COc1ccc([C@@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)C[N@@H+]2Cc2cccs2)cc1 ZINC000072134926 562727399 /nfs/dbraw/zinc/72/73/99/562727399.db2.gz SUJIIVQNRQJYEI-JIMJEQGWSA-N 1 0 504.612 4.254 1 0 KIAFRO NC(=[NH2+])NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000072147813 562729908 /nfs/dbraw/zinc/72/99/08/562729908.db2.gz QOKKSRNWYUGOTN-IMKBVMFZSA-N 1 0 716.843 4.120 1 0 KIAFRO NC(=[NH2+])NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Cc1ccccc1 ZINC000072172012 562730569 /nfs/dbraw/zinc/73/05/69/562730569.db2.gz YSOAAENCNHGJBY-IMKBVMFZSA-N 1 0 690.845 4.202 1 0 KIAFRO NC(=[NH2+])NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Cc1ccccc1 ZINC000072172036 562730612 /nfs/dbraw/zinc/73/06/12/562730612.db2.gz YSOAAENCNHGJBY-PUPDPRJKSA-N 1 0 690.845 4.202 1 0 KIAFRO C[NH2+]CCOc1ccc2cc(NC(=O)c3ccc(OC)c(-c4cccc(OC)c4)c3)c(=O)oc2c1OC ZINC000072172144 562730642 /nfs/dbraw/zinc/73/06/42/562730642.db2.gz SLPWCQFAKARDGQ-UHFFFAOYSA-N 1 0 504.539 4.336 1 0 KIAFRO C[NH2+][C@@H]1[C@@H](C)O[C@@H](O[C@H]2C/C=C(\C)C[C@](C)(O)[C@H](C)/C=C/CC[C@H](C)CNC(=O)/C=C/C=C/[C@@H]2C)C[C@@H]1O ZINC000072173271 562730883 /nfs/dbraw/zinc/73/08/83/562730883.db2.gz UMYVKMLMMWCODO-MAHKKUSRSA-N 1 0 532.766 4.420 1 0 KIAFRO COc1cccc(-c2[nH]nc(-c3cccs3)c2CCNS(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000072173567 562731024 /nfs/dbraw/zinc/73/10/24/562731024.db2.gz PSVBEKARULHSMY-HSZRJFAPSA-N 1 0 551.738 4.397 1 0 KIAFRO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cccs2)n[nH]c1-c1ccccc1 ZINC000072173580 562731038 /nfs/dbraw/zinc/73/10/38/562731038.db2.gz BADDKPFFNHTYKM-HSZRJFAPSA-N 1 0 521.712 4.388 1 0 KIAFRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1 ZINC000072173593 562731045 /nfs/dbraw/zinc/73/10/45/562731045.db2.gz BEGIUPJPMZYKLX-IFMALSPDSA-N 1 0 551.742 4.130 1 0 KIAFRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1 ZINC000072173594 562731030 /nfs/dbraw/zinc/73/10/30/562731030.db2.gz BEGIUPJPMZYKLX-RBBKRZOGSA-N 1 0 551.742 4.130 1 0 KIAFRO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cccs2)n[nH]c1-c1cccs1 ZINC000072173599 562731053 /nfs/dbraw/zinc/73/10/53/562731053.db2.gz MVDYZGCQVHAMFD-HXUWFJFHSA-N 1 0 527.741 4.450 1 0 KIAFRO CCN([C@@H]1CC[N@@H+](C(C)(C)c2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1 ZINC000072173628 562731068 /nfs/dbraw/zinc/73/10/68/562731068.db2.gz VDVXMFKOIPDSMU-JOCHJYFZSA-N 1 0 565.769 4.304 1 0 KIAFRO Cn1ccc([C@H]2CC[NH2+]C[C@@H]2C(=O)N(Cc2cn(Cc3ccccc3)c3cccc(F)c23)C2CC2)cc1=O ZINC000072174667 562731159 /nfs/dbraw/zinc/73/11/59/562731159.db2.gz CQPCSTONSYLHIT-FTJBHMTQSA-N 1 0 512.629 4.412 1 0 KIAFRO COCCCn1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2c1cccc2Br ZINC000072174739 562731149 /nfs/dbraw/zinc/73/11/49/562731149.db2.gz FOUWTOBVFXYECJ-PKTZIBPZSA-N 1 0 555.517 4.023 1 0 KIAFRO COCCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1 ZINC000072175013 562731258 /nfs/dbraw/zinc/73/12/58/562731258.db2.gz AMGBGCLXZDYDOH-YADHBBJMSA-N 1 0 506.474 4.155 1 0 KIAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)CNC(=O)N(C)C)C(C)C)C(C)C)ccc1OC ZINC000072176911 562731712 /nfs/dbraw/zinc/73/17/12/562731712.db2.gz ZHDGDUQIESDKRN-LJWNLINESA-N 1 0 608.865 4.079 1 0 KIAFRO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NCC[NH+](C)C)cc3OC)nc1-2 ZINC000072177292 562731770 /nfs/dbraw/zinc/73/17/70/562731770.db2.gz ATKPMPVOTNGCIB-UHFFFAOYSA-N 1 0 596.736 4.396 1 0 KIAFRO CCOC(=O)CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)O[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000072177416 562731806 /nfs/dbraw/zinc/73/18/06/562731806.db2.gz ISXXEQSWBNIUKX-GDLZYMKVSA-N 1 0 538.595 4.485 1 0 KIAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2ccnn2)C(C)C)C(C)C)ccc1OC ZINC000072177443 562731787 /nfs/dbraw/zinc/73/17/87/562731787.db2.gz PVITWYQMLYZTLI-LJWNLINESA-N 1 0 589.822 4.100 1 0 KIAFRO CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2c(c1)N(C)C[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)O2 ZINC000072177508 562731803 /nfs/dbraw/zinc/73/18/03/562731803.db2.gz IQSQCPMGGRPOBO-LJAQVGFWSA-N 1 0 552.578 4.011 1 0 KIAFRO CCOC(=O)CN(Cc1cccc(F)c1)c1ccc2c(c1)O[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000072177622 562731841 /nfs/dbraw/zinc/73/18/41/562731841.db2.gz HZAPYSMRYZAAMC-GDLZYMKVSA-N 1 0 520.605 4.346 1 0 KIAFRO CCOC(=O)CN(Cc1ccc(F)cc1)c1ccc2c(c1)O[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000072177707 562731893 /nfs/dbraw/zinc/73/18/93/562731893.db2.gz PFIMMJZGVMTLHR-GDLZYMKVSA-N 1 0 520.605 4.346 1 0 KIAFRO CCOC(=O)CN(Cc1ccc(F)c(F)c1)c1ccc2c(c1)O[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000072177708 562731862 /nfs/dbraw/zinc/73/18/62/562731862.db2.gz RIUNQSHAGGLFPV-GDLZYMKVSA-N 1 0 538.595 4.485 1 0 KIAFRO Cc1c2n(c3c1C(=O)CC(C)(C)C3)-c1ccc(C(N)=O)c(c1)N[C@@H](C)[C@H](C)CN(C(=O)C1([NH3+])CCCC1)CC2 ZINC000072177729 562731894 /nfs/dbraw/zinc/73/18/94/562731894.db2.gz OQCZXOJFRLBCCF-QUCCMNQESA-N 1 0 533.717 4.132 1 0 KIAFRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 ZINC000072177971 562731919 /nfs/dbraw/zinc/73/19/19/562731919.db2.gz NXSKLHMDUATVRF-NNUTVPELSA-N 1 0 643.744 4.423 1 0 KIAFRO CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000072178049 562731952 /nfs/dbraw/zinc/73/19/52/562731952.db2.gz CXMWGANXUIYQHS-NAYUSWPISA-N 1 0 579.701 4.131 1 0 KIAFRO Cc1cccc(S(=O)(=O)Nc2cccc(-c3cc(NC(=O)c4ccc(N5CC[NH+](C)CC5)cc4)n[nH]3)c2)c1 ZINC000072178155 562731983 /nfs/dbraw/zinc/73/19/83/562731983.db2.gz JWZRVKDTKFYYDV-UHFFFAOYSA-N 1 0 530.654 4.190 1 0 KIAFRO Cc1ccc(S(=O)(=O)Nc2cccc(-c3cc(NC(=O)c4ccc(N5CC[NH+](C)CC5)cc4)n[nH]3)c2)cc1 ZINC000072178156 562731990 /nfs/dbraw/zinc/73/19/90/562731990.db2.gz VVCHAUHKIVIULZ-UHFFFAOYSA-N 1 0 530.654 4.190 1 0 KIAFRO CCC(=O)NCC(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C ZINC000072178241 562732001 /nfs/dbraw/zinc/73/20/01/562732001.db2.gz FZGSPNQJLONFEO-LJWNLINESA-N 1 0 593.850 4.334 1 0 KIAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)CNC(=O)C(F)(F)F)C(C)C)C(C)C)ccc1OC ZINC000072178320 562732041 /nfs/dbraw/zinc/73/20/41/562732041.db2.gz PDSNNHSSWPJYDF-CQJMVLFOSA-N 1 0 633.793 4.487 1 0 KIAFRO CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000072179148 562732249 /nfs/dbraw/zinc/73/22/49/562732249.db2.gz ARGFTQPZVHHPDB-NAYUSWPISA-N 1 0 611.768 4.228 1 0 KIAFRO C[C@H](Oc1cc(-c2cnn(CC(=O)NCCC[NH+](C)C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072180401 562732505 /nfs/dbraw/zinc/73/25/05/562732505.db2.gz SVTVYRAZHFXLAP-AWEZNQCLSA-N 1 0 509.413 4.181 1 0 KIAFRO C[C@@H](Oc1cc(-c2cnn(CC(=O)NCCC[NH+](C)C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000072180402 562732496 /nfs/dbraw/zinc/73/24/96/562732496.db2.gz SVTVYRAZHFXLAP-CQSZACIVSA-N 1 0 509.413 4.181 1 0 KIAFRO CS(=O)(=O)c1ccc(COc2cc(OCCC[NH+]3CCCC3)ccc2C(=O)Nc2cccc(O)c2)cc1 ZINC000072180891 562732588 /nfs/dbraw/zinc/73/25/88/562732588.db2.gz LRRSZEWDFAGDMX-UHFFFAOYSA-N 1 0 524.639 4.492 1 0 KIAFRO CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CC[NH+](C)CC3)nc2)cc2c1cnn2C(C)C ZINC000072318026 562733212 /nfs/dbraw/zinc/73/32/12/562733212.db2.gz WCKDYPHUXUBMEB-UHFFFAOYSA-N 1 0 541.700 4.310 1 0 KIAFRO O=C([C@H]1C[NH2+]CC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ncco2)c2cccc(F)c12)C1CC1 ZINC000073129965 562733351 /nfs/dbraw/zinc/73/33/51/562733351.db2.gz QZXDATHVRTVPJZ-NGOKVRLYSA-N 1 0 524.543 4.083 1 0 KIAFRO O=C([C@H]1C[NH2+]CC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccon2)c2cccc(F)c12)C1CC1 ZINC000073129967 562733346 /nfs/dbraw/zinc/73/33/46/562733346.db2.gz IYTSDTLEKPMRCI-PIKZIKFNSA-N 1 0 524.543 4.083 1 0 KIAFRO Cc1cc(Cn2cc(CN(C(=O)[C@H]3C[NH2+]CC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c3c2cccc3F)no1 ZINC000073138218 562733335 /nfs/dbraw/zinc/73/33/35/562733335.db2.gz LONGBUKARLUIMU-MNNSJKJDSA-N 1 0 538.570 4.392 1 0 KIAFRO O=C([C@H]1C[NH2+]CC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccnc2)c2cccc(F)c12)C1CC1 ZINC000073138498 562733399 /nfs/dbraw/zinc/73/33/99/562733399.db2.gz GTPUUTXWVUCADD-DJUQAAIZSA-N 1 0 534.582 4.490 1 0 KIAFRO O=C([C@H]1C[NH2+]CC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccncc2)c2cccc(F)c12)C1CC1 ZINC000073138500 562733390 /nfs/dbraw/zinc/73/33/90/562733390.db2.gz WHFCAFURBKBBKC-DJUQAAIZSA-N 1 0 534.582 4.490 1 0 KIAFRO O=C([C@H]1C[NH2+]CC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1c[nH]c2cccc(Br)c12)C1CC1 ZINC000073138641 562733418 /nfs/dbraw/zinc/73/34/18/562733418.db2.gz CPXLZICOKBVEDB-OSPHWJPCSA-N 1 0 504.375 4.197 1 0 KIAFRO COCCCn1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c1c(Cn1ccnc1)ccc2F ZINC000073139915 562733542 /nfs/dbraw/zinc/73/35/42/562733542.db2.gz AJMOXIHRFKBMKQ-GOXGLGGOSA-N 1 0 595.666 4.328 1 0 KIAFRO COCCCn1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c1cccc2F ZINC000073140260 562733588 /nfs/dbraw/zinc/73/35/88/562733588.db2.gz QETRMJYOTVAWOJ-PIKZIKFNSA-N 1 0 515.576 4.083 1 0 KIAFRO COc1ccc(CN(CC[N@H+](C)C[C@H](C)Nc2ccc3[nH]c(C(=O)N4CCN(C)CC4)cc3c2)c2ccccn2)cc1 ZINC000073140944 562733660 /nfs/dbraw/zinc/73/36/60/562733660.db2.gz YMLNOWNONRZEDQ-VWLOTQADSA-N 1 0 569.754 4.398 1 0 KIAFRO COc1ccc(CN(CC[N@H+](C)C[C@@H](C)Nc2ccc3[nH]c(C(=O)N4CCN(C)CC4)cc3c2)c2ccccn2)cc1 ZINC000073140947 562733632 /nfs/dbraw/zinc/73/36/32/562733632.db2.gz YMLNOWNONRZEDQ-RUZDIDTESA-N 1 0 569.754 4.398 1 0 KIAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)cc(OCCOC)c1 ZINC000073156068 562733808 /nfs/dbraw/zinc/73/38/08/562733808.db2.gz MWXLYTROOQGXBN-VIZCGCQYSA-N 1 0 544.639 4.095 1 0 KIAFRO CC[C@H]1CN(c2nc(N)c(C(=O)NCC(F)(F)F)nc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000073156735 562733850 /nfs/dbraw/zinc/73/38/50/562733850.db2.gz DYIXAZRMYDXDKM-SFHVURJKSA-N 1 0 574.479 4.223 1 0 KIAFRO CCCO[C@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](C(C)C)C2=O)C1 ZINC000073160639 562734045 /nfs/dbraw/zinc/73/40/45/562734045.db2.gz VWOLQCVVABTFAB-FNBYOJNGSA-N 1 0 585.736 4.016 1 0 KIAFRO CCCO[C@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](CC(C)C)C2=O)C1 ZINC000073160643 562734044 /nfs/dbraw/zinc/73/40/44/562734044.db2.gz HXZAKSZKAREBFC-BGLHFFMUSA-N 1 0 599.763 4.406 1 0 KIAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)C1=O ZINC000073161306 562734084 /nfs/dbraw/zinc/73/40/84/562734084.db2.gz SMPAHDBHYSCFQF-NMZYJBRJSA-N 1 0 642.841 4.028 1 0 KIAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)C1=O ZINC000073161310 562734073 /nfs/dbraw/zinc/73/40/73/562734073.db2.gz SMPAHDBHYSCFQF-SXXDCNOLSA-N 1 0 642.841 4.028 1 0 in-vitro KIAFRO CCCCn1cc(CCCOc2ccc(C(=O)NCCCC[NH+]3CCN(c4ccccc4OC)CC3)cc2OC)nn1 ZINC000073162841 562734191 /nfs/dbraw/zinc/73/41/91/562734191.db2.gz ROYIVTSMYARVGE-UHFFFAOYSA-N 1 0 578.758 4.439 1 0 KIAFRO CCOC(=O)N1CC[NH+](CCCCCCCCN2C(=O)N(CC(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000073162912 562734209 /nfs/dbraw/zinc/73/42/09/562734209.db2.gz FAHHXPUSFNOJNR-UHFFFAOYSA-N 1 0 592.737 4.482 1 0 KIAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ncccc32)CC1)C1CCN(C(=O)C=Cc2cc(F)c(F)c(F)c2)CC1 ZINC000073165943 562734446 /nfs/dbraw/zinc/73/44/46/562734446.db2.gz KSCWDPYMAMOLRV-CAZBCQHLSA-N 1 0 539.602 4.402 1 0 KIAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ncccc32)CC1)C1CCN(C(=O)C=Cc2cc(F)c(F)c(F)c2)CC1 ZINC000073165946 562734445 /nfs/dbraw/zinc/73/44/45/562734445.db2.gz KSCWDPYMAMOLRV-PNJCLAGZSA-N 1 0 539.602 4.402 1 0 KIAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3cnccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073165949 562734436 /nfs/dbraw/zinc/73/44/36/562734436.db2.gz NWAOGFHWRZTWPH-RTYUYELGSA-N 1 0 539.602 4.402 1 0 KIAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3cnccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073165952 562734458 /nfs/dbraw/zinc/73/44/58/562734458.db2.gz NWAOGFHWRZTWPH-LXRZIAOOSA-N 1 0 539.602 4.402 1 0 KIAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(Cl)c(F)c2)C2CC2)cc(OCCOC)c1 ZINC000073167244 562734606 /nfs/dbraw/zinc/73/46/06/562734606.db2.gz KRWJFUBQWFLSGP-IRPSRAIASA-N 1 0 549.083 4.072 1 0 KIAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3cccnc32)CC1)C1CCN(C(=O)C=Cc2cc(F)c(F)c(F)c2)CC1 ZINC000073168336 562734693 /nfs/dbraw/zinc/73/46/93/562734693.db2.gz GSURBLRTRXACOM-CAZBCQHLSA-N 1 0 539.602 4.402 1 0 KIAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3cccnc32)CC1)C1CCN(C(=O)C=Cc2cc(F)c(F)c(F)c2)CC1 ZINC000073168339 562734695 /nfs/dbraw/zinc/73/46/95/562734695.db2.gz GSURBLRTRXACOM-PNJCLAGZSA-N 1 0 539.602 4.402 1 0 KIAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)C1 ZINC000073169718 562734859 /nfs/dbraw/zinc/73/48/59/562734859.db2.gz BCYFHAGPLKUFAF-OIDJQKMLSA-N 1 0 510.560 4.227 1 0 KIAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)C1 ZINC000073169720 562734879 /nfs/dbraw/zinc/73/48/79/562734879.db2.gz BCYFHAGPLKUFAF-XCBGREHWSA-N 1 0 510.560 4.227 1 0 KIAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@]23OC=Cc2ccccc23)C2CC2)cc(OCCOC)c1 ZINC000073170207 562734908 /nfs/dbraw/zinc/73/49/08/562734908.db2.gz KMLLEVUPKXCGML-VEEOACQBSA-N 1 0 520.670 4.288 1 0 KIAFRO C[C@H](O)C[NH+]1CCC(c2ccc(Nc3ncc4ccc(-c5ccccc5N(C)S(C)(=O)=O)n4n3)cc2)CC1 ZINC000073195745 562734954 /nfs/dbraw/zinc/73/49/54/562734954.db2.gz QSAUPKPUCQZYSW-FQEVSTJZSA-N 1 0 534.686 4.096 1 0 KIAFRO COCCCc1ccc(F)c2c(CN(C(=O)[C@H]3C[NH2+]CC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c[nH]c21 ZINC000073195833 562734938 /nfs/dbraw/zinc/73/49/38/562734938.db2.gz YXCBIJXQIYZLHF-PIKZIKFNSA-N 1 0 515.576 4.153 1 0 KIAFRO COc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+]([C@@H]3COCC[C@@]3(O)c3ccccc3)CC2)cc1 ZINC000073196979 562735198 /nfs/dbraw/zinc/73/51/98/562735198.db2.gz PPTNBOMZAVBNST-FQLXRVMXSA-N 1 0 540.657 4.171 1 0 KIAFRO CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2c(c1)O[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000073197141 562735282 /nfs/dbraw/zinc/73/52/82/562735282.db2.gz XWODTYJWLAAROK-GDLZYMKVSA-N 1 0 552.578 4.011 1 0 KIAFRO CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2c(c1)O[C@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000073197142 562735295 /nfs/dbraw/zinc/73/52/95/562735295.db2.gz XWODTYJWLAAROK-LJAQVGFWSA-N 1 0 552.578 4.011 1 0 KIAFRO Cc1cccc2c(CC[NH2+]Cc3ccc(CC[NH2+]C[C@H](O)c4ccc([O-])c5[nH]c(=O)sc54)cc3)c[nH]c21 ZINC000073197769 562735503 /nfs/dbraw/zinc/73/55/03/562735503.db2.gz HRIMLSKWGJERPD-VWLOTQADSA-N 1 0 516.667 4.283 1 0 KIAFRO O=C(OCc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(C[NH2+]C3CC3)ccc2Cl)C2CC2)cc1)c1ccccc1 ZINC000073198723 562735803 /nfs/dbraw/zinc/73/58/03/562735803.db2.gz SHKHDPGITHQNRY-SSEXGKCCSA-N 1 0 587.120 4.445 1 0 KIAFRO CC[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000073199222 562735964 /nfs/dbraw/zinc/73/59/64/562735964.db2.gz YQADQTFSMLQAIZ-GDLZYMKVSA-N 1 0 575.109 4.303 1 0 KIAFRO Cc1cccc2c(CC[NH2+]Cc3cccc(CC[NH2+]C[C@H](O)c4ccc([O-])c5[nH]c(=O)sc54)c3)c[nH]c21 ZINC000073199388 562735994 /nfs/dbraw/zinc/73/59/94/562735994.db2.gz RZAFGCJAAYEIMV-VWLOTQADSA-N 1 0 516.667 4.283 1 0 KIAFRO C[NH+](C)CCCNc1nc(N2CCc3[nH]c4ccccc4c3C2)nc(N2CCc3[nH]c4ccccc4c3C2)n1 ZINC000073200089 562736117 /nfs/dbraw/zinc/73/61/17/562736117.db2.gz FUTWINOOAAMVAG-UHFFFAOYSA-N 1 0 521.673 4.323 1 0 KIAFRO COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OCC[NH+]5CCCCC5)cc43)cn2)c1 ZINC000073222449 562736390 /nfs/dbraw/zinc/73/63/90/562736390.db2.gz OSEYUXXMDLYZKE-UHFFFAOYSA-N 1 0 532.601 4.139 1 0 KIAFRO CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)N[C@@H]3CCC[NH2+]C3)c2C1 ZINC000073224455 562736706 /nfs/dbraw/zinc/73/67/06/562736706.db2.gz YSSBOOQPHTZACI-CYBMUJFWSA-N 1 0 556.445 4.029 1 0 in-vitro KIAFRO CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)NC[C@H]3CCC[NH2+]3)c2C1 ZINC000073224456 562736677 /nfs/dbraw/zinc/73/66/77/562736677.db2.gz FWFGUZWWBVRJFF-CYBMUJFWSA-N 1 0 556.445 4.029 1 0 KIAFRO CC(C)([NH3+])CNC(=O)c1c(Nc2ccc(I)cc2F)sc2c1CC(C)(C)CNC2=O ZINC000073240478 562736878 /nfs/dbraw/zinc/73/68/78/562736878.db2.gz INBLNUOYZJIQBN-UHFFFAOYSA-N 1 0 544.434 4.015 1 0 KIAFRO COc1cc(C[NH2+][C@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)cc(OC)c1OC ZINC000073258223 562737054 /nfs/dbraw/zinc/73/70/54/562737054.db2.gz XHZSKDSLWRZSAI-CHXHCODASA-N 1 0 593.629 4.233 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2cccc(C)c2)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000073275029 562737260 /nfs/dbraw/zinc/73/72/60/562737260.db2.gz SUOVSKFZWHJHSK-WJOKGBTCSA-N 1 0 617.878 4.099 1 0 KIAFRO CCOC(=O)C(=O)N(Cc1ccc(F)c(F)c1)c1ccc2c(c1)O[C@@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000073275573 562737255 /nfs/dbraw/zinc/73/72/55/562737255.db2.gz QLNHOCKNFPMCPS-GDLZYMKVSA-N 1 0 552.578 4.011 1 0 KIAFRO CCOC(=O)C(=O)N(Cc1ccc(F)c(F)c1)c1ccc2c(c1)O[C@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000073275576 562737252 /nfs/dbraw/zinc/73/72/52/562737252.db2.gz QLNHOCKNFPMCPS-LJAQVGFWSA-N 1 0 552.578 4.011 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)[NH+]2CCC(C(C)=O)CC2)CC1 ZINC000073275584 562737248 /nfs/dbraw/zinc/73/72/48/562737248.db2.gz KIBDJJXRHBWQSZ-HKBQPEDESA-N 1 0 567.796 4.378 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccccc2)[NH+]2CCC(C(C)=O)CC2)CC1 ZINC000073275587 562737278 /nfs/dbraw/zinc/73/72/78/562737278.db2.gz KIBDJJXRHBWQSZ-WJOKGBTCSA-N 1 0 567.796 4.378 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2cccc(Cl)c2)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000073276439 562737294 /nfs/dbraw/zinc/73/72/94/562737294.db2.gz KYLOZBUIUJEBQB-SSEXGKCCSA-N 1 0 638.296 4.444 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)C2CCN(C(C)=O)CC2)CC1 ZINC000073279116 562737434 /nfs/dbraw/zinc/73/74/34/562737434.db2.gz NHZGJOFLEPXQTB-HKBQPEDESA-N 1 0 567.796 4.378 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)C2CCN(C(C)=O)CC2)CC1 ZINC000073279120 562737401 /nfs/dbraw/zinc/73/74/01/562737401.db2.gz NHZGJOFLEPXQTB-WJOKGBTCSA-N 1 0 567.796 4.378 1 0 KIAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2cc(C)cc(C)c2)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000073291900 562737512 /nfs/dbraw/zinc/73/75/12/562737512.db2.gz IKWARAQMGAFTPX-JGCGQSQUSA-N 1 0 631.905 4.408 1 0 KIAFRO COc1ccc(C2=NN(CCCCCC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@H]3CCCC[C@H]23)cc1OC ZINC000073292696 562737547 /nfs/dbraw/zinc/73/75/47/562737547.db2.gz FUMSMBXWHGSXJH-DPZBCOQUSA-N 1 0 566.699 4.214 1 0 KIAFRO COc1ccc(C2=NN(CCCCCC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC ZINC000073292697 562737568 /nfs/dbraw/zinc/73/75/68/562737568.db2.gz FUMSMBXWHGSXJH-XFAFFCHDSA-N 1 0 566.699 4.214 1 0 KIAFRO COc1ccc(C2=NN(CCCCCC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC ZINC000073292701 562737560 /nfs/dbraw/zinc/73/75/60/562737560.db2.gz FUMSMBXWHGSXJH-DXBVXKBHSA-N 1 0 566.699 4.214 1 0 KIAFRO COc1ccc(C2=NN(CCCCCC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000073292702 562737563 /nfs/dbraw/zinc/73/75/63/562737563.db2.gz FUMSMBXWHGSXJH-OASJLCFRSA-N 1 0 566.699 4.214 1 0 KIAFRO COc1cc([C@H]2c3cc4c(cc3[C@H]([NH2+]Cc3ccc(F)cc3)[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O ZINC000073311762 562737902 /nfs/dbraw/zinc/73/79/02/562737902.db2.gz KPTPAZOGVODZMU-XSGUUIGASA-N 1 0 507.514 4.043 1 0 KIAFRO COc1cc([C@H]2c3cc4c(cc3[C@H]([NH2+]Cc3ccc(F)cc3)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O ZINC000073311765 562737922 /nfs/dbraw/zinc/73/79/22/562737922.db2.gz KPTPAZOGVODZMU-IWRQBJDLSA-N 1 0 507.514 4.043 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]Cc3cccc(F)c3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000073370586 562738408 /nfs/dbraw/zinc/73/84/08/562738408.db2.gz OLGPRXCDUWIWSG-NEBIIKFJSA-N 1 0 507.514 4.043 1 0 KIAFRO O=C([C@H]1C[NH2+]CC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cnoc2)c2cccc(F)c12)C1CC1 ZINC000073404088 562738688 /nfs/dbraw/zinc/73/86/88/562738688.db2.gz GSTOXAXQXFXCNT-PIKZIKFNSA-N 1 0 524.543 4.083 1 0 KIAFRO COc1ccc2ccc(S(=O)(=O)N(Cc3ccsc3)[C@H]3CCN(Cc4csc(C(N)=[NH2+])c4)C3=O)cc2c1 ZINC000082092502 562738862 /nfs/dbraw/zinc/73/88/62/562738862.db2.gz GWOFKCKOEZWDOK-QHCPKHFHSA-N 1 0 554.719 4.247 1 0 KIAFRO CC(=O)N[C@]1(CC(C)C)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3C[NH2+]2)C1=O ZINC000082136664 562739022 /nfs/dbraw/zinc/73/90/22/562739022.db2.gz JJJDOYFRIVNWHV-WUCUQKTKSA-N 1 0 660.806 4.222 1 0 in-vitro KIAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3C[NH2+]2)C1=O ZINC000082137914 562739007 /nfs/dbraw/zinc/73/90/07/562739007.db2.gz XLKDNRYXYLCLKU-MHUVBVRWSA-N 1 0 660.806 4.222 1 0 KIAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3C[NH2+]2)C1=O ZINC000082137915 562739001 /nfs/dbraw/zinc/73/90/01/562739001.db2.gz XLKDNRYXYLCLKU-PNCBXCILSA-N 1 0 660.806 4.222 1 0 KIAFRO CC(C)C[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Oc3ccccn3)C[NH2+]2)C1=O ZINC000082137946 562739028 /nfs/dbraw/zinc/73/90/28/562739028.db2.gz XUDKRDYEFWKYOR-YLBSFMFUSA-N 1 0 634.768 4.454 1 0 KIAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3ccccc3C[NH2+]2)C1=O ZINC000082137948 562739026 /nfs/dbraw/zinc/73/90/26/562739026.db2.gz XLKDNRYXYLCLKU-MYNJJXQVSA-N 1 0 660.806 4.222 1 0 KIAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3ccccc3C[NH2+]2)C1=O ZINC000082137949 562739030 /nfs/dbraw/zinc/73/90/30/562739030.db2.gz XLKDNRYXYLCLKU-ZXVFGHITSA-N 1 0 660.806 4.222 1 0 KIAFRO COCCCc1cc(CCCNS(C)(=O)=O)c(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 ZINC000082137974 562739072 /nfs/dbraw/zinc/73/90/72/562739072.db2.gz XYRCXXGEWXZMCD-NEEKEDPPSA-N 1 0 640.193 4.205 1 0 KIAFRO COCCCc1cc(CCCN2CCS(=O)(=O)CC2)c(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 ZINC000082137977 562739076 /nfs/dbraw/zinc/73/90/76/562739076.db2.gz UYULRDAPYWFIRZ-SJHOIFEDSA-N 1 0 680.258 4.386 1 0 KIAFRO CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](S(=O)(=O)CCC)C[NH2+]2)cc(-c2ncco2)c1 ZINC000082137988 562739080 /nfs/dbraw/zinc/73/90/80/562739080.db2.gz YDOMJVDTZBDVFM-GKIKGMKOSA-N 1 0 660.784 4.139 1 0 KIAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)C1=O ZINC000082138026 562739107 /nfs/dbraw/zinc/73/91/07/562739107.db2.gz CSMGKZHGVDOCQO-PJWOYFMXSA-N 1 0 704.859 4.455 1 0 KIAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)C1=O ZINC000082138027 562739116 /nfs/dbraw/zinc/73/91/16/562739116.db2.gz CSMGKZHGVDOCQO-UGQCBMFMSA-N 1 0 704.859 4.455 1 0 KIAFRO CCC[C@@H](O)[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)C1=O ZINC000082138074 562739194 /nfs/dbraw/zinc/73/91/94/562739194.db2.gz ZRBJRIFNTXBCRI-BWNLSPMZSA-N 1 0 637.768 4.162 1 0 KIAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1 ZINC000082138105 562739226 /nfs/dbraw/zinc/73/92/26/562739226.db2.gz FLLNPTJXMMMUIQ-FMOZQJFPSA-N 1 0 676.805 4.060 1 0 KIAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)C1=O ZINC000082138106 562739238 /nfs/dbraw/zinc/73/92/38/562739238.db2.gz RCAZOLSIRITUKZ-BAPDXFNQSA-N 1 0 678.821 4.306 1 0 KIAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)C1=O ZINC000082138107 562739206 /nfs/dbraw/zinc/73/92/06/562739206.db2.gz RCAZOLSIRITUKZ-JLYIGVDZSA-N 1 0 678.821 4.306 1 0 KIAFRO CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](COC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H]5CCCN5C(=O)[C@@H]([NH3+])C(C)C)O4)c(=O)nc3o2)cc1 ZINC000082139271 562739247 /nfs/dbraw/zinc/73/92/47/562739247.db2.gz YWMSTMRFRVOUSA-IFKVSGBNSA-N 1 0 741.886 4.283 1 0 KIAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3cccc(OC)c3C[NH2+]2)C1=O ZINC000082139824 562739241 /nfs/dbraw/zinc/73/92/41/562739241.db2.gz PBXQNTXVQOUXNO-VFVXUOGLSA-N 1 0 690.832 4.231 1 0 KIAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3cccc(OC)c3C[NH2+]2)C1=O ZINC000082139828 562739230 /nfs/dbraw/zinc/73/92/30/562739230.db2.gz PBXQNTXVQOUXNO-ZUJXMTDKSA-N 1 0 690.832 4.231 1 0 KIAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3cccc(OC)c3C[NH2+]2)C1=O ZINC000082139831 562739211 /nfs/dbraw/zinc/73/92/11/562739211.db2.gz PBXQNTXVQOUXNO-YMWQSEFASA-N 1 0 690.832 4.231 1 0 KIAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3cccc(OC)c3C[NH2+]2)C1=O ZINC000082139836 562739224 /nfs/dbraw/zinc/73/92/24/562739224.db2.gz PBXQNTXVQOUXNO-HVPMHKHCSA-N 1 0 690.832 4.231 1 0 KIAFRO CCCS[C@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@](NC(C)=O)([C@@H](C)CC)C2=O)C1 ZINC000082139880 562739259 /nfs/dbraw/zinc/73/92/59/562739259.db2.gz XYDSBMUOZQMRGN-IQKAAWDYSA-N 1 0 672.883 4.381 1 0 KIAFRO CCCS[C@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@](NC(C)=O)([C@H](C)CC)C2=O)C1 ZINC000082139882 562739253 /nfs/dbraw/zinc/73/92/53/562739253.db2.gz XYDSBMUOZQMRGN-MLKLTFHDSA-N 1 0 672.883 4.381 1 0 KIAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Oc3ccccc3)C[NH2+]2)C1=O ZINC000082139927 562739277 /nfs/dbraw/zinc/73/92/77/562739277.db2.gz PVYCGZPNCKAIJN-GFTVEPPYSA-N 1 0 690.832 4.317 1 0 KIAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Oc3ccccc3)C[NH2+]2)C1=O ZINC000082139932 562739284 /nfs/dbraw/zinc/73/92/84/562739284.db2.gz PVYCGZPNCKAIJN-GSGBZKRBSA-N 1 0 690.832 4.317 1 0 KIAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000082140107 562739359 /nfs/dbraw/zinc/73/93/59/562739359.db2.gz OTVGKTJOMMZKIN-MRCUYLHHSA-N 1 0 651.752 4.140 1 0 KIAFRO C[N@@H+]1CCC[C@@H]1CCN1CC(=O)N(CCc2ccc(Cl)cc2Cl)[C@H](CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(N)=O)C1=O ZINC000082140207 562739353 /nfs/dbraw/zinc/73/93/53/562739353.db2.gz BDUVFTBZOLFDIP-SHQCIBLASA-N 1 0 685.480 4.313 1 0 KIAFRO C[N@@H+]1CCC[C@H]1CCN1CC(=O)N(CCc2ccc(Cl)cc2Cl)[C@H](CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(N)=O)C1=O ZINC000082140210 562739367 /nfs/dbraw/zinc/73/93/67/562739367.db2.gz BDUVFTBZOLFDIP-RPLLCQBOSA-N 1 0 685.480 4.313 1 0 KIAFRO CC[C@H](C)[C@H]([NH3+])C(=O)OCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082140398 562739450 /nfs/dbraw/zinc/73/94/50/562739450.db2.gz IRMHZFZYZPUHRC-XEKDWEFSSA-N 1 0 724.752 4.494 1 0 KIAFRO CC[C@H](C)[C@H]([NH3+])C(=O)OCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082140400 562739453 /nfs/dbraw/zinc/73/94/53/562739453.db2.gz IRMHZFZYZPUHRC-WYPRCDIJSA-N 1 0 724.752 4.494 1 0 KIAFRO CC[C@H](C)[C@H]([NH3+])C(=O)OCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082140404 562739470 /nfs/dbraw/zinc/73/94/70/562739470.db2.gz IRMHZFZYZPUHRC-YLLWXPDDSA-N 1 0 724.752 4.494 1 0 KIAFRO CC[C@H](C)[C@H]([NH3+])C(=O)OCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082140407 562739448 /nfs/dbraw/zinc/73/94/48/562739448.db2.gz IRMHZFZYZPUHRC-JNVQQXDSSA-N 1 0 724.752 4.494 1 0 KIAFRO CC[C@H](C)[C@H]([NH3+])C(=O)OCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000082140665 562739555 /nfs/dbraw/zinc/73/95/55/562739555.db2.gz LUKGYLLCENHDOX-MZQQQKNNSA-N 1 0 676.752 4.461 1 0 KIAFRO CC[C@H](C)[C@H]([NH3+])C(=O)OCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000082140668 562739547 /nfs/dbraw/zinc/73/95/47/562739547.db2.gz LUKGYLLCENHDOX-ZIQVUBBISA-N 1 0 676.752 4.461 1 0 KIAFRO CC[C@H](C)[C@H]([NH3+])C(=O)OCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000082140672 562739553 /nfs/dbraw/zinc/73/95/53/562739553.db2.gz LUKGYLLCENHDOX-KYKUJKBKSA-N 1 0 676.752 4.461 1 0 KIAFRO CC[C@H](C)[C@H]([NH3+])C(=O)OCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000082140675 562739542 /nfs/dbraw/zinc/73/95/42/562739542.db2.gz LUKGYLLCENHDOX-YEHUUIJISA-N 1 0 676.752 4.461 1 0 KIAFRO C[N@@H+]1CCC[C@@H]1CCN(CC(N)=O)C(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCc1ccc(Cl)cc1Cl ZINC000082140690 562739558 /nfs/dbraw/zinc/73/95/58/562739558.db2.gz YBCKOENWTNBNHC-SHQCIBLASA-N 1 0 685.480 4.313 1 0 KIAFRO C[N@@H+]1CCC[C@H]1CCN(CC(N)=O)C(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCc1ccc(Cl)cc1Cl ZINC000082140693 562739534 /nfs/dbraw/zinc/73/95/34/562739534.db2.gz YBCKOENWTNBNHC-RPLLCQBOSA-N 1 0 685.480 4.313 1 0 KIAFRO CC(C)[C@H]([NH3+])C(=O)OCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082149242 562739639 /nfs/dbraw/zinc/73/96/39/562739639.db2.gz QWFCLEXDJBBONT-OWVQLGGNSA-N 1 0 710.725 4.103 1 0 KIAFRO CC(C)[C@H]([NH3+])C(=O)OCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082149245 562739726 /nfs/dbraw/zinc/73/97/26/562739726.db2.gz QWFCLEXDJBBONT-CTOASPRMSA-N 1 0 710.725 4.103 1 0 KIAFRO CC(C)[C@H]([NH3+])C(=O)OCCO[P@@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082149248 562739712 /nfs/dbraw/zinc/73/97/12/562739712.db2.gz QWFCLEXDJBBONT-UGZOSMEOSA-N 1 0 710.725 4.103 1 0 KIAFRO CC(C)[C@H]([NH3+])C(=O)OCCO[P@](=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082149251 562739685 /nfs/dbraw/zinc/73/96/85/562739685.db2.gz QWFCLEXDJBBONT-OMLSZBFHSA-N 1 0 710.725 4.103 1 0 KIAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H]([NH+]2CCCCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 ZINC000082150503 562739819 /nfs/dbraw/zinc/73/98/19/562739819.db2.gz PKVLFHBYTINTEU-NMVJMZGASA-N 1 0 565.658 4.049 1 0 KIAFRO CC(C)Cc1ccc([C@@H](C)C(=O)OCCCO[P@@](=O)(COCCn2cnc3c2ncnc3N)OCCOC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000082152093 562740028 /nfs/dbraw/zinc/74/00/28/562740028.db2.gz WNUCJIXUUCJIHN-CPTGFLPCSA-N 1 0 662.725 4.071 1 0 KIAFRO CC(C)Cc1ccc([C@H](C)C(=O)OCCCO[P@@](=O)(COCCn2cnc3c2ncnc3N)OCCOC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000082152096 562740018 /nfs/dbraw/zinc/74/00/18/562740018.db2.gz WNUCJIXUUCJIHN-XNSLICOZSA-N 1 0 662.725 4.071 1 0 KIAFRO CC(C)Cc1ccc([C@@H](C)C(=O)OCCCO[P@](=O)(COCCn2cnc3c2ncnc3N)OCCOC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000082152099 562740005 /nfs/dbraw/zinc/74/00/05/562740005.db2.gz WNUCJIXUUCJIHN-AZKLOEIQSA-N 1 0 662.725 4.071 1 0 KIAFRO CC(C)Cc1ccc([C@H](C)C(=O)OCCCO[P@](=O)(COCCn2cnc3c2ncnc3N)OCCOC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000082152100 562740010 /nfs/dbraw/zinc/74/00/10/562740010.db2.gz WNUCJIXUUCJIHN-RCCJNIRYSA-N 1 0 662.725 4.071 1 0 KIAFRO O=C(OCc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(CC[NH2+]C3CC3)ccc2Cl)C2CC2)cc1)c1ccccc1 ZINC000082153262 562740164 /nfs/dbraw/zinc/74/01/64/562740164.db2.gz HVFMZOOARRZMCF-WJOKGBTCSA-N 1 0 601.147 4.488 1 0 KIAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)n(C(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)n1 ZINC000082154695 562740375 /nfs/dbraw/zinc/74/03/75/562740375.db2.gz JBPRLTFPZDCXLG-ZDUSSCGKSA-N 1 0 537.427 4.129 1 0 KIAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)n(C(=O)N[C@H](C)c2c(Cl)ccc(F)c2Cl)n1 ZINC000082154697 562740386 /nfs/dbraw/zinc/74/03/86/562740386.db2.gz JBPRLTFPZDCXLG-CYBMUJFWSA-N 1 0 537.427 4.129 1 0 KIAFRO O=C(OCc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(C[NH2+]CCF)ccc2Cl)C2CC2)cc1)c1ccccc1 ZINC000082155116 562740459 /nfs/dbraw/zinc/74/04/59/562740459.db2.gz NCJYOIUAEHNMSP-GDLZYMKVSA-N 1 0 593.099 4.252 1 0 KIAFRO CC[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000082155124 562740462 /nfs/dbraw/zinc/74/04/62/562740462.db2.gz RLJVDPYFKKDXBZ-SSEXGKCCSA-N 1 0 589.136 4.345 1 0 KIAFRO Cc1ccncc1CN(c1ccc([S@](C)=O)cc1)C1CC[NH+]([C@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 ZINC000082155317 562740530 /nfs/dbraw/zinc/74/05/30/562740530.db2.gz CXDATJCGJCBTES-NMKYRHBASA-N 1 0 548.757 4.214 1 0 KIAFRO Cc1ccncc1CN(c1ccc([S@@](C)=O)cc1)C1CC[NH+]([C@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 ZINC000082155318 562740514 /nfs/dbraw/zinc/74/05/14/562740514.db2.gz CXDATJCGJCBTES-HEWAONCGSA-N 1 0 548.757 4.214 1 0 KIAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)nn1C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000082156158 562740665 /nfs/dbraw/zinc/74/06/65/562740665.db2.gz VDPYYJNCZZXRMC-ZDUSSCGKSA-N 1 0 537.427 4.129 1 0 KIAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)nn1C(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000082156160 562740670 /nfs/dbraw/zinc/74/06/70/562740670.db2.gz VDPYYJNCZZXRMC-CYBMUJFWSA-N 1 0 537.427 4.129 1 0 KIAFRO CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OCCN3CC[NH+](C)CC3)c(c2)C1 ZINC000082156829 562740762 /nfs/dbraw/zinc/74/07/62/562740762.db2.gz JZZOHGCQTMNNHS-ONEGZZNKSA-N 1 0 514.674 4.284 1 0 KIAFRO CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3Cl)c(C(=O)N3CC[NH2+]CC3)c2C1 ZINC000082157959 562741002 /nfs/dbraw/zinc/74/10/02/562741002.db2.gz WYURAYNXEQDFHF-UHFFFAOYSA-N 1 0 558.873 4.107 1 0 KIAFRO NC(=O)C[NH+]1CCC(c2ccc(Nc3ncc4ccc(-c5cccc6c5OC(F)(F)O6)n4n3)cc2)CC1 ZINC000082158111 562741051 /nfs/dbraw/zinc/74/10/51/562741051.db2.gz DZPFKGQUWAWYKE-UHFFFAOYSA-N 1 0 506.513 4.126 1 0 KIAFRO Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)CCCC[NH3+])CC5)CCOCC4)c3Cl)c2n1 ZINC000082181777 562741982 /nfs/dbraw/zinc/74/19/82/562741982.db2.gz PFDFEFYVSAWUFO-UHFFFAOYSA-N 1 0 706.693 4.365 1 0 KIAFRO CC(=O)N[C@]1(CC(C)C)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3ccccc3C[NH2+]2)C1=O ZINC000082190378 562742568 /nfs/dbraw/zinc/74/25/68/562742568.db2.gz JJJDOYFRIVNWHV-KPCONBHMSA-N 1 0 660.806 4.222 1 0 KIAFRO COc1ccc2c(c1)NC(=O)[C@]21[C@@H](CC(C)(C)C)[NH2+][C@@H](C(=O)N(C)C)[C@@H]1c1cccc(Br)c1 ZINC000084347135 562742904 /nfs/dbraw/zinc/74/29/04/562742904.db2.gz COANFFXINYRGIZ-SRCYTUNASA-N 1 0 514.464 4.296 1 0 KIAFRO Cc1nnc(CNC(=O)[C@H]([NH3+])Cc2ccccc2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000084462276 562743115 /nfs/dbraw/zinc/74/31/15/562743115.db2.gz XYXUMFWVLVISNG-JOCHJYFZSA-N 1 0 508.409 4.300 1 0 KIAFRO Cc1nnc(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000084462277 562743085 /nfs/dbraw/zinc/74/30/85/562743085.db2.gz XYXUMFWVLVISNG-QFIPXVFZSA-N 1 0 508.409 4.300 1 0 KIAFRO CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)[NH2+]Cc2ccccc2)CC1 ZINC000084462358 562743119 /nfs/dbraw/zinc/74/31/19/562743119.db2.gz ZUDBSAASSLDPJS-SANMLTNESA-N 1 0 591.561 4.389 1 0 KIAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000084541435 562743279 /nfs/dbraw/zinc/74/32/79/562743279.db2.gz FONNZOZMHZFHAD-ZCYQVOJMSA-N 1 0 568.479 4.256 1 0 KIAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCCC1 ZINC000084587226 562743517 /nfs/dbraw/zinc/74/35/17/562743517.db2.gz NYAVJXWOIUBMDR-UIOOFZCWSA-N 1 0 591.675 4.115 1 0 KIAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(CNc3ncccn3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084596036 562743634 /nfs/dbraw/zinc/74/36/34/562743634.db2.gz UDEJLQNCPTXIRE-UHFFFAOYSA-N 1 0 527.113 4.244 1 0 KIAFRO CC(=O)N1CCC(C(=O)N(CCCN2CC[NH+](Cc3ccccc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084596040 562743655 /nfs/dbraw/zinc/74/36/55/562743655.db2.gz LMUVEBQDMVQESZ-UHFFFAOYSA-N 1 0 511.110 4.448 1 0 KIAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)c2ccccc2)c(C)c1 ZINC000084596114 562743616 /nfs/dbraw/zinc/74/36/16/562743616.db2.gz ZBIJSTZDZCPBBF-AHWVRZQESA-N 1 0 513.560 4.060 1 0 KIAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 ZINC000084596646 562743783 /nfs/dbraw/zinc/74/37/83/562743783.db2.gz XXSYYROUPIQINM-GOTSBHOMSA-N 1 0 509.569 4.095 1 0 KIAFRO CC(=O)NCCc1ccccc1-c1onc([C@H]2C[NH2+]CC[C@]2(O)c2ccc(F)c(F)c2)c1Br ZINC000084596661 562743759 /nfs/dbraw/zinc/74/37/59/562743759.db2.gz SEGYVZKSGPIGLE-KOSHJBKYSA-N 1 0 520.374 4.026 1 0 KIAFRO C[NH+]1CCN(Cc2ccc(Nc3ncc(Cl)c(-c4ccc(F)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1 ZINC000084596663 562743794 /nfs/dbraw/zinc/74/37/94/562743794.db2.gz RJDWEZHVKJPGPL-UHFFFAOYSA-N 1 0 545.084 4.212 1 0 KIAFRO CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)ncc1Cl ZINC000084596664 562743769 /nfs/dbraw/zinc/74/37/69/562743769.db2.gz IXXWDPGESOQMEG-UHFFFAOYSA-N 1 0 530.098 4.398 1 0 KIAFRO O=C(C[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084596706 562743812 /nfs/dbraw/zinc/74/38/12/562743812.db2.gz XJJWAAUEPPMZAF-PMERELPUSA-N 1 0 616.763 4.049 1 0 KIAFRO O=C(C[C@H](Nc1ccc2n[nH]cc2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084596848 562743811 /nfs/dbraw/zinc/74/38/11/562743811.db2.gz SEERNRBNLSYARJ-HKBQPEDESA-N 1 0 612.779 4.249 1 0 KIAFRO Cc1nc(C2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 ZINC000084597083 562743935 /nfs/dbraw/zinc/74/39/35/562743935.db2.gz FHXBOCMGLGSFAE-VQTJNVASSA-N 1 0 503.956 4.356 1 0 KIAFRO CC(C)[C@H](C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000084602245 562743995 /nfs/dbraw/zinc/74/39/95/562743995.db2.gz OKVSGEHKMMWDCX-SSEXGKCCSA-N 1 0 562.711 4.295 1 0 KIAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](C1CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000084604360 562744269 /nfs/dbraw/zinc/74/42/69/562744269.db2.gz FYALXMSHRVYJDG-SSEXGKCCSA-N 1 0 538.648 4.433 1 0 KIAFRO COc1ccc(-c2nc(C(=O)N[C@H](CO)c3ccccc3)c([C@H](C)[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000084615853 562744536 /nfs/dbraw/zinc/74/45/36/562744536.db2.gz CSRHBOSHJUKGAS-SUMWQHHRSA-N 1 0 500.477 4.400 1 0 KIAFRO COc1ccc(-c2nc(C(=O)N[C@H](CO)c3ccccc3)c([C@@H](C)[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000084615855 562744498 /nfs/dbraw/zinc/74/44/98/562744498.db2.gz CSRHBOSHJUKGAS-CXAGYDPISA-N 1 0 500.477 4.400 1 0 KIAFRO CC(=O)NCCc1cc(F)ccc1-c1onc([C@H]2C[NH2+]CC[C@]2(O)c2ccc(F)c(F)c2)c1Br ZINC000084616305 562744594 /nfs/dbraw/zinc/74/45/94/562744594.db2.gz WPTSXGNZZOZOLL-KOSHJBKYSA-N 1 0 538.364 4.165 1 0 KIAFRO CCC[C@H](O)[C@H](C[N@H+](C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C ZINC000084616321 562744599 /nfs/dbraw/zinc/74/45/99/562744599.db2.gz BVWJBXPYCNRVLJ-UIOOFZCWSA-N 1 0 593.691 4.360 1 0 KIAFRO Cc1c(NCC[NH+]2CCCC2)cc(COCC(F)(F)F)cc1N1CCN(c2ncnc3n[nH]c(Br)c32)CC1 ZINC000084616378 562744624 /nfs/dbraw/zinc/74/46/24/562744624.db2.gz YJOVRFFTOQUZOT-UHFFFAOYSA-N 1 0 597.484 4.337 1 0 KIAFRO CC(=O)NCCc1ccccc1-c1noc([C@H]2C[NH2+]CC[C@]2(O)c2ccc(F)c(F)c2)c1Br ZINC000084616579 562744617 /nfs/dbraw/zinc/74/46/17/562744617.db2.gz MMQZUVZXVOBUEW-KOSHJBKYSA-N 1 0 520.374 4.026 1 0 KIAFRO Cc1nc(N2CC[NH+](C3CCOCC3)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000084616755 562744639 /nfs/dbraw/zinc/74/46/39/562744639.db2.gz FATLRKJCHAOJJR-UHFFFAOYSA-N 1 0 545.562 4.155 1 0 KIAFRO O=C1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OC(F)(F)O4)N12 ZINC000084617043 562744790 /nfs/dbraw/zinc/74/47/90/562744790.db2.gz ADULNWJZMJDOOW-WIISGGPLSA-N 1 0 570.596 4.449 1 0 KIAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC)cc(C(F)(F)F)c1 ZINC000084617341 562744865 /nfs/dbraw/zinc/74/48/65/562744865.db2.gz YGOCSXYXTZRMLB-GOTSBHOMSA-N 1 0 508.585 4.128 1 0 KIAFRO O=C1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4nsnc4c3)N12 ZINC000084617506 562744914 /nfs/dbraw/zinc/74/49/14/562744914.db2.gz AVUKARMFMSCVHB-AQEANLGOSA-N 1 0 548.672 4.132 1 0 KIAFRO O=C(Nc1ccccc1F)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000084617812 562744942 /nfs/dbraw/zinc/74/49/42/562744942.db2.gz UMEJHAKQJWHBGO-PMERELPUSA-N 1 0 633.769 4.222 1 0 KIAFRO CN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)ncc1C(F)(F)F ZINC000084618191 562745070 /nfs/dbraw/zinc/74/50/70/562745070.db2.gz QGBJUFFSIXSITO-UHFFFAOYSA-N 1 0 513.568 4.432 1 0 KIAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C ZINC000084618428 562745057 /nfs/dbraw/zinc/74/50/57/562745057.db2.gz ACFBGSHYQKWEDV-DQEYMECFSA-N 1 0 579.664 4.018 1 0 KIAFRO O=C(C[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000084619211 562745227 /nfs/dbraw/zinc/74/52/27/562745227.db2.gz MENXBAROGHKEFJ-HSZRJFAPSA-N 1 0 571.530 4.208 1 0 KIAFRO O=C(C[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000084619213 562745238 /nfs/dbraw/zinc/74/52/38/562745238.db2.gz MENXBAROGHKEFJ-QHCPKHFHSA-N 1 0 571.530 4.208 1 0 KIAFRO O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000084619214 562745210 /nfs/dbraw/zinc/74/52/10/562745210.db2.gz MCKCMNMEXZQLEV-AREMUKBSSA-N 1 0 571.530 4.380 1 0 KIAFRO O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000084619216 562745208 /nfs/dbraw/zinc/74/52/08/562745208.db2.gz MCKCMNMEXZQLEV-SANMLTNESA-N 1 0 571.530 4.380 1 0 KIAFRO Cc1ccc(S(=O)(=O)Nc2ccc(CNc3nc(N4CC[NH+](C)CC4)nc4ccccc43)cc2)cc1 ZINC000084619242 562745217 /nfs/dbraw/zinc/74/52/17/562745217.db2.gz VSTBVWUSFJRDRE-UHFFFAOYSA-N 1 0 502.644 4.103 1 0 KIAFRO CC(C)N(C(=O)[C@H](c1cccnc1)[C@@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1F)c1ccccc1)C(C)C ZINC000084623694 562745420 /nfs/dbraw/zinc/74/54/20/562745420.db2.gz HQVBUMDWEUYFES-KJYTXNCISA-N 1 0 504.650 4.420 1 0 KIAFRO CC(C)N(C(=O)[C@H](c1cccnc1)[C@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1F)c1ccccc1)C(C)C ZINC000084623696 562745408 /nfs/dbraw/zinc/74/54/08/562745408.db2.gz HQVBUMDWEUYFES-BIYCFNCWSA-N 1 0 504.650 4.420 1 0 KIAFRO Cc1c(NCC[NH+]2CCCC2)cc(OCC(C)C)cc1N1CCN(c2ncnc3n[nH]c(Br)c32)CC1 ZINC000084632482 562745519 /nfs/dbraw/zinc/74/55/19/562745519.db2.gz VWBUFACHINJXSO-UHFFFAOYSA-N 1 0 557.541 4.293 1 0 KIAFRO O=C(C[C@@H]1COc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000084632546 562745582 /nfs/dbraw/zinc/74/55/82/562745582.db2.gz HMKUBEVQKKBKBW-HXUWFJFHSA-N 1 0 573.502 4.049 1 0 KIAFRO O=C(C[C@H]1COc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000084632549 562745567 /nfs/dbraw/zinc/74/55/67/562745567.db2.gz HMKUBEVQKKBKBW-FQEVSTJZSA-N 1 0 573.502 4.049 1 0 KIAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)NCC)cc(C(F)(F)F)c1 ZINC000084633155 562745657 /nfs/dbraw/zinc/74/56/57/562745657.db2.gz LJOSKDWMASSFAZ-ZEQRLZLVSA-N 1 0 565.637 4.228 1 0 KIAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1OC ZINC000084633160 562745654 /nfs/dbraw/zinc/74/56/54/562745654.db2.gz KXWNTVQCYZNJRZ-VXKWHMMOSA-N 1 0 509.569 4.095 1 0 KIAFRO O=C1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)nc3)N12 ZINC000084633947 562745832 /nfs/dbraw/zinc/74/58/32/562745832.db2.gz YYSFJRUNPCMSLB-PRNYMFJNSA-N 1 0 526.040 4.176 1 0 KIAFRO C[NH+]1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccc(F)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1 ZINC000084633967 562745795 /nfs/dbraw/zinc/74/57/95/562745795.db2.gz UZBAAHPJEABJQF-UHFFFAOYSA-N 1 0 560.099 4.288 1 0 KIAFRO CN(c1ccc(F)cc1S(=O)(=O)N1CCCC1)c1nc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)ncc1Cl ZINC000084634135 562745838 /nfs/dbraw/zinc/74/58/38/562745838.db2.gz LCPBTKFYDZMFAL-UHFFFAOYSA-N 1 0 574.126 4.313 1 0 KIAFRO O=C(C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000084634980 562746064 /nfs/dbraw/zinc/74/60/64/562746064.db2.gz IDZOADSETDAIJB-HSZRJFAPSA-N 1 0 588.561 4.227 1 0 KIAFRO O=C(C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000084634984 562746041 /nfs/dbraw/zinc/74/60/41/562746041.db2.gz IDZOADSETDAIJB-QHCPKHFHSA-N 1 0 588.561 4.227 1 0 KIAFRO O=C1CN([C@@H]2CC[N@H+](CC3CCCCC3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000084635155 562746120 /nfs/dbraw/zinc/74/61/20/562746120.db2.gz IOHNZWLAZVXYKA-PCFFTZKOSA-N 1 0 540.664 4.236 1 0 KIAFRO Cc1nc(Nc2cc(-c3ccc(CNC(=O)OCc4ccccc4)cc3)[nH]n2)cc(N2CCN(C)CC2)n1 ZINC000084652060 562746341 /nfs/dbraw/zinc/74/63/41/562746341.db2.gz HRNJXVNMZJIOTD-UHFFFAOYSA-N 1 0 512.618 4.097 1 0 KIAFRO COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(C[NH3+])n(C)n(-c3ccccc3)c2=O)cc1F ZINC000084652126 562746422 /nfs/dbraw/zinc/74/64/22/562746422.db2.gz RYQBKVFFHMNFTM-UHFFFAOYSA-N 1 0 513.529 4.375 1 0 KIAFRO COc1cc(N2CCC(C(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084652153 562746456 /nfs/dbraw/zinc/74/64/56/562746456.db2.gz DANLGJDQJRMLRP-HSZRJFAPSA-N 1 0 561.735 4.229 1 0 KIAFRO COc1cc(N2CCC(C(=O)N3CC[C@H]([NH+](C)C)C3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084652154 562746428 /nfs/dbraw/zinc/74/64/28/562746428.db2.gz DANLGJDQJRMLRP-QHCPKHFHSA-N 1 0 561.735 4.229 1 0 KIAFRO COc1cc(N2CCC(C[NH+]3CCOCC3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084652156 562746454 /nfs/dbraw/zinc/74/64/54/562746454.db2.gz OLOBPNVGBFMVHS-UHFFFAOYSA-N 1 0 520.682 4.398 1 0 KIAFRO CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)C[NH2+][C@H]1CC2(CC(F)C2)Oc2ncc(CC(C)(C)C)cc21 ZINC000084652515 562746567 /nfs/dbraw/zinc/74/65/67/562746567.db2.gz MCGUJRKODGUNIJ-SAHVEFSUSA-N 1 0 501.618 4.202 1 0 KIAFRO CN(C)S(=O)(=O)c1ccc(NC(=S)N2CC[NH+](C3c4ccccc4CCc4ccccc43)CC2)cc1 ZINC000084652618 562746628 /nfs/dbraw/zinc/74/66/28/562746628.db2.gz ZIKVEPIUAAGNRW-UHFFFAOYSA-N 1 0 520.724 4.140 1 0 KIAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]cc(CC(F)F)c4c3)[C@@H]2O)c1 ZINC000084653228 562746772 /nfs/dbraw/zinc/74/67/72/562746772.db2.gz OOZZVYSXZBAROL-PSUQPPDWSA-N 1 0 504.643 4.379 1 0 in-vitro KIAFRO COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc(CC[NH3+])cc1Br)=NO2 ZINC000084653275 562746819 /nfs/dbraw/zinc/74/68/19/562746819.db2.gz DJOILUOUAWXGIG-PZJWPPBQSA-N 1 0 717.047 4.019 1 0 KIAFRO CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)C[NH2+][C@H]1CC2(CC(F)C2)Oc2ncc(CC(C)(C)C)cc21 ZINC000084653395 562746847 /nfs/dbraw/zinc/74/68/47/562746847.db2.gz KNVGUGLUCJPLGZ-SAHVEFSUSA-N 1 0 501.618 4.202 1 0 KIAFRO CCC(=O)Nc1cccc(N2C(=O)N(C)Cc3cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)nc32)c1 ZINC000084653749 562746955 /nfs/dbraw/zinc/74/69/55/562746955.db2.gz LEFZNHWPCLWHRD-UHFFFAOYSA-N 1 0 530.633 4.033 1 0 KIAFRO Nc1ncc(-c2cnn(C3CC[NH2+]CC3)c2)cc1-c1nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2o1 ZINC000084653794 562746986 /nfs/dbraw/zinc/74/69/86/562746986.db2.gz KYSXILVPHTYTKQ-UHFFFAOYSA-N 1 0 533.589 4.200 1 0 KIAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(-c4ccoc4)c3)[C@@H]2O)c1 ZINC000084653845 562746981 /nfs/dbraw/zinc/74/69/81/562746981.db2.gz OVECGFUVEQTVAK-PSUQPPDWSA-N 1 0 500.636 4.072 1 0 KIAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(CCC(F)(F)F)c3)[C@@H]2O)c1 ZINC000084653846 562746988 /nfs/dbraw/zinc/74/69/88/562746988.db2.gz ZQEYWHUMECPRLK-UCFCWBNQSA-N 1 0 530.628 4.307 1 0 KIAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H](Cc3cc4c(c(F)c3)NCC43CCC3)[C@@H]2O)c1 ZINC000084654026 562747133 /nfs/dbraw/zinc/74/71/33/562747133.db2.gz ORQHYSJSJRKSEL-PSUQPPDWSA-N 1 0 500.680 4.077 1 0 KIAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(-c4ccco4)c3)[C@@H]2O)c1 ZINC000084654700 562747325 /nfs/dbraw/zinc/74/73/25/562747325.db2.gz YBNSYBGLSOPBBM-BLFHIAQRSA-N 1 0 500.636 4.072 1 0 KIAFRO CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)C[NH2+][C@H]1CC2(CC(F)(F)C2)Oc2ncc(CC(C)(C)C)cc21 ZINC000084668414 562747589 /nfs/dbraw/zinc/74/75/89/562747589.db2.gz SONMRCAKXOZZEP-KMDXXIMOSA-N 1 0 519.608 4.499 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000084668504 562747658 /nfs/dbraw/zinc/74/76/58/562747658.db2.gz WDBLAZNCHMHPRY-UHFFFAOYSA-N 1 0 512.654 4.435 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCN2C(=O)N([C@@H](C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000084668505 562747641 /nfs/dbraw/zinc/74/76/41/562747641.db2.gz OWKFSAPNSLRNSZ-SANMLTNESA-N 1 0 584.717 4.367 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCN2C(=O)N([C@H](C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000084668506 562747650 /nfs/dbraw/zinc/74/76/50/562747650.db2.gz OWKFSAPNSLRNSZ-AREMUKBSSA-N 1 0 584.717 4.367 1 0 KIAFRO C[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H]([NH2+]Cc3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000084668746 562747749 /nfs/dbraw/zinc/74/77/49/562747749.db2.gz ULGBCGLZQYCGRH-SPCUFACSSA-N 1 0 546.627 4.141 1 0 KIAFRO CCOC[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H]([NH2+]Cc3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000084669160 562747894 /nfs/dbraw/zinc/74/78/94/562747894.db2.gz UJZFSYZNJMWXJO-NJONLQHESA-N 1 0 590.680 4.158 1 0 in-vitro KIAFRO CCOC[C@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H]([NH2+]Cc3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000084669161 562747886 /nfs/dbraw/zinc/74/78/86/562747886.db2.gz UJZFSYZNJMWXJO-VWMGCSKSSA-N 1 0 590.680 4.158 1 0 KIAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(CNC(=O)Oc5ccccc5)cc4)[nH]n3)cc2)CC1 ZINC000084669640 562748017 /nfs/dbraw/zinc/74/80/17/562748017.db2.gz VQWQMCSERGTZMF-UHFFFAOYSA-N 1 0 510.598 4.369 1 0 KIAFRO COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(C)n(C[C@H](O)C[NH3+])n(-c3ccccc3)c2=O)cc1F ZINC000084669968 562748157 /nfs/dbraw/zinc/74/81/57/562748157.db2.gz NXVHOYBQFPQTBF-OAQYLSRUSA-N 1 0 557.582 4.008 1 0 KIAFRO COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(C)n(C[C@@H](O)C[NH3+])n(-c3ccccc3)c2=O)cc1F ZINC000084669969 562748148 /nfs/dbraw/zinc/74/81/48/562748148.db2.gz NXVHOYBQFPQTBF-NRFANRHFSA-N 1 0 557.582 4.008 1 0 KIAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCCC(F)(F)F)c3)[C@@H]2O)c1 ZINC000084670575 562748321 /nfs/dbraw/zinc/74/83/21/562748321.db2.gz HCNAIANLPZIMKT-ZHRMCQFGSA-N 1 0 546.627 4.143 1 0 KIAFRO COc1ccc2ccc(S(=O)(=O)N(Cc3ccccc3)[C@H]3CCN(Cc4ccc(C(N)=[NH2+])s4)C3=O)cc2c1 ZINC000084670990 562748406 /nfs/dbraw/zinc/74/84/06/562748406.db2.gz KKFJNRXJRRYNRJ-VWLOTQADSA-N 1 0 548.690 4.186 1 0 in-vitro KIAFRO CC1(CO/C(C(=O)Nc2cccc(Cl)c2)=C(/C=[NH2+])N2CCN(S(=O)(=O)NCc3nc4ccccc4s3)CC2)CC1 ZINC000084671106 562748445 /nfs/dbraw/zinc/74/84/45/562748445.db2.gz ZPPYXMZEIRMQDJ-SYTPGCSYSA-N 1 0 603.170 4.218 1 0 KIAFRO CC1(CO/C(C(=O)Nc2cccc(Cl)c2)=C(/C=[NH2+])N2CCN(S(=O)(=O)NCc3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000084671108 562748444 /nfs/dbraw/zinc/74/84/44/562748444.db2.gz HGJGHIFWPZDMMF-JEFNQQRUSA-N 1 0 621.547 4.403 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000084671120 562748435 /nfs/dbraw/zinc/74/84/35/562748435.db2.gz ZZIYYUNIVIIWAU-CCDWMCETSA-N 1 0 501.618 4.393 1 0 KIAFRO COc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084671558 562748577 /nfs/dbraw/zinc/74/85/77/562748577.db2.gz OOKFETVTUPUMHG-IBGZPJMESA-N 1 0 506.655 4.008 1 0 KIAFRO COc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084671559 562748559 /nfs/dbraw/zinc/74/85/59/562748559.db2.gz OOKFETVTUPUMHG-LJQANCHMSA-N 1 0 506.655 4.008 1 0 KIAFRO COc1cc(N2CCC([NH+]3CCOCC3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084671560 562748609 /nfs/dbraw/zinc/74/86/09/562748609.db2.gz CYWJZNCONMFGQE-UHFFFAOYSA-N 1 0 506.655 4.151 1 0 KIAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(N(C)CC[NH+](C)C)oc2c1 ZINC000084672180 562748757 /nfs/dbraw/zinc/74/87/57/562748757.db2.gz FTKKBBITVQQSEP-WUFINQPMSA-N 1 0 622.792 4.279 1 0 KIAFRO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1ccc2cc(F)ccc2c1 ZINC000084687764 562748979 /nfs/dbraw/zinc/74/89/79/562748979.db2.gz WUHZDRRKSFZNJA-PTSROERVSA-N 1 0 514.597 4.047 1 0 KIAFRO CNC(=O)c1cc(Nc2ncc(F)c(N(C)c3ccc4c(C)n[nH]c4c3)n2)ccc1OCC1CC[NH2+]CC1 ZINC000084688278 562749145 /nfs/dbraw/zinc/74/91/45/562749145.db2.gz FOAUCHYYIKEJEM-UHFFFAOYSA-N 1 0 518.597 4.050 1 0 KIAFRO Cn1cc(C[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)c2ccccc21 ZINC000084689301 562749305 /nfs/dbraw/zinc/74/93/05/562749305.db2.gz UGVTUQAEJUZTMQ-SSEXGKCCSA-N 1 0 611.791 4.256 1 0 KIAFRO O=C(N[C@@H](Cc1ccc2[nH]ccc2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000084689304 562749298 /nfs/dbraw/zinc/74/92/98/562749298.db2.gz SGQSLILVTRDLTM-PMERELPUSA-N 1 0 597.764 4.246 1 0 KIAFRO O=C(N[C@H](Cc1ccc2[nH]ccc2c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000084689307 562749352 /nfs/dbraw/zinc/74/93/52/562749352.db2.gz SGQSLILVTRDLTM-SSEXGKCCSA-N 1 0 597.764 4.246 1 0 KIAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(NCC[NH+](C)C)oc2c1 ZINC000084690463 562749599 /nfs/dbraw/zinc/74/95/99/562749599.db2.gz GUUNMYDKORYEGX-RRPNLBNLSA-N 1 0 608.765 4.255 1 0 KIAFRO CO[C@@H](C(=O)O[C@@H]1C[N@@H+]2Cc3cc4c(cc3[C@]13C=C[C@@H](OC(=O)[C@@H](OC)c1ccccc1)C[C@H]23)OCO4)c1ccccc1 ZINC000084690638 562749736 /nfs/dbraw/zinc/74/97/36/562749736.db2.gz UPQVVGROCBSODO-FYYPQZCNSA-N 1 0 583.637 4.410 1 0 KIAFRO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000084690693 562749718 /nfs/dbraw/zinc/74/97/18/562749718.db2.gz JIZRFQIOTHWMPY-SSEXGKCCSA-N 1 0 597.764 4.246 1 0 KIAFRO O=C(N[C@H](CCc1ccccc1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000084703728 562749804 /nfs/dbraw/zinc/74/98/04/562749804.db2.gz GKJYAPGFSZTXDD-GDLZYMKVSA-N 1 0 572.754 4.154 1 0 KIAFRO CCC[N@H+](CCCOc1ccc(Br)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084706918 562750027 /nfs/dbraw/zinc/75/00/27/562750027.db2.gz YNRKSOHRAVRHMB-HSZRJFAPSA-N 1 0 509.395 4.388 1 0 KIAFRO CCC[N@H+](CCCOc1ccc(Br)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084706920 562750007 /nfs/dbraw/zinc/75/00/07/562750007.db2.gz YNRKSOHRAVRHMB-QHCPKHFHSA-N 1 0 509.395 4.388 1 0 KIAFRO Cc1nc2cc(C[C@@H](NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N3CCC([NH+]4CCCCC4)CC3)ccc2[nH]1 ZINC000084707465 562750147 /nfs/dbraw/zinc/75/01/47/562750147.db2.gz UWIDYEIOJDREEC-JGCGQSQUSA-N 1 0 626.806 4.481 1 0 KIAFRO O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC2(CC1)NC(c1ccccc1)=NC2=O ZINC000084708781 562750199 /nfs/dbraw/zinc/75/01/99/562750199.db2.gz LMPHOXYGKFAVAU-GDLZYMKVSA-N 1 0 626.827 4.410 1 0 KIAFRO O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000084708783 562750208 /nfs/dbraw/zinc/75/02/08/562750208.db2.gz SEOYWDQOGDAFAG-SSEXGKCCSA-N 1 0 628.843 4.427 1 0 KIAFRO Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1ccnc(=O)[nH]1 ZINC000084709040 562750251 /nfs/dbraw/zinc/75/02/51/562750251.db2.gz XEBIKXNLTIXWSW-UHFFFAOYSA-N 1 0 520.593 4.148 1 0 KIAFRO CCN(C)c1nc2ccc(C(=O)N(CC[NH+]3CCCC3)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OCc3cncs3)cc2o1 ZINC000084710475 562750515 /nfs/dbraw/zinc/75/05/15/562750515.db2.gz JVUSBRIMSCDKMU-WUFINQPMSA-N 1 0 620.776 4.177 1 0 KIAFRO O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(CC[NH+]1CCCC1)C(=O)c1ccc2nc(N3CCCC3)oc2c1)OCc1cncs1 ZINC000084710478 562750534 /nfs/dbraw/zinc/75/05/34/562750534.db2.gz FVLSAYPPCYXSQP-URLMMPGGSA-N 1 0 632.787 4.321 1 0 KIAFRO Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1nccc(=O)[nH]1 ZINC000084714615 562750981 /nfs/dbraw/zinc/75/09/81/562750981.db2.gz CXBWIISLEGGOOQ-UHFFFAOYSA-N 1 0 520.593 4.148 1 0 KIAFRO Cc1nc(C)c(-c2ccc(N3C(=O)N(c4cc(=O)[nH]cn4)C4(CC[NH+](Cc5ncccc5C)CC4)C3=O)cc2)s1 ZINC000084722844 562751096 /nfs/dbraw/zinc/75/10/96/562751096.db2.gz MRDYEAJRUPFRFX-UHFFFAOYSA-N 1 0 555.664 4.222 1 0 KIAFRO CNC(=O)c1ccc(-c2ccc(N3C(=O)N(c4cc(OC)ncn4)C4(CC[NH+](Cc5ncccc5C)CC4)C3=O)cc2)cc1 ZINC000084727208 562751369 /nfs/dbraw/zinc/75/13/69/562751369.db2.gz MRIBBXXALNMJDD-UHFFFAOYSA-N 1 0 591.672 4.223 1 0 KIAFRO C[C@@H](NC(=O)Cn1c(CN(C(=O)c2ccc(C(=O)[O-])cc2)c2ccc(OC3CCN(C(N)=[NH2+])CC3)cc2)nc2cc(C(N)=[NH2+])ccc21)c1ccccc1 ZINC000084728083 562751436 /nfs/dbraw/zinc/75/14/36/562751436.db2.gz OGFAHTDSWOEDNI-XMMPIXPASA-N 1 0 715.815 4.480 1 0 KIAFRO Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccccc3)cc1)C(=O)N2c1cc(=O)[nH]cn1 ZINC000084729121 562751508 /nfs/dbraw/zinc/75/15/08/562751508.db2.gz SGDWPIDXMHBDQC-UHFFFAOYSA-N 1 0 520.593 4.148 1 0 KIAFRO C[C@H](NC(=O)Cn1c(CN(C(=O)c2ccc(C(=O)[O-])cc2)c2ccc(OC3CCN(C(N)=[NH2+])CC3)cc2)nc2cc(C(N)=[NH2+])ccc21)c1ccccc1 ZINC000084730956 562751664 /nfs/dbraw/zinc/75/16/64/562751664.db2.gz OGFAHTDSWOEDNI-DEOSSOPVSA-N 1 0 715.815 4.480 1 0 KIAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cnc5ccccc5c4)cc3)cn2C)cc1C(=O)NCC[NH3+] ZINC000084731473 562751694 /nfs/dbraw/zinc/75/16/94/562751694.db2.gz BJWUVPNBHZIGBR-BQYQJAHWSA-N 1 0 561.646 4.275 1 0 KIAFRO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000084732846 562751843 /nfs/dbraw/zinc/75/18/43/562751843.db2.gz VZCUNBALUOBEHK-YADHBBJMSA-N 1 0 542.105 4.330 1 0 KIAFRO CC(=O)O[C@@H]1C[C@H](N2C[C@H](C(C)C)C2=O)[C@H](O)[C@@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)C[C@@H](OC(=O)CC(C)C)[C@@H]3[C@@]12C ZINC000084733188 562751894 /nfs/dbraw/zinc/75/18/94/562751894.db2.gz SUPKERYLYKAVRS-KIYBVETFSA-N 1 0 632.883 4.129 1 0 KIAFRO Cc1ccc2cccc(OCc3cc(S(=O)(=O)N4CCC[C@H]4C(=O)NCC4CC[NH2+]CC4)ccc3Cl)c2n1 ZINC000084739615 562752018 /nfs/dbraw/zinc/75/20/18/562752018.db2.gz FGPMFDQYQVBVJB-VWLOTQADSA-N 1 0 557.116 4.045 1 0 KIAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CCC[N@H+](C)CC5)cc4OC)ncc3CN(C)C2=O)c1 ZINC000084756788 562752301 /nfs/dbraw/zinc/75/23/01/562752301.db2.gz VQXJJEGSNGGQJK-UHFFFAOYSA-N 1 0 542.644 4.199 1 0 KIAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4C)ncc3CN(C)C2=O)c1 ZINC000084757234 562752376 /nfs/dbraw/zinc/75/23/76/562752376.db2.gz ZZGGOXMEIWLVTJ-UHFFFAOYSA-N 1 0 512.618 4.108 1 0 KIAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(C3CC3)C2=O)c1 ZINC000084757240 562752403 /nfs/dbraw/zinc/75/24/03/562752403.db2.gz AMFPVVQTYDTMMN-UHFFFAOYSA-N 1 0 554.655 4.341 1 0 KIAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OCC)ncc3CN(C)C2=O)c1 ZINC000084757945 562752461 /nfs/dbraw/zinc/75/24/61/562752461.db2.gz UCJOIOBLGZJVCC-UHFFFAOYSA-N 1 0 542.644 4.199 1 0 KIAFRO [NH2+]=C/C(=C(/OC1CCCC1)C(=O)Nc1cccc(Cl)c1)N1CCN(S(=O)(=O)Nc2ccccc2)CC1 ZINC000084758159 562752532 /nfs/dbraw/zinc/75/25/32/562752532.db2.gz RRBHVEFCBIRGAG-DTKMNITDSA-N 1 0 532.066 4.073 1 0 KIAFRO CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)C[C@@H](C[NH2+]C)[C@]2(O)C[C@H](Cc3cc[nH+]c(N)c3)C[C@H]2O)[C@H](O)C1 ZINC000085492520 517557799 /nfs/dbraw/zinc/55/77/99/517557799.db2.gz ZDWVKFLKFZGQEI-GOLNEKOQSA-N 1 0 603.845 4.080 1 0 biogenic,in-vitro KIAFRO CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)CC[C@]2(O)C[C@@H](Cc3cc[nH+]c(N)c3)[C@H](C[NH2+]CC)[C@H]2O)[C@H](O)C1 ZINC000085492550 291831579 /nfs/dbraw/zinc/83/15/79/291831579.db2.gz PDQLJRLHGKZPHF-MPIIIKLNSA-N 1 0 617.872 4.470 1 0 biogenic,in-vitro KIAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]5[N@@H+]4[C@H]3C[C@H]3CCC4=CC[C@@H](C)C[C@H]4[C@@]35O)[C@H]2[C@@H]1C ZINC000085532203 560072999 /nfs/dbraw/zinc/07/29/99/560072999.db2.gz OLUFJPISTHUDCW-JXBQPVGPSA-N 1 0 547.692 4.493 1 0 biogenic,in-vitro KIAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]5[N@@H+]4[C@H]3CC[C@]5(O)[C@H]3C=CC[C@@H](C)C3)[C@H]2[C@@H]1C ZINC000085532317 560072989 /nfs/dbraw/zinc/07/29/89/560072989.db2.gz LOFDHDWMJRXCGI-WTPKXBJHSA-N 1 0 521.654 4.103 1 0 biogenic,in-vitro KIAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CCCC(C)C)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1CO ZINC000085532361 560073017 /nfs/dbraw/zinc/07/30/17/560073017.db2.gz HSYVNVFRGVNUST-BQVNSTKJSA-N 1 0 567.723 4.069 1 0 biogenic,in-vitro KIAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CC4CCCCC4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1CO ZINC000085532383 560072711 /nfs/dbraw/zinc/07/27/11/560072711.db2.gz XDFSNTGVLCFDIU-KSPQIXATSA-N 1 0 579.734 4.213 1 0 biogenic,in-vitro KIAFRO CC[C@H](O)[C@@H]1[C@@H]2CC[C@@H](c3ccccc3)[C@@H]2C[C@H]2[C@@H]3C(=CCC[N@@H+]21)O/C(=C1/OC(=O)C(CO)=C1OC)[C@H]3C ZINC000085532411 560072821 /nfs/dbraw/zinc/07/28/21/560072821.db2.gz MZLYJBCYDMBRJK-PQTWXKPVSA-N 1 0 521.654 4.242 1 0 biogenic,in-vitro KIAFRO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CC)[N@@H+]3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](CO)[C@@H]4[C@@H]3C2)c1 ZINC000085532427 560072828 /nfs/dbraw/zinc/07/28/28/560072828.db2.gz NLNOPPFLYVBDIB-UNVFGNPLSA-N 1 0 581.750 4.386 1 0 biogenic,in-vitro KIAFRO O=Cc1ccc([C@@H](C2CCCC2)[C@H]2[C@@H]3C=C[C@@H]4N2[C@]4(O)[C@H]3[C@H]2CC[C@@H]3C[C@H](O)C4(CCCC4)[C@@H]3[NH2+]2)cc1 ZINC000085547708 291852183 /nfs/dbraw/zinc/85/21/83/291852183.db2.gz QRPKTFWBWHKINX-JHESIMFGSA-N 1 0 502.699 4.392 1 0 biogenic,in-vitro KIAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000085562728 562753287 /nfs/dbraw/zinc/75/32/87/562753287.db2.gz JKNNJZZOVRGGIF-PUPDPRJKSA-N 1 0 765.962 4.199 1 0 KIAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1cccc(-c2ccccc2)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000085562733 562753304 /nfs/dbraw/zinc/75/33/04/562753304.db2.gz PWCCIOHOEWYEKW-PUPDPRJKSA-N 1 0 765.962 4.199 1 0 KIAFRO CC[NH2+]COc1cc(OC)c2c3c1CNc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OCCCO)c1)CO4 ZINC000085567537 560070364 /nfs/dbraw/zinc/07/03/64/560070364.db2.gz ZLZPODWUSOWXIZ-BGOLNKOXSA-N 1 0 578.662 4.017 1 0 biogenic,in-vitro KIAFRO CC[NH2+][C@H](CCCO)Oc1cc(OC)c2c3c1CNc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 ZINC000085567540 291833985 /nfs/dbraw/zinc/83/39/85/291833985.db2.gz SHZZYFWKDCPCPH-PGRZUCIQSA-N 1 0 592.689 4.406 1 0 biogenic,in-vitro KIAFRO CC[NH2+][C@H](CCCO)Oc1cc(OC)c2c(c1)-c1c(O)cc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3 ZINC000085567544 560070384 /nfs/dbraw/zinc/07/03/84/560070384.db2.gz PLTAVVIGHDBLEB-AZXNYEMZSA-N 1 0 581.662 4.186 1 0 biogenic,in-vitro KIAFRO CC[NH2+]COc1cc(OC)c2c3c1CNc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 ZINC000085567547 560070361 /nfs/dbraw/zinc/07/03/61/560070361.db2.gz DZNJUGBBPMYXRA-SLQAJWMNSA-N 1 0 534.609 4.265 1 0 biogenic,in-vitro KIAFRO CC[NH2+]COc1cc(OC)c2c(c1)-c1c(O)cc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3 ZINC000085567565 291833248 /nfs/dbraw/zinc/83/32/48/291833248.db2.gz CXBONTVTWCHUTN-MMTVBGGISA-N 1 0 523.582 4.045 1 0 biogenic,in-vitro KIAFRO CC[NH2+]COc1cc(OC)c2c3c1CCc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 ZINC000085567576 560070368 /nfs/dbraw/zinc/07/03/68/560070368.db2.gz NJLMTIOAABVNCJ-JRPXNJEYSA-N 1 0 533.621 4.438 1 0 biogenic,in-vitro KIAFRO CC[NH2+][C@H](CCCO)Oc1cc(OC)c2c(c1)-c1ccc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3 ZINC000085567590 291833981 /nfs/dbraw/zinc/83/39/81/291833981.db2.gz YAURUPCNFDWSJK-PPSCSQRBSA-N 1 0 565.663 4.480 1 0 biogenic,in-vitro KIAFRO CC[NH2+]COc1cc(OC)c2c(c1)-c1ccc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OCCCO)c1)CO3 ZINC000085567591 291833201 /nfs/dbraw/zinc/83/32/01/291833201.db2.gz MVROYXDOQLDNBV-NGQVCNFZSA-N 1 0 551.636 4.092 1 0 biogenic,in-vitro KIAFRO CC[NH2+]COc1cc(OC)c2c(c1)-c1ccc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3 ZINC000085567604 560070402 /nfs/dbraw/zinc/07/04/02/560070402.db2.gz OCKZEGFBKPZENF-DWACAAAGSA-N 1 0 507.583 4.339 1 0 biogenic,in-vitro KIAFRO C[NH2+]CO[C@@H]1Cc2c(cc(OC)c3c2[C@@H](CCn2ccnc2)Cc2cc(O)ccc2-3)O[C@@H]1c1ccc(O)c(OC)c1 ZINC000085568177 291836764 /nfs/dbraw/zinc/83/67/64/291836764.db2.gz DCMXFUQVOKAEOI-BPSNQUDBSA-O 1 0 558.655 4.366 1 0 biogenic,in-vitro KIAFRO CC[NH2+]Cc1cc(O)c(OC)cc1[C@H]1Oc2c(ccc3c2CCc2cc(O)cc(OCO)c2-3)[C@@H]1COC(C)=O ZINC000085568446 291833189 /nfs/dbraw/zinc/83/31/89/291833189.db2.gz OQZIHXSKVDQKEZ-QABMSTFYSA-N 1 0 535.593 4.091 1 0 biogenic,in-vitro KIAFRO C[NH2+]CCOc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568466 291836443 /nfs/dbraw/zinc/83/64/43/291836443.db2.gz CTYIPIVVQHCVTN-NEKDWFFYSA-N 1 0 505.567 4.251 1 0 biogenic,in-vitro KIAFRO C[NH2+]Cc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cccc(O)c4)cc(OC)cc3[C@H]1O)[C@H](CCCOC)O2 ZINC000085592934 291837613 /nfs/dbraw/zinc/83/76/13/291837613.db2.gz JDMHDKMHIKSPOG-VUUBULTESA-N 1 0 579.690 4.299 1 0 biogenic,in-vitro KIAFRO C[NH2+]Cc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)[C@H](CCCOC)O2 ZINC000085592950 291837621 /nfs/dbraw/zinc/83/76/21/291837621.db2.gz UUMAAWUNIFXUFO-RLFVSDTQSA-N 1 0 527.658 4.315 1 0 biogenic,in-vitro KIAFRO C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2cc(N)ncc2CC(=O)N2CC(C[NH2+]C)C2)Cc2cc3cc(C4(CCO)CCCC4)c(=O)oc3cc2O1 ZINC000085594625 565151916 /nfs/dbraw/zinc/15/19/16/565151916.db2.gz ZXXPHDJEYWBFEY-MUVHRXEGSA-N 1 0 686.850 4.389 1 0 biogenic,in-vitro KIAFRO CNC(=[NH2+])Nc1cccc(CC[C@H](CO)CCCC[C@H](O)CC(=O)CCc2ccc(OC)c(OC)c2)c1 ZINC000085596191 291836168 /nfs/dbraw/zinc/83/61/68/291836168.db2.gz JNRBQGZFYCHCLG-NOZRDPDXSA-N 1 0 513.679 4.324 1 0 biogenic,in-vitro KIAFRO COc1cc(CC[C@H]2C[C@H](O)[C@H](CCO)[C@@H](c3cc(OC)c(O)c(OC[C@H]4[NH2+][C@@H](C)CC[C@@H]4Cc4ccnc(N)c4)c3)O2)ccc1O ZINC000085596594 291841293 /nfs/dbraw/zinc/84/12/93/291841293.db2.gz QOEUMVUPSPOICH-OMVAJPSKSA-N 1 0 651.801 4.293 1 0 biogenic,in-vitro KIAFRO COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCO)c3)O2)cc(OC[C@@H]2[NH2+][C@@H](C)CC[C@@H]2Cc2ccnc(N)c2)c1O ZINC000085596607 565155998 /nfs/dbraw/zinc/15/59/98/565155998.db2.gz GFXLVYNRSJOCNF-ZWXSIOQGSA-N 1 0 623.747 4.004 1 0 biogenic,in-vitro KIAFRO CC[NH2+]C1(COc2cc([C@H]3O[C@@H](CCc4ccc(O)c(OC)c4)C[C@H](O)[C@@H]3CCO)cc(OC)c2O)CCCC1 ZINC000085596634 291832929 /nfs/dbraw/zinc/83/29/29/291832929.db2.gz FNFLFXNWAVIECR-VAVWXBAFSA-N 1 0 559.700 4.238 1 0 biogenic,in-vitro KIAFRO CC[NH2+][C@H](CCCOC)COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OC)c3)O2)cc(OC)c1O ZINC000085596650 560063301 /nfs/dbraw/zinc/06/33/01/560063301.db2.gz NIINADLAKMOUTM-FVEXOFTDSA-N 1 0 533.662 4.112 1 0 biogenic,in-vitro KIAFRO CC(=O)O[C@@H](C[C@@H](OC(=O)[C@]12CCCC[C@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2CCCO3)CC[NH2+]CC1)[C@@H](CCCO)CC[C@H](C)O ZINC000085596730 291826894 /nfs/dbraw/zinc/82/68/94/291826894.db2.gz CQPIAPCXFDLUSL-RYWPLYEDSA-N 1 0 686.887 4.252 1 0 biogenic,in-vitro KIAFRO CC(=O)O[C@H](CCC[C@H](C)O)C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2CCCO3)CC[NH2+]CC1 ZINC000085596754 565155989 /nfs/dbraw/zinc/15/59/89/565155989.db2.gz PQAZXZQYFOUVAV-OMOGKTERSA-N 1 0 628.807 4.253 1 0 biogenic,in-vitro KIAFRO CCCC[C@H](CCCO)[C@H](C[C@@H](OC(C)=O)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1)OC(C)=O ZINC000085596844 560063266 /nfs/dbraw/zinc/06/32/66/560063266.db2.gz FLOONZIRFNWLOH-NRRYGQPISA-N 1 0 507.668 4.146 1 0 biogenic,in-vitro KIAFRO CNC(=[NH2+])N[C@@](CCCC(O)=CC(=O)CCc1ccc(O)c(OC2CCCC2)c1)(CCn1ccnc1)Cc1ccc(O)cc1 ZINC000085626973 565160315 /nfs/dbraw/zinc/16/03/15/565160315.db2.gz CLRYECHVUDCREQ-UMSFTDKQSA-O 1 0 604.772 4.482 1 0 biogenic,in-vitro KIAFRO [NH2+]=C(N[C@H](CCCC(=O)C=C(O)CCc1ccc(O)c(OC2CCCC2)c1)CCn1ccnc1)NC1CCCC1 ZINC000085627010 560068935 /nfs/dbraw/zinc/06/89/35/560068935.db2.gz PYGZNOXKBBWNLE-RUZDIDTESA-O 1 0 552.740 4.476 1 0 biogenic,in-vitro KIAFRO CNC(=[NH2+])NC[C@@H]1C[C@H]([C@H](O)C[C@@H](CCc2ccc(O)c(OC3CCCC3)c2)OC(C)=O)CC[C@H]1C ZINC000085628275 291836171 /nfs/dbraw/zinc/83/61/71/291836171.db2.gz HQUQFGYSBKXFSU-POHVQWNJSA-N 1 0 503.684 4.125 1 0 biogenic,in-vitro KIAFRO C[NH2+]C[C@H]1CCC[C@H](CCCC(=O)[C@H](O)C(=O)CCc2cc(OC)c(O)c([C@@H]3c4ccnc(N)c4C=C[C@@]3(CO)Cc3ccc[nH]3)c2)C1 ZINC000085631361 565163683 /nfs/dbraw/zinc/16/36/83/565163683.db2.gz HEXCFGSJCRWRBJ-ACTWAUODSA-N 1 0 657.832 4.500 1 0 biogenic,in-vitro KIAFRO C[NH2+]Cc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2)c1 ZINC000085632277 291837607 /nfs/dbraw/zinc/83/76/07/291837607.db2.gz WJZXZPRVYDDWGQ-PTYIDMFESA-N 1 0 587.693 4.402 1 0 biogenic,in-vitro KIAFRO CC(C)C[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N/C=C\c2ccc(cc2)O[C@H]1c1ccccc1)[NH+](C)C ZINC000085649054 562753363 /nfs/dbraw/zinc/75/33/63/562753363.db2.gz NAMLDTWANUOXLT-WLDNGRNGSA-N 1 0 568.718 4.096 1 0 KIAFRO CCN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH3+])CC2)S(=O)(=O)c1cnn(C)c1 ZINC000088260712 562753491 /nfs/dbraw/zinc/75/34/91/562753491.db2.gz QCBSTBNGBUOSRO-WIOPSUGQSA-N 1 0 537.513 4.416 1 0 KIAFRO CCN(CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([NH3+])CC2)S(=O)(=O)c1cnn(C)c1 ZINC000088260713 562753502 /nfs/dbraw/zinc/75/35/02/562753502.db2.gz QCBSTBNGBUOSRO-RCZVLFRGSA-N 1 0 537.513 4.416 1 0 KIAFRO CCN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000088260740 562753493 /nfs/dbraw/zinc/75/34/93/562753493.db2.gz WZBBSEWGWASASG-URLMMPGGSA-N 1 0 522.715 4.247 1 0 KIAFRO CCN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000088260741 562753505 /nfs/dbraw/zinc/75/35/05/562753505.db2.gz WZBBSEWGWASASG-FQLXRVMXSA-N 1 0 522.715 4.247 1 0 KIAFRO CC[C@H]1C[NH+]2CC[C@H]1C[C@H]2[C@H](O)c1cc(N2CCC[C@@H](C(=O)N(CC)CC)C2)nc2ccc(OC)cc21 ZINC000095221840 562753725 /nfs/dbraw/zinc/75/37/25/562753725.db2.gz QMZGDVAXLZVROR-JYTPFOOISA-N 1 0 508.707 4.482 1 0 KIAFRO CC[C@@]12C[C@H]3C[NH+](C1)CCc1c4ccccc4[nH]c1[C@@](C(=O)OC)(c1cc4c(cc1OC)N(C)[C@@H]1[C@]45CC[NH+]4CC=C[C@](CC)([C@H]45)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)[C@@H]3O2 ZINC000095535648 562753728 /nfs/dbraw/zinc/75/37/28/562753728.db2.gz KMWVJRBQGMUMID-YFEYGGLVSA-N 1 0 808.973 4.007 1 0 KIAFRO COCOc1ccc(C(OC[C@H](O)CNCC[NH2+]C[C@@H](O)COC(c2ccc(OCOC)cc2)c2ccc(OCOC)cc2)c2ccc(OCOC)cc2)cc1 ZINC000095535718 562753788 /nfs/dbraw/zinc/75/37/88/562753788.db2.gz XABOEOVFRCSVNR-LQFQNGICSA-N 1 0 780.912 4.431 1 0 KIAFRO Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCC(=O)NCC[NH+]1CCCCC1)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C ZINC000095539878 562755354 /nfs/dbraw/zinc/75/53/54/562755354.db2.gz UWPKEOPKNJLLPO-NINLVYDZSA-N 1 0 766.018 4.299 1 0 KIAFRO O=C(NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095539989 562755446 /nfs/dbraw/zinc/75/54/46/562755446.db2.gz JXZAFCOUVYXIBI-KKYULSIISA-N 1 0 704.916 4.194 1 0 KIAFRO C=C(Br)C(=O)Nc1ccc2oc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCC(N)=[NH2+])n(C)c5)n(C)c4)n(C)c3)cc2c1 ZINC000095540151 562755529 /nfs/dbraw/zinc/75/55/29/562755529.db2.gz CAZHDRTWFZEQGG-UHFFFAOYSA-N 1 0 745.595 4.108 1 0 KIAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)NCC=Cc2cccnc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2CC(=O)O[C@@]21C ZINC000095540270 562755616 /nfs/dbraw/zinc/75/56/16/562755616.db2.gz CUJZRXGKQQEFFL-MOOAOQOZSA-N 1 0 757.922 4.121 1 0 KIAFRO O[C@@H](Cn1cnc2c1ncnc2NCc1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000095540338 562755656 /nfs/dbraw/zinc/75/56/56/562755656.db2.gz SPZQTVRWUVXKKX-MUUNZHRXSA-N 1 0 533.680 4.207 1 0 KIAFRO O[C@H](Cn1cnc2c1ncnc2NCc1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000095540339 562755669 /nfs/dbraw/zinc/75/56/69/562755669.db2.gz SPZQTVRWUVXKKX-NDEPHWFRSA-N 1 0 533.680 4.207 1 0 KIAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCc3cccc(O)c3)C(=O)O[C@@]21C ZINC000095541483 562756140 /nfs/dbraw/zinc/75/61/40/562756140.db2.gz DREXHKBAINLFDA-TYQAEWFASA-N 1 0 717.901 4.342 1 0 KIAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000095541547 562756179 /nfs/dbraw/zinc/75/61/79/562756179.db2.gz PVWVVQOAMWWNAR-ZEJCGMDASA-N 1 0 740.935 4.355 1 0 KIAFRO CC[C@H]1OC(=O)[C@@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)NC=Cc2ccccc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095541638 562756241 /nfs/dbraw/zinc/75/62/41/562756241.db2.gz HLCRZICBYHIWSG-ZHNBRDNASA-N 1 0 743.895 4.229 1 0 KIAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)NC=Cc2ccccc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095541639 562756231 /nfs/dbraw/zinc/75/62/31/562756231.db2.gz HLCRZICBYHIWSG-GXHJPZCQSA-N 1 0 743.895 4.229 1 0 KIAFRO CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@H](Cc2ccc(NC(N)=[NH2+])cc2)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)OCc2ccccc2)cc1 ZINC000095541667 562756264 /nfs/dbraw/zinc/75/62/64/562756264.db2.gz HYEXCVYTGASYJN-YPFMGQEJSA-N 1 0 816.809 4.037 1 0 KIAFRO CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)[C@@H](Cc2ccc(NC(N)=[NH2+])cc2)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)OCc2ccccc2)cc1 ZINC000095541668 562756255 /nfs/dbraw/zinc/75/62/55/562756255.db2.gz HYEXCVYTGASYJN-OIRWKNFCSA-N 1 0 816.809 4.037 1 0 KIAFRO CC(C)(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000095542443 562756766 /nfs/dbraw/zinc/75/67/66/562756766.db2.gz VTYJGRZRRYNPAL-VQJPNMBPSA-N 1 0 793.966 4.027 1 0 KIAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OCC=Cc2ccc3[nH]cnc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095542543 562756799 /nfs/dbraw/zinc/75/67/99/562756799.db2.gz JULVZCFXXOHLSI-PPOYOMKVSA-N 1 0 754.922 4.438 1 0 KIAFRO CC[C@H]1OC(=O)[C@@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)Nc2ccccc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095542939 562756936 /nfs/dbraw/zinc/75/69/36/562756936.db2.gz AXFZTOCKDPTSIA-YEWILOSMSA-N 1 0 717.857 4.080 1 0 KIAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)Nc2ccccc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095542940 562756972 /nfs/dbraw/zinc/75/69/72/562756972.db2.gz AXFZTOCKDPTSIA-PYOUUZIMSA-N 1 0 717.857 4.080 1 0 KIAFRO COc1ccc([C@H](OC[C@H](O)C[NH2+]CCNC[C@@H](O)COC(c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1O ZINC000095543409 562757241 /nfs/dbraw/zinc/75/72/41/562757241.db2.gz RWKJSPDLOSRJHE-VEFCPFGPSA-N 1 0 766.885 4.266 1 0 KIAFRO COc1ccc([C@@H](OC[C@H](O)C[NH2+]CCNC[C@@H](O)COC(c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1O ZINC000095543410 562757214 /nfs/dbraw/zinc/75/72/14/562757214.db2.gz RWKJSPDLOSRJHE-KTTQJHDCSA-N 1 0 766.885 4.266 1 0 KIAFRO CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000095543520 562757360 /nfs/dbraw/zinc/75/73/60/562757360.db2.gz RXTVQIZDVTYZLH-DLMOMKDTSA-N 1 0 752.740 4.130 1 0 KIAFRO COCOc1ccc(C(OC[C@@H](O)CNCC[NH2+]C[C@H](O)COC(c2ccc(OCOC)cc2)c2ccc(OCOC)cc2)c2ccc(OCOC)cc2)cc1 ZINC000095543527 562757327 /nfs/dbraw/zinc/75/73/27/562757327.db2.gz XABOEOVFRCSVNR-ZPGRZCPFSA-N 1 0 780.912 4.431 1 0 KIAFRO NC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)[C@H]2C[NH2+]C[C@@H]2N(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 ZINC000095543867 562757502 /nfs/dbraw/zinc/75/75/02/562757502.db2.gz QVMBQAVVCRRZFT-KYJUHHDHSA-N 1 0 783.773 4.344 1 0 in-vitro KIAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)[C@H](OC(=O)O2)[C@H](C)[C@H]2OC(=O)O[C@@]21C ZINC000095545502 562758125 /nfs/dbraw/zinc/75/81/25/562758125.db2.gz WYAPTWVYGYIEHX-RDVBADOLSA-N 1 0 748.867 4.205 1 0 KIAFRO CCCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(N(C(=O)CC)c2ccccc2)CC1 ZINC000095547375 562758710 /nfs/dbraw/zinc/75/87/10/562758710.db2.gz QOTSIQBGDAQKCQ-QOEXFKEZSA-N 1 0 775.391 4.485 1 0 KIAFRO CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)CC1 ZINC000095547378 562758691 /nfs/dbraw/zinc/75/86/91/562758691.db2.gz BLZCMPIPJYNCCB-YZBUDRBASA-N 1 0 804.964 4.249 1 0 KIAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCSc3nncs3)C(=O)O[C@@]21C ZINC000095547775 562758861 /nfs/dbraw/zinc/75/88/61/562758861.db2.gz XTUSFVFSCCHJDP-UCINZNMXSA-N 1 0 771.012 4.224 1 0 KIAFRO COc1ccccc1C1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000095549167 562759772 /nfs/dbraw/zinc/75/97/72/562759772.db2.gz BVQMJJWVIWSXBH-SANMLTNESA-N 1 0 751.894 4.087 1 0 KIAFRO COc1ccccc1C1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)c3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000095549168 562759781 /nfs/dbraw/zinc/75/97/81/562759781.db2.gz BVQMJJWVIWSXBH-AREMUKBSSA-N 1 0 751.894 4.087 1 0 KIAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC/C=C/c2ccc(Cl)cc2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000095549235 562759830 /nfs/dbraw/zinc/75/98/30/562759830.db2.gz HGTPLXYRBDXXQG-OVVYXUJZSA-N 1 0 724.332 4.460 1 0 KIAFRO COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1CCCN1C2=O ZINC000095550446 562760173 /nfs/dbraw/zinc/76/01/73/562760173.db2.gz XXZBXMCALOWXBV-NDEPHWFRSA-N 1 0 782.903 4.015 1 0 KIAFRO O=C(N[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH2+]CC1)C1(c2ccc(Cl)cc2Cl)CC1 ZINC000095552481 562760698 /nfs/dbraw/zinc/76/06/98/562760698.db2.gz RIJSQWHSYPOPOZ-FQEVSTJZSA-N 1 0 515.268 4.491 1 0 KIAFRO CC(C)[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccccc2)[C@H](O)[C@@H]1O ZINC000095553362 562760950 /nfs/dbraw/zinc/76/09/50/562760950.db2.gz CKMLVERJYCAQQK-DWCTZGTLSA-N 1 0 630.794 4.277 1 0 KIAFRO C[NH+](C)[C@@H]1CCN(CC(=O)N[C@@]2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)C1 ZINC000095554381 562761237 /nfs/dbraw/zinc/76/12/37/562761237.db2.gz KVYFVPXNWDGTIS-JLCFBVMHSA-N 1 0 516.256 4.248 1 0 KIAFRO C[NH+](C)[C@@H]1CCN(CC(=O)N[C@]2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)C1 ZINC000095554382 562761195 /nfs/dbraw/zinc/76/11/95/562761195.db2.gz KVYFVPXNWDGTIS-PEBXRYMYSA-N 1 0 516.256 4.248 1 0 KIAFRO C[NH+](C)[C@H]1CCN(CC(=O)N[C@@]2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)C1 ZINC000095554411 562761319 /nfs/dbraw/zinc/76/13/19/562761319.db2.gz KVYFVPXNWDGTIS-RCDICMHDSA-N 1 0 516.256 4.248 1 0 KIAFRO C[NH+](C)[C@H]1CCN(CC(=O)N[C@]2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)C1 ZINC000095554412 562761284 /nfs/dbraw/zinc/76/12/84/562761284.db2.gz KVYFVPXNWDGTIS-FPTDNZKUSA-N 1 0 516.256 4.248 1 0 KIAFRO COc1cc(/C=C/C(=O)NCCNc2c3ccccc3[nH+]c3c2CCCC3)ccc1OCCCO[N+](=O)[O-] ZINC000095554499 562761261 /nfs/dbraw/zinc/76/12/61/562761261.db2.gz UNHZVFVBIVAPKU-WYMLVPIESA-N 1 0 520.586 4.341 1 0 KIAFRO O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000095554755 562761392 /nfs/dbraw/zinc/76/13/92/562761392.db2.gz NQTXEWZDVUMZDO-UHFFFAOYSA-N 1 0 501.418 4.322 1 0 KIAFRO CONC(=O)N(Cc1ccsc1)C1CC[NH+]([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 ZINC000095555349 562761482 /nfs/dbraw/zinc/76/14/82/562761482.db2.gz AOXSXQRGGNJIMQ-QGZVFWFLSA-N 1 0 508.088 4.159 1 0 KIAFRO CO[C@H](C)C(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095555665 562761615 /nfs/dbraw/zinc/76/16/15/562761615.db2.gz HOUVRJZAHGVNPN-UAZYKBCHSA-N 1 0 527.681 4.269 1 0 KIAFRO CCc1nc2ccccc2n1-c1nc2cc(C[NH+]3CCC(C(C)(C)O)CC3)sc2c(N2CCOCC2)n1 ZINC000095556413 562761757 /nfs/dbraw/zinc/76/17/57/562761757.db2.gz RUHKZUQCHSCKRS-UHFFFAOYSA-N 1 0 520.703 4.412 1 0 KIAFRO COc1cc(/C=C/C(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)ccc1OCCO[N+](=O)[O-] ZINC000095557566 562762123 /nfs/dbraw/zinc/76/21/23/562762123.db2.gz KQWCLBFRMLZCNA-WYMLVPIESA-N 1 0 520.586 4.341 1 0 KIAFRO C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5ccc(-c6ccsc6)nn54)c3n2)CC1 ZINC000095558750 562762524 /nfs/dbraw/zinc/76/25/24/562762524.db2.gz JXHUDKPVHFBGGG-UHFFFAOYSA-N 1 0 525.564 4.179 1 0 KIAFRO COCC1=C(C(=O)OCCF)[C@@H](c2ccc(F)c(F)c2)N(C(=O)NCCC[NH+]2CCC(c3cccc(NC(C)=O)c3)CC2)C(=O)N1 ZINC000095558834 562762527 /nfs/dbraw/zinc/76/25/27/562762527.db2.gz JBULIQRYPAVIHH-GDLZYMKVSA-N 1 0 645.679 4.382 1 0 KIAFRO COCC1=C(C(=O)OCCF)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCC[NH+]2CCC(c3cccc(NC(C)=O)c3)CC2)C(=O)N1 ZINC000095558835 562762556 /nfs/dbraw/zinc/76/25/56/562762556.db2.gz JBULIQRYPAVIHH-LJAQVGFWSA-N 1 0 645.679 4.382 1 0 KIAFRO [NH3+][C@@H](CC(=O)NC1(c2nc(-c3ccc(Cl)cc3)cs2)CCS(=O)(=O)CC1)Cc1cc(F)c(F)cc1F ZINC000095558957 562762566 /nfs/dbraw/zinc/76/25/66/562762566.db2.gz IYQMGDNPAJQZDV-QGZVFWFLSA-N 1 0 558.047 4.361 1 0 KIAFRO C[C@@H]1C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2[C@H](O)[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46CC[C@]3(C)[C@H]21)CC[C@H](O[C@H]1C[NH2+]CCO1)C5(C)C ZINC000095559095 562762649 /nfs/dbraw/zinc/76/26/49/562762649.db2.gz UNODLJJYDQRZDI-CMAQQLIKSA-N 1 0 575.831 4.263 1 0 KIAFRO C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5ccc(-c6cccs6)nn54)c3n2)CC1 ZINC000095559618 562762820 /nfs/dbraw/zinc/76/28/20/562762820.db2.gz UOGJGFQTRIZZMD-UHFFFAOYSA-N 1 0 525.564 4.179 1 0 KIAFRO C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5ccc(-c6cccc(F)c6)nn54)c3n2)CC1 ZINC000095559696 562762818 /nfs/dbraw/zinc/76/28/18/562762818.db2.gz ITUKFAVUAOEAKI-UHFFFAOYSA-N 1 0 537.525 4.256 1 0 KIAFRO C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)CCCN2CCOCC2)nc2ccccc21 ZINC000095559845 562762892 /nfs/dbraw/zinc/76/28/92/562762892.db2.gz CBMDYJWQXKBORJ-UHFFFAOYSA-N 1 0 511.070 4.365 1 0 KIAFRO C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5ccc(-c6ccc(F)cc6)nn54)c3n2)CC1 ZINC000095560793 562763164 /nfs/dbraw/zinc/76/31/64/562763164.db2.gz WVWSWKUFDDJZQL-UHFFFAOYSA-N 1 0 537.525 4.256 1 0 KIAFRO CCC(C)C1NC(=O)C([NH2+]CC(O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)Oc2ccc(cc2)CC(C(=O)OC)NC1=O ZINC000095560894 562763179 /nfs/dbraw/zinc/76/31/79/562763179.db2.gz RXMINEMCFPIGKS-UCDZOKANSA-N 1 0 716.876 4.221 1 0 KIAFRO C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5ccc(-c6ccccc6)nn54)c3n2)CC1 ZINC000095562042 562763613 /nfs/dbraw/zinc/76/36/13/562763613.db2.gz BRRVWGRMIMBOOF-UHFFFAOYSA-N 1 0 519.535 4.117 1 0 KIAFRO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC[N@@H+]3CCC[C@H](O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000095562141 562763584 /nfs/dbraw/zinc/76/35/84/562763584.db2.gz NHMUHBVXSXVYIM-OZXSUGGESA-N 1 0 567.727 4.292 1 0 KIAFRO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC[N@@H+]3CCC[C@@H](O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000095562142 562763575 /nfs/dbraw/zinc/76/35/75/562763575.db2.gz NHMUHBVXSXVYIM-BVAGGSTKSA-N 1 0 567.727 4.292 1 0 KIAFRO CC(C)C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1cccnc1 ZINC000095562185 562763625 /nfs/dbraw/zinc/76/36/25/562763625.db2.gz CDNIJGHQQWHBDO-WMTXJRDZSA-N 1 0 512.098 4.044 1 0 KIAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)O3)cc1 ZINC000095564528 562764372 /nfs/dbraw/zinc/76/43/72/562764372.db2.gz RUSJUTNVQBZBMA-JWUQWVJQSA-N 1 0 587.783 4.157 1 0 KIAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095565249 562764592 /nfs/dbraw/zinc/76/45/92/562764592.db2.gz CQUNCRURMLNMRB-SBZVUBOMSA-N 1 0 593.769 4.358 1 0 KIAFRO COc1ccc(C[N@H+](C)C[C@@H]2Oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095565615 562764630 /nfs/dbraw/zinc/76/46/30/562764630.db2.gz TZMVARYQISQZLJ-WOGZVKCMSA-N 1 0 616.180 4.430 1 0 KIAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O ZINC000095566135 562764797 /nfs/dbraw/zinc/76/47/97/562764797.db2.gz YCMQTTLPFMFYTR-JDNLVSNKSA-N 1 0 613.759 4.151 1 0 KIAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095566393 562764977 /nfs/dbraw/zinc/76/49/77/562764977.db2.gz CQUNCRURMLNMRB-QFWOEDSFSA-N 1 0 593.769 4.358 1 0 KIAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O ZINC000095566587 562765072 /nfs/dbraw/zinc/76/50/72/562765072.db2.gz YCMQTTLPFMFYTR-MEYXWREJSA-N 1 0 613.759 4.151 1 0 KIAFRO COc1ccc(C[N@H+](C)C[C@H]2Oc3ccc(NC(=O)C4CCCCC4)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095566611 562765116 /nfs/dbraw/zinc/76/51/16/562765116.db2.gz WTLJZIYWGIRRST-ZTNZZFSWSA-N 1 0 551.728 4.495 1 0 KIAFRO COc1ccc(C[N@H+](C)C[C@@H]2Oc3ccc(NC(=O)Cc4ccccc4)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095566617 562765164 /nfs/dbraw/zinc/76/51/64/562765164.db2.gz FCJPELNAJUOLHS-MKGJDZFWSA-N 1 0 559.707 4.157 1 0 KIAFRO Cc1cc(C(=O)Nc2cccc3c2O[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@H](C)CN([C@H](C)CO)C3=O)n(C)n1 ZINC000095567128 562765550 /nfs/dbraw/zinc/76/55/50/562765550.db2.gz KFJWXWMGNBHOHQ-IZVNREOLSA-N 1 0 653.784 4.167 1 0 KIAFRO COc1ccc(C[N@H+](C)C[C@H]2Oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095567151 562765541 /nfs/dbraw/zinc/76/55/41/562765541.db2.gz TZMVARYQISQZLJ-NPKFRGRUSA-N 1 0 616.180 4.430 1 0 KIAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095567297 562765712 /nfs/dbraw/zinc/76/57/12/562765712.db2.gz MVTKQSXBOABTSJ-QLVXXPONSA-N 1 0 586.154 4.422 1 0 KIAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095567403 562765762 /nfs/dbraw/zinc/76/57/62/562765762.db2.gz BBXSEZIVNBOEOC-FONBTEPMSA-N 1 0 560.651 4.411 1 0 KIAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000095567410 562765824 /nfs/dbraw/zinc/76/58/24/562765824.db2.gz MGKVSAZSRLMOTM-IABYTQIASA-N 1 0 599.732 4.222 1 0 KIAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O ZINC000095567464 562765786 /nfs/dbraw/zinc/76/57/86/562765786.db2.gz VAUKKURHXVQXPV-LZJCXSABSA-N 1 0 547.618 4.335 1 0 KIAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095567504 562765889 /nfs/dbraw/zinc/76/58/89/562765889.db2.gz WHPNVWBFVYVCKA-FONBTEPMSA-N 1 0 566.699 4.222 1 0 KIAFRO COc1ccc(C[N@H+](C)C[C@H]2Oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095567881 562766112 /nfs/dbraw/zinc/76/61/12/562766112.db2.gz TZMVARYQISQZLJ-MWXNICTNSA-N 1 0 616.180 4.430 1 0 KIAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(C)(=O)=O)cc2CC1=O ZINC000095568057 562766276 /nfs/dbraw/zinc/76/62/76/562766276.db2.gz XYJNBNRQTGEDGH-IQLGONJTSA-N 1 0 565.736 4.006 1 0 KIAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095568106 562766345 /nfs/dbraw/zinc/76/63/45/562766345.db2.gz CQUNCRURMLNMRB-SGQNLQFHSA-N 1 0 593.769 4.358 1 0 KIAFRO CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)O2 ZINC000095568256 562766422 /nfs/dbraw/zinc/76/64/22/562766422.db2.gz NGECZVDIDJEQHJ-XNSHOJTPSA-N 1 0 630.790 4.332 1 0 KIAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)O3)cc1 ZINC000095568445 562766614 /nfs/dbraw/zinc/76/66/14/562766614.db2.gz GJKCSPBKUOKTDG-ZLRJYYBNSA-N 1 0 565.736 4.077 1 0 KIAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568525 562766657 /nfs/dbraw/zinc/76/66/57/562766657.db2.gz MVTKQSXBOABTSJ-SYZUXVNWSA-N 1 0 586.154 4.422 1 0 KIAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095569265 562767359 /nfs/dbraw/zinc/76/73/59/562767359.db2.gz MDIKSXLUHBOMET-MWXNICTNSA-N 1 0 565.711 4.215 1 0 KIAFRO Cc1cc(C(=O)Nc2cccc3c2O[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)n(C)n1 ZINC000095569462 562767437 /nfs/dbraw/zinc/76/74/37/562767437.db2.gz KFJWXWMGNBHOHQ-BNPXQZISSA-N 1 0 653.784 4.167 1 0 KIAFRO CC(C)NC(=O)Nc1cccc2c1O[C@H](C[N@H+](C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)[C@H](C)CN([C@@H](C)CO)C2=O ZINC000095569786 562767656 /nfs/dbraw/zinc/76/76/56/562767656.db2.gz FRANJNQGVHQOSC-DUELTEGESA-N 1 0 616.763 4.403 1 0 KIAFRO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2)O3)cc1 ZINC000095569804 562767734 /nfs/dbraw/zinc/76/77/34/562767734.db2.gz GJKCSPBKUOKTDG-QEGDFHJFSA-N 1 0 565.736 4.077 1 0 KIAFRO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@H]([NH2+]Cc3cn(C)c4ccccc34)CN1C1Cc3ccccc3C1)CC2 ZINC000095570016 562767860 /nfs/dbraw/zinc/76/78/60/562767860.db2.gz WHZDDDIGFHSYGF-IUDBTDONSA-N 1 0 564.730 4.480 1 0 KIAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095570095 562767917 /nfs/dbraw/zinc/76/79/17/562767917.db2.gz STVZAKYNRUDYOR-SWYRRKHMSA-N 1 0 508.663 4.066 1 0 KIAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O ZINC000095570153 562767947 /nfs/dbraw/zinc/76/79/47/562767947.db2.gz YCMQTTLPFMFYTR-YBBGPBPVSA-N 1 0 613.759 4.151 1 0 KIAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[NH+](C)C)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570191 562768033 /nfs/dbraw/zinc/76/80/33/562768033.db2.gz FYIHDXUZGQBQSQ-MRUHUIDDSA-N 1 0 508.541 4.131 1 0 KIAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570634 562768370 /nfs/dbraw/zinc/76/83/70/562768370.db2.gz LKBCQLBSESIVFD-JAOJVIEDSA-N 1 0 630.163 4.151 1 0 KIAFRO O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)C[N@H+]2CCC(F)(F)F)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095570899 562768607 /nfs/dbraw/zinc/76/86/07/562768607.db2.gz HZAABOSBDYXUMN-HVHOJJEHSA-N 1 0 522.564 4.047 1 0 KIAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095571095 562768786 /nfs/dbraw/zinc/76/87/86/562768786.db2.gz STVZAKYNRUDYOR-ISJBWFOZSA-N 1 0 508.663 4.066 1 0 KIAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)CC2CC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571344 562768994 /nfs/dbraw/zinc/76/89/94/562768994.db2.gz CQUNCRURMLNMRB-AFKLWXAFSA-N 1 0 593.769 4.358 1 0 KIAFRO CO[C@]12CC[C@@]3(C[C@@H]1NC(=O)/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000095571609 562769160 /nfs/dbraw/zinc/76/91/60/562769160.db2.gz MKPRSYPYTIHVPA-LLGIIEGRSA-N 1 0 512.650 4.199 1 0 KIAFRO COCC(=O)N[C@@H](Cc1cccc(-c2ncco2)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095571610 562769165 /nfs/dbraw/zinc/76/91/65/562769165.db2.gz ZSKDOJWDZUSTHX-GMQQYTKMSA-N 1 0 562.711 4.396 1 0 KIAFRO CC(=O)N[C@@H](Cc1ccc(F)cc1F)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095572524 562769437 /nfs/dbraw/zinc/76/94/37/562769437.db2.gz AAHFBZODUHKGBC-CCDWMCETSA-N 1 0 501.618 4.393 1 0 KIAFRO [NH3+]CCCNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000095573220 562769644 /nfs/dbraw/zinc/76/96/44/562769644.db2.gz XOTCJGHQJDBEEH-UHFFFAOYSA-N 1 0 505.834 4.374 1 0 KIAFRO CC(C)Oc1cccc(C[N@@H+]2CC[C@]3(CN(c4ncccn4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000095573344 562769670 /nfs/dbraw/zinc/76/96/70/562769670.db2.gz CPNYKYVZIZDRFM-KDYSTLNUSA-N 1 0 525.650 4.398 1 0 KIAFRO C[C@@H](F)C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095573477 562769703 /nfs/dbraw/zinc/76/97/03/562769703.db2.gz KCMGCUJYXNVZQQ-IBURTVSXSA-N 1 0 541.664 4.181 1 0 KIAFRO O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000095573822 562769788 /nfs/dbraw/zinc/76/97/88/562769788.db2.gz DXTWZKQUXJCHAK-UHFFFAOYSA-N 1 0 505.688 4.428 1 0 KIAFRO CC(C)c1ccc(NC(=O)c2cccc(-c3nn([C@@H]4CCCN(C(=O)/C=C/CO)C4)c4ncnc(N)c34)c2)cc1 ZINC000095573864 562769776 /nfs/dbraw/zinc/76/97/76/562769776.db2.gz ACRZEZPOWOUNHF-ZHMUPQBKSA-N 1 0 539.640 4.163 1 0 KIAFRO CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000095573967 562769854 /nfs/dbraw/zinc/76/98/54/562769854.db2.gz VUBGOJHJGFQVIC-VEDZNKNSSA-N 1 0 526.677 4.446 1 0 KIAFRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(F)c(-n4cc(-c5cnc6n[nH]cc6c5)nn4)c3)cc2C(F)(F)F)CC1 ZINC000095574061 562769878 /nfs/dbraw/zinc/76/98/78/562769878.db2.gz SRUDWIBMRKZRQG-UHFFFAOYSA-N 1 0 579.562 4.363 1 0 KIAFRO COc1cc(C[C@H](NC(C)=O)[C@H](O)C[NH2+][C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)ccc1F ZINC000095574267 562769910 /nfs/dbraw/zinc/76/99/10/562769910.db2.gz DTZPIFYDDLMENC-CCDWMCETSA-N 1 0 513.654 4.262 1 0 KIAFRO CCNc1ncc(-c2cn(-c3cc(C(=O)Nc4ccc(CN5CC[NH+](C)CC5)c(C(F)(F)F)c4)ccc3C)nn2)cn1 ZINC000095574543 562770034 /nfs/dbraw/zinc/77/00/34/562770034.db2.gz KJOGLHQXZFOMRY-UHFFFAOYSA-N 1 0 579.631 4.483 1 0 KIAFRO COCC(=O)N[C@@H](Cc1cccc(-c2nccn2C)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095574612 562770028 /nfs/dbraw/zinc/77/00/28/562770028.db2.gz OWSUWCSVFOZIGR-HZFUHODCSA-N 1 0 575.754 4.141 1 0 KIAFRO COc1ccccc1-c1ccc2cnc(Nc3ccc(C4CCN(C(=O)[C@@H]5CC[NH2+]5)CC4)cc3OC)nn21 ZINC000095574957 562770144 /nfs/dbraw/zinc/77/01/44/562770144.db2.gz MNUHUBSGVGOPGM-DEOSSOPVSA-N 1 0 512.614 4.225 1 0 KIAFRO COc1ccccc1-c1ccc2cnc(Nc3ccc(C4CCN(C(=O)[C@H]5CC[NH2+]5)CC4)cc3OC)nn21 ZINC000095574958 562770143 /nfs/dbraw/zinc/77/01/43/562770143.db2.gz MNUHUBSGVGOPGM-XMMPIXPASA-N 1 0 512.614 4.225 1 0 KIAFRO CNc1ncc(-c2cn(-c3cc(C(=O)Nc4ccc(CN5CC[NH+](C)CC5)c(C(F)(F)F)c4)ccc3C)nn2)cn1 ZINC000095575052 562770192 /nfs/dbraw/zinc/77/01/92/562770192.db2.gz LFLRMYZNGFXKMP-UHFFFAOYSA-N 1 0 565.604 4.093 1 0 KIAFRO COc1ccc(C[C@H](NC(C)=O)[C@H](O)C[NH2+][C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)cc1OC ZINC000095575178 562770271 /nfs/dbraw/zinc/77/02/71/562770271.db2.gz UVODFPUSJFFSKE-CCDWMCETSA-N 1 0 525.690 4.132 1 0 KIAFRO COc1cc(C2CC[NH+](C[C@@H](C)O)CC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 ZINC000095575602 562770374 /nfs/dbraw/zinc/77/03/74/562770374.db2.gz ROGKAFOTXRPAFP-HXUWFJFHSA-N 1 0 564.712 4.105 1 0 KIAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3ncccn23)nn1 ZINC000095575665 562770399 /nfs/dbraw/zinc/77/03/99/562770399.db2.gz HXVYZZYPRMCJGZ-UHFFFAOYSA-N 1 0 575.599 4.304 1 0 KIAFRO CC(C)C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095576469 562770650 /nfs/dbraw/zinc/77/06/50/562770650.db2.gz NJCPSTDAZOLOFF-CCDWMCETSA-N 1 0 537.701 4.479 1 0 KIAFRO CC(C)(C)Cc1cnc2c(c1)[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccc3c(c1)OCO3)NC(=O)[C@@H]1CCCO1)CC1(CCC1)O2 ZINC000095577035 562770857 /nfs/dbraw/zinc/77/08/57/562770857.db2.gz GYFMZUJFUIFICF-CLPFNFTISA-N 1 0 565.711 4.002 1 0 KIAFRO COc1cc(C2CC[NH2+]CC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 ZINC000095577301 562770888 /nfs/dbraw/zinc/77/08/88/562770888.db2.gz FXEXWMOKUBELTG-UHFFFAOYSA-N 1 0 506.632 4.011 1 0 KIAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn3cccnc23)nn1 ZINC000095577564 562771053 /nfs/dbraw/zinc/77/10/53/562771053.db2.gz KGUOPPORYLAEOV-UHFFFAOYSA-N 1 0 575.599 4.304 1 0 KIAFRO CC(C)c1ccc(NC(=O)c2cccc(-c3nn([C@@H]4CCCN(C(=O)/C=C/CN5CC[NH2+]CC5)C4)c4ncnc(N)c34)c2)cc1 ZINC000095577637 562771040 /nfs/dbraw/zinc/77/10/40/562771040.db2.gz LPJKMUHMDOACCC-LZABFTAWSA-N 1 0 607.763 4.076 1 0 KIAFRO CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095577754 562771059 /nfs/dbraw/zinc/77/10/59/562771059.db2.gz KVLZAJQNNNTHPD-CCDWMCETSA-N 1 0 501.618 4.393 1 0 KIAFRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(-n4cc(-c5cnc6n[nH]cc6c5)nn4)c3)cc2C(F)(F)F)CC1 ZINC000095577925 562771133 /nfs/dbraw/zinc/77/11/33/562771133.db2.gz QZGWWTNGPOKJGC-UHFFFAOYSA-N 1 0 561.572 4.224 1 0 KIAFRO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]2C[N@H+](CCO)C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000095579088 562771423 /nfs/dbraw/zinc/77/14/23/562771423.db2.gz SGKCFBSHEIOVRA-XPYDGVJRSA-N 1 0 505.018 4.221 1 0 KIAFRO C[NH2+]C/C=C/C(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)c3c2ncnc3N)C1 ZINC000095579357 562771541 /nfs/dbraw/zinc/77/15/41/562771541.db2.gz PQYJWNQBPIODIS-VIDGFWFCSA-N 1 0 552.683 4.390 1 0 KIAFRO CNC(=O)C[NH+]1CCC(c2ccc(Nc3ncc4ccc(-c5ccccc5OC)n4n3)c(OC)c2)CC1 ZINC000095579552 562771572 /nfs/dbraw/zinc/77/15/72/562771572.db2.gz FAUWHVUDSIQEKF-UHFFFAOYSA-N 1 0 500.603 4.083 1 0 KIAFRO CC[C@H]([NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NCC(C)C ZINC000095579612 562771612 /nfs/dbraw/zinc/77/16/12/562771612.db2.gz GPJMPGWBMWJZEY-HFYAYSLXSA-N 1 0 649.858 4.055 1 0 KIAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1-n1cc(-c2cnc3cccnn32)nn1 ZINC000095580303 562771792 /nfs/dbraw/zinc/77/17/92/562771792.db2.gz XKCPEVHEMILVAL-UHFFFAOYSA-N 1 0 575.599 4.304 1 0 KIAFRO COc1ccc(C[C@H](NC(C)=O)[C@H](O)C[NH2+][C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)cc1F ZINC000095580547 562771881 /nfs/dbraw/zinc/77/18/81/562771881.db2.gz RSABACCPSRMLRM-CCDWMCETSA-N 1 0 513.654 4.262 1 0 KIAFRO C[NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O ZINC000095580596 562771871 /nfs/dbraw/zinc/77/18/71/562771871.db2.gz IUJKXMIDCSUDHI-NNHILTQISA-N 1 0 676.862 4.327 1 0 KIAFRO CN(C)CC(C[NH+](C)C)NC(=O)COc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000095582296 562772508 /nfs/dbraw/zinc/77/25/08/562772508.db2.gz ABXPSNYVYCIKKV-UHFFFAOYSA-N 1 0 589.553 4.054 1 0 KIAFRO COCCCCC1(CNC(=O)[C@H]2C[NH2+]C[C@@H](NS(=O)(=O)c3ccc(C)cc3)C2)c2ccccc2Oc2ccccc21 ZINC000095582753 562772691 /nfs/dbraw/zinc/77/26/91/562772691.db2.gz LBPUIWQYAGTBDC-RPBOFIJWSA-N 1 0 577.747 4.276 1 0 KIAFRO Cc1nc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)NCc2cccc(Oc3ccccc3)c2)nn1-c1ccc(Cl)cc1 ZINC000095584233 562773181 /nfs/dbraw/zinc/77/31/81/562773181.db2.gz UWETWBRHQBJKDJ-KYJUHHDHSA-N 1 0 688.233 4.230 1 0 KIAFRO COCCCCC1(CNC(=O)[C@@H]2C[NH2+]C[C@H](NS(=O)(=O)c3ccc(C)cc3)C2)c2ccccc2Oc2ccccc21 ZINC000095584308 562773201 /nfs/dbraw/zinc/77/32/01/562773201.db2.gz LBPUIWQYAGTBDC-LOSJGSFVSA-N 1 0 577.747 4.276 1 0 in-vitro KIAFRO Cc1nc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)NCc2cc(Oc3ccc(Cl)cc3)ccn2)nn1-c1ccc(Cl)cc1 ZINC000095585118 562773495 /nfs/dbraw/zinc/77/34/95/562773495.db2.gz QAYRNLSMECGJNB-VMPREFPWSA-N 1 0 723.666 4.279 1 0 KIAFRO COc1ccc(C2=NN(CCCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)C(=O)[C@H]3CCCC[C@H]23)cc1OC ZINC000095587281 562774252 /nfs/dbraw/zinc/77/42/52/562774252.db2.gz MQZFVRQZYSHTGJ-KLJDGLGGSA-N 1 0 553.700 4.138 1 0 KIAFRO COc1ccc(C2=NN(CCCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC ZINC000095587282 562774242 /nfs/dbraw/zinc/77/42/42/562774242.db2.gz MQZFVRQZYSHTGJ-WEWMWRJBSA-N 1 0 553.700 4.138 1 0 KIAFRO COc1ccc(C2=NN(CCCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC ZINC000095587283 562774232 /nfs/dbraw/zinc/77/42/32/562774232.db2.gz MQZFVRQZYSHTGJ-OBDYRVMHSA-N 1 0 553.700 4.138 1 0 KIAFRO COc1ccc(C2=NN(CCCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000095587284 562774281 /nfs/dbraw/zinc/77/42/81/562774281.db2.gz MQZFVRQZYSHTGJ-SLQPCKNISA-N 1 0 553.700 4.138 1 0 KIAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2Cc3ccccc3C2)c1 ZINC000095588187 562774534 /nfs/dbraw/zinc/77/45/34/562774534.db2.gz XTABCTLROJIRLG-IOWSJCHKSA-N 1 0 527.709 4.408 1 0 KIAFRO COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCCC[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000095588346 562774633 /nfs/dbraw/zinc/77/46/33/562774633.db2.gz IYKHGFKULXXVLL-QFIPXVFZSA-N 1 0 550.439 4.329 1 0 KIAFRO COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCCCC[NH2+]C[C@@H](O)c1ccc(O)c(CO)c1 ZINC000095588347 562774665 /nfs/dbraw/zinc/77/46/65/562774665.db2.gz IYKHGFKULXXVLL-JOCHJYFZSA-N 1 0 550.439 4.329 1 0 KIAFRO CNC(=O)/C=C/[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)[NH2+]Cc1cccc(C)c1 ZINC000095588739 562774745 /nfs/dbraw/zinc/77/47/45/562774745.db2.gz AHBDPSICYWFOMI-YAVBXPEMSA-N 1 0 556.707 4.190 1 0 KIAFRO O=C(N[C@H](Cc1cc2oc(=O)[nH]c2c(Cl)c1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000095589120 562774865 /nfs/dbraw/zinc/77/48/65/562774865.db2.gz IGMSWNYDGFNYAI-MUUNZHRXSA-N 1 0 664.207 4.384 1 0 KIAFRO CO[C@@H]1COCC[C@@H]1[NH2+]C1CCN(C(=O)c2nc(C(F)(F)F)nc(N3CCc4cc(C(F)(F)F)ccc4C3)c2C)CC1 ZINC000095589359 562774923 /nfs/dbraw/zinc/77/49/23/562774923.db2.gz HKIFMAJLMSGIOP-FCHUYYIVSA-N 1 0 601.592 4.383 1 0 KIAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000095589716 562775061 /nfs/dbraw/zinc/77/50/61/562775061.db2.gz NIXNBFQIWAAYNO-JHOUSYSJSA-N 1 0 570.778 4.469 1 0 KIAFRO O=C(N[C@H](Cc1cc2oc(=O)[nH]c2cc1Cl)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000095590230 562775206 /nfs/dbraw/zinc/77/52/06/562775206.db2.gz RUIONSFUCOPZLD-GDLZYMKVSA-N 1 0 664.207 4.384 1 0 KIAFRO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCc2ccccc2)c1 ZINC000095590506 562775291 /nfs/dbraw/zinc/77/52/91/562775291.db2.gz KGLCCUHZKQBCSF-XZWHSSHBSA-N 1 0 515.698 4.483 1 0 KIAFRO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCC(=O)NCC[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000095591845 562775782 /nfs/dbraw/zinc/77/57/82/562775782.db2.gz FFHRMSGTKYEMTH-MDHXRGRUSA-N 1 0 838.060 4.477 1 0 KIAFRO O=C(N[C@H](Cc1cc2oc(=O)[nH]c2cc1Br)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000095591896 562775745 /nfs/dbraw/zinc/77/57/45/562775745.db2.gz WSIDSJAOLGDFPK-GDLZYMKVSA-N 1 0 708.658 4.493 1 0 KIAFRO CO[C@@H]1COCC[C@@H]1[NH2+]C1CCN(C(=O)c2nc(CF)nc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 ZINC000095592479 562775937 /nfs/dbraw/zinc/77/59/37/562775937.db2.gz DECZUBPHXAXNSH-VQTJNVASSA-N 1 0 526.440 4.303 1 0 KIAFRO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCN4CC[NH2+]CC4)c(C)c3oc2=O)ccc1O ZINC000095593929 562776349 /nfs/dbraw/zinc/77/63/49/562776349.db2.gz DXDVPVWJCWABQO-UHFFFAOYSA-N 1 0 505.615 4.242 1 0 KIAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095594223 562776411 /nfs/dbraw/zinc/77/64/11/562776411.db2.gz DVAMLNLIEXHHFO-CGBUYWLTSA-N 1 0 535.529 4.116 1 0 KIAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095594224 562776421 /nfs/dbraw/zinc/77/64/21/562776421.db2.gz DVAMLNLIEXHHFO-AYGUSPFUSA-N 1 0 535.529 4.116 1 0 KIAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095594225 562776425 /nfs/dbraw/zinc/77/64/25/562776425.db2.gz DVAMLNLIEXHHFO-JKDRSXEXSA-N 1 0 535.529 4.116 1 0 KIAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095594226 562776408 /nfs/dbraw/zinc/77/64/08/562776408.db2.gz DVAMLNLIEXHHFO-RPUKCDMRSA-N 1 0 535.529 4.116 1 0 KIAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095595565 562776759 /nfs/dbraw/zinc/77/67/59/562776759.db2.gz DVAMLNLIEXHHFO-DXVYWRAPSA-N 1 0 535.529 4.116 1 0 KIAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 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CCCNC(=O)N1CC2(CC[NH+](Cc3cccc(OC)c3)CC2)c2c3ccc(OC)cc3n(C)c2[C@@H]1CO ZINC000095796655 562789180 /nfs/dbraw/zinc/78/91/80/562789180.db2.gz WBAIGTCWGWFEBK-SANMLTNESA-N 1 0 520.674 4.198 1 0 KIAFRO CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2OC[C@@H](C)[NH2+]C[C@@H]1C ZINC000095796762 562789177 /nfs/dbraw/zinc/78/91/77/562789177.db2.gz MVEMEVSVGCIXIX-WJONJSRFSA-N 1 0 508.541 4.443 1 0 KIAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccccc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095822107 562789214 /nfs/dbraw/zinc/78/92/14/562789214.db2.gz MVTKQSXBOABTSJ-IHMCZWCLSA-N 1 0 586.154 4.422 1 0 KIAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095833817 562789386 /nfs/dbraw/zinc/78/93/86/562789386.db2.gz GICWHENSWCRTTD-HHJKRLRDSA-N 1 0 571.600 4.100 1 0 KIAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095834270 562789366 /nfs/dbraw/zinc/78/93/66/562789366.db2.gz QMJDGTKOTWCVIL-ICYRDHFCSA-N 1 0 618.687 4.069 1 0 KIAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[NH+](C)C)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095846049 562789428 /nfs/dbraw/zinc/78/94/28/562789428.db2.gz GOBHPVUGCFRQAG-SOLZYKTISA-N 1 0 596.190 4.498 1 0 KIAFRO C[C@H](CO)N1C[C@H](C)[C@H](C[NH+](C)C)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095847003 562789507 /nfs/dbraw/zinc/78/95/07/562789507.db2.gz GOBHPVUGCFRQAG-WBJWTPEXSA-N 1 0 596.190 4.498 1 0 KIAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[NH+](C)C)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095847439 562789526 /nfs/dbraw/zinc/78/95/26/562789526.db2.gz FYIHDXUZGQBQSQ-CKJXQJPGSA-N 1 0 508.541 4.131 1 0 KIAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[NH+](C)C)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095847764 562789517 /nfs/dbraw/zinc/78/95/17/562789517.db2.gz GOBHPVUGCFRQAG-BUUPBASBSA-N 1 0 596.190 4.498 1 0 KIAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[NH+](C)C)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095848596 562789505 /nfs/dbraw/zinc/78/95/05/562789505.db2.gz FYIHDXUZGQBQSQ-GCKMJXCFSA-N 1 0 508.541 4.131 1 0 KIAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[NH+](C)C)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095848960 562789471 /nfs/dbraw/zinc/78/94/71/562789471.db2.gz GOBHPVUGCFRQAG-WENLUUPESA-N 1 0 596.190 4.498 1 0 KIAFRO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc4c(c2)OCO4)O3)cc1 ZINC000095860844 562789714 /nfs/dbraw/zinc/78/97/14/562789714.db2.gz NGRSXEMLDRQNMH-LPBFERMMSA-N 1 0 590.677 4.420 1 0 KIAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095860995 562789717 /nfs/dbraw/zinc/78/97/17/562789717.db2.gz DAPIBIRMBOQELH-RZIGYZOXSA-N 1 0 543.730 4.220 1 0 KIAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095861957 562789709 /nfs/dbraw/zinc/78/97/09/562789709.db2.gz NHCHRXXZNQAEEO-PKIAKLFDSA-N 1 0 569.706 4.107 1 0 KIAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095862690 562789725 /nfs/dbraw/zinc/78/97/25/562789725.db2.gz JVQYZDSRPVTFBX-CURJATOHSA-N 1 0 612.727 4.440 1 0 KIAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2cccnc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095867064 562789810 /nfs/dbraw/zinc/78/98/10/562789810.db2.gz OSTHSAGIWICZAX-LXWUCCHHSA-N 1 0 521.683 4.153 1 0 KIAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2cccnc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095867065 562789814 /nfs/dbraw/zinc/78/98/14/562789814.db2.gz OSTHSAGIWICZAX-SVMAPBHASA-N 1 0 521.683 4.153 1 0 KIAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2cccnc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095867120 562789838 /nfs/dbraw/zinc/78/98/38/562789838.db2.gz OSTHSAGIWICZAX-BAVKSQHJSA-N 1 0 521.683 4.153 1 0 KIAFRO COc1ccc2c(c1)[nH]c1c2C2(CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)CN(C(C)=O)[C@@H]1CO ZINC000095867569 562789866 /nfs/dbraw/zinc/78/98/66/562789866.db2.gz AIQMCLHSJXWCQX-RUZDIDTESA-N 1 0 500.599 4.261 1 0 KIAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2cccc(Cl)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872124 562789993 /nfs/dbraw/zinc/78/99/93/562789993.db2.gz LAIWUFPMTOEBCI-CUVVAGTFSA-N 1 0 537.060 4.339 1 0 KIAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(F)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872132 562790025 /nfs/dbraw/zinc/79/00/25/562790025.db2.gz OZLYOJKABVXQBS-LZJCXSABSA-N 1 0 555.050 4.479 1 0 KIAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872133 562790017 /nfs/dbraw/zinc/79/00/17/562790017.db2.gz XQAILBCYUHKEJK-CUVVAGTFSA-N 1 0 537.060 4.339 1 0 KIAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(F)c(Cl)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872140 562790052 /nfs/dbraw/zinc/79/00/52/562790052.db2.gz FHSMAZGGDUQKIX-LZJCXSABSA-N 1 0 555.050 4.479 1 0 KIAFRO C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@H](Cc2ccccc2)[NH+](C)C)OCc2ccccc2-c2ccccc2C1=O ZINC000095872611 562790079 /nfs/dbraw/zinc/79/00/79/562790079.db2.gz ZQFGNRPCSITOFH-PKVSMLHLSA-N 1 0 557.735 4.343 1 0 KIAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095873109 562790173 /nfs/dbraw/zinc/79/01/73/562790173.db2.gz XQAILBCYUHKEJK-GOHWNWGWSA-N 1 0 537.060 4.339 1 0 KIAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2cccc(Cl)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095873110 562790167 /nfs/dbraw/zinc/79/01/67/562790167.db2.gz LAIWUFPMTOEBCI-GOHWNWGWSA-N 1 0 537.060 4.339 1 0 KIAFRO COc1ccc(-c2ccc([C@H]3[C@@H]4CN(C(=O)c5ccc6c(c5)OCO6)CCCC[N@H+]4[C@@H]3CO)cc2)cc1 ZINC000095875550 562790138 /nfs/dbraw/zinc/79/01/38/562790138.db2.gz UFXRSNFCWVZUQM-HFASVGIHSA-N 1 0 500.595 4.156 1 0 KIAFRO O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)C[N@H+]2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCN(c2ccccc2)CC1 ZINC000095886583 562790192 /nfs/dbraw/zinc/79/01/92/562790192.db2.gz WFSMXLKWCXLDNK-PHTQWASBSA-N 1 0 571.718 4.327 1 0 KIAFRO O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)C[N@H+]2Cc2ccc3c(c2)OCO3)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095887809 562790218 /nfs/dbraw/zinc/79/02/18/562790218.db2.gz OJBHRHOQEWVARJ-HOSLJWMQSA-N 1 0 530.621 4.220 1 0 KIAFRO CC[N@@H+]1C[C@]2(COC)CC[C@H](OC)[C@]34[C@@H]5C[C@H]6[C@@H](OC(=O)c7ccc(OC)cc7)[C@@H]5C(=C[C@H](O[C@@H]13)[C@@]42C)C[C@@H]6OC ZINC000095912645 560056942 /nfs/dbraw/zinc/05/69/42/560056942.db2.gz ZBENOCZNGHUTDE-CZLPTSMCSA-N 1 0 567.723 4.326 1 0 biogenic,in-vitro KIAFRO C/C=C1/C[N@@H+]2[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]2C[C@@H]1[C@@H]3[C@H]5OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000095914786 560055457 /nfs/dbraw/zinc/05/54/57/560055457.db2.gz JHWXXJLDNKFDNH-OGWDYSPGSA-N 1 0 502.611 4.047 1 0 biogenic,in-vitro KIAFRO COc1ccc(C(=O)O[C@@H]2[C@]34CC[C@@H](C[C@@H]3[C@@]35CCC[C@@]6(C)C[N@H+](C)[C@@H]3[C@@H]4C[C@@H]56)[C@@]2(O)COC(C)=O)cc1OC ZINC000095919343 560054497 /nfs/dbraw/zinc/05/44/97/560054497.db2.gz KTVHQYRUFIKEDO-SHOATMGESA-N 1 0 553.696 4.080 1 0 biogenic,in-vitro KIAFRO CC(C)(c1ccc(-c2ccncc2)o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000096142896 562790447 /nfs/dbraw/zinc/79/04/47/562790447.db2.gz DYYJWDSYFDXNOW-FLOLVYIHSA-N 1 0 749.831 4.462 1 0 KIAFRO COc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nc2cc1C ZINC000096167757 562790526 /nfs/dbraw/zinc/79/05/26/562790526.db2.gz LGISPMKZMDGBKV-UHFFFAOYSA-N 1 0 518.643 4.127 1 0 KIAFRO CC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nc21 ZINC000096167764 562790573 /nfs/dbraw/zinc/79/05/73/562790573.db2.gz KGYCQGOAGCBPEB-UHFFFAOYSA-N 1 0 559.696 4.385 1 0 KIAFRO CC(=O)Nc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1-c1ccccc1C ZINC000096167766 562790590 /nfs/dbraw/zinc/79/05/90/562790590.db2.gz RLKABAVHZMJBLB-UHFFFAOYSA-N 1 0 545.669 4.076 1 0 KIAFRO Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1-c1cc(O)ccc1Cl ZINC000096167787 562790599 /nfs/dbraw/zinc/79/05/99/562790599.db2.gz XSYZCQDIHCJKAQ-UHFFFAOYSA-N 1 0 539.061 4.477 1 0 KIAFRO Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)NCC[NH+]4CCCC4)nc3)nc12 ZINC000096167799 562790556 /nfs/dbraw/zinc/79/05/56/562790556.db2.gz TYDOWTQIFPWZBI-UHFFFAOYSA-N 1 0 503.994 4.323 1 0 KIAFRO C[NH+]1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(C(F)(F)F)cn4n3)c2)CC1 ZINC000096169625 562790731 /nfs/dbraw/zinc/79/07/31/562790731.db2.gz VQEDQSYDHUDMQM-UHFFFAOYSA-N 1 0 530.576 4.314 1 0 KIAFRO C[NH+]1CCN(c2ccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(C(F)(F)F)cn4n3)cc2)CC1 ZINC000096169626 562790707 /nfs/dbraw/zinc/79/07/07/562790707.db2.gz ODYFWUZVFJUGQF-UHFFFAOYSA-N 1 0 530.576 4.314 1 0 KIAFRO CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc5c(c4)CC[C@H]([NH+]4CCOCC4)CC5)nc23)cc1 ZINC000096169667 562790734 /nfs/dbraw/zinc/79/07/34/562790734.db2.gz QHFHNVUOAPKMLZ-XMMPIXPASA-N 1 0 517.655 4.123 1 0 KIAFRO CN(c1ccccc1CNc1cccn2nc(Nc3ccc(C4CC[NH+](C)CC4)cc3)nc12)S(C)(=O)=O ZINC000096169671 562790750 /nfs/dbraw/zinc/79/07/50/562790750.db2.gz YSCOHZQEVPHJEF-UHFFFAOYSA-N 1 0 519.675 4.290 1 0 KIAFRO CN(Cc1ccccc1CNc1cccn2nc(Nc3ccc(C4CC[NH+](C)CC4)cc3)nc12)S(C)(=O)=O ZINC000096169681 562790751 /nfs/dbraw/zinc/79/07/51/562790751.db2.gz AFVFWHRSGJNOFX-UHFFFAOYSA-N 1 0 533.702 4.286 1 0 KIAFRO CN(Cc1ccccc1Nc1cccn2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12)S(C)(=O)=O ZINC000096169695 562790794 /nfs/dbraw/zinc/79/07/94/562790794.db2.gz ITLQJJUECDTTJJ-UHFFFAOYSA-N 1 0 535.674 4.083 1 0 KIAFRO CN(Cc1ccccc1Nc1cccn2nc(Nc3ccc(C4CC[NH+](C)CC4)cc3)nc12)S(C)(=O)=O ZINC000096169696 562790788 /nfs/dbraw/zinc/79/07/88/562790788.db2.gz PQMQIOLFJSAPGI-UHFFFAOYSA-N 1 0 519.675 4.417 1 0 KIAFRO CN(Cc1cccc(-c2cccn3nc(Nc4ccc(OCC[NH+]5CCCC5)cc4)nc23)c1)S(C)(=O)=O ZINC000096169699 562790768 /nfs/dbraw/zinc/79/07/68/562790768.db2.gz YCKHWUPMSDZLDQ-UHFFFAOYSA-N 1 0 520.659 4.006 1 0 KIAFRO CN(Cc1cccc(-c2cccn3nc(Nc4ccc(C5CC[NH+](C)CC5)cc4)nc23)c1)S(C)(=O)=O ZINC000096169700 562790791 /nfs/dbraw/zinc/79/07/91/562790791.db2.gz HBWXPYGLVGQEFC-UHFFFAOYSA-N 1 0 504.660 4.341 1 0 KIAFRO CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cccc(N5CC[NH+](CCCF)CC5)c4)nc23)cc1 ZINC000096169708 562790798 /nfs/dbraw/zinc/79/07/98/562790798.db2.gz XNGWQWVRZWNYJA-UHFFFAOYSA-N 1 0 508.623 4.025 1 0 KIAFRO CN(c1ccccc1CNc1cccn2nc(Nc3ccc4c(c3)CC[C@H]([NH+]3CCOCC3)CC4)nc12)S(C)(=O)=O ZINC000096169719 562790848 /nfs/dbraw/zinc/79/08/48/562790848.db2.gz DZJALNXETIVWPB-AREMUKBSSA-N 1 0 575.739 4.060 1 0 KIAFRO COc1cc(Cl)ccc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@@H+](CC(=O)N(C)C)CC4)nc12 ZINC000096169828 562790882 /nfs/dbraw/zinc/79/08/82/562790882.db2.gz DETXVHJTMOFKKV-UHFFFAOYSA-N 1 0 505.022 4.291 1 0 KIAFRO COc1cccc(-c2cccn3nc(Nc4ccc(C5CC[NH+](CC(=O)N(C)C)CC5)cc4)nc23)c1OC ZINC000096169856 562790870 /nfs/dbraw/zinc/79/08/70/562790870.db2.gz DZUZGGJWSCEUDT-UHFFFAOYSA-N 1 0 514.630 4.425 1 0 KIAFRO CN(C)C(=O)C[N@@H+]1CCc2ccc(Nc3nc4c(-c5ccccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169868 562790879 /nfs/dbraw/zinc/79/08/79/562790879.db2.gz LHEMKQCKNIDFCO-UHFFFAOYSA-N 1 0 520.584 4.273 1 0 KIAFRO CN(C)C(=O)C[N@@H+]1CCc2ccc(Nc3nc4c(-c5cc(F)ccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169878 562790898 /nfs/dbraw/zinc/79/08/98/562790898.db2.gz URVSLNBYVORMOC-UHFFFAOYSA-N 1 0 538.574 4.412 1 0 KIAFRO C[NH+](C)C1CCN(c2ccc(C(=O)NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)cn2)CC1 ZINC000096170167 562791046 /nfs/dbraw/zinc/79/10/46/562791046.db2.gz NVDLLJLDSDNYEP-UHFFFAOYSA-N 1 0 516.045 4.500 1 0 KIAFRO C[N@@H+]1CCCN(c2ccc(C(=O)NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)cn2)CC1 ZINC000096170174 562791042 /nfs/dbraw/zinc/79/10/42/562791042.db2.gz OVSGUAZNSVNFFG-UHFFFAOYSA-N 1 0 502.018 4.111 1 0 KIAFRO COCC[NH+](C/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1)CCOC ZINC000096172257 562791299 /nfs/dbraw/zinc/79/12/99/562791299.db2.gz FVHRXNQLQCFNOX-ONEGZZNKSA-N 1 0 534.057 4.263 1 0 KIAFRO CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CC[NH+]2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 ZINC000096173233 562791358 /nfs/dbraw/zinc/79/13/58/562791358.db2.gz FZYKNROIARRSKB-JPYHZWLXSA-N 1 0 504.115 4.337 1 0 KIAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(OC)cc(OC)c4F)c4nccnc34)nc2)CC1 ZINC000096173412 562791379 /nfs/dbraw/zinc/79/13/79/562791379.db2.gz OUZAQQOIFAMSJW-UHFFFAOYSA-N 1 0 530.604 4.238 1 0 KIAFRO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CC[NH+](CCO)CC4)cn3)c3nccnc23)c1Cl ZINC000096173416 562791387 /nfs/dbraw/zinc/79/13/87/562791387.db2.gz FQUCQZSJALKUTA-UHFFFAOYSA-N 1 0 597.503 4.378 1 0 KIAFRO COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC=O)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000096173889 562791598 /nfs/dbraw/zinc/79/15/98/562791598.db2.gz DEQOTWGMVLLXTM-FIRIVFDPSA-N 1 0 618.742 4.465 1 0 KIAFRO O=S(=O)(NC1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)C1CC1 ZINC000096174082 562791639 /nfs/dbraw/zinc/79/16/39/562791639.db2.gz GBXFQCYPAMPFHO-UHFFFAOYSA-N 1 0 527.654 4.100 1 0 KIAFRO C[C@H](O)C(=O)N(C[C@@H]1C[NH2+]C[C@@H]1F)[C@@H](c1nc(-c2cc(F)ccc2F)nn1Cc1ccccc1)C(C)(C)C ZINC000096174214 562791802 /nfs/dbraw/zinc/79/18/02/562791802.db2.gz DPWFPLHTMSSYKU-NZUPQLOKSA-N 1 0 529.607 4.126 1 0 KIAFRO C[C@H](O)C(=O)N(C[C@@H]1C[NH2+]C[C@@H]1F)[C@@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)C(C)(C)C ZINC000096174217 562791780 /nfs/dbraw/zinc/79/17/80/562791780.db2.gz OSIGMKFSZPQTOV-KVOAMPFWSA-N 1 0 547.597 4.265 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2ccc(N3CC[NH+](C)CC3)nc21 ZINC000096175722 562791925 /nfs/dbraw/zinc/79/19/25/562791925.db2.gz JSIACTMGWSNYFX-UHFFFAOYSA-N 1 0 500.607 4.366 1 0 KIAFRO COCC[NH+]1CCN(c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4C)c3n2)CC1 ZINC000096175723 562791916 /nfs/dbraw/zinc/79/19/16/562791916.db2.gz ZJNWHPUASPOUFY-UHFFFAOYSA-N 1 0 544.660 4.383 1 0 KIAFRO CCOc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCC(CCCC(=O)NC)CC3)c2)cc1 ZINC000096175785 562791952 /nfs/dbraw/zinc/79/19/52/562791952.db2.gz XXQHDBAWRGBXGY-HKBQPEDESA-N 1 0 633.815 4.081 1 0 KIAFRO CCc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCC(CCCC(=O)NC)CC3)c2)cc1 ZINC000096175786 562792031 /nfs/dbraw/zinc/79/20/31/562792031.db2.gz CGNCDGWBKGYOAP-HKBQPEDESA-N 1 0 617.816 4.245 1 0 KIAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CN(C(=O)[C@@H]3CCC[N@@H+]3C)C1)C2 ZINC000096177901 562792445 /nfs/dbraw/zinc/79/24/45/562792445.db2.gz LSNNXCASBUIHMF-VWLOTQADSA-N 1 0 654.193 4.069 1 0 KIAFRO C[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258157 562792795 /nfs/dbraw/zinc/79/27/95/562792795.db2.gz QYZPJQGYXMFQPG-CQSZACIVSA-N 1 0 520.392 4.360 1 0 KIAFRO CC(C)[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(F)cc1F ZINC000096270492 562793228 /nfs/dbraw/zinc/79/32/28/562793228.db2.gz JBHCRIUYMONBCX-XZOYJPPVSA-N 1 0 537.051 4.035 1 0 KIAFRO CC(C)[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000096270493 562793240 /nfs/dbraw/zinc/79/32/40/562793240.db2.gz VBROUQXNVNKODH-OEOAZWSVSA-N 1 0 537.051 4.035 1 0 KIAFRO Cc1nc(Nc2cc(-c3ccc(CNC(=O)Nc4cccc(Cl)c4)cc3)[nH]n2)cc(N2CC[NH2+]CC2)n1 ZINC000096270642 562793251 /nfs/dbraw/zinc/79/32/51/562793251.db2.gz PLOGBNQOJBYSRB-UHFFFAOYSA-N 1 0 518.025 4.303 1 0 KIAFRO C[NH+]1CCN(Cc2ccc(C(=O)Nc3cc(-c4ccc(CNC(=O)Nc5ccccc5)cc4)[nH]n3)cc2)CC1 ZINC000096270654 562793332 /nfs/dbraw/zinc/79/33/32/562793332.db2.gz RPUVCLOEZQLZPD-UHFFFAOYSA-N 1 0 523.641 4.398 1 0 KIAFRO Cc1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(N5CC[NH+](C)CC5)cc4)n[nH]3)cc2C)no1 ZINC000096270662 562793297 /nfs/dbraw/zinc/79/32/97/562793297.db2.gz MZOIOQHNRFBXRZ-UHFFFAOYSA-N 1 0 514.590 4.330 1 0 KIAFRO Cc1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(N5CC[NH+](C)CC5)cc4)n[nH]3)cc2)no1 ZINC000096270664 562793281 /nfs/dbraw/zinc/79/32/81/562793281.db2.gz LTGMTZWRANBXGI-UHFFFAOYSA-N 1 0 500.563 4.021 1 0 KIAFRO Cc1cnc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(N5CC[NH+](C)CC5)cc4)n[nH]3)cc2)s1 ZINC000096270665 562793288 /nfs/dbraw/zinc/79/32/88/562793288.db2.gz DGTDBYGGVLUJOO-UHFFFAOYSA-N 1 0 516.631 4.490 1 0 KIAFRO O=C(Nc1c[nH]c2ncc(-c3c(F)cccc3F)cc12)c1cnn2ccc(NC[C@H]3CC[NH2+]C[C@@H]3F)nc12 ZINC000096270690 562793317 /nfs/dbraw/zinc/79/33/17/562793317.db2.gz TWIFKBILIHXMMI-VLIAUNLRSA-N 1 0 520.519 4.163 1 0 KIAFRO O=C(Nc1c[nH]c2ncc(-c3ccccc3F)cc12)c1cnn2ccc(NC[C@H]3CC[NH2+]C[C@@H]3F)nc12 ZINC000096270691 562793330 /nfs/dbraw/zinc/79/33/30/562793330.db2.gz BEXSRDRFSVXXPU-VFNWGFHPSA-N 1 0 502.529 4.024 1 0 in-vitro KIAFRO O=C(Nc1c[nH]c2ncc(-c3c(F)cccc3F)cc12)c1cnn2ccc(OCC3CC[NH2+]CC3)nc12 ZINC000096270698 562793280 /nfs/dbraw/zinc/79/32/80/562793280.db2.gz TWPUKPNAJWOXOF-UHFFFAOYSA-N 1 0 503.513 4.182 1 0 KIAFRO O=C(Nc1c[nH]c2ccc(-c3c(F)cccc3F)nc12)c1cnn2ccc(NCC3CC[NH2+]CC3)nc12 ZINC000096270700 562793279 /nfs/dbraw/zinc/79/32/79/562793279.db2.gz YHYRJMSQKKPUGL-UHFFFAOYSA-N 1 0 502.529 4.215 1 0 KIAFRO O=C(Nc1c[nH]c2ncc(-c3c(F)cccc3F)cc12)c1cnn2ccc(NCC3CC[NH2+]CC3)nc12 ZINC000096270702 562793290 /nfs/dbraw/zinc/79/32/90/562793290.db2.gz VKNMCBUJJJKJQM-UHFFFAOYSA-N 1 0 502.529 4.215 1 0 KIAFRO CCCC[C@]1(CC)CS(=O)(=O)c2cc(C[NH2+][C@@H](CCCC[NH3+])C(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270837 562793374 /nfs/dbraw/zinc/79/33/74/562793374.db2.gz GWSGZIPWKGHORQ-WIDNXDAUSA-N 1 0 545.746 4.172 1 0 KIAFRO Cc1nc(-c2cc(Cl)ccn2)nc(NC[C@H](NC(=O)CCCN2CC[NH2+]CC2)c2ccccc2)c1Cl ZINC000096271223 562793714 /nfs/dbraw/zinc/79/37/14/562793714.db2.gz PCLZMEQSUVVPLZ-QFIPXVFZSA-N 1 0 528.488 4.109 1 0 KIAFRO Cc1nc(-c2ccc(N3CCCC3)cn2)nc(NC[C@H](NC(=O)CCCN2CC[NH2+]CC2)c2ccccc2)c1Cl ZINC000096271225 562793740 /nfs/dbraw/zinc/79/37/40/562793740.db2.gz ZNMJIFZLXAVFEM-SANMLTNESA-N 1 0 563.150 4.055 1 0 KIAFRO Cc1nc(-c2ccc(Br)cn2)nc(NC[C@H](NC(=O)CCCN2CC[NH2+]CC2)c2ccccc2)c1Cl ZINC000096271228 562793728 /nfs/dbraw/zinc/79/37/28/562793728.db2.gz LQYXBGTXPLGZCE-QFIPXVFZSA-N 1 0 572.939 4.218 1 0 KIAFRO Cc1nc(-c2ccc(Cl)cn2)nc(NC[C@H](NC(=O)CCCN2CC[NH2+]CC2)c2ccccc2)c1Cl ZINC000096271229 562793736 /nfs/dbraw/zinc/79/37/36/562793736.db2.gz JGXOZNCHCVPPRF-QFIPXVFZSA-N 1 0 528.488 4.109 1 0 KIAFRO Cc1nc(-c2ncccc2Cl)nc(NC[C@H](NC(=O)CCCN2CC[NH2+]CC2)c2ccccc2)c1Cl ZINC000096271232 562793780 /nfs/dbraw/zinc/79/37/80/562793780.db2.gz IQBKUUJAQQSHJY-NRFANRHFSA-N 1 0 528.488 4.109 1 0 KIAFRO Cc1nc(-c2cccc(Cl)n2)nc(NC[C@H](NC(=O)CCCN2CC[NH2+]CC2)c2ccccc2)c1Cl ZINC000096271234 562793760 /nfs/dbraw/zinc/79/37/60/562793760.db2.gz QWODNELMNXBHBK-NRFANRHFSA-N 1 0 528.488 4.109 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(Cl)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C ZINC000096271646 562793855 /nfs/dbraw/zinc/79/38/55/562793855.db2.gz AEWBIFRPDTZPLO-UHFFFAOYSA-N 1 0 578.064 4.067 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H]1CC(C)(C)Oc2ccc(OC(F)(F)F)cc21 ZINC000096282249 562794688 /nfs/dbraw/zinc/79/46/88/562794688.db2.gz SDSJRGFOKOIIEZ-PCCBWWKXSA-N 1 0 502.480 4.164 1 0 KIAFRO COC[C@@]1(C)C[C@H]([NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 ZINC000096282255 562794647 /nfs/dbraw/zinc/79/46/47/562794647.db2.gz IMCAMSICSFMGPT-QPPCPWFDSA-N 1 0 518.645 4.480 1 0 KIAFRO CC(C)[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21 ZINC000096282603 562794694 /nfs/dbraw/zinc/79/46/94/562794694.db2.gz VFERXZCIWTVZIB-SEVLPDGMSA-N 1 0 503.631 4.024 1 0 KIAFRO S=C1N=C2C(=Cc3ccc(Cl)cc3)C[N@H+](CCN3CCOCC3)CC2[C@@H](c2ccc(Cl)cc2)N1 ZINC000096282906 562794713 /nfs/dbraw/zinc/79/47/13/562794713.db2.gz FRRTUQOUHUKIRG-NAENUDGNSA-N 1 0 515.510 4.498 1 0 KIAFRO S=C1N=C2C(=Cc3ccc(Cl)cc3)C[N@H+](CCN3CCOCC3)CC2[C@H](c2ccc(Cl)cc2)N1 ZINC000096282907 562794729 /nfs/dbraw/zinc/79/47/29/562794729.db2.gz FRRTUQOUHUKIRG-ATOQVSERSA-N 1 0 515.510 4.498 1 0 KIAFRO CC(C)C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccccn1 ZINC000096283056 562794799 /nfs/dbraw/zinc/79/47/99/562794799.db2.gz DOPWMPRIRWTOOD-YZUZCNPQSA-N 1 0 512.098 4.044 1 0 KIAFRO CC(C)C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1cncc(F)c1 ZINC000096283061 562794776 /nfs/dbraw/zinc/79/47/76/562794776.db2.gz HQBDJWJDMKKWJP-BGWNEDDSSA-N 1 0 530.088 4.183 1 0 KIAFRO CC(C)C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccc(F)cn1 ZINC000096283062 562794762 /nfs/dbraw/zinc/79/47/62/562794762.db2.gz ARAQVWPNKFJBQQ-XZDHIHRUSA-N 1 0 530.088 4.183 1 0 KIAFRO CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccc(F)cc1 ZINC000096283065 562794764 /nfs/dbraw/zinc/79/47/64/562794764.db2.gz DIYNMGLMCBQYIN-XKCSPQBFSA-N 1 0 501.046 4.152 1 0 KIAFRO CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1cccc(F)c1 ZINC000096283066 562794750 /nfs/dbraw/zinc/79/47/50/562794750.db2.gz ZJTUIPGXPDJATD-XKCSPQBFSA-N 1 0 501.046 4.152 1 0 KIAFRO CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccccc1F ZINC000096283067 562794768 /nfs/dbraw/zinc/79/47/68/562794768.db2.gz RMTLXCHQKBJUIA-YCRNBWNJSA-N 1 0 501.046 4.152 1 0 KIAFRO Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CC[NH2+]C3)cc2c[nH]nc21 ZINC000096284735 562795294 /nfs/dbraw/zinc/79/52/94/562795294.db2.gz STJBKZREPWJSHQ-MHZLTWQESA-N 1 0 551.651 4.313 1 0 KIAFRO Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CC[NH2+]C3)cc2c[nH]nc21 ZINC000096284736 562795316 /nfs/dbraw/zinc/79/53/16/562795316.db2.gz STJBKZREPWJSHQ-HHHXNRCGSA-N 1 0 551.651 4.313 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC(F)F)ccc3ccccc32)c2ccccc2OC12CCOCC2 ZINC000096285025 562795392 /nfs/dbraw/zinc/79/53/92/562795392.db2.gz GKZPMFPKQMBXTM-AVRWGWEMSA-N 1 0 539.579 4.009 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc32)c2ccccc2OC12CCOCC2 ZINC000096285027 562795386 /nfs/dbraw/zinc/79/53/86/562795386.db2.gz VUTQKGLPLFESJM-HFJWLAOPSA-N 1 0 582.495 4.178 1 0 KIAFRO C[NH2+][C@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285032 562795412 /nfs/dbraw/zinc/79/54/12/562795412.db2.gz PVSLHWGWLULYNF-ZHRRBRCNSA-N 1 0 510.432 4.183 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285033 562795415 /nfs/dbraw/zinc/79/54/15/562795415.db2.gz PVSLHWGWLULYNF-AOMKIAJQSA-N 1 0 510.432 4.183 1 0 KIAFRO Nc1cc(C[NH+]2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(-c5ccc(F)c(F)c5)c4=O)CC3)CC2)ccn1 ZINC000096285289 562795448 /nfs/dbraw/zinc/79/54/48/562795448.db2.gz OKCJFCOBXGHPBV-UHFFFAOYSA-N 1 0 564.612 4.262 1 0 KIAFRO Nc1cc(C[NH+]2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(C5CCCC5)c4=O)CC3)CC2)ccn1 ZINC000096285291 562795450 /nfs/dbraw/zinc/79/54/50/562795450.db2.gz HYUUZONCAYJTHP-UHFFFAOYSA-N 1 0 520.653 4.110 1 0 KIAFRO Nc1cc(C[NH+]2CCC(C(=O)N3CCC(n4c5ccccc5n(CCCC(F)(F)F)c4=O)CC3)CC2)ccn1 ZINC000096285302 562795472 /nfs/dbraw/zinc/79/54/72/562795472.db2.gz JVNKPOHWBICHOM-UHFFFAOYSA-N 1 0 544.622 4.198 1 0 KIAFRO Nc1cc(C[NH+]2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(Cc5ccccc5)c4=O)CC3)CC2)ccn1 ZINC000096285305 562795452 /nfs/dbraw/zinc/79/54/52/562795452.db2.gz YQKOTNLRNQDUTM-UHFFFAOYSA-N 1 0 542.659 4.043 1 0 KIAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccnc2)CC1 ZINC000096285417 562795668 /nfs/dbraw/zinc/79/56/68/562795668.db2.gz NAECBSHMFGJZKH-ZBLYBZFDSA-N 1 0 533.721 4.273 1 0 KIAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccnc2)CC1 ZINC000096285418 562795662 /nfs/dbraw/zinc/79/56/62/562795662.db2.gz NAECBSHMFGJZKH-IDISGSTGSA-N 1 0 533.721 4.273 1 0 KIAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccnc2)CC1 ZINC000096285419 562795672 /nfs/dbraw/zinc/79/56/72/562795672.db2.gz NAECBSHMFGJZKH-JIPXPUAJSA-N 1 0 533.721 4.273 1 0 KIAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccnc2)CC1 ZINC000096285420 562795644 /nfs/dbraw/zinc/79/56/44/562795644.db2.gz NAECBSHMFGJZKH-KDYSTLNUSA-N 1 0 533.721 4.273 1 0 KIAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccn2)CC1 ZINC000096285427 562795658 /nfs/dbraw/zinc/79/56/58/562795658.db2.gz OROUXHYXSXXTGC-ZBLYBZFDSA-N 1 0 533.721 4.273 1 0 KIAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccn2)CC1 ZINC000096285428 562795690 /nfs/dbraw/zinc/79/56/90/562795690.db2.gz OROUXHYXSXXTGC-IDISGSTGSA-N 1 0 533.721 4.273 1 0 KIAFRO Cc1ncnc(C)c1C(=O)NCC[C@@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccn2)CC1 ZINC000096285429 562795708 /nfs/dbraw/zinc/79/57/08/562795708.db2.gz OROUXHYXSXXTGC-JIPXPUAJSA-N 1 0 533.721 4.273 1 0 KIAFRO Cc1ncnc(C)c1C(=O)NCC[C@H](C)[NH+]1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccn2)CC1 ZINC000096285430 562795692 /nfs/dbraw/zinc/79/56/92/562795692.db2.gz OROUXHYXSXXTGC-KDYSTLNUSA-N 1 0 533.721 4.273 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2c(C)ccc3ccccc32)C1=O ZINC000096285504 562795796 /nfs/dbraw/zinc/79/57/96/562795796.db2.gz YJFRQTOILXCRIK-OFVILXPXSA-N 1 0 500.643 4.167 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N([C@@H](C)c2cccc3ccccc32)C1=O ZINC000096285505 562795818 /nfs/dbraw/zinc/79/58/18/562795818.db2.gz DUYGVDDNRZRAPH-WATLYSKOSA-N 1 0 500.643 4.419 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N([C@H](C)c2cccc3ccccc32)C1=O ZINC000096285506 562795771 /nfs/dbraw/zinc/79/57/71/562795771.db2.gz DUYGVDDNRZRAPH-BKSPAHHJSA-N 1 0 500.643 4.419 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285526 562795810 /nfs/dbraw/zinc/79/58/10/562795810.db2.gz IQUWZXYBQGCQKJ-DFBJGRDBSA-N 1 0 623.548 4.010 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccnc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285527 562795826 /nfs/dbraw/zinc/79/58/26/562795826.db2.gz RBSVEPCXJWZPIY-DFBJGRDBSA-N 1 0 616.516 4.292 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2cccnc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285537 562795798 /nfs/dbraw/zinc/79/57/98/562795798.db2.gz YEFFLKUAMCNGBI-FNZWTVRRSA-N 1 0 630.543 4.221 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285539 562795875 /nfs/dbraw/zinc/79/58/75/562795875.db2.gz ODNRMXZHMWXBTG-DCFHFQCYSA-N 1 0 693.620 4.301 1 0 KIAFRO C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC[NH+](C)C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096286094 562796071 /nfs/dbraw/zinc/79/60/71/562796071.db2.gz QXSFHIXVYILBJR-AWEZNQCLSA-N 1 0 536.617 4.075 1 0 KIAFRO C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCC[NH+](C)C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096286095 562796053 /nfs/dbraw/zinc/79/60/53/562796053.db2.gz QXSFHIXVYILBJR-CQSZACIVSA-N 1 0 536.617 4.075 1 0 KIAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2C[C@H]([NH2+]C2CCC2)CC3)CC1)[C@H]1Cc2ccccc2CN1 ZINC000096309531 562796456 /nfs/dbraw/zinc/79/64/56/562796456.db2.gz KWZREXRGWOXNHG-SNTUXTEOSA-N 1 0 626.245 4.430 1 0 KIAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2C[C@@H]([NH2+]C2CCC2)CC3)CC1)[C@H]1Cc2ccccc2CN1 ZINC000096309533 562796464 /nfs/dbraw/zinc/79/64/64/562796464.db2.gz KWZREXRGWOXNHG-HEAIWMBWSA-N 1 0 626.245 4.430 1 0 KIAFRO CC[N@H+](C[C@H](Cc1ccccc1)NC(=O)OCc1cnco1)C[C@H](Cc1ccccc1)NC(=O)OCc1ncco1 ZINC000096315941 562796494 /nfs/dbraw/zinc/79/64/94/562796494.db2.gz ACZVADNXZFAFAJ-UIOOFZCWSA-N 1 0 561.639 4.360 1 0 KIAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000096318625 562796576 /nfs/dbraw/zinc/79/65/76/562796576.db2.gz CRSGHEPGTAUWJO-QNWVGRARSA-N 1 0 501.672 4.190 1 0 KIAFRO CN(C(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCC[NH2+]C1)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000096894190 562796742 /nfs/dbraw/zinc/79/67/42/562796742.db2.gz GPTOBNXZQVILMY-UVEJXLBHSA-N 1 0 765.012 4.136 1 0 KIAFRO CN(C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCC[NH2+]C1)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000096894193 562796750 /nfs/dbraw/zinc/79/67/50/562796750.db2.gz GPTOBNXZQVILMY-HECCNADXSA-N 1 0 765.012 4.136 1 0 KIAFRO CN(C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)CCC[NH3+])[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000096900040 562796741 /nfs/dbraw/zinc/79/67/41/562796741.db2.gz BMUQXJDFCFJWEG-IWWWZYECSA-N 1 0 782.986 4.300 1 0 KIAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@]1(c2cccc(C(C)(C)C)c2)CCc2nc(C)ncc2C1 ZINC000096900411 562796873 /nfs/dbraw/zinc/79/68/73/562796873.db2.gz XDGLKEPBKNWNMG-FLBADVGZSA-N 1 0 536.667 4.443 1 0 KIAFRO COc1ccc(C(=O)N2C[C@H]3C(=O)N(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)C(=O)[C@@H]3C23CC[NH2+]CC3)cc1OC ZINC000096900562 562796977 /nfs/dbraw/zinc/79/69/77/562796977.db2.gz JMTNSBHIHIHOHW-DENIHFKCSA-N 1 0 599.528 4.121 1 0 KIAFRO COc1ccc(C(=O)N2C[C@@H]3C(=O)N(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)C(=O)[C@@H]3C23CC[NH2+]CC3)cc1OC ZINC000096900563 562796953 /nfs/dbraw/zinc/79/69/53/562796953.db2.gz JMTNSBHIHIHOHW-SIKLNZKXSA-N 1 0 599.528 4.121 1 0 KIAFRO COc1ccc(C(=O)N2C[C@H]3C(=O)N(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)C(=O)[C@H]3C23CC[NH2+]CC3)cc1OC ZINC000096900564 562796976 /nfs/dbraw/zinc/79/69/76/562796976.db2.gz JMTNSBHIHIHOHW-KNQAVFIVSA-N 1 0 599.528 4.121 1 0 KIAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cn4cccnc4n3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096901346 562797058 /nfs/dbraw/zinc/79/70/58/562797058.db2.gz ZCJWLLAPYQIIQU-VXQMPNGUSA-N 1 0 505.638 4.407 1 0 KIAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2ccsc2C(N)=O)n1 ZINC000096901361 562797077 /nfs/dbraw/zinc/79/70/77/562797077.db2.gz PGLGFLNSPUHDGR-UHFFFAOYSA-N 1 0 506.636 4.145 1 0 KIAFRO COc1cc(C[NH2+][C@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@H]32)OCO4)cc(OC)c1OC ZINC000096904420 562798348 /nfs/dbraw/zinc/79/83/48/562798348.db2.gz XHZSKDSLWRZSAI-FKTIWSFWSA-N 1 0 593.629 4.233 1 0 KIAFRO CC[N@@H+]1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OCc7ccccc7)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@H](OC(C)=O)[C@@H]32)[C@@H]14 ZINC000096904615 562798441 /nfs/dbraw/zinc/79/84/41/562798441.db2.gz MPZNHEHDGYFENJ-SLHJZNNKSA-N 1 0 553.740 4.325 1 0 KIAFRO Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000096905689 562798577 /nfs/dbraw/zinc/79/85/77/562798577.db2.gz SRXNAWHDCFMFNI-NSOVKSMOSA-N 1 0 573.690 4.181 1 0 KIAFRO CCn1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)c2cc(F)c(N3CC[NH2+][C@H](C)C3)c(F)c21 ZINC000096905727 562798578 /nfs/dbraw/zinc/79/85/78/562798578.db2.gz KZMQPSBPRQIIGA-CYBMUJFWSA-N 1 0 510.463 4.249 1 0 KIAFRO CCn1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)c2cc(F)c(N3CC[NH2+][C@@H](C)C3)c(F)c21 ZINC000096905728 562798595 /nfs/dbraw/zinc/79/85/95/562798595.db2.gz KZMQPSBPRQIIGA-ZDUSSCGKSA-N 1 0 510.463 4.249 1 0 KIAFRO COCCCn1c2c3cc(Cl)ccc3oc2c(-c2ccc(N3CC[NH+](CCOC)CC3)cc2)nc1=O ZINC000096906336 562798762 /nfs/dbraw/zinc/79/87/62/562798762.db2.gz NCJRTHXETOUHQR-UHFFFAOYSA-N 1 0 511.022 4.268 1 0 KIAFRO C[NH+]1CCN(CCNC(=O)c2cncc(-n3ncc4cc(Nc5c(Cl)cccc5Cl)ccc43)c2)CC1 ZINC000096906716 562798815 /nfs/dbraw/zinc/79/88/15/562798815.db2.gz FENROWTXXDYDKK-UHFFFAOYSA-N 1 0 524.456 4.448 1 0 KIAFRO C[NH+](C)CCCNc1nc(-c2ccccc2NC(=O)c2ccc(NC(=O)CN3CCOCC3)cc2)nc2ccccc21 ZINC000096908903 562799490 /nfs/dbraw/zinc/79/94/90/562799490.db2.gz JHLQNNKQPKZETD-UHFFFAOYSA-N 1 0 567.694 4.183 1 0 KIAFRO CN1CCN(CC(=O)Nc2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4c(NCCC[NH+](C)C)n3)cc2)CC1 ZINC000096908904 562799475 /nfs/dbraw/zinc/79/94/75/562799475.db2.gz YATLLHQWURQADY-UHFFFAOYSA-N 1 0 580.737 4.099 1 0 KIAFRO C[N@@H+]1CCc2cc(-c3ccc4oc5c(c4c3)n(CCN3CCC[C@@H]3C(N)=O)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000096909793 562799749 /nfs/dbraw/zinc/79/97/49/562799749.db2.gz UTOMVINEBKPXSA-HHHXNRCGSA-N 1 0 547.659 4.414 1 0 KIAFRO CC[NH2+]Cc1nc2cc(-c3nc(=O)n(CCOC)c4c5cc(Br)ccc5oc43)ccc2n1C ZINC000096909985 562799842 /nfs/dbraw/zinc/79/98/42/562799842.db2.gz ROFZIGSAGJNXNC-UHFFFAOYSA-N 1 0 510.392 4.215 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](Oc2ccccc2)C[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(C)(C)C ZINC000096910331 562799970 /nfs/dbraw/zinc/79/99/70/562799970.db2.gz VDVRMBHUQSNCGW-HNJXHNCJSA-N 1 0 570.734 4.080 1 0 KIAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(C)(C)C ZINC000096910333 562799929 /nfs/dbraw/zinc/79/99/29/562799929.db2.gz UGEIQDJYOASVTF-HNJXHNCJSA-N 1 0 554.735 4.416 1 0 KIAFRO [NH3+]CC[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2cccc(c2)-c2cccc(c2)-c2nc(co2)-c2nc(co2)CNC1=O ZINC000096911081 562800170 /nfs/dbraw/zinc/80/01/70/562800170.db2.gz CBGRFDFVJSNXSV-NRFANRHFSA-N 1 0 577.557 4.051 1 0 KIAFRO CC(C)[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](CC[NH+](C)C)NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000096911083 562800162 /nfs/dbraw/zinc/80/01/62/562800162.db2.gz JUDLFXGQVLJYHE-QKKBWIMNSA-N 1 0 629.590 4.146 1 0 KIAFRO COc1ccc(C[C@@H]2c3cc(OCC[NH+](C)C)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000096913936 562800532 /nfs/dbraw/zinc/80/05/32/562800532.db2.gz UAWWMFAYDSBNHI-HHHXNRCGSA-N 1 0 547.696 4.111 1 0 KIAFRO COc1ccc(C[C@H]2c3cc(OCC[NH+](C)C)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC ZINC000096913937 562800582 /nfs/dbraw/zinc/80/05/82/562800582.db2.gz UAWWMFAYDSBNHI-MHZLTWQESA-N 1 0 547.696 4.111 1 0 KIAFRO [NH3+]CCCC[C@@H](/C=C/S(=O)(=O)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000096913992 562800721 /nfs/dbraw/zinc/80/07/21/562800721.db2.gz JQVLAJJSVDHVEK-QJGHOXDESA-N 1 0 549.693 4.126 1 0 KIAFRO CCCC[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]([NH3+])CCCC)C(=O)N[C@@H](CC1CCCCC1)C(N)=O ZINC000096915693 562801055 /nfs/dbraw/zinc/80/10/55/562801055.db2.gz YEYQBZFGPNZHCQ-XJYHXZFBSA-N 1 0 593.813 4.000 1 0 KIAFRO CCCC[C@@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O ZINC000096915696 562801087 /nfs/dbraw/zinc/80/10/87/562801087.db2.gz DESAEMFRXKHHIM-YGXYGYJOSA-N 1 0 627.830 4.053 1 0 KIAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Oc2ccc(COc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc2)n1 ZINC000096917085 562801265 /nfs/dbraw/zinc/80/12/65/562801265.db2.gz FBVWVWOOWQTPBH-UHFFFAOYSA-N 1 0 680.143 4.460 1 0 KIAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(COc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c2)n1 ZINC000096917092 562801253 /nfs/dbraw/zinc/80/12/53/562801253.db2.gz ODEJPNUERGGKHW-UHFFFAOYSA-N 1 0 680.143 4.460 1 0 KIAFRO O=C(Cc1cccc2ccccc21)NCCNC(=O)C1(NC(=O)c2ccc(C(F)(F)F)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC000096921949 562801599 /nfs/dbraw/zinc/80/15/99/562801599.db2.gz DXRRRKIHIBFEQM-UHFFFAOYSA-N 1 0 617.672 4.493 1 0 KIAFRO COc1cc(OC)cc(C(=O)NC2(C(=O)NCCNC(=O)Cc3cccc4ccccc43)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000096921950 562801617 /nfs/dbraw/zinc/80/16/17/562801617.db2.gz JTJXFJGHNSNIDI-UHFFFAOYSA-N 1 0 608.739 4.097 1 0 KIAFRO O=C(Cc1cccc2ccccc21)NCCNC(=O)C1(NC(=O)c2cccs2)CC[NH+](Cc2ccccc2)CC1 ZINC000096921952 562801619 /nfs/dbraw/zinc/80/16/19/562801619.db2.gz CYSWAYHYGMFWJS-UHFFFAOYSA-N 1 0 554.716 4.141 1 0 KIAFRO O=C(CCc1cccc(O)c1)NC1(C(=O)NCCNC(=O)Cc2cccc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000096921953 562801622 /nfs/dbraw/zinc/80/16/22/562801622.db2.gz ILBMXEYZALERBG-UHFFFAOYSA-N 1 0 592.740 4.104 1 0 KIAFRO COc1ccc(-n2nnc(CC[C@@H](O)CN3c4ccccc4Sc4ccc(N5CC[NH+](C)CC5)cc43)n2)cc1 ZINC000096922257 562801711 /nfs/dbraw/zinc/80/17/11/562801711.db2.gz VVSQWLRQKYSRSB-HSZRJFAPSA-N 1 0 543.697 4.019 1 0 KIAFRO COc1ccc(-n2nnc(CC[C@H](O)CN3c4ccccc4Sc4ccc(N5CC[NH+](C)CC5)cc43)n2)cc1 ZINC000096922258 562801763 /nfs/dbraw/zinc/80/17/63/562801763.db2.gz VVSQWLRQKYSRSB-QHCPKHFHSA-N 1 0 543.697 4.019 1 0 KIAFRO O=C(Nc1ccccc1)[C@@H]1N(Cc2ccccc2)[C@]23CC[C@]1(O)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@@H+](CC2CC2)CC[C@]513 ZINC000096924005 562802233 /nfs/dbraw/zinc/80/22/33/562802233.db2.gz KDJYGWLAKIVIFJ-UBVZOJDOSA-N 1 0 563.698 4.218 1 0 KIAFRO CCOc1ccc(C(=O)Nc2nccc(-c3cccnc3)n2)cc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000096928318 562802816 /nfs/dbraw/zinc/80/28/16/562802816.db2.gz ZXLIMBKLTQCSQI-UHFFFAOYSA-N 1 0 551.651 4.189 1 0 KIAFRO CC(C)Sc1nnc(-c2c(C[NH2+]CCN3CCOCC3)c3cc(F)ccc3n2C)n1-c1ccccc1 ZINC000096933336 562803586 /nfs/dbraw/zinc/80/35/86/562803586.db2.gz VYACEDDYJIQKDA-UHFFFAOYSA-N 1 0 508.667 4.487 1 0 KIAFRO C/C=C/CNC(=[NH2+])NCCCCCCCCN1CCCCCCOc2ccccc2CNC(N)=NC1=O ZINC000096933932 562803751 /nfs/dbraw/zinc/80/37/51/562803751.db2.gz HXWOYFWETGKNBQ-NSCUHMNNSA-N 1 0 513.731 4.496 1 0 KIAFRO CNC(=O)c1ccccc1Nc1nc(Nc2cc(NC(=O)/C=C/C[NH+](C)C)ccc2OC)ncc1Cl ZINC000096935134 562804058 /nfs/dbraw/zinc/80/40/58/562804058.db2.gz AYNPGTHYBNLFLV-JXMROGBWSA-N 1 0 509.998 4.042 1 0 KIAFRO C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CC[NH+](C)CC1 ZINC000096937390 562804194 /nfs/dbraw/zinc/80/41/94/562804194.db2.gz SOSWXMRNLZWISK-UHFFFAOYSA-N 1 0 519.009 4.073 1 0 KIAFRO C[NH+](C)CC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000096937559 562804275 /nfs/dbraw/zinc/80/42/75/562804275.db2.gz OQLJPXOUYFTNCP-UHFFFAOYSA-N 1 0 524.456 4.436 1 0 KIAFRO CN1CCN(c2cc3nc(/C=C/c4ccc(C(=O)NCC[NH+]5CCCC5)cc4)n(-c4ccccc4)c(=O)c3cc2F)CC1 ZINC000096938700 562804535 /nfs/dbraw/zinc/80/45/35/562804535.db2.gz GSWSWFZVNUFHOO-SDNWHVSQSA-N 1 0 580.708 4.273 1 0 KIAFRO CN1CCN(c2cc3nc(/C=C/c4ccc(NC(=O)C[NH+]5CCCC5)cc4)n(-c4ccccc4)c(=O)c3cc2F)CC1 ZINC000096938708 562804596 /nfs/dbraw/zinc/80/45/96/562804596.db2.gz IMYBYSWUJPCCJZ-SDNWHVSQSA-N 1 0 566.681 4.481 1 0 KIAFRO CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(C)CN(C7)c7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000096940553 562804980 /nfs/dbraw/zinc/80/49/80/562804980.db2.gz IXFJHGMADBUPEO-KMYMPCDISA-N 1 0 750.893 4.368 1 0 KIAFRO CCC(=O)CCCCC[C@H](NC(=O)CC[NH+]1CCN(C)CC1)c1nc(-c2cc(OC)c3ccccc3n2)c[nH]1 ZINC000096941672 562805033 /nfs/dbraw/zinc/80/50/33/562805033.db2.gz LQCSGNNVJRMNMX-VWLOTQADSA-N 1 0 534.705 4.358 1 0 KIAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)N(C)CCN(C)C[C@@H](O)COc1ccccc1C(=O)c1ccccc1 ZINC000096941784 562805076 /nfs/dbraw/zinc/80/50/76/562805076.db2.gz PVDAZJZRXAGDLU-RUZDIDTESA-N 1 0 575.731 4.129 1 0 KIAFRO CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)C[NH2+][C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000098082299 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557.635 4.057 1 0 KIAFRO COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H]([NH+]3CCN(c4ccccc4OCC(F)(F)F)CC3)CC2)cc1OC ZINC000101151420 562809542 /nfs/dbraw/zinc/80/95/42/562809542.db2.gz KBDQCTAMVLZQJL-MXVIHJGJSA-N 1 0 557.635 4.057 1 0 KIAFRO Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@H]2C[C@H]3C[N@H+](C[C@H](O)c4ccccc4)C[C@H]3C2)c1 ZINC000101322148 562810316 /nfs/dbraw/zinc/81/03/16/562810316.db2.gz KYCWFOMNQICMSP-LNEBKTTKSA-N 1 0 528.575 4.405 1 0 KIAFRO Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@H]2C[C@H]3C[N@H+](C[C@@H](O)c4ccccc4)C[C@H]3C2)c1 ZINC000101322151 562810314 /nfs/dbraw/zinc/81/03/14/562810314.db2.gz KYCWFOMNQICMSP-ZGXDEKTJSA-N 1 0 528.575 4.405 1 0 KIAFRO CCNC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(CC[NH+](C)C)C(C)=O)cc1)c1ccccc1 ZINC000101372824 562810454 /nfs/dbraw/zinc/81/04/54/562810454.db2.gz ZYSFQPYDGIWDSA-DQSJHHFOSA-N 1 0 511.626 4.283 1 0 KIAFRO CCNC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1)c1ccccc1 ZINC000101372867 562810434 /nfs/dbraw/zinc/81/04/34/562810434.db2.gz 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COC(=O)c1c(Cc2ccc(C(=O)N[C@@H]3[C@@H]4C[C@@H]5C[C@H]3C[C@]([NH3+])(C4)C5)cc2)c(=O)c2cccnc2n1-c1ccccc1 ZINC000101544199 562811293 /nfs/dbraw/zinc/81/12/93/562811293.db2.gz OVPCOPWFTZDTCI-CJYKQNLHSA-N 1 0 562.670 4.399 1 0 KIAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c3ccc(Cl)cc3)CC1)C2 ZINC000101641446 562811467 /nfs/dbraw/zinc/81/14/67/562811467.db2.gz YHMAMSIULQZZNV-UEQSERJNSA-N 1 0 500.470 4.494 1 0 KIAFRO O=C(CC[NH+](CCO)CCO)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696252 562811867 /nfs/dbraw/zinc/81/18/67/562811867.db2.gz GLQRTUNBWXZYNP-UHFFFAOYSA-N 1 0 587.698 4.280 1 0 KIAFRO [NH3+]CCNCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696321 562811850 /nfs/dbraw/zinc/81/18/50/562811850.db2.gz CCFQFLQMVFLSFU-UHFFFAOYSA-N 1 0 528.634 4.151 1 0 KIAFRO O=C(C[NH2+]CCO)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696413 562811895 /nfs/dbraw/zinc/81/18/95/562811895.db2.gz JKKCYAWXNTVDDW-UHFFFAOYSA-N 1 0 529.618 4.185 1 0 KIAFRO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCCCN2CCN(S(C)(=O)=O)CC2)c1=O ZINC000101799388 562812135 /nfs/dbraw/zinc/81/21/35/562812135.db2.gz KAOSIRKPPAYQML-PKQPGRETSA-N 1 0 613.869 4.225 1 0 KIAFRO COc1cc(C=C2C[N@H+](C)CC3=C2Nc2nc(SC)[nH]c(=O)c2[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000103097582 562814314 /nfs/dbraw/zinc/81/43/14/562814314.db2.gz NTWNFVKIPIOAEO-AVQBUJNVSA-N 1 0 608.717 4.384 1 0 KIAFRO COc1cc(C=C2C[N@H+](C)CC3=C2Nc2nc(SC)[nH]c(=O)c2[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000103097585 562814311 /nfs/dbraw/zinc/81/43/11/562814311.db2.gz NTWNFVKIPIOAEO-CIOPSUNISA-N 1 0 608.717 4.384 1 0 KIAFRO CC[NH2+]CC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c4cc(-c5ccc(CO)cc5)ccc4oc32)cc1 ZINC000103135366 562814457 /nfs/dbraw/zinc/81/44/57/562814457.db2.gz XIPPDLJCYSTANM-UHFFFAOYSA-N 1 0 526.593 4.163 1 0 KIAFRO C[NH+]1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=O)NCCc2ccccc2)CC1 ZINC000103171771 562814897 /nfs/dbraw/zinc/81/48/97/562814897.db2.gz PCRIYRHCEQTNMW-UHFFFAOYSA-N 1 0 567.679 4.342 1 0 KIAFRO C[NH+]1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=O)NC2CCCCC2)CC1 ZINC000103187894 562815558 /nfs/dbraw/zinc/81/55/58/562815558.db2.gz ULXRCXNSNPSPGI-UHFFFAOYSA-N 1 0 545.673 4.432 1 0 KIAFRO O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1C[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000103189435 562815652 /nfs/dbraw/zinc/81/56/52/562815652.db2.gz AOTOZHGLUQLBFZ-QHCPKHFHSA-N 1 0 519.443 4.009 1 0 KIAFRO O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1C[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000103189439 562815621 /nfs/dbraw/zinc/81/56/21/562815621.db2.gz AOTOZHGLUQLBFZ-HSZRJFAPSA-N 1 0 519.443 4.009 1 0 KIAFRO CCO[C@@H]1C[N@@H+]([C@H]2CC[C@@](O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CCC(=O)c1cccc(C(F)(F)F)c1 ZINC000103217770 562817230 /nfs/dbraw/zinc/81/72/30/562817230.db2.gz ONKCEKXCTHHULI-MGDJTOPQSA-N 1 0 576.612 4.433 1 0 KIAFRO CC(=O)N1CCc2nc(C)n([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4CC[C@@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)c2C1 ZINC000103224993 562817620 /nfs/dbraw/zinc/81/76/20/562817620.db2.gz LKWMJYRYMBSDDR-QUAHOIDUSA-N 1 0 575.779 4.416 1 0 KIAFRO CC(=O)N1CCc2nc(C)n([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4CC[C@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)c2C1 ZINC000103224995 562817681 /nfs/dbraw/zinc/81/76/81/562817681.db2.gz LKWMJYRYMBSDDR-GKQHHHCTSA-N 1 0 575.779 4.416 1 0 KIAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCn1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000103225008 562817665 /nfs/dbraw/zinc/81/76/65/562817665.db2.gz XPDKHWGJPIAGSI-BKFWDETESA-N 1 0 588.778 4.369 1 0 KIAFRO CCN(CC)c1ccc2cc(C(=O)NCCOc3cccc4c(C(=O)N[C@@H]5C[C@H]6CCC[C@@H](C5)[N@H+]6C)nn(C)c43)c(=O)oc2c1 ZINC000103225009 562817672 /nfs/dbraw/zinc/81/76/72/562817672.db2.gz KKQAFQIZABQOOY-JOZNFPNDSA-N 1 0 614.747 4.080 1 0 KIAFRO CCN(CC)c1ccc2cc(C(=O)NCCCOc3cccc4c(C(=O)N[C@H]5C[C@H]6CCC[C@@H](C5)[N@H+]6C)nn(C)c43)c(=O)oc2c1 ZINC000103225013 562817641 /nfs/dbraw/zinc/81/76/41/562817641.db2.gz STOPSEQYAMSLCO-QEIWAGNOSA-N 1 0 628.774 4.470 1 0 KIAFRO CC1=C(CC(=O)Nc2c[n+](-c3ccccc3)no2)c2cc(F)ccc2C1=Cc1ccc(S(C)(=O)=O)cc1 ZINC000103225322 562817663 /nfs/dbraw/zinc/81/76/63/562817663.db2.gz XUOICBJLMNIXMB-OYKKKHCWSA-O 1 0 516.574 4.272 1 0 KIAFRO CC1=C(CC(=O)NCCOC(=O)Nc2c[n+](-c3ccccc3)no2)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000103225325 562817649 /nfs/dbraw/zinc/81/76/49/562817649.db2.gz LSEYQCXLBPMEAU-ZFYSVYJSSA-O 1 0 587.653 4.332 1 0 KIAFRO CC1=C(CC(=O)NCCOC(=O)Nc2c[n+](-c3ccccc3)no2)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000103225326 562817650 /nfs/dbraw/zinc/81/76/50/562817650.db2.gz LSEYQCXLBPMEAU-HNVWAABTSA-O 1 0 587.653 4.332 1 0 KIAFRO C[NH+](C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2c(N)n[nH]c2cc1F ZINC000103230373 562818176 /nfs/dbraw/zinc/81/81/76/562818176.db2.gz YLSQZKFYCQTDNI-UHFFFAOYSA-N 1 0 546.534 4.246 1 0 KIAFRO CN1CCN(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc3cc(F)ccc3c2)CC1 ZINC000103231427 562818278 /nfs/dbraw/zinc/81/82/78/562818278.db2.gz IABLUIXTFBYBAQ-OJXFFNQFSA-N 1 0 514.645 4.292 1 0 KIAFRO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2cc(F)ccc2c1)c1ccccc1C(=O)N1CCOCC1 ZINC000103231429 562818268 /nfs/dbraw/zinc/81/82/68/562818268.db2.gz ADTVNUYDDICOCW-PBROBROCSA-N 1 0 501.602 4.377 1 0 KIAFRO NC(=[NH2+])c1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)c(Oc3ccc(C(N)=[NH2+])cc3)n2)cc1 ZINC000103233830 562818545 /nfs/dbraw/zinc/81/85/45/562818545.db2.gz OULLHRZBOHSCMV-UHFFFAOYSA-N 1 0 538.536 4.313 1 0 KIAFRO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2cc(F)ccc2c1)c1cc[n+]([O-])cc1C(=O)N1CCCCC1 ZINC000103234003 562818561 /nfs/dbraw/zinc/81/85/61/562818561.db2.gz SBJLPUIBYIEHFY-PBROBROCSA-N 1 0 516.617 4.164 1 0 KIAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c2cccc(Cl)c2)CC1 ZINC000103234233 562818531 /nfs/dbraw/zinc/81/85/31/562818531.db2.gz DBOUOFYQUOJCDW-UHFFFAOYSA-N 1 0 539.120 4.350 1 0 KIAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2cccc(Cl)c2)CC1 ZINC000103234238 562818559 /nfs/dbraw/zinc/81/85/59/562818559.db2.gz PZUNHGZREVJANF-UHFFFAOYSA-N 1 0 557.110 4.489 1 0 KIAFRO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)c2cccc(Cl)c2)CC1 ZINC000103234253 562818623 /nfs/dbraw/zinc/81/86/23/562818623.db2.gz QXYFMNQOXMUIFW-UHFFFAOYSA-N 1 0 553.147 4.393 1 0 KIAFRO C[NH+]1CCN(CCNC(=O)[C@@H](NC(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000103235194 562818666 /nfs/dbraw/zinc/81/86/66/562818666.db2.gz JFGLWAYTUSEUIY-QFIPXVFZSA-N 1 0 558.567 4.223 1 0 KIAFRO O=C(Nc1cc(Cl)c(O)cc1OC[C@@H](O)C[NH+]1CCC2(Cc3cc(Cl)ccc3O2)CC1)NC1CC1 ZINC000103235604 562818733 /nfs/dbraw/zinc/81/87/33/562818733.db2.gz QJAYKDGGKXBVAZ-SFHVURJKSA-N 1 0 522.429 4.192 1 0 KIAFRO COc1ncc2cc(C(=O)Nc3cc(C(=O)N[C@@H](CC[NH+](C)C)c4cccc(Cl)c4)ccc3Cl)c(=O)[nH]c2n1 ZINC000103251302 562820361 /nfs/dbraw/zinc/82/03/61/562820361.db2.gz GFSFWVNETAIFJQ-NRFANRHFSA-N 1 0 569.449 4.309 1 0 KIAFRO COc1ncc2cc(C(=O)Nc3cc(C(=O)N[C@H](CC[NH+](C)C)c4cccc(Cl)c4)ccc3Cl)c(=O)[nH]c2n1 ZINC000103251305 562820352 /nfs/dbraw/zinc/82/03/52/562820352.db2.gz GFSFWVNETAIFJQ-OAQYLSRUSA-N 1 0 569.449 4.309 1 0 KIAFRO C[NH+](C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2c(=O)[nH]cnc2cc1F ZINC000103252903 562820470 /nfs/dbraw/zinc/82/04/70/562820470.db2.gz IQCPUQUVEGAYCJ-UHFFFAOYSA-N 1 0 559.529 4.024 1 0 KIAFRO C[NH+](C)CCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2c(=O)[nH]cnc2cc1F ZINC000103252907 562820488 /nfs/dbraw/zinc/82/04/88/562820488.db2.gz CPGSNKMIVSJGFF-UHFFFAOYSA-N 1 0 573.556 4.414 1 0 KIAFRO CCC[N@H+](CCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)[C@@H]1CCc2nc(N)sc2C1 ZINC000103253173 562820457 /nfs/dbraw/zinc/82/04/57/562820457.db2.gz STHBEDQEROPZSH-RUZDIDTESA-N 1 0 503.716 4.420 1 0 KIAFRO CCC[N@H+](CCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000103253175 562820475 /nfs/dbraw/zinc/82/04/75/562820475.db2.gz STHBEDQEROPZSH-VWLOTQADSA-N 1 0 503.716 4.420 1 0 KIAFRO C[NH+](C)CCCNC(=O)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000103253626 562820558 /nfs/dbraw/zinc/82/05/58/562820558.db2.gz AMQVRRBXYZICIR-INIZCTEOSA-N 1 0 502.978 4.407 1 0 KIAFRO CN(CC[NH+](C)C)C(=O)Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000103253632 562820575 /nfs/dbraw/zinc/82/05/75/562820575.db2.gz YYHFEFKIJAZQPJ-INIZCTEOSA-N 1 0 502.978 4.359 1 0 KIAFRO COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1[NH2+][C@@H](CC(C)(C)C)[C@]2(c3cnc(Cl)nc3NC2=O)[C@H]1c1cccc(Cl)c1F ZINC000103254025 562820593 /nfs/dbraw/zinc/82/05/93/562820593.db2.gz ORCGOHBRBKYLAQ-ROUDKJGJSA-N 1 0 615.493 4.419 1 0 KIAFRO COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1[NH2+][C@@H](CC(C)(C)C)[C@]2(c3cnccc3NC2=O)[C@H]1c1cccc(Cl)c1F ZINC000103254052 562820643 /nfs/dbraw/zinc/82/06/43/562820643.db2.gz JZJSBNKVPGNXHW-AMKZZFPWSA-N 1 0 580.060 4.371 1 0 KIAFRO O[C@H](COCCOc1ccc(Br)cc1)C[NH+]1CCN(c2ccccc2N2CCCCC2)CC1 ZINC000103254530 562820709 /nfs/dbraw/zinc/82/07/09/562820709.db2.gz MFQFTDZASNFCJZ-QHCPKHFHSA-N 1 0 518.496 4.018 1 0 KIAFRO O[C@@H](COCCOc1ccc(Br)cc1)C[NH+]1CCN(c2ccccc2N2CCCCC2)CC1 ZINC000103254533 562820654 /nfs/dbraw/zinc/82/06/54/562820654.db2.gz MFQFTDZASNFCJZ-HSZRJFAPSA-N 1 0 518.496 4.018 1 0 KIAFRO CN(C(=O)C(C)(C)C)c1ccccc1N1CC[NH+](C[C@H](O)COCCOc2ccc(Br)cc2)CC1 ZINC000103254582 562820705 /nfs/dbraw/zinc/82/07/05/562820705.db2.gz VHOVHIVTOIWKOZ-QFIPXVFZSA-N 1 0 548.522 4.037 1 0 KIAFRO CN(C(=O)C(C)(C)C)c1ccccc1N1CC[NH+](C[C@@H](O)COCCOc2ccc(Br)cc2)CC1 ZINC000103254584 562820681 /nfs/dbraw/zinc/82/06/81/562820681.db2.gz VHOVHIVTOIWKOZ-JOCHJYFZSA-N 1 0 548.522 4.037 1 0 KIAFRO Cc1ccc(CN2CC[NH+](C)CC2)cc1NC(=O)c1ccc(Nc2nc(-c3cnn(C)c3)c3cccn3n2)cc1 ZINC000103261572 562821496 /nfs/dbraw/zinc/82/14/96/562821496.db2.gz JVGLKTAQCPNEFS-UHFFFAOYSA-N 1 0 535.656 4.182 1 0 KIAFRO C[C@@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2C[NH+]2CCC(F)(F)CC2)cc1)C(F)(F)F ZINC000103261593 562821482 /nfs/dbraw/zinc/82/14/82/562821482.db2.gz DHWILEOQAVRHSB-PZJWPPBQSA-N 1 0 553.619 4.129 1 0 KIAFRO C[C@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2C[NH+]2CCC(F)(F)CC2)cc1)C(F)(F)F ZINC000103261595 562821511 /nfs/dbraw/zinc/82/15/11/562821511.db2.gz DHWILEOQAVRHSB-FPOVZHCZSA-N 1 0 553.619 4.129 1 0 KIAFRO Cc1ccc(CN2CC[NH+](C)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3cnn(C)c3)n2)cc1 ZINC000103264887 562822005 /nfs/dbraw/zinc/82/20/05/562822005.db2.gz DXTFIVOXHKOWGG-UHFFFAOYSA-N 1 0 510.646 4.237 1 0 KIAFRO Cc1ccc(C[NH+]2CCC(O)CC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3cnn(C)c3)n2)cc1 ZINC000103264895 562822039 /nfs/dbraw/zinc/82/20/39/562822039.db2.gz MGDJRSUKIUPRGQ-UHFFFAOYSA-N 1 0 511.630 4.447 1 0 KIAFRO CC[C@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000103266152 562822189 /nfs/dbraw/zinc/82/21/89/562822189.db2.gz FAHWZKRRVQTVKR-IBGZPJMESA-N 1 0 519.456 4.273 1 0 KIAFRO CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000103266165 562822194 /nfs/dbraw/zinc/82/21/94/562822194.db2.gz TZQOPZGWEWCZJX-IBGZPJMESA-N 1 0 531.492 4.289 1 0 KIAFRO CCNc1nnc(-c2cnc(N3C[C@H](CC)[N@@H+](C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C[C@H]3C)c(C(F)(F)F)n2)o1 ZINC000103266227 562822248 /nfs/dbraw/zinc/82/22/48/562822248.db2.gz SGVFDERDUYGIFF-CVEARBPZSA-N 1 0 623.084 4.202 1 0 KIAFRO CCNc1nnc(-c2cnc(N3CC[N@@H+](C4CCN(C(=O)c5ccc(Cl)cc5)CC4)[C@@H](CC)C3)c(C)n2)o1 ZINC000103266232 562822257 /nfs/dbraw/zinc/82/22/57/562822257.db2.gz SJHKZUZRGBEPFZ-NRFANRHFSA-N 1 0 539.084 4.126 1 0 KIAFRO CC[C@H]1CN(c2ncc(-c3nnc(NC)o3)nc2C)[C@H](C)C[N@@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000103266241 562822245 /nfs/dbraw/zinc/82/22/45/562822245.db2.gz FAYGVZCNVVTEKX-UTKZUKDTSA-N 1 0 539.084 4.124 1 0 KIAFRO CC[C@H]1CN(c2ncc(-c3ncc[nH]3)nc2C)[C@H](C)C[N@@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000103266248 562822302 /nfs/dbraw/zinc/82/23/02/562822302.db2.gz PYJUYNXEXBHJIC-GCJKJVERSA-N 1 0 508.070 4.422 1 0 KIAFRO CC[NH+](CC)CCN1C(=O)[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)S[C@H]1c1ccccc1 ZINC000103267632 562822457 /nfs/dbraw/zinc/82/24/57/562822457.db2.gz NIDPZTCZMVRANJ-UHSQPCAPSA-N 1 0 549.741 4.400 1 0 KIAFRO CC[NH+](CC)CCN1C(=O)[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)S[C@@H]1c1ccccc1 ZINC000103267634 562822522 /nfs/dbraw/zinc/82/25/22/562822522.db2.gz NIDPZTCZMVRANJ-GGXMVOPNSA-N 1 0 549.741 4.400 1 0 KIAFRO CC[NH+](CC)CCN1C(=O)[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)S[C@H]1c1ccccc1 ZINC000103267635 562822526 /nfs/dbraw/zinc/82/25/26/562822526.db2.gz NIDPZTCZMVRANJ-WNJJXGMVSA-N 1 0 549.741 4.400 1 0 KIAFRO CC[NH+](CC)CCN1C(=O)[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)S[C@@H]1c1ccccc1 ZINC000103267636 562822527 /nfs/dbraw/zinc/82/25/27/562822527.db2.gz NIDPZTCZMVRANJ-LITSAYRRSA-N 1 0 549.741 4.400 1 0 KIAFRO C[NH+]1CCN(c2ccc(Nc3ncc4cc(S(=O)(=O)c5ccccc5)c(=O)n(C5CCCC5)c4n3)cc2)CC1 ZINC000103269229 562822782 /nfs/dbraw/zinc/82/27/82/562822782.db2.gz MLMHICKPMVFARV-UHFFFAOYSA-N 1 0 544.681 4.235 1 0 KIAFRO COc1ccc(CS(=O)(=O)c2cc3cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4)nc3n(C3CCCC3)c2=O)cc1O ZINC000103269236 562822767 /nfs/dbraw/zinc/82/27/67/562822767.db2.gz DUZGORQGWFATJX-UHFFFAOYSA-N 1 0 604.733 4.090 1 0 KIAFRO COc1ccc(CNC(=O)CCOCC[NH+]2CCN(c3cccc(-c4ccccc4OC)c3)CC2)cc1 ZINC000103270738 562822931 /nfs/dbraw/zinc/82/29/31/562822931.db2.gz DUYJJXGRECSQOB-UHFFFAOYSA-N 1 0 503.643 4.216 1 0 KIAFRO C/C=C(\C)[C@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)CN(C)S(=O)(=O)c1ccccc1 ZINC000103276286 562823182 /nfs/dbraw/zinc/82/31/82/562823182.db2.gz ATYCZVDOJGEBRK-LOOGNAGDSA-N 1 0 500.730 4.435 1 0 KIAFRO C/C=C(\C)[C@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)CN(C)S(=O)(=O)c1ccccc1 ZINC000103276289 562823184 /nfs/dbraw/zinc/82/31/84/562823184.db2.gz ATYCZVDOJGEBRK-MQMDCASLSA-N 1 0 500.730 4.435 1 0 KIAFRO CC(C)[NH2+][C@H](O)COc1c2c(c(Br)c(Br)c1Br)CC(C)(C)O2 ZINC000103277489 562823280 /nfs/dbraw/zinc/82/32/80/562823280.db2.gz QYCUPOPALGGQDP-SECBINFHSA-N 1 0 502.041 4.383 1 0 KIAFRO CC(C)[NH2+][C@@H](O)COc1c2c(c(Br)c(Br)c1Br)CC(C)(C)O2 ZINC000103277492 562823290 /nfs/dbraw/zinc/82/32/90/562823290.db2.gz QYCUPOPALGGQDP-VIFPVBQESA-N 1 0 502.041 4.383 1 0 KIAFRO C=CC(=O)N1CC[C@H](N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)c(C)c4)ncc3CN(c3ccccc3)C2=O)C1 ZINC000103285402 562823804 /nfs/dbraw/zinc/82/38/04/562823804.db2.gz HIGAAWXTGFRHCE-SANMLTNESA-N 1 0 552.683 4.014 1 0 KIAFRO C=CC(=O)N1CCC[C@@H](N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(Cc3ccccc3)C2=O)C1 ZINC000103287271 562823910 /nfs/dbraw/zinc/82/39/10/562823910.db2.gz NSAJROLZGLVIST-HHHXNRCGSA-N 1 0 596.736 4.100 1 0 KIAFRO C=CC(=O)N1CCC[C@H](N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(Cc3ccccc3)C2=O)C1 ZINC000103287273 562823932 /nfs/dbraw/zinc/82/39/32/562823932.db2.gz NSAJROLZGLVIST-MHZLTWQESA-N 1 0 596.736 4.100 1 0 KIAFRO C=CC(=O)N1CCC(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(Cc3ccccc3)C2=O)CC1 ZINC000103287275 562823923 /nfs/dbraw/zinc/82/39/23/562823923.db2.gz NQRXMBVOEORPDS-UHFFFAOYSA-N 1 0 596.736 4.100 1 0 KIAFRO C[C@H](Cc1c[nH]c2c1cccc2OS(C)(=O)=O)[NH2+]C[C@H](O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000103293381 562824353 /nfs/dbraw/zinc/82/43/53/562824353.db2.gz IQESKMUIWATIEL-KOSHJBKYSA-N 1 0 507.612 4.013 1 0 KIAFRO CCCCC[C@H]1CCCC[C@@H]1OC[C@]1(O)C[C@@]23C(=C1C(=O)[O-])C[C@@H](CC[C@H]2C)[C@@]31CN(C(=[NH2+])NC)C=C[C@@H]1C[NH2+]CCO ZINC000103524474 565192710 /nfs/dbraw/zinc/19/27/10/565192710.db2.gz LIDNDEHXSOIHHS-JEFOWMFZSA-N 1 0 600.845 4.262 1 0 biogenic,in-vitro KIAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CC[C@@H]3C[C@@H]4CCC5=CC[C@H](C)C[C@@H]5[C@]4(O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@H+]34 ZINC000103573116 560051988 /nfs/dbraw/zinc/05/19/88/560051988.db2.gz GRGSAVVSXYKKFW-GLXARPBHSA-N 1 0 523.670 4.327 1 0 biogenic,in-vitro KIAFRO COc1cc2nc(N3CCN(c4ccccn4)CC3)nc(NC3CC[NH+](Cc4ccccc4)CC3)c2cc1OC ZINC000105142509 562825141 /nfs/dbraw/zinc/82/51/41/562825141.db2.gz ZVFCREVCGFDCBE-UHFFFAOYSA-N 1 0 539.684 4.445 1 0 KIAFRO Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(N3CCC([NH+]4CCCCC4)CC3)cc2)C1 ZINC000113090889 562826218 /nfs/dbraw/zinc/82/62/18/562826218.db2.gz YEXLAIZMZWESQE-MUUNZHRXSA-N 1 0 532.664 4.014 1 0 KIAFRO NC(=O)c1cc(-c2ccc(OC3CC[NH2+]CC3)c(Cl)c2)nc2c3ccc(N4CCOCC4)cc3[nH]c21 ZINC000113198200 562826318 /nfs/dbraw/zinc/82/63/18/562826318.db2.gz SGPPMRNCGUJBSJ-UHFFFAOYSA-N 1 0 506.006 4.103 1 0 KIAFRO C[NH+]1CCN(c2ccc3c(c2)[nH]c2c3cc(-c3ccc(CN4CCOCC4)c(Cl)c3)cc2C(N)=O)CC1 ZINC000113207044 562826345 /nfs/dbraw/zinc/82/63/45/562826345.db2.gz OCVCOYUHNZIGBC-UHFFFAOYSA-N 1 0 518.061 4.324 1 0 KIAFRO CCc1nc(C(N)=O)c(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)c(C)c2)nc1NC1CCC(O)(C(C)C)CC1 ZINC000113476764 562826513 /nfs/dbraw/zinc/82/65/13/562826513.db2.gz XESXLGAWQNDUJX-UHFFFAOYSA-N 1 0 592.833 4.148 1 0 KIAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[NH+](C5CCCC5)CC4)cn3)nc2n1C1CCCC1 ZINC000113524581 562826599 /nfs/dbraw/zinc/82/65/99/562826599.db2.gz ACJGJMCIFMQOSA-UHFFFAOYSA-N 1 0 502.667 4.451 1 0 KIAFRO COC[C@@H](Oc1cc(C[C@@H]2C[S@](=O)C[C@H]([NH2+]Cc3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000113540853 562826622 /nfs/dbraw/zinc/82/66/22/562826622.db2.gz FIUDDEQHPBHZBI-XPLIUGCLSA-N 1 0 560.654 4.102 1 0 in-vitro KIAFRO C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CC[NH+](C)C)C3=O ZINC000113834104 562826851 /nfs/dbraw/zinc/82/68/51/562826851.db2.gz LRJJEMRURFIKDD-ZDUSSCGKSA-N 1 0 542.537 4.035 1 0 KIAFRO [NH3+][C@H]1CCN(C(=O)CN(CC(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(Oc3ccccc3)cc2)C1 ZINC000114000561 562826887 /nfs/dbraw/zinc/82/68/87/562826887.db2.gz WHXMWBWMNMEOEN-QFIPXVFZSA-N 1 0 544.549 4.319 1 0 KIAFRO COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4cnc(N5CC[NH2+]CC5)nc4)c3c2)cc(Cl)c1O ZINC000114039281 562827386 /nfs/dbraw/zinc/82/73/86/562827386.db2.gz PVRDXZWKQIGTTM-UHFFFAOYSA-N 1 0 504.978 4.415 1 0 KIAFRO COc1cccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCC[N@@H+]4C[C@@H]2Cc2ccccc2)C3(C)C)c1 ZINC000114179573 562827759 /nfs/dbraw/zinc/82/77/59/562827759.db2.gz QPTXUILVOKMXLI-GOTSBHOMSA-N 1 0 528.657 4.233 1 0 KIAFRO CC1(C)c2[nH]nc(NC(=O)c3ccc4ccncc4n3)c2CN1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1Cc1ccccc1 ZINC000114180994 562827778 /nfs/dbraw/zinc/82/77/78/562827778.db2.gz QBWHEKWORLRTRF-GOTSBHOMSA-N 1 0 550.667 4.167 1 0 KIAFRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3c(F)cccc3C(F)(F)F)n[nH]c2C1(C)C ZINC000114181044 562827792 /nfs/dbraw/zinc/82/77/92/562827792.db2.gz PMJWZOOCPCIFCN-KBPBESRZSA-N 1 0 508.520 4.159 1 0 KIAFRO COc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCC[N@@H+]4C[C@@H]2Cc2ccccc2)C3(C)C)cc1 ZINC000114183146 562827846 /nfs/dbraw/zinc/82/78/46/562827846.db2.gz YNXUDMVMRCJRGH-GOTSBHOMSA-N 1 0 528.657 4.233 1 0 KIAFRO CC1(C)c2[nH]nc(NC(=O)c3ccccn3)c2CN1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC1CCCCC1 ZINC000114183193 562827861 /nfs/dbraw/zinc/82/78/61/562827861.db2.gz RPSNRFSQCWIJPP-SFTDATJTSA-N 1 0 505.667 4.347 1 0 KIAFRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc(C(F)(F)F)ccc3F)n[nH]c2C1(C)C ZINC000114183201 562827858 /nfs/dbraw/zinc/82/78/58/562827858.db2.gz HHMOALRLXTVPKK-ZFWWWQNUSA-N 1 0 508.520 4.159 1 0 KIAFRO C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4ccc(C(F)(F)F)cn4)n[nH]c3C2(C)C)[C@@H](C)C[N@@H+]1CC1CCOCC1 ZINC000114184417 562827911 /nfs/dbraw/zinc/82/79/11/562827911.db2.gz KIDSAMBMXNPHKM-SJORKVTESA-N 1 0 563.625 4.068 1 0 KIAFRO C[C@@H]1CCCN1c1cc(C(=O)Nc2cccc([C@@H](C[NH+](C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)ccn1 ZINC000114345959 562828036 /nfs/dbraw/zinc/82/80/36/562828036.db2.gz IVOSBLQIUULOJZ-KBMIEXCESA-N 1 0 538.656 4.080 1 0 KIAFRO C[C@H]1CCCN1c1cc(C(=O)Nc2cccc([C@@H](C[NH+](C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)ccn1 ZINC000114345960 562828016 /nfs/dbraw/zinc/82/80/16/562828016.db2.gz IVOSBLQIUULOJZ-UQBPGWFLSA-N 1 0 538.656 4.080 1 0 KIAFRO CC[NH+](CC)CCOc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1 ZINC000114346013 562828032 /nfs/dbraw/zinc/82/80/32/562828032.db2.gz IKCMZUXDTCBLMO-UHFFFAOYSA-N 1 0 512.614 4.314 1 0 KIAFRO C[NH+](C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(N3CCCCC3)c2)c1 ZINC000114346239 562828025 /nfs/dbraw/zinc/82/80/25/562828025.db2.gz POQNJRCZSQACTE-RUZDIDTESA-N 1 0 538.656 4.081 1 0 KIAFRO C[NH+](C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(N3CCCCC3)c2)c1 ZINC000114346241 562828008 /nfs/dbraw/zinc/82/80/08/562828008.db2.gz POQNJRCZSQACTE-VWLOTQADSA-N 1 0 538.656 4.081 1 0 KIAFRO COC[C@@H]1CCC[N@@H+]1CCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(C(F)(F)F)cc3)c2c1 ZINC000114346810 562828027 /nfs/dbraw/zinc/82/80/27/562828027.db2.gz ZCFAZQHPFMXORF-IBGZPJMESA-N 1 0 517.552 4.239 1 0 KIAFRO NC(=O)c1cccc2c(N[C@@H](CC[NH+]3CCCC3)c3cccc(NC(=O)c4cc(C5CC5)[nH]n4)c3)ncnc12 ZINC000114347676 562828083 /nfs/dbraw/zinc/82/80/83/562828083.db2.gz GBUFYIYCFQABTC-QHCPKHFHSA-N 1 0 524.629 4.221 1 0 KIAFRO NC(=O)c1cccc2c(N[C@H](CC[NH+]3CCCC3)c3cccc(NC(=O)c4cc(C5CC5)[nH]n4)c3)ncnc12 ZINC000114347680 562828075 /nfs/dbraw/zinc/82/80/75/562828075.db2.gz GBUFYIYCFQABTC-HSZRJFAPSA-N 1 0 524.629 4.221 1 0 KIAFRO C[NH+](C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000114348128 562828049 /nfs/dbraw/zinc/82/80/49/562828049.db2.gz YRQSEFHVBKRZFV-JOCHJYFZSA-N 1 0 533.430 4.458 1 0 KIAFRO C[NH+](C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000114348130 562828057 /nfs/dbraw/zinc/82/80/57/562828057.db2.gz YRQSEFHVBKRZFV-QFIPXVFZSA-N 1 0 533.430 4.458 1 0 KIAFRO CC[NH+](CC)CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1 ZINC000114348633 562828077 /nfs/dbraw/zinc/82/80/77/562828077.db2.gz MSISHOSYNKFLMZ-UHFFFAOYSA-N 1 0 542.640 4.322 1 0 KIAFRO C[NH+](C)CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)cc2F)c1 ZINC000114348705 562828102 /nfs/dbraw/zinc/82/81/02/562828102.db2.gz MFRRIEBIBJQMAF-HSZRJFAPSA-N 1 0 504.541 4.364 1 0 KIAFRO C[NH+](C)CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)cc2F)c1 ZINC000114348707 562828105 /nfs/dbraw/zinc/82/81/05/562828105.db2.gz MFRRIEBIBJQMAF-QHCPKHFHSA-N 1 0 504.541 4.364 1 0 KIAFRO C[NH+](C)CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(F)ccc2F)c1 ZINC000114349034 562828092 /nfs/dbraw/zinc/82/80/92/562828092.db2.gz QWDOEIJNIDENOC-HSZRJFAPSA-N 1 0 504.541 4.364 1 0 KIAFRO C[NH+](C)CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(F)ccc2F)c1 ZINC000114349038 562828119 /nfs/dbraw/zinc/82/81/19/562828119.db2.gz QWDOEIJNIDENOC-QHCPKHFHSA-N 1 0 504.541 4.364 1 0 KIAFRO C[NH2+]C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000114349435 562828122 /nfs/dbraw/zinc/82/81/22/562828122.db2.gz RHWHWWRJINHZQN-OAQYLSRUSA-N 1 0 519.403 4.116 1 0 KIAFRO C[NH2+]C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000114349437 562828088 /nfs/dbraw/zinc/82/80/88/562828088.db2.gz RHWHWWRJINHZQN-NRFANRHFSA-N 1 0 519.403 4.116 1 0 KIAFRO COc1ccc(C(=O)Nc2cccc([C@@H](CC[NH+](C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1F ZINC000114349918 562828085 /nfs/dbraw/zinc/82/80/85/562828085.db2.gz FPDMCBWYLQMASE-HSZRJFAPSA-N 1 0 516.577 4.234 1 0 KIAFRO COc1ccc(C(=O)Nc2cccc([C@H](CC[NH+](C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1F ZINC000114349920 562828084 /nfs/dbraw/zinc/82/80/84/562828084.db2.gz FPDMCBWYLQMASE-QHCPKHFHSA-N 1 0 516.577 4.234 1 0 KIAFRO COc1ccc(C(=O)Nc2cccc([C@@H](CC[NH+]3CCC3)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000114350235 562828089 /nfs/dbraw/zinc/82/80/89/562828089.db2.gz OPQNQTLSYVBRSX-RUZDIDTESA-N 1 0 510.598 4.239 1 0 KIAFRO COc1ccc(C(=O)Nc2cccc([C@H](CC[NH+]3CCC3)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000114350236 562828125 /nfs/dbraw/zinc/82/81/25/562828125.db2.gz OPQNQTLSYVBRSX-VWLOTQADSA-N 1 0 510.598 4.239 1 0 KIAFRO COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)[NH3+])nnc2[C@@H](Cc2ccccc2)NC(C)=O)cc1 ZINC000114496756 562828203 /nfs/dbraw/zinc/82/82/03/562828203.db2.gz RFENXHFGTAFVTC-LOYHVIPDSA-N 1 0 593.732 4.374 1 0 KIAFRO O=S(=O)(NCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000114599901 562828378 /nfs/dbraw/zinc/82/83/78/562828378.db2.gz XRUQWQMSCMPGRN-UHFFFAOYSA-N 1 0 501.502 4.414 1 0 KIAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CC[N@H+](CCO)CC2 ZINC000114782573 562828493 /nfs/dbraw/zinc/82/84/93/562828493.db2.gz CADNXFFPEKAFHJ-UHFFFAOYSA-N 1 0 546.093 4.201 1 0 KIAFRO CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3cccc(Cl)c3)CCC1)N(CC[NH3+])CC2 ZINC000114978601 562828585 /nfs/dbraw/zinc/82/85/85/562828585.db2.gz RXTIKBRZTNFWFZ-VWLOTQADSA-N 1 0 506.112 4.028 1 0 KIAFRO CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3cccc(Cl)c3)CCC1)N(CC[NH3+])CC2 ZINC000114978606 562828576 /nfs/dbraw/zinc/82/85/76/562828576.db2.gz RXTIKBRZTNFWFZ-RUZDIDTESA-N 1 0 506.112 4.028 1 0 KIAFRO O=S(=O)(CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)N1CCOCC1 ZINC000114978686 562828567 /nfs/dbraw/zinc/82/85/67/562828567.db2.gz GYHRGPVLYRDABQ-RUZDIDTESA-N 1 0 505.080 4.080 1 0 KIAFRO O=S(=O)(CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)N1CCOCC1 ZINC000114978687 562828575 /nfs/dbraw/zinc/82/85/75/562828575.db2.gz GYHRGPVLYRDABQ-VWLOTQADSA-N 1 0 505.080 4.080 1 0 KIAFRO O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980012 562828596 /nfs/dbraw/zinc/82/85/96/562828596.db2.gz MBXJWZGUDVXJCA-MUUNZHRXSA-N 1 0 594.133 4.243 1 0 KIAFRO O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980014 562828608 /nfs/dbraw/zinc/82/86/08/562828608.db2.gz MBXJWZGUDVXJCA-NDEPHWFRSA-N 1 0 594.133 4.243 1 0 KIAFRO Cc1oncc1S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980070 562828611 /nfs/dbraw/zinc/82/86/11/562828611.db2.gz IQEIIVJUSIRXBY-DEOSSOPVSA-N 1 0 502.036 4.302 1 0 KIAFRO Cc1oncc1S(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114980072 562828623 /nfs/dbraw/zinc/82/86/23/562828623.db2.gz IQEIIVJUSIRXBY-XMMPIXPASA-N 1 0 502.036 4.302 1 0 KIAFRO COc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1 ZINC000114980179 562828601 /nfs/dbraw/zinc/82/86/01/562828601.db2.gz KWZZDBBESLVAQZ-SANMLTNESA-N 1 0 528.074 4.410 1 0 KIAFRO COc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1 ZINC000114980181 562828599 /nfs/dbraw/zinc/82/85/99/562828599.db2.gz KWZZDBBESLVAQZ-AREMUKBSSA-N 1 0 528.074 4.410 1 0 KIAFRO Nc1ncc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)s1 ZINC000114980225 562828635 /nfs/dbraw/zinc/82/86/35/562828635.db2.gz SOUICFBHPNOJOX-QFIPXVFZSA-N 1 0 519.092 4.045 1 0 KIAFRO Nc1ncc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)s1 ZINC000114980227 562828650 /nfs/dbraw/zinc/82/86/50/562828650.db2.gz SOUICFBHPNOJOX-JOCHJYFZSA-N 1 0 519.092 4.045 1 0 KIAFRO CN1CCOc2cc(S(=O)(=O)NCCOc3ccc4c(c3)[C@@H](C3(c5ccc(Cl)cc5)CCC3)[NH2+]CC4)cnc21 ZINC000114980479 562828648 /nfs/dbraw/zinc/82/86/48/562828648.db2.gz GQGONHQYUORUFQ-MHZLTWQESA-N 1 0 569.127 4.230 1 0 KIAFRO CN1CCOc2cc(S(=O)(=O)NCCOc3ccc4c(c3)[C@H](C3(c5ccc(Cl)cc5)CCC3)[NH2+]CC4)cnc21 ZINC000114980482 562828647 /nfs/dbraw/zinc/82/86/47/562828647.db2.gz GQGONHQYUORUFQ-HHHXNRCGSA-N 1 0 569.127 4.230 1 0 KIAFRO NC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cc1 ZINC000114981992 562828698 /nfs/dbraw/zinc/82/86/98/562828698.db2.gz ZBVVYSUCLROUIR-SANMLTNESA-N 1 0 555.100 4.497 1 0 KIAFRO NC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cc1 ZINC000114981994 562828697 /nfs/dbraw/zinc/82/86/97/562828697.db2.gz ZBVVYSUCLROUIR-AREMUKBSSA-N 1 0 555.100 4.497 1 0 KIAFRO CC(=O)Nc1ncc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)s1 ZINC000114982236 562828695 /nfs/dbraw/zinc/82/86/95/562828695.db2.gz LPALIJFBYNQMSH-DEOSSOPVSA-N 1 0 561.129 4.421 1 0 KIAFRO CC(=O)Nc1ncc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)s1 ZINC000114982239 562828691 /nfs/dbraw/zinc/82/86/91/562828691.db2.gz LPALIJFBYNQMSH-XMMPIXPASA-N 1 0 561.129 4.421 1 0 KIAFRO CCCS(=O)(=O)NCCN(CCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)S(=O)(=O)CCC ZINC000114984743 562828699 /nfs/dbraw/zinc/82/86/99/562828699.db2.gz CBVBCVXKFBVBKZ-NDEPHWFRSA-N 1 0 612.258 4.399 1 0 KIAFRO CCCS(=O)(=O)NCCN(CCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)S(=O)(=O)CCC ZINC000114984745 562828710 /nfs/dbraw/zinc/82/87/10/562828710.db2.gz CBVBCVXKFBVBKZ-MUUNZHRXSA-N 1 0 612.258 4.399 1 0 KIAFRO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3nc(CN4CC[NH+](C)CC4)c[nH]3)c3nccnc23)c1Cl ZINC000115295036 562828812 /nfs/dbraw/zinc/82/88/12/562828812.db2.gz OIOCAEZDOFSWBM-UHFFFAOYSA-N 1 0 556.454 4.344 1 0 KIAFRO CCCc1cc(C[N@H+](C)CC(C)C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 ZINC000115393579 562828861 /nfs/dbraw/zinc/82/88/61/562828861.db2.gz CQEYNOPKCKOTDB-MHZLTWQESA-N 1 0 552.716 4.163 1 0 KIAFRO CCc1cc(-c2noc(-c3cc(C[N@H+](C)CC(C)C)cc(C(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000115400402 562828903 /nfs/dbraw/zinc/82/89/03/562828903.db2.gz DJBSTIZJYUZLHP-MHZLTWQESA-N 1 0 552.716 4.334 1 0 KIAFRO Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2CO)cc(Nc2ccc(C3C[NH+](C)C3)cn2)c1=O ZINC000116053781 562829128 /nfs/dbraw/zinc/82/91/28/562829128.db2.gz LUNJERWWZQMFTJ-UHFFFAOYSA-N 1 0 596.707 4.438 1 0 KIAFRO CC[NH+]1CCN(c2ccc(Nc3cc(-c4cccc(N5CCc6c(cc7n6CCCC7)C5=O)c4CO)cn(C)c3=O)nc2)CC1 ZINC000116054640 562829187 /nfs/dbraw/zinc/82/91/87/562829187.db2.gz JFQBPTJMPIWHRT-UHFFFAOYSA-N 1 0 607.759 4.166 1 0 KIAFRO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CC(C)(C)C5)c2CO)cc(Nc2cc3n(n2)CC[N@H+](C)C3)c1=O ZINC000116055119 562829218 /nfs/dbraw/zinc/82/92/18/562829218.db2.gz ZNNXETORLLRJSI-UHFFFAOYSA-N 1 0 602.736 4.458 1 0 KIAFRO Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)nc(Nc2ccc3c(c2)CC[N@@H+](C)C3)c1=O ZINC000116055152 562829205 /nfs/dbraw/zinc/82/92/05/562829205.db2.gz ANHJHQXCTUZJBH-UHFFFAOYSA-N 1 0 582.680 4.151 1 0 KIAFRO CC[N@@H+]1CCn2nc(Nc3cc(-c4cc(F)cc(N5CCn6c(cc7c6CC(C)(C)C7)C5=O)c4CO)cn(C)c3=O)cc2C1 ZINC000116055389 562829196 /nfs/dbraw/zinc/82/91/96/562829196.db2.gz BVGNIMKXVZGQGZ-UHFFFAOYSA-N 1 0 599.711 4.046 1 0 KIAFRO Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)cc(Nc2ccc(OCC[NH+](C)C)cn2)c1=O ZINC000116056777 562829189 /nfs/dbraw/zinc/82/91/89/562829189.db2.gz SXLJWRCWGZBVSJ-UHFFFAOYSA-N 1 0 600.695 4.103 1 0 KIAFRO Cc1cc(C(=O)N(C)C(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)n1 ZINC000116815478 562829549 /nfs/dbraw/zinc/82/95/49/562829549.db2.gz DYNUOWFKWPVKKC-RUZDIDTESA-N 1 0 540.108 4.426 1 0 KIAFRO CCN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)c1 ZINC000116815889 562829573 /nfs/dbraw/zinc/82/95/73/562829573.db2.gz KSQBKUICOIKPNV-XMMPIXPASA-N 1 0 526.081 4.038 1 0 KIAFRO Cc1cc(C(=O)NCC(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)n1 ZINC000116816239 562829544 /nfs/dbraw/zinc/82/95/44/562829544.db2.gz FNTAOKQFFGXTKD-RUZDIDTESA-N 1 0 540.108 4.332 1 0 KIAFRO Cc1cc(C(=O)NCC2CC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)n1 ZINC000116816278 562829542 /nfs/dbraw/zinc/82/95/42/562829542.db2.gz OUGOQNYEXLDDNI-RUZDIDTESA-N 1 0 538.092 4.086 1 0 KIAFRO CC[C@@H](C)NC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)c1 ZINC000116816420 562829571 /nfs/dbraw/zinc/82/95/71/562829571.db2.gz YCXJKGVLGXQFPR-KBMIEXCESA-N 1 0 540.108 4.474 1 0 KIAFRO CC[C@H](C)NC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)c1 ZINC000116816421 562829558 /nfs/dbraw/zinc/82/95/58/562829558.db2.gz YCXJKGVLGXQFPR-UQBPGWFLSA-N 1 0 540.108 4.474 1 0 KIAFRO CC[NH+](CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 ZINC000117114370 562829685 /nfs/dbraw/zinc/82/96/85/562829685.db2.gz MVOLTRFCSBQACZ-UHFFFAOYSA-N 1 0 509.053 4.417 1 0 KIAFRO Brc1c2nc(N3CC[NH2+]CC3)[nH]c2c(Br)c(Br)c1Br ZINC000117194458 562829672 /nfs/dbraw/zinc/82/96/72/562829672.db2.gz BESNHDPMZJTODF-UHFFFAOYSA-N 1 0 517.845 4.023 1 0 KIAFRO C[NH+]1CCN(c2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)CC1 ZINC000117209228 562829752 /nfs/dbraw/zinc/82/97/52/562829752.db2.gz LETIRTMCWFAJRS-UHFFFAOYSA-N 1 0 531.872 4.365 1 0 KIAFRO Cc1nn(C)cc1S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117342051 562829713 /nfs/dbraw/zinc/82/97/13/562829713.db2.gz PGXJCVQADYKUHT-VWLOTQADSA-N 1 0 515.079 4.048 1 0 KIAFRO Cc1nn(C)cc1S(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117342054 562829740 /nfs/dbraw/zinc/82/97/40/562829740.db2.gz PGXJCVQADYKUHT-RUZDIDTESA-N 1 0 515.079 4.048 1 0 KIAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(N2CCOCC2)nc1 ZINC000117349013 562829770 /nfs/dbraw/zinc/82/97/70/562829770.db2.gz IMAMDSWDHGQWLD-GDLZYMKVSA-N 1 0 583.154 4.238 1 0 KIAFRO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1ccc(N2CCOCC2)nc1 ZINC000117349016 562829761 /nfs/dbraw/zinc/82/97/61/562829761.db2.gz IMAMDSWDHGQWLD-LJAQVGFWSA-N 1 0 583.154 4.238 1 0 KIAFRO Cc1nc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1C ZINC000117355047 562829780 /nfs/dbraw/zinc/82/97/80/562829780.db2.gz JORPSRSHZCJODF-VWLOTQADSA-N 1 0 515.079 4.048 1 0 KIAFRO Cc1nc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1C ZINC000117355053 562829762 /nfs/dbraw/zinc/82/97/62/562829762.db2.gz JORPSRSHZCJODF-RUZDIDTESA-N 1 0 515.079 4.048 1 0 KIAFRO CC(C)(O)C[NH+]1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1 ZINC000117686126 562829831 /nfs/dbraw/zinc/82/98/31/562829831.db2.gz KRFVMCFDNVZXKA-UHFFFAOYSA-N 1 0 504.614 4.265 1 0 KIAFRO Cc1nc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CC[NH+](C)CC4)ccn32)cs1 ZINC000117878535 562829929 /nfs/dbraw/zinc/82/99/29/562829929.db2.gz RGNZQUHYLTVZAO-UHFFFAOYSA-N 1 0 570.723 4.253 1 0 KIAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CCC[NH2+]CC5)ccn43)c12 ZINC000117879222 562829904 /nfs/dbraw/zinc/82/99/04/562829904.db2.gz NIKIYEZYAGVZBN-UHFFFAOYSA-N 1 0 508.630 4.050 1 0 KIAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(O[C@H]5CC[N@H+](C)C5)ccn43)c12 ZINC000117880207 562829883 /nfs/dbraw/zinc/82/98/83/562829883.db2.gz IOENGKMAHFCZTK-QFIPXVFZSA-N 1 0 509.614 4.333 1 0 KIAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(O[C@@H]5CC[N@H+](C)C5)ccn43)c12 ZINC000117880215 562829888 /nfs/dbraw/zinc/82/98/88/562829888.db2.gz IOENGKMAHFCZTK-JOCHJYFZSA-N 1 0 509.614 4.333 1 0 KIAFRO CCc1nn(Cc2cccc(O[C@@H]3CC[NH2+]C[C@H]3F)n2)c2cccc(NC(=O)c3cnc4ccccn43)c12 ZINC000117881533 562829879 /nfs/dbraw/zinc/82/98/79/562829879.db2.gz SCVCVCIZOKLMNU-NTKDMRAZSA-N 1 0 513.577 4.021 1 0 KIAFRO Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CC[NH+](C)CC4)ccn32)n1 ZINC000117881818 562829913 /nfs/dbraw/zinc/82/99/13/562829913.db2.gz JUPOTOIJLKDAPF-UHFFFAOYSA-N 1 0 564.694 4.192 1 0 KIAFRO CCn1ccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CC[NH+](C(C)C)CC4)ccn32)n1 ZINC000117883115 562829886 /nfs/dbraw/zinc/82/98/86/562829886.db2.gz DUPMOGAVEOHSPS-UHFFFAOYSA-N 1 0 595.752 4.483 1 0 KIAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CCN5CC[NH+](C)CC5)ccn43)c12 ZINC000117883430 562829907 /nfs/dbraw/zinc/82/99/07/562829907.db2.gz DOTOQJJAWOWHQF-UHFFFAOYSA-N 1 0 536.684 4.040 1 0 KIAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC[N@@H+]5CC[C@@H](OC)C5)ccn43)c12 ZINC000117883661 562829984 /nfs/dbraw/zinc/82/99/84/562829984.db2.gz BTJQRJYJFRQSRK-XMMPIXPASA-N 1 0 553.667 4.350 1 0 KIAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC[N@@H+]5CC[C@H](OC)C5)ccn43)c12 ZINC000117883665 562829961 /nfs/dbraw/zinc/82/99/61/562829961.db2.gz BTJQRJYJFRQSRK-DEOSSOPVSA-N 1 0 553.667 4.350 1 0 KIAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CCC[NH+]5CCN(C)CC5)ccn43)c12 ZINC000117885375 562829994 /nfs/dbraw/zinc/82/99/94/562829994.db2.gz CFVIPSXMZCYEBV-UHFFFAOYSA-N 1 0 550.711 4.430 1 0 KIAFRO CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(OCC[NH+]5CCCC5)ccn43)c12 ZINC000117891541 562830041 /nfs/dbraw/zinc/83/00/41/562830041.db2.gz DLURWSDCNVGXGS-UHFFFAOYSA-N 1 0 526.645 4.238 1 0 KIAFRO C[NH+]1CCN(CCOc2ccn3c(c2)ncc3C(=O)Nc2cccc3c2c(C2CC2)nn3Cc2ccc(F)cn2)CC1 ZINC000117891927 562830043 /nfs/dbraw/zinc/83/00/43/562830043.db2.gz KTGGFOCXWFDAII-UHFFFAOYSA-N 1 0 568.657 4.022 1 0 KIAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[NH+](CC)CC5)ccn43)c12 ZINC000117892264 562830058 /nfs/dbraw/zinc/83/00/58/562830058.db2.gz BERKCXBJEPTHCW-UHFFFAOYSA-N 1 0 566.710 4.267 1 0 KIAFRO Cn1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCC[NH+]4CCCC4)ccn32)c1=O ZINC000117893846 562830063 /nfs/dbraw/zinc/83/00/63/562830063.db2.gz LPKSFIGZTYXYFQ-UHFFFAOYSA-N 1 0 551.651 4.035 1 0 KIAFRO CC(C)n1ccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CC[NH+](C)CC4)ccn32)n1 ZINC000117895820 562830046 /nfs/dbraw/zinc/83/00/46/562830046.db2.gz OTOOTNLPTXHFGT-UHFFFAOYSA-N 1 0 581.725 4.266 1 0 KIAFRO Cc1ccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CC[NH+](C)CC4)ccn32)cn1 ZINC000117895974 562830008 /nfs/dbraw/zinc/83/00/08/562830008.db2.gz KNUUYJCYOBIOEC-UHFFFAOYSA-N 1 0 564.694 4.192 1 0 KIAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5C[C@H]6CC[C@@H](C5)[N@H+]6C)ccn43)c12 ZINC000117896276 562830001 /nfs/dbraw/zinc/83/00/01/562830001.db2.gz RZVNZCHZRAAISG-PLQXJYEYSA-N 1 0 578.721 4.408 1 0 KIAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CC[NH+](CC)CC5)ccn43)c12 ZINC000117899743 562830084 /nfs/dbraw/zinc/83/00/84/562830084.db2.gz MJHDJRGWGGAQRJ-UHFFFAOYSA-N 1 0 522.657 4.392 1 0 KIAFRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(c1ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc1)C(=O)C2 ZINC000118582885 562830358 /nfs/dbraw/zinc/83/03/58/562830358.db2.gz ZHVBXFKYWPNMKT-GGAORHGYSA-N 1 0 530.677 4.365 1 0 KIAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC5(CC4=O)C[C@H]4CC[C@@H](C5)[NH2+]4)cn3)nc2n1C1CCCC1 ZINC000118589670 562830401 /nfs/dbraw/zinc/83/04/01/562830401.db2.gz BWRSHZDVVSAUGM-WVTGSOKESA-N 1 0 528.661 4.024 1 0 KIAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5C[N@H+](C)C[C@@H]5CC4=O)cn3)nc2n1C1CCCCCC1 ZINC000118590218 562830415 /nfs/dbraw/zinc/83/04/15/562830415.db2.gz QHKSOUNRROAMGU-SFTDATJTSA-N 1 0 530.677 4.082 1 0 KIAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)[NH2+]5)cn3)nc2n1-c1cccc(C(C)(C)C)c1 ZINC000118592620 562830441 /nfs/dbraw/zinc/83/04/41/562830441.db2.gz WBCAOAIDJLJRCZ-ZRZAMGCNSA-N 1 0 552.683 4.135 1 0 KIAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)[NH2+]5)cn3)nc2n1-c1ccc(C(C)(C)C)cc1 ZINC000118592979 562830427 /nfs/dbraw/zinc/83/04/27/562830427.db2.gz VTSDFHMWTKRCAL-ZRZAMGCNSA-N 1 0 552.683 4.135 1 0 KIAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@]5(CCC[N@H+](C)CC5)OC4=O)cn3)nc2n1C1CCCC1 ZINC000118593957 562830436 /nfs/dbraw/zinc/83/04/36/562830436.db2.gz ALPLOEBOODOLJY-NDEPHWFRSA-N 1 0 532.649 4.198 1 0 KIAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@]5(CCC[N@H+](C)CC5)OC4=O)cn3)nc2n1C1CCCC1 ZINC000118593959 562830449 /nfs/dbraw/zinc/83/04/49/562830449.db2.gz ALPLOEBOODOLJY-MUUNZHRXSA-N 1 0 532.649 4.198 1 0 KIAFRO Cc1c(C(=O)NCCC[NH+](C)C)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CC(C)(C)O)c12 ZINC000118738678 562830535 /nfs/dbraw/zinc/83/05/35/562830535.db2.gz NOFQCRGGNDFJDD-HNNXBMFYSA-N 1 0 503.644 4.492 1 0 KIAFRO Cc1c(C(=O)NCCC[NH+](C)C)sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CC(C)(C)O)c12 ZINC000118738681 562830538 /nfs/dbraw/zinc/83/05/38/562830538.db2.gz NOFQCRGGNDFJDD-OAHLLOKOSA-N 1 0 503.644 4.492 1 0 KIAFRO COc1ccc(CCC(=O)N2CCC3(C[NH+]([C@@H]4CCc5cc(-c6cc(C)ncn6)ccc54)C3)CC2)c(C(N)=O)c1 ZINC000118885896 562830824 /nfs/dbraw/zinc/83/08/24/562830824.db2.gz DQSTWVNGNJSKPR-GDLZYMKVSA-N 1 0 539.680 4.104 1 0 KIAFRO CCn1nc(CC(=O)N2CCC3(C[NH+]([C@@H]4CCc5cc(-c6cc(C)ncn6)ccc54)C3)CC2)c2cccnc21 ZINC000118906354 562830826 /nfs/dbraw/zinc/83/08/26/562830826.db2.gz DWSZMRNLAZPKCF-MUUNZHRXSA-N 1 0 521.669 4.371 1 0 KIAFRO Cc1cn2cc(CC(=O)N3CCC4(C[NH+]([C@@H]5CCc6cc(-c7ccc(C(N)=O)nc7)ccc65)C4)CC3)nc2s1 ZINC000118910293 562830788 /nfs/dbraw/zinc/83/07/88/562830788.db2.gz YXWNHDGDJFGTHE-AREMUKBSSA-N 1 0 540.693 4.020 1 0 KIAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCN(C(=O)[C@@H]6CCCN6C(=O)C6CCCCC6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000135912583 562831097 /nfs/dbraw/zinc/83/10/97/562831097.db2.gz JGWZRKHVYBWTRR-CMDDEGKBSA-N 1 0 583.858 4.445 1 0 KIAFRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000136093290 562831125 /nfs/dbraw/zinc/83/11/25/562831125.db2.gz ALWTVFUIPPAQBH-ACHIHNKUSA-N 1 0 612.771 4.189 1 0 KIAFRO COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(CC2)C2(C1)OCCO2 ZINC000137136675 562831365 /nfs/dbraw/zinc/83/13/65/562831365.db2.gz OXWUWXCJDBRCCG-UHFFFAOYSA-N 1 0 500.958 4.392 1 0 in-man KIAFRO CNC(=O)[C@@H]1CCCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1 ZINC000137362611 562831440 /nfs/dbraw/zinc/83/14/40/562831440.db2.gz KIAURGGQAXXCJA-YWEHKCAJSA-N 1 0 597.826 4.215 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH+]1CCCCC1)ncnc2Nc1ccc(Br)cc1F ZINC000137847941 562831574 /nfs/dbraw/zinc/83/15/74/562831574.db2.gz RHGWXTYSJLZTBJ-UHFFFAOYSA-N 1 0 571.451 4.380 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)/C=C/C[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000137911443 562831687 /nfs/dbraw/zinc/83/16/87/562831687.db2.gz RBVDARIRGNJNFG-AATRIKPKSA-N 1 0 557.424 4.012 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCC(=O)NCC[NH+](CC)CC)ncnc2Nc1ccc(Br)cc1F ZINC000137927064 562831691 /nfs/dbraw/zinc/83/16/91/562831691.db2.gz JLWNHWBYVLABOU-UHFFFAOYSA-N 1 0 559.440 4.236 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CCC[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000137927162 562831684 /nfs/dbraw/zinc/83/16/84/562831684.db2.gz VWJOQIGDVVMABO-UHFFFAOYSA-N 1 0 559.440 4.236 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@@H](C)C[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000137934868 562831662 /nfs/dbraw/zinc/83/16/62/562831662.db2.gz HEYAJCDUBCQMPG-HNNXBMFYSA-N 1 0 559.440 4.092 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@H](C)C[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000137934953 562831663 /nfs/dbraw/zinc/83/16/63/562831663.db2.gz HEYAJCDUBCQMPG-OAHLLOKOSA-N 1 0 559.440 4.092 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[C@H](C)[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000137935041 562831656 /nfs/dbraw/zinc/83/16/56/562831656.db2.gz AVINRNFZBJEYNB-HNNXBMFYSA-N 1 0 559.440 4.235 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[C@@H](C)[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000137935106 562831697 /nfs/dbraw/zinc/83/16/97/562831697.db2.gz AVINRNFZBJEYNB-OAHLLOKOSA-N 1 0 559.440 4.235 1 0 KIAFRO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(c2c(F)cc(F)cc2F)=N[C@@H]1c1ccc(F)cc1Cl ZINC000138136916 562831763 /nfs/dbraw/zinc/83/17/63/562831763.db2.gz WEOHKGOGJNVULO-HSZRJFAPSA-N 1 0 524.946 4.052 1 0 KIAFRO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(c2c(F)cc(F)cc2F)=N[C@H]1c1ccc(F)cc1Cl ZINC000138137004 562831732 /nfs/dbraw/zinc/83/17/32/562831732.db2.gz WEOHKGOGJNVULO-QHCPKHFHSA-N 1 0 524.946 4.052 1 0 KIAFRO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)NC(c2c(F)cc(F)cc2F)=N[C@H]1c1ccc(F)cc1Cl ZINC000138153127 562831740 /nfs/dbraw/zinc/83/17/40/562831740.db2.gz RNRAXHZXOYDCRI-DEOSSOPVSA-N 1 0 538.973 4.442 1 0 KIAFRO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)NC(c2c(F)cc(F)cc2F)=N[C@@H]1c1ccc(F)cc1Cl ZINC000138153249 562831728 /nfs/dbraw/zinc/83/17/28/562831728.db2.gz RNRAXHZXOYDCRI-XMMPIXPASA-N 1 0 538.973 4.442 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(OC)C3)n1 ZINC000138445413 562831860 /nfs/dbraw/zinc/83/18/60/562831860.db2.gz CNUNVUKQXNTVPZ-UHFFFAOYSA-N 1 0 586.571 4.381 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138456835 562831921 /nfs/dbraw/zinc/83/19/21/562831921.db2.gz ZVSUJYVRACIWFZ-UHFFFAOYSA-N 1 0 537.020 4.084 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(OC)C3)n1 ZINC000138465729 562831905 /nfs/dbraw/zinc/83/19/05/562831905.db2.gz ZFIFPUFUUHMFAU-UHFFFAOYSA-N 1 0 571.009 4.155 1 0 KIAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138475718 562831938 /nfs/dbraw/zinc/83/19/38/562831938.db2.gz ODLPCAHPTIDIST-UHFFFAOYSA-N 1 0 528.535 4.377 1 0 KIAFRO COc1cc(C(=O)NCC[NH+](C)C)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138486361 562831907 /nfs/dbraw/zinc/83/19/07/562831907.db2.gz OVQQDUQZWDFUAO-UHFFFAOYSA-N 1 0 562.524 4.056 1 0 KIAFRO COc1cc(C(=O)NCC[NH+](C)C)c(C)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138504499 562832014 /nfs/dbraw/zinc/83/20/14/562832014.db2.gz IBXXCTLKLXYBFZ-UHFFFAOYSA-N 1 0 558.561 4.225 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2N(C)S(C)(=O)=O)n1 ZINC000138518059 562832001 /nfs/dbraw/zinc/83/20/01/562832001.db2.gz VQASYMPGACLNFT-UHFFFAOYSA-N 1 0 608.643 4.260 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2N(C)S(C)(=O)=O)n1 ZINC000138528350 562832005 /nfs/dbraw/zinc/83/20/05/562832005.db2.gz SMJSJTGZUYUEOX-UHFFFAOYSA-N 1 0 626.633 4.399 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cc(F)ccc2NS(C)(=O)=O)n1 ZINC000138528471 562832054 /nfs/dbraw/zinc/83/20/54/562832054.db2.gz ZXPHTEZZEUECNB-UHFFFAOYSA-N 1 0 612.606 4.375 1 0 KIAFRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3[NH+]2CCN(CCO)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138960288 562832258 /nfs/dbraw/zinc/83/22/58/562832258.db2.gz JXVHQHBMOSSYBX-PMERELPUSA-N 1 0 549.679 4.440 1 0 KIAFRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3[NH+]2CCN(CCO)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138960392 562832245 /nfs/dbraw/zinc/83/22/45/562832245.db2.gz JXVHQHBMOSSYBX-SSEXGKCCSA-N 1 0 549.679 4.440 1 0 KIAFRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3[NH+]2CCN(C)CC2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000138960747 562832261 /nfs/dbraw/zinc/83/22/61/562832261.db2.gz IQOAIXAFDYRGNK-NDEPHWFRSA-N 1 0 520.641 4.473 1 0 KIAFRO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3[NH+]2CCN(C)CC2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000138960882 562832232 /nfs/dbraw/zinc/83/22/32/562832232.db2.gz IQOAIXAFDYRGNK-MUUNZHRXSA-N 1 0 520.641 4.473 1 0 KIAFRO CCOC(=O)CN(Cc1ccccc1)c1ccc2c(c1)O[C@](C)(COc1ccc(C(N)=[NH2+])cc1)CN2C ZINC000139076111 562832335 /nfs/dbraw/zinc/83/23/35/562832335.db2.gz RYOHTLPDVCSHSF-LJAQVGFWSA-N 1 0 502.615 4.207 1 0 KIAFRO COc1cc(C(C)C)c(Oc2cnc(NC(=O)C[NH2+]C3CCCCC3)nc2N)cc1I ZINC000139141269 562832356 /nfs/dbraw/zinc/83/23/56/562832356.db2.gz ROTZZYQXKQYKEN-UHFFFAOYSA-N 1 0 539.418 4.449 1 0 KIAFRO CCC(CC)[NH2+]CC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1 ZINC000139141535 562832395 /nfs/dbraw/zinc/83/23/95/562832395.db2.gz UUBMKXSMGNTTLX-UHFFFAOYSA-N 1 0 527.407 4.304 1 0 KIAFRO CCOC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)C1)C1CCCCC1 ZINC000139277732 562832402 /nfs/dbraw/zinc/83/24/02/562832402.db2.gz YACOWXLDNACKBP-SGIRGMQISA-N 1 0 514.711 4.036 1 0 KIAFRO Cc1c(-c2cc(Nc3cc4n(n3)CC[N@@H+](C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2cccnc2s1 ZINC000139324489 562832416 /nfs/dbraw/zinc/83/24/16/562832416.db2.gz VAGVVMNSGHHXHT-UHFFFAOYSA-N 1 0 530.589 4.132 1 0 KIAFRO CC(C)[N@H+](C)Cc1cc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)ccc1F ZINC000139423784 562832446 /nfs/dbraw/zinc/83/24/46/562832446.db2.gz JDNSMGMIXVYTSO-PMACEKPBSA-N 1 0 508.642 4.121 1 0 KIAFRO CCCC[NH2+]Cc1cc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)ccc1OC ZINC000139437206 562832469 /nfs/dbraw/zinc/83/24/69/562832469.db2.gz CTIXTOXZXGACFK-SFTDATJTSA-N 1 0 520.678 4.040 1 0 KIAFRO [NH3+]C1CCN(c2ccc(-c3ccn4c(c3)ncc4-c3cccc(NC(=O)NCC(F)(F)F)c3)nn2)CC1 ZINC000139536173 562832578 /nfs/dbraw/zinc/83/25/78/562832578.db2.gz YBVLJFZBRWBLPQ-UHFFFAOYSA-N 1 0 510.524 4.070 1 0 KIAFRO CN(CC[N@H+](CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2C)Cc1ccncc1)C(=O)c1ccccc1 ZINC000139536362 562832573 /nfs/dbraw/zinc/83/25/73/562832573.db2.gz RPDYYOMCLHMHDO-UHFFFAOYSA-N 1 0 557.695 4.090 1 0 KIAFRO CCN1c2ccc(OCCC[N@H+](CCn3ccc4occc4c3=O)Cc3cccnc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139580816 562832623 /nfs/dbraw/zinc/83/26/23/562832623.db2.gz CVPXSNZJVBVYFQ-UHFFFAOYSA-N 1 0 571.678 4.316 1 0 KIAFRO O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(OC5CC[NH2+]CC5)nn4)ccn32)c1 ZINC000139583726 562832672 /nfs/dbraw/zinc/83/26/72/562832672.db2.gz PHRHRITUXCQCKS-UHFFFAOYSA-N 1 0 511.508 4.273 1 0 KIAFRO Cc1c(-c2cc(Nc3cc4n(n3)CC[N@@H+](C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2ncccc2s1 ZINC000139592004 562832661 /nfs/dbraw/zinc/83/26/61/562832661.db2.gz KTOBNTQUYIOYAS-UHFFFAOYSA-N 1 0 530.589 4.132 1 0 KIAFRO O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(O[C@@H]5CCC[NH2+]C5)nn4)ccn32)c1 ZINC000139620519 562832713 /nfs/dbraw/zinc/83/27/13/562832713.db2.gz YWXPUULEEPYBOI-LJQANCHMSA-N 1 0 511.508 4.273 1 0 KIAFRO O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(O[C@H]5CCC[NH2+]C5)nn4)ccn32)c1 ZINC000139620655 562832716 /nfs/dbraw/zinc/83/27/16/562832716.db2.gz YWXPUULEEPYBOI-IBGZPJMESA-N 1 0 511.508 4.273 1 0 KIAFRO COc1cc(C(C)C)c(Oc2cnc(NC(=O)C[NH2+]C3CCCC3)nc2N)cc1I ZINC000139751817 562832727 /nfs/dbraw/zinc/83/27/27/562832727.db2.gz QQPIXGVUCXQGLR-UHFFFAOYSA-N 1 0 525.391 4.058 1 0 KIAFRO COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CCCCC3)nc2N)cc1I ZINC000139800501 562832774 /nfs/dbraw/zinc/83/27/74/562832774.db2.gz KBTXPPVYPDMZOZ-UHFFFAOYSA-N 1 0 525.391 4.012 1 0 KIAFRO COc1cc(-c2nn([C@H]3CC[C@@H]([NH+]4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NCc1ccccc1 ZINC000140343942 562833039 /nfs/dbraw/zinc/83/30/39/562833039.db2.gz FXQFQTDJCPCULX-RQNOJGIXSA-N 1 0 526.689 4.427 1 0 KIAFRO COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OC[C@H](C)OC(=O)[C@@H]([NH3+])C(C)C ZINC000140525361 562833096 /nfs/dbraw/zinc/83/30/96/562833096.db2.gz ZRQRCFWNIODEBF-GKVSMKOHSA-N 1 0 525.005 4.108 1 0 KIAFRO COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OC[C@@H](C)OC(=O)[C@@H]([NH3+])C(C)C ZINC000140525540 562833125 /nfs/dbraw/zinc/83/31/25/562833125.db2.gz ZRQRCFWNIODEBF-NSYGIPOTSA-N 1 0 525.005 4.108 1 0 KIAFRO C[C@H]1CCC[N@@H+]1C1CCN(c2ccc(N3CCC4(CCN(S(=O)(=O)c5ccccc5)CC4)C3=O)cc2)CC1 ZINC000140533544 562833129 /nfs/dbraw/zinc/83/31/29/562833129.db2.gz JYGAXAVLOAJTOP-DEOSSOPVSA-N 1 0 536.742 4.348 1 0 KIAFRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCC[N@@H+](C)CC3)nc12 ZINC000140566340 562833198 /nfs/dbraw/zinc/83/31/98/562833198.db2.gz WZWPMUMDPQTZGW-UHFFFAOYSA-N 1 0 551.577 4.467 1 0 KIAFRO COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OC[C@H](OC(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000140570467 562833181 /nfs/dbraw/zinc/83/31/81/562833181.db2.gz APBJPNDRVFUYRP-SVBPBHIXSA-N 1 0 551.043 4.498 1 0 KIAFRO COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OC[C@@H](OC(=O)[C@@H]([NH3+])C(C)C)C1CC1 ZINC000140570812 562833145 /nfs/dbraw/zinc/83/31/45/562833145.db2.gz APBJPNDRVFUYRP-SXOMAYOGSA-N 1 0 551.043 4.498 1 0 KIAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCC[NH2+]CC3)nc12 ZINC000140578133 562833175 /nfs/dbraw/zinc/83/31/75/562833175.db2.gz MCVAVAFYRYORJR-UHFFFAOYSA-N 1 0 537.550 4.125 1 0 KIAFRO C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCCC4(CCN(C(=O)C5CCOCC5)CC4)C3=O)c(F)c2)C1 ZINC000140605043 562833218 /nfs/dbraw/zinc/83/32/18/562833218.db2.gz ICTMQFIKZRATLG-DHLKQENFSA-N 1 0 526.697 4.051 1 0 KIAFRO Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3CC[NH+]2CCCC2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000140621802 562833223 /nfs/dbraw/zinc/83/32/23/562833223.db2.gz XXYQSSDFWBLBOF-UHFFFAOYSA-N 1 0 621.746 4.281 1 0 KIAFRO [NH3+][C@H](CO)c1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1 ZINC000140648295 562833241 /nfs/dbraw/zinc/83/32/41/562833241.db2.gz ISPBEDINGCMJIK-NFBKMPQASA-N 1 0 540.542 4.057 1 0 KIAFRO C[C@H]1CCCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(S(=O)(=O)c5ccc(F)cc5)CC4)C3=O)cc2)C1 ZINC000140652575 562833209 /nfs/dbraw/zinc/83/32/09/562833209.db2.gz FAQKUKDPVKOSEV-HOFKKMOUSA-N 1 0 554.732 4.487 1 0 KIAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 ZINC000140655324 562833233 /nfs/dbraw/zinc/83/32/33/562833233.db2.gz CZDOCIIKDNPQOO-AWDZXFJFSA-N 1 0 577.685 4.266 1 0 KIAFRO Cc1c(C(=O)NCCC[NH+](C)C)sc2ncnc(Nc3ccc(C(F)(F)F)nc3OC3CCOCC3)c12 ZINC000140669170 562833266 /nfs/dbraw/zinc/83/32/66/562833266.db2.gz IEPPUFLBHOABDC-UHFFFAOYSA-N 1 0 538.596 4.396 1 0 KIAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H]([NH+]2CCCC2)CC3)cn1 ZINC000140758519 562833303 /nfs/dbraw/zinc/83/33/03/562833303.db2.gz OQJVLVLEMGQWNT-SVBPBHIXSA-N 1 0 529.106 4.168 1 0 KIAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H]([NH+]2CCCC2)CC3)cn1 ZINC000140758687 562833278 /nfs/dbraw/zinc/83/32/78/562833278.db2.gz OQJVLVLEMGQWNT-RRPNLBNLSA-N 1 0 529.106 4.168 1 0 KIAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H]([NH+]2CCCC2)CC3)cn1 ZINC000140758837 562833281 /nfs/dbraw/zinc/83/32/81/562833281.db2.gz OQJVLVLEMGQWNT-SXOMAYOGSA-N 1 0 529.106 4.168 1 0 KIAFRO Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H]([NH+]2CCCC2)CC3)cn1 ZINC000140759019 562833290 /nfs/dbraw/zinc/83/32/90/562833290.db2.gz OQJVLVLEMGQWNT-KAYWLYCHSA-N 1 0 529.106 4.168 1 0 KIAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H]([NH+]2CCCC2)CC3)c1 ZINC000140765622 562833299 /nfs/dbraw/zinc/83/32/99/562833299.db2.gz YANBZTRCURCIGC-UIOOFZCWSA-N 1 0 529.106 4.168 1 0 KIAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H]([NH+]2CCCC2)CC3)c1 ZINC000140765796 562833292 /nfs/dbraw/zinc/83/32/92/562833292.db2.gz YANBZTRCURCIGC-IZZNHLLZSA-N 1 0 529.106 4.168 1 0 KIAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H]([NH+]2CCCC2)CC3)c1 ZINC000140765977 562833304 /nfs/dbraw/zinc/83/33/04/562833304.db2.gz YANBZTRCURCIGC-FTJBHMTQSA-N 1 0 529.106 4.168 1 0 KIAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H]([NH+]2CCCC2)CC3)c1 ZINC000140766149 562833279 /nfs/dbraw/zinc/83/32/79/562833279.db2.gz YANBZTRCURCIGC-CLJLJLNGSA-N 1 0 529.106 4.168 1 0 KIAFRO CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2C[NH2+]CCO2)s1 ZINC000140974028 562833443 /nfs/dbraw/zinc/83/34/43/562833443.db2.gz VEEBDDVPCWFAEJ-ARSAIXRZSA-N 1 0 527.609 4.153 1 0 KIAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2C[S@@](=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1 ZINC000141058761 562833434 /nfs/dbraw/zinc/83/34/34/562833434.db2.gz JJZNHUUZTYYRMQ-KYJTYKTMSA-N 1 0 516.601 4.087 1 0 KIAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 ZINC000141064420 562833455 /nfs/dbraw/zinc/83/34/55/562833455.db2.gz OGYMZMABCUKWQD-TWFMJERGSA-N 1 0 533.779 4.016 1 0 KIAFRO COc1cc(C(=O)NCC[NH+](C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000141192362 562833560 /nfs/dbraw/zinc/83/35/60/562833560.db2.gz BMUAKNQPEKIDIX-UHFFFAOYSA-N 1 0 532.048 4.340 1 0 KIAFRO CC[NH+]1CCC(CN2C[C@@H](C(C)C)N(c3ccn4ncc(-c5ccc(-c6nnc[nH]6)c(F)c5)c4n3)C2=O)CC1 ZINC000141224071 562833518 /nfs/dbraw/zinc/83/35/18/562833518.db2.gz QMKVCZDJHJYTJZ-DEOSSOPVSA-N 1 0 531.640 4.319 1 0 KIAFRO CC[NH+]1CCC(CN2C[C@H](C(C)C)N(c3ccn4ncc(-c5ccc(-c6nnc[nH]6)c(F)c5)c4n3)C2=O)CC1 ZINC000141224235 562833522 /nfs/dbraw/zinc/83/35/22/562833522.db2.gz QMKVCZDJHJYTJZ-XMMPIXPASA-N 1 0 531.640 4.319 1 0 KIAFRO COc1cccc([C@@H]2CN(c3nc(-c4cccnc4)nc4c3CN(C(=O)Nc3ccccc3)CC4)CC[NH2+]2)c1 ZINC000141856540 562833822 /nfs/dbraw/zinc/83/38/22/562833822.db2.gz HUNMEYPZMVCHFV-MHZLTWQESA-N 1 0 521.625 4.288 1 0 KIAFRO COc1cccc([C@H]2CN(c3nc(-c4cccnc4)nc4c3CN(C(=O)Nc3ccccc3)CC4)CC[NH2+]2)c1 ZINC000141856753 562833810 /nfs/dbraw/zinc/83/38/10/562833810.db2.gz HUNMEYPZMVCHFV-HHHXNRCGSA-N 1 0 521.625 4.288 1 0 KIAFRO Cc1cc(Nc2cc(N3CCN(CC[NH3+])CC3)cc[nH+]2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142032695 562833925 /nfs/dbraw/zinc/83/39/25/562833925.db2.gz BMVADLQFFGSIDJ-WJOKGBTCSA-N 1 0 585.734 4.003 1 0 KIAFRO Cc1cc(Nc2cc(N3CCN(CC[NH3+])CC3)cc[nH+]2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142032881 562833931 /nfs/dbraw/zinc/83/39/31/562833931.db2.gz BMVADLQFFGSIDJ-HKBQPEDESA-N 1 0 585.734 4.003 1 0 KIAFRO Cc1cc(Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142068116 562833915 /nfs/dbraw/zinc/83/39/15/562833915.db2.gz PANGETTYTUWTFZ-GDLZYMKVSA-N 1 0 542.665 4.332 1 0 KIAFRO Cc1cc(Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142068333 562833918 /nfs/dbraw/zinc/83/39/18/562833918.db2.gz PANGETTYTUWTFZ-LJAQVGFWSA-N 1 0 542.665 4.332 1 0 KIAFRO CC[NH2+][C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142166318 562833968 /nfs/dbraw/zinc/83/39/68/562833968.db2.gz IKUNLQOHBNKFEO-XUZZJYLKSA-N 1 0 537.513 4.335 1 0 KIAFRO CC[NH2+][C@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142166533 562833996 /nfs/dbraw/zinc/83/39/96/562833996.db2.gz IKUNLQOHBNKFEO-URXFXBBRSA-N 1 0 537.513 4.335 1 0 KIAFRO CC[NH2+][C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142166737 562833982 /nfs/dbraw/zinc/83/39/82/562833982.db2.gz IKUNLQOHBNKFEO-ZJSXRUAMSA-N 1 0 537.513 4.335 1 0 KIAFRO CC[NH2+][C@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142166945 562833966 /nfs/dbraw/zinc/83/39/66/562833966.db2.gz IKUNLQOHBNKFEO-QPPBQGQZSA-N 1 0 537.513 4.335 1 0 KIAFRO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000142445060 562834218 /nfs/dbraw/zinc/83/42/18/562834218.db2.gz YIIREBCUCVVAIY-JOCHJYFZSA-N 1 0 537.035 4.461 1 0 KIAFRO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3ccccc3)cc2)CC1 ZINC000142451091 562834201 /nfs/dbraw/zinc/83/42/01/562834201.db2.gz TWFINIJCRDJMKR-HSZRJFAPSA-N 1 0 519.045 4.322 1 0 KIAFRO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000142460086 562834205 /nfs/dbraw/zinc/83/42/05/562834205.db2.gz YDUJRZJIOJAZTL-JOCHJYFZSA-N 1 0 537.035 4.461 1 0 KIAFRO Cc1cc(CS(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)c(Cl)c2)[C@H]([NH3+])CC3)no1 ZINC000142759341 562834324 /nfs/dbraw/zinc/83/43/24/562834324.db2.gz GXEMEGBZPXHNIU-XUZZJYLKSA-N 1 0 524.470 4.388 1 0 KIAFRO Cc1cc(CS(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)c(Cl)c2)[C@@H]([NH3+])CC3)no1 ZINC000142759540 562834314 /nfs/dbraw/zinc/83/43/14/562834314.db2.gz GXEMEGBZPXHNIU-URXFXBBRSA-N 1 0 524.470 4.388 1 0 KIAFRO Cc1cc(CS(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@H]([NH3+])CC3)no1 ZINC000142759747 562834329 /nfs/dbraw/zinc/83/43/29/562834329.db2.gz GXEMEGBZPXHNIU-ZJSXRUAMSA-N 1 0 524.470 4.388 1 0 KIAFRO Cc1cc(CS(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@@H]([NH3+])CC3)no1 ZINC000142759966 562834313 /nfs/dbraw/zinc/83/43/13/562834313.db2.gz GXEMEGBZPXHNIU-QPPBQGQZSA-N 1 0 524.470 4.388 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2NS(C)(=O)=O)n1 ZINC000142845866 562834370 /nfs/dbraw/zinc/83/43/70/562834370.db2.gz FHYNMNAJFXUBKP-UHFFFAOYSA-N 1 0 594.616 4.235 1 0 KIAFRO CN(c1ccccc1CNc1cccn2nc(Nc3ccc4c(c3)CC[C@@H]([NH+]3CCOCC3)CC4)nc12)S(C)(=O)=O ZINC000142860274 562834366 /nfs/dbraw/zinc/83/43/66/562834366.db2.gz DZJALNXETIVWPB-SANMLTNESA-N 1 0 575.739 4.060 1 0 KIAFRO Cc1nc(C)c(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H]([NH3+])CC3)s1 ZINC000142905780 562834379 /nfs/dbraw/zinc/83/43/79/562834379.db2.gz HTDBTSXFIVYBHE-XZOQPEGZSA-N 1 0 506.093 4.370 1 0 KIAFRO Cc1nc(C)c(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H]([NH3+])CC3)s1 ZINC000142905951 562834412 /nfs/dbraw/zinc/83/44/12/562834412.db2.gz HTDBTSXFIVYBHE-GOTSBHOMSA-N 1 0 506.093 4.370 1 0 KIAFRO Cc1nc(C)c(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H]([NH3+])CC3)s1 ZINC000142906099 562834396 /nfs/dbraw/zinc/83/43/96/562834396.db2.gz HTDBTSXFIVYBHE-DHIUTWEWSA-N 1 0 506.093 4.370 1 0 KIAFRO Cc1nc(C)c(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H]([NH3+])CC3)s1 ZINC000142906243 562834394 /nfs/dbraw/zinc/83/43/94/562834394.db2.gz HTDBTSXFIVYBHE-PKTZIBPZSA-N 1 0 506.093 4.370 1 0 KIAFRO CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(cc[nH+]c3N)c1)c1ccc(cc1)CCCC(=O)N2 ZINC000142906431 562834410 /nfs/dbraw/zinc/83/44/10/562834410.db2.gz JODGCVISYXBBJZ-MUUNZHRXSA-N 1 0 557.676 4.355 1 0 KIAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccccc2Cl)[C@@H]([NH+]2CCCC2)CC3)c1 ZINC000142926808 562834382 /nfs/dbraw/zinc/83/43/82/562834382.db2.gz YOKAFKCFHULDCV-AHWVRZQESA-N 1 0 529.106 4.168 1 0 KIAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccccc2Cl)[C@H]([NH+]2CCCC2)CC3)c1 ZINC000142927024 562834401 /nfs/dbraw/zinc/83/44/01/562834401.db2.gz YOKAFKCFHULDCV-AZGAKELHSA-N 1 0 529.106 4.168 1 0 KIAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccccc2Cl)[C@@H]([NH+]2CCCC2)CC3)c1 ZINC000142927260 562834416 /nfs/dbraw/zinc/83/44/16/562834416.db2.gz YOKAFKCFHULDCV-RSXGOPAZSA-N 1 0 529.106 4.168 1 0 KIAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccccc2Cl)[C@H]([NH+]2CCCC2)CC3)c1 ZINC000142927470 562834414 /nfs/dbraw/zinc/83/44/14/562834414.db2.gz YOKAFKCFHULDCV-AOYPEHQESA-N 1 0 529.106 4.168 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OC[C@H](C)NC(=O)C[NH+](C)C)ncnc2Nc1ccc(Br)c(Cl)c1F ZINC000142988025 562834441 /nfs/dbraw/zinc/83/44/41/562834441.db2.gz GRBIBILPWGFKCS-ZDUSSCGKSA-N 1 0 579.858 4.498 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH+](C)C)ncnc2Nc1cc(Cl)c(Cl)cc1F ZINC000143019351 562834475 /nfs/dbraw/zinc/83/44/75/562834475.db2.gz SHRZDXFZUPQARN-UHFFFAOYSA-N 1 0 521.380 4.000 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000143032355 562834482 /nfs/dbraw/zinc/83/44/82/562834482.db2.gz RGRKUBYCWFMSQV-UHFFFAOYSA-N 1 0 537.668 4.143 1 0 KIAFRO COc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc1-2 ZINC000143041609 562834550 /nfs/dbraw/zinc/83/45/50/562834550.db2.gz PZIUNIWFXVXPTE-UHFFFAOYSA-N 1 0 553.667 4.228 1 0 KIAFRO COc1cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000143081896 562834525 /nfs/dbraw/zinc/83/45/25/562834525.db2.gz JUJYKELQMNMZLG-VWLOTQADSA-N 1 0 535.652 4.219 1 0 KIAFRO COc1cc(C(=O)NCC[NH+]2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000143082373 562834603 /nfs/dbraw/zinc/83/46/03/562834603.db2.gz DGSYDYPSGIPFRM-UHFFFAOYSA-N 1 0 523.641 4.221 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](CCO)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143085482 562834595 /nfs/dbraw/zinc/83/45/95/562834595.db2.gz LCTZWTBBOYMFFR-UHFFFAOYSA-N 1 0 588.112 4.235 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCCC[NH2+]CC(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000143091260 562834587 /nfs/dbraw/zinc/83/45/87/562834587.db2.gz JCZWCPLKQPNPTP-UHFFFAOYSA-N 1 0 516.371 4.347 1 0 KIAFRO COCC[NH+]1CCC(NC(=O)c2cc(OC)c(Nc3ncc4c(n3)-c3c(nn(C)c3C(C)C)CC4)cc2Cl)CC1 ZINC000143091897 562834583 /nfs/dbraw/zinc/83/45/83/562834583.db2.gz VAGFWRKNNGIOGO-UHFFFAOYSA-N 1 0 568.122 4.345 1 0 KIAFRO COc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000143097522 562834585 /nfs/dbraw/zinc/83/45/85/562834585.db2.gz JUJYKELQMNMZLG-RUZDIDTESA-N 1 0 535.652 4.219 1 0 KIAFRO CCOc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000143102767 562834615 /nfs/dbraw/zinc/83/46/15/562834615.db2.gz RFUIUYLIEUUHCH-UHFFFAOYSA-N 1 0 509.658 4.461 1 0 KIAFRO C[C@@H]1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(C4CC[NH+](CCO)CC4)c3)ncc21 ZINC000143112649 562834622 /nfs/dbraw/zinc/83/46/22/562834622.db2.gz RBKDEMAVXNDVAI-GOSISDBHSA-N 1 0 533.080 4.350 1 0 KIAFRO C[C@H]1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(C4CC[NH+](CCO)CC4)c3)ncc21 ZINC000143112865 562834649 /nfs/dbraw/zinc/83/46/49/562834649.db2.gz RBKDEMAVXNDVAI-SFHVURJKSA-N 1 0 533.080 4.350 1 0 KIAFRO [NH3+][C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cccnc3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143134179 562834687 /nfs/dbraw/zinc/83/46/87/562834687.db2.gz ZGOLJQAXMZOLCC-XUZZJYLKSA-N 1 0 506.455 4.346 1 0 KIAFRO [NH3+][C@H]1CCc2ccc(OCCNS(=O)(=O)c3cccnc3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143134350 562834690 /nfs/dbraw/zinc/83/46/90/562834690.db2.gz ZGOLJQAXMZOLCC-URXFXBBRSA-N 1 0 506.455 4.346 1 0 KIAFRO [NH3+][C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cccnc3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143134558 562834677 /nfs/dbraw/zinc/83/46/77/562834677.db2.gz ZGOLJQAXMZOLCC-ZJSXRUAMSA-N 1 0 506.455 4.346 1 0 KIAFRO [NH3+][C@H]1CCc2ccc(OCCNS(=O)(=O)c3cccnc3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143134752 562834684 /nfs/dbraw/zinc/83/46/84/562834684.db2.gz ZGOLJQAXMZOLCC-QPPBQGQZSA-N 1 0 506.455 4.346 1 0 KIAFRO Cc1cc(C[NH+]2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N(C)C)cc(C(C)C)n3)CC2)ccc1Cl ZINC000143136754 562834662 /nfs/dbraw/zinc/83/46/62/562834662.db2.gz RSBUVLAGKFKMCT-RUZDIDTESA-N 1 0 540.108 4.463 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCC(C)(C)NC(=O)C[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000143165025 562834664 /nfs/dbraw/zinc/83/46/64/562834664.db2.gz DDJVPPJAZUNTIE-UHFFFAOYSA-N 1 0 559.440 4.235 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CCC[NH+](C)C)ncnc2Nc1ccc(Br)c(F)c1F ZINC000143173089 562834713 /nfs/dbraw/zinc/83/47/13/562834713.db2.gz ZSDKABQQQPOUIS-UHFFFAOYSA-N 1 0 577.430 4.375 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OC[C@H](CC)NC(=O)C[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000143202753 562834761 /nfs/dbraw/zinc/83/47/61/562834761.db2.gz OIPVBSQFFJQZSU-INIZCTEOSA-N 1 0 559.440 4.235 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OC[C@@H](CC)NC(=O)C[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000143202937 562834775 /nfs/dbraw/zinc/83/47/75/562834775.db2.gz OIPVBSQFFJQZSU-MRXNPFEDSA-N 1 0 559.440 4.235 1 0 KIAFRO CCN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000143216221 562834763 /nfs/dbraw/zinc/83/47/63/562834763.db2.gz WZBBSEWGWASASG-VMPREFPWSA-N 1 0 522.715 4.247 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH+](CC)CC)ncnc2Nc1ccc(Br)cc1F ZINC000143307354 562834894 /nfs/dbraw/zinc/83/48/94/562834894.db2.gz LYDMZKUPEIUXHG-UHFFFAOYSA-N 1 0 559.440 4.236 1 0 KIAFRO Cc1cc(C(=O)NC2CCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)n1 ZINC000143327054 562834891 /nfs/dbraw/zinc/83/48/91/562834891.db2.gz VLDHAXJQQANHCX-RUZDIDTESA-N 1 0 538.092 4.228 1 0 KIAFRO OCCC[NH+]1CCN(c2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)CC1 ZINC000143374053 562834970 /nfs/dbraw/zinc/83/49/70/562834970.db2.gz BZKYEWIMRGJPCQ-UHFFFAOYSA-N 1 0 575.925 4.117 1 0 KIAFRO Brc1c2nc(N3CCC[NH2+]CC3)[nH]c2c(Br)c(Br)c1Br ZINC000143656246 562835188 /nfs/dbraw/zinc/83/51/88/562835188.db2.gz FHOZCRUUBDSTSC-UHFFFAOYSA-N 1 0 531.872 4.413 1 0 KIAFRO C[NH+](C)CCN1CCN(c2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)CC1 ZINC000143697542 562835248 /nfs/dbraw/zinc/83/52/48/562835248.db2.gz MAAVJMSMOIPAPZ-UHFFFAOYSA-N 1 0 588.968 4.297 1 0 KIAFRO C[NH+]1CCN(c2ccc(Nc3ncc4c(=O)n(-c5c(Cl)cccc5Cl)c5nccn5c4n3)cc2)CC1 ZINC000143881486 562835373 /nfs/dbraw/zinc/83/53/73/562835373.db2.gz LYCVEVRCMPEROG-UHFFFAOYSA-N 1 0 521.412 4.231 1 0 KIAFRO NC(=O)n1cc(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NCc2cccc(-c3ccc(Cl)s3)c2)c2ccccc21 ZINC000144001569 562835614 /nfs/dbraw/zinc/83/56/14/562835614.db2.gz NGMRSDYUWZBPGK-UWJYYQICSA-N 1 0 537.045 4.200 1 0 KIAFRO C[N@@H+]1Cc2cc(Nc3ncc4c(=O)n(-c5c(F)cccc5Cl)c5nccn5c4n3)ccc2C2(CC2)C1 ZINC000144010716 562835627 /nfs/dbraw/zinc/83/56/27/562835627.db2.gz YFRNHMAIZOCUPR-UHFFFAOYSA-N 1 0 501.953 4.442 1 0 KIAFRO CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH2+]C[C@H](C(=O)N(CC(C)C)c2cc(OCCCOC)c(C(C)C)cn2)C1 ZINC000144048123 562835700 /nfs/dbraw/zinc/83/57/00/562835700.db2.gz OFDVVNMUUISCAR-JIMJEQGWSA-N 1 0 562.796 4.402 1 0 KIAFRO CC[NH+]1CCC(N2CCN(C(=O)c3cc4cc(Nc5nccc(-c6ccccn6)n5)ccc4[nH]3)CC2)CC1 ZINC000144208793 562835918 /nfs/dbraw/zinc/83/59/18/562835918.db2.gz HOSXMJIEFKQWPB-UHFFFAOYSA-N 1 0 510.646 4.006 1 0 KIAFRO O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(CCC[NH+]2CCCC2)CC1 ZINC000144213545 562835940 /nfs/dbraw/zinc/83/59/40/562835940.db2.gz OFBYWFWRPIGCPW-UHFFFAOYSA-N 1 0 510.646 4.007 1 0 KIAFRO O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000144220042 562835921 /nfs/dbraw/zinc/83/59/21/562835921.db2.gz AYIWIFIPDJLRBE-UHFFFAOYSA-N 1 0 511.630 4.481 1 0 KIAFRO CC(=O)Nc1ccccc1-c1cc2nnc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nc2cc1C ZINC000144309211 562836105 /nfs/dbraw/zinc/83/61/05/562836105.db2.gz NUKBQXZURCSJHL-UHFFFAOYSA-N 1 0 545.669 4.076 1 0 KIAFRO COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1ccccc1)N(C[C@@H]1C[NH2+]C[C@@H]1F)C(=O)[C@@H]1CCCO1 ZINC000144547113 562836427 /nfs/dbraw/zinc/83/64/27/562836427.db2.gz VIKGZRVRPOFCNE-CGIBELHQSA-N 1 0 571.644 4.303 1 0 KIAFRO COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(C[C@@H]1C[NH2+]C[C@@H]1F)C(=O)[C@@H]1CCCO1 ZINC000144554807 562836404 /nfs/dbraw/zinc/83/64/04/562836404.db2.gz HSPPNWKZHJPJBS-UBLBMGLWSA-N 1 0 589.634 4.442 1 0 KIAFRO COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1ccccc1)N(CC[C@H]([NH3+])CF)C(=O)[C@@H]1CCCO1 ZINC000144555018 562836394 /nfs/dbraw/zinc/83/63/94/562836394.db2.gz KXIAKGNVMHMZOV-TUSQITKMSA-N 1 0 559.633 4.432 1 0 KIAFRO C[C@@H](O)[C@@H](O)CCNC(=O)[C@@H]1[NH2+][C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000144609330 562836509 /nfs/dbraw/zinc/83/65/09/562836509.db2.gz UEHPLMKQIFMLIS-HKMMPNKHSA-N 1 0 566.501 4.131 1 0 KIAFRO C[C@H](O)[C@@H](O)CCNC(=O)[C@@H]1[NH2+][C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000144609539 562836504 /nfs/dbraw/zinc/83/65/04/562836504.db2.gz UEHPLMKQIFMLIS-LCZQUXDHSA-N 1 0 566.501 4.131 1 0 KIAFRO C[C@@H](O)[C@H](O)CCNC(=O)[C@@H]1[NH2+][C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000144609735 562836501 /nfs/dbraw/zinc/83/65/01/562836501.db2.gz UEHPLMKQIFMLIS-YQCIENSNSA-N 1 0 566.501 4.131 1 0 KIAFRO C[C@H](O)[C@H](O)CCNC(=O)[C@@H]1[NH2+][C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000144609960 562836532 /nfs/dbraw/zinc/83/65/32/562836532.db2.gz UEHPLMKQIFMLIS-POQLRAPFSA-N 1 0 566.501 4.131 1 0 KIAFRO COCCCOc1cc(C(=O)N(C[C@H]2C[NH2+]C[C@@H]2NCc2ccc3ccccc3c2)C(C)C)ccc1OC ZINC000144629237 562836577 /nfs/dbraw/zinc/83/65/77/562836577.db2.gz XZJFCCNTHXFRPO-IZLXSDGUSA-N 1 0 519.686 4.492 1 0 KIAFRO CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C[NH2+]C4CC4)ccn3)c2s1 ZINC000144693327 562836599 /nfs/dbraw/zinc/83/65/99/562836599.db2.gz BJXATCGKBNBNMW-UHFFFAOYSA-N 1 0 503.632 4.436 1 0 KIAFRO CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C[N@@H+]4CC[C@@](C)(O)C4)ccn3)c2s1 ZINC000144701437 562836609 /nfs/dbraw/zinc/83/66/09/562836609.db2.gz MCUQIJBJHGAQSI-MUUNZHRXSA-N 1 0 547.685 4.141 1 0 KIAFRO CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C[N@@H+]4CC[C@](C)(O)C4)ccn3)c2s1 ZINC000144701631 562836625 /nfs/dbraw/zinc/83/66/25/562836625.db2.gz MCUQIJBJHGAQSI-NDEPHWFRSA-N 1 0 547.685 4.141 1 0 KIAFRO CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C[N@@H+]4CC[C@@H](OC)C4)ccn3)c2s1 ZINC000144712414 562836639 /nfs/dbraw/zinc/83/66/39/562836639.db2.gz NEAKHHVTXPOTKB-HXUWFJFHSA-N 1 0 547.685 4.405 1 0 KIAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C(C)C)ccc1OC ZINC000144958377 562836696 /nfs/dbraw/zinc/83/66/96/562836696.db2.gz ZSIZAIHOOZKGLK-ABYGYWHVSA-N 1 0 611.761 4.320 1 0 KIAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NCc2ccc3ccccc3c2)C(C)C)ccc1OC ZINC000145013597 562836862 /nfs/dbraw/zinc/83/68/62/562836862.db2.gz XZJFCCNTHXFRPO-WUFINQPMSA-N 1 0 519.686 4.492 1 0 KIAFRO O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(C[N@@H+]4CC5(CCCC5)NC(=O)[C@H]4Cc4ccccc4)nc3cc1C2 ZINC000145288494 562836956 /nfs/dbraw/zinc/83/69/56/562836956.db2.gz FOJKIJVGVRNVIS-SJHOIFEDSA-N 1 0 543.671 4.474 1 0 KIAFRO O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(C[N@@H+]4CC5(CCCC5)NC(=O)[C@@H]4Cc4ccccc4)nc3cc1C2 ZINC000145288687 562836937 /nfs/dbraw/zinc/83/69/37/562836937.db2.gz FOJKIJVGVRNVIS-DODOAAEWSA-N 1 0 543.671 4.474 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OC[C@@H](NC(=O)C[NH+](C)C)C(C)C)ncnc2Nc1ccc(Br)cc1F ZINC000145378318 562837017 /nfs/dbraw/zinc/83/70/17/562837017.db2.gz ZEIPSBCNYPQWSX-JOCHJYFZSA-N 1 0 573.467 4.481 1 0 KIAFRO C=CC(=O)Nc1cc2c(cc1OC[C@H](NC(=O)C[NH+](C)C)C(C)C)ncnc2Nc1ccc(Br)cc1F ZINC000145378508 562837045 /nfs/dbraw/zinc/83/70/45/562837045.db2.gz ZEIPSBCNYPQWSX-QFIPXVFZSA-N 1 0 573.467 4.481 1 0 KIAFRO COc1ccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)cc1C[NH2+]CCC(C)C ZINC000145418412 562837067 /nfs/dbraw/zinc/83/70/67/562837067.db2.gz CUOZITRFBTWJQR-VXKWHMMOSA-N 1 0 534.705 4.286 1 0 KIAFRO Cc1ccc(NC(=O)Nc2ccc(-c3nsc(NC(=O)NCCC[NH+]4CCCC4)c3C(N)=O)cc2)cc1 ZINC000145687327 562837496 /nfs/dbraw/zinc/83/74/96/562837496.db2.gz RCHBURXYVZCGRM-UHFFFAOYSA-N 1 0 521.647 4.469 1 0 KIAFRO CN(CC[C@H](O)CO)C(=O)[C@@H]1[NH2+][C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000145715971 562837498 /nfs/dbraw/zinc/83/74/98/562837498.db2.gz QUSDLRJJENDOQR-FKUBJEGUSA-N 1 0 566.501 4.085 1 0 KIAFRO O=C(NCC[C@H](O)CO)[C@H]1[C@H](c2cccc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]2CC3(CCCC3)CC[N@@H+]21 ZINC000145734757 562837546 /nfs/dbraw/zinc/83/75/46/562837546.db2.gz DXMLPKPFMBVILL-OPMYFTJMSA-N 1 0 590.523 4.373 1 0 KIAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCCO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000145756321 562837631 /nfs/dbraw/zinc/83/76/31/562837631.db2.gz AHLYBKDOCLPCPH-SRCYTUNASA-N 1 0 522.448 4.381 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000145969046 562837841 /nfs/dbraw/zinc/83/78/41/562837841.db2.gz VNVRWEKCTIAARM-UHFFFAOYSA-N 1 0 570.572 4.450 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145984095 562837884 /nfs/dbraw/zinc/83/78/84/562837884.db2.gz QJTDVBJXBLCBMX-UHFFFAOYSA-N 1 0 505.550 4.113 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)CC3)n1 ZINC000145987829 562837887 /nfs/dbraw/zinc/83/78/87/562837887.db2.gz KPRHIWNJSNVWOO-UHFFFAOYSA-N 1 0 584.599 4.492 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146009246 562837974 /nfs/dbraw/zinc/83/79/74/562837974.db2.gz KGTFJJIOJZJXDS-UHFFFAOYSA-N 1 0 555.010 4.223 1 0 KIAFRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(OC)C3)n1 ZINC000146016022 562837960 /nfs/dbraw/zinc/83/79/60/562837960.db2.gz RVMJPIUXLCRVTH-GOSISDBHSA-N 1 0 586.571 4.381 1 0 KIAFRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2OC)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146017523 562837985 /nfs/dbraw/zinc/83/79/85/562837985.db2.gz PQBPFKCRSZZIFU-XXBNENTESA-N 1 0 618.588 4.214 1 0 KIAFRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2OC)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146036502 562837942 /nfs/dbraw/zinc/83/79/42/562837942.db2.gz ARXYMXQMDAUATJ-XXBNENTESA-N 1 0 601.491 4.362 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146040712 562838031 /nfs/dbraw/zinc/83/80/31/562838031.db2.gz BCDXMZSJDUJYFM-UHFFFAOYSA-N 1 0 551.047 4.393 1 0 KIAFRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2OC)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146054833 562838043 /nfs/dbraw/zinc/83/80/43/562838043.db2.gz OVTYXGDIOXFYEE-VNJOCVIMSA-N 1 0 599.063 4.409 1 0 KIAFRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2OC)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000146057218 562838021 /nfs/dbraw/zinc/83/80/21/562838021.db2.gz OVTYXGDIOXFYEE-VEQVNTQVSA-N 1 0 599.063 4.409 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)CCO3)n1 ZINC000146063321 562838094 /nfs/dbraw/zinc/83/80/94/562838094.db2.gz URLORNKTPAJFSC-UHFFFAOYSA-N 1 0 600.598 4.328 1 0 KIAFRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2OC)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146064159 562838069 /nfs/dbraw/zinc/83/80/69/562838069.db2.gz YGWCSFGSBXAVGM-YKSBVNFPSA-N 1 0 581.073 4.017 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)CCO3)n1 ZINC000146067345 562838063 /nfs/dbraw/zinc/83/80/63/562838063.db2.gz TVARIGWERRJSBP-UHFFFAOYSA-N 1 0 618.588 4.467 1 0 KIAFRO Cc1cc(C(=O)NC2CC[NH+](CCO)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146069819 562838178 /nfs/dbraw/zinc/83/81/78/562838178.db2.gz YBLVBMZWOVIXOQ-UHFFFAOYSA-N 1 0 584.599 4.112 1 0 KIAFRO COCC[NH+]1CCC(NC(=O)c2ccc(Nc3ncc(C(F)(F)F)c(Oc4cccc5c4C(=O)N(C)C5)n3)c(OC)c2)CC1 ZINC000146071550 562838174 /nfs/dbraw/zinc/83/81/74/562838174.db2.gz WXJDTTGYNLEOLX-UHFFFAOYSA-N 1 0 614.625 4.466 1 0 KIAFRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2OC)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146081453 562838229 /nfs/dbraw/zinc/83/82/29/562838229.db2.gz PQBPFKCRSZZIFU-WMZHIEFXSA-N 1 0 618.588 4.214 1 0 KIAFRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@H]2OC)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146081667 562838217 /nfs/dbraw/zinc/83/82/17/562838217.db2.gz PQBPFKCRSZZIFU-AUSIDOKSSA-N 1 0 618.588 4.214 1 0 KIAFRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2OC)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146086319 562838244 /nfs/dbraw/zinc/83/82/44/562838244.db2.gz IDGWFZUSKDDUOU-NZQKXSOJSA-N 1 0 600.598 4.074 1 0 KIAFRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@H]2OC)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146086513 562838252 /nfs/dbraw/zinc/83/82/52/562838252.db2.gz IDGWFZUSKDDUOU-NFBKMPQASA-N 1 0 600.598 4.074 1 0 KIAFRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@@H]2OC)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146088375 562838271 /nfs/dbraw/zinc/83/82/71/562838271.db2.gz IDGWFZUSKDDUOU-REWPJTCUSA-N 1 0 600.598 4.074 1 0 KIAFRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@@H]2OC)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146088807 562838274 /nfs/dbraw/zinc/83/82/74/562838274.db2.gz PQBPFKCRSZZIFU-CVDCTZTESA-N 1 0 618.588 4.214 1 0 KIAFRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@H]2OC)c(C)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146089025 562838296 /nfs/dbraw/zinc/83/82/96/562838296.db2.gz UUYWVIHFKSCUJS-HYBUGGRVSA-N 1 0 614.625 4.383 1 0 KIAFRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@@H]2OC)c(C)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146094498 562838241 /nfs/dbraw/zinc/83/82/41/562838241.db2.gz UUYWVIHFKSCUJS-RDPSFJRHSA-N 1 0 614.625 4.383 1 0 KIAFRO COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=[NH2+])NC(=O)Cc2cc(OC)c(OC)cc2Br)ccc1F ZINC000146174052 562838309 /nfs/dbraw/zinc/83/83/09/562838309.db2.gz ASRZOKKKEGIGOW-JOCHJYFZSA-N 1 0 607.521 4.452 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N[C@@H](C)CO3)n1 ZINC000146305472 562838457 /nfs/dbraw/zinc/83/84/57/562838457.db2.gz KTPVVVQWEJBBHK-HNNXBMFYSA-N 1 0 585.036 4.148 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N[C@@H](C)CO3)n1 ZINC000146332313 562838419 /nfs/dbraw/zinc/83/84/19/562838419.db2.gz LTTWVIUNGDIWOA-INIZCTEOSA-N 1 0 567.046 4.009 1 0 KIAFRO CNC(=O)[C@@H]1CCCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@H+](C)[C@@H]4CCN(C)C4)CC3)n2)C1 ZINC000146348728 562838495 /nfs/dbraw/zinc/83/84/95/562838495.db2.gz JOAJMHFDGZFGAL-JWQCQUIFSA-N 1 0 561.800 4.173 1 0 KIAFRO CNC(=O)[C@H]1CCCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@H+](C)[C@@H]4CCN(C)C4)CC3)n2)C1 ZINC000146348926 562838466 /nfs/dbraw/zinc/83/84/66/562838466.db2.gz JOAJMHFDGZFGAL-LOSJGSFVSA-N 1 0 561.800 4.173 1 0 KIAFRO C[N@@H+]1CCC[C@@H]1CCOCC1CCN(c2nc(N3CC[C@H](C(N)=O)C3)nc3scc(-c4ccccc4)c32)CC1 ZINC000146367607 562838478 /nfs/dbraw/zinc/83/84/78/562838478.db2.gz IICKMCXHTPRSND-BJKOFHAPSA-N 1 0 548.757 4.387 1 0 KIAFRO C[N@@H+]1CCC[C@H]1CCOCC1CCN(c2nc(N3CC[C@H](C(N)=O)C3)nc3scc(-c4ccccc4)c32)CC1 ZINC000146367804 562838486 /nfs/dbraw/zinc/83/84/86/562838486.db2.gz IICKMCXHTPRSND-ZEQRLZLVSA-N 1 0 548.757 4.387 1 0 KIAFRO CN1CC[C@@H]([N@H+](C)CC2CCN(c3nc(N4CCCC[C@@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146455809 562838584 /nfs/dbraw/zinc/83/85/84/562838584.db2.gz MFOWDSSKCHODLN-ILBGXUMGSA-N 1 0 547.773 4.055 1 0 KIAFRO CN1CC[C@@H]([N@H+](C)CC2CCN(c3nc(CN4CCCC4=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146542610 562838694 /nfs/dbraw/zinc/83/86/94/562838694.db2.gz CRRISFAOSAJAFU-HSZRJFAPSA-N 1 0 518.731 4.333 1 0 KIAFRO CN1CC[C@H]([N@H+](C)CC2CCN(c3nc(CN4CCCC4=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146542821 562838701 /nfs/dbraw/zinc/83/87/01/562838701.db2.gz CRRISFAOSAJAFU-QHCPKHFHSA-N 1 0 518.731 4.333 1 0 KIAFRO CC(=O)Nc1ccc(-c2ccc(NCC(=O)Nc3ccc(CN4CC[NH2+]CC4)c(C(F)(F)F)c3)cc2)cn1 ZINC000146545882 562838683 /nfs/dbraw/zinc/83/86/83/562838683.db2.gz ZJWPYYIRORJZPQ-UHFFFAOYSA-N 1 0 526.563 4.182 1 0 KIAFRO CC(=O)N[C@@H]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(COCC[NH+]4CCCC4)CC3)n2)C1 ZINC000146615342 562838710 /nfs/dbraw/zinc/83/87/10/562838710.db2.gz CSZIYHIDRYVKKF-RUZDIDTESA-N 1 0 548.757 4.402 1 0 KIAFRO CC(=O)N[C@H]1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(COCC[NH+]4CCCC4)CC3)n2)C1 ZINC000146615493 562838711 /nfs/dbraw/zinc/83/87/11/562838711.db2.gz CSZIYHIDRYVKKF-VWLOTQADSA-N 1 0 548.757 4.402 1 0 KIAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 ZINC000146776250 562838795 /nfs/dbraw/zinc/83/87/95/562838795.db2.gz GQRNJMIZAVHYCF-MALNDZBISA-N 1 0 559.695 4.127 1 0 KIAFRO O=C(NCC[C@H](O)CO)[C@@H]1[NH2+][C@H](CCCc2cccs2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000146802373 562838823 /nfs/dbraw/zinc/83/88/23/562838823.db2.gz JNLYCLSPNIATOJ-FYESPONXSA-N 1 0 606.547 4.391 1 0 KIAFRO CC(C)CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000146815780 562838850 /nfs/dbraw/zinc/83/88/50/562838850.db2.gz RVRPEZPMUKBEJU-UTOFGKABSA-N 1 0 596.090 4.393 1 0 KIAFRO C[N@@H+]1[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@@H](c2cccc(Cl)c2)[C@@H]1C(=O)NCC[C@H](O)CO ZINC000146862718 562838835 /nfs/dbraw/zinc/83/88/35/562838835.db2.gz YHCMMEGWFITJQH-FKUBJEGUSA-N 1 0 566.501 4.085 1 0 KIAFRO CCC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000146878067 562838861 /nfs/dbraw/zinc/83/88/61/562838861.db2.gz YOHZOMMSBACNQB-FKUBJEGUSA-N 1 0 566.501 4.132 1 0 KIAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC2C[C@H](O)[C@@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000146911412 562838904 /nfs/dbraw/zinc/83/89/04/562838904.db2.gz IKJLGXJWRMJHJV-JVRRZRCXSA-N 1 0 578.512 4.131 1 0 KIAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC2C[C@@H](O)[C@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000146911614 562838887 /nfs/dbraw/zinc/83/88/87/562838887.db2.gz IKJLGXJWRMJHJV-CWZVLBBLSA-N 1 0 578.512 4.131 1 0 KIAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146918829 562838885 /nfs/dbraw/zinc/83/88/85/562838885.db2.gz FYTJZKFEIICMPU-BGLPIVGWSA-N 1 0 625.594 4.423 1 0 KIAFRO Cc1n[nH]c2ccc(C)c(-c3nc4c(c(N5CC([NH+](C)C)C5)n3)CN(c3c(Cl)c(C5CC5)nn3C)CC4)c12 ZINC000146947987 562838935 /nfs/dbraw/zinc/83/89/35/562838935.db2.gz PBVMSPQYHRSHAP-UHFFFAOYSA-N 1 0 532.096 4.214 1 0 KIAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@](C)(O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146953107 562838947 /nfs/dbraw/zinc/83/89/47/562838947.db2.gz XYYVDPJBKLNVGV-AZXVBEQTSA-N 1 0 566.501 4.132 1 0 KIAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@@](C)(O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146953881 562838943 /nfs/dbraw/zinc/83/89/43/562838943.db2.gz XYYVDPJBKLNVGV-PUBYHYAISA-N 1 0 566.501 4.132 1 0 KIAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@](C)(O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000146966477 562838927 /nfs/dbraw/zinc/83/89/27/562838927.db2.gz OMNYPKDKMBHNKG-AHUIOXCRSA-N 1 0 566.501 4.132 1 0 KIAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCCNS(C)(=O)=O)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000146977529 562838976 /nfs/dbraw/zinc/83/89/76/562838976.db2.gz GVFHKTBGRZEYPI-VJNNQTCJSA-N 1 0 617.546 4.077 1 0 KIAFRO O=C(NCC[C@H](O)CO)[C@@H]1[NH2+][C@H](CCCc2ccccc2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000147058963 562839069 /nfs/dbraw/zinc/83/90/69/562839069.db2.gz BCFRJDRPMVPRNN-IMYDKJEWSA-N 1 0 600.518 4.329 1 0 KIAFRO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc(N(C)[C@H]3CC[C@@H]([NH3+])CC3)c2C)c(=O)[nH]1 ZINC000147081312 562839154 /nfs/dbraw/zinc/83/91/54/562839154.db2.gz HMFYCBIPDDXTTK-OGESRWMOSA-N 1 0 571.766 4.435 1 0 KIAFRO C[N@@H+]1[C@H](CCc2cccs2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@@H](c2cccc(Cl)c2)[C@@H]1C(=O)NCC[C@H](O)CO ZINC000147082724 562839119 /nfs/dbraw/zinc/83/91/19/562839119.db2.gz KKJPEPGPPBOWRS-FYESPONXSA-N 1 0 606.547 4.343 1 0 KIAFRO CCC(C)(C)C[C@H]1[N@H+](C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000147094661 562839102 /nfs/dbraw/zinc/83/91/02/562839102.db2.gz BMICMZACTKVOBC-SUGRGTCJSA-N 1 0 582.063 4.099 1 0 KIAFRO O=C(NCC[C@H](O)CO)[C@@H]1[NH2+][C@H](CC2CCCCC2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000147108423 562839139 /nfs/dbraw/zinc/83/91/39/562839139.db2.gz RBOPWYQIRWGZGJ-SYRIZIHISA-N 1 0 578.512 4.277 1 0 KIAFRO CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc5c(c4)CC[C@@H]([NH+]4CCOCC4)CC5)nc23)cc1 ZINC000147139942 562839184 /nfs/dbraw/zinc/83/91/84/562839184.db2.gz QHFHNVUOAPKMLZ-DEOSSOPVSA-N 1 0 517.655 4.123 1 0 KIAFRO CC(=O)N1CC(NC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1 ZINC000147188556 562839204 /nfs/dbraw/zinc/83/92/04/562839204.db2.gz PMMNFMGFQYSRTE-WZRJCJTJSA-N 1 0 561.485 4.230 1 0 KIAFRO O=C(NCC[C@H](O)CO)[C@@H]1[NH2+][C@H](CCC2CCCC2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000147189411 562839165 /nfs/dbraw/zinc/83/91/65/562839165.db2.gz JPKUIMNTNGMQIA-SYRIZIHISA-N 1 0 578.512 4.277 1 0 KIAFRO O=C(NCC[C@H](O)CO)[C@@H]1[NH2+][C@H](CCc2cccs2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000147214335 562839162 /nfs/dbraw/zinc/83/91/62/562839162.db2.gz WHKHDURMIVZMPI-USJLZIQHSA-N 1 0 592.520 4.000 1 0 KIAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2CN(CC(C)(C)O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000147230357 562839221 /nfs/dbraw/zinc/83/92/21/562839221.db2.gz YULZGKMBFRLRAQ-ZWXBAZLCSA-N 1 0 591.555 4.454 1 0 KIAFRO O=C(NCC[C@H](O)CO)[C@@H]1[NH2+][C@H](CCc2ccsc2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000147396167 562839353 /nfs/dbraw/zinc/83/93/53/562839353.db2.gz IGJHQFKCBJZQPJ-DTWKNNLDSA-N 1 0 592.520 4.000 1 0 KIAFRO CC(C)CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000147409475 562839339 /nfs/dbraw/zinc/83/93/39/562839339.db2.gz QOHWWKAFAGBURH-OPMYFTJMSA-N 1 0 578.100 4.254 1 0 KIAFRO O=S(=O)(Nc1cnccn1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CC[NH2+]CC2)C1 ZINC000147441056 562839320 /nfs/dbraw/zinc/83/93/20/562839320.db2.gz ZWZMMLBRDDMXDG-UHFFFAOYSA-N 1 0 515.561 4.254 1 0 KIAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@@](C)(O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000147491823 562839365 /nfs/dbraw/zinc/83/93/65/562839365.db2.gz OMNYPKDKMBHNKG-BTKREZLGSA-N 1 0 566.501 4.132 1 0 KIAFRO COc1ccc(CC(=O)Oc2ccc([C@@H](O)C[NH2+]C(C)(C)C)cc2OC(=O)Cc2ccc(OC)cc2)cc1 ZINC000147597938 562839479 /nfs/dbraw/zinc/83/94/79/562839479.db2.gz QXLVWIIZYNPCHF-VWLOTQADSA-N 1 0 521.610 4.422 1 0 KIAFRO CC(C)NC(=O)c1sc2ncnc(N3CCC(C[N@H+](C)[C@@H]4CCN(C)C4)CC3)c2c1-c1ccccc1 ZINC000147707680 562839536 /nfs/dbraw/zinc/83/95/36/562839536.db2.gz DAMOQGBLJYYBIT-JOCHJYFZSA-N 1 0 506.720 4.349 1 0 KIAFRO CC(C)NC(=O)c1sc2ncnc(N3CCC(C[N@H+](C)[C@H]4CCN(C)C4)CC3)c2c1-c1ccccc1 ZINC000147707907 562839534 /nfs/dbraw/zinc/83/95/34/562839534.db2.gz DAMOQGBLJYYBIT-QFIPXVFZSA-N 1 0 506.720 4.349 1 0 KIAFRO CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(=O)C[NH2+]C(C)C)c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000147753974 562839598 /nfs/dbraw/zinc/83/95/98/562839598.db2.gz WFGPNPPEBDSDHE-VSGBNLITSA-N 1 0 515.720 4.115 1 0 KIAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(c(C(=O)Nc3ccccc3)nn1C)CCC2 ZINC000147818077 562839760 /nfs/dbraw/zinc/83/97/60/562839760.db2.gz SRODFKAGZLWINR-UHFFFAOYSA-N 1 0 538.656 4.122 1 0 KIAFRO Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2c(N)nc(N3CCC[N@@H+](C)CC3)nc12 ZINC000148026386 562839888 /nfs/dbraw/zinc/83/98/88/562839888.db2.gz NALRQCQSBBYLNC-UHFFFAOYSA-N 1 0 551.577 4.467 1 0 KIAFRO Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2c(N)nc(NCC[NH+](C)C)nc12 ZINC000148027542 562839902 /nfs/dbraw/zinc/83/99/02/562839902.db2.gz PVJMGTUFKQOSAM-UHFFFAOYSA-N 1 0 525.539 4.299 1 0 KIAFRO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4c(N)nc(N5CCC[N@H+](C)CC5)nc34)c2)cc1C(F)(F)F ZINC000148032717 562839885 /nfs/dbraw/zinc/83/98/85/562839885.db2.gz TYJKXMPMGJOQBN-UHFFFAOYSA-N 1 0 581.603 4.476 1 0 KIAFRO C[N@@H+]1CCCN(c2nc(N)c3ncnc(Nc4cccc(C(=O)Nc5cccc(C(F)(F)F)c5)c4)c3n2)CC1 ZINC000148033457 562839892 /nfs/dbraw/zinc/83/98/92/562839892.db2.gz ZPNQAUPDKXYHGY-UHFFFAOYSA-N 1 0 537.550 4.159 1 0 KIAFRO C[NH+]1CCC(N2CCN(c3nc(N)c4ncnc(Nc5cccc(C(=O)Nc6cccc(C(F)(F)F)c6)c5)c4n3)CC2)CC1 ZINC000148033711 562839867 /nfs/dbraw/zinc/83/98/67/562839867.db2.gz PPDKFEACXBXRDD-UHFFFAOYSA-N 1 0 606.657 4.233 1 0 KIAFRO COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCC[N@H+](C)CC3)nc12 ZINC000148037561 562839930 /nfs/dbraw/zinc/83/99/30/562839930.db2.gz YJXPLOMWXBIDTM-UHFFFAOYSA-N 1 0 567.576 4.167 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](CC(C)C)CC3)nc12 ZINC000148039079 562839968 /nfs/dbraw/zinc/83/99/68/562839968.db2.gz MTOBBBSBAIMSEW-UHFFFAOYSA-N 1 0 557.707 4.105 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C4CCCC4)CC3)nc12 ZINC000148040346 562839963 /nfs/dbraw/zinc/83/99/63/562839963.db2.gz GMHNPPDAMBRFBF-UHFFFAOYSA-N 1 0 569.718 4.392 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CC[N@@H+]4CCCC[C@@H]4C3)nc12 ZINC000148041206 562839972 /nfs/dbraw/zinc/83/99/72/562839972.db2.gz CGEJVPBUISVDQS-LJQANCHMSA-N 1 0 555.691 4.001 1 0 KIAFRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCC[NH2+]CC3)nc12 ZINC000148047096 562839929 /nfs/dbraw/zinc/83/99/29/562839929.db2.gz PAUITAUZEBAYGQ-UHFFFAOYSA-N 1 0 537.550 4.125 1 0 KIAFRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3C[C@H]4C[C@@H]3C[N@H+]4C)nc12 ZINC000148049685 562840053 /nfs/dbraw/zinc/84/00/53/562840053.db2.gz HPAYREWHZRBBMH-RTBURBONSA-N 1 0 549.561 4.218 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCOCC3)nc12 ZINC000148052210 562840013 /nfs/dbraw/zinc/84/00/13/562840013.db2.gz NMYSCWOHCXUYGY-UHFFFAOYSA-N 1 0 624.672 4.160 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N(C)C)nc12 ZINC000148052643 562840041 /nfs/dbraw/zinc/84/00/41/562840041.db2.gz VBCDPMOMYGRUSL-UHFFFAOYSA-N 1 0 582.635 4.389 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2c(N)nc(N3CC[NH+](CC(C)C)CC3)nc12 ZINC000148053770 562840021 /nfs/dbraw/zinc/84/00/21/562840021.db2.gz CLHNHNGHFXFOMN-UHFFFAOYSA-N 1 0 571.734 4.115 1 0 KIAFRO C[N@@H+]1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccccc4)cc2)c(O)c13 ZINC000148054933 562840043 /nfs/dbraw/zinc/84/00/43/562840043.db2.gz SBFUBWXMWXCLMP-MBYALERHSA-N 1 0 510.634 4.014 1 0 KIAFRO COc1ccc(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CC[NH+](C)C)nc21 ZINC000148067453 562840086 /nfs/dbraw/zinc/84/00/86/562840086.db2.gz FYRHHTMHYJOKMY-UHFFFAOYSA-N 1 0 570.576 4.450 1 0 KIAFRO COc1ccc(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCC[NH+](C)C)nc21 ZINC000148070545 562840116 /nfs/dbraw/zinc/84/01/16/562840116.db2.gz SQCHJPSHHVMPSH-UHFFFAOYSA-N 1 0 556.549 4.425 1 0 KIAFRO C[N@@H+]1CCCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4Cl)c3n2)CC1 ZINC000148084771 562840174 /nfs/dbraw/zinc/84/01/74/562840174.db2.gz TZCXPYLFGYVSHZ-UHFFFAOYSA-N 1 0 536.040 4.497 1 0 KIAFRO C[NH+](C)CCNc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3Cl)c2n1 ZINC000148087497 562840200 /nfs/dbraw/zinc/84/02/00/562840200.db2.gz FUZXKBFFBQRAJA-UHFFFAOYSA-N 1 0 510.002 4.328 1 0 KIAFRO CN(CC[NH+](C)C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3Cl)c2n1 ZINC000148087926 562840202 /nfs/dbraw/zinc/84/02/02/562840202.db2.gz RFNTUCXENDMEIA-UHFFFAOYSA-N 1 0 524.029 4.352 1 0 KIAFRO COc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N(C)CC[NH+]3CCCC3)nc21 ZINC000148101563 562840230 /nfs/dbraw/zinc/84/02/30/562840230.db2.gz CTDSHRXSCFOBTC-UHFFFAOYSA-N 1 0 545.648 4.242 1 0 KIAFRO Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000148178745 562840446 /nfs/dbraw/zinc/84/04/46/562840446.db2.gz ZHHQEYCHZBWLHP-UHFFFAOYSA-N 1 0 536.562 4.172 1 0 KIAFRO Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3CC[NH+]2CCCC2)cc1Nc1ncnc2cnc(N(C)CC[NH+](C)C)nc21 ZINC000148181664 562840464 /nfs/dbraw/zinc/84/04/64/562840464.db2.gz RMNKWUHKDVTAKY-UHFFFAOYSA-N 1 0 636.805 4.442 1 0 KIAFRO Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CC[NH+](C)C)nc21 ZINC000148192108 562840511 /nfs/dbraw/zinc/84/05/11/562840511.db2.gz XKUGBJROVOYFQX-UHFFFAOYSA-N 1 0 538.578 4.418 1 0 KIAFRO CN(c1cccc(-c2cccn3nc(Nc4ccc(OCC[NH+]5CCCC5)cc4)nc23)c1)S(C)(=O)=O ZINC000148203829 562840552 /nfs/dbraw/zinc/84/05/52/562840552.db2.gz GEPFJQQETZSXKG-UHFFFAOYSA-N 1 0 506.632 4.010 1 0 KIAFRO Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2cnc(N(C)CC[NH+](C)C)nc21 ZINC000148206352 562840566 /nfs/dbraw/zinc/84/05/66/562840566.db2.gz GSUULQFEBCUOSN-UHFFFAOYSA-N 1 0 538.578 4.418 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N(C)CC[NH+](C)C)nc21 ZINC000148228913 562840596 /nfs/dbraw/zinc/84/05/96/562840596.db2.gz UKKUNCKIHZCLBC-UHFFFAOYSA-N 1 0 525.539 4.136 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N3CCC[N@@H+](C)CC3)nc21 ZINC000148231803 562840655 /nfs/dbraw/zinc/84/06/55/562840655.db2.gz SAPHDFWTICZZQM-UHFFFAOYSA-N 1 0 537.550 4.280 1 0 KIAFRO CN(CC[NH+]1CCCC1)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3F)c2n1 ZINC000148241344 562840683 /nfs/dbraw/zinc/84/06/83/562840683.db2.gz NYQCPCXVBWHOGJ-UHFFFAOYSA-N 1 0 533.612 4.372 1 0 KIAFRO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[NH2+]CC3)nc21 ZINC000148250334 562840736 /nfs/dbraw/zinc/84/07/36/562840736.db2.gz AMAWUBIRLFBJGS-UHFFFAOYSA-N 1 0 508.508 4.153 1 0 KIAFRO CC[NH+](CC)Cc1cc(Cl)c(F)c(CNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 ZINC000148250499 562840720 /nfs/dbraw/zinc/84/07/20/562840720.db2.gz OIQYRLUWZRXJAA-JPYJTQIMSA-N 1 0 561.033 4.463 1 0 KIAFRO COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CC[NH2+]CC4)nc32)c1 ZINC000148251929 562840717 /nfs/dbraw/zinc/84/07/17/562840717.db2.gz PJWUCORCBHDDOE-UHFFFAOYSA-N 1 0 526.645 4.440 1 0 KIAFRO Cn1nc(C(C)(C)C)cc1NC(=O)c1cc(Cl)cc(Nc2ncnc3cnc(N4CC[C@@H]([NH+](C)C)C4)nc32)c1 ZINC000148268498 562840792 /nfs/dbraw/zinc/84/07/92/562840792.db2.gz DLLCCHOXTWTQLQ-LJQANCHMSA-N 1 0 549.083 4.240 1 0 KIAFRO Cn1nc(C(C)(C)C)cc1NC(=O)c1cc(Cl)cc(Nc2ncnc3cnc(N4CC[C@H]([NH+](C)C)C4)nc32)c1 ZINC000148268722 562840808 /nfs/dbraw/zinc/84/08/08/562840808.db2.gz DLLCCHOXTWTQLQ-IBGZPJMESA-N 1 0 549.083 4.240 1 0 KIAFRO C[NH+]1CCN(c2cc(NC(=O)c3ccc(F)c(Nc4ncnc5cnc(N6CCOCC6)nc54)c3)cc(C(F)(F)F)c2)CC1 ZINC000148270595 562840813 /nfs/dbraw/zinc/84/08/13/562840813.db2.gz DFUBSCNWDWXUTE-UHFFFAOYSA-N 1 0 611.604 4.162 1 0 KIAFRO CC(C)[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4F)c3n2)CC1 ZINC000148275415 562840800 /nfs/dbraw/zinc/84/08/00/562840800.db2.gz GGGXAZXNWWJKNQ-UHFFFAOYSA-N 1 0 533.612 4.371 1 0 KIAFRO CC(C)(C)c1cc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N5CC[NH+](CC6CC6)CC5)nc43)c2)no1 ZINC000148275888 562840822 /nfs/dbraw/zinc/84/08/22/562840822.db2.gz FQFDMPNEUANMDC-UHFFFAOYSA-N 1 0 545.623 4.372 1 0 KIAFRO C[NH+](C)C1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4F)c3n2)CC1 ZINC000148278896 562840840 /nfs/dbraw/zinc/84/08/40/562840840.db2.gz FAECVMPYWABZQK-UHFFFAOYSA-N 1 0 533.612 4.371 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148308140 562840969 /nfs/dbraw/zinc/84/09/69/562840969.db2.gz UJUZHVJGOWOHHF-UHFFFAOYSA-N 1 0 607.641 4.331 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)nc21 ZINC000148315954 562840976 /nfs/dbraw/zinc/84/09/76/562840976.db2.gz ITWZJSRTRMUAIM-FQEVSTJZSA-N 1 0 571.686 4.168 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[NH+](C[C@H]4CCOC4)CC3)nc21 ZINC000148316153 562841020 /nfs/dbraw/zinc/84/10/20/562841020.db2.gz ITWZJSRTRMUAIM-HXUWFJFHSA-N 1 0 571.686 4.168 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCN(C[C@@H]4CCC[N@@H+](C)C4)CC3)nc21 ZINC000148316361 562840984 /nfs/dbraw/zinc/84/09/84/562840984.db2.gz PBEBOQYRGLENEI-JOCHJYFZSA-N 1 0 598.756 4.473 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCN(C[C@H]4CCC[N@@H+](C)C4)CC3)nc21 ZINC000148316576 562841022 /nfs/dbraw/zinc/84/10/22/562841022.db2.gz PBEBOQYRGLENEI-QFIPXVFZSA-N 1 0 598.756 4.473 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[N@@H+]4CCC[C@@H]4C3)nc21 ZINC000148316811 562841011 /nfs/dbraw/zinc/84/10/11/562841011.db2.gz XJKNXCYTFMXYKH-LJQANCHMSA-N 1 0 527.633 4.294 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCN(C4CC[NH+](C)CC4)CC3)nc21 ZINC000148317313 562841006 /nfs/dbraw/zinc/84/10/06/562841006.db2.gz ADRPPWOUBRIZBQ-UHFFFAOYSA-N 1 0 584.729 4.226 1 0 KIAFRO CC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4C)c3n2)CC1 ZINC000148321905 562840989 /nfs/dbraw/zinc/84/09/89/562840989.db2.gz KSOITMKTGPKETK-UHFFFAOYSA-N 1 0 515.622 4.152 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[NH+](C4CC4)CC3)nc21 ZINC000148323155 562841015 /nfs/dbraw/zinc/84/10/15/562841015.db2.gz SBPYMQFACMCNTL-UHFFFAOYSA-N 1 0 527.633 4.294 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3C[C@@H](C)[NH2+][C@@H](C)C3)nc21 ZINC000148324588 562841027 /nfs/dbraw/zinc/84/10/27/562841027.db2.gz ZOYHJDCACPKWOE-CALCHBBNSA-N 1 0 515.622 4.196 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(N3CC[NH2+][C@H](C)C3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148342970 562841082 /nfs/dbraw/zinc/84/10/82/562841082.db2.gz JVICUKFEGCOHPF-LJQANCHMSA-N 1 0 607.641 4.378 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(NC3CC(N4CC[NH+](C)CC4)C3)nc21 ZINC000148372538 562841182 /nfs/dbraw/zinc/84/11/82/562841182.db2.gz OUEXZLPXQIGVCD-UHFFFAOYSA-N 1 0 570.702 4.200 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N(C)C3CC(N4CC[NH+](C)CC4)C3)nc21 ZINC000148373152 562841188 /nfs/dbraw/zinc/84/11/88/562841188.db2.gz TYOJYXQFJHAVSF-UHFFFAOYSA-N 1 0 584.729 4.224 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(NCCC[NH+](C)C)nc21 ZINC000148373632 562841203 /nfs/dbraw/zinc/84/12/03/562841203.db2.gz TWXXYBNNNAEBQJ-UHFFFAOYSA-N 1 0 503.611 4.373 1 0 KIAFRO NC(=O)n1cc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc(-c3ccc(C[NH3+])cc3F)c2)c2ccccc21 ZINC000148380531 562841187 /nfs/dbraw/zinc/84/11/87/562841187.db2.gz JOSDCQZGLNUUBI-VWLOTQADSA-N 1 0 514.561 4.468 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2C(N)=O)n1 ZINC000148439167 562841276 /nfs/dbraw/zinc/84/12/76/562841276.db2.gz COKNZFCMRLOBKO-UHFFFAOYSA-N 1 0 562.524 4.102 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccnc2)n1 ZINC000148440050 562841304 /nfs/dbraw/zinc/84/13/04/562841304.db2.gz OCVUQJYMWBJZKZ-UHFFFAOYSA-N 1 0 502.497 4.259 1 0 KIAFRO CNC(=O)Cc1ccccc1Oc1nc(Nc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2OC)ncc1C(F)(F)F ZINC000148441989 562841322 /nfs/dbraw/zinc/84/13/22/562841322.db2.gz RPJVPQQXHJQHMG-UHFFFAOYSA-N 1 0 572.588 4.152 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2CC(=O)N(C)C)n1 ZINC000148443317 562841278 /nfs/dbraw/zinc/84/12/78/562841278.db2.gz JOEGYXNOXVQAFG-UHFFFAOYSA-N 1 0 586.615 4.495 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(S(C)(=O)=O)cc2)n1 ZINC000148443549 562841309 /nfs/dbraw/zinc/84/13/09/562841309.db2.gz SMNPVXFENSKIFH-UHFFFAOYSA-N 1 0 579.601 4.267 1 0 KIAFRO CNC(=O)c1cccc(Oc2nc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)ncc2C(F)(F)F)c1 ZINC000148446350 562841342 /nfs/dbraw/zinc/84/13/42/562841342.db2.gz QNYUHLMUTOEFLM-UHFFFAOYSA-N 1 0 558.561 4.224 1 0 KIAFRO CNC(=O)Cc1cccc(Oc2nc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)ncc2C(F)(F)F)c1 ZINC000148450216 562841383 /nfs/dbraw/zinc/84/13/83/562841383.db2.gz XMWNLSZRRMIIGD-UHFFFAOYSA-N 1 0 572.588 4.152 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc(CC(=O)N(C)C)c2)n1 ZINC000148450441 562841367 /nfs/dbraw/zinc/84/13/67/562841367.db2.gz CWNDKJMGQYZDSD-UHFFFAOYSA-N 1 0 586.615 4.495 1 0 KIAFRO CNC(=O)Cc1ccc(Oc2nc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)ncc2C(F)(F)F)cc1 ZINC000148451085 562841344 /nfs/dbraw/zinc/84/13/44/562841344.db2.gz JOVMQFWWDBPTEZ-UHFFFAOYSA-N 1 0 572.588 4.152 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(CC(=O)N(C)C)cc2)n1 ZINC000148451478 562841369 /nfs/dbraw/zinc/84/13/69/562841369.db2.gz TXQUZXDNTODHTK-UHFFFAOYSA-N 1 0 586.615 4.495 1 0 KIAFRO CNC(=O)c1ccc(Oc2nc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)ncc2C(F)(F)F)cc1 ZINC000148451927 562841359 /nfs/dbraw/zinc/84/13/59/562841359.db2.gz ZDIROXJFYRFOPY-UHFFFAOYSA-N 1 0 558.561 4.224 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CC(=O)N3)n1 ZINC000148456284 562841353 /nfs/dbraw/zinc/84/13/53/562841353.db2.gz BLQXQWSECXNKGL-UHFFFAOYSA-N 1 0 556.545 4.359 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CC(=O)N3)n1 ZINC000148456712 562841331 /nfs/dbraw/zinc/84/13/31/562841331.db2.gz GGXOWWDEHUXEQZ-UHFFFAOYSA-N 1 0 574.535 4.498 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(OC[C@@H]2CCCCO2)n1 ZINC000148462445 562841397 /nfs/dbraw/zinc/84/13/97/562841397.db2.gz YKOSIMCZGRDDSR-SFHVURJKSA-N 1 0 523.556 4.020 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(OC[C@H]2CCCCO2)n1 ZINC000148462660 562841408 /nfs/dbraw/zinc/84/14/08/562841408.db2.gz YKOSIMCZGRDDSR-GOSISDBHSA-N 1 0 523.556 4.020 1 0 KIAFRO COc1cc(C(=O)NCC[NH+](C)C)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2N(C)C(=O)CC3)n1 ZINC000148465851 562841434 /nfs/dbraw/zinc/84/14/34/562841434.db2.gz NSXCAPODZSJXHU-UHFFFAOYSA-N 1 0 558.561 4.240 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CS(=O)(=O)N3)n1 ZINC000148466663 562841416 /nfs/dbraw/zinc/84/14/16/562841416.db2.gz LYLMKOCCIJLDCM-UHFFFAOYSA-N 1 0 592.600 4.119 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CS(=O)(=O)N3)n1 ZINC000148468154 562841420 /nfs/dbraw/zinc/84/14/20/562841420.db2.gz DETYLJYZESWNOJ-UHFFFAOYSA-N 1 0 610.590 4.258 1 0 KIAFRO O=C1CCc2ccc(OCCC[NH+]3CCN(c4cccc5c4ccn5S(=O)(=O)c4ccccc4)CC3)cc2N1 ZINC000148584127 562841499 /nfs/dbraw/zinc/84/14/99/562841499.db2.gz HIURADGFEHNSHY-UHFFFAOYSA-N 1 0 544.677 4.354 1 0 KIAFRO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3ccccc3F)cc2)CC1 ZINC000148737042 562841722 /nfs/dbraw/zinc/84/17/22/562841722.db2.gz PMQZCTFZDGONBS-OAQYLSRUSA-N 1 0 537.035 4.461 1 0 KIAFRO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3cccs3)cc2)CC1 ZINC000148737264 562841698 /nfs/dbraw/zinc/84/16/98/562841698.db2.gz IUPWVMNTUIGAKG-HXUWFJFHSA-N 1 0 525.074 4.383 1 0 KIAFRO COc1ccc(-c2ccc(N3CCN(C(=O)C[N@@H+]4CC[C@@H](C(=O)Nc5ccc(O)c(Cl)c5)C4)CC3)cc2)cc1 ZINC000148740102 562841742 /nfs/dbraw/zinc/84/17/42/562841742.db2.gz IENGFJPUQKIIMW-HSZRJFAPSA-N 1 0 549.071 4.330 1 0 KIAFRO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3ccsc3)cc2)CC1 ZINC000148740302 562841710 /nfs/dbraw/zinc/84/17/10/562841710.db2.gz XYFCSVNWTFZYSC-HXUWFJFHSA-N 1 0 525.074 4.383 1 0 KIAFRO C[C@H]1C[N@H+](CC2CCCC2)CCN1C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3F)n[nH]c2C1(C)C ZINC000149122220 562842143 /nfs/dbraw/zinc/84/21/43/562842143.db2.gz OVDFANHQQBTECZ-INIZCTEOSA-N 1 0 500.594 4.307 1 0 KIAFRO C=Cc1c(C)c2c(nc1C[NH2+]C13CCC(CCc4c(F)cnc5ccc(OC)nc54)(CC1)OC3)NC(=O)CO2 ZINC000149139333 562842182 /nfs/dbraw/zinc/84/21/82/562842182.db2.gz JSEMNTBLXZENFJ-UHFFFAOYSA-N 1 0 533.604 4.259 1 0 KIAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+](C2CCC(c3ccccc3CO)CC2)C1 ZINC000149143699 562842213 /nfs/dbraw/zinc/84/22/13/562842213.db2.gz GAWOHCNQRJSLFQ-UHFFFAOYSA-N 1 0 513.564 4.080 1 0 KIAFRO CNc1cnccc1C1CCC([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149146271 562842236 /nfs/dbraw/zinc/84/22/36/562842236.db2.gz SIMPHXXRRUXIKA-UHFFFAOYSA-N 1 0 513.568 4.024 1 0 KIAFRO CC[C@@H](O)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3nccc4ccc(C(F)(F)C(F)(F)F)cc43)C2)CC1 ZINC000149151734 562842247 /nfs/dbraw/zinc/84/22/47/562842247.db2.gz GTWCIZBJSHIPBT-LKUPVBHCSA-N 1 0 514.539 4.431 1 0 KIAFRO CC[C@H](O)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3nccc4ccc(C(F)(F)C(F)(F)F)cc43)C2)CC1 ZINC000149151951 562842291 /nfs/dbraw/zinc/84/22/91/562842291.db2.gz GTWCIZBJSHIPBT-SCWSEQNSSA-N 1 0 514.539 4.431 1 0 KIAFRO CCOC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149153415 562842242 /nfs/dbraw/zinc/84/22/42/562842242.db2.gz ONRUYAGLGNLXKI-UHFFFAOYSA-N 1 0 629.636 4.266 1 0 KIAFRO COc1ccccc1Cc1nc2ccc(-c3nn([C@H]4CC[C@@H]([NH+]5CCN(C(=O)N(C)C)CC5)CC4)c4ncnc(N)c34)cc2[nH]1 ZINC000149170088 562842323 /nfs/dbraw/zinc/84/23/23/562842323.db2.gz FHQQNAHMJMQUKJ-RQNOJGIXSA-N 1 0 608.751 4.334 1 0 KIAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@H]1S(C)(=O)=O ZINC000149176223 562842402 /nfs/dbraw/zinc/84/24/02/562842402.db2.gz QVRUMXAVDBYHBP-LHVNUXSJSA-N 1 0 518.561 4.067 1 0 KIAFRO CCOc1cc(C)c2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149181119 562842398 /nfs/dbraw/zinc/84/23/98/562842398.db2.gz OZMIGRXTWZPPDK-UHFFFAOYSA-N 1 0 521.593 4.006 1 0 KIAFRO COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)C(C)(C)O6)(CC3)CO4)c2n1 ZINC000149181529 562842365 /nfs/dbraw/zinc/84/23/65/562842365.db2.gz UMFSNZYQXHHMNL-UHFFFAOYSA-N 1 0 521.593 4.086 1 0 KIAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@@H]1S(C)(=O)=O ZINC000149184764 562842419 /nfs/dbraw/zinc/84/24/19/562842419.db2.gz QVRUMXAVDBYHBP-BGJGWITESA-N 1 0 518.561 4.067 1 0 KIAFRO COC(=O)N[C@@H]1[C@H](C)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]1[NH3+] ZINC000149186127 562842370 /nfs/dbraw/zinc/84/23/70/562842370.db2.gz GXSHWBSAHCQKFV-PEYHYLNSSA-N 1 0 513.520 4.379 1 0 KIAFRO COC(=O)N[C@@H]1[C@H]([NH3+])C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]1C ZINC000149186535 562842409 /nfs/dbraw/zinc/84/24/09/562842409.db2.gz GXSHWBSAHCQKFV-OEDDDKJZSA-N 1 0 513.520 4.379 1 0 KIAFRO COC(=O)CCCCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149230239 562842539 /nfs/dbraw/zinc/84/25/39/562842539.db2.gz FBXMQLGXPQSALD-UHFFFAOYSA-N 1 0 593.656 4.021 1 0 KIAFRO COC(=O)N(C)[C@@H]1[C@H]([NH3+])C[C@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)C[C@@H]1C ZINC000149247488 562842566 /nfs/dbraw/zinc/84/25/66/562842566.db2.gz DGNBLVOENHCAGS-ZWXCTCQWSA-N 1 0 530.601 4.225 1 0 KIAFRO CCOC(=O)CCCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149258183 562842541 /nfs/dbraw/zinc/84/25/41/562842541.db2.gz AUMKIRNMXZPPIG-UHFFFAOYSA-N 1 0 593.656 4.021 1 0 KIAFRO C[C@H]1c2[nH]nc(NC(=O)c3ccccc3F)c2CN1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1Cc1ccccc1 ZINC000149300423 562842567 /nfs/dbraw/zinc/84/25/67/562842567.db2.gz ZYRDVSKKDYZDTE-JBACZVJFSA-N 1 0 502.594 4.189 1 0 KIAFRO C[C@@H]1c2[nH]nc(NC(=O)c3ccccc3F)c2CN1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1Cc1ccccc1 ZINC000149300634 562842533 /nfs/dbraw/zinc/84/25/33/562842533.db2.gz ZYRDVSKKDYZDTE-GIVPXCGWSA-N 1 0 502.594 4.189 1 0 KIAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@H]1[S@@](C)=O ZINC000149304291 562842602 /nfs/dbraw/zinc/84/26/02/562842602.db2.gz SDHRADPEFDLIKD-STQYOJGCSA-N 1 0 502.562 4.401 1 0 KIAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@H]1[S@](C)=O ZINC000149304481 562842620 /nfs/dbraw/zinc/84/26/20/562842620.db2.gz SDHRADPEFDLIKD-JSSBQXIOSA-N 1 0 502.562 4.401 1 0 KIAFRO COCCS(=O)(=O)[C@@H]1[C@H]([NH3+])C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]1C ZINC000149305190 562842599 /nfs/dbraw/zinc/84/25/99/562842599.db2.gz QOBRNBJEEWVJLW-PSTLZIQHSA-N 1 0 562.614 4.084 1 0 KIAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@@H]1[S@@](C)=O ZINC000149305381 562842624 /nfs/dbraw/zinc/84/26/24/562842624.db2.gz SDHRADPEFDLIKD-VGGXATEYSA-N 1 0 502.562 4.401 1 0 KIAFRO COC(=O)N(C)[C@@H]1[C@H](C)C[C@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)C[C@@H]1[NH3+] ZINC000149314923 562842612 /nfs/dbraw/zinc/84/26/12/562842612.db2.gz DGNBLVOENHCAGS-JBVFKMRFSA-N 1 0 530.601 4.225 1 0 KIAFRO c1ccc(C[NH+]2CCC(Nc3nc(N4CCN(c5ccccn5)CC4)nc4cc5c(cc43)OCO5)CC2)cc1 ZINC000149487126 562842688 /nfs/dbraw/zinc/84/26/88/562842688.db2.gz DHOSTFATOMPGGA-UHFFFAOYSA-N 1 0 523.641 4.157 1 0 KIAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C)c(C(F)(F)F)c2)C1 ZINC000150108849 562842857 /nfs/dbraw/zinc/84/28/57/562842857.db2.gz GSOVYBSSXXCCGI-XXXJXAHKSA-N 1 0 521.624 4.146 1 0 KIAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C)C1 ZINC000150175011 562842924 /nfs/dbraw/zinc/84/29/24/562842924.db2.gz AWPPRZUKCCLSNF-BUZATDFISA-N 1 0 521.624 4.146 1 0 KIAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(Cl)c2)C1 ZINC000150207292 562842948 /nfs/dbraw/zinc/84/29/48/562842948.db2.gz GPWREIAVSOYARW-RVBOJQKWSA-N 1 0 508.490 4.125 1 0 KIAFRO CC[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 ZINC000150214100 562842980 /nfs/dbraw/zinc/84/29/80/562842980.db2.gz GXVPQGOAOFFRJE-YFJOKQOBSA-N 1 0 506.613 4.244 1 0 KIAFRO CC[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 ZINC000150223548 562843013 /nfs/dbraw/zinc/84/30/13/562843013.db2.gz GXVPQGOAOFFRJE-UVVSDCGDSA-N 1 0 506.613 4.244 1 0 KIAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)cc(C(F)(F)F)c2)C1 ZINC000150229095 562842973 /nfs/dbraw/zinc/84/29/73/562842973.db2.gz VPHVCBZJQWBBHX-MPDKEEMQSA-N 1 0 521.624 4.146 1 0 KIAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C)C1 ZINC000150243023 562842978 /nfs/dbraw/zinc/84/29/78/562842978.db2.gz BCKGFYIRWFCIOP-BHDKNMHBSA-N 1 0 521.624 4.146 1 0 KIAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000150248156 562843056 /nfs/dbraw/zinc/84/30/56/562843056.db2.gz NDFZFLXFPXNWIR-RVBOJQKWSA-N 1 0 542.042 4.491 1 0 KIAFRO COc1cc(C(C)C)c(Oc2cnc(NC(=O)[C@H]([NH3+])[C@H](C)C(C)C)nc2N)cc1I ZINC000150261645 562843045 /nfs/dbraw/zinc/84/30/45/562843045.db2.gz ZYRBJWRYTKEUEN-KZULUSFZSA-N 1 0 527.407 4.146 1 0 KIAFRO COc1cc(C(C)C)c(Oc2cnc(NC(=O)N3CCC([NH+](C)C)CC3)nc2N)cc1I ZINC000150263435 562843017 /nfs/dbraw/zinc/84/30/17/562843017.db2.gz IZHDKFNOLUHFDA-UHFFFAOYSA-N 1 0 554.433 4.146 1 0 KIAFRO COc1ncccc1-c1c2nc(Nc3cc(C)c(N4CC[NH+](C)CC4)cc3OC(C)C)ncc2sc1C(N)=O ZINC000150328944 562843099 /nfs/dbraw/zinc/84/30/99/562843099.db2.gz OFVDSACHDVLZDS-UHFFFAOYSA-N 1 0 547.685 4.452 1 0 KIAFRO [NH3+]CCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c([O-])c(Br)c1)NC(=O)N1CCC(n2c(=O)oc3ccccc32)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000150363604 562843326 /nfs/dbraw/zinc/84/33/26/562843326.db2.gz PWPMKDORTALZSG-IHLOFXLRSA-N 1 0 856.617 4.141 1 0 KIAFRO [NH3+]CCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c([O-])c(Br)c1)NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000150363612 562843308 /nfs/dbraw/zinc/84/33/08/562843308.db2.gz YYSNPBLETNIGCW-JSOSNVBQSA-N 1 0 855.633 4.288 1 0 KIAFRO [O-][n+]1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6nc(N7CCN(CCO)CC7)ncc6cc5-c5ccccc5)cc4)CC3)n2)cc1 ZINC000150371763 562843368 /nfs/dbraw/zinc/84/33/68/562843368.db2.gz XKNUKLOVNSZOQW-UHFFFAOYSA-N 1 0 668.806 4.271 1 0 KIAFRO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c(-c2ccc(-c3ccccc3)cc2)n1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000150522983 562843563 /nfs/dbraw/zinc/84/35/63/562843563.db2.gz CQFYRSQEOYPEBY-KYJUHHDHSA-N 1 0 652.800 4.244 1 0 KIAFRO CCn1c(=O)c(=C2Sc3ccc(Cl)cc3N2C)sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000150524707 562843708 /nfs/dbraw/zinc/84/37/08/562843708.db2.gz SPIDMKNRUWEZSV-BZIUYGBASA-O 1 0 728.430 4.410 1 0 KIAFRO CCn1c(=O)c(=C2Sc3c(cccc3Cl)N2C)sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000150525116 562843762 /nfs/dbraw/zinc/84/37/62/562843762.db2.gz MGGOURXHCBYIJV-RBKVGWHWSA-O 1 0 728.430 4.410 1 0 KIAFRO CCn1c(=O)c(=C2Sc3cc(Cl)ccc3N2C)sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000150525237 562843737 /nfs/dbraw/zinc/84/37/37/562843737.db2.gz MJMDDNBXIDPNKF-VITVPIMESA-O 1 0 728.430 4.410 1 0 KIAFRO CCn1c(=O)c(=C2Sc3cccc(Cl)c3N2C)sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000150525271 562843735 /nfs/dbraw/zinc/84/37/35/562843735.db2.gz BNBLGIZYVSUMRB-CPAPBICISA-O 1 0 728.430 4.410 1 0 KIAFRO CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCn3nc(C(=O)N[C@@H]4C[C@H]5CCC[C@@H](C4)[N@H+]5C)c4ccccc43)c(=O)oc2c1 ZINC000150590990 562846185 /nfs/dbraw/zinc/84/61/85/562846185.db2.gz QSIGSEDSPXQCKE-CXAYTTCISA-N 1 0 672.827 4.197 1 0 KIAFRO CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCOc3cccc4c(C(=O)N[C@@H]5C[C@H]6CCC[C@@H](C5)[N@H+]6C)nn(C)c43)c(=O)oc2c1 ZINC000150591654 562846269 /nfs/dbraw/zinc/84/62/69/562846269.db2.gz BWUVAZMPSVZMLB-CXAYTTCISA-N 1 0 702.853 4.113 1 0 KIAFRO COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)[NH2+]2)cc1)C(C)C ZINC000150595157 562846590 /nfs/dbraw/zinc/84/65/90/562846590.db2.gz NAMUHTXEHUHXOZ-CVUOCSEZSA-N 1 0 761.921 4.473 1 0 KIAFRO C[NH+](C)CC1(O)CN(c2ncccc2C(=O)Nc2ccc(C(=O)N3CCc4cc(C(=O)NC5CC5)sc4-c4ccccc43)cc2)C1 ZINC000150598946 562846929 /nfs/dbraw/zinc/84/69/29/562846929.db2.gz BCQDJTPIRLOBKR-UHFFFAOYSA-N 1 0 636.778 4.270 1 0 KIAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c([O-])c(Br)c1)NC(=O)N1CCC(n2c(=O)oc3ccccc32)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161807123 562849220 /nfs/dbraw/zinc/84/92/20/562849220.db2.gz PWPMKDORTALZSG-XZWHSSHBSA-N 1 0 856.617 4.141 1 0 KIAFRO CC(C)[C@H]1CN(CC[C@@H]2CCC[N@H+](C)C2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000165213250 562849869 /nfs/dbraw/zinc/84/98/69/562849869.db2.gz MCIZKSLGJKZUHM-GBXCKJPGSA-N 1 0 513.650 4.180 1 0 KIAFRO CC(C)[C@H]1CN(CC[C@H]2CCC[N@H+](C)C2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000165213379 562849876 /nfs/dbraw/zinc/84/98/76/562849876.db2.gz MCIZKSLGJKZUHM-HYBUGGRVSA-N 1 0 513.650 4.180 1 0 KIAFRO COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCN(C4CC[NH+](C)CC4)CC3)nc12 ZINC000165255492 562849954 /nfs/dbraw/zinc/84/99/54/562849954.db2.gz UXFSNZOSHVHSBS-UHFFFAOYSA-N 1 0 636.683 4.242 1 0 KIAFRO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(C)c(Nc4ncnc5c(N)nc(N6CCOCC6)nc45)c3)cc(C(F)(F)F)c2)CC1 ZINC000165256804 562849977 /nfs/dbraw/zinc/84/99/77/562849977.db2.gz JLHFLHNFWVCUJC-UHFFFAOYSA-N 1 0 636.683 4.304 1 0 KIAFRO Cc1ccc(C(=O)Nc2cc(N(C)CC[NH+](C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCS(=O)CC3)nc21 ZINC000165265007 562849963 /nfs/dbraw/zinc/84/99/63/562849963.db2.gz CQSWCZOOBRTJGW-UHFFFAOYSA-N 1 0 641.724 4.309 1 0 KIAFRO Cc1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1Nc1ncnc2cnc(N3CCN(CC[NH+](C)C)CC3)nc21 ZINC000165283059 562850097 /nfs/dbraw/zinc/85/00/97/562850097.db2.gz DHYHHSHJIVRBAZ-UHFFFAOYSA-N 1 0 641.630 4.365 1 0 KIAFRO CC(C)[C@H]1CN(C[C@H]2CCC[N@@H+]2C(C)C)C(=O)N1c1ccn2ncc(-c3ccc(-c4nnc[nH]4)c(F)c3)c2n1 ZINC000165284513 562850093 /nfs/dbraw/zinc/85/00/93/562850093.db2.gz BYTRASPVNYJDBT-HYBUGGRVSA-N 1 0 531.640 4.460 1 0 KIAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCC[N@@H+](C)CC3)nc12 ZINC000166141452 562850325 /nfs/dbraw/zinc/85/03/25/562850325.db2.gz GSSQCSUHBDGJBV-UHFFFAOYSA-N 1 0 551.577 4.467 1 0 KIAFRO COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[NH+](C)CC5)cc4)ccc3C)c[nH]c-2n1 ZINC000166619211 562850447 /nfs/dbraw/zinc/85/04/47/562850447.db2.gz MPKPLIIMXGFXDA-UHFFFAOYSA-N 1 0 526.641 4.270 1 0 KIAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3cccc(CNc4nncc5c(C(N)=O)cccc54)c3)cc2C(F)(F)F)CC1 ZINC000166979136 562850571 /nfs/dbraw/zinc/85/05/71/562850571.db2.gz ZCNHSWBTKSJQNS-UHFFFAOYSA-N 1 0 563.584 4.364 1 0 KIAFRO CS(=O)(=O)c1nc2nc(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000167026934 562850606 /nfs/dbraw/zinc/85/06/06/562850606.db2.gz KHSLMVKNPXOWDM-UHFFFAOYSA-N 1 0 591.701 4.422 1 0 KIAFRO Cc1nc2nc(-c3ccc(C[NH+]4CCC(n5ncc6c5ncnc6N)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000167039433 562850619 /nfs/dbraw/zinc/85/06/19/562850619.db2.gz NYQZVVRJQDPIAJ-UHFFFAOYSA-N 1 0 516.613 4.326 1 0 KIAFRO CNc1nc2nc(-c3ccc(C[NH+]4CC(c5nnc(-c6ccccn6)[nH]5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000167270429 562850700 /nfs/dbraw/zinc/85/07/00/562850700.db2.gz ZHBUOHSDTGDPDK-UHFFFAOYSA-N 1 0 514.597 4.280 1 0 KIAFRO CC(C)N(C(=O)[C@H](c1cccnc1)[C@@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1F)c1ccccc1)C(C)C ZINC000167603523 562850999 /nfs/dbraw/zinc/85/09/99/562850999.db2.gz HQVBUMDWEUYFES-RZDMPUFOSA-N 1 0 504.650 4.420 1 0 KIAFRO CC(C)N(C(=O)[C@H](c1cccnc1)[C@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1F)c1ccccc1)C(C)C ZINC000167603736 562851013 /nfs/dbraw/zinc/85/10/13/562851013.db2.gz HQVBUMDWEUYFES-FPNNDXFKSA-N 1 0 504.650 4.420 1 0 KIAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1 ZINC000167681287 562851070 /nfs/dbraw/zinc/85/10/70/562851070.db2.gz MPKJZVSPSKOEDR-KKFFSUHESA-N 1 0 542.680 4.361 1 0 KIAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1 ZINC000167681400 562851063 /nfs/dbraw/zinc/85/10/63/562851063.db2.gz MPKJZVSPSKOEDR-FCFQHFIHSA-N 1 0 542.680 4.361 1 0 KIAFRO C[NH2+]C[C@@H](Nc1ccccc(C(N)=O)cncn1)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000167828125 562851115 /nfs/dbraw/zinc/85/11/15/562851115.db2.gz BZNBRLIMNHJECW-JOCHJYFZSA-N 1 0 526.519 4.223 1 0 KIAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ncccc32)CC1)C1CCN(C(=O)C=Cc2cc(F)cc(F)c2)CC1 ZINC000167961628 562851095 /nfs/dbraw/zinc/85/10/95/562851095.db2.gz ITVLCTVWSFDEFP-GICYLXQNSA-N 1 0 521.612 4.263 1 0 KIAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ncccc32)CC1)C1CCN(C(=O)C=Cc2cc(F)cc(F)c2)CC1 ZINC000167961739 562851126 /nfs/dbraw/zinc/85/11/26/562851126.db2.gz ITVLCTVWSFDEFP-ABEUDILDSA-N 1 0 521.612 4.263 1 0 KIAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(-c5cccnc5)n4)c3)sc2C1 ZINC000167962742 562851173 /nfs/dbraw/zinc/85/11/73/562851173.db2.gz IEZRMRUVKSRCGD-IBGZPJMESA-N 1 0 518.668 4.263 1 0 KIAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(-c5ccncc5)n4)c3)sc2C1 ZINC000167966735 562851167 /nfs/dbraw/zinc/85/11/67/562851167.db2.gz ACLUMWATGYNLJZ-IBGZPJMESA-N 1 0 518.668 4.263 1 0 KIAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cnco5)s4)c3)sc2C1 ZINC000167967215 562851177 /nfs/dbraw/zinc/85/11/77/562851177.db2.gz AGAUQMZZBQFDGW-KRWDZBQOSA-N 1 0 507.641 4.461 1 0 KIAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cn[nH]c5)s4)c3)sc2C1 ZINC000167967329 562851161 /nfs/dbraw/zinc/85/11/61/562851161.db2.gz ZGXQFGCYOMTNMA-SFHVURJKSA-N 1 0 506.657 4.196 1 0 KIAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cnco5)cc4)c3)sc2C1 ZINC000167967577 562851180 /nfs/dbraw/zinc/85/11/80/562851180.db2.gz BSJXCUQJTFWJOP-NRFANRHFSA-N 1 0 501.612 4.399 1 0 KIAFRO CCN1C(=O)CSc2ccc(C(=O)NCc3cccc(C(=O)Nc4ccc5c(c4)C[N@@H+](C)CC5)c3)cc21 ZINC000167975608 562851230 /nfs/dbraw/zinc/85/12/30/562851230.db2.gz IHXAPDGSVRBIBF-UHFFFAOYSA-N 1 0 514.651 4.315 1 0 KIAFRO CC[C@@H](OC(=O)N[C@@H]1C[NH2+]C[C@H]1CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C)c1ccccc1 ZINC000168128083 562851245 /nfs/dbraw/zinc/85/12/45/562851245.db2.gz ZMRQCBOLJYFEEJ-JIMJEQGWSA-N 1 0 541.689 4.427 1 0 KIAFRO CCCc1nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)cn1-c1ccc(Cl)cc1 ZINC000168252829 562851298 /nfs/dbraw/zinc/85/12/98/562851298.db2.gz XQNUHOBXWNJGHV-XMMPIXPASA-N 1 0 510.082 4.008 1 0 KIAFRO CCCc1nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)cn1-c1ccc(Cl)cc1 ZINC000168252924 562851282 /nfs/dbraw/zinc/85/12/82/562851282.db2.gz XQNUHOBXWNJGHV-DEOSSOPVSA-N 1 0 510.082 4.008 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1ccc(F)cc1Br)C21CC1 ZINC000168337870 562851285 /nfs/dbraw/zinc/85/12/85/562851285.db2.gz JGWLHOFEKMQUDP-IRMYBRCSSA-N 1 0 518.471 4.025 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1cc(F)c(Br)c(F)c1)C21CC1 ZINC000168344139 562851313 /nfs/dbraw/zinc/85/13/13/562851313.db2.gz CZNFCTWCDRHRJH-GMQQQROESA-N 1 0 536.461 4.164 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1ccc(Br)c(F)c1F)C21CC1 ZINC000168372930 562851341 /nfs/dbraw/zinc/85/13/41/562851341.db2.gz CCYMLARANNAQHW-KOUHRCEDSA-N 1 0 536.461 4.164 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1ccc(Br)cc1F)C21CC1 ZINC000168380422 562851335 /nfs/dbraw/zinc/85/13/35/562851335.db2.gz OROKREMTLDVXJJ-IRMYBRCSSA-N 1 0 518.471 4.025 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1cc(F)c(Br)cc1F)C21CC1 ZINC000168382465 562851331 /nfs/dbraw/zinc/85/13/31/562851331.db2.gz PVYMAUKDGVULHQ-FHTPNYMGSA-N 1 0 522.434 4.486 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1c(F)cc(Br)cc1F)C21CC1 ZINC000168386570 562851339 /nfs/dbraw/zinc/85/13/39/562851339.db2.gz LRPOHKSKKATRHW-IYRWYFENSA-N 1 0 536.461 4.164 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1c(F)cc(Br)cc1F)C21CC1 ZINC000168387694 562851324 /nfs/dbraw/zinc/85/13/24/562851324.db2.gz DFLVAKILSDFDAW-HRQSHJORSA-N 1 0 522.434 4.486 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCCc1ccc(Cl)cc1Cl)C21CC1 ZINC000168409495 562851362 /nfs/dbraw/zinc/85/13/62/562851362.db2.gz IPFWHVBSLPSAGT-CBJLPSGESA-N 1 0 504.502 4.473 1 0 KIAFRO C[C@@H](NC(=O)[C@H]1[C@H](C(=O)NCCCC[NH+]2CCCC2)[C@H]2C=C[C@@H]1C21CC1)c1ccc(Br)cc1 ZINC000168423162 562851380 /nfs/dbraw/zinc/85/13/80/562851380.db2.gz UEIUIRXBMZYFBR-REXJZNOJSA-N 1 0 514.508 4.447 1 0 KIAFRO C[C@H](NC(=O)[C@H]1[C@H](C(=O)NCCCC[NH+]2CCCC2)[C@H]2C=C[C@@H]1C21CC1)c1ccc(Br)cc1 ZINC000168423268 562851355 /nfs/dbraw/zinc/85/13/55/562851355.db2.gz UEIUIRXBMZYFBR-GPDNFFQDSA-N 1 0 514.508 4.447 1 0 KIAFRO COC[C@@H]1CCC[N@@H+]1CCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168433510 562851369 /nfs/dbraw/zinc/85/13/69/562851369.db2.gz QFQNIJYBDUHLKS-OEYYQIPYSA-N 1 0 530.507 4.223 1 0 KIAFRO COC[C@H]1CCC[N@@H+]1CCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168433610 562851384 /nfs/dbraw/zinc/85/13/84/562851384.db2.gz QFQNIJYBDUHLKS-GNADVCDUSA-N 1 0 530.507 4.223 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1ccc(Br)c(F)c1)C21CC1 ZINC000168436108 562851429 /nfs/dbraw/zinc/85/14/29/562851429.db2.gz RDAIPLUEAVCBGB-IYRWYFENSA-N 1 0 518.471 4.025 1 0 KIAFRO O=C(NCC[C@H](F)C[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168452694 562851403 /nfs/dbraw/zinc/85/14/03/562851403.db2.gz AVNRAGBHTIJHNX-AOIWZFSPSA-N 1 0 504.444 4.156 1 0 KIAFRO O=C(NCC[C@@H](F)C[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168452789 562851408 /nfs/dbraw/zinc/85/14/08/562851408.db2.gz AVNRAGBHTIJHNX-MIUGBVLSSA-N 1 0 504.444 4.156 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1ccc(F)c(C(F)(F)F)c1)C21CC1 ZINC000168477545 562851410 /nfs/dbraw/zinc/85/14/10/562851410.db2.gz DJQIIPMLAPYATJ-IYRWYFENSA-N 1 0 507.572 4.281 1 0 KIAFRO CC[NH+](CC)CCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1ccc(Br)cc1)C21CC1 ZINC000168477780 562851398 /nfs/dbraw/zinc/85/13/98/562851398.db2.gz GOWPOGXTOLFNHL-KAOXLYBCSA-N 1 0 502.497 4.132 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1cccc(C(F)(F)F)c1F)C21CC1 ZINC000168477908 562851415 /nfs/dbraw/zinc/85/14/15/562851415.db2.gz PMDIJQKGUIISBG-NPDDRXJXSA-N 1 0 507.572 4.281 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1ccc(F)c(Br)c1)C21CC1 ZINC000168498040 562851462 /nfs/dbraw/zinc/85/14/62/562851462.db2.gz RJGGGTBKGCSSSZ-IYRWYFENSA-N 1 0 518.471 4.025 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1F)C21CC1 ZINC000168519756 562851450 /nfs/dbraw/zinc/85/14/50/562851450.db2.gz YHHYQPRWZWXMDI-GMQQQROESA-N 1 0 504.444 4.347 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2CC[C@@H]([C@H]1C(=O)NCc1ccc(Br)cc1F)C21CC1 ZINC000168527133 562851442 /nfs/dbraw/zinc/85/14/42/562851442.db2.gz MJVFDIZXGPJFDO-IRMYBRCSSA-N 1 0 520.487 4.249 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)c(F)c1F)C21CC1 ZINC000168527931 562851451 /nfs/dbraw/zinc/85/14/51/562851451.db2.gz WWRXWEWWZODLNF-WOUAJJJCSA-N 1 0 522.434 4.486 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1cc(F)c(Br)cc1F)C21CC1 ZINC000168528273 562851436 /nfs/dbraw/zinc/85/14/36/562851436.db2.gz ZXPDYHDMPATHPE-AAUAJYIVSA-N 1 0 536.461 4.164 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1cc(F)cc(C(F)(F)F)c1)C21CC1 ZINC000168528966 562851457 /nfs/dbraw/zinc/85/14/57/562851457.db2.gz DAOWMOWRQDRAJL-KAOXLYBCSA-N 1 0 507.572 4.281 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)c(F)c1)C21CC1 ZINC000168536610 562851461 /nfs/dbraw/zinc/85/14/61/562851461.db2.gz GNCLNVZHMVBTLQ-GMQQQROESA-N 1 0 504.444 4.347 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1cc(C(F)(F)F)ccc1F)C21CC1 ZINC000168547454 562851464 /nfs/dbraw/zinc/85/14/64/562851464.db2.gz XBBJFQULYZUOPU-IRMYBRCSSA-N 1 0 507.572 4.281 1 0 KIAFRO Cc1cc2ccccc2n1CCCNC(=O)[C@H]1[C@H](C(=O)NCCCC[NH+]2CCCC2)[C@H]2C=C[C@@H]1C21CC1 ZINC000168565306 562851504 /nfs/dbraw/zinc/85/15/04/562851504.db2.gz UDIIEIFKICUKTG-QEFMBMMRSA-N 1 0 502.703 4.277 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)C21CC1 ZINC000168569951 562851502 /nfs/dbraw/zinc/85/15/02/562851502.db2.gz ZIWVINNQRGFWEF-KAOXLYBCSA-N 1 0 505.581 4.022 1 0 KIAFRO COc1ccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)cc1C[NH2+]C1CCCC1 ZINC000168762300 562851543 /nfs/dbraw/zinc/85/15/43/562851543.db2.gz NQFWHPQMBHIJJM-SFTDATJTSA-N 1 0 532.689 4.183 1 0 KIAFRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](NCc2cccc(C(F)(F)F)c2)C1 ZINC000169290250 562851774 /nfs/dbraw/zinc/85/17/74/562851774.db2.gz CJGANXISTMOLNK-VSKRKVRLSA-N 1 0 544.540 4.211 1 0 KIAFRO COc1cc2nc(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)nc([C@@H](O)c3ccc(Cl)cc3)c2cc1OC ZINC000169292909 562852043 /nfs/dbraw/zinc/85/20/43/562852043.db2.gz RSOCATRKPYCPKS-CLYVBNDRSA-N 1 0 527.065 4.055 1 0 KIAFRO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6[NH3+])CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CS2 ZINC000169297788 562852607 /nfs/dbraw/zinc/85/26/07/562852607.db2.gz LGLNTTKZFLJZGB-FZESGHCESA-N 1 0 591.855 4.221 1 0 KIAFRO Cc1cccnc1-c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nc(CN3CC[NH2+]CC3)cs2)c1 ZINC000169306753 562853606 /nfs/dbraw/zinc/85/36/06/562853606.db2.gz RIQJTILBCZPEJY-UHFFFAOYSA-N 1 0 563.705 4.367 1 0 KIAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 ZINC000169308055 562854012 /nfs/dbraw/zinc/85/40/12/562854012.db2.gz IJGUMSCZVYOVTC-MQFRRQCYSA-N 1 0 575.694 4.007 1 0 KIAFRO CCOc1ccccc1N1CC[NH+](CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000169309771 562854492 /nfs/dbraw/zinc/85/44/92/562854492.db2.gz UDSGXHVBGNZXRF-UHFFFAOYSA-N 1 0 512.654 4.435 1 0 KIAFRO NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000169310384 562854776 /nfs/dbraw/zinc/85/47/76/562854776.db2.gz ZRCLMNFYEJGGIS-QHCPKHFHSA-N 1 0 503.474 4.115 1 0 KIAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCN3CCOCC3)c2)n1 ZINC000169310613 562854856 /nfs/dbraw/zinc/85/48/56/562854856.db2.gz BBGCUUIMCGYMNQ-UHFFFAOYSA-N 1 0 582.105 4.087 1 0 KIAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnccn1 ZINC000169311236 562855047 /nfs/dbraw/zinc/85/50/47/562855047.db2.gz GMPJXUDTHSYMFG-UHFFFAOYSA-N 1 0 512.536 4.056 1 0 KIAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cncnc1 ZINC000169311237 562855031 /nfs/dbraw/zinc/85/50/31/562855031.db2.gz GXOWLIMDPMBHGK-UHFFFAOYSA-N 1 0 512.536 4.056 1 0 KIAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1ccc(=O)[nH]c1 ZINC000169311239 562855045 /nfs/dbraw/zinc/85/50/45/562855045.db2.gz OJPJDGJLZISYBC-UHFFFAOYSA-N 1 0 527.547 4.366 1 0 KIAFRO CNc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(CN4CC[NH+](C)CC4)c(C(F)(F)F)c3)ccc2C)cn1 ZINC000169311240 562855022 /nfs/dbraw/zinc/85/50/22/562855022.db2.gz GDMQQLTUNQPLAX-UHFFFAOYSA-N 1 0 541.578 4.098 1 0 KIAFRO CCNc1ncc(C(=O)Nc2cc(C(=O)Nc3ccc(CN4CC[NH+](C)CC4)c(C(F)(F)F)c3)ccc2C)cn1 ZINC000169311244 562855052 /nfs/dbraw/zinc/85/50/52/562855052.db2.gz DZYCKIBGBIIICK-UHFFFAOYSA-N 1 0 555.605 4.488 1 0 KIAFRO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cnc(N(C)C)nc1 ZINC000169311254 562855088 /nfs/dbraw/zinc/85/50/88/562855088.db2.gz OVEWETLZYFXEOB-UHFFFAOYSA-N 1 0 555.605 4.122 1 0 KIAFRO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@@H](CC1CCCCC1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C(=O)C1=O ZINC000169311265 562855125 /nfs/dbraw/zinc/85/51/25/562855125.db2.gz FVDPXZDLRKDJRJ-KMSCUOMXSA-N 1 0 685.910 4.147 1 0 KIAFRO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc(O)cc2)N(C[C@@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311267 562855060 /nfs/dbraw/zinc/85/50/60/562855060.db2.gz FZUNFUBTNGTNHB-HNVKGOKNSA-N 1 0 723.915 4.076 1 0 KIAFRO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc(O)cc2)N(C[C@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311270 562855110 /nfs/dbraw/zinc/85/51/10/562855110.db2.gz FZUNFUBTNGTNHB-RMZJEPJKSA-N 1 0 723.915 4.076 1 0 KIAFRO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(C[C@@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311276 562855107 /nfs/dbraw/zinc/85/51/07/562855107.db2.gz FZUNFUBTNGTNHB-KOABPKSUSA-N 1 0 723.915 4.076 1 0 KIAFRO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(C[C@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311278 562855075 /nfs/dbraw/zinc/85/50/75/562855075.db2.gz FZUNFUBTNGTNHB-KJBGYCENSA-N 1 0 723.915 4.076 1 0 KIAFRO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc(O)cc2)N(C[C@@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311280 562855057 /nfs/dbraw/zinc/85/50/57/562855057.db2.gz FZUNFUBTNGTNHB-JWRPADCFSA-N 1 0 723.915 4.076 1 0 KIAFRO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc(O)cc2)N(C[C@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311281 562855072 /nfs/dbraw/zinc/85/50/72/562855072.db2.gz FZUNFUBTNGTNHB-ACHINCKFSA-N 1 0 723.915 4.076 1 0 KIAFRO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(C[C@@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311288 562855118 /nfs/dbraw/zinc/85/51/18/562855118.db2.gz FZUNFUBTNGTNHB-BOYYEFAASA-N 1 0 723.915 4.076 1 0 KIAFRO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(C[C@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311289 562855066 /nfs/dbraw/zinc/85/50/66/562855066.db2.gz FZUNFUBTNGTNHB-RCSGYHMFSA-N 1 0 723.915 4.076 1 0 KIAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)C[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OCC=Cc2cnc3ccccc3c2)CCC(=O)C[C@H]2NC(=O)O[C@@]21C ZINC000169312909 562855504 /nfs/dbraw/zinc/85/55/04/562855504.db2.gz BFCJONVWQLHOJJ-ZLKDFWOKSA-N 1 0 723.864 4.372 1 0 KIAFRO CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CNCCC[NH+](CC)CC)cc1 ZINC000169313090 562855522 /nfs/dbraw/zinc/85/55/22/562855522.db2.gz OJKALDMOCOACDI-UHFFFAOYSA-N 1 0 508.667 4.040 1 0 KIAFRO COc1ccc2c3c1O[C@@H]1[C@@]34CC[N@@H+](C)[C@@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([C@@](C)(O)CCc1ccc(O)cc1)C2 ZINC000169315262 562855800 /nfs/dbraw/zinc/85/58/00/562855800.db2.gz PCDVNUSHMPVTOE-IFYDKPTLSA-N 1 0 503.639 4.005 1 0 KIAFRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000169321171 562856560 /nfs/dbraw/zinc/85/65/60/562856560.db2.gz MHBMMRBEHJHMCL-CHQNGUEUSA-N 1 0 579.701 4.131 1 0 KIAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000169321181 562856579 /nfs/dbraw/zinc/85/65/79/562856579.db2.gz HQVIVVFQPBDLHI-NNUTVPELSA-N 1 0 643.744 4.423 1 0 KIAFRO CSCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000169321183 562856609 /nfs/dbraw/zinc/85/66/09/562856609.db2.gz JHLUXWNYQJLION-NAYUSWPISA-N 1 0 611.768 4.228 1 0 KIAFRO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(/C=C/S(=O)(=O)c4ccc(F)cc4)cc32)c(C)c1C(=O)NCCC[NH+](C)C ZINC000169323185 562856985 /nfs/dbraw/zinc/85/69/85/562856985.db2.gz DPSJWKJTAYKHLS-CURGHARLSA-N 1 0 550.656 4.389 1 0 KIAFRO CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000169323463 562857064 /nfs/dbraw/zinc/85/70/64/562857064.db2.gz VBGVWKFAVGGQCH-NDEPHWFRSA-N 1 0 659.640 4.392 1 0 KIAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(Cc3ccccc3)CC2=O)c1 ZINC000169323542 562857088 /nfs/dbraw/zinc/85/70/88/562857088.db2.gz HDDRSIIMSWLFOP-UHFFFAOYSA-N 1 0 632.725 4.426 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cc4nccnc4cn3)CC2)C1 ZINC000169325354 562857596 /nfs/dbraw/zinc/85/75/96/562857596.db2.gz NVPXSSPNYHRGBA-DNZIZEQUSA-N 1 0 556.711 4.019 1 0 KIAFRO CC[C@H](C)[C@H](NC(=O)[C@@H]([NH2+]C[C@H](O)[C@H](CC1CCCCC1)N(C(C)=O)C(C)(C)C)C(C)C)C(=O)NCc1ccccn1 ZINC000169325688 562857661 /nfs/dbraw/zinc/85/76/61/562857661.db2.gz KUSBLNPECIZWKY-LTUSVDMXSA-N 1 0 587.850 4.190 1 0 KIAFRO COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCC(NC(=O)NC4CCCCC4)CC3)c2)c(OC)c1 ZINC000169326888 562857870 /nfs/dbraw/zinc/85/78/70/562857870.db2.gz CGFVMUUUSDIEAE-YTTGMZPUSA-N 1 0 690.867 4.167 1 0 KIAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)[C@@H]([C@@H](C)CC)C2=O)c1 ZINC000169326925 562857893 /nfs/dbraw/zinc/85/78/93/562857893.db2.gz KPSAQFTWIFWIHN-LGGPFLRQSA-N 1 0 612.735 4.270 1 0 KIAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)[C@H]([C@@H](C)CC)C2=O)c1 ZINC000169326926 562857884 /nfs/dbraw/zinc/85/78/84/562857884.db2.gz KPSAQFTWIFWIHN-KCWXNJEJSA-N 1 0 612.735 4.270 1 0 KIAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)[C@@H]([C@H](C)CC)C2=O)c1 ZINC000169326928 562857873 /nfs/dbraw/zinc/85/78/73/562857873.db2.gz KPSAQFTWIFWIHN-PBBNMVCDSA-N 1 0 612.735 4.270 1 0 KIAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)[C@H]([C@H](C)CC)C2=O)c1 ZINC000169326929 562857895 /nfs/dbraw/zinc/85/78/95/562857895.db2.gz KPSAQFTWIFWIHN-ONOMSOESSA-N 1 0 612.735 4.270 1 0 KIAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(c3ccccc3)CC2=O)c1 ZINC000169326936 562857948 /nfs/dbraw/zinc/85/79/48/562857948.db2.gz ULXMPRHXSCCKLM-UHFFFAOYSA-N 1 0 618.698 4.430 1 0 KIAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)[C@@H](Cc3ccccc3)C2=O)c1 ZINC000169326938 562857938 /nfs/dbraw/zinc/85/79/38/562857938.db2.gz WFYWZAOVBXVYRQ-PMERELPUSA-N 1 0 646.752 4.467 1 0 KIAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)[C@H](Cc3ccccc3)C2=O)c1 ZINC000169326940 562857909 /nfs/dbraw/zinc/85/79/09/562857909.db2.gz WFYWZAOVBXVYRQ-SSEXGKCCSA-N 1 0 646.752 4.467 1 0 KIAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)[C@@H](Cc3ccc(OC)cc3)C2=O)c1 ZINC000169326942 562857917 /nfs/dbraw/zinc/85/79/17/562857917.db2.gz BFCDQACTJVOXQQ-HKBQPEDESA-N 1 0 676.778 4.475 1 0 KIAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)[C@H](Cc3ccc(OC)cc3)C2=O)c1 ZINC000169326944 562857922 /nfs/dbraw/zinc/85/79/22/562857922.db2.gz BFCDQACTJVOXQQ-WJOKGBTCSA-N 1 0 676.778 4.475 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000169328027 562858242 /nfs/dbraw/zinc/85/82/42/562858242.db2.gz JYRKGTLBBJHVGA-DNZIZEQUSA-N 1 0 504.675 4.076 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc4nccn43)CC2)C1 ZINC000169328719 562858407 /nfs/dbraw/zinc/85/84/07/562858407.db2.gz SKBUEWJIXHHCOK-BDGPUAICSA-N 1 0 543.712 4.329 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C1 ZINC000169328854 562858411 /nfs/dbraw/zinc/85/84/11/562858411.db2.gz PXKLEJCHPGUZTI-KCQQGECQSA-N 1 0 545.684 4.217 1 0 KIAFRO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@H+](C[C@@H]5CCCCO5)C4)c(=O)c3n2)c1 ZINC000169329329 562858477 /nfs/dbraw/zinc/85/84/77/562858477.db2.gz DXSXKWAMIQXRGJ-DHLKQENFSA-N 1 0 528.657 4.242 1 0 KIAFRO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@H+](C[C@H]5CCCCO5)C4)c(=O)c3n2)c1 ZINC000169329330 562858520 /nfs/dbraw/zinc/85/85/20/562858520.db2.gz DXSXKWAMIQXRGJ-WIOPSUGQSA-N 1 0 528.657 4.242 1 0 KIAFRO CCO[C@@H](C)C[N@@H+]1CCC[C@H](Cn2c(=O)c3nn(-c4cccc(OC)c4)cc3nc2-c2cccnc2C)C1 ZINC000169329331 562858511 /nfs/dbraw/zinc/85/85/11/562858511.db2.gz WGFAFEDEEUGGOE-UNMCSNQZSA-N 1 0 516.646 4.098 1 0 KIAFRO CCO[C@H](C)C[N@@H+]1CCC[C@H](Cn2c(=O)c3nn(-c4cccc(OC)c4)cc3nc2-c2cccnc2C)C1 ZINC000169329332 562858474 /nfs/dbraw/zinc/85/84/74/562858474.db2.gz WGFAFEDEEUGGOE-IRLDBZIGSA-N 1 0 516.646 4.098 1 0 KIAFRO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@H+](Cc5ccco5)C4)c(=O)c3n2)c1 ZINC000169330993 562858836 /nfs/dbraw/zinc/85/88/36/562858836.db2.gz PPNMAMLENGIHKJ-NRFANRHFSA-N 1 0 510.598 4.466 1 0 KIAFRO CCOc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@H+](C[C@H]5CCCO5)C4)c(=O)c3n2)c1 ZINC000169331025 562858843 /nfs/dbraw/zinc/85/88/43/562858843.db2.gz SDDYPSFGXCNMIG-WIOPSUGQSA-N 1 0 528.657 4.242 1 0 KIAFRO Cc1ncccc1-c1nc2cn(-c3cccc(OC(F)F)c3)nc2c(=O)n1C[C@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000169331032 562858883 /nfs/dbraw/zinc/85/88/83/562858883.db2.gz PBFIXCPNDGGMRZ-NZQKXSOJSA-N 1 0 550.610 4.445 1 0 KIAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1 ZINC000169332470 562859148 /nfs/dbraw/zinc/85/91/48/562859148.db2.gz RULOOZJTFYDVKV-UHFFFAOYSA-N 1 0 518.083 4.190 1 0 KIAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2O[C@H](c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334757 562859548 /nfs/dbraw/zinc/85/95/48/562859548.db2.gz HAYLEQQXEJJTKE-DHKFTWGWSA-N 1 0 545.602 4.058 1 0 KIAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2O[C@H](c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334759 562859537 /nfs/dbraw/zinc/85/95/37/562859537.db2.gz HAYLEQQXEJJTKE-LLDZMWJCSA-N 1 0 545.602 4.058 1 0 KIAFRO COC(=O)c1ccc([C@@H]2SCC(=O)N2c2ccc(N3CC[NH+](Cc4cccc(C)c4)CC3)cn2)c(OC)c1 ZINC000169335154 562859593 /nfs/dbraw/zinc/85/95/93/562859593.db2.gz KVNWLAKPPMCANQ-NDEPHWFRSA-N 1 0 532.666 4.286 1 0 KIAFRO COC(=O)c1ccc([C@H]2SCC(=O)N2c2ccc(N3CC[NH+](Cc4cccc(C)c4)CC3)cn2)c(OC)c1 ZINC000169335155 562859614 /nfs/dbraw/zinc/85/96/14/562859614.db2.gz KVNWLAKPPMCANQ-MUUNZHRXSA-N 1 0 532.666 4.286 1 0 KIAFRO O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CC[N@H+](CCc3ccccc3)[C@@H]4C7)[C@H]25)N1Cc1ccccc1 ZINC000169341284 562860821 /nfs/dbraw/zinc/86/08/21/562860821.db2.gz BOWOPEVIHUYMAZ-KRGIVBCISA-N 1 0 550.655 4.156 1 0 KIAFRO CCOc1cc(F)c(Cn2nc(-c3ncc(OCC4(CO)COC4)c(Nc4cc[nH+]cc4)n3)c3c2CCC3)c(F)c1 ZINC000169341684 562860908 /nfs/dbraw/zinc/86/09/08/562860908.db2.gz WIVMUEFNJYZIOY-UHFFFAOYSA-N 1 0 564.593 4.080 1 0 in-vitro KIAFRO CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@@H](C)C[N@@H+](CC(=O)N(C)C)CC3)ncc1Cl ZINC000169345231 562861558 /nfs/dbraw/zinc/86/15/58/562861558.db2.gz XYJHFAIWNWCPJD-KRWDZBQOSA-N 1 0 522.053 4.027 1 0 KIAFRO CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@H](C)C[N@@H+](CC(=O)N(C)C)CC3)ncc1Cl ZINC000169345232 562861570 /nfs/dbraw/zinc/86/15/70/562861570.db2.gz XYJHFAIWNWCPJD-QGZVFWFLSA-N 1 0 522.053 4.027 1 0 KIAFRO CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@@H](C)C[N@@H+](C)CC3)nc(N2CCOCC2)c1Cl ZINC000169345245 562861578 /nfs/dbraw/zinc/86/15/78/562861578.db2.gz LFHOAVLOFVEZTR-SFHVURJKSA-N 1 0 536.080 4.405 1 0 KIAFRO CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@H](C)C[N@@H+](C)CC3)nc(N2CCOCC2)c1Cl ZINC000169345246 562861564 /nfs/dbraw/zinc/86/15/64/562861564.db2.gz LFHOAVLOFVEZTR-GOSISDBHSA-N 1 0 536.080 4.405 1 0 KIAFRO CC(C)[N@H+](C)CCCN(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1 ZINC000169346893 562861885 /nfs/dbraw/zinc/86/18/85/562861885.db2.gz IDSZVHRWDXGSEI-UHFFFAOYSA-N 1 0 577.191 4.289 1 0 KIAFRO C[N@H+](CCCN(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1)C1CC1 ZINC000169346897 562861873 /nfs/dbraw/zinc/86/18/73/562861873.db2.gz LPPAAGMYJPFRBW-UHFFFAOYSA-N 1 0 575.175 4.043 1 0 KIAFRO CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348467 562862240 /nfs/dbraw/zinc/86/22/40/562862240.db2.gz FDWNMYHUGREUKN-PMERELPUSA-N 1 0 627.786 4.135 1 0 KIAFRO CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348468 562862236 /nfs/dbraw/zinc/86/22/36/562862236.db2.gz CJBAZCHPDVZFFP-HKBQPEDESA-N 1 0 641.813 4.396 1 0 KIAFRO COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C1CC1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348501 562862314 /nfs/dbraw/zinc/86/23/14/562862314.db2.gz RCJHGDOWYNVUCZ-HKBQPEDESA-N 1 0 626.754 4.187 1 0 KIAFRO COc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(CC[NH+](C)C)CC6)ccc5[nH]4)ccc3[nH]2)cc1OC ZINC000169352532 562863132 /nfs/dbraw/zinc/86/31/32/562863132.db2.gz RZHAOZCPHFBKRG-UHFFFAOYSA-N 1 0 525.657 4.474 1 0 KIAFRO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@@]1(C(=O)NCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000169352794 562863183 /nfs/dbraw/zinc/86/31/83/562863183.db2.gz AKNZJQAXCIWKJT-ARPOTICCSA-N 1 0 628.770 4.433 1 0 KIAFRO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@]1(C(=O)NCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000169352795 562863215 /nfs/dbraw/zinc/86/32/15/562863215.db2.gz AKNZJQAXCIWKJT-RYWJPUDZSA-N 1 0 628.770 4.433 1 0 KIAFRO CCCCNC(=O)C1(N(Cc2ccccc2)C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000169352798 562863206 /nfs/dbraw/zinc/86/32/06/562863206.db2.gz PYCOLNRYYZTFRF-NDEPHWFRSA-N 1 0 608.780 4.423 1 0 KIAFRO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C1(C(=O)NC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000169352800 562863228 /nfs/dbraw/zinc/86/32/28/562863228.db2.gz RWCLEAIJEDRYCH-MHZLTWQESA-N 1 0 608.780 4.421 1 0 KIAFRO CC[C@@H](C)N(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169352809 562863209 /nfs/dbraw/zinc/86/32/09/562863209.db2.gz NBQMFWHFIOSNBC-NAKRPHOHSA-N 1 0 608.780 4.421 1 0 KIAFRO CC[C@H](C)N(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169352810 562863190 /nfs/dbraw/zinc/86/31/90/562863190.db2.gz NBQMFWHFIOSNBC-LSYYVWMOSA-N 1 0 608.780 4.421 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccc4nccnc4n3)CC2)C1 ZINC000169355412 562863731 /nfs/dbraw/zinc/86/37/31/562863731.db2.gz AIEPZCFSGUKURU-DNZIZEQUSA-N 1 0 556.711 4.019 1 0 KIAFRO C[N@@H+]1CCC[C@@H]1CCN1CC(=O)N(CCc2ccc(Cl)cc2Cl)[C@@H](CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(N)=O)C1=O ZINC000169356565 562863843 /nfs/dbraw/zinc/86/38/43/562863843.db2.gz BDUVFTBZOLFDIP-SQHAQQRYSA-N 1 0 685.480 4.313 1 0 KIAFRO C[N@@H+]1CCC[C@H]1CCN1CC(=O)N(CCc2ccc(Cl)cc2Cl)[C@@H](CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(N)=O)C1=O ZINC000169356566 562863838 /nfs/dbraw/zinc/86/38/38/562863838.db2.gz BDUVFTBZOLFDIP-IGKIAQTJSA-N 1 0 685.480 4.313 1 0 KIAFRO CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(=O)NCC[NH3+])C(C)C ZINC000169358935 562864031 /nfs/dbraw/zinc/86/40/31/562864031.db2.gz VWEJKKZJZMBHBR-JFULRSNISA-N 1 0 683.902 4.413 1 0 KIAFRO CCCc1nc(-c2cccnc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(=O)NCCN1CC[NH2+]CC1)C(C)C ZINC000169364239 562864387 /nfs/dbraw/zinc/86/43/87/562864387.db2.gz NAKCUPOFVUSMGI-CJGFEETBSA-N 1 0 753.009 4.360 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc4nonc43)CC2)C1 ZINC000169366240 562864482 /nfs/dbraw/zinc/86/44/82/562864482.db2.gz CFVGQAQWOHALJT-VZVHPENPSA-N 1 0 545.684 4.217 1 0 KIAFRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](NCc2ccc(Cl)c(Cl)c2)C1 ZINC000169371353 562864783 /nfs/dbraw/zinc/86/47/83/562864783.db2.gz GHFPSKUEUUDFIE-QIJUGHKUSA-N 1 0 545.433 4.499 1 0 KIAFRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](NCc2ccc(Cl)c(Cl)c2)C1 ZINC000169371355 562864788 /nfs/dbraw/zinc/86/47/88/562864788.db2.gz GHFPSKUEUUDFIE-COPCDDAFSA-N 1 0 545.433 4.499 1 0 KIAFRO CC(C)n1cc(C(=O)c2cncc(NC(=O)[C@H]([NH3+])Cc3ccc(C(=O)c4ccccc4)cc3)c2)c2cncnc21 ZINC000169686225 562865139 /nfs/dbraw/zinc/86/51/39/562865139.db2.gz TWKLMQDDHTUERC-HHHXNRCGSA-N 1 0 532.604 4.378 1 0 KIAFRO CC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc([N-]c3ccc(C(=O)NCC[NH+]4CCCC4)o3)nc21 ZINC000169694143 562865214 /nfs/dbraw/zinc/86/52/14/562865214.db2.gz PDGSDMDSBVRRMY-UHFFFAOYSA-N 1 0 513.602 4.429 1 0 KIAFRO Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)NCC[NH+](C)C)cc2)s1 ZINC000169696719 562866321 /nfs/dbraw/zinc/86/63/21/562866321.db2.gz GJXRYTKFPOAMPJ-BDYUSTAISA-N 1 0 546.693 4.298 1 0 KIAFRO Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)NCC[NH+](C)C)cc2)s1 ZINC000169696720 562866301 /nfs/dbraw/zinc/86/63/01/562866301.db2.gz GJXRYTKFPOAMPJ-VPUSJEBWSA-N 1 0 546.693 4.298 1 0 KIAFRO Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)NCC[NH+](C)C)cc2)s1 ZINC000169696721 562866316 /nfs/dbraw/zinc/86/63/16/562866316.db2.gz GJXRYTKFPOAMPJ-AHKZPQOWSA-N 1 0 546.693 4.298 1 0 KIAFRO Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)NCC[NH+](C)C)cc2)s1 ZINC000169696722 562866342 /nfs/dbraw/zinc/86/63/42/562866342.db2.gz GJXRYTKFPOAMPJ-XNMGPUDCSA-N 1 0 546.693 4.298 1 0 KIAFRO C[C@H](O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5([NH3+])CCC5)cc4)c3n2)c1 ZINC000169697637 562866518 /nfs/dbraw/zinc/86/65/18/562866518.db2.gz DOCHXEHAHKHVRX-IBGZPJMESA-N 1 0 533.636 4.180 1 0 KIAFRO C[C@@H](O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5([NH3+])CCC5)cc4)c3n2)c1 ZINC000169697638 562866504 /nfs/dbraw/zinc/86/65/04/562866504.db2.gz DOCHXEHAHKHVRX-LJQANCHMSA-N 1 0 533.636 4.180 1 0 KIAFRO Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCS(=O)(=O)CC4)c3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1 ZINC000169697648 562866512 /nfs/dbraw/zinc/86/65/12/562866512.db2.gz MHXDFKXYTDYTRJ-UHFFFAOYSA-N 1 0 565.703 4.304 1 0 KIAFRO C[NH2+]Cc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)c1 ZINC000169698290 562867071 /nfs/dbraw/zinc/86/70/71/562867071.db2.gz VZBSGJHKCZEZHS-UHFFFAOYSA-N 1 0 535.699 4.037 1 0 KIAFRO C[NH+](C)Cc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)c1 ZINC000169698291 562867130 /nfs/dbraw/zinc/86/71/30/562867130.db2.gz CEKZRHMYGHDKMI-UHFFFAOYSA-N 1 0 549.726 4.379 1 0 KIAFRO C[NH+](C)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698304 562867121 /nfs/dbraw/zinc/86/71/21/562867121.db2.gz ADLNEDAOVQOWHK-UHFFFAOYSA-N 1 0 543.697 4.318 1 0 KIAFRO N=C(CCC(=[NH2+])CCCCc1nnc(NC(=O)Cc2cccc(OCCCO)c2)s1)NC(=O)Cc1ccccc1 ZINC000169698437 562867253 /nfs/dbraw/zinc/86/72/53/562867253.db2.gz SHAVQGFTLLLILM-UHFFFAOYSA-N 1 0 564.712 4.329 1 0 KIAFRO C[C@@H]([NH3+])c1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698481 562867298 /nfs/dbraw/zinc/86/72/98/562867298.db2.gz UXYUHWFOJKNJBH-LJQANCHMSA-N 1 0 529.670 4.276 1 0 KIAFRO C[C@H]([NH3+])c1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698482 562867294 /nfs/dbraw/zinc/86/72/94/562867294.db2.gz UXYUHWFOJKNJBH-IBGZPJMESA-N 1 0 529.670 4.276 1 0 KIAFRO C[C@@H]([NH3+])c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698483 562867297 /nfs/dbraw/zinc/86/72/97/562867297.db2.gz SRWPVSCNHXITQP-LJQANCHMSA-N 1 0 529.670 4.276 1 0 KIAFRO C[C@H]([NH3+])c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698484 562867302 /nfs/dbraw/zinc/86/73/02/562867302.db2.gz SRWPVSCNHXITQP-IBGZPJMESA-N 1 0 529.670 4.276 1 0 KIAFRO CS(=O)(=O)CCCOc1cccc(CC(=O)NC(=N)CCC(=[NH2+])CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698641 562867429 /nfs/dbraw/zinc/86/74/29/562867429.db2.gz ZZAJINAWOBFPRF-UHFFFAOYSA-N 1 0 626.805 4.382 1 0 KIAFRO C[C@@H](NS(C)(=O)=O)c1cccc(CC(=O)NC(=N)CCC(=[NH2+])CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698653 562867417 /nfs/dbraw/zinc/86/74/17/562867417.db2.gz XGYLWGANBWYYTC-HXUWFJFHSA-N 1 0 611.794 4.178 1 0 KIAFRO CC(C)([NH3+])c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698663 562867450 /nfs/dbraw/zinc/86/74/50/562867450.db2.gz KKQPVGMPJLVCLL-UHFFFAOYSA-N 1 0 543.697 4.450 1 0 KIAFRO C[C@@H]([NH3+])c1cc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)ccc1F ZINC000169698679 562867444 /nfs/dbraw/zinc/86/74/44/562867444.db2.gz SKBMSEQBZNGIIU-GOSISDBHSA-N 1 0 547.660 4.415 1 0 KIAFRO C[C@H]([NH3+])c1cc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)ccc1F ZINC000169698680 562867442 /nfs/dbraw/zinc/86/74/42/562867442.db2.gz SKBMSEQBZNGIIU-SFHVURJKSA-N 1 0 547.660 4.415 1 0 KIAFRO C[C@@H]([NH3+])c1cc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)ccc1F ZINC000169698681 562867449 /nfs/dbraw/zinc/86/74/49/562867449.db2.gz GTBDKVWREPFEGQ-GOSISDBHSA-N 1 0 547.660 4.415 1 0 KIAFRO C[C@H]([NH3+])c1cc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)ccc1F ZINC000169698682 562867436 /nfs/dbraw/zinc/86/74/36/562867436.db2.gz GTBDKVWREPFEGQ-SFHVURJKSA-N 1 0 547.660 4.415 1 0 KIAFRO C[NH2+][C@@H]1CCCN(c2c(NC(=O)c3nc(-c4cc(C)ccc4F)sc3N)cnn2CC(F)F)CC1 ZINC000169699271 562867565 /nfs/dbraw/zinc/86/75/65/562867565.db2.gz CHAZIRWSRQNYRW-CQSZACIVSA-N 1 0 507.586 4.132 1 0 KIAFRO C[NH2+][C@H]1CCCN(c2c(NC(=O)c3nc(-c4cc(C)ccc4F)sc3N)cnn2CC(F)F)CC1 ZINC000169699288 562867575 /nfs/dbraw/zinc/86/75/75/562867575.db2.gz CHAZIRWSRQNYRW-AWEZNQCLSA-N 1 0 507.586 4.132 1 0 KIAFRO Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CC[C@H]([NH3+])CC(F)(F)C1 ZINC000169699393 562867580 /nfs/dbraw/zinc/86/75/80/562867580.db2.gz YYANEKLBNXOSKC-NSHDSACASA-N 1 0 509.533 4.017 1 0 KIAFRO Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CC[C@@H]([NH3+])CC(F)(F)C1 ZINC000169699394 562867576 /nfs/dbraw/zinc/86/75/76/562867576.db2.gz YYANEKLBNXOSKC-LLVKDONJSA-N 1 0 509.533 4.017 1 0 KIAFRO CC1(C)[NH2+][C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000169700233 562867638 /nfs/dbraw/zinc/86/76/38/562867638.db2.gz OWIHIJVRYXBFOS-KMTOBGAYSA-N 1 0 520.432 4.276 1 0 KIAFRO CCC1(CC)[NH2+][C@@H](C(=O)NCCN2CCOCC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000169700237 562867640 /nfs/dbraw/zinc/86/76/40/562867640.db2.gz ORGYNUKDWVRYBJ-ZQIDGUAPSA-N 1 0 563.501 4.085 1 0 KIAFRO O=C(NCCN1CCOCC1)[C@@H]1[NH2+]C2(CCC(F)(F)CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700238 562867642 /nfs/dbraw/zinc/86/76/42/562867642.db2.gz DUUKXUBPZCGIEL-IQANXLHVSA-N 1 0 611.492 4.475 1 0 KIAFRO O=C(NCCN1CCOCC1)[C@@H]1[NH2+]C2(CCC(F)(F)CC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700239 562867650 /nfs/dbraw/zinc/86/76/50/562867650.db2.gz DUUKXUBPZCGIEL-KNAJXNNHSA-N 1 0 611.492 4.475 1 0 KIAFRO O=C(NC1CCC(O)CC1)[C@@H]1[NH2+]C2(CCOCC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700241 562867659 /nfs/dbraw/zinc/86/76/59/562867659.db2.gz PIRIGUPRWKOENE-IOOCNGBKSA-N 1 0 562.469 4.047 1 0 KIAFRO O=C(NC1CCC(O)CC1)[C@@H]1[NH2+]C2(CCOCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700242 562867627 /nfs/dbraw/zinc/86/76/27/562867627.db2.gz PIRIGUPRWKOENE-NVCNRFTOSA-N 1 0 562.469 4.047 1 0 KIAFRO O=C(NCCN1CCOCC1)[C@@H]1[NH2+]C2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700246 562867655 /nfs/dbraw/zinc/86/76/55/562867655.db2.gz ZULOPCMLZWFEKU-ZLZBJJAKSA-N 1 0 575.512 4.229 1 0 KIAFRO CS(=O)(=O)CCN1CCC(NC(=O)[C@@H]2[NH2+]C3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000169700253 562867644 /nfs/dbraw/zinc/86/76/44/562867644.db2.gz DJKVIZGHBJETHE-ZRLKGHKBSA-N 1 0 651.632 4.406 1 0 KIAFRO O=C([O-])C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]C3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000169700265 562867683 /nfs/dbraw/zinc/86/76/83/562867683.db2.gz IQBSUVGURXIBHW-RFJFUGTDSA-N 1 0 603.522 4.446 1 0 KIAFRO CC(=O)N1CC(NC(=O)[C@@H]2[NH2+]C3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1 ZINC000169700266 562867715 /nfs/dbraw/zinc/86/77/15/562867715.db2.gz SDCCOKXGHZANMZ-ZQIDGUAPSA-N 1 0 559.469 4.128 1 0 KIAFRO C[NH+]1CCC(Oc2ncnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5F)c4)nc32)CC1 ZINC000169700779 562867728 /nfs/dbraw/zinc/86/77/28/562867728.db2.gz AYXNKGOCZQARJK-UHFFFAOYSA-N 1 0 546.987 4.292 1 0 KIAFRO Cc1ccc(NC(=O)c2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2cnc(N(C)CCC[NH+](C)C)nc21 ZINC000169700807 562867753 /nfs/dbraw/zinc/86/77/53/562867753.db2.gz LPYCLVTUYSKTEV-UHFFFAOYSA-N 1 0 530.681 4.143 1 0 KIAFRO C[C@@H](c1ccc(F)c(F)c1)[C@@H](C)c1cc(C(=O)NCC[NH+](C)C)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000169701212 562867928 /nfs/dbraw/zinc/86/79/28/562867928.db2.gz YBWTXVGASUAJCX-QZTJIDSGSA-N 1 0 513.585 4.106 1 0 KIAFRO C[C@@H](c1cc(C(=O)NCC[NH+](C)C)cc2c(=O)cc(N3CCOCC3)oc21)[C@H](C)c1ccc(F)c(F)c1 ZINC000169701213 562867924 /nfs/dbraw/zinc/86/79/24/562867924.db2.gz YBWTXVGASUAJCX-ZWKOTPCHSA-N 1 0 513.585 4.106 1 0 KIAFRO C[C@@H](c1ccc(F)c(F)c1)[C@H](C)c1cc(C(=O)NCC[NH+](C)C)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000169701214 562867979 /nfs/dbraw/zinc/86/79/79/562867979.db2.gz YBWTXVGASUAJCX-MSOLQXFVSA-N 1 0 513.585 4.106 1 0 KIAFRO C[C@H](c1ccc(F)c(F)c1)[C@H](C)c1cc(C(=O)NCC[NH+](C)C)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000169701215 562867989 /nfs/dbraw/zinc/86/79/89/562867989.db2.gz YBWTXVGASUAJCX-ROUUACIJSA-N 1 0 513.585 4.106 1 0 KIAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cn[nH]c5)c4)c3)sc2C1 ZINC000169701489 562868047 /nfs/dbraw/zinc/86/80/47/562868047.db2.gz OIBJPIDSCRFVOF-QFIPXVFZSA-N 1 0 500.628 4.134 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1C1CCCC1)CC2 ZINC000169702163 562868233 /nfs/dbraw/zinc/86/82/33/562868233.db2.gz NNLNEHJLLUQHIP-UHFFFAOYSA-N 1 0 515.662 4.210 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1[C@@H](OC)c1ccccc1)CC2 ZINC000169702168 562868200 /nfs/dbraw/zinc/86/82/00/562868200.db2.gz HEYUZYVFHGHMFO-PMERELPUSA-N 1 0 567.694 4.288 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1[C@H](OC)c1ccccc1)CC2 ZINC000169702169 562868202 /nfs/dbraw/zinc/86/82/02/562868202.db2.gz HEYUZYVFHGHMFO-SSEXGKCCSA-N 1 0 567.694 4.288 1 0 KIAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1[C@@H](OC)c1ccccc1)CC2 ZINC000169702170 562868218 /nfs/dbraw/zinc/86/82/18/562868218.db2.gz AGKLNVWOKUIGFC-LJAQVGFWSA-N 1 0 525.657 4.216 1 0 KIAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1[C@H](OC)c1ccccc1)CC2 ZINC000169702171 562868231 /nfs/dbraw/zinc/86/82/31/562868231.db2.gz AGKLNVWOKUIGFC-GDLZYMKVSA-N 1 0 525.657 4.216 1 0 KIAFRO COc1ccccc1Cc1c2c(nn1C)CCc1cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc1-2 ZINC000169702173 562868205 /nfs/dbraw/zinc/86/82/05/562868205.db2.gz DBMVAXOMQRUNTL-UHFFFAOYSA-N 1 0 525.657 4.079 1 0 KIAFRO COc1ccccc1Cc1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc1-2 ZINC000169702174 562868226 /nfs/dbraw/zinc/86/82/26/562868226.db2.gz WXNZVLAGYCFVNA-UHFFFAOYSA-N 1 0 567.694 4.151 1 0 KIAFRO COc1ccc(Cc2c3c(nn2C)CCc2cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)nc2-3)cc1 ZINC000169702179 562868208 /nfs/dbraw/zinc/86/82/08/562868208.db2.gz ZFBRQEZMBKZEIG-UHFFFAOYSA-N 1 0 525.657 4.079 1 0 KIAFRO COc1ccc(Cc2c3c(nn2C)CCc2cnc(Nc4ccc(C(=O)NC5CC[NH+](C)CC5)cc4OC)nc2-3)cc1 ZINC000169702180 562868211 /nfs/dbraw/zinc/86/82/11/562868211.db2.gz KMLOWJBZXPYPFE-UHFFFAOYSA-N 1 0 567.694 4.151 1 0 KIAFRO COc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc1-2 ZINC000169702192 562868289 /nfs/dbraw/zinc/86/82/89/562868289.db2.gz HMONZIQVTZOMKA-UHFFFAOYSA-N 1 0 511.630 4.155 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1occc1C)CC2 ZINC000169702209 562868285 /nfs/dbraw/zinc/86/82/85/562868285.db2.gz HKWWUZGMNXZSCA-UHFFFAOYSA-N 1 0 527.629 4.120 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1CCc1ccccc1)CC2 ZINC000169702233 562868299 /nfs/dbraw/zinc/86/82/99/562868299.db2.gz FTJZHJMIWZNDEI-UHFFFAOYSA-N 1 0 551.695 4.337 1 0 KIAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1CCc1ccccc1)CC2 ZINC000169702234 562868253 /nfs/dbraw/zinc/86/82/53/562868253.db2.gz SYVBCKWFJFPKDR-UHFFFAOYSA-N 1 0 509.658 4.265 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000169702251 562868249 /nfs/dbraw/zinc/86/82/49/562868249.db2.gz JPULRMNUPRFQST-UHFFFAOYSA-N 1 0 523.641 4.219 1 0 KIAFRO COc1cc(C(=O)NCCC[NH+](C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000169702366 562868319 /nfs/dbraw/zinc/86/83/19/562868319.db2.gz LIQZBXBGLZLWNC-UHFFFAOYSA-N 1 0 511.630 4.076 1 0 KIAFRO COCC[NH+]1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3)CC4)c(OC)c2)CC1 ZINC000169702370 562868348 /nfs/dbraw/zinc/86/83/48/562868348.db2.gz OSRMHPBBJLKSMT-UHFFFAOYSA-N 1 0 567.694 4.236 1 0 KIAFRO COCC[NH+]1CCC(NC(=O)c2cc(OC)c(Nc3ncc4c(n3)-c3c(nn(C)c3C(C)C)CC4)cc2C)CC1 ZINC000169702427 562868358 /nfs/dbraw/zinc/86/83/58/562868358.db2.gz MZLNYOIEXWOIAJ-UHFFFAOYSA-N 1 0 547.704 4.000 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c(Cl)cc1Nc1ncc2c(n1)-c1c(nn(C)c1C(C)C)CC2 ZINC000169702428 562868381 /nfs/dbraw/zinc/86/83/81/562868381.db2.gz NVGKSXSAOROSMK-UHFFFAOYSA-N 1 0 524.069 4.329 1 0 KIAFRO COc1cc(C(=O)NCCC[NH+](C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1C)CC2 ZINC000169702449 562868380 /nfs/dbraw/zinc/86/83/80/562868380.db2.gz FROAQGISOGFARI-UHFFFAOYSA-N 1 0 525.657 4.385 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1C(C)C)C[C@@H]2C ZINC000169702479 562868428 /nfs/dbraw/zinc/86/84/28/562868428.db2.gz HXPOBHRYONCJEL-KRWDZBQOSA-N 1 0 503.651 4.236 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1C(C)C)C[C@H]2C ZINC000169702480 562868435 /nfs/dbraw/zinc/86/84/35/562868435.db2.gz HXPOBHRYONCJEL-QGZVFWFLSA-N 1 0 503.651 4.236 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccsc1)CC2 ZINC000169702483 562868441 /nfs/dbraw/zinc/86/84/41/562868441.db2.gz ZOPXNCVTYPLHHQ-UHFFFAOYSA-N 1 0 529.670 4.280 1 0 KIAFRO C[NH2+][C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)[C@@H](c1ccccc1)[C@@H]1C=CC=CC1 ZINC000169702514 562868432 /nfs/dbraw/zinc/86/84/32/562868432.db2.gz CQVSXHCBXXGHAE-IYHNDKLCSA-N 1 0 582.811 4.067 1 0 KIAFRO C[NH2+][C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)[C@H](c1ccccc1)[C@@H]1C=CC=CC1 ZINC000169702515 562868443 /nfs/dbraw/zinc/86/84/43/562868443.db2.gz CQVSXHCBXXGHAE-DNXYURMGSA-N 1 0 582.811 4.067 1 0 KIAFRO CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCN(C(=O)C[NH3+])CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703494 562868802 /nfs/dbraw/zinc/86/88/02/562868802.db2.gz YSRMLAQSSRGSMM-UHFFFAOYSA-N 1 0 562.678 4.220 1 0 KIAFRO CC1(CNc2nc(-c3cc(NC4CCC([NH2+]C5CS(=O)(=O)C5)CC4)ncc3Cl)ccc2F)CCOCC1 ZINC000169703850 562868879 /nfs/dbraw/zinc/86/88/79/562868879.db2.gz KPTVNAYFQMTYFR-UHFFFAOYSA-N 1 0 552.116 4.274 1 0 KIAFRO COCCOc1cc(CC2CC[NH+](CCc3ccc4c(c3)C(=O)C[C@@H](O)O4)CC2)ccc1Br ZINC000169703927 562868856 /nfs/dbraw/zinc/86/88/56/562868856.db2.gz QVPKMBDEMNWGPO-SANMLTNESA-N 1 0 518.448 4.255 1 0 KIAFRO COCCOc1cc(CC2CC[NH+](CCc3ccc4c(c3)C(=O)C[C@H](O)O4)CC2)ccc1Br ZINC000169703928 562868871 /nfs/dbraw/zinc/86/88/71/562868871.db2.gz QVPKMBDEMNWGPO-AREMUKBSSA-N 1 0 518.448 4.255 1 0 KIAFRO COCCOc1cc(CC2CC[NH+](C[C@@H](O)c3ccc4c(c3)C(=O)CCO4)CC2)ccc1Br ZINC000169703929 562868885 /nfs/dbraw/zinc/86/88/85/562868885.db2.gz VDYWEBSSQOGLOQ-XMMPIXPASA-N 1 0 518.448 4.428 1 0 KIAFRO COCCOc1cc(CC2CC[NH+](C[C@H](O)c3ccc4c(c3)C(=O)CCO4)CC2)ccc1Br ZINC000169703930 562868917 /nfs/dbraw/zinc/86/89/17/562868917.db2.gz VDYWEBSSQOGLOQ-DEOSSOPVSA-N 1 0 518.448 4.428 1 0 KIAFRO C#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(N)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)c(=O)n(C)c2)cc1 ZINC000169705447 562869359 /nfs/dbraw/zinc/86/93/59/562869359.db2.gz FJLKTGDDKSVKTJ-HXUWFJFHSA-N 1 0 530.976 4.164 1 0 KIAFRO C#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(N)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)c(=O)n(C)c2)cc1 ZINC000169705448 562869361 /nfs/dbraw/zinc/86/93/61/562869361.db2.gz FJLKTGDDKSVKTJ-FQEVSTJZSA-N 1 0 530.976 4.164 1 0 KIAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@@H](c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169706017 562869816 /nfs/dbraw/zinc/86/98/16/562869816.db2.gz HAYLEQQXEJJTKE-XVUNHUKPSA-N 1 0 545.602 4.058 1 0 KIAFRO CCc1nn(Cc2cccc(O[C@H]3CC[NH2+]C[C@H]3F)n2)c2cccc(NC(=O)c3cnc4ccccn43)c12 ZINC000169706555 562869881 /nfs/dbraw/zinc/86/98/81/562869881.db2.gz SCVCVCIZOKLMNU-DVECYGJZSA-N 1 0 513.577 4.021 1 0 KIAFRO CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[NH+](C(C)C)CC5)ccn43)c12 ZINC000169706570 562869871 /nfs/dbraw/zinc/86/98/71/562869871.db2.gz OAIHCGHCJBYTAV-UHFFFAOYSA-N 1 0 583.741 4.168 1 0 KIAFRO CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(OC5CC[NH+](C)CC5)ccn43)c12 ZINC000169706572 562869896 /nfs/dbraw/zinc/86/98/96/562869896.db2.gz SNVCSOILDYSSCA-UHFFFAOYSA-N 1 0 526.645 4.236 1 0 KIAFRO O[C@@H]1CCC[N@@H+](C2CCN(c3ccc(Nc4ncc5c6ccncc6n(C6CCCC6)c5n4)nn3)CC2)C1 ZINC000169706901 562869905 /nfs/dbraw/zinc/86/99/05/562869905.db2.gz PPJRGLDUXCYWQR-OAQYLSRUSA-N 1 0 513.650 4.054 1 0 KIAFRO O[C@H]1CCC[N@@H+](C2CCN(c3ccc(Nc4ncc5c6ccncc6n(C6CCCC6)c5n4)nn3)CC2)C1 ZINC000169706902 562869907 /nfs/dbraw/zinc/86/99/07/562869907.db2.gz PPJRGLDUXCYWQR-NRFANRHFSA-N 1 0 513.650 4.054 1 0 KIAFRO OC1CC[NH+](C2CCN(c3ccc(Nc4ncc5c6ccncc6n(C6CCCC6)c5n4)nn3)CC2)CC1 ZINC000169706905 562869935 /nfs/dbraw/zinc/86/99/35/562869935.db2.gz DXKQFNWEGVJNQT-UHFFFAOYSA-N 1 0 513.650 4.054 1 0 KIAFRO CN(C)CC[N@H+](C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1 ZINC000169706928 562869933 /nfs/dbraw/zinc/86/99/33/562869933.db2.gz XUPRCCLLUPDTDK-UHFFFAOYSA-N 1 0 514.682 4.090 1 0 KIAFRO CC(C)n1cc(C(=O)c2cncc(NC(=O)[C@@H]([NH3+])Cc3ccc(C(=O)c4ccccc4)cc3)c2)c2cncnc21 ZINC000169707841 562870145 /nfs/dbraw/zinc/87/01/45/562870145.db2.gz TWKLMQDDHTUERC-MHZLTWQESA-N 1 0 532.604 4.378 1 0 KIAFRO Cc1c(C(=O)NCCC[NH+](C)C)sc2ncnc(Nc3ccc(F)cc3OCC3CCOCC3)c12 ZINC000169708368 562870295 /nfs/dbraw/zinc/87/02/95/562870295.db2.gz GZVFLBXDMWLEGI-UHFFFAOYSA-N 1 0 501.628 4.369 1 0 KIAFRO C[C@H](NC(=O)c1cnco1)c1ccc(O[C@@H]2CCN(c3cc[nH+]c(N4CCC(F)(F)C4)c3F)C2)cc1 ZINC000169709647 562870417 /nfs/dbraw/zinc/87/04/17/562870417.db2.gz GGCOIONPJMLFEE-QFBILLFUSA-N 1 0 501.509 4.203 1 0 KIAFRO C[C@H](NC(=O)c1cnco1)c1ccc(O[C@H]2CCN(c3cc[nH+]c(N4CCC(F)(F)C4)c3F)C2)cc1 ZINC000169709648 562870427 /nfs/dbraw/zinc/87/04/27/562870427.db2.gz GGCOIONPJMLFEE-LPHOPBHVSA-N 1 0 501.509 4.203 1 0 KIAFRO CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncc(OC)c3)c3nc(N4CC[NH+](C)CC4)ccc32)c1F ZINC000169709986 562870512 /nfs/dbraw/zinc/87/05/12/562870512.db2.gz WEPJHIJXYRZXRB-UHFFFAOYSA-N 1 0 556.639 4.278 1 0 KIAFRO CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncc(OC)c3)c3nc(N4CC[NH+](CCOC)CC4)ccc32)c1F ZINC000169709987 562870495 /nfs/dbraw/zinc/87/04/95/562870495.db2.gz XYNLRUGZVMUSSG-UHFFFAOYSA-N 1 0 600.692 4.294 1 0 KIAFRO CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncc(OC)c3)c3nc(N(C)C4CC[NH+](C)CC4)cnc32)c1F ZINC000169709988 562870499 /nfs/dbraw/zinc/87/04/99/562870499.db2.gz IIABPOATXMCFIP-UHFFFAOYSA-N 1 0 585.681 4.451 1 0 KIAFRO CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncc(OC)c3)c3nc(N(C)C4CC[NH+](C)CC4)ncc32)c1F ZINC000169709993 562870493 /nfs/dbraw/zinc/87/04/93/562870493.db2.gz OGYLFLLUTHXQGA-UHFFFAOYSA-N 1 0 585.681 4.451 1 0 KIAFRO CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)C4CC[NH+](CC)CC4)ncc32)c1F ZINC000169709996 562870510 /nfs/dbraw/zinc/87/05/10/562870510.db2.gz DZKPRXZJIJDQLW-UHFFFAOYSA-N 1 0 570.670 4.228 1 0 KIAFRO CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)C4CC[NH+](C5CC5)CC4)ncc32)c1F ZINC000169709997 562870486 /nfs/dbraw/zinc/87/04/86/562870486.db2.gz ORMCSYVTCMPLGE-UHFFFAOYSA-N 1 0 582.681 4.370 1 0 KIAFRO Cc1cc(C[N@@H+]2CCCC[C@@H]2CO)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711360 562870875 /nfs/dbraw/zinc/87/08/75/562870875.db2.gz RGDNWCIHGZTXBD-HSZRJFAPSA-N 1 0 540.458 4.123 1 0 KIAFRO Cc1cc(C[N@H+]2CCC[C@@H]2C)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)nc1=O ZINC000169711427 562870884 /nfs/dbraw/zinc/87/08/84/562870884.db2.gz VHGRNBLSDFAHJO-SFHVURJKSA-N 1 0 511.420 4.155 1 0 KIAFRO Cc1cc(C[N@H+]2CCC[C@H]2C)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)nc1=O ZINC000169711428 562870936 /nfs/dbraw/zinc/87/09/36/562870936.db2.gz VHGRNBLSDFAHJO-GOSISDBHSA-N 1 0 511.420 4.155 1 0 KIAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CC[NH+](CCO)CC5)cc4)c3)c(OC)cc21 ZINC000169711490 562870917 /nfs/dbraw/zinc/87/09/17/562870917.db2.gz KFXUCOOECZYUHK-UHFFFAOYSA-N 1 0 543.624 4.449 1 0 KIAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[NH+]5CCC(O)CC5)cc4)c3)c(OC)cc21 ZINC000169711499 562870943 /nfs/dbraw/zinc/87/09/43/562870943.db2.gz QYFNNVCEZUSTNO-UHFFFAOYSA-N 1 0 529.597 4.234 1 0 KIAFRO CC[NH+]1CCN(CCc2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OC)ccn3)cc2)CC1 ZINC000169711501 562870964 /nfs/dbraw/zinc/87/09/64/562870964.db2.gz BCEJUOHPDRUZSJ-UHFFFAOYSA-N 1 0 556.667 4.457 1 0 KIAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(OCC[NH+]5CCC(O)CC5)cc4)c3)c(OC)cc21 ZINC000169711502 562870972 /nfs/dbraw/zinc/87/09/72/562870972.db2.gz LIUISSXPAAHMSN-UHFFFAOYSA-N 1 0 559.623 4.113 1 0 KIAFRO CC[NH+]1CCC(n2cc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OC)ccn3)cn2)CC1 ZINC000169711503 562870974 /nfs/dbraw/zinc/87/09/74/562870974.db2.gz NJYKVEQOGKFALQ-UHFFFAOYSA-N 1 0 517.590 4.130 1 0 KIAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(OC5CC[NH+](CCO)CC5)cc4)c3)c(OC)cc21 ZINC000169711504 562870951 /nfs/dbraw/zinc/87/09/51/562870951.db2.gz SJLSJJYGOLGXMP-UHFFFAOYSA-N 1 0 559.623 4.113 1 0 KIAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CC[NH+](CCO)CC5)cc4)c3)c(OCCOC)cc21 ZINC000169711512 562870978 /nfs/dbraw/zinc/87/09/78/562870978.db2.gz IBHOLSBDZMIPPT-UHFFFAOYSA-N 1 0 587.677 4.465 1 0 KIAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3C[NH+](CCO)C3)cc2)c1 ZINC000169711517 562870954 /nfs/dbraw/zinc/87/09/54/562870954.db2.gz YCLDJRCTMCJCAD-UHFFFAOYSA-N 1 0 573.650 4.075 1 0 KIAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@@H+]5CCC[C@@H]5CO)s4)c3)c(OC)cc21 ZINC000169711525 562870969 /nfs/dbraw/zinc/87/09/69/562870969.db2.gz AGGXMCCELIDCCH-GOSISDBHSA-N 1 0 535.626 4.295 1 0 KIAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@@H+]5CCC[C@H]5CO)s4)c3)c(OC)cc21 ZINC000169711526 562871036 /nfs/dbraw/zinc/87/10/36/562871036.db2.gz AGGXMCCELIDCCH-SFHVURJKSA-N 1 0 535.626 4.295 1 0 KIAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@@H+]5CCC[C@@H]5CO)cc4)c3)c(OC)cc21 ZINC000169711536 562871012 /nfs/dbraw/zinc/87/10/12/562871012.db2.gz REKOTEBQHDEUHB-JOCHJYFZSA-N 1 0 529.597 4.234 1 0 KIAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@@H+]5CCC[C@H]5CO)cc4)c3)c(OC)cc21 ZINC000169711537 562871031 /nfs/dbraw/zinc/87/10/31/562871031.db2.gz REKOTEBQHDEUHB-QFIPXVFZSA-N 1 0 529.597 4.234 1 0 KIAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5C[NH+](CC(C)(C)O)C5)cc4)c3)c(OC)cc21 ZINC000169711545 562871034 /nfs/dbraw/zinc/87/10/34/562871034.db2.gz PMTYQKRERKSUAS-UHFFFAOYSA-N 1 0 543.624 4.447 1 0 KIAFRO CC[NH+]1CCN(CCOc2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OC)ccn3)cc2)CC1 ZINC000169711547 562870997 /nfs/dbraw/zinc/87/09/97/562870997.db2.gz UXTYUPXFOSHGMU-UHFFFAOYSA-N 1 0 572.666 4.293 1 0 KIAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CC[NH+]5CCC(O)CC5)cc4)c3)c(OC)cc21 ZINC000169711548 562871029 /nfs/dbraw/zinc/87/10/29/562871029.db2.gz VMNUAVBCYWFXNS-UHFFFAOYSA-N 1 0 543.624 4.276 1 0 KIAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3C[NH+](C[C@@H](C)O)C3)cc2)c1 ZINC000169711588 562871049 /nfs/dbraw/zinc/87/10/49/562871049.db2.gz KMRDTHLEUZBPGS-OAQYLSRUSA-N 1 0 587.677 4.464 1 0 KIAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3C[NH+](C[C@H](C)O)C3)cc2)c1 ZINC000169711589 562871095 /nfs/dbraw/zinc/87/10/95/562871095.db2.gz KMRDTHLEUZBPGS-NRFANRHFSA-N 1 0 587.677 4.464 1 0 KIAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000169711592 562871063 /nfs/dbraw/zinc/87/10/63/562871063.db2.gz HZCQRDMHIZZLSG-DEOSSOPVSA-N 1 0 573.650 4.250 1 0 KIAFRO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000169711600 562871097 /nfs/dbraw/zinc/87/10/97/562871097.db2.gz HZCQRDMHIZZLSG-XMMPIXPASA-N 1 0 573.650 4.250 1 0 KIAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5C[NH+](C[C@@H](C)O)C5)cc4)c3)c(OCCCOC)cc21 ZINC000169711608 562871083 /nfs/dbraw/zinc/87/10/83/562871083.db2.gz AYIQEIITPFGZHZ-OAQYLSRUSA-N 1 0 587.677 4.464 1 0 KIAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@@H+]5CC[C@H](O)C5)cc4)c3)c(OCCCOC)cc21 ZINC000169711610 562871080 /nfs/dbraw/zinc/87/10/80/562871080.db2.gz UCNVEKCXCXHODV-DEOSSOPVSA-N 1 0 573.650 4.250 1 0 KIAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@@H+]5CC[C@@H](O)C5)cc4)c3)c(OCCCOC)cc21 ZINC000169711611 562871055 /nfs/dbraw/zinc/87/10/55/562871055.db2.gz UCNVEKCXCXHODV-XMMPIXPASA-N 1 0 573.650 4.250 1 0 KIAFRO CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2c(c1)N(C)C[C@](C)(COc1ccc(C(N)=[NH2+])cc1)O2 ZINC000195256074 562871604 /nfs/dbraw/zinc/87/16/04/562871604.db2.gz IQSQCPMGGRPOBO-GDLZYMKVSA-N 1 0 552.578 4.011 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C1 ZINC000195442158 562871872 /nfs/dbraw/zinc/87/18/72/562871872.db2.gz LAGLXUYHYIDDKB-KAMZKSLDSA-N 1 0 562.740 4.081 1 0 KIAFRO COc1cc(/C=C/C(=O)OCCC[N@H+](C)CCCOC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(OC)c1OC ZINC000195504317 562872032 /nfs/dbraw/zinc/87/20/32/562872032.db2.gz HTWXDXZHJBDTKF-HAXKAYBUSA-N 1 0 682.770 4.416 1 0 KIAFRO CO[C@@H](C(=O)O[C@@H]1C=C[C@@]23c4cc5c(cc4C[N@@H+](C[C@H]2OC(=O)[C@@H](OC)c2ccccc2)[C@H]3C1)OCO5)c1ccccc1 ZINC000195522105 562872153 /nfs/dbraw/zinc/87/21/53/562872153.db2.gz UPQVVGROCBSODO-SZTYZQSSSA-N 1 0 583.637 4.410 1 0 KIAFRO CCN1c2ccc(OCCC[N@H+](CCc3cccnc3)Cc3ccncc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000198497728 562872758 /nfs/dbraw/zinc/87/27/58/562872758.db2.gz QEXPFDNRGMLZPW-UHFFFAOYSA-N 1 0 515.658 4.346 1 0 KIAFRO CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]c(-c4cccc(C(F)(F)F)c4)cc32)c1 ZINC000199024793 562872884 /nfs/dbraw/zinc/87/28/84/562872884.db2.gz KTIDFNQTLHQGAM-UHFFFAOYSA-N 1 0 532.548 4.132 1 0 KIAFRO C[NH2+]CCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000199235011 562872935 /nfs/dbraw/zinc/87/29/35/562872935.db2.gz AOQCCSFIEWPXMC-UHFFFAOYSA-N 1 0 556.494 4.317 1 0 in-vitro KIAFRO Cc1cc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000200252455 562873279 /nfs/dbraw/zinc/87/32/79/562873279.db2.gz BUTROGRULWYYMV-UHFFFAOYSA-N 1 0 500.624 4.300 1 0 KIAFRO CC[C@H](OC(=O)N[C@@H]1C[NH2+]C[C@H]1CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C)c1ccccc1 ZINC000200710968 562873379 /nfs/dbraw/zinc/87/33/79/562873379.db2.gz ZMRQCBOLJYFEEJ-NXCFDTQHSA-N 1 0 541.689 4.427 1 0 KIAFRO NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3cccnc32)CC1)C1CCN(C(=O)C=Cc2cc(F)cc(F)c2)CC1 ZINC000201017801 562873488 /nfs/dbraw/zinc/87/34/88/562873488.db2.gz IRACULSBLWDHCB-GICYLXQNSA-N 1 0 521.612 4.263 1 0 KIAFRO NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3cccnc32)CC1)C1CCN(C(=O)C=Cc2cc(F)cc(F)c2)CC1 ZINC000201017843 562873469 /nfs/dbraw/zinc/87/34/69/562873469.db2.gz IRACULSBLWDHCB-ABEUDILDSA-N 1 0 521.612 4.263 1 0 KIAFRO CC[NH+]1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1 ZINC000201623322 562873568 /nfs/dbraw/zinc/87/35/68/562873568.db2.gz JBPHSXBPXNASQE-UHFFFAOYSA-N 1 0 512.580 4.194 1 0 KIAFRO CCc1cc(NC(=O)Nc2ccc(-c3cnc(Nc4cc(N5CC[C@H]([NH3+])C5)nc(C)n4)s3)cc2)no1 ZINC000202135816 562873609 /nfs/dbraw/zinc/87/36/09/562873609.db2.gz DUHSHOMFAWSMPC-INIZCTEOSA-N 1 0 505.608 4.384 1 0 KIAFRO CCc1cc(NC(=O)Nc2ccc(-c3cnc(Nc4cc(N5CC[C@@H]([NH3+])C5)nc(C)n4)s3)cc2)no1 ZINC000202135850 562873604 /nfs/dbraw/zinc/87/36/04/562873604.db2.gz DUHSHOMFAWSMPC-MRXNPFEDSA-N 1 0 505.608 4.384 1 0 KIAFRO CNC(=O)c1cnc(N2CCN(C3CC[NH+]([C@H]4CCc5cc(Cl)ccc54)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000202221315 562873614 /nfs/dbraw/zinc/87/36/14/562873614.db2.gz OGWJKZBNEAPGLN-XDHUDOTRSA-N 1 0 502.490 4.410 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH2+]CC4)c4ccc(C)cc34)cc2)c1C ZINC000203555031 562873985 /nfs/dbraw/zinc/87/39/85/562873985.db2.gz ZJOHCDHMBFDXRZ-UHFFFAOYSA-N 1 0 526.641 4.111 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4CCC[N@@H+](C(C)(C)CO)C4)cc2OCC3)n(C(C)C)n1 ZINC000203793474 562874120 /nfs/dbraw/zinc/87/41/20/562874120.db2.gz MANLYGWZZVOIHV-JOCHJYFZSA-N 1 0 544.704 4.441 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4CCC[N@@H+](C(C)(C)CO)C4)cc2OCC3)n(C(C)C)n1 ZINC000203793485 562874129 /nfs/dbraw/zinc/87/41/29/562874129.db2.gz MANLYGWZZVOIHV-QFIPXVFZSA-N 1 0 544.704 4.441 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4C[C@H]([NH+](C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000203795088 562874156 /nfs/dbraw/zinc/87/41/56/562874156.db2.gz AYZRGQPKPDHNAX-NLFFAJNJSA-N 1 0 516.650 4.273 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4C[C@H]([NH+](C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000203795098 562874117 /nfs/dbraw/zinc/87/41/17/562874117.db2.gz AYZRGQPKPDHNAX-CJFMBICVSA-N 1 0 516.650 4.273 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4C[C@@H]([NH+](C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000203795112 562874136 /nfs/dbraw/zinc/87/41/36/562874136.db2.gz AYZRGQPKPDHNAX-CPJSRVTESA-N 1 0 516.650 4.273 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4C[C@@H]([NH+](C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000203795124 562874116 /nfs/dbraw/zinc/87/41/16/562874116.db2.gz AYZRGQPKPDHNAX-NBGIEHNGSA-N 1 0 516.650 4.273 1 0 KIAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC5(C[C@H]6CC[C@@H](C5)[NH2+]6)OC4=O)cn3)nc2n1C1CCCCC1 ZINC000204065004 562874333 /nfs/dbraw/zinc/87/43/33/562874333.db2.gz FLHVUVWDXFPCBG-WVTGSOKESA-N 1 0 544.660 4.387 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@@H]4CCC[N@@H+](C(C)(C)CO)C4)cc2OCC3)n(C(C)C)n1 ZINC000204419341 562874473 /nfs/dbraw/zinc/87/44/73/562874473.db2.gz XPPGOMOXJOINTN-JOCHJYFZSA-N 1 0 530.677 4.362 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4C[N@@H+](C(C)C)CCN4C)cc2OCC3)n(C(C)C)n1 ZINC000204422900 562874477 /nfs/dbraw/zinc/87/44/77/562874477.db2.gz HPGAEZKPRXMMCW-VWLOTQADSA-N 1 0 529.693 4.188 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4C[N@@H+](C(C)C)CCN4C)cc2OCC3)n(C(C)C)n1 ZINC000204422920 562874452 /nfs/dbraw/zinc/87/44/52/562874452.db2.gz HPGAEZKPRXMMCW-RUZDIDTESA-N 1 0 529.693 4.188 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@H]4CCC[N@@H+](C(C)(C)CO)C4)cc2OCC3)n(C(C)C)n1 ZINC000204423056 562874449 /nfs/dbraw/zinc/87/44/49/562874449.db2.gz XPPGOMOXJOINTN-QFIPXVFZSA-N 1 0 530.677 4.362 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4N4CC[N@H+](C)[C@H](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204425120 562874482 /nfs/dbraw/zinc/87/44/82/562874482.db2.gz PGXUWTLJGWBYGR-VWLOTQADSA-N 1 0 529.693 4.267 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)C)c4CN4CC[NH+](C)CC4)cc2OCC3)n(C(C)C)n1 ZINC000204428651 562874531 /nfs/dbraw/zinc/87/45/31/562874531.db2.gz YOOAXAMXCIPFMK-UHFFFAOYSA-N 1 0 529.693 4.282 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2cnc(-c4cnn(C)c4[C@@H]4CCC[N@@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204429535 562874526 /nfs/dbraw/zinc/87/45/26/562874526.db2.gz GVSJCFDTODWJLS-HXUWFJFHSA-N 1 0 515.666 4.474 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2cnc(-c4cnn(C)c4[C@H]4CCC[N@@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204429552 562874533 /nfs/dbraw/zinc/87/45/33/562874533.db2.gz GVSJCFDTODWJLS-FQEVSTJZSA-N 1 0 515.666 4.474 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2cc(-c4cnn(C)c4[C@@H]4C[C@H]([NH+](C)C)CCO4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000204432325 562874546 /nfs/dbraw/zinc/87/45/46/562874546.db2.gz MKZBCGOMSYAIKJ-CJAUYULYSA-N 1 0 534.640 4.412 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2cc(-c4cnn(C)c4[C@H]4C[C@H]([NH+](C)C)CCO4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000204432342 562874535 /nfs/dbraw/zinc/87/45/35/562874535.db2.gz MKZBCGOMSYAIKJ-IQGLISFBSA-N 1 0 534.640 4.412 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2cc(-c4cnn(C)c4[C@@H]4C[C@@H]([NH+](C)C)CCO4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000204432363 562874522 /nfs/dbraw/zinc/87/45/22/562874522.db2.gz MKZBCGOMSYAIKJ-BVZFJXPGSA-N 1 0 534.640 4.412 1 0 KIAFRO Cc1nc(-c2cn3c(n2)-c2cc(-c4cnn(C)c4[C@H]4C[C@@H]([NH+](C)C)CCO4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000204432382 562874539 /nfs/dbraw/zinc/87/45/39/562874539.db2.gz MKZBCGOMSYAIKJ-AVRWGWEMSA-N 1 0 534.640 4.412 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH2+][C@H](C)C4)c4ccc(C)cc34)cc2)c1C ZINC000204445902 562874509 /nfs/dbraw/zinc/87/45/09/562874509.db2.gz LFFYHIJIYZDTGH-OAQYLSRUSA-N 1 0 540.668 4.499 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH2+][C@@H](C)C4)c4ccc(C)cc34)cc2)c1C ZINC000204445922 562874540 /nfs/dbraw/zinc/87/45/40/562874540.db2.gz LFFYHIJIYZDTGH-NRFANRHFSA-N 1 0 540.668 4.499 1 0 KIAFRO COC[C@@H](NC(=O)OC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C(=O)N(C)C ZINC000205035131 562874805 /nfs/dbraw/zinc/87/48/05/562874805.db2.gz DFVGLXQXMNGSMB-FTJBHMTQSA-N 1 0 537.661 4.019 1 0 KIAFRO NC(=O)n1cc(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NCc2ccc(-c3ccc(Cl)s3)s2)c2ccccc21 ZINC000205047725 562874869 /nfs/dbraw/zinc/87/48/69/562874869.db2.gz BOIAOHJFWQNHQY-UGSOOPFHSA-N 1 0 543.074 4.261 1 0 KIAFRO C[NH2+]C[C@H](Nc1ccccc(C(N)=O)cncn1)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000205143029 562874948 /nfs/dbraw/zinc/87/49/48/562874948.db2.gz BZNBRLIMNHJECW-QFIPXVFZSA-N 1 0 526.519 4.223 1 0 KIAFRO COCCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)cc3)c2cc1NC(=O)/C=C/C[NH+](C)C ZINC000205304382 562875099 /nfs/dbraw/zinc/87/50/99/562875099.db2.gz DXFHXLCLPLZJME-SOFGYWHQSA-N 1 0 528.613 4.429 1 0 KIAFRO Cc1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(CN5CC[NH+](C)CC5)cc4)n[nH]3)cc2C)no1 ZINC000205328191 562875072 /nfs/dbraw/zinc/87/50/72/562875072.db2.gz RFGBGVONINGLAB-UHFFFAOYSA-N 1 0 528.617 4.325 1 0 KIAFRO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)c(C(N)=O)nc2C(C)C)c1 ZINC000205338777 562875139 /nfs/dbraw/zinc/87/51/39/562875139.db2.gz NXOMUJIORBFHSR-UHFFFAOYSA-N 1 0 515.618 4.111 1 0 KIAFRO O=C1NC(=O)N(CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc32)cc1 ZINC000205343389 562875126 /nfs/dbraw/zinc/87/51/26/562875126.db2.gz JMQOJPDBKOMHHD-GDLZYMKVSA-N 1 0 584.698 4.378 1 0 KIAFRO O=C1NC(=O)N(CC2CC[NH+](Cc3ccccc3)CC2)[C@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc32)cc1 ZINC000205343404 562875135 /nfs/dbraw/zinc/87/51/35/562875135.db2.gz JMQOJPDBKOMHHD-LJAQVGFWSA-N 1 0 584.698 4.378 1 0 KIAFRO O=C1NC(=O)N(C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc32)cc1 ZINC000205343420 562875110 /nfs/dbraw/zinc/87/51/10/562875110.db2.gz SIUBGLIPNZJSDH-MUUNZHRXSA-N 1 0 570.671 4.130 1 0 KIAFRO O=C1NC(=O)N(C2CC[NH+](Cc3ccccc3)CC2)[C@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc32)cc1 ZINC000205343436 562875155 /nfs/dbraw/zinc/87/51/55/562875155.db2.gz SIUBGLIPNZJSDH-NDEPHWFRSA-N 1 0 570.671 4.130 1 0 KIAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2O[C@@H](c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000205368386 562875277 /nfs/dbraw/zinc/87/52/77/562875277.db2.gz HAYLEQQXEJJTKE-BQMDKTDGSA-N 1 0 545.602 4.058 1 0 KIAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2O[C@@H](c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000205368417 562875242 /nfs/dbraw/zinc/87/52/42/562875242.db2.gz HAYLEQQXEJJTKE-CCRHVACGSA-N 1 0 545.602 4.058 1 0 KIAFRO CCN(c1cc(-c2ccc(N3CC[NH+](C)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205713396 562875746 /nfs/dbraw/zinc/87/57/46/562875746.db2.gz VGTNAGNTWCIOCW-UHFFFAOYSA-N 1 0 572.754 4.049 1 0 KIAFRO CCN(c1cc(-c2ccc(CN3CC[NH+](C)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205722336 562875827 /nfs/dbraw/zinc/87/58/27/562875827.db2.gz CUXJJRZCKHUNFG-UHFFFAOYSA-N 1 0 586.781 4.045 1 0 KIAFRO CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)C1([NH3+])CC1)C(C)C ZINC000205764238 562875933 /nfs/dbraw/zinc/87/59/33/562875933.db2.gz MKGAXDNUAFVJGI-BZLYQNAUSA-N 1 0 741.012 4.096 1 0 KIAFRO NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2CCC([NH3+])CC2)cc1 ZINC000205769575 562875935 /nfs/dbraw/zinc/87/59/35/562875935.db2.gz VTYBXTOFABINOL-UHFFFAOYSA-N 1 0 500.628 4.314 1 0 KIAFRO CCc1c(C)c2c(nc1C[NH2+]C13CCC(CCc4c(F)cnc5ccc(OC)nc54)(CC1)OC3)NC(=O)CO2 ZINC000205819017 562875961 /nfs/dbraw/zinc/87/59/61/562875961.db2.gz JCEAARQXPIVTFY-UHFFFAOYSA-N 1 0 535.620 4.178 1 0 KIAFRO COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(C(=O)NCC[NH+]3CCCC3)c2C)c(F)c1 ZINC000205833838 562875988 /nfs/dbraw/zinc/87/59/88/562875988.db2.gz NKKNQMFHKZEGQU-KQWNVCNZSA-N 1 0 588.640 4.059 1 0 KIAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cc(NC(=O)NC(=O)c4ccc(OC)cc4F)ccc32)c1C ZINC000205833864 562875983 /nfs/dbraw/zinc/87/59/83/562875983.db2.gz ZEXUWQNOOJARPB-KQWNVCNZSA-N 1 0 590.656 4.305 1 0 KIAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@H]1n1ccnn1 ZINC000207182387 562876654 /nfs/dbraw/zinc/87/66/54/562876654.db2.gz DTOJGRXBNXZBHP-LCNIEQOASA-N 1 0 507.520 4.487 1 0 KIAFRO C[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]([NH3+])[C@@H]1OCCS(C)(=O)=O ZINC000207214102 562876662 /nfs/dbraw/zinc/87/66/62/562876662.db2.gz AYUREZCMYVPMPV-IFRAOVOBSA-N 1 0 562.614 4.084 1 0 KIAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@H]1OCCS(C)(=O)=O ZINC000207214254 562876661 /nfs/dbraw/zinc/87/66/61/562876661.db2.gz AYUREZCMYVPMPV-PSTLZIQHSA-N 1 0 562.614 4.084 1 0 KIAFRO Cc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@H]3C[C@@H](C)[C@@H](OCCS(C)(=O)=O)[C@@H]([NH3+])C3)ccc2F)c(F)c1 ZINC000207214319 562876680 /nfs/dbraw/zinc/87/66/80/562876680.db2.gz KNZWOEPEIQKBJT-TXBASWQMSA-N 1 0 576.641 4.392 1 0 KIAFRO Cc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@H]3C[C@@H]([NH3+])[C@@H](OCCS(C)(=O)=O)[C@@H](C)C3)ccc2F)c(F)c1 ZINC000207228845 562876690 /nfs/dbraw/zinc/87/66/90/562876690.db2.gz KNZWOEPEIQKBJT-JUUYTBMDSA-N 1 0 576.641 4.392 1 0 KIAFRO C[NH+]1CCN(Cc2ccc(C(=O)Nc3sc(Nc4ccc5ccccc5c4)nc3C(N)=O)cc2)CC1 ZINC000207296711 562876716 /nfs/dbraw/zinc/87/67/16/562876716.db2.gz DLCDLTNFAGTBSG-UHFFFAOYSA-N 1 0 500.628 4.139 1 0 KIAFRO C[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]([NH3+])[C@@H]1n1cncn1 ZINC000207302971 562876721 /nfs/dbraw/zinc/87/67/21/562876721.db2.gz NPLDOTMTVQWXCF-GFXIYDJXSA-N 1 0 507.520 4.487 1 0 KIAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@H]1n1cncn1 ZINC000207303015 562876711 /nfs/dbraw/zinc/87/67/11/562876711.db2.gz NPLDOTMTVQWXCF-LCNIEQOASA-N 1 0 507.520 4.487 1 0 KIAFRO COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)[NH3+])nnc2[C@H](Cc2ccccc2)NC(C)=O)cc1 ZINC000209618537 562876901 /nfs/dbraw/zinc/87/69/01/562876901.db2.gz RFENXHFGTAFVTC-XZWHSSHBSA-N 1 0 593.732 4.374 1 0 KIAFRO CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3c[nH+]c(NC[C@H](C)NC(=O)OC)cc3cc2OC)c1F ZINC000210465795 562877016 /nfs/dbraw/zinc/87/70/16/562877016.db2.gz HPLIVFZYIUPVFO-AWEZNQCLSA-N 1 0 522.574 4.497 1 0 KIAFRO C[NH+](C)C/C=C/C(=O)N1CC2(CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c3ncnc4N)C2)C1 ZINC000214199355 562877302 /nfs/dbraw/zinc/87/73/02/562877302.db2.gz YSWLOVMGVYDHPU-RMKNXTFCSA-N 1 0 509.614 4.149 1 0 KIAFRO COC[C@H](NC(=O)OC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C(=O)N(C)C ZINC000214814958 562877316 /nfs/dbraw/zinc/87/73/16/562877316.db2.gz DFVGLXQXMNGSMB-UIOOFZCWSA-N 1 0 537.661 4.019 1 0 KIAFRO COC[C@@H](NC(=O)OC[C@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C(=O)N(C)C ZINC000214815005 562877305 /nfs/dbraw/zinc/87/73/05/562877305.db2.gz DFVGLXQXMNGSMB-CLJLJLNGSA-N 1 0 537.661 4.019 1 0 KIAFRO COC[C@H](NC(=O)OC[C@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2NC1=[NH2+])C(=O)N(C)C ZINC000214815050 562877330 /nfs/dbraw/zinc/87/73/30/562877330.db2.gz DFVGLXQXMNGSMB-IZZNHLLZSA-N 1 0 537.661 4.019 1 0 KIAFRO C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CC[C@@H]([NH+](C)C)C1 ZINC000219426509 562878199 /nfs/dbraw/zinc/87/81/99/562878199.db2.gz NBRHHKSETRXRCP-QGZVFWFLSA-N 1 0 533.036 4.462 1 0 KIAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)sc2C1 ZINC000220411308 562878428 /nfs/dbraw/zinc/87/84/28/562878428.db2.gz OOUVFKZYPAUJPH-JTHBVZDNSA-N 1 0 624.731 4.005 1 0 KIAFRO Cn1c2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc(N)c2cc(-c2c(Cl)cccc2Cl)c1=O ZINC000220455673 562878539 /nfs/dbraw/zinc/87/85/39/562878539.db2.gz ZAPKBDATQCZIDX-UHFFFAOYSA-N 1 0 510.429 4.380 1 0 KIAFRO COc1cc2nc(N3CCC(N(C)C(=O)[C@H]4CCC[NH2+]4)CC3)nc(Nc3ccc(Cl)cc3F)c2cc1OC ZINC000220504416 562878548 /nfs/dbraw/zinc/87/85/48/562878548.db2.gz WEQOJZXISUCIHX-OAQYLSRUSA-N 1 0 543.043 4.362 1 0 KIAFRO C[NH2+][C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)[C@@H](c1ccccc1)[C@H]1C=CC=CC1 ZINC000221217711 562878868 /nfs/dbraw/zinc/87/88/68/562878868.db2.gz CQVSXHCBXXGHAE-DIDQOILCSA-N 1 0 582.811 4.067 1 0 KIAFRO C[NH2+][C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)[C@H](c1ccccc1)[C@H]1C=CC=CC1 ZINC000221217778 562878847 /nfs/dbraw/zinc/87/88/47/562878847.db2.gz CQVSXHCBXXGHAE-XRCDWDDJSA-N 1 0 582.811 4.067 1 0 KIAFRO Cn1ncc(NC(=O)c2csc(-c3c(F)cc([C@H]4CCCO4)cc3F)n2)c1[C@@H]1CC[C@@H]([NH3+])[C@H](F)CO1 ZINC000221414542 562878980 /nfs/dbraw/zinc/87/89/80/562878980.db2.gz QEZYBTCAQWROBF-SMOSDQRPSA-N 1 0 521.565 4.443 1 0 KIAFRO COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)c1ccc(C(N)=[NH2+])cc1)c1cc-2ccn1 ZINC000221616859 562879075 /nfs/dbraw/zinc/87/90/75/562879075.db2.gz IGNDWAZAHWRFBK-ZZTDINLMSA-N 1 0 512.570 4.361 1 0 KIAFRO C[C@H](Cc1cc2ccn(CCCO)c2c(C(N)=O)c1)[NH2+]CCOc1cc(Cl)ccc1OCC(F)(F)F ZINC000221852833 562879326 /nfs/dbraw/zinc/87/93/26/562879326.db2.gz HWLHWHNTJPQILF-MRXNPFEDSA-N 1 0 527.971 4.317 1 0 KIAFRO C=CC(=O)Nc1cccc(-n2c(=O)cc(C(F)(F)F)c3cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)nc32)c1 ZINC000222975821 562879985 /nfs/dbraw/zinc/87/99/85/562879985.db2.gz XPZUKNRZGLALLL-UHFFFAOYSA-N 1 0 579.583 4.428 1 0 KIAFRO C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC(C)C)nc32)c1 ZINC000222981398 562879980 /nfs/dbraw/zinc/87/99/80/562879980.db2.gz KCSPSTCXDZCZFY-UHFFFAOYSA-N 1 0 553.667 4.496 1 0 KIAFRO C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4C)nc32)c1 ZINC000222981481 562880027 /nfs/dbraw/zinc/88/00/27/562880027.db2.gz HWYGNESKQHUAQN-UHFFFAOYSA-N 1 0 509.614 4.017 1 0 KIAFRO C=CC(=O)Nc1cccc(-n2c(=O)cc(CCC)c3cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)nc32)c1 ZINC000222987750 562880059 /nfs/dbraw/zinc/88/00/59/562880059.db2.gz JHNKOTINEQSIRM-UHFFFAOYSA-N 1 0 553.667 4.362 1 0 KIAFRO COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc(C5([NH3+])CCOCC5)n4)o3)nc2s1 ZINC000223007611 562880068 /nfs/dbraw/zinc/88/00/68/562880068.db2.gz XXWNWJJFDQQRCY-UHFFFAOYSA-N 1 0 513.601 4.221 1 0 KIAFRO CN1CC[C@H]([N@H+](C)CC2CCN(c3nc(N4CCCC[C@@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000223009522 562880048 /nfs/dbraw/zinc/88/00/48/562880048.db2.gz MFOWDSSKCHODLN-UKILVPOCSA-N 1 0 547.773 4.055 1 0 KIAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccn5)c4)cc32)c1C ZINC000224258052 562880403 /nfs/dbraw/zinc/88/04/03/562880403.db2.gz XJOOPFAVWTWTIK-JLPGSUDCSA-N 1 0 523.641 4.444 1 0 KIAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1OCCN1CC[NH2+]CC1 ZINC000224928408 562880683 /nfs/dbraw/zinc/88/06/83/562880683.db2.gz NPSWQQVQAAZJMP-UHFFFAOYSA-N 1 0 512.532 4.494 1 0 KIAFRO C[NH+]1CCC(c2cc3c(nccc3-c3nc(NCc4ccc(S(N)(=O)=O)cc4)ccc3Cl)[nH]2)CC1 ZINC000226044890 562880896 /nfs/dbraw/zinc/88/08/96/562880896.db2.gz ZHYLQSOHBJWQEA-UHFFFAOYSA-N 1 0 511.051 4.347 1 0 KIAFRO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CC[N@@H+]3CCCC[C@@H]3C)C(=O)[C@@H]3[C@@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@]32O4)[C@H]1C ZINC000245236532 562881456 /nfs/dbraw/zinc/88/14/56/562881456.db2.gz UCZXFTYSBQUYFD-ALSAXHPUSA-N 1 0 583.173 4.244 1 0 KIAFRO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CC[N@@H+]3CCCC[C@@H]3C)C(=O)[C@@H]3[C@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@]32O4)[C@@H]1C ZINC000245236533 562881468 /nfs/dbraw/zinc/88/14/68/562881468.db2.gz UCZXFTYSBQUYFD-OFBOUHBVSA-N 1 0 583.173 4.244 1 0 KIAFRO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CC[N@@H+]3CCCC[C@@H]3C)C(=O)[C@@H]3[C@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@]32O4)[C@H]1C ZINC000245236534 562881487 /nfs/dbraw/zinc/88/14/87/562881487.db2.gz UCZXFTYSBQUYFD-OKCLZUJVSA-N 1 0 583.173 4.244 1 0 KIAFRO C[C@H](Cc1ccc2c(c1)O[C@](C(=O)OC[C@H]1CCCCO1)(C(=O)OC[C@@H]1CCCCO1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000253633254 562882042 /nfs/dbraw/zinc/88/20/42/562882042.db2.gz HOBFKAMPPUNREC-WBKCPQTRSA-N 1 0 618.123 4.286 1 0 KIAFRO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1cccc2c1C[C@@H]([NH+]1CCC(c3ccccc3)CC1)[C@@H](O)C2 ZINC000253636772 562882367 /nfs/dbraw/zinc/88/23/67/562882367.db2.gz VBSAHTODVWLUOD-WHIZXEAUSA-N 1 0 548.753 4.059 1 0 KIAFRO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1cccc2c1C[C@@H]([NH+]1CCC(c3ccccc3)CC1)[C@H](O)C2 ZINC000253636775 562882360 /nfs/dbraw/zinc/88/23/60/562882360.db2.gz VBSAHTODVWLUOD-YKWXTOPISA-N 1 0 548.753 4.059 1 0 KIAFRO C[N@@H+]1CCC[C@@H](NC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000253637313 581100034 /nfs/dbraw/zinc/10/00/34/581100034.db2.gz FFALBTXIOBRXDI-QPPBQGQZSA-N 1 0 532.914 4.107 1 0 KIAFRO C[N@@H+]1CCC[C@H](NC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000253637315 581100011 /nfs/dbraw/zinc/10/00/11/581100011.db2.gz FFALBTXIOBRXDI-URXFXBBRSA-N 1 0 532.914 4.107 1 0 KIAFRO COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@@H+]([C@@H]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)C[C@@H]1C ZINC000253665574 562882662 /nfs/dbraw/zinc/88/26/62/562882662.db2.gz DKLRSPPRSZUSAH-BLLQJBLSSA-N 1 0 545.650 4.357 1 0 KIAFRO Cc1nc(Cc2nc3ccc(-c4nn([C@H]5CC[C@H]([NH+]6CCOCC6)CC5)c5ncnc(N)c45)cc3[nH]2)cs1 ZINC000253669629 562882713 /nfs/dbraw/zinc/88/27/13/562882713.db2.gz STAAEKNKOMTDTG-MXVIHJGJSA-N 1 0 529.674 4.123 1 0 KIAFRO C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000299823632 562882981 /nfs/dbraw/zinc/88/29/81/562882981.db2.gz RYKMWJWUJDVQOB-JOCHJYFZSA-N 1 0 616.126 4.112 1 0 KIAFRO C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000299823636 562882978 /nfs/dbraw/zinc/88/29/78/562882978.db2.gz RYKMWJWUJDVQOB-QFIPXVFZSA-N 1 0 616.126 4.112 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[C@@H]([NH2+]C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299824012 562883141 /nfs/dbraw/zinc/88/31/41/562883141.db2.gz ADOSOODASHKBNS-HSZRJFAPSA-N 1 0 540.668 4.499 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[C@H]([NH2+]C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299824019 562883154 /nfs/dbraw/zinc/88/31/54/562883154.db2.gz ADOSOODASHKBNS-QHCPKHFHSA-N 1 0 540.668 4.499 1 0 KIAFRO COC(=O)N1CCC(N(C)C(=O)CN(CC(=O)NCC[NH+]2CCCC2)c2cc(Cl)ccc2Oc2ccc(Cl)cc2)CC1 ZINC000299824640 562883309 /nfs/dbraw/zinc/88/33/09/562883309.db2.gz BGZHTFBPJUUZKD-UHFFFAOYSA-N 1 0 620.578 4.493 1 0 KIAFRO CCc1cccc(-c2ccc(C[C@@H](NC(=O)c3ccc(OC)c(COC)c3)C(=O)NCC[NH+](C)C)cc2)c1 ZINC000299824993 562883462 /nfs/dbraw/zinc/88/34/62/562883462.db2.gz FHGWYOLZGNZKKZ-MUUNZHRXSA-N 1 0 517.670 4.090 1 0 KIAFRO CCc1cccc(-c2ccc(C[C@H](NC(=O)c3ccc(OC)c(COC)c3)C(=O)NCC[NH+](C)C)cc2)c1 ZINC000299824994 562883460 /nfs/dbraw/zinc/88/34/60/562883460.db2.gz FHGWYOLZGNZKKZ-NDEPHWFRSA-N 1 0 517.670 4.090 1 0 KIAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CC[NH+](C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000299825083 562883496 /nfs/dbraw/zinc/88/34/96/562883496.db2.gz WBSLDQAQDPOHLL-UHFFFAOYSA-N 1 0 503.565 4.448 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)CC[NH2+]C)c4ccc(C)cc34)cc2)c1C ZINC000299825300 562883526 /nfs/dbraw/zinc/88/35/26/562883526.db2.gz BSXBEWQFUIMPMF-UHFFFAOYSA-N 1 0 528.657 4.357 1 0 KIAFRO C[C@@]1(O)C[C@H](NC(=O)[C@@H]2[NH2+]C3(CCC3)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1 ZINC000299826124 562883772 /nfs/dbraw/zinc/88/37/72/562883772.db2.gz FKMCIDBWGHYKHJ-WASNFIJWSA-N 1 0 518.416 4.030 1 0 KIAFRO C[C@@]1(O)C[C@H](NC(=O)[C@@H]2[NH2+]C3(CCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1 ZINC000299826128 562883777 /nfs/dbraw/zinc/88/37/77/562883777.db2.gz FKMCIDBWGHYKHJ-YHULKKRBSA-N 1 0 518.416 4.030 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@@H](O)C[N@@H+]5C[C@@H]4C)c4ccc(C)cc34)cc2)c1C ZINC000299826555 562883888 /nfs/dbraw/zinc/88/38/88/562883888.db2.gz DLCYGZJMVABJII-WDDWZANVSA-N 1 0 596.732 4.345 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)NCC[NH+](C)C)c4ccc(C)cc34)cc2)c1C ZINC000299827465 562884156 /nfs/dbraw/zinc/88/41/56/562884156.db2.gz FVKOJVJLHWEDJS-UHFFFAOYSA-N 1 0 528.657 4.357 1 0 KIAFRO CC(C)(C)c1nc(N2CC[NH+](CCCCNC(=O)c3nc4ccccc4[nH]3)CC2)cc(C(F)(F)F)n1 ZINC000299827689 562884212 /nfs/dbraw/zinc/88/42/12/562884212.db2.gz GZSHNIANTLMMJR-UHFFFAOYSA-N 1 0 503.573 4.001 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3ccc(C[NH+]5CCCC5)o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000299828790 562884595 /nfs/dbraw/zinc/88/45/95/562884595.db2.gz ITHPHEOUFLJHKX-VQCLQPKNSA-N 1 0 576.646 4.396 1 0 KIAFRO Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCN2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000299828959 562884694 /nfs/dbraw/zinc/88/46/94/562884694.db2.gz HMXOIRBAYFRNIS-GOSISDBHSA-N 1 0 550.503 4.474 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N[C@H]4CC[NH2+]C4)c4ccc(C)cc34)cc2)c1C ZINC000299828973 562884707 /nfs/dbraw/zinc/88/47/07/562884707.db2.gz JSKVQBWLDKBSQH-QFIPXVFZSA-N 1 0 526.641 4.157 1 0 KIAFRO O=C(NCC1CC[NH+](Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1cccc2c1OCCO2 ZINC000299829430 562884882 /nfs/dbraw/zinc/88/48/82/562884882.db2.gz KHEWHPPMWZFSSJ-UHFFFAOYSA-N 1 0 527.687 4.174 1 0 KIAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CC[C@H]4C[NH2+]C[C@H]43)c2)ncc1Cl ZINC000299829685 562884928 /nfs/dbraw/zinc/88/49/28/562884928.db2.gz HVZHUYCJAOSSBB-FDDCHVKYSA-N 1 0 570.119 4.032 1 0 KIAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CC[C@@H]4C[NH2+]C[C@@H]43)c2)ncc1Cl ZINC000299829687 562884970 /nfs/dbraw/zinc/88/49/70/562884970.db2.gz HVZHUYCJAOSSBB-JPYJTQIMSA-N 1 0 570.119 4.032 1 0 KIAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CC[C@H]4C[NH2+]C[C@@H]43)c2)ncc1Cl ZINC000299829689 562884977 /nfs/dbraw/zinc/88/49/77/562884977.db2.gz HVZHUYCJAOSSBB-MBSDFSHPSA-N 1 0 570.119 4.032 1 0 KIAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CC[C@@H]4C[NH2+]C[C@H]43)c2)ncc1Cl ZINC000299829695 562884989 /nfs/dbraw/zinc/88/49/89/562884989.db2.gz HVZHUYCJAOSSBB-WZONZLPQSA-N 1 0 570.119 4.032 1 0 KIAFRO CC(=O)N1CCC(N(C)C(=O)CN(CC(=O)NCC[NH+]2CCCC2)c2cc(Cl)ccc2Oc2ccc(Cl)cc2)CC1 ZINC000299832062 562885778 /nfs/dbraw/zinc/88/57/78/562885778.db2.gz RDOIRCCKHNCLHZ-UHFFFAOYSA-N 1 0 604.579 4.273 1 0 KIAFRO CC(C)CS(=O)(=O)Nc1ccc(C[NH+]2CCC(CNC(=O)c3c4ccccc4n4c3OCCC4)CC2)cc1 ZINC000299832295 562885799 /nfs/dbraw/zinc/88/57/99/562885799.db2.gz UMEQXTHFPFRJNI-UHFFFAOYSA-N 1 0 538.714 4.464 1 0 KIAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]([N@@H+]3CC[C@H](O)C3)[C@@H]21 ZINC000299832832 562885946 /nfs/dbraw/zinc/88/59/46/562885946.db2.gz UDULYXFKIFOLFG-CIMCOABOSA-N 1 0 502.486 4.237 1 0 KIAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]([N@@H+]3CC[C@H](O)C3)[C@H]21 ZINC000299832834 562885992 /nfs/dbraw/zinc/88/59/92/562885992.db2.gz UDULYXFKIFOLFG-SHXYWKPHSA-N 1 0 502.486 4.237 1 0 KIAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]([N@@H+]3CC[C@@H](O)C3)[C@@H]21 ZINC000299832837 562885981 /nfs/dbraw/zinc/88/59/81/562885981.db2.gz UDULYXFKIFOLFG-XFHZLPGWSA-N 1 0 502.486 4.237 1 0 KIAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]([N@@H+]3CC[C@@H](O)C3)[C@H]21 ZINC000299832840 562885974 /nfs/dbraw/zinc/88/59/74/562885974.db2.gz UDULYXFKIFOLFG-YNZATZHVSA-N 1 0 502.486 4.237 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3ccc(C)o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000299833308 562886140 /nfs/dbraw/zinc/88/61/40/562886140.db2.gz RMKQIESLEHGQAX-QNMIOERPSA-N 1 0 507.539 4.108 1 0 KIAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)C(C)(C)[NH3+])c2)ncc1Cl ZINC000299834254 562886434 /nfs/dbraw/zinc/88/64/34/562886434.db2.gz LCCBBQQRBMWQEO-UHFFFAOYSA-N 1 0 503.028 4.475 1 0 KIAFRO CCOc1cc(-c2nc([C@H](C)Sc3nc(N)cc(N)[nH+]3)c(C)s2)ccc1OCCOCCOCCOC ZINC000299834257 562886413 /nfs/dbraw/zinc/88/64/13/562886413.db2.gz LCIRQJMVFQSFQG-KRWDZBQOSA-N 1 0 549.719 4.383 1 0 KIAFRO CCOc1cc(-c2nc([C@@H](C)Sc3nc(N)cc(N)[nH+]3)c(C)s2)ccc1OCCOCCOCCOC ZINC000299834258 562886407 /nfs/dbraw/zinc/88/64/07/562886407.db2.gz LCIRQJMVFQSFQG-QGZVFWFLSA-N 1 0 549.719 4.383 1 0 KIAFRO O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1[NH2+]C2(CCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000299834456 562886465 /nfs/dbraw/zinc/88/64/65/562886465.db2.gz LLFXNWVWHLQBCF-FUSBHDIZSA-N 1 0 532.443 4.420 1 0 KIAFRO O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1[NH2+]C2(CCC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000299834463 562886447 /nfs/dbraw/zinc/88/64/47/562886447.db2.gz LLFXNWVWHLQBCF-KXQGRALWSA-N 1 0 532.443 4.420 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@H]5C[NH2+]C[C@@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299834695 562886531 /nfs/dbraw/zinc/88/65/31/562886531.db2.gz VEUVZWPUAYFUSI-DHIUTWEWSA-N 1 0 552.679 4.357 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[NH2+]C[C@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299834699 562886511 /nfs/dbraw/zinc/88/65/11/562886511.db2.gz VEUVZWPUAYFUSI-GOTSBHOMSA-N 1 0 552.679 4.357 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@H]5C[NH2+]C[C@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299834701 562886502 /nfs/dbraw/zinc/88/65/02/562886502.db2.gz VEUVZWPUAYFUSI-ZRZAMGCNSA-N 1 0 552.679 4.357 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3ccc(C[NH+]5CCCC5)o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000299834746 562886539 /nfs/dbraw/zinc/88/65/39/562886539.db2.gz VIYLHWXDTNHWHG-ALMBTRMVSA-N 1 0 562.619 4.093 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@H]5CC[NH2+][C@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299835503 562886857 /nfs/dbraw/zinc/88/68/57/562886857.db2.gz WGAPCDSWQVWORV-DFHRPNOPSA-N 1 0 552.679 4.499 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5[NH2+]CC[C@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299835506 562886871 /nfs/dbraw/zinc/88/68/71/562886871.db2.gz WGAPCDSWQVWORV-DWACAAAGSA-N 1 0 552.679 4.499 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5CC[NH2+][C@@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299835507 562886878 /nfs/dbraw/zinc/88/68/78/562886878.db2.gz WGAPCDSWQVWORV-RBISFHTESA-N 1 0 552.679 4.499 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@H]5CC[NH2+][C@@H]5C4)c4ccc(C)cc34)cc2)c1C ZINC000299835510 562886863 /nfs/dbraw/zinc/88/68/63/562886863.db2.gz WGAPCDSWQVWORV-SKCUWOTOSA-N 1 0 552.679 4.499 1 0 KIAFRO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@H]4C[NH2+]5)c4ccc(C)cc34)cc2)c1C ZINC000299835586 562886908 /nfs/dbraw/zinc/88/69/08/562886908.db2.gz WSUHRCFIXFAZFR-UPVQGACJSA-N 1 0 538.652 4.252 1 0 KIAFRO C[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(NC(=O)c3cc(N4CCOCC4)cc(C(F)(F)F)c3)c2)n1 ZINC000299836124 562887004 /nfs/dbraw/zinc/88/70/04/562887004.db2.gz GOUOQSOFAJEGGZ-IBGZPJMESA-N 1 0 581.599 4.154 1 0 KIAFRO C[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(NC(=O)c3ccc(N4CCOCC4)c(C(F)(F)F)c3)c2)n1 ZINC000299836443 562887143 /nfs/dbraw/zinc/88/71/43/562887143.db2.gz GUYYXXVMTRJERW-IBGZPJMESA-N 1 0 581.599 4.154 1 0 KIAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)C3([NH3+])CC3)c2)ncc1Cl ZINC000299837455 562887459 /nfs/dbraw/zinc/88/74/59/562887459.db2.gz OMQJQXGWKUBIPW-UHFFFAOYSA-N 1 0 501.012 4.229 1 0 KIAFRO CC1(C)[NH2+][C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000299837642 562887573 /nfs/dbraw/zinc/88/75/73/562887573.db2.gz OWIHIJVRYXBFOS-MZFOSPSFSA-N 1 0 520.432 4.276 1 0 KIAFRO C[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(NC(=O)c3cc(N4CC[NH+](C)CC4)cc(C(F)(F)F)c3)c2)n1 ZINC000299837825 562887644 /nfs/dbraw/zinc/88/76/44/562887644.db2.gz LECHLVGRAMORSO-FQEVSTJZSA-N 1 0 594.642 4.069 1 0 KIAFRO C[C@@H](C[NH+](C)C)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)NC3COC3)cc2C1=O ZINC000299837871 562887621 /nfs/dbraw/zinc/88/76/21/562887621.db2.gz SGKDVWNJTBGWQC-OWNVZFKLSA-N 1 0 691.867 4.032 1 0 KIAFRO C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CC([NH+](C)C)C1 ZINC000299838844 562887955 /nfs/dbraw/zinc/88/79/55/562887955.db2.gz RFZOHHKCEHQQBE-UHFFFAOYSA-N 1 0 519.009 4.072 1 0 KIAFRO O=C1CCC2=C([C@@H]3Oc4c5c(ccc4O)C[C@H]4[N@@H+](CC6CC6)CC[C@]53[C@@]4(O)C2)N1Cc1cccc(Cl)c1 ZINC000299839100 562888068 /nfs/dbraw/zinc/88/80/68/562888068.db2.gz PYJBFHMNHWLOQN-UJLGHMMASA-N 1 0 519.041 4.296 1 0 KIAFRO CCOc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(OC(F)(F)F)c3)nc2)C(=O)N[C@@H]2CC[NH2+]C2)ccc1C ZINC000299839552 562888217 /nfs/dbraw/zinc/88/82/17/562888217.db2.gz SMNRBVOTAQTPMY-RCZVLFRGSA-N 1 0 556.585 4.174 1 0 KIAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)[C@@H]3CC[NH2+]3)c2)ncc1Cl ZINC000299839567 562888221 /nfs/dbraw/zinc/88/82/21/562888221.db2.gz SOBJVDFONGAIIH-IBGZPJMESA-N 1 0 501.012 4.100 1 0 KIAFRO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)[C@H]3CC[NH2+]3)c2)ncc1Cl ZINC000299839569 562888219 /nfs/dbraw/zinc/88/82/19/562888219.db2.gz SOBJVDFONGAIIH-LJQANCHMSA-N 1 0 501.012 4.100 1 0 KIAFRO COc1ccc(C(=O)Nc2ccccc2OCc2cn(CCN3CCc4cc(OC)c(OC)cc4C3)nn2)cc1 ZINC000299839879 562888329 /nfs/dbraw/zinc/88/83/29/562888329.db2.gz TXCIGRSJLVZHMF-UHFFFAOYSA-N 1 0 543.624 4.194 1 0 KIAFRO NC(=O)c1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)[C@H]3CC[C@H](C[NH3+])CC3)[nH]c2Br)cc1 ZINC000299840339 562888547 /nfs/dbraw/zinc/88/85/47/562888547.db2.gz VBJSWSLMXOIBLE-YYWHXJBOSA-N 1 0 524.463 4.103 1 0 KIAFRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1 ZINC000299840553 562888572 /nfs/dbraw/zinc/88/85/72/562888572.db2.gz VJPPADPJUXWEMC-MTZHBSBLSA-N 1 0 776.968 4.018 1 0 KIAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1cccc(Cc3nccn3-c3ccnc(NC[C@H](C)O)n3)c1)O2 ZINC000299840833 562888668 /nfs/dbraw/zinc/88/86/68/562888668.db2.gz WLPZKDKYYKRFKJ-FZEVHQGJSA-N 1 0 556.667 4.399 1 0 KIAFRO CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)N[C@@H](C)/C=C/C(=O)N1C(=O)C=C(OCc2ccccc2)[C@@H]1C(C)C ZINC000299841183 562888769 /nfs/dbraw/zinc/88/87/69/562888769.db2.gz YKNPYWZTSRCJJX-ZPIIBXSTSA-N 1 0 681.919 4.189 1 0 KIAFRO COc1ccccc1C(=O)Nc1ccccc1OCc1cn(CCN2CCc3cc(OC)c(OC)cc3C2)nn1 ZINC000299841273 562888807 /nfs/dbraw/zinc/88/88/07/562888807.db2.gz YXHCICHXKMFTRB-UHFFFAOYSA-N 1 0 543.624 4.194 1 0 KIAFRO COc1cc2c(cc1OC)CN(CCn1cc(COc3ccccc3NC(=O)c3ccc(C)cc3)nn1)CC2 ZINC000299841281 562888792 /nfs/dbraw/zinc/88/87/92/562888792.db2.gz YYOSBMBWSREKML-UHFFFAOYSA-N 1 0 527.625 4.493 1 0 KIAFRO COCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(OC(F)(F)F)c3)cc2)C(=O)NCC[NH+](C)C)ccc1OC ZINC000299841319 562888836 /nfs/dbraw/zinc/88/88/36/562888836.db2.gz ZEHRNFWJWQMEEQ-AREMUKBSSA-N 1 0 573.612 4.426 1 0 KIAFRO COCc1cc(C(=O)N[C@@H](Cc2ccc(-c3cccc(OC(F)(F)F)c3)cc2)C(=O)NCC[NH+](C)C)ccc1OC ZINC000299841320 562888827 /nfs/dbraw/zinc/88/88/27/562888827.db2.gz ZEHRNFWJWQMEEQ-SANMLTNESA-N 1 0 573.612 4.426 1 0 KIAFRO CCC[N@H+](CCCNC(=O)CCCOc1ccc(CCNc2nc3nc(-c4ccco4)nn3c(N)n2)cc1)CCc1cccc2c1CC(=O)N2 ZINC000299844772 562889395 /nfs/dbraw/zinc/88/93/95/562889395.db2.gz ZVQWUWXUIVQVAR-UHFFFAOYSA-N 1 0 680.814 4.131 1 0 KIAFRO Cn1nccc1-c1cccc(C(=O)N[C@H]2CC[C@H](CC[N@@H+]3CCc4ccc(S(C)(=O)=O)cc4CC3)CC2)c1 ZINC000299845899 562889556 /nfs/dbraw/zinc/88/95/56/562889556.db2.gz LBBQUWUAGWPJCG-MGFGWZDJSA-N 1 0 534.726 4.270 1 0 KIAFRO CC[N@@H+]1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@H]([C@H](OC(C)=O)[C@@H]32)[C@@]1(OC)C[C@H](OC)[C@H]2C[C@H]4[C@@H]1[C@H]2OCc1ccccc1 ZINC000299845985 562889598 /nfs/dbraw/zinc/88/95/98/562889598.db2.gz MPZNHEHDGYFENJ-GUDWNIMCSA-N 1 0 553.740 4.325 1 0 KIAFRO COc1cccc(/C=C/C(=O)N[C@H]2CC[C@H](CC[N@@H+]3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)c1 ZINC000299846346 562889668 /nfs/dbraw/zinc/88/96/68/562889668.db2.gz PFQMUGNELAMXCH-NUYADNILSA-N 1 0 526.699 4.213 1 0 KIAFRO CS(=O)(=O)Oc1ccc2c(c1)CC[N@@H+](CC[C@H]1CC[C@H](NC(=O)c3cccc4ncccc43)CC1)CC2 ZINC000299846549 562889696 /nfs/dbraw/zinc/88/96/96/562889696.db2.gz UFTZKVBEKDPBGS-SAIGFBBZSA-N 1 0 521.683 4.353 1 0 KIAFRO CS(=O)(=O)Oc1ccc2c(c1)CC[N@@H+](CC[C@H]1CC[C@H](NC(=O)/C=C/c3cccc(F)c3)CC1)CC2 ZINC000299846873 562889720 /nfs/dbraw/zinc/88/97/20/562889720.db2.gz SSFMZMLRDNPXOT-AOJFSQSVSA-N 1 0 514.663 4.343 1 0 KIAFRO COc1ccccc1/C=C/C(=O)N[C@H]1CC[C@H](CC[N@@H+]2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1 ZINC000299847093 562889820 /nfs/dbraw/zinc/88/98/20/562889820.db2.gz XBEFTADDFPJGTJ-OBEGXNAASA-N 1 0 526.699 4.213 1 0 KIAFRO C[N@@H+]1CCc2cc(-c3ccc4oc5c(c4c3)n(CCN3CCC[C@H]3C(N)=O)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000299849076 562890431 /nfs/dbraw/zinc/89/04/31/562890431.db2.gz UTOMVINEBKPXSA-MHZLTWQESA-N 1 0 547.659 4.414 1 0 KIAFRO O=C(Nc1c(F)cccc1Cl)c1cnc(Nc2ccc(N3CC[NH2+]CC3)cc2)nc1NC[C@@H]1CCCO1 ZINC000299850600 562890653 /nfs/dbraw/zinc/89/06/53/562890653.db2.gz BZBLBRCKDWYYQD-IBGZPJMESA-N 1 0 526.016 4.266 1 0 KIAFRO O=C(Nc1c(F)cccc1Cl)c1cnc(Nc2ccc(N3CC[NH2+]CC3)cc2)nc1NC[C@H]1CCCO1 ZINC000299850601 562890661 /nfs/dbraw/zinc/89/06/61/562890661.db2.gz BZBLBRCKDWYYQD-LJQANCHMSA-N 1 0 526.016 4.266 1 0 KIAFRO O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3cc4c(c(Cl)c3Cl)OCCO4)(CC1)CO2 ZINC000299851724 562890809 /nfs/dbraw/zinc/89/08/09/562890809.db2.gz JBNYOYNYGNDXAC-RCSZBHJWSA-N 1 0 562.425 4.077 1 0 KIAFRO O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3c(Cl)cc4c(c3Cl)OCCO4)(CC1)CO2 ZINC000299851750 562890787 /nfs/dbraw/zinc/89/07/87/562890787.db2.gz JIYYTYAJDBFNPB-RCSZBHJWSA-N 1 0 562.425 4.077 1 0 KIAFRO O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3cc(Cl)c4c(c3Cl)OCCO4)(CC1)CO2 ZINC000299852126 562890839 /nfs/dbraw/zinc/89/08/39/562890839.db2.gz NRYIJYCROVNGBI-RCSZBHJWSA-N 1 0 562.425 4.077 1 0 KIAFRO CCC[N@H+](CCCNc1nc(Oc2ccc(CCNc3nc4nc(-c5ccco5)nn4c(N)n3)cc2)nc(N2CCOCC2)n1)CCc1cccc2c1CC(=O)N2 ZINC000299853102 562891061 /nfs/dbraw/zinc/89/10/61/562891061.db2.gz FTMRVTRKAANZIN-UHFFFAOYSA-N 1 0 774.891 4.081 1 0 KIAFRO Cn1c2ccc(C(=O)OCOC(=O)C(C)(C)C)cc2c2nc(N3CCC[C@@H]([NH3+])C3)n(Cc3ccccc3Cl)c2c1=O ZINC000299853475 562891172 /nfs/dbraw/zinc/89/11/72/562891172.db2.gz LBAYNIYOEDZUSE-HXUWFJFHSA-N 1 0 580.085 4.221 1 0 KIAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CC[NH+](C)C)O5)ccc2OC)c1 ZINC000299853985 562891248 /nfs/dbraw/zinc/89/12/48/562891248.db2.gz SJSAOKQUEXCFFW-RUZDIDTESA-N 1 0 543.576 4.381 1 0 KIAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CC[NH+](C)C)O5)ccc2OC)c1 ZINC000299853986 562891259 /nfs/dbraw/zinc/89/12/59/562891259.db2.gz SJSAOKQUEXCFFW-VWLOTQADSA-N 1 0 543.576 4.381 1 0 KIAFRO Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)cc1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000299854620 562891442 /nfs/dbraw/zinc/89/14/42/562891442.db2.gz AGXGPEHLCQUKNN-IZEXYCQBSA-N 1 0 591.668 4.049 1 0 KIAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2OC(=O)N(C)Cc2ccccc2N2CCCC2)C(C)C)ccc1OC ZINC000299855269 562891623 /nfs/dbraw/zinc/89/16/23/562891623.db2.gz AVSGFIKKJYKTKT-JTSJOTPCSA-N 1 0 596.769 4.418 1 0 KIAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000299856441 562891954 /nfs/dbraw/zinc/89/19/54/562891954.db2.gz BXZHVTJFVSGDSS-LJAQVGFWSA-N 1 0 540.689 4.420 1 0 KIAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6cc(C(F)(F)F)cnc65)(CC3)OC4)nc2N1 ZINC000299856558 562891962 /nfs/dbraw/zinc/89/19/62/562891962.db2.gz CTNBGVIPBVIIHQ-UHFFFAOYSA-N 1 0 531.510 4.318 1 0 KIAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6cc(C(F)(F)F)cnc56)(CC3)OC4)nc2N1 ZINC000299857194 562892105 /nfs/dbraw/zinc/89/21/05/562892105.db2.gz DUYSYYLKFVSLPK-UHFFFAOYSA-N 1 0 513.520 4.179 1 0 KIAFRO C[N@H+](CCNCc1cn(CCc2c[nH]c3ccccc23)nn1)CCNc1ccnc2cc(Cl)ccc21 ZINC000299857237 562892144 /nfs/dbraw/zinc/89/21/44/562892144.db2.gz DYUWYZKFXCLZLZ-UHFFFAOYSA-N 1 0 503.054 4.337 1 0 KIAFRO Cc1ccc(N(CCC[N@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000299857328 562892165 /nfs/dbraw/zinc/89/21/65/562892165.db2.gz NABRBUNCQKXEBI-HSZRJFAPSA-N 1 0 579.182 4.389 1 0 KIAFRO Cc1ccc(N(CCC[N@H+]2CCN(Cc3ccc(F)cc3)C[C@@H]2C)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000299857329 562892188 /nfs/dbraw/zinc/89/21/88/562892188.db2.gz NABRBUNCQKXEBI-QHCPKHFHSA-N 1 0 579.182 4.389 1 0 KIAFRO O=C(Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1)OCCCC[NH+]1CCOCC1 ZINC000299857519 562892264 /nfs/dbraw/zinc/89/22/64/562892264.db2.gz FIFFKGUJOGLHFQ-UHFFFAOYSA-N 1 0 519.577 4.036 1 0 KIAFRO CC(C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(OCCF)cc2CN1 ZINC000299858376 562892438 /nfs/dbraw/zinc/89/24/38/562892438.db2.gz GLYMNHHFYBKIMM-XNCYAKTISA-N 1 0 511.682 4.195 1 0 KIAFRO COc1cc(COCc2cn(Cc3cc(-c4ccc(C)cc4)cnc3N3CCOCC3)nn2)cc(OC)c1OC ZINC000299858768 562892528 /nfs/dbraw/zinc/89/25/28/562892528.db2.gz GWOLIDYMBVMMSM-UHFFFAOYSA-N 1 0 545.640 4.276 1 0 KIAFRO CCCC[C@H]([NH3+])C(=O)Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)ccc1N ZINC000299859128 562892602 /nfs/dbraw/zinc/89/26/02/562892602.db2.gz HNWIOZGMMTUVKP-LSYYVWMOSA-N 1 0 541.652 4.291 1 0 KIAFRO C[N@H+](CCNCc1cn(-c2ccc(Br)cc2)nn1)CCNc1ccnc2cc(Cl)ccc21 ZINC000299859830 562892824 /nfs/dbraw/zinc/89/28/24/562892824.db2.gz IKKLMKQAQQEPCS-UHFFFAOYSA-N 1 0 514.859 4.365 1 0 KIAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5ccnc6ccc(C(F)(F)F)nc56)(CC3)OC4)nc2N1 ZINC000299861121 562893156 /nfs/dbraw/zinc/89/31/56/562893156.db2.gz KLQSQCOFPGFUBN-UHFFFAOYSA-N 1 0 513.520 4.179 1 0 KIAFRO C[N@H+](CCNCc1cn(CC(=O)Nc2cccc3ccc(O)cc32)nn1)CCNc1ccnc2cc(Cl)ccc21 ZINC000299861202 562893248 /nfs/dbraw/zinc/89/32/48/562893248.db2.gz KWYNYKBIBXMIAA-UHFFFAOYSA-N 1 0 559.074 4.111 1 0 KIAFRO CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)cc1N ZINC000299861396 562893326 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ZINC000299862472 562893564 /nfs/dbraw/zinc/89/35/64/562893564.db2.gz NBEYMASGZMDTNM-NDEPHWFRSA-N 1 0 598.656 4.114 1 0 KIAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(Br)c(NC2CCCC2)n1 ZINC000299862525 562893630 /nfs/dbraw/zinc/89/36/30/562893630.db2.gz NGMASQMWULRKGR-UHFFFAOYSA-N 1 0 503.445 4.170 1 0 KIAFRO O=C(CCCC[NH+]1CCN(c2ccccc2-c2ccccc2)CC1)N1Cc2ccccc2C[C@H]1C(=O)N1CCOCC1 ZINC000299862694 562893650 /nfs/dbraw/zinc/89/36/50/562893650.db2.gz KBEYRUZEFAMHGP-XIFFEERXSA-N 1 0 566.746 4.458 1 0 KIAFRO COc1nc2c(cc1C(F)(F)F)ncc(F)c2CCC12CCC([NH2+]Cc3ccc4c(n3)NC(=O)CO4)(CC1)CO2 ZINC000299863016 562893740 /nfs/dbraw/zinc/89/37/40/562893740.db2.gz OKSOTUSSUOYWLI-UHFFFAOYSA-N 1 0 561.536 4.326 1 0 KIAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCCN3CC[NH+](C)CC3)O5)ccc2OC)c1 ZINC000299863636 562893890 /nfs/dbraw/zinc/89/38/90/562893890.db2.gz PKOLOOFCTFPFCC-GDLZYMKVSA-N 1 0 612.683 4.457 1 0 KIAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCCN3CC[NH+](C)CC3)O5)ccc2OC)c1 ZINC000299863638 562893874 /nfs/dbraw/zinc/89/38/74/562893874.db2.gz PKOLOOFCTFPFCC-LJAQVGFWSA-N 1 0 612.683 4.457 1 0 KIAFRO COc1ccc2ncc(C(F)(F)F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000299864186 562894053 /nfs/dbraw/zinc/89/40/53/562894053.db2.gz QRJUHNJTEGVWCR-UHFFFAOYSA-N 1 0 543.546 4.187 1 0 KIAFRO CCC[N@H+](CCCNC(=O)CCCC(=O)Oc1ccc(CCNc2nc3nc(-c4ccco4)nn3c(N)n2)cc1)CCc1cccc2c1CC(=O)N2 ZINC000299864317 562894084 /nfs/dbraw/zinc/89/40/84/562894084.db2.gz MCVRJCMPRFQPOR-UHFFFAOYSA-N 1 0 708.824 4.047 1 0 KIAFRO C[N@H+](CCNCc1cn(Cc2ccc(Br)cc2)nn1)CCNc1ccnc2cc(Cl)ccc21 ZINC000299864448 562894112 /nfs/dbraw/zinc/89/41/12/562894112.db2.gz RGNXSVZVIIMGKH-UHFFFAOYSA-N 1 0 528.886 4.424 1 0 KIAFRO CN1CC[NH+](CCCCCOC(=O)Nc2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)CC1 ZINC000299864521 562894149 /nfs/dbraw/zinc/89/41/49/562894149.db2.gz RQBZZEDXQSBJPJ-UHFFFAOYSA-N 1 0 546.647 4.341 1 0 KIAFRO CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)cc1N ZINC000299864699 562894196 /nfs/dbraw/zinc/89/41/96/562894196.db2.gz RXOGKCBIUZQTIE-LSYYVWMOSA-N 1 0 541.652 4.147 1 0 KIAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCN3CC[NH+](C)CC3)O5)ccc2OC)c1 ZINC000299864918 562894245 /nfs/dbraw/zinc/89/42/45/562894245.db2.gz SDVIQLAIXHKBLY-MUUNZHRXSA-N 1 0 598.656 4.067 1 0 KIAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCN3CC[NH+](C)CC3)O5)ccc2OC)c1 ZINC000299864919 562894265 /nfs/dbraw/zinc/89/42/65/562894265.db2.gz SDVIQLAIXHKBLY-NDEPHWFRSA-N 1 0 598.656 4.067 1 0 KIAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2OC(=O)N(C)Cc2nc3ccccc3s2)C(C)C)ccc1OC ZINC000299865129 562894357 /nfs/dbraw/zinc/89/43/57/562894357.db2.gz NHWKJCHVHGEEBJ-BKMJKUGQSA-N 1 0 584.739 4.427 1 0 KIAFRO CN1CCN(c2ccc(NC(=O)C3(C(=O)Nc4ccc(-c5cccc6onc(N)c65)cc4)CC3)cc2F)CC1 ZINC000299865414 562894408 /nfs/dbraw/zinc/89/44/08/562894408.db2.gz NSGPVUXWBIURMV-UHFFFAOYSA-N 1 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VSTRNYWGJFOSRR-PMERELPUSA-N 1 0 510.682 4.475 1 0 KIAFRO COc1cc2oc(-c3cccc(OC(=O)N4CCN(Cc5ccccc5)CC4)c3)cc(=O)c2c(O)c1OC ZINC000299871462 562895679 /nfs/dbraw/zinc/89/56/79/562895679.db2.gz YPQSERDLWNCLCI-UHFFFAOYSA-N 1 0 516.550 4.499 1 0 KIAFRO COC(=O)C/C=C\[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1S(=O)(=O)c1cc(Br)c(Br)s1)[C@@H]23 ZINC000299871894 562895793 /nfs/dbraw/zinc/89/57/93/562895793.db2.gz ZJRKRNBJCNOYDP-ABEUPQFOSA-N 1 0 582.380 4.256 1 0 KIAFRO CCOC(=O)c1c(-c2ccccc2)n(O)c2ccc(CN3CCN(C/C=C/c4ccccc4)CC3)cc2[n+]1=O ZINC000377820006 562896199 /nfs/dbraw/zinc/89/61/99/562896199.db2.gz GICXIUBTLXREFX-FMIVXFBMSA-N 1 0 525.629 4.468 1 0 KIAFRO CCOC(=O)CNc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086042 562897004 /nfs/dbraw/zinc/89/70/04/562897004.db2.gz AOAWLZXTQLXDGR-HHHXNRCGSA-N 1 0 531.653 4.137 1 0 KIAFRO CCOC(=O)CNc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086049 562897012 /nfs/dbraw/zinc/89/70/12/562897012.db2.gz AOAWLZXTQLXDGR-MHZLTWQESA-N 1 0 531.653 4.137 1 0 KIAFRO COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCC[NH+]2CCN(CCO)CC2)COC1=O ZINC000473086058 562897007 /nfs/dbraw/zinc/89/70/07/562897007.db2.gz GQFNBDOTWMZMJN-MTZNQXOKSA-N 1 0 752.858 4.244 1 0 KIAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1[C@@H]1CC[N@H+](C)C1 ZINC000473087297 562897163 /nfs/dbraw/zinc/89/71/63/562897163.db2.gz DZVODHNZQRKXON-GOSISDBHSA-N 1 0 562.140 4.469 1 0 KIAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1[C@H]1CC[N@H+](C)C1 ZINC000473087301 562897158 /nfs/dbraw/zinc/89/71/58/562897158.db2.gz DZVODHNZQRKXON-SFHVURJKSA-N 1 0 562.140 4.469 1 0 KIAFRO C=CC(=O)Nc1cccc(CNc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)ncc2C(F)(F)F)c1 ZINC000473087669 562897218 /nfs/dbraw/zinc/89/72/18/562897218.db2.gz GIUPAIJHRMXOJM-UHFFFAOYSA-N 1 0 541.578 4.158 1 0 KIAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1C[NH+](C)C1 ZINC000473089072 562897405 /nfs/dbraw/zinc/89/74/05/562897405.db2.gz KIACLBDTRHULJJ-UHFFFAOYSA-N 1 0 548.113 4.079 1 0 KIAFRO CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2ccc(C3CC[NH+](C)CC3)cc2OC2CC2)ncc1Cl ZINC000473089311 562897407 /nfs/dbraw/zinc/89/74/07/562897407.db2.gz KXAMYGHDZLCUNH-UHFFFAOYSA-N 1 0 560.124 4.305 1 0 KIAFRO CC[C@@H]1C(=O)N(C(C)C)c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc2N1C1CCCC1 ZINC000473090017 562897448 /nfs/dbraw/zinc/89/74/48/562897448.db2.gz UIVFXESKAIRNPQ-XMMPIXPASA-N 1 0 549.720 4.335 1 0 KIAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1[C@H]1CC[NH2+]C1 ZINC000473090271 562897539 /nfs/dbraw/zinc/89/75/39/562897539.db2.gz NVAMBYHKVPLGDI-KRWDZBQOSA-N 1 0 548.113 4.127 1 0 KIAFRO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1[C@@H]1CC[NH2+]C1 ZINC000473090272 562897538 /nfs/dbraw/zinc/89/75/38/562897538.db2.gz NVAMBYHKVPLGDI-QGZVFWFLSA-N 1 0 548.113 4.127 1 0 KIAFRO CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(F)c(C3CC[NH+](C)CC3)cc2OC2CC2)ncc1Cl ZINC000473095980 562897859 /nfs/dbraw/zinc/89/78/59/562897859.db2.gz YAQXMGUVJWQEBR-UHFFFAOYSA-N 1 0 578.114 4.444 1 0 KIAFRO C=CC(=O)Nc1cccc(CNc2nc(Nc3cc(C)c(N4CC[NH+](C)CC4)cc3OC)ncc2Cl)c1 ZINC000473097138 562897945 /nfs/dbraw/zinc/89/79/45/562897945.db2.gz CCQGIKRMNZWJHU-UHFFFAOYSA-N 1 0 522.053 4.101 1 0 KIAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OCC(F)(F)F)nc65)(CC3)OC4)nc2N1 ZINC000473098218 562897973 /nfs/dbraw/zinc/89/79/73/562897973.db2.gz FNMQWAJVVVNDOF-UHFFFAOYSA-N 1 0 561.536 4.240 1 0 KIAFRO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(C[C@H](CC)c2ccccc2)C(=O)C1=O ZINC000473098445 562898007 /nfs/dbraw/zinc/89/80/07/562898007.db2.gz FZUNFUBTNGTNHB-AWSJBNSNSA-N 1 0 723.915 4.076 1 0 KIAFRO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(C[C@@H](CC)c2ccccc2)C(=O)C1=O ZINC000473099084 562897983 /nfs/dbraw/zinc/89/79/83/562897983.db2.gz FZUNFUBTNGTNHB-KNVKFPPZSA-N 1 0 723.915 4.076 1 0 KIAFRO CCNC(=O)Nc1ccc2c(c1)CCN(CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473100633 562898064 /nfs/dbraw/zinc/89/80/64/562898064.db2.gz IXUBYQKFAWZZCD-AREMUKBSSA-N 1 0 516.642 4.304 1 0 KIAFRO CCNC(=O)Nc1ccc2c(c1)CCN(CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473100634 562898051 /nfs/dbraw/zinc/89/80/51/562898051.db2.gz IXUBYQKFAWZZCD-SANMLTNESA-N 1 0 516.642 4.304 1 0 KIAFRO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCC[N@@H+]1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(ccc2OC)C1 ZINC000473104049 562898144 /nfs/dbraw/zinc/89/81/44/562898144.db2.gz OADACFOUZJRVTL-OBXBIWFYSA-N 1 0 587.717 4.163 1 0 KIAFRO CS(=O)(=O)c1cnc(O[C@H]2CC[C@H](OC3CC[NH+](CC4(C(F)(F)F)CCCC4)CC3)CC2)cn1 ZINC000473106462 562898266 /nfs/dbraw/zinc/89/82/66/562898266.db2.gz XIPBWXALMSQPHS-IYARVYRRSA-N 1 0 505.603 4.174 1 0 KIAFRO C=CC(=O)Nc1cccc(CNc2nc(Nc3ccc(N4CCN(C)CC4)c(Cl)c3)ncc2Cl)c1 ZINC000473106850 562898260 /nfs/dbraw/zinc/89/82/60/562898260.db2.gz YFTFCIRIRKKHTO-UHFFFAOYSA-N 1 0 512.445 4.437 1 0 KIAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccsc4)cs3)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000473108247 562898391 /nfs/dbraw/zinc/89/83/91/562898391.db2.gz LLMQDZUSQOXBEO-UHFFFAOYSA-N 1 0 538.699 4.340 1 0 KIAFRO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CCC23CC4CC(CC(C4)C2)C3)C(=O)C1=O ZINC000473108265 562898371 /nfs/dbraw/zinc/89/83/71/562898371.db2.gz LTJNQSQTVHCHJA-MDPQSTDRSA-N 1 0 753.985 4.489 1 0 KIAFRO CC(=O)Nc1ccc(-c2csc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)c2)cc1 ZINC000473108496 562898396 /nfs/dbraw/zinc/89/83/96/562898396.db2.gz MFUDTIIBKHLZGQ-UHFFFAOYSA-N 1 0 589.722 4.237 1 0 KIAFRO CCC(=O)Nc1cccc(CNc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)ncc2Cl)c1 ZINC000473108886 562898443 /nfs/dbraw/zinc/89/84/43/562898443.db2.gz POVAERGDDAQFQR-UHFFFAOYSA-N 1 0 510.042 4.017 1 0 KIAFRO CC(C)COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000473109458 562898498 /nfs/dbraw/zinc/89/84/98/562898498.db2.gz RSYMUBMANIUBDQ-UHFFFAOYSA-N 1 0 535.620 4.334 1 0 KIAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(-c4cccs4)s3)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000473110367 562898510 /nfs/dbraw/zinc/89/85/10/562898510.db2.gz VRKLDCJKHIPUEP-UHFFFAOYSA-N 1 0 538.699 4.340 1 0 KIAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OC7CCC7)nc65)(CC3)OC4)nc2N1 ZINC000473110936 562898569 /nfs/dbraw/zinc/89/85/69/562898569.db2.gz YBNJBOFVFABRQR-UHFFFAOYSA-N 1 0 533.604 4.230 1 0 KIAFRO Cc1nc(-c2ccsc2)sc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC[NH+](C)C)n(C)c2)n(C)c1 ZINC000473111427 562898584 /nfs/dbraw/zinc/89/85/84/562898584.db2.gz ZKLGFMVUMOLPEI-UHFFFAOYSA-N 1 0 553.714 4.043 1 0 KIAFRO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC23CC4CC(CC(C4)C2)C3)C(=O)C1=O ZINC000473111438 562898599 /nfs/dbraw/zinc/89/85/99/562898599.db2.gz ZLLUKOYZOWEAAX-IMQYSQPFSA-N 1 0 739.958 4.099 1 0 KIAFRO CCN(C(=O)c1ccc(CNc2nc(NCN3CC[NH+](C)CC3)nc(N3CCCc4ccccc43)n2)cc1)c1cccc(C)c1 ZINC000473115327 562899003 /nfs/dbraw/zinc/89/90/03/562899003.db2.gz RUYCJSZYSSBCCM-UHFFFAOYSA-N 1 0 605.791 4.004 1 0 KIAFRO C[NH+](C)CCCNC(=O)c1csc2nc(-c3ccc(NC(=O)N=c4cc(C(C)(C)C)o[nH]4)cc3)cn12 ZINC000473115879 562899088 /nfs/dbraw/zinc/89/90/88/562899088.db2.gz VBYMFAOTZHNONG-UHFFFAOYSA-N 1 0 509.636 4.096 1 0 KIAFRO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc(O)cc2)N(CCC23CC4CC(CC(C4)C2)C3)C(=O)C1=O ZINC000473118828 562899247 /nfs/dbraw/zinc/89/92/47/562899247.db2.gz LTJNQSQTVHCHJA-IQNRKXJZSA-N 1 0 753.985 4.489 1 0 KIAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CCc2ccccc2)c(C)c1 ZINC000473122182 562899474 /nfs/dbraw/zinc/89/94/74/562899474.db2.gz RIFXTQBBKROZDY-SVBPBHIXSA-N 1 0 541.614 4.320 1 0 KIAFRO COCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)/C=C/C[NH+](C)C ZINC000473124713 562899623 /nfs/dbraw/zinc/89/96/23/562899623.db2.gz OILOIHUEWGRDJX-SNAWJCMRSA-N 1 0 518.387 4.357 1 0 KIAFRO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@@H](CC1CCCCC1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C(=O)C1=O ZINC000473126156 562899739 /nfs/dbraw/zinc/89/97/39/562899739.db2.gz ZEPWGRQYGKUKNA-KFIZHRIMSA-N 1 0 669.911 4.442 1 0 KIAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C[NH2+]CCC2 ZINC000473133723 562900400 /nfs/dbraw/zinc/90/04/00/562900400.db2.gz CENVUXSKJJMKIU-UHFFFAOYSA-N 1 0 502.040 4.266 1 0 KIAFRO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC[NH2+]C2 ZINC000473135215 562900657 /nfs/dbraw/zinc/90/06/57/562900657.db2.gz MMJWRPJCZSSSNA-UHFFFAOYSA-N 1 0 502.040 4.266 1 0 KIAFRO [NH3+]CCCC[C@@H]1N[C@@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)[O-])cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135501 562900768 /nfs/dbraw/zinc/90/07/68/562900768.db2.gz IUMNOQFHHMHHNA-IGKIAQTJSA-N 1 0 512.610 4.338 1 0 KIAFRO [NH3+]CCCC[C@@H]1N[C@H](c2ccc3ccccc3c2)c2[nH]c(C(=O)[O-])cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135502 562900806 /nfs/dbraw/zinc/90/08/06/562900806.db2.gz IUMNOQFHHMHHNA-RPLLCQBOSA-N 1 0 512.610 4.338 1 0 KIAFRO [NH3+]CCC[C@@H]1N[C@H](c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)[O-])cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135509 562900781 /nfs/dbraw/zinc/90/07/81/562900781.db2.gz IWZSKBNLFSKRNE-LBNVMWSVSA-N 1 0 524.621 4.461 1 0 KIAFRO CCN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH3+])CC2)S(=O)(=O)c1cnn(C)c1 ZINC000473145357 562901300 /nfs/dbraw/zinc/90/13/00/562901300.db2.gz QCBSTBNGBUOSRO-DHLKQENFSA-N 1 0 537.513 4.416 1 0 KIAFRO CCN(CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH3+])CC2)S(=O)(=O)c1cnn(C)c1 ZINC000473145358 562901282 /nfs/dbraw/zinc/90/12/82/562901282.db2.gz QCBSTBNGBUOSRO-RDGATRHJSA-N 1 0 537.513 4.416 1 0 KIAFRO CCN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H]([NH+]1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000473145562 562901299 /nfs/dbraw/zinc/90/12/99/562901299.db2.gz WZBBSEWGWASASG-WDYNHAJCSA-N 1 0 522.715 4.247 1 0 KIAFRO COc1ccc(C(=O)OCC[NH+](C)C)cc1NC(=O)Nc1cc(-c2cncnc2)ccc1OC(F)(F)F ZINC000473146709 562901362 /nfs/dbraw/zinc/90/13/62/562901362.db2.gz CUEIYPPKIZVBFR-UHFFFAOYSA-N 1 0 519.480 4.413 1 0 KIAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCc2ccccn2)C(C)C)C(C)C)ccc1OC ZINC000473149811 562901559 /nfs/dbraw/zinc/90/15/59/562901559.db2.gz KNAXEEUMFCNUCI-AMEOFWRWSA-N 1 0 557.776 4.420 1 0 KIAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)Cn2cc([C@H](C)O)nn2)C(C)C)C(C)C)ccc1OC ZINC000473150557 562901582 /nfs/dbraw/zinc/90/15/82/562901582.db2.gz MIYPSDMAPABENV-MPPDFTAISA-N 1 0 633.875 4.153 1 0 KIAFRO COc1ccc(C(=O)OCCN2CCOCC2)cc1NC(=O)Nc1cc(-c2cn[nH]c2)ccc1OC(F)(F)F ZINC000473150824 562901579 /nfs/dbraw/zinc/90/15/79/562901579.db2.gz MTFWFGHOFSSYJX-UHFFFAOYSA-N 1 0 549.506 4.117 1 0 KIAFRO CC(=O)N1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)c2cc(CC3Cc4ccccc4C3)ccc21 ZINC000473151890 562901706 /nfs/dbraw/zinc/90/17/06/562901706.db2.gz SDHVKIPCPNNVQK-XZWHSSHBSA-N 1 0 511.666 4.450 1 0 KIAFRO C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Nc1cn(C(N)=O)c2ccccc12)c1cccc(Cl)c1F ZINC000473159184 562902588 /nfs/dbraw/zinc/90/25/88/562902588.db2.gz OSKGASIWENKXDC-SRBBEKPSSA-N 1 0 527.000 4.188 1 0 KIAFRO CNC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](C[NH+](C)C)c2cccc(Cl)c2F)c2ccccc21 ZINC000473159247 562902714 /nfs/dbraw/zinc/90/27/14/562902714.db2.gz XHNFFTZNNDAVLX-VKZMIXJFSA-N 1 0 541.027 4.035 1 0 KIAFRO CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](C[NH+](C)C)c2cccc(Cl)c2F)c2ccccc12 ZINC000473159253 562902732 /nfs/dbraw/zinc/90/27/32/562902732.db2.gz XSNXUFXDRKUNFU-XTUVKROYSA-N 1 0 525.024 4.045 1 0 KIAFRO NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000473164952 562902816 /nfs/dbraw/zinc/90/28/16/562902816.db2.gz GQJNHJAUDJTLRY-HSZRJFAPSA-N 1 0 515.639 4.160 1 0 KIAFRO NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000473164953 562902833 /nfs/dbraw/zinc/90/28/33/562902833.db2.gz GQJNHJAUDJTLRY-QHCPKHFHSA-N 1 0 515.639 4.160 1 0 KIAFRO CN(c1nc(C(N)=O)c(NC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)s1)c1ccc2ccccc2c1 ZINC000473164973 562902881 /nfs/dbraw/zinc/90/28/81/562902881.db2.gz JLEBCNJBVLJHLW-UHFFFAOYSA-N 1 0 500.628 4.167 1 0 KIAFRO NS(=O)(=O)c1ccc(Oc2cnc3ccc(=O)n(CC[NH+]4CCC(c5nc6cc(Cl)ccc6[nH]5)CC4)c3c2)cc1 ZINC000473165488 562902993 /nfs/dbraw/zinc/90/29/93/562902993.db2.gz CQZKMSJQDJBXSU-UHFFFAOYSA-N 1 0 579.082 4.246 1 0 KIAFRO O=C(CN1CCN(c2ccc(C(F)(F)F)cc2)CC1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000473172853 562903337 /nfs/dbraw/zinc/90/33/37/562903337.db2.gz ZFZKHGIBLUJBDD-UHFFFAOYSA-N 1 0 500.487 4.195 1 0 KIAFRO COc1cc(C(F)(F)F)cc(C2=CC[NH2+]CC2)c1-c1cccc2c1CCN(S(=O)(=O)Nc1ccncn1)C2 ZINC000473183392 562903620 /nfs/dbraw/zinc/90/36/20/562903620.db2.gz YWWAYPYVBCLLLY-UHFFFAOYSA-N 1 0 545.587 4.263 1 0 KIAFRO COc1ccc(COc2ccc(Cn3c(N)[nH+]c4cc(-c5cnn(CCN6CCOCC6)c5)ccc43)cc2OC)cc1 ZINC000473210127 562903822 /nfs/dbraw/zinc/90/38/22/562903822.db2.gz DIGOSQFGMNNGOP-UHFFFAOYSA-N 1 0 568.678 4.289 1 0 KIAFRO COc1ccc(COc2ccc(Cn3cnc4cc(-n5cc([C@@H]6CCC[NH2+]C6)nn5)ccc43)cc2OC)cn1 ZINC000473210160 562903799 /nfs/dbraw/zinc/90/37/99/562903799.db2.gz GTADZVOESZXMOQ-JOCHJYFZSA-N 1 0 525.613 4.124 1 0 KIAFRO COc1ccc(COc2ccc(Cn3cnc4cc(-n5cc([C@H]6CCC[NH2+]C6)nn5)ccc43)cc2OC)cn1 ZINC000473210166 562903837 /nfs/dbraw/zinc/90/38/37/562903837.db2.gz GTADZVOESZXMOQ-QFIPXVFZSA-N 1 0 525.613 4.124 1 0 KIAFRO COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(N[C@H]4CC[C@H](C[NH+](C)C)CC4)c3n2)cc(Cl)c1O ZINC000473213146 562903843 /nfs/dbraw/zinc/90/38/43/562903843.db2.gz AAIDWUHMUZVSCG-JCNLHEQBSA-N 1 0 519.067 4.022 1 0 KIAFRO COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(OCC[NH+](C)C)nc4)c3n2)cc(Cl)c1O ZINC000473213492 562903850 /nfs/dbraw/zinc/90/38/50/562903850.db2.gz OFXPODQSPOUHEV-UHFFFAOYSA-N 1 0 507.978 4.368 1 0 KIAFRO COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(Nc4ccc(C[NH+](C)C)cc4)c3n2)cc(Cl)c1O ZINC000473213501 562903871 /nfs/dbraw/zinc/90/38/71/562903871.db2.gz SJDLWDNELRTXQE-UHFFFAOYSA-N 1 0 513.019 4.295 1 0 KIAFRO CC(C)CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000473214336 562903927 /nfs/dbraw/zinc/90/39/27/562903927.db2.gz BDWPNDHQTXTDID-QISNEAOYSA-N 1 0 596.090 4.393 1 0 KIAFRO COc1ccc(COc2ccc(Cn3cnc4cc(N5CCC(C(C)(C)[NH3+])CC5)cnc43)cc2OC)cn1 ZINC000473215282 562903968 /nfs/dbraw/zinc/90/39/68/562903968.db2.gz FHMPZYDTSRUDTD-UHFFFAOYSA-N 1 0 516.646 4.425 1 0 KIAFRO COc1ccc(COc2ccc(Cn3cnc4cc(-c5cnn(C6CC[NH2+]CC6)c5)cnc43)cc2OC)cn1 ZINC000473215523 562904118 /nfs/dbraw/zinc/90/41/18/562904118.db2.gz XEWYVOAMYRLGMQ-UHFFFAOYSA-N 1 0 525.613 4.259 1 0 KIAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473224160 562904177 /nfs/dbraw/zinc/90/41/77/562904177.db2.gz PHXSVGGLTIKXSW-JNDDGGAYSA-N 1 0 630.830 4.113 1 0 KIAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473224161 562904172 /nfs/dbraw/zinc/90/41/72/562904172.db2.gz PHXSVGGLTIKXSW-JWUBDSCHSA-N 1 0 630.830 4.113 1 0 KIAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473224162 562904198 /nfs/dbraw/zinc/90/41/98/562904198.db2.gz PHXSVGGLTIKXSW-NQBDWGITSA-N 1 0 630.830 4.113 1 0 KIAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473224163 562904168 /nfs/dbraw/zinc/90/41/68/562904168.db2.gz PHXSVGGLTIKXSW-VZUYLZFRSA-N 1 0 630.830 4.113 1 0 KIAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C(=O)N(C)[C@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473233244 562904494 /nfs/dbraw/zinc/90/44/94/562904494.db2.gz SIJHZXLBPULCJF-GWOIGVCTSA-N 1 0 644.857 4.422 1 0 KIAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C(=O)N(C)[C@@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473233246 562904524 /nfs/dbraw/zinc/90/45/24/562904524.db2.gz SIJHZXLBPULCJF-KIWNAKGSSA-N 1 0 644.857 4.422 1 0 KIAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C(=O)N(C)[C@@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473233247 562904503 /nfs/dbraw/zinc/90/45/03/562904503.db2.gz SIJHZXLBPULCJF-WURFPMSDSA-N 1 0 644.857 4.422 1 0 KIAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C(=O)N(C)[C@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473233248 562904537 /nfs/dbraw/zinc/90/45/37/562904537.db2.gz SIJHZXLBPULCJF-YFLIQRBPSA-N 1 0 644.857 4.422 1 0 KIAFRO Cn1cnc(-c2ccnc(Nc3cc4cc(C(=O)N[C@H]5CC[C@H]([NH+]6CCOCC6)CC5)[nH]c4c(Cl)c3)n2)c1 ZINC000473236388 562904659 /nfs/dbraw/zinc/90/46/59/562904659.db2.gz CCCDUMWFEJSYFJ-KESTWPANSA-N 1 0 535.052 4.129 1 0 KIAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC[C@@H]2C[C@@H](O)[C@@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000473236448 562904637 /nfs/dbraw/zinc/90/46/37/562904637.db2.gz IKJLGXJWRMJHJV-KFYLRZPBSA-N 1 0 578.512 4.131 1 0 KIAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)N[C@H]2C[C@H](NS(C)(=O)=O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000473236499 562904632 /nfs/dbraw/zinc/90/46/32/562904632.db2.gz NDYCCWGAHKMHEY-KLHMAWPQSA-N 1 0 611.567 4.079 1 0 KIAFRO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000473243771 562904707 /nfs/dbraw/zinc/90/47/07/562904707.db2.gz ALWTVFUIPPAQBH-AJQTZOPKSA-N 1 0 612.771 4.189 1 0 KIAFRO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000473243773 562904718 /nfs/dbraw/zinc/90/47/18/562904718.db2.gz ALWTVFUIPPAQBH-ROJLCIKYSA-N 1 0 612.771 4.189 1 0 KIAFRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000473243774 562904710 /nfs/dbraw/zinc/90/47/10/562904710.db2.gz ALWTVFUIPPAQBH-ZWXJPIIXSA-N 1 0 612.771 4.189 1 0 KIAFRO CCN(c1cc(-c2cnc(N)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473243835 562904726 /nfs/dbraw/zinc/90/47/26/562904726.db2.gz BVSCFGVTGZNTBO-RQNOJGIXSA-N 1 0 531.705 4.211 1 0 KIAFRO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)nc3)cc(N(C)[C@H]3CC[C@@H]([NH3+])CC3)c2C)c(=O)[nH]1 ZINC000473244526 562904883 /nfs/dbraw/zinc/90/48/83/562904883.db2.gz MYZSMHSRYLVWTH-DBAYTGFXSA-N 1 0 572.754 4.243 1 0 KIAFRO O=C(NCc1ccccc1)Nc1ccc(Nc2ncnc3cc(OCCCN4CC[NH+](CCO)CC4)ccc32)cc1 ZINC000473244604 562904866 /nfs/dbraw/zinc/90/48/66/562904866.db2.gz OTNOYFYUHQDZEF-UHFFFAOYSA-N 1 0 555.683 4.074 1 0 KIAFRO O=C(Nc1ccc(Nc2ncnc3cc(OCCCN4CC[NH+](CCO)CC4)ccc32)cc1)NC1CCCCC1 ZINC000473245161 562904929 /nfs/dbraw/zinc/90/49/29/562904929.db2.gz WKQYYQRZLFKGNG-UHFFFAOYSA-N 1 0 547.704 4.206 1 0 KIAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCCc1cc(F)c(Br)c(F)c1)C21CC1 ZINC000653663036 562905898 /nfs/dbraw/zinc/90/58/98/562905898.db2.gz CEFRBRIUVPYLFT-IYRWYFENSA-N 1 0 550.488 4.207 1 0 KIAFRO O=C1NCCN1c1sc2ncnc(N3CCC(COCC[NH+]4CCCC4)CC3)c2c1-c1ccccc1 ZINC000653671419 562906210 /nfs/dbraw/zinc/90/62/10/562906210.db2.gz FPIIKYDXXFILAH-UHFFFAOYSA-N 1 0 506.676 4.217 1 0 KIAFRO O=S1(=O)CCCN1c1sc2ncnc(N3CCC(COCC[NH+]4CCCC4)CC3)c2c1-c1ccccc1 ZINC000653671420 562906188 /nfs/dbraw/zinc/90/61/88/562906188.db2.gz FULSOPXKMHOYDS-UHFFFAOYSA-N 1 0 541.743 4.227 1 0 KIAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C=C2c3cc(-c4[nH]nc5c4cccc5N)ccc3NC2=O)c1C ZINC000653678287 562906290 /nfs/dbraw/zinc/90/62/90/562906290.db2.gz YLBYERPHEDWTCB-QNGOZBTKSA-N 1 0 511.630 4.321 1 0 KIAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(SC)cn4)cc32)c1C ZINC000653679806 562906333 /nfs/dbraw/zinc/90/63/33/562906333.db2.gz UEEVCTWQORRKMU-MOSHPQCFSA-N 1 0 504.660 4.375 1 0 KIAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc5c(c4)CC(=O)N5)cc32)c1C ZINC000653682822 562906420 /nfs/dbraw/zinc/90/64/20/562906420.db2.gz BFLHHWCMDLTXCP-KQWNVCNZSA-N 1 0 511.626 4.357 1 0 KIAFRO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-n4cc(-c5ccccc5)nn4)cc32)c1C ZINC000653682823 562906411 /nfs/dbraw/zinc/90/64/11/562906411.db2.gz CCROBBUGKQLYBN-ULJHMMPZSA-N 1 0 523.641 4.444 1 0 KIAFRO CN1CC[C@@H]([N@H+](C)CC2CCN(c3nc(N4CCCC[C@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653685033 562906421 /nfs/dbraw/zinc/90/64/21/562906421.db2.gz MFOWDSSKCHODLN-NOZRDPDXSA-N 1 0 547.773 4.055 1 0 KIAFRO CN1CC[C@H]([N@H+](C)CC2CCN(c3nc(N4CCCC[C@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653685035 562906475 /nfs/dbraw/zinc/90/64/75/562906475.db2.gz MFOWDSSKCHODLN-ZCYQVOJMSA-N 1 0 547.773 4.055 1 0 KIAFRO Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCC[NH+]1CCN(Cc3cc(O)cc(O)c3)CC1)C2 ZINC000653693459 562906853 /nfs/dbraw/zinc/90/68/53/562906853.db2.gz UUHHPKDLEFNZAP-UHFFFAOYSA-N 1 0 518.662 4.190 1 0 KIAFRO COc1cc(CN2CC[NH+](CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 ZINC000653696824 562907001 /nfs/dbraw/zinc/90/70/01/562907001.db2.gz FWHCOVUYSHAHBM-UHFFFAOYSA-N 1 0 532.689 4.406 1 0 KIAFRO COc1cc(CN2CC[NH+](CCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 ZINC000653696842 562907023 /nfs/dbraw/zinc/90/70/23/562907023.db2.gz IGOVDAPJIXBKMU-UHFFFAOYSA-N 1 0 518.662 4.016 1 0 KIAFRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1cccc(N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000653697634 562907123 /nfs/dbraw/zinc/90/71/23/562907123.db2.gz CBWBSLUIEODKRP-UHFFFAOYSA-N 1 0 513.107 4.419 1 0 KIAFRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000653697657 562907106 /nfs/dbraw/zinc/90/71/06/562907106.db2.gz IIPLNNXKJLLFCH-UHFFFAOYSA-N 1 0 541.117 4.055 1 0 KIAFRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000653697670 562907091 /nfs/dbraw/zinc/90/70/91/562907091.db2.gz LQOJVFVDIIDILZ-UHFFFAOYSA-N 1 0 556.132 4.447 1 0 KIAFRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000653697717 562907154 /nfs/dbraw/zinc/90/71/54/562907154.db2.gz WNRPNBOORDHFSF-UHFFFAOYSA-N 1 0 513.107 4.419 1 0 KIAFRO C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3c(C)nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)nc32)c1 ZINC000653697802 562907159 /nfs/dbraw/zinc/90/71/59/562907159.db2.gz IKPAGBVWKQJVOI-UHFFFAOYSA-N 1 0 539.640 4.026 1 0 KIAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccccc3Cl)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653704187 562907652 /nfs/dbraw/zinc/90/76/52/562907652.db2.gz JBENZIKWVVPXTL-MUUNZHRXSA-N 1 0 592.188 4.445 1 0 KIAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3cccc(Cl)c3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653704194 562907682 /nfs/dbraw/zinc/90/76/82/562907682.db2.gz LZMJKALQYLMCAR-GDLZYMKVSA-N 1 0 592.188 4.445 1 0 KIAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653704233 562907660 /nfs/dbraw/zinc/90/76/60/562907660.db2.gz WKBCYECQDMGYHU-GDLZYMKVSA-N 1 0 592.188 4.445 1 0 KIAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccc(F)cc3F)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653706335 562907843 /nfs/dbraw/zinc/90/78/43/562907843.db2.gz ONZXOLJLOZLPLI-MUUNZHRXSA-N 1 0 593.723 4.069 1 0 KIAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653706356 562907834 /nfs/dbraw/zinc/90/78/34/562907834.db2.gz ZBNXLAXSELTZKZ-GDLZYMKVSA-N 1 0 593.723 4.069 1 0 KIAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N(c1ccccc1)c1ccccc1 ZINC000653714139 562908252 /nfs/dbraw/zinc/90/82/52/562908252.db2.gz AAUPKJITIZNIAU-AJQTZOPKSA-N 1 0 576.697 4.313 1 0 KIAFRO CCOC(=O)c1cc(C(=O)c2ccc(Cl)c(Cl)c2)n2ccc(C(=O)N[C@H]3C[NH+]4CCC3CC4)cc12 ZINC000653721435 562908744 /nfs/dbraw/zinc/90/87/44/562908744.db2.gz XFWHGEIGTBLDQY-NRFANRHFSA-N 1 0 514.409 4.478 1 0 KIAFRO CCOC(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)n2ccc(C(=O)N[C@H]3C[NH+]4CCC3CC4)cc12 ZINC000653722499 562908795 /nfs/dbraw/zinc/90/87/95/562908795.db2.gz YSKPIJFWYCXRBS-NRFANRHFSA-N 1 0 513.516 4.190 1 0 KIAFRO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(O[C@H]3CC[NH2+]C3)nc2N(C)C1=O ZINC000653724732 562908929 /nfs/dbraw/zinc/90/89/29/562908929.db2.gz FRSATDYAMPIXKE-FQEVSTJZSA-N 1 0 526.519 4.373 1 0 KIAFRO COc1ccc(S(=O)(=O)NCC(C)(C)c2cccc3ccc(Br)cc32)cc1N1CC[NH2+]CC1 ZINC000653724736 562908968 /nfs/dbraw/zinc/90/89/68/562908968.db2.gz HSEURCVTQKHGMM-UHFFFAOYSA-N 1 0 532.504 4.277 1 0 KIAFRO Cn1c(SCCC[N@@H+]2C[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)[C@@H]3C2)nnc1-c1cc[nH]c(=O)c1 ZINC000653724985 562908984 /nfs/dbraw/zinc/90/89/84/562908984.db2.gz CRAJXQNFXAOYDL-FXAWDEMLSA-N 1 0 504.582 4.294 1 0 KIAFRO Cn1c(SCCC[N@H+]2C[C@H]3[C@@H](CCN3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1cc[nH]c(=O)c1 ZINC000653724986 562908995 /nfs/dbraw/zinc/90/89/95/562908995.db2.gz CRAJXQNFXAOYDL-PXNSSMCTSA-N 1 0 504.582 4.294 1 0 KIAFRO Cn1c(SCCC[N@@H+]2C[C@H]3CCN(c4ccc(C(F)(F)F)cc4)[C@H]3C2)nnc1-c1cc[nH]c(=O)c1 ZINC000653724987 562908962 /nfs/dbraw/zinc/90/89/62/562908962.db2.gz CRAJXQNFXAOYDL-XLIONFOSSA-N 1 0 504.582 4.294 1 0 KIAFRO Cn1c(SCCC[N@@H+]2C[C@H]3CCN(c4ccc(C(F)(F)F)cc4)[C@@H]3C2)nnc1-c1cc[nH]c(=O)c1 ZINC000653724988 562908973 /nfs/dbraw/zinc/90/89/73/562908973.db2.gz CRAJXQNFXAOYDL-YLJYHZDGSA-N 1 0 504.582 4.294 1 0 KIAFRO Cn1c(SCCC[N@@H+]2C[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)[C@@H]3C2)nnc1-c1ccc(=O)[nH]c1 ZINC000653725066 562909025 /nfs/dbraw/zinc/90/90/25/562909025.db2.gz YTVQOUZRPPUHRV-FXAWDEMLSA-N 1 0 504.582 4.294 1 0 KIAFRO Cn1c(SCCC[N@H+]2C[C@H]3[C@@H](CCN3c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(=O)[nH]c1 ZINC000653725067 562909008 /nfs/dbraw/zinc/90/90/08/562909008.db2.gz YTVQOUZRPPUHRV-PXNSSMCTSA-N 1 0 504.582 4.294 1 0 KIAFRO Cn1c(SCCC[N@@H+]2C[C@H]3CCN(c4ccc(C(F)(F)F)cc4)[C@H]3C2)nnc1-c1ccc(=O)[nH]c1 ZINC000653725068 562909049 /nfs/dbraw/zinc/90/90/49/562909049.db2.gz YTVQOUZRPPUHRV-XLIONFOSSA-N 1 0 504.582 4.294 1 0 KIAFRO Cn1c(SCCC[N@@H+]2C[C@H]3CCN(c4ccc(C(F)(F)F)cc4)[C@@H]3C2)nnc1-c1ccc(=O)[nH]c1 ZINC000653725069 562908998 /nfs/dbraw/zinc/90/89/98/562908998.db2.gz YTVQOUZRPPUHRV-YLJYHZDGSA-N 1 0 504.582 4.294 1 0 KIAFRO COc1ccc(S(=O)(=O)NCC2(c3cccc4ccc(Br)cc43)CC2)cc1N1CC[NH2+]CC1 ZINC000653727862 562909237 /nfs/dbraw/zinc/90/92/37/562909237.db2.gz BAGMCZLXWXOPIX-UHFFFAOYSA-N 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/nfs/dbraw/zinc/91/18/59/562911859.db2.gz GUZKHCVDPAAYFG-UHFFFAOYSA-N 1 0 566.705 4.217 1 0 KIAFRO C[N@@H+]1CCC[C@@H]1CCOCC1CCN(c2nc(N3CC[C@@H](C(N)=O)C3)nc3scc(-c4ccccc4)c32)CC1 ZINC000653778391 562911995 /nfs/dbraw/zinc/91/19/95/562911995.db2.gz IICKMCXHTPRSND-DNQXCXABSA-N 1 0 548.757 4.387 1 0 KIAFRO C[N@@H+]1CCC[C@H]1CCOCC1CCN(c2nc(N3CC[C@@H](C(N)=O)C3)nc3scc(-c4ccccc4)c32)CC1 ZINC000653778392 562912034 /nfs/dbraw/zinc/91/20/34/562912034.db2.gz IICKMCXHTPRSND-RPWUZVMVSA-N 1 0 548.757 4.387 1 0 KIAFRO C[NH+]1CCC(C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c3ncnc4N)C2)CC1 ZINC000653781768 562912189 /nfs/dbraw/zinc/91/21/89/562912189.db2.gz UAHGKVLVIDPPFN-JOCHJYFZSA-N 1 0 511.630 4.373 1 0 KIAFRO CO[C@]12CC[C@@]3(C[C@@H]1C(=O)NCCCCCCNC(=O)CCN1C(=O)c4cccc5c(N)ccc(c54)C1=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1C)[C@H]2O5 ZINC000653781845 562912181 /nfs/dbraw/zinc/91/21/81/562912181.db2.gz XPBZHVDGZAEQBI-SYHAIWAFSA-N 1 0 735.882 4.051 1 0 KIAFRO 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CCC[N@H+](CCN1CCN(Cc2c[nH]c3ccc(Br)cc23)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000653807452 562913717 /nfs/dbraw/zinc/91/37/17/562913717.db2.gz CPIPFYMSMCPKII-FQEVSTJZSA-N 1 0 531.568 4.356 1 0 KIAFRO CCC[N@H+](CCN1CCN(Cc2c[nH]c3ccc(Br)cc23)CC1)[C@@H]1CCc2nc(N)sc2C1 ZINC000653807457 562913706 /nfs/dbraw/zinc/91/37/06/562913706.db2.gz CPIPFYMSMCPKII-HXUWFJFHSA-N 1 0 531.568 4.356 1 0 KIAFRO CCCCn1c2nc3n(c2c(=O)n(CCCC)c1=O)CCCN3CCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000653822836 562914221 /nfs/dbraw/zinc/91/42/21/562914221.db2.gz PCGDFXCJWKWRNP-UHFFFAOYSA-N 1 0 538.737 4.133 1 0 KIAFRO C[C@@H](Cc1cc2ccn(CCCO)c2c(C(N)=O)c1)[NH2+]CCOc1cc(Cl)ccc1OCC(F)(F)F ZINC000653833222 562914606 /nfs/dbraw/zinc/91/46/06/562914606.db2.gz HWLHWHNTJPQILF-INIZCTEOSA-N 1 0 527.971 4.317 1 0 KIAFRO CCc1ccc(OCC(F)(F)F)c(OCC[NH2+][C@H](C)Cc2cc3ccn(CCCO)c3c(C(N)=O)c2)c1 ZINC000653833244 562914620 /nfs/dbraw/zinc/91/46/20/562914620.db2.gz PRXOMQQBQYMDMK-GOSISDBHSA-N 1 0 521.580 4.226 1 0 KIAFRO 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CCCCn1c2nc3n(c2c(=O)n(CCCC)c1=O)CCCN3c1ccc(OCC[NH+](CC)CC)cc1 ZINC000653835445 562914677 /nfs/dbraw/zinc/91/46/77/562914677.db2.gz JSUVPCPAVPGBBK-UHFFFAOYSA-N 1 0 510.683 4.222 1 0 KIAFRO COC(=O)CN1C(=O)N(CCCC[NH+]2CCN(c3ccccc3F)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000653841646 562914884 /nfs/dbraw/zinc/91/48/84/562914884.db2.gz JYQVHRFJPFSMSD-UHFFFAOYSA-N 1 0 558.654 4.109 1 0 KIAFRO COc1cc(CCc2cc(Nc3ncnc4cc(N5CC[NH+](C(C)C)CC5)ccc43)n[nH]2)cc(OC)c1 ZINC000653843494 562915000 /nfs/dbraw/zinc/91/50/00/562915000.db2.gz IHAJBNBGASGRPK-UHFFFAOYSA-N 1 0 501.635 4.429 1 0 KIAFRO Cc1ccccc1Oc1cccc(N2CCCCC2)c1CNC(=[NH2+])NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653843509 562915012 /nfs/dbraw/zinc/91/50/12/562915012.db2.gz PIYROSPMGBVXHM-DEOSSOPVSA-N 1 0 529.641 4.186 1 0 KIAFRO O=C([C@H]1CCCC[NH2+]1)N1CCC2(C1)CCN(c1nccc(NCc3ccc(Cl)cc3Cl)n1)CC2 ZINC000653843516 562915055 /nfs/dbraw/zinc/91/50/55/562915055.db2.gz QHNRPKQSSSAFSM-OAQYLSRUSA-N 1 0 503.478 4.357 1 0 KIAFRO O=C([C@@H]1CCCC[NH2+]1)N1CCC2(C1)CCN(c1nccc(NCc3ccc(Cl)cc3Cl)n1)CC2 ZINC000653845110 562915125 /nfs/dbraw/zinc/91/51/25/562915125.db2.gz QHNRPKQSSSAFSM-NRFANRHFSA-N 1 0 503.478 4.357 1 0 KIAFRO CO[C@]12CC[C@@]3(C[C@@H]1C(=O)NCCCCCCNC(=O)OC(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1C)[C@H]2O5 ZINC000653845362 562915138 /nfs/dbraw/zinc/91/51/38/562915138.db2.gz ZJWLLKDFIVSMLY-WUHZNUJESA-N 1 0 569.743 4.038 1 0 KIAFRO CC[NH+]1CCN(c2cc3ncnc(Nc4cc(CCc5cc(OC)cc(OC)c5)[nH]n4)c3cc2OC)CC1 ZINC000653845364 562915136 /nfs/dbraw/zinc/91/51/36/562915136.db2.gz AQNCDWPAHNGHHS-UHFFFAOYSA-N 1 0 517.634 4.049 1 0 KIAFRO COCCC[N@@H+]1CCCC12CCN(c1c(Cl)cncc1-c1ccc3c(c1)CS(=O)(=O)N3C)CC2 ZINC000653845386 562915145 /nfs/dbraw/zinc/91/51/45/562915145.db2.gz KBJXKLULHUAKPC-UHFFFAOYSA-N 1 0 505.084 4.153 1 0 KIAFRO COc1cc(CCc2cc(Nc3ncnc4cc(N5CCC([NH+](C)C)CC5)ccc43)n[nH]2)cc(OC)c1 ZINC000653847506 562915253 /nfs/dbraw/zinc/91/52/53/562915253.db2.gz KKZQMCOLHGTWLO-UHFFFAOYSA-N 1 0 501.635 4.429 1 0 KIAFRO O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(CC[NH+]4CCCC4)c3)cc1)CC2 ZINC000653847602 562915280 /nfs/dbraw/zinc/91/52/80/562915280.db2.gz AXGBNOWDDQXXDR-UHFFFAOYSA-N 1 0 505.066 4.468 1 0 KIAFRO [NH2+]=C(NCc1c(Oc2ccccc2)cccc1N1CCCCCC1)NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653848313 562915318 /nfs/dbraw/zinc/91/53/18/562915318.db2.gz QRVOOVYLPOJRQZ-VWLOTQADSA-N 1 0 529.641 4.268 1 0 KIAFRO COC(=O)CN1C(=O)N(CCCC[NH+]2CCN(c3ccc(F)cc3)CC2)C2(c3ccccc3-c3ccccc32)C1=O ZINC000653848702 562915328 /nfs/dbraw/zinc/91/53/28/562915328.db2.gz JBUDDMMYFZXCFT-UHFFFAOYSA-N 1 0 556.638 4.089 1 0 KIAFRO COC(=O)CN1C(=O)N(CCCC[NH+]2CCN(c3ccccc3F)CC2)C2(c3ccccc3-c3ccccc32)C1=O ZINC000653848719 562915331 /nfs/dbraw/zinc/91/53/31/562915331.db2.gz LHALDTKOZHFYQD-UHFFFAOYSA-N 1 0 556.638 4.089 1 0 KIAFRO COc1cc(CCc2cc(Nc3ncnc4cc(N5C[C@@H](C)[N@@H+](C)[C@@H](C)C5)ccc43)n[nH]2)cc(OC)c1 ZINC000653849019 562915363 /nfs/dbraw/zinc/91/53/63/562915363.db2.gz YZGHBQVWFXWJBG-KDURUIRLSA-N 1 0 501.635 4.428 1 0 KIAFRO Cc1cccc(Oc2cccc(N3CCCCC3)c2CNC(=[NH2+])NC(=O)c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)c1 ZINC000653850078 562915448 /nfs/dbraw/zinc/91/54/48/562915448.db2.gz JSJUJFCBEAGRDY-VWLOTQADSA-N 1 0 529.641 4.186 1 0 KIAFRO Cc1ccc(Oc2cccc(N3CCCCC3)c2CNC(=[NH2+])NC(=O)c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)cc1 ZINC000653850197 562915475 /nfs/dbraw/zinc/91/54/75/562915475.db2.gz SFHYZDXAOUFOAF-VWLOTQADSA-N 1 0 529.641 4.186 1 0 KIAFRO CC[NH+]1CCN(c2ccc3c(c2)nc(C)nc3Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)CC1 ZINC000653850702 562915506 /nfs/dbraw/zinc/91/55/06/562915506.db2.gz SZVRXGFRYNFABI-UHFFFAOYSA-N 1 0 501.635 4.349 1 0 KIAFRO O=C([C@H]1CCC[NH2+]C1)N1CCC2(C1)CCN(c1nccc(NCc3ccc(Cl)cc3Cl)n1)CC2 ZINC000653854031 562915704 /nfs/dbraw/zinc/91/57/04/562915704.db2.gz PQOZPJUVFNTYPQ-IBGZPJMESA-N 1 0 503.478 4.214 1 0 KIAFRO O=C([C@@H]1CCC[NH2+]C1)N1CCC2(C1)CCN(c1nccc(NCc3ccc(Cl)cc3Cl)n1)CC2 ZINC000653854032 562915702 /nfs/dbraw/zinc/91/57/02/562915702.db2.gz PQOZPJUVFNTYPQ-LJQANCHMSA-N 1 0 503.478 4.214 1 0 KIAFRO CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4ccc(N5CC[NH+](C)CC5)cc4)sc3c2)ccn1 ZINC000653856829 562915746 /nfs/dbraw/zinc/91/57/46/562915746.db2.gz KIVXLGQWIOQALL-UHFFFAOYSA-N 1 0 517.615 4.239 1 0 KIAFRO COc1ccc(/C=C(/C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC[NH+](C)C)n(C)c3)n(C)c2)c2ccc(OC)cc2)cc1 ZINC000653857438 562915773 /nfs/dbraw/zinc/91/57/73/562915773.db2.gz AAMNNWFDCGNKSM-RDRPBHBLSA-N 1 0 612.731 4.494 1 0 KIAFRO C=CC(=O)Nc1cccc(Cn2c3ccccc3nc2-c2nc(-c3cnn(C4CC[NH+](C)CC4)c3)cnc2N)c1 ZINC000653861825 562916041 /nfs/dbraw/zinc/91/60/41/562916041.db2.gz USSKRCQDDVHMIX-UHFFFAOYSA-N 1 0 533.640 4.379 1 0 KIAFRO COc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)cn2)cc1 ZINC000653861940 562916054 /nfs/dbraw/zinc/91/60/54/562916054.db2.gz ZZCHMOKOHPMYEK-YRNVUSSQSA-N 1 0 583.693 4.124 1 0 KIAFRO C=CC(=O)Nc1ccc(Cn2c3ccccc3nc2-c2nc(-c3cnn(C4CC[NH+](C)CC4)c3)cnc2N)cc1 ZINC000653865356 562916190 /nfs/dbraw/zinc/91/61/90/562916190.db2.gz QTRBWHSIUVKLOA-UHFFFAOYSA-N 1 0 533.640 4.379 1 0 KIAFRO COc1cc(-c2nn(CCN3CCC([NH+]4CCCCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C ZINC000653866745 562916278 /nfs/dbraw/zinc/91/62/78/562916278.db2.gz QQHSTSLAVGUPKP-UHFFFAOYSA-N 1 0 550.708 4.381 1 0 KIAFRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1 ZINC000653866796 562916230 /nfs/dbraw/zinc/91/62/30/562916230.db2.gz WDUXPXHDIYWLHP-UHFFFAOYSA-N 1 0 615.204 4.092 1 0 KIAFRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1 ZINC000653866843 562916283 /nfs/dbraw/zinc/91/62/83/562916283.db2.gz ZCTVEBRXLFXVIK-UHFFFAOYSA-N 1 0 586.162 4.246 1 0 KIAFRO COc1cc2nc(NCCC3CCOCC3)nc(Nc3cnc(OCC[NH+](C)C)c(F)c3)c2cc1OC ZINC000653870692 562916367 /nfs/dbraw/zinc/91/63/67/562916367.db2.gz HZUJMUXWWISUFV-UHFFFAOYSA-N 1 0 514.602 4.094 1 0 KIAFRO COc1cccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)cc2)c1 ZINC000653872514 562916483 /nfs/dbraw/zinc/91/64/83/562916483.db2.gz LMNMIPWPYSRZAR-BQYQJAHWSA-N 1 0 567.650 4.103 1 0 KIAFRO C=CC(=O)N(C)c1cccc(-n2c3ccccc3nc2-c2nc(-c3cnn(C4CC[NH+](C)CC4)c3)cnc2N)c1 ZINC000653882109 562916735 /nfs/dbraw/zinc/91/67/35/562916735.db2.gz BZIOAGRFGNNRKD-UHFFFAOYSA-N 1 0 533.640 4.344 1 0 KIAFRO C=CC(=O)Nc1cc(-n2c3ccccc3nc2-c2nc(-c3cnn(C4CC[NH+](C)CC4)c3)cnc2N)ccc1OC ZINC000653882136 562916770 /nfs/dbraw/zinc/91/67/70/562916770.db2.gz KRWMYQAXGQFDBY-UHFFFAOYSA-N 1 0 549.639 4.328 1 0 KIAFRO CCOC(=O)CN1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)c2cc(Cc3ccccc3)ccc21 ZINC000653884675 562916956 /nfs/dbraw/zinc/91/69/56/562916956.db2.gz XOSIMDZXJZLUIP-WUFINQPMSA-N 1 0 515.654 4.100 1 0 KIAFRO C=CC(=O)Nc1ccccc1Cn1c2ccccc2nc1-c1nc(-c2cnn(C3CC[NH+](C)CC3)c2)cnc1N ZINC000653884754 562916971 /nfs/dbraw/zinc/91/69/71/562916971.db2.gz JLBPMMJOCCXZPC-UHFFFAOYSA-N 1 0 533.640 4.379 1 0 KIAFRO C=CC(=O)Nc1ccc(-n2c3ccccc3nc2-c2nc(-c3cnn(C4CC[NH+](C)CC4)c3)cnc2N)cc1 ZINC000653884763 562916924 /nfs/dbraw/zinc/91/69/24/562916924.db2.gz NYZWJLQCFAMHCL-UHFFFAOYSA-N 1 0 519.613 4.319 1 0 KIAFRO O=C(Nc1cc2c(cc1OCC[NH+]1CCCCC1)ncnc2Nc1ccc(F)c(Cl)c1)[C@@H]1COC(=O)N1 ZINC000653889584 562917135 /nfs/dbraw/zinc/91/71/35/562917135.db2.gz PABOJZLNADUBBE-NRFANRHFSA-N 1 0 528.972 4.078 1 0 KIAFRO C=CC(=O)Nc1cccc(-n2c3ccccc3nc2-c2nc(-c3cnn(C4CC[NH+](C)CC4)c3)cnc2N)c1F ZINC000653890198 562917171 /nfs/dbraw/zinc/91/71/71/562917171.db2.gz BQTKEKJEPAKLCF-UHFFFAOYSA-N 1 0 537.603 4.459 1 0 KIAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 ZINC000653890273 562917155 /nfs/dbraw/zinc/91/71/55/562917155.db2.gz LADZEDJLZMYAMP-HEMJVKPTSA-N 1 0 513.723 4.423 1 0 KIAFRO C=CC(=O)Nc1cccc(-n2c3ccccc3nc2-c2nc(-c3cnn(C4CC[NH+](C)CC4)c3)cnc2N)c1 ZINC000653890282 562917175 /nfs/dbraw/zinc/91/71/75/562917175.db2.gz OGPNYMLUGVWOAK-UHFFFAOYSA-N 1 0 519.613 4.319 1 0 KIAFRO C=CC(=O)Nc1ccc(F)c(-n2c3ccccc3nc2-c2nc(-c3cnn(C4CC[NH+](C)CC4)c3)cnc2N)c1 ZINC000653890286 562917158 /nfs/dbraw/zinc/91/71/58/562917158.db2.gz PFNPEPRNIXDOBZ-UHFFFAOYSA-N 1 0 537.603 4.459 1 0 KIAFRO CC(=O)Nc1cccc(-n2c3ccccc3nc2-c2nc(-c3cnn(C4CC[NH+](C)CC4)c3)cnc2N)c1 ZINC000653890338 562917203 /nfs/dbraw/zinc/91/72/03/562917203.db2.gz YJEGLWNTKMTBGD-UHFFFAOYSA-N 1 0 507.602 4.153 1 0 KIAFRO O=C(c1ccc(O[C@H]2CC[NH2+]C2)c(C2CCCCC2)c1)N1CCN(C(=O)c2cc(Br)cc(N3CC[NH2+]CC3)c2)CC1 ZINC000653891190 562917231 /nfs/dbraw/zinc/91/72/31/562917231.db2.gz WSHGDZHNMDUFQR-NDEPHWFRSA-N 1 0 624.624 4.245 1 0 KIAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)COc3ccc(-c4ccc(C(=O)NC)nc4)cc3)cc2C(F)(F)F)CC1 ZINC000653895445 562917371 /nfs/dbraw/zinc/91/73/71/562917371.db2.gz NLJFXMLHZRMOLA-UHFFFAOYSA-N 1 0 555.601 4.282 1 0 KIAFRO CC(C)n1cc(NC(=O)c2cc(NC(=O)c3cnc4ccccc4n3)cn2C)cc1C(=O)Nc1cc(C(=O)NCCC[NH+](C)C)n(C)c1 ZINC000653905308 562917569 /nfs/dbraw/zinc/91/75/69/562917569.db2.gz ZQXSZJZXKPZXGA-UHFFFAOYSA-N 1 0 652.760 4.128 1 0 KIAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC3CC[NH+](Cc5ccccc5)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000003943679 561689643 /nfs/dbraw/zinc/68/96/43/561689643.db2.gz GQMFUALQPLOONU-QIXIFPRPSA-N 1 0 572.658 4.368 3 0 KIAFRO O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009616527 561709226 /nfs/dbraw/zinc/70/92/26/561709226.db2.gz RSZBGFLAYUSUHI-UHFFFAOYSA-N 1 0 524.665 4.163 3 0 KIAFRO O=C(CCC1CCCCC1)NCCN1C2=[NH+]C[C@H](Cc3ccc(O)cc3)N2C[C@H]1Cc1ccc(O)cc1 ZINC000013545597 561718193 /nfs/dbraw/zinc/71/81/93/561718193.db2.gz OGLZKBWPPQZTAO-IZZNHLLZSA-N 1 0 504.675 4.084 3 0 KIAFRO Cc1ccc(C(=O)N[C@@H](C)CN2C3=[NH+]C[C@H](C(C)C)N3C[C@H]2Cc2ccc(O)cc2)cc1Br ZINC000013545604 561718140 /nfs/dbraw/zinc/71/81/40/561718140.db2.gz MSAMZRKEYOZONB-SNYIIPAISA-N 1 0 513.480 4.205 3 0 KIAFRO COc1ccc(C[C@H]2CN3C(=[NH+]C[C@@H]3C(C)C)N2CCNC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000013545638 561718209 /nfs/dbraw/zinc/71/82/09/561718209.db2.gz OWHGVHMSWQFUKQ-XUZZJYLKSA-N 1 0 513.480 4.119 3 0 KIAFRO Cc1ccc(C(=O)NCCN2C3=[NH+]C[C@@H](Cc4ccccc4)N3C[C@H]2Cc2ccc(O)cc2)cc1Br ZINC000017376901 561755070 /nfs/dbraw/zinc/75/50/70/561755070.db2.gz LNPNFKHRZRZERB-JWQCQUIFSA-N 1 0 547.497 4.403 3 0 KIAFRO CCCCCCNC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCC[C@H]1CN2C(=[NH+]C[C@H]2CCC)N1CC1CCC1 ZINC000017376924 561755046 /nfs/dbraw/zinc/75/50/46/561755046.db2.gz YXKNCOFQHBQBFG-IUAQSZDVSA-N 1 0 568.807 4.404 3 0 KIAFRO Cc1ccc(C(=O)NCCN2C3=[NH+]C[C@H](Cc4ccc(O)cc4)N3C[C@H]2Cc2ccc(O)cc2)cc1Br ZINC000017376930 561755195 /nfs/dbraw/zinc/75/51/95/561755195.db2.gz OIHJMXPKPRTWFD-BJKOFHAPSA-N 1 0 563.496 4.108 3 0 KIAFRO COc1ccc(C[C@H]2CN3C(=[NH+]C[C@@H]3Cc3ccc(O)cc3)N2CCNC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000017376947 561755143 /nfs/dbraw/zinc/75/51/43/561755143.db2.gz XYFWXDHCDWJVPP-DQEYMECFSA-N 1 0 577.523 4.411 3 0 KIAFRO CCCCCCNC(=O)N[C@H](C(=O)NCCC[C@H]1CN2C(=[NH+]C[C@H]2C)N1CCC(c1ccccc1)c1ccccc1)[C@@H](C)O ZINC000017376953 561755170 /nfs/dbraw/zinc/75/51/70/561755170.db2.gz YVEHESBJPZPHOZ-BAMUKTOESA-N 1 0 604.840 4.478 3 0 KIAFRO CCCCCCNC(=O)N[C@H](C(=O)NCCC[C@H]1CN2C(=[NH+]C[C@H]2C)N1CCC(c1ccccc1)c1ccccc1)[C@H](C)O ZINC000017376956 561755188 /nfs/dbraw/zinc/75/51/88/561755188.db2.gz YVEHESBJPZPHOZ-YEFZPTPHSA-N 1 0 604.840 4.478 3 0 KIAFRO C[C@@H](CN1C2=[NH+]C[C@H](Cc3ccc(O)cc3)N2C[C@H]1Cc1ccc(O)cc1)NC(=O)CCC1CCCCC1 ZINC000017376968 561755179 /nfs/dbraw/zinc/75/51/79/561755179.db2.gz NETYSLMPKAXDGY-WDDWZANVSA-N 1 0 518.702 4.473 3 0 KIAFRO CC(=O)n1cc([C@H]2C=C(C(=O)N3CCN(Cc4ccccc4)CC3)O[C@@H](OCCCCO)C2)c2ccccc21 ZINC000017527414 561755313 /nfs/dbraw/zinc/75/53/13/561755313.db2.gz ZVBZZSNBJBCMBG-SETSBSEESA-N 1 0 531.653 4.149 3 0 KIAFRO CCO[C@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@@H](c2cn(C(C)=O)c3ccccc23)[C@@H]1CCCO ZINC000017527420 561755333 /nfs/dbraw/zinc/75/53/33/561755333.db2.gz ZMUJCMNHHHWJTR-XKVZAPNPSA-N 1 0 545.680 4.395 3 0 KIAFRO CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@H](c2cn(C(C)=O)c3ccccc23)[C@H]1CCCO ZINC000017527422 561755329 /nfs/dbraw/zinc/75/53/29/561755329.db2.gz ZMUJCMNHHHWJTR-BZNBAONSSA-N 1 0 545.680 4.395 3 0 KIAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4ccnnc4)c3)cc2C(F)(F)F)CC1 ZINC000022935357 561760683 /nfs/dbraw/zinc/76/06/83/561760683.db2.gz DDXUAQVGYUBUHN-UHFFFAOYSA-N 1 0 526.563 4.446 3 0 KIAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4nccn4C)c3)cc2C(F)(F)F)CC1 ZINC000022935360 561760716 /nfs/dbraw/zinc/76/07/16/561760716.db2.gz KTIXNNXLDCWJPA-UHFFFAOYSA-N 1 0 528.579 4.389 3 0 KIAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4ccno4)cc(OC)c3)cc2C(F)(F)F)CC1 ZINC000022952956 561761274 /nfs/dbraw/zinc/76/12/74/561761274.db2.gz YUNDNQXDNXDASQ-UHFFFAOYSA-N 1 0 531.535 4.344 3 0 KIAFRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4nccnc4N)c3)cc2C(F)(F)F)CC1 ZINC000022952966 561761288 /nfs/dbraw/zinc/76/12/88/561761288.db2.gz PDZZONMGHLSPDQ-UHFFFAOYSA-N 1 0 541.578 4.028 3 0 KIAFRO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)c(OC)c1)[N@@H+]1CCC[C@@]21C(=O)OC ZINC000036386504 562060146 /nfs/dbraw/zinc/06/01/46/562060146.db2.gz DBFOQBJWYGTICD-IFOBJOEFSA-N 1 0 517.409 4.352 3 0 KIAFRO COc1cc(-c2cnc3c(NC=O)cc(-c4ccc(N5CC[NH+](C)CC5)cc4)cn23)cc(OC)c1OC ZINC000061906826 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4.406 3 0 KIAFRO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@@H+]2CCC[C@@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccccc2)C(=O)C(=O)N1CC1CCCCC1 ZINC000072142355 562729519 /nfs/dbraw/zinc/72/95/19/562729519.db2.gz IXGUYOJBEJYCBE-KWRMZWAXSA-N 1 0 685.910 4.003 3 0 KIAFRO CCOC(=O)CCCCCC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc1ccccc1)O2 ZINC000072142395 562729503 /nfs/dbraw/zinc/72/95/03/562729503.db2.gz ZBAAUTHHWKPCBE-SAGWHXFDSA-N 1 0 581.754 4.420 3 0 KIAFRO COc1cc(CNc2ncnc3c2ncn3[C@H]2CN(Cc3cccc4ccccc43)C[C@@H](CO)O2)cc(OC)c1OC ZINC000072142869 562729661 /nfs/dbraw/zinc/72/96/61/562729661.db2.gz VGVXPHIFWPHCFE-WNCULLNHSA-N 1 0 570.650 4.009 3 0 KIAFRO CCOC(=O)CCCCCC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@H+](C)Cc1ccc3c(c1)OCO3)O2 ZINC000073312451 562737915 /nfs/dbraw/zinc/73/79/15/562737915.db2.gz YQISQWZRPODNAP-GQIGMWPISA-N 1 0 625.763 4.148 3 0 KIAFRO O=C1[C@H]2[C@@H](c3ccccc3)[NH2+][C@]3(CCCN(Cc4ccc(Br)cc4)C3=O)[C@H]2C(=O)N1Cc1ccccc1 ZINC000073353557 562738310 /nfs/dbraw/zinc/73/83/10/562738310.db2.gz CQWSVTQGYNBGLN-VIDGLSEISA-N 1 0 558.476 4.456 3 0 KIAFRO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](Cc3ccc(O)cc3)C[N@@H+]3CCC[C@@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000095548657 562759363 /nfs/dbraw/zinc/75/93/63/562759363.db2.gz GTURQIJZPFIYNP-BSUMSBOOSA-N 1 0 771.959 4.261 3 0 KIAFRO COc1ccc([C@H]2[NH2+][C@]3(CCCN(Cc4ccc(C)cc4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000095564626 562764389 /nfs/dbraw/zinc/76/43/89/562764389.db2.gz BUAQAWBOFWBWLJ-RBUURGHLSA-N 1 0 523.633 4.011 3 0 KIAFRO Cc1ccc([C@H]2[NH2+][C@]3(CCCN(Cc4ccc(F)cc4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000095564671 562764421 /nfs/dbraw/zinc/76/44/21/562764421.db2.gz LLPHUERPRUVARN-ACXCVDCASA-N 1 0 511.597 4.141 3 0 KIAFRO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095564711 562764469 /nfs/dbraw/zinc/76/44/69/562764469.db2.gz BPIYHGYRVVJDMW-BQYLNSIHSA-N 1 0 737.942 4.064 3 0 KIAFRO CCN1C(=O)[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)[NH2+][C@]3(CCCN(Cc4ccc(Br)cc4)C3=O)[C@H]2C1=O ZINC000095565632 562764649 /nfs/dbraw/zinc/76/46/49/562764649.db2.gz DETJSIXIHWUIMU-QTDDQOEGSA-N 1 0 564.402 4.295 3 0 KIAFRO COc1ccc([C@H]2[NH2+][C@]3(CCCN(Cc4ccc(Br)cc4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000095565648 562764680 /nfs/dbraw/zinc/76/46/80/562764680.db2.gz DVAGVDHXFLFYIV-ACXCVDCASA-N 1 0 588.502 4.465 3 0 KIAFRO COc1ccc(CN2CCC[C@]3([NH2+][C@H](c4ccc(C)cc4)[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000095565763 562764720 /nfs/dbraw/zinc/76/47/20/562764720.db2.gz ZTEUQMOPANOOQR-RBUURGHLSA-N 1 0 523.633 4.011 3 0 KIAFRO CN1C(=O)[C@H]2[C@@H](c3ccc(C(F)(F)F)cc3)[NH2+][C@]3(CCCN(Cc4ccc(C(F)(F)F)cc4)C3=O)[C@H]2C1=O ZINC000095565985 562764736 /nfs/dbraw/zinc/76/47/36/562764736.db2.gz ZFLWJSIDLKWNAY-DBYOASNMSA-N 1 0 539.476 4.161 3 0 KIAFRO Cn1cccc1CN1CCC[C@]2([NH2+][C@H](c3ccc(C(F)(F)F)cc3)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000095565987 562764777 /nfs/dbraw/zinc/76/47/77/562764777.db2.gz GFYSGTFQCXTVSO-DOUCHOMGSA-N 1 0 550.581 4.051 3 0 KIAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C(=O)C1=O ZINC000095566347 562764879 /nfs/dbraw/zinc/76/48/79/562764879.db2.gz IFSYEVLDBCFHDA-ZYADHFCISA-N 1 0 699.937 4.393 3 0 KIAFRO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@@H+]2CCC[C@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccccc2)C(=O)C(=O)N1CC1CCCCC1 ZINC000095566485 562765046 /nfs/dbraw/zinc/76/50/46/562765046.db2.gz IXGUYOJBEJYCBE-BBACVFHCSA-N 1 0 685.910 4.003 3 0 KIAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C(=O)C1=O ZINC000095566554 562765106 /nfs/dbraw/zinc/76/51/06/562765106.db2.gz DXHMKCJPHALTEQ-ZYADHFCISA-N 1 0 699.937 4.393 3 0 KIAFRO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000095566778 562765231 /nfs/dbraw/zinc/76/52/31/562765231.db2.gz 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CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](CC(C)C)C[N@@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000095567863 562766136 /nfs/dbraw/zinc/76/61/36/562766136.db2.gz WRPUXOPECXDNRL-BBACVFHCSA-N 1 0 687.926 4.162 3 0 KIAFRO C[C@H](O)[C@@H]1C(=O)N2CCc3ccc(N4CC[NH+](C)CC4)cc3[C@@H]2C[C@@H]1N(C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000095567981 562766216 /nfs/dbraw/zinc/76/62/16/562766216.db2.gz MMYNXSXBSBQFAZ-QQMCDRLVSA-N 1 0 560.526 4.104 3 0 KIAFRO O=C1NC[C@H](Cc2ccc(O)cc2)N(C[C@@H]2CCC[N@H+]2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C(=O)C2=O)C1=O ZINC000095567991 562766259 /nfs/dbraw/zinc/76/62/59/562766259.db2.gz VLKAVMXLRMATID-ZQWQDMLBSA-N 1 0 749.953 4.296 3 0 KIAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C(=O)C1=O ZINC000095568140 562766331 /nfs/dbraw/zinc/76/63/31/562766331.db2.gz BAUNTLKRUUVIJA-ZYADHFCISA-N 1 0 669.911 4.298 3 0 KIAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C(=O)C1=O ZINC000095568266 562766466 /nfs/dbraw/zinc/76/64/66/562766466.db2.gz BAUNTLKRUUVIJA-WISKXVKBSA-N 1 0 669.911 4.298 3 0 KIAFRO O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)C[N@H+]2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccc(Cl)cc1 ZINC000095568299 562766528 /nfs/dbraw/zinc/76/65/28/562766528.db2.gz MKZVTDJRJDFKFH-QPXUXIHVSA-N 1 0 526.983 4.175 3 0 KIAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCCC2)C(=O)C1=O ZINC000095568371 562766546 /nfs/dbraw/zinc/76/65/46/562766546.db2.gz CARMMNOSVQKQOL-YRCZKMHPSA-N 1 0 665.920 4.197 3 0 KIAFRO O=C(NCc1ccco1)c1cccc2c1C(=O)c1ccc(N3CCC([NH+]4CCCCC4)CC3)cc1S2(=O)=O ZINC000095568450 562766630 /nfs/dbraw/zinc/76/66/30/562766630.db2.gz GNBUQYPCTXUCKA-UHFFFAOYSA-N 1 0 533.650 4.042 3 0 KIAFRO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095569383 562767419 /nfs/dbraw/zinc/76/74/19/562767419.db2.gz PDUXXQMERNNNHG-BQYLNSIHSA-N 1 0 737.942 4.064 3 0 KIAFRO CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)C[N@@H+]2CCC[C@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccc(O)cc2)C(=O)C(=O)N1CC1CCCCC1 ZINC000095569526 562767517 /nfs/dbraw/zinc/76/75/17/562767517.db2.gz MGFYWEQQQURJBJ-BBACVFHCSA-N 1 0 685.910 4.003 3 0 KIAFRO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@@H+]2CCC[C@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccccc2)C(=O)C(=O)N1CC1CCCCCC1 ZINC000095570392 562768173 /nfs/dbraw/zinc/76/81/73/562768173.db2.gz OXYNYOIVICVPNB-ZYADHFCISA-N 1 0 699.937 4.393 3 0 KIAFRO CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCCC2)C(=O)C1=O ZINC000095570601 562768338 /nfs/dbraw/zinc/76/83/38/562768338.db2.gz JEGCMKQSEKMWQW-GJBCSVNNSA-N 1 0 665.920 4.197 3 0 KIAFRO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000095570671 562768397 /nfs/dbraw/zinc/76/83/97/562768397.db2.gz 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CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](CC(C)C)N(CC2CCCCCC2)C(=O)C1=O ZINC000095599201 562777833 /nfs/dbraw/zinc/77/78/33/562777833.db2.gz YADQSDNQNNJCGN-CUPIEXAXSA-N 1 0 649.921 4.491 3 0 KIAFRO CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)C[N@@H+]2CCC[C@@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccc(O)cc2)C(=O)C(=O)N1CC1CCCCC1 ZINC000095599514 562778126 /nfs/dbraw/zinc/77/81/26/562778126.db2.gz MGFYWEQQQURJBJ-KWRMZWAXSA-N 1 0 685.910 4.003 3 0 KIAFRO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095599992 562778537 /nfs/dbraw/zinc/77/85/37/562778537.db2.gz FOUBDPCARYVGRI-YKKXUYLKSA-N 1 0 771.959 4.261 3 0 KIAFRO CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCCC[NH+](C)C)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000095600076 562778622 /nfs/dbraw/zinc/77/86/22/562778622.db2.gz BVVUHKZAFWBCRR-RUZDIDTESA-N 1 0 524.750 4.467 3 0 KIAFRO CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCCC[NH+](C)C)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000095600077 562778611 /nfs/dbraw/zinc/77/86/11/562778611.db2.gz BVVUHKZAFWBCRR-VWLOTQADSA-N 1 0 524.750 4.467 3 0 KIAFRO C[NH+](C)CCN(Cc1ccccc1)[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)c1ccnc2ccccc21 ZINC000095600460 562778898 /nfs/dbraw/zinc/77/88/98/562778898.db2.gz PZRPLVZIRXNMOE-LJAQVGFWSA-N 1 0 521.625 4.135 3 0 KIAFRO C[NH+](C)CCN(Cc1ccccc1)[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)c1ccnc2ccccc21 ZINC000095600461 562778911 /nfs/dbraw/zinc/77/89/11/562778911.db2.gz PZRPLVZIRXNMOE-GDLZYMKVSA-N 1 0 521.625 4.135 3 0 KIAFRO CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C(=O)C1=O ZINC000095600811 562779216 /nfs/dbraw/zinc/77/92/16/562779216.db2.gz HUCNZOHONHTMSF-BBACVFHCSA-N 1 0 685.910 4.003 3 0 KIAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C(=O)C1=O ZINC000095601676 562779756 /nfs/dbraw/zinc/77/97/56/562779756.db2.gz HUYZWNRXMVBQHF-BBACVFHCSA-N 1 0 715.936 4.099 3 0 KIAFRO CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@@H](C)[N@H+](CC2CCOCC2)C[C@@H]1C ZINC000095601706 562779708 /nfs/dbraw/zinc/77/97/08/562779708.db2.gz SOXZGOIADRREFT-PFPZSTESSA-N 1 0 544.737 4.373 3 0 KIAFRO O=C1NC[C@H](Cc2ccc(O)cc2)N(C[C@@H]2CCC[N@@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C(=O)C2=O)C1=O ZINC000095602338 562780084 /nfs/dbraw/zinc/78/00/84/562780084.db2.gz KBZXZQGNNUNTKH-ZQWQDMLBSA-N 1 0 749.953 4.296 3 0 KIAFRO O=C1NC[C@H](Cc2ccc(O)cc2)N(C[C@@H]2CCC[N@@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C(=O)C2=O)C1=O ZINC000095603697 562780669 /nfs/dbraw/zinc/78/06/69/562780669.db2.gz SCVWSYHFHDFOIR-ZQWQDMLBSA-N 1 0 719.927 4.200 3 0 KIAFRO COC(=O)[C@@]12CCCC[N@@H+]1[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)c(OC)c1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000102816966 562813346 /nfs/dbraw/zinc/81/33/46/562813346.db2.gz VKMUSYHIOCDVTO-BILGYAHESA-N 1 0 517.409 4.352 3 0 KIAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@@H]1CN1C(=O)C(=O)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C(=O)C1=O ZINC000169340427 562860616 /nfs/dbraw/zinc/86/06/16/562860616.db2.gz CKXTVZIESZKTEO-GJBCSVNNSA-N 1 0 635.894 4.101 3 0 KIAFRO CC[NH+](CC)CCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000249943380 562881646 /nfs/dbraw/zinc/88/16/46/562881646.db2.gz IJDZWOZVFYPJIB-BYHVNRAISA-N 1 0 550.744 4.080 3 0 KIAFRO CC[NH+](CC)CCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000249943388 562881662 /nfs/dbraw/zinc/88/16/62/562881662.db2.gz IJDZWOZVFYPJIB-HEDZJINPSA-N 1 0 550.744 4.080 3 0 KIAFRO CC[NH+](CC)CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000249943392 562881647 /nfs/dbraw/zinc/88/16/47/562881647.db2.gz IJDZWOZVFYPJIB-JABZFZETSA-N 1 0 550.744 4.080 3 0 KIAFRO CC[NH+](CC)CCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000249943397 562881645 /nfs/dbraw/zinc/88/16/45/562881645.db2.gz IJDZWOZVFYPJIB-PNKSDJGKSA-N 1 0 550.744 4.080 3 0 KIAFRO