smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NCc1ccc(C(=O)C(C(=S)Nc2ccc(F)cc2F)[n+]2ccc3c(c2)CCCC3)s1 ZINC000027162448 1066394896 /nfs/dbraw/zinc/39/48/96/1066394896.db2.gz ITUTVQSKXYLGHS-UHFFFAOYSA-O 1 0 500.616 4.880 20 0 KJADRO CC(C)C(=O)Nc1ccc(C(=O)C(C(=S)Nc2ccc(F)c(Cl)c2)[n+]2cccc(CO)c2)cc1 ZINC000027312416 1066394875 /nfs/dbraw/zinc/39/48/75/1066394875.db2.gz HKLYTMGHJXYOPR-UHFFFAOYSA-O 1 0 501.003 4.904 20 0 KJADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccc(Cl)cc2)n1 ZINC000303107647 1066491412 /nfs/dbraw/zinc/49/14/12/1066491412.db2.gz JPNJIAMRMAAKOR-UHFFFAOYSA-N 1 0 500.006 4.810 20 0 KJADRO COc1ccc([C@@H](CNC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000514290868 1066418508 /nfs/dbraw/zinc/41/85/08/1066418508.db2.gz ASEQNNBVYXSYIQ-RUZDIDTESA-N 1 0 505.688 4.648 20 0 KJADRO COc1ccc([C@H](CNC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000514290870 1066418616 /nfs/dbraw/zinc/41/86/16/1066418616.db2.gz ASEQNNBVYXSYIQ-VWLOTQADSA-N 1 0 505.688 4.648 20 0 KJADRO Cc1c(NS(=O)(=O)c2ccc(C)c(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000514296406 1066415151 /nfs/dbraw/zinc/41/51/51/1066415151.db2.gz KSPJFDBUBPZWNS-UHFFFAOYSA-N 1 0 579.767 4.512 20 0 KJADRO CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000514297300 1066415184 /nfs/dbraw/zinc/41/51/84/1066415184.db2.gz PGTUFICYVGJIQU-NRFANRHFSA-N 1 0 560.120 4.532 20 0 KJADRO CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000514297302 1066415065 /nfs/dbraw/zinc/41/50/65/1066415065.db2.gz PGTUFICYVGJIQU-OAQYLSRUSA-N 1 0 560.120 4.532 20 0 KJADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000514376839 1066433708 /nfs/dbraw/zinc/43/37/08/1066433708.db2.gz IDKNGSRJCXHPNE-FQEVSTJZSA-N 1 0 603.377 4.549 20 0 KJADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000514376840 1066433739 /nfs/dbraw/zinc/43/37/39/1066433739.db2.gz IDKNGSRJCXHPNE-HXUWFJFHSA-N 1 0 603.377 4.549 20 0 KJADRO CCOc1ccc(CN(CCC[NH+](C)C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1OCC ZINC000514377004 1066432810 /nfs/dbraw/zinc/43/28/10/1066432810.db2.gz JTTAJDUFPAETBK-UHFFFAOYSA-N 1 0 510.679 4.708 20 0 KJADRO COc1ccc([C@@H](CNC(=O)c2ccccc2SCC(=O)NCCc2ccc(OC)c(OC)c2)[NH+]2CCCC2)cc1 ZINC000514381087 1066424926 /nfs/dbraw/zinc/42/49/26/1066424926.db2.gz WVWYMSYBLNRKCM-HHHXNRCGSA-N 1 0 577.747 4.730 20 0 KJADRO COc1ccc([C@H](CNC(=O)c2ccccc2SCC(=O)NCCc2ccc(OC)c(OC)c2)[NH+]2CCCC2)cc1 ZINC000514381088 1066425526 /nfs/dbraw/zinc/42/55/26/1066425526.db2.gz WVWYMSYBLNRKCM-MHZLTWQESA-N 1 0 577.747 4.730 20 0 KJADRO CC[NH+]1CCC(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2CCc2ccccc2)CC1 ZINC000514385162 1066439914 /nfs/dbraw/zinc/43/99/14/1066439914.db2.gz AINIWNFINUOJEY-UHFFFAOYSA-N 1 0 528.520 4.643 20 0 KJADRO CC[NH+]1CCC(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)CC1 ZINC000514386428 1066444599 /nfs/dbraw/zinc/44/45/99/1066444599.db2.gz OYGHTFGBRXRPJC-UHFFFAOYSA-N 1 0 504.487 4.993 20 0 KJADRO O=C(c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000514387285 1066443319 /nfs/dbraw/zinc/44/33/19/1066443319.db2.gz FTVPAXGPMINANC-UHFFFAOYSA-N 1 0 567.155 4.589 20 0 KJADRO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000514387646 1066445242 /nfs/dbraw/zinc/44/52/42/1066445242.db2.gz HGPQXKQXROXYCG-UHFFFAOYSA-N 1 0 599.389 4.525 20 0 KJADRO COc1ccc(-c2nnc(CSc3nc4sc5c(c4c(=O)n3CCC[NH+](C)C)CCCC5)o2)cc1 ZINC000514390541 1066447675 /nfs/dbraw/zinc/44/76/75/1066447675.db2.gz NNTVGLRHYVCWOJ-UHFFFAOYSA-N 1 0 511.673 4.639 20 0 KJADRO O=C(CC[NH+]1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1)Nc1c(Cl)cccc1Cl ZINC000514391348 1066448329 /nfs/dbraw/zinc/44/83/29/1066448329.db2.gz HQRKSKGCRMVAAQ-UHFFFAOYSA-N 1 0 520.486 4.729 20 0 KJADRO CCOc1ccc(CCn2c(SCC(=O)NC3CC[NH+](CC)CC3)nnc2-c2ccc(OC)cc2)cc1OCC ZINC000514392604 1066456341 /nfs/dbraw/zinc/45/63/41/1066456341.db2.gz YYWRZLFICCCGGE-UHFFFAOYSA-N 1 0 567.756 4.686 20 0 KJADRO COc1ccc(C[N@@H+]2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3)CC2)cc1 ZINC000514393408 1066457459 /nfs/dbraw/zinc/45/74/59/1066457459.db2.gz ZWUHISCTNJTTGU-UHFFFAOYSA-N 1 0 574.065 4.503 20 0 KJADRO COc1ccc(C[N@@H+]2CCCN(C(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)cc1 ZINC000514393886 1066457499 /nfs/dbraw/zinc/45/74/99/1066457499.db2.gz ALHXWJLYEORKIT-UHFFFAOYSA-N 1 0 510.988 4.713 20 0 KJADRO C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514395747 1066460426 /nfs/dbraw/zinc/46/04/26/1066460426.db2.gz SCFDHHXQLNSEIR-AZUAARDMSA-N 1 0 512.079 4.717 20 0 KJADRO C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514395748 1066460510 /nfs/dbraw/zinc/46/05/10/1066460510.db2.gz SCFDHHXQLNSEIR-ICSRJNTNSA-N 1 0 512.079 4.717 20 0 KJADRO C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514395749 1066460471 /nfs/dbraw/zinc/46/04/71/1066460471.db2.gz SCFDHHXQLNSEIR-QUCCMNQESA-N 1 0 512.079 4.717 20 0 KJADRO C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514395750 1066460456 /nfs/dbraw/zinc/46/04/56/1066460456.db2.gz SCFDHHXQLNSEIR-UYAOXDASSA-N 1 0 512.079 4.717 20 0 KJADRO CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)CC2)cc1 ZINC000514402048 1066450404 /nfs/dbraw/zinc/45/04/04/1066450404.db2.gz KSCBMGQIELJYPA-UHFFFAOYSA-N 1 0 511.688 4.693 20 0 KJADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)n2C ZINC000514404049 1066452818 /nfs/dbraw/zinc/45/28/18/1066452818.db2.gz WQWYGLRRQUXVQM-UHFFFAOYSA-N 1 0 561.752 4.581 20 0 KJADRO COc1cccc([C@H](CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[NH+]2CCCC2)c1 ZINC000514404261 1066452335 /nfs/dbraw/zinc/45/23/35/1066452335.db2.gz AHQXICJGCAYOGA-DEOSSOPVSA-N 1 0 503.565 4.520 20 0 KJADRO COc1cccc([C@@H](CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[NH+]2CCCC2)c1 ZINC000514404262 1066452283 /nfs/dbraw/zinc/45/22/83/1066452283.db2.gz AHQXICJGCAYOGA-XMMPIXPASA-N 1 0 503.565 4.520 20 0 KJADRO CC[NH+]1CCC(NC(=O)CSc2nnc(COc3ccc(OC)cc3)n2-c2cccc(C(F)(F)F)c2)CC1 ZINC000514404267 1066452461 /nfs/dbraw/zinc/45/24/61/1066452461.db2.gz AMUYELCIQYWYQL-UHFFFAOYSA-N 1 0 549.619 4.566 20 0 KJADRO CC[NH+](CC)Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000514404279 1066452490 /nfs/dbraw/zinc/45/24/90/1066452490.db2.gz ARZMKTADVPNOLA-UHFFFAOYSA-N 1 0 512.503 4.552 20 0 KJADRO COc1cc(-c2nnc(CSc3nc4ccccc4c(=O)n3CC[NH+](C(C)C)C(C)C)o2)cc(OC)c1OC ZINC000514404545 1066463015 /nfs/dbraw/zinc/46/30/15/1066463015.db2.gz HGUXCWNAHQGJND-UHFFFAOYSA-N 1 0 553.685 4.883 20 0 KJADRO C[C@]1(c2ccc(C[NH2+]Cc3cn(Cc4ccccc4)nc3-c3ccc(Cl)cc3)cc2)NC(=O)NC1=O ZINC000520218541 1066465008 /nfs/dbraw/zinc/46/50/08/1066465008.db2.gz IXXBEOFPQSOSIX-MUUNZHRXSA-N 1 0 500.002 4.596 20 0 KJADRO C[C@@]1(c2ccc(C[NH2+]Cc3cn(Cc4ccccc4)nc3-c3ccc(Cl)cc3)cc2)NC(=O)NC1=O ZINC000520218542 1066465053 /nfs/dbraw/zinc/46/50/53/1066465053.db2.gz IXXBEOFPQSOSIX-NDEPHWFRSA-N 1 0 500.002 4.596 20 0 KJADRO C[C@]1(c2ccc(C[NH2+]Cc3cn(Cc4ccccc4Cl)nc3-c3ccccc3)cc2)NC(=O)NC1=O ZINC000521831887 1066465625 /nfs/dbraw/zinc/46/56/25/1066465625.db2.gz VPUAXACKJREWDY-MUUNZHRXSA-N 1 0 500.002 4.596 20 0 KJADRO C[C@@]1(c2ccc(C[NH2+]Cc3cn(Cc4ccccc4Cl)nc3-c3ccccc3)cc2)NC(=O)NC1=O ZINC000521831888 1066465496 /nfs/dbraw/zinc/46/54/96/1066465496.db2.gz VPUAXACKJREWDY-NDEPHWFRSA-N 1 0 500.002 4.596 20 0 KJADRO C[NH+](C)CCn1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccc(Cl)cc2)cn1 ZINC000622406831 1066487451 /nfs/dbraw/zinc/48/74/51/1066487451.db2.gz XDTHULOZNBIFRC-UHFFFAOYSA-N 1 0 500.006 4.810 20 0 KJADRO O=C(c1cccc(Br)c1)C(C(=S)NC12CC3CC(CC(C3)C1)C2)[n+]1cccc(CO)c1 ZINC000725761075 1067163750 /nfs/dbraw/zinc/16/37/50/1067163750.db2.gz AQCKOBQHAJUMIA-UHFFFAOYSA-O 1 0 500.482 4.999 20 0 KJADRO O=C(c1ccc(Br)cc1)C(C(=S)NC12CC3CC(CC(C3)C1)C2)[n+]1cccc(CO)c1 ZINC000725761443 1067163864 /nfs/dbraw/zinc/16/38/64/1067163864.db2.gz HBBMXKPCQFZOPB-UHFFFAOYSA-O 1 0 500.482 4.999 20 0 KJADRO O=C(c1ccccc1Br)C(C(=S)NC12CC3CC(CC(C3)C1)C2)[n+]1cccc(CO)c1 ZINC000725762111 1067163766 /nfs/dbraw/zinc/16/37/66/1067163766.db2.gz ONMNYEVYMKNNGZ-UHFFFAOYSA-O 1 0 500.482 4.999 20 0 KJADRO CN(C)c1cc[n+](C(C(=O)c2ccc3c(c2)COC3)C(=S)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000726570291 1067163872 /nfs/dbraw/zinc/16/38/72/1067163872.db2.gz KQCLBQZPBSLSMD-UHFFFAOYSA-O 1 0 500.566 4.570 20 0 KJADRO CC(=O)NCCc1ccc(C(=O)C(C(=S)NCc2cccc(C(F)(F)F)c2)[n+]2ccccc2)cc1 ZINC000726571237 1067163816 /nfs/dbraw/zinc/16/38/16/1067163816.db2.gz UVUKVLUNZSDJJT-UHFFFAOYSA-O 1 0 500.566 4.673 20 0 KJADRO CCc1cc[n+](C(C(=O)c2ccc(CCNC(C)=O)s2)C(=S)Nc2ccc(OC)c(F)c2)cc1 ZINC000726574770 1067163878 /nfs/dbraw/zinc/16/38/78/1067163878.db2.gz QITHXQIVDMIJQL-UHFFFAOYSA-O 1 0 500.641 4.748 20 0 KJADRO CCc1cccc[n+]1C(C(=O)c1ccc(CCNC(C)=O)s1)C(=S)Nc1ccc(OC)c(F)c1 ZINC000726575877 1067163772 /nfs/dbraw/zinc/16/37/72/1067163772.db2.gz XOPFXOKFCVONFM-UHFFFAOYSA-O 1 0 500.641 4.748 20 0 KJADRO CSc1cc(C(=O)C(C(=S)N[C@@H](C)c2cccs2)[n+]2cccc(CO)c2)ccc1NC(C)=O ZINC000726581082 1067163834 /nfs/dbraw/zinc/16/38/34/1067163834.db2.gz ZIBNZFOQNYGRQN-HNNXBMFYSA-O 1 0 500.691 4.770 20 0 KJADRO CSc1cc(C(=O)C(C(=S)N[C@H](C)c2cccs2)[n+]2cccc(CO)c2)ccc1NC(C)=O ZINC000726581083 1067164756 /nfs/dbraw/zinc/16/47/56/1067164756.db2.gz ZIBNZFOQNYGRQN-OAHLLOKOSA-O 1 0 500.691 4.770 20 0 KJADRO CCOc1ccc(OCC)c(NC(=S)C(C(=O)c2cc(F)ccc2F)[n+]2ccc(N(C)C)cc2)c1 ZINC000726963029 1067164571 /nfs/dbraw/zinc/16/45/71/1067164571.db2.gz KDDBEGHDGRVRKA-UHFFFAOYSA-O 1 0 500.591 4.919 20 0 KJADRO CCOc1ccc(OCC)c(NC(=S)C(C(=O)c2ccc(F)c(F)c2)[n+]2ccc(N(C)C)cc2)c1 ZINC000726963472 1067164701 /nfs/dbraw/zinc/16/47/01/1067164701.db2.gz PYYURKCWIWCUTN-UHFFFAOYSA-O 1 0 500.591 4.919 20 0 KJADRO CCOc1ccc(OCC)c(NC(=S)C(C(=O)c2ccc(F)cc2F)[n+]2ccc(N(C)C)cc2)c1 ZINC000726964505 1067164743 /nfs/dbraw/zinc/16/47/43/1067164743.db2.gz ZGPPRELWWXEKAJ-UHFFFAOYSA-O 1 0 500.591 4.919 20 0 KJADRO CC(=O)NCc1ccc(C(=O)C(C(=S)Nc2ccc(Cl)nc2)[n+]2ccc3c(c2)CCCC3)s1 ZINC000727161068 1066501841 /nfs/dbraw/zinc/50/18/41/1066501841.db2.gz ZMUOMABWVLUFAH-UHFFFAOYSA-O 1 0 500.069 4.922 20 0 KJADRO CC(C)NC(=O)CNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(Cc2ccccc2)cc1 ZINC000727419126 1066501928 /nfs/dbraw/zinc/50/19/28/1066501928.db2.gz TWRROLDFCSXUMH-UHFFFAOYSA-O 1 0 500.688 4.769 20 0 KJADRO CSc1cc(C(=O)C(C(=S)NC2CCOCC2)[n+]2ccc(C(C)(C)C)cc2)ccc1NC(C)=O ZINC000727815512 1066502389 /nfs/dbraw/zinc/50/23/89/1066502389.db2.gz NGODXKFPFARDOV-UHFFFAOYSA-O 1 0 500.710 4.932 20 0 KJADRO C[C@@H]1Oc2ccc(C(=O)C(C(=S)NCCc3ccccc3)[n+]3ccc4c(c3)CCCC4)cc2NC1=O ZINC000728039055 1066502248 /nfs/dbraw/zinc/50/22/48/1066502248.db2.gz AFGHHWNLQIRQIW-IBGZPJMESA-O 1 0 500.644 4.616 20 0 KJADRO C[C@H]1Oc2ccc(C(=O)C(C(=S)NCCc3ccccc3)[n+]3ccc4c(c3)CCCC4)cc2NC1=O ZINC000728039066 1066502411 /nfs/dbraw/zinc/50/24/11/1066502411.db2.gz AFGHHWNLQIRQIW-LJQANCHMSA-O 1 0 500.644 4.616 20 0 KJADRO C[C@@H]1Oc2ccc(C(=O)C(C(=S)NCc3cccc(C(F)(F)F)c3)[n+]3ccccc3)cc2NC1=O ZINC000728043842 1066502505 /nfs/dbraw/zinc/50/25/05/1066502505.db2.gz SKYLVNFFVCLDJR-HNNXBMFYSA-O 1 0 500.522 4.713 20 0 KJADRO C[C@H]1Oc2ccc(C(=O)C(C(=S)NCc3cccc(C(F)(F)F)c3)[n+]3ccccc3)cc2NC1=O ZINC000728043843 1066502332 /nfs/dbraw/zinc/50/23/32/1066502332.db2.gz SKYLVNFFVCLDJR-OAHLLOKOSA-O 1 0 500.522 4.713 20 0 KJADRO COC(=O)c1coc(C(=O)C(C(=S)Nc2ccccc2-c2ccccc2)[n+]2ccc(N(C)C)cc2)c1 ZINC000729670140 1066471495 /nfs/dbraw/zinc/47/14/95/1066471495.db2.gz MVIBWPYQHHJQIJ-UHFFFAOYSA-O 1 0 500.600 4.890 20 0 KJADRO CCn1cc(NC(=S)C(C(=O)c2ccc(OCc3ccccc3)cc2)[n+]2ccc(N(C)C)cc2)cn1 ZINC000730440233 1066502187 /nfs/dbraw/zinc/50/21/87/1066502187.db2.gz NQIJTPMZIPBMOS-UHFFFAOYSA-O 1 0 500.648 4.639 20 0 KJADRO COc1ccc(NC(=S)C(C(=O)c2ccc(OCc3ccccc3)cc2)[n+]2cccc(CO)c2)cn1 ZINC000730440477 1066502237 /nfs/dbraw/zinc/50/22/37/1066502237.db2.gz PWLOAZFHBIMGIP-UHFFFAOYSA-O 1 0 500.600 4.772 20 0 KJADRO O=C(c1ccc(-c2ccccc2)cc1)C(C(=S)NCCN1CCOCC1)[n+]1ccc2c(c1)CCCC2 ZINC000916202389 1066482351 /nfs/dbraw/zinc/48/23/51/1066482351.db2.gz ZZHWJYNYTLLHEB-UHFFFAOYSA-O 1 0 500.688 4.653 20 0 KJADRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C(=S)NCCN2CCOCC2)cc1 ZINC000917606646 1066484648 /nfs/dbraw/zinc/48/46/48/1066484648.db2.gz APQCRBCCNHUSTJ-UHFFFAOYSA-O 1 0 500.688 4.631 20 0 KJADRO CSc1cc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccc(C(C)(C)C)cc2)ccc1NC(C)=O ZINC000917607597 1066484472 /nfs/dbraw/zinc/48/44/72/1066484472.db2.gz QCMGVNIKLCFLGU-FQEVSTJZSA-O 1 0 500.710 4.932 20 0 KJADRO CSc1cc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccc(C(C)(C)C)cc2)ccc1NC(C)=O ZINC000917607606 1066484809 /nfs/dbraw/zinc/48/48/09/1066484809.db2.gz QCMGVNIKLCFLGU-HXUWFJFHSA-O 1 0 500.710 4.932 20 0 KJADRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000920396247 1066486020 /nfs/dbraw/zinc/48/60/20/1066486020.db2.gz DGOVYMBWONJLBG-UHFFFAOYSA-O 1 0 500.688 4.937 20 0 KJADRO CCOc1ccc(C(=O)C(C(=S)Nc2ccc3c(c2)OC(F)(F)O3)[n+]2ccc(N(C)C)cc2)cc1 ZINC000920396409 1066486077 /nfs/dbraw/zinc/48/60/77/1066486077.db2.gz KBDIMSJHDZWDJA-UHFFFAOYSA-O 1 0 500.547 4.563 20 0 KJADRO O=C(c1cc2ccccc2o1)C(C(=S)NC1CC[NH+](Cc2ccccc2)CC1)[n+]1cccc(CO)c1 ZINC000920396414 1066486113 /nfs/dbraw/zinc/48/61/13/1066486113.db2.gz KJJDMMBAEVWTTF-UHFFFAOYSA-O 1 0 500.644 4.678 20 0 KJADRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCO2)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000920396422 1066486059 /nfs/dbraw/zinc/48/60/59/1066486059.db2.gz KYALEQHXAFPKCX-UHFFFAOYSA-O 1 0 500.688 4.937 20 0 KJADRO Cc1ccc([O-])c[n+]1C(C(=O)c1ccc2c(c1)CCC2)C(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000920486866 1066486762 /nfs/dbraw/zinc/48/67/62/1066486762.db2.gz NTAQXJRFZYJTOL-UHFFFAOYSA-O 1 0 500.688 4.942 20 0 KJADRO NC(=O)c1cc2cc(N3CC[NH+](Cc4cn(Cc5ccc(Cl)nc5)c5ccccc45)CC3)ccc2o1 ZINC001139446089 1067164626 /nfs/dbraw/zinc/16/46/26/1067164626.db2.gz WTDKLRRBWBEGDH-UHFFFAOYSA-N 1 0 500.002 4.905 20 0 KJADRO Cc1c2cc(Cl)ccc2[nH]c1C(=O)N(Cc1cccnc1)c1ccc2nc(C3CC[NH2+]CC3)nn2c1 ZINC001150726008 1067165644 /nfs/dbraw/zinc/16/56/44/1067165644.db2.gz GJUZKBSWSCFJMZ-UHFFFAOYSA-N 1 0 500.006 4.881 20 0 KJADRO COc1nc(-n2ccc3c2ncnc3N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)nc2ccccc21 ZINC001159554123 1067166129 /nfs/dbraw/zinc/16/61/29/1067166129.db2.gz BCSSLPYWGZJPKH-UHFFFAOYSA-N 1 0 500.006 4.566 20 0 KJADRO COc1ccc2ncc(-n3ccc4c3ncnc4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC001159554138 1067166433 /nfs/dbraw/zinc/16/64/33/1067166433.db2.gz BRBUYPSXBPYNAR-UHFFFAOYSA-N 1 0 500.006 4.566 20 0 KJADRO COc1ccc2c(c1)ncnc2-n1ccc2c1ncnc2N1CCC([NH3+])(Cc2ccc(Cl)cc2)CC1 ZINC001159554140 1067166187 /nfs/dbraw/zinc/16/61/87/1067166187.db2.gz BSTUWKKTNWYMCK-UHFFFAOYSA-N 1 0 500.006 4.566 20 0 KJADRO COc1cccc2ncnc(-n3ccc4c3ncnc4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)c21 ZINC001159554192 1067166230 /nfs/dbraw/zinc/16/62/30/1067166230.db2.gz FNJVTCCKJBDXOF-UHFFFAOYSA-N 1 0 500.006 4.566 20 0 KJADRO COc1ccc2nc(-n3ccc4c3ncnc4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)ncc2c1 ZINC001159554259 1067166300 /nfs/dbraw/zinc/16/63/00/1067166300.db2.gz GBHBTZLPKZYHIO-UHFFFAOYSA-N 1 0 500.006 4.566 20 0 KJADRO COc1nc2ccccc2nc1-n1ccc2c1ncnc2N1CCC([NH3+])(Cc2ccc(Cl)cc2)CC1 ZINC001159554391 1067166264 /nfs/dbraw/zinc/16/62/64/1067166264.db2.gz JHTQXFHNXVEYHF-UHFFFAOYSA-N 1 0 500.006 4.566 20 0 KJADRO COc1cccc2cnc(-n3ccc4c3ncnc4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)nc21 ZINC001159554399 1067166374 /nfs/dbraw/zinc/16/63/74/1067166374.db2.gz JSGRNERVLMUADM-UHFFFAOYSA-N 1 0 500.006 4.566 20 0 KJADRO Cc1ccc(-c2ccc(-n3ccc4c3ncnc4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)nn2)o1 ZINC001159554624 1067166311 /nfs/dbraw/zinc/16/63/11/1067166311.db2.gz KZPWRAYEQAUXMT-UHFFFAOYSA-N 1 0 500.006 4.973 20 0 KJADRO Cc1cc(-n2ccc3c2ncnc3N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)nc(-c2ccco2)n1 ZINC001159554698 1067166440 /nfs/dbraw/zinc/16/64/40/1067166440.db2.gz PERMTQODJGVTDN-UHFFFAOYSA-N 1 0 500.006 4.973 20 0 KJADRO COc1nnc(-n2ccc3c2ncnc3N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC001159554856 1067166404 /nfs/dbraw/zinc/16/64/04/1067166404.db2.gz PUDZBPBRAQCGQP-UHFFFAOYSA-N 1 0 500.006 4.566 20 0 KJADRO COc1ccc2ncnc(-n3ccc4c3ncnc4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)c2c1 ZINC001159554966 1067166279 /nfs/dbraw/zinc/16/62/79/1067166279.db2.gz UUVRYPLQZLOSBE-UHFFFAOYSA-N 1 0 500.006 4.566 20 0 KJADRO COc1ccc2cnc(-n3ccc4c3ncnc4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC001159555010 1067166356 /nfs/dbraw/zinc/16/63/56/1067166356.db2.gz VJOXSYDZSWNZRJ-UHFFFAOYSA-N 1 0 500.006 4.566 20 0 KJADRO Cc1cc2c(ncnc2NCCCC[C@H]([NH3+])C(=O)[C@H](OC=O)C2c3ccccc3-c3ccccc32)s1 ZINC001160601159 1067166157 /nfs/dbraw/zinc/16/61/57/1067166157.db2.gz IINJBYGLRWRONC-JYFHCDHNSA-N 1 0 500.624 4.832 20 0 KJADRO Cc1cc2c(ncnc2NCCCC[C@H]([NH3+])C(=O)[C@@H](OC=O)C2c3ccccc3-c3ccccc32)s1 ZINC001160601160 1067166392 /nfs/dbraw/zinc/16/63/92/1067166392.db2.gz IINJBYGLRWRONC-OZXSUGGESA-N 1 0 500.624 4.832 20 0 KJADRO Cc1nc2sccc2c(NCCCC[C@H]([NH3+])C(=O)[C@H](OC=O)C2c3ccccc3-c3ccccc32)n1 ZINC001160601388 1067166245 /nfs/dbraw/zinc/16/62/45/1067166245.db2.gz OCWPKEHFJUGUKY-JYFHCDHNSA-N 1 0 500.624 4.832 20 0 KJADRO Cc1nc2sccc2c(NCCCC[C@H]([NH3+])C(=O)[C@@H](OC=O)C2c3ccccc3-c3ccccc32)n1 ZINC001160601389 1067166421 /nfs/dbraw/zinc/16/64/21/1067166421.db2.gz OCWPKEHFJUGUKY-OZXSUGGESA-N 1 0 500.624 4.832 20 0 KJADRO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001166297349 1067167657 /nfs/dbraw/zinc/16/76/57/1067167657.db2.gz GELXENJNKJEXME-HCYUJWNOSA-N 1 0 500.006 4.554 20 0 KJADRO CC(C)(C)OC(=O)NCCCCN(CCC[NH2+]C1CC(C)(C)N(O)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001169987417 1066505635 /nfs/dbraw/zinc/50/56/35/1066505635.db2.gz NYTFOAXCDWAIBC-UHFFFAOYSA-N 1 0 500.725 4.919 20 0 KJADRO C[N@H+](Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170008359 1066505804 /nfs/dbraw/zinc/50/58/04/1066505804.db2.gz DBYLKOOIFHLCEU-UHFFFAOYSA-N 1 0 500.640 4.769 20 0 KJADRO CCOc1ccccc1C(=O)NCC1(N2CC[NH+](C3CC(C)(C)N(O)C(C)(C)C3)CC2)CCCCC1 ZINC001170012079 1066505831 /nfs/dbraw/zinc/50/58/31/1066505831.db2.gz UACKDWBABUQQNX-UHFFFAOYSA-N 1 0 500.728 4.546 20 0 KJADRO Cc1nc(-c2ccc(-n3ccc4c3ncnc4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)cc2)no1 ZINC001170637445 1066505592 /nfs/dbraw/zinc/50/55/92/1066505592.db2.gz IOBCSQXDTDYQDD-UHFFFAOYSA-N 1 0 500.006 4.973 20 0 KJADRO COc1ccc2nc(-n3ccc4c3ncnc4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)cnc2c1 ZINC001170638359 1066506357 /nfs/dbraw/zinc/50/63/57/1066506357.db2.gz QGOQQVGRFWPRPO-UHFFFAOYSA-N 1 0 500.006 4.566 20 0 KJADRO COc1ccc2nccc(-n3ccc4c3ncnc4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)c2n1 ZINC001170638906 1066506263 /nfs/dbraw/zinc/50/62/63/1066506263.db2.gz YHZCZDJJVRBFRE-UHFFFAOYSA-N 1 0 500.006 4.566 20 0 KJADRO COc1ccnc2cc(-n3ccc4c3ncnc4N3CCC([NH3+])(Cc4ccc(Cl)cc4)CC3)cnc21 ZINC001170640788 1066506399 /nfs/dbraw/zinc/50/63/99/1066506399.db2.gz RYEHWJJVYMANKH-UHFFFAOYSA-N 1 0 500.006 4.566 20 0 KJADRO CC(C)(C)OC(=O)CN1CCC([NH2+][C@@]2(O)C=Cc3ccccc3[C@@H]2c2c(O)ccc3ccccc32)CC1 ZINC001172892888 1066510350 /nfs/dbraw/zinc/51/03/50/1066510350.db2.gz UXLLRMBMMXPFES-BVRKHOPBSA-N 1 0 500.639 4.788 20 0 KJADRO CC(C)(C)OC(=O)CN1CCC([NH2+][C@@]2(O)C=Cc3ccccc3[C@H]2c2c(O)ccc3ccccc32)CC1 ZINC001172892895 1066510420 /nfs/dbraw/zinc/51/04/20/1066510420.db2.gz UXLLRMBMMXPFES-IGYGKHONSA-N 1 0 500.639 4.788 20 0 KJADRO CC(C)(C)OC(=O)CN1CCC([NH2+][C@]2(O)C=Cc3ccccc3[C@H]2c2c(O)ccc3ccccc32)CC1 ZINC001172892899 1066510582 /nfs/dbraw/zinc/51/05/82/1066510582.db2.gz UXLLRMBMMXPFES-SMCANUKXSA-N 1 0 500.639 4.788 20 0 KJADRO CC(C)(C)OC(=O)CN1CCC([NH2+][C@]2(O)C=Cc3ccccc3[C@@H]2c2c(O)ccc3ccccc32)CC1 ZINC001172892901 1066510401 /nfs/dbraw/zinc/51/04/01/1066510401.db2.gz UXLLRMBMMXPFES-VEEOACQBSA-N 1 0 500.639 4.788 20 0 KJADRO C[C@H](C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC001182883885 1066511067 /nfs/dbraw/zinc/51/10/67/1066511067.db2.gz MCHMBUZSMQZNAW-KRWDZBQOSA-N 1 0 500.006 4.791 20 0 KJADRO C[C@@H](C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC001182883886 1066511133 /nfs/dbraw/zinc/51/11/33/1066511133.db2.gz MCHMBUZSMQZNAW-QGZVFWFLSA-N 1 0 500.006 4.791 20 0 KJADRO Cn1ncc2c1cccc2C(=O)NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC001201306931 1066511114 /nfs/dbraw/zinc/51/11/14/1066511114.db2.gz YIHLFBUZPIREFF-UHFFFAOYSA-N 1 0 500.006 4.510 20 0 KJADRO Cc1cc(-c2noc(-c3ccc4nnc([C@H]5C[N@@H+](Cc6ccccc6)CCN5C)n4c3)n2)ccc1Cl ZINC001217235643 1067167680 /nfs/dbraw/zinc/16/76/80/1067167680.db2.gz CEGKIMNEMKUTJN-HSZRJFAPSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1cc(-c2noc(-c3ccc4nnc([C@@H]5C[N@@H+](Cc6ccccc6)CCN5C)n4c3)n2)ccc1Cl ZINC001217235646 1067167612 /nfs/dbraw/zinc/16/76/12/1067167612.db2.gz CEGKIMNEMKUTJN-QHCPKHFHSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1cccc(-c2noc(-c3ccc4nnc([C@H]5C[N@@H+](Cc6ccccc6)CCN5C)n4c3)n2)c1Cl ZINC001217235910 1067167710 /nfs/dbraw/zinc/16/77/10/1067167710.db2.gz DYSZTJHHRSRHLF-JOCHJYFZSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1cccc(-c2noc(-c3ccc4nnc([C@@H]5C[N@@H+](Cc6ccccc6)CCN5C)n4c3)n2)c1Cl ZINC001217235921 1067167826 /nfs/dbraw/zinc/16/78/26/1067167826.db2.gz DYSZTJHHRSRHLF-QFIPXVFZSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1cc(Cl)cc(-c2noc(-c3ccc4nnc([C@H]5C[N@@H+](Cc6ccccc6)CCN5C)n4c3)n2)c1 ZINC001217237060 1067167803 /nfs/dbraw/zinc/16/78/03/1067167803.db2.gz LESOWKOGPIPNQA-HSZRJFAPSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1cc(Cl)cc(-c2noc(-c3ccc4nnc([C@@H]5C[N@@H+](Cc6ccccc6)CCN5C)n4c3)n2)c1 ZINC001217237077 1067167637 /nfs/dbraw/zinc/16/76/37/1067167637.db2.gz LESOWKOGPIPNQA-QHCPKHFHSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1ccc(-c2noc(-c3ccc4nnc([C@H]5C[N@@H+](Cc6ccccc6)CCN5C)n4c3)n2)cc1Cl ZINC001217237193 1067167695 /nfs/dbraw/zinc/16/76/95/1067167695.db2.gz LXTFBHINKJMENV-HSZRJFAPSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1ccc(-c2noc(-c3ccc4nnc([C@@H]5C[N@@H+](Cc6ccccc6)CCN5C)n4c3)n2)cc1Cl ZINC001217237195 1067167539 /nfs/dbraw/zinc/16/75/39/1067167539.db2.gz LXTFBHINKJMENV-QHCPKHFHSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1ccc(-c2noc(-c3ccc4nnc([C@H]5C[N@@H+](Cc6ccccc6)CCN5C)n4c3)n2)c(Cl)c1 ZINC001217237262 1067167589 /nfs/dbraw/zinc/16/75/89/1067167589.db2.gz MLCDVLFZVUQVGC-HSZRJFAPSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1ccc(-c2noc(-c3ccc4nnc([C@@H]5C[N@@H+](Cc6ccccc6)CCN5C)n4c3)n2)c(Cl)c1 ZINC001217237266 1067167514 /nfs/dbraw/zinc/16/75/14/1067167514.db2.gz MLCDVLFZVUQVGC-QHCPKHFHSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1ccc(Cl)cc1-c1noc(-c2ccc3nnc([C@H]4C[N@@H+](Cc5ccccc5)CCN4C)n3c2)n1 ZINC001217237352 1067167668 /nfs/dbraw/zinc/16/76/68/1067167668.db2.gz NGZFWNFPFGWWRO-HSZRJFAPSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1ccc(Cl)cc1-c1noc(-c2ccc3nnc([C@@H]4C[N@@H+](Cc5ccccc5)CCN4C)n3c2)n1 ZINC001217237353 1067167407 /nfs/dbraw/zinc/16/74/07/1067167407.db2.gz NGZFWNFPFGWWRO-QHCPKHFHSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1ccc(Cl)c(-c2noc(-c3ccc4nnc([C@H]5C[N@@H+](Cc6ccccc6)CCN5C)n4c3)n2)c1 ZINC001217238034 1067167738 /nfs/dbraw/zinc/16/77/38/1067167738.db2.gz SCQVZYQJJTVUBK-HSZRJFAPSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1ccc(Cl)c(-c2noc(-c3ccc4nnc([C@@H]5C[N@@H+](Cc6ccccc6)CCN5C)n4c3)n2)c1 ZINC001217238035 1067168520 /nfs/dbraw/zinc/16/85/20/1067168520.db2.gz SCQVZYQJJTVUBK-QHCPKHFHSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1cc(Cl)ccc1-c1noc(-c2ccc3nnc([C@H]4C[N@@H+](Cc5ccccc5)CCN4C)n3c2)n1 ZINC001217238058 1067168469 /nfs/dbraw/zinc/16/84/69/1067168469.db2.gz SLTJSSFQCRNDKT-HSZRJFAPSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1cc(Cl)ccc1-c1noc(-c2ccc3nnc([C@@H]4C[N@@H+](Cc5ccccc5)CCN4C)n3c2)n1 ZINC001217238059 1067168338 /nfs/dbraw/zinc/16/83/38/1067168338.db2.gz SLTJSSFQCRNDKT-QHCPKHFHSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1c(Cl)cccc1-c1noc(-c2ccc3nnc([C@H]4C[N@@H+](Cc5ccccc5)CCN4C)n3c2)n1 ZINC001217238304 1067168503 /nfs/dbraw/zinc/16/85/03/1067168503.db2.gz VFHTYKZXTBOPBR-HSZRJFAPSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1c(Cl)cccc1-c1noc(-c2ccc3nnc([C@@H]4C[N@@H+](Cc5ccccc5)CCN4C)n3c2)n1 ZINC001217238307 1067168424 /nfs/dbraw/zinc/16/84/24/1067168424.db2.gz VFHTYKZXTBOPBR-QHCPKHFHSA-N 1 0 500.006 4.897 20 0 KJADRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)c1nnc(Cc2ccccc2Cl)o1 ZINC001217748054 1067168379 /nfs/dbraw/zinc/16/83/79/1067168379.db2.gz JRLQNTSJSDDNQU-ZCYQVOJMSA-N 1 0 500.002 4.765 20 0 KJADRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)c1nnc(Cc2cccc(Cl)c2)o1 ZINC001217748163 1067168453 /nfs/dbraw/zinc/16/84/53/1067168453.db2.gz LNNKUTXJYMGGRK-ZCYQVOJMSA-N 1 0 500.002 4.765 20 0 KJADRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)c1nnc(Cc2ccc(Cl)cc2)o1 ZINC001217748190 1067168483 /nfs/dbraw/zinc/16/84/83/1067168483.db2.gz LZNXQIXJBFSKOY-ZCYQVOJMSA-N 1 0 500.002 4.765 20 0 KJADRO [NH3+][C@H](CC(=O)N[C@@]1(O)C=Cc2ccccc2[C@@H]1c1c(O)ccc2ccccc21)Cc1ccc(F)c(F)c1 ZINC001221369872 1067168416 /nfs/dbraw/zinc/16/84/16/1067168416.db2.gz NEGDNLDQZVRZQQ-AUMPPRDSSA-N 1 0 500.545 4.747 20 0 KJADRO [NH3+][C@H](CC(=O)N[C@]1(O)C=Cc2ccccc2[C@@H]1c1c(O)ccc2ccccc21)Cc1ccc(F)c(F)c1 ZINC001221369884 1067168364 /nfs/dbraw/zinc/16/83/64/1067168364.db2.gz NEGDNLDQZVRZQQ-HWNGMCCRSA-N 1 0 500.545 4.747 20 0 KJADRO [NH3+][C@H](CC(=O)N[C@@]1(O)C=Cc2ccccc2[C@H]1c1c(O)ccc2ccccc21)Cc1ccc(F)c(F)c1 ZINC001221369888 1067168438 /nfs/dbraw/zinc/16/84/38/1067168438.db2.gz NEGDNLDQZVRZQQ-MYFQQKMJSA-N 1 0 500.545 4.747 20 0 KJADRO [NH3+][C@H](CC(=O)N[C@]1(O)C=Cc2ccccc2[C@H]1c1c(O)ccc2ccccc21)Cc1ccc(F)c(F)c1 ZINC001221369891 1067168440 /nfs/dbraw/zinc/16/84/40/1067168440.db2.gz NEGDNLDQZVRZQQ-NRAUDTLTSA-N 1 0 500.545 4.747 20 0 KJADRO [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@]1(O)C=Cc2ccccc2[C@H]1c1c(O)ccc2ccccc21 ZINC001221370298 1067168409 /nfs/dbraw/zinc/16/84/09/1067168409.db2.gz OZNKIWINMJRFSV-AATDMQHISA-N 1 0 500.639 4.558 20 0 KJADRO [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@]1(O)C=Cc2ccccc2[C@@H]1c1c(O)ccc2ccccc21 ZINC001221370302 1067169400 /nfs/dbraw/zinc/16/94/00/1067169400.db2.gz OZNKIWINMJRFSV-FBMJBXBXSA-N 1 0 500.639 4.558 20 0 KJADRO [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@]1(O)C=Cc2ccccc2[C@@H]1c1c(O)ccc2ccccc21 ZINC001221370303 1067169130 /nfs/dbraw/zinc/16/91/30/1067169130.db2.gz OZNKIWINMJRFSV-JQFLLDSISA-N 1 0 500.639 4.558 20 0 KJADRO [NH3+][C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@]1(O)C=Cc2ccccc2[C@H]1c1c(O)ccc2ccccc21 ZINC001221370305 1067169356 /nfs/dbraw/zinc/16/93/56/1067169356.db2.gz OZNKIWINMJRFSV-WVVGUWQZSA-N 1 0 500.639 4.558 20 0 KJADRO CN1CC[N@H+](Cc2ccccc2)C[C@@H]1c1nnc2ccc(-c3nnc(Cc4ccc(Cl)cc4)o3)cn21 ZINC001254237352 1067170741 /nfs/dbraw/zinc/17/07/41/1067170741.db2.gz KQCIMAMSAARTFG-HSZRJFAPSA-N 1 0 500.006 4.512 20 0 KJADRO CN1CC[N@H+](Cc2ccccc2)C[C@H]1c1nnc2ccc(-c3nnc(Cc4ccc(Cl)cc4)o3)cn21 ZINC001254237384 1067170777 /nfs/dbraw/zinc/17/07/77/1067170777.db2.gz KQCIMAMSAARTFG-QHCPKHFHSA-N 1 0 500.006 4.512 20 0 KJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@]2(O)C=Cc3ccccc3[C@@H]2c2c(O)ccc3ccccc32)CC1=O ZINC001254246191 1067170732 /nfs/dbraw/zinc/17/07/32/1067170732.db2.gz KSMIHAWBCDCUJJ-FXBCZQQTSA-N 1 0 500.595 4.908 20 0 KJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@]2(O)C=Cc3ccccc3[C@@H]2c2c(O)ccc3ccccc32)CC1=O ZINC001254246193 1067170761 /nfs/dbraw/zinc/17/07/61/1067170761.db2.gz KSMIHAWBCDCUJJ-HAALKUMUSA-N 1 0 500.595 4.908 20 0 KJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@]2(O)C=Cc3ccccc3[C@H]2c2c(O)ccc3ccccc32)CC1=O ZINC001254246194 1067170797 /nfs/dbraw/zinc/17/07/97/1067170797.db2.gz KSMIHAWBCDCUJJ-JWNPYGNMSA-N 1 0 500.595 4.908 20 0 KJADRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@]2(O)C=Cc3ccccc3[C@H]2c2c(O)ccc3ccccc32)CC1=O ZINC001254246195 1067170603 /nfs/dbraw/zinc/17/06/03/1067170603.db2.gz KSMIHAWBCDCUJJ-PXDKOKKUSA-N 1 0 500.595 4.908 20 0 KJADRO CN1CC[N@H+](Cc2ccccc2)C[C@@H]1c1nnc2ccc(-c3nnc(Cc4ccccc4Cl)o3)cn21 ZINC001254342110 1067170830 /nfs/dbraw/zinc/17/08/30/1067170830.db2.gz PIRNESTXEUMAAS-HSZRJFAPSA-N 1 0 500.006 4.512 20 0 KJADRO CN1CC[N@H+](Cc2ccccc2)C[C@H]1c1nnc2ccc(-c3nnc(Cc4ccccc4Cl)o3)cn21 ZINC001254342118 1067170632 /nfs/dbraw/zinc/17/06/32/1067170632.db2.gz PIRNESTXEUMAAS-QHCPKHFHSA-N 1 0 500.006 4.512 20 0 KJADRO CN1CC[N@H+](Cc2ccccc2)C[C@@H]1c1nnc2ccc(-c3nnc(Cc4cccc(Cl)c4)o3)cn21 ZINC001254420058 1067170550 /nfs/dbraw/zinc/17/05/50/1067170550.db2.gz ZFWGRFCQNVECGE-HSZRJFAPSA-N 1 0 500.006 4.512 20 0 KJADRO CN1CC[N@H+](Cc2ccccc2)C[C@H]1c1nnc2ccc(-c3nnc(Cc4cccc(Cl)c4)o3)cn21 ZINC001254420059 1067170806 /nfs/dbraw/zinc/17/08/06/1067170806.db2.gz ZFWGRFCQNVECGE-QHCPKHFHSA-N 1 0 500.006 4.512 20 0 KJADRO Cc1cc(Cl)ccc1-c1nnc(-c2ccc3nnc([C@H]4C[N@@H+](Cc5ccccc5)CCN4C)n3c2)o1 ZINC001255273550 1067170699 /nfs/dbraw/zinc/17/06/99/1067170699.db2.gz WZCBJZYQNUDRHE-HSZRJFAPSA-N 1 0 500.006 4.897 20 0 KJADRO Cc1cc(Cl)ccc1-c1nnc(-c2ccc3nnc([C@@H]4C[N@@H+](Cc5ccccc5)CCN4C)n3c2)o1 ZINC001255273551 1067170849 /nfs/dbraw/zinc/17/08/49/1067170849.db2.gz WZCBJZYQNUDRHE-QHCPKHFHSA-N 1 0 500.006 4.897 20 0 KJADRO C[C@@H]1Oc2ccc(C(=O)C(C(=S)NCC3CCC3)[n+]3ccc(Cc4ccccc4)cc3)cc2NC1=O ZINC001318281373 1067170681 /nfs/dbraw/zinc/17/06/81/1067170681.db2.gz QVZPJYOCTLHORW-IBGZPJMESA-O 1 0 500.644 4.885 20 0 KJADRO C[C@H]1Oc2ccc(C(=O)C(C(=S)NCC3CCC3)[n+]3ccc(Cc4ccccc4)cc3)cc2NC1=O ZINC001318281385 1067170877 /nfs/dbraw/zinc/17/08/77/1067170877.db2.gz QVZPJYOCTLHORW-LJQANCHMSA-O 1 0 500.644 4.885 20 0 KJADRO