smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C[n+]1c2ccccc2n(C)c1-c1ccc(Br)cc1 ZINC000012417643 291565128 /nfs/dbraw/zinc/56/51/28/291565128.db2.gz KQABFIQZLRXPKN-NSXLHWASSA-N 1 0 484.458 5.899 1 0 JKAFRO COc1ccc(-c2csc(N3[NH2+]C4=C(C[C@H](c5ccccc5)CC4)[C@]3(O)C(F)(F)F)n2)cc1 ZINC000035999486 523167423 /nfs/dbraw/zinc/16/74/23/523167423.db2.gz PMPAMSURRMCKHB-BOCKYXSRSA-N 1 0 473.520 5.830 2 0 JKAFRO COc1cc(OC)c2c(OC)cc(C)c(-c3c(OC)cc(OC)c4c3C[C@H](C)[N@H+](C)C4(C)C)c2c1 ZINC000095486018 560061817 /nfs/dbraw/zinc/06/18/17/560061817.db2.gz AZSBXINDCVJTJS-KRWDZBQOSA-N 1 0 479.617 5.970 1 0 biogenic,in-vitro JKAFRO CCC[C@H](CC(=O)CCc1ccc(O)c(OCc2ccc3cc(O)ccc3c2)c1)OC[NH2+]C ZINC000085597499 560063067 /nfs/dbraw/zinc/06/30/67/560063067.db2.gz SLRHYUKVSDJXQM-RUZDIDTESA-N 1 0 451.563 5.084 1 0 biogenic,in-vitro JKAFRO CC(C)CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]([C@H](C)c3ccc(C=O)cc3)N3C[C@]23O)C2(CCCC2)C1 ZINC000085547834 560072174 /nfs/dbraw/zinc/07/21/74/560072174.db2.gz UOZCUTAMJPGZDT-GLBGODRASA-N 1 0 452.683 5.360 1 0 biogenic,in-vitro JKAFRO CC(C)(C)CC[N@H+](CCC[C@@]1(O)CC[C@H](O)c2ccccc21)C(c1ccccc1)c1ccccc1 ZINC000033830814 560088744 /nfs/dbraw/zinc/08/87/44/560088744.db2.gz LLPDFJZYRKLCSW-BHDXBOSCSA-N 1 0 471.685 7.009 1 0 biogenic,in-vitro JKAFRO CC(C)N1CCN(CC[NH+]2CCC(c3cn(-c4ccc(F)cc4)c4cc(Cl)ccc34)CC2)C1=O ZINC000000598062 562918310 /nfs/dbraw/zinc/91/83/10/562918310.db2.gz NIMNILHFXBBMBV-UHFFFAOYSA-N 1 0 483.031 5.748 1 0 JKAFRO COc1ccc(C2=C(Cc3ccc(OCC[NH+]4CCCCC4)cc3)c3ccc(O)cc3OC2)cc1 ZINC000000603752 562918636 /nfs/dbraw/zinc/91/86/36/562918636.db2.gz ZUDXUNPSRMREOJ-UHFFFAOYSA-N 1 0 471.597 5.811 1 0 in-man JKAFRO Oc1ccc(-c2sc3cc(O)ccc3c2Cc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000001541973 562920891 /nfs/dbraw/zinc/92/08/91/562920891.db2.gz SGGUFWNHZPVKPN-UHFFFAOYSA-N 1 0 459.611 6.435 1 0 JKAFRO O=c1cc(NCCC[NH2+][C@H]2CCNc3c(Br)cc(Cl)cc32)[nH]c2ccccc12 ZINC000001547743 562921089 /nfs/dbraw/zinc/92/10/89/562921089.db2.gz JAJMWNGCEUXRFG-KRWDZBQOSA-N 1 0 461.791 5.305 1 0 JKAFRO COc1ccc2c(c[n+]3c(c2Cc2ccc(C(C)C)cc2)-c2cc4c(cc2CC3)OCO4)c1OC ZINC000001547149 562921133 /nfs/dbraw/zinc/92/11/33/562921133.db2.gz HYOCQJJCMLLTMV-UHFFFAOYSA-N 1 0 468.573 5.811 1 0 JKAFRO O=c1c(-c2ccccc2)c(SCC[NH+]2CCCC2)n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000001655234 562922718 /nfs/dbraw/zinc/92/27/18/562922718.db2.gz LDBMQBJQVLQAKQ-UHFFFAOYSA-N 1 0 485.678 6.213 1 0 JKAFRO Clc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000001659067 562922869 /nfs/dbraw/zinc/92/28/69/562922869.db2.gz YMHLYVNMSKUMPA-HTAPYJJXSA-N 1 0 462.852 6.852 1 0 JKAFRO FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000001659059 562922880 /nfs/dbraw/zinc/92/28/80/562922880.db2.gz IZLWCYZKYDWQIK-PGRDOPGGSA-N 1 0 461.959 6.564 1 0 JKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@@H](O)[C@@H]2CCCC[NH2+]2)c2cccc(C(F)(F)F)c2n1 ZINC000001728532 562923299 /nfs/dbraw/zinc/92/32/99/562923299.db2.gz XONJCGFSTUUXGQ-GHTZIAJQSA-N 1 0 497.439 5.700 1 0 JKAFRO Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CNC(N)=[NH2+])CC3)o1)C(C)(C)CCC2(C)C ZINC000001905762 562924072 /nfs/dbraw/zinc/92/40/72/562924072.db2.gz NNHMDUJPRLMUTO-UHFFFAOYSA-N 1 0 492.708 5.547 1 0 JKAFRO CC(=O)c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000002002847 562924370 /nfs/dbraw/zinc/92/43/70/562924370.db2.gz MHZGNGBSYZVXAY-UHFFFAOYSA-N 1 0 499.632 6.572 1 0 JKAFRO Cc1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000002002807 562924425 /nfs/dbraw/zinc/92/44/25/562924425.db2.gz DGMUKISOCMQSLX-UHFFFAOYSA-N 1 0 471.622 6.678 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC([C@@H](O)c3ccc(Br)cc3)CC2)CC1 ZINC000003594469 562927349 /nfs/dbraw/zinc/92/73/49/562927349.db2.gz IYUGABYSRYTCQT-VWLOTQADSA-N 1 0 499.493 5.506 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(C(=O)c2cnc3ccc(Br)cn23)cc1 ZINC000003776133 562927691 /nfs/dbraw/zinc/92/76/91/562927691.db2.gz HNZVTBXQVUQCGF-UHFFFAOYSA-N 1 0 486.454 5.999 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(C(=O)c2cn3cc(Br)ccc3n2)cc1 ZINC000003776128 562927743 /nfs/dbraw/zinc/92/77/43/562927743.db2.gz CVPYGDAYCKHONT-UHFFFAOYSA-N 1 0 486.454 5.999 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2c3ccccc3n(C)c2C(C)C)cc1 ZINC000003787715 562928059 /nfs/dbraw/zinc/92/80/59/562928059.db2.gz TXEGGLHMNUOHQD-UHFFFAOYSA-N 1 0 498.733 6.806 1 0 JKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](SCC[NH+]5CCCC5)CC[C@@]43C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000003799869 562928421 /nfs/dbraw/zinc/92/84/21/562928421.db2.gz JKXMFGQEAIPYHA-JEQXNLTJSA-N 1 0 487.750 5.441 1 0 JKAFRO Oc1ccc2c(c1)CC[C@@]21C=C(c2ccc(OCC[NH+]3CCCCC3)cc2)c2cc(O)ccc21 ZINC000003816594 562928953 /nfs/dbraw/zinc/92/89/53/562928953.db2.gz MHJYBRXRPIGQJQ-SSEXGKCCSA-N 1 0 453.582 5.640 1 0 JKAFRO Cc1cc(C)cc(CNC(=O)c2c(Br)c3ccccc3n2Cc2cccc(C(N)=[NH2+])c2)c1 ZINC000003831865 562929512 /nfs/dbraw/zinc/92/95/12/562929512.db2.gz XRHPKJZWBNJDLW-UHFFFAOYSA-N 1 0 489.417 5.283 1 0 JKAFRO COC(=O)c1ccccc1C(=O)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000003921827 562929878 /nfs/dbraw/zinc/92/98/78/562929878.db2.gz QDNUJFRZHNNMOR-LITSAYRRSA-N 1 0 482.624 5.209 1 0 JKAFRO C[C@H]1SC2(CCCC2)C(=O)N1CCCC[NH+]1CCN(c2csc3cc(F)ccc32)CC1 ZINC000003929032 562930005 /nfs/dbraw/zinc/93/00/05/562930005.db2.gz SYTKLFTVOOOLQR-GOSISDBHSA-N 1 0 461.672 5.177 1 0 JKAFRO Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(ncnc2N)n1C1CCC([NH+]2CCCC2)CC1 ZINC000003950287 562930672 /nfs/dbraw/zinc/93/06/72/562930672.db2.gz DJOJKIGNNDWGRS-UHFFFAOYSA-N 1 0 481.644 6.147 1 0 JKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CCC[N@H+](Cc3ccncc3)C2)CC1 ZINC000003955848 562930841 /nfs/dbraw/zinc/93/08/41/562930841.db2.gz LTXGBLVNRQJCGS-UHFFFAOYSA-N 1 0 485.472 5.638 1 0 JKAFRO O=C1N(CCC2CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)CCN1c1c(Cl)cccc1Cl ZINC000003952982 562930845 /nfs/dbraw/zinc/93/08/45/562930845.db2.gz ZJFDCQNJERMIKE-LJQANCHMSA-N 1 0 490.431 5.178 1 0 JKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@]2(CC[N@H+](Cc3ccncc3)C2)C1 ZINC000003955930 562930905 /nfs/dbraw/zinc/93/09/05/562930905.db2.gz JYYYAFRETOKOII-NRFANRHFSA-N 1 0 471.445 5.248 1 0 JKAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(Oc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000003964967 562931155 /nfs/dbraw/zinc/93/11/55/562931155.db2.gz DIXGAFGOLYBWGT-AREMUKBSSA-N 1 0 495.664 5.548 1 0 JKAFRO COc1ccc([C@]2(C)CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000003987178 562931563 /nfs/dbraw/zinc/93/15/63/562931563.db2.gz ODINENOTSWRONR-VWLOTQADSA-N 1 0 477.432 5.561 1 0 JKAFRO COc1ccc(N2Cc3c(c4cc(Cl)ccc4n3C)C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000003987584 562931596 /nfs/dbraw/zinc/93/15/96/562931596.db2.gz FWYDEFAULIELSC-UHFFFAOYSA-N 1 0 467.997 5.111 1 0 JKAFRO Cc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000003989404 562931642 /nfs/dbraw/zinc/93/16/42/562931642.db2.gz QPHKHBUNEICWPT-UHFFFAOYSA-N 1 0 498.454 5.965 1 0 JKAFRO O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000003989383 562931670 /nfs/dbraw/zinc/93/16/70/562931670.db2.gz CKOGHPCHAYJBFY-JOCHJYFZSA-N 1 0 476.646 5.072 1 0 JKAFRO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)c(C)o2)cc1OC ZINC000004034717 562931921 /nfs/dbraw/zinc/93/19/21/562931921.db2.gz MWTSUKHWPXHRNU-XMMPIXPASA-N 1 0 489.616 5.073 3 0 JKAFRO C[C@@H](Nc1nccc(-c2[nH]c(C3CC[NH2+]CC3)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000004617899 562933579 /nfs/dbraw/zinc/93/35/79/562933579.db2.gz PTPMBQNCXYRTGN-QGZVFWFLSA-N 1 0 492.549 6.193 1 0 JKAFRO Clc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2C[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000005596642 562934496 /nfs/dbraw/zinc/93/44/96/562934496.db2.gz YMHLYVNMSKUMPA-VGOFRKELSA-N 1 0 462.852 6.852 1 0 JKAFRO CC[C@H]([NH2+][C@@H](C)c1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000006002178 562936075 /nfs/dbraw/zinc/93/60/75/562936075.db2.gz OTSFFBHMKAJEMN-VYPRRCLOSA-N 1 0 481.636 7.007 1 0 JKAFRO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000006577050 562937605 /nfs/dbraw/zinc/93/76/05/562937605.db2.gz QFPKSEDENWXYMR-UHFFFAOYSA-N 1 0 497.014 5.003 3 0 JKAFRO O=C(CCc1ccc(Cl)cc1Cl)Nc1c(Cl)ccc2nc(N3CC[NH2+]CC3)ccc21 ZINC000006745269 562938386 /nfs/dbraw/zinc/93/83/86/562938386.db2.gz ZOZCOBFRWRSKQM-UHFFFAOYSA-N 1 0 463.796 5.176 1 0 JKAFRO Cc1nc2c(nc(-c3ccccc3)n2CCC[N@H+]2CCCC[C@@H]2C)c(NCc2ccccc2)n1 ZINC000008017399 562938511 /nfs/dbraw/zinc/93/85/11/562938511.db2.gz ANNKCZWRLGFVOS-NRFANRHFSA-N 1 0 454.622 5.678 1 0 JKAFRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000008588624 562941558 /nfs/dbraw/zinc/94/15/58/562941558.db2.gz HUNTUYGOSLDWGM-KRWDZBQOSA-N 1 0 450.583 5.349 1 0 JKAFRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000008588623 562941585 /nfs/dbraw/zinc/94/15/85/562941585.db2.gz HUNTUYGOSLDWGM-QGZVFWFLSA-N 1 0 450.583 5.349 1 0 JKAFRO Clc1ccc([C@@H]2[C@H]3C[N@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000008679916 562950780 /nfs/dbraw/zinc/95/07/80/562950780.db2.gz IJZPIUWYDJXKGL-RKKUSFCFSA-N 1 0 478.039 6.819 3 0 JKAFRO COC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)c2ccc(-c4ccc(C)o4)cc2)CCO3)C1 ZINC000011980090 562958184 /nfs/dbraw/zinc/95/81/84/562958184.db2.gz PQOIHLKJZORAIP-HSZRJFAPSA-N 1 0 474.601 5.148 1 0 JKAFRO CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1ccc3cccc(F)c3n1)CC2 ZINC000012022196 562958446 /nfs/dbraw/zinc/95/84/46/562958446.db2.gz WCCSPNRMISKHQT-SXOMAYOGSA-N 1 0 485.559 5.000 1 0 JKAFRO CCC(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3[nH]c4c(cccc4Cl)c3C)CC2)[C@H]1OC ZINC000012029772 562958818 /nfs/dbraw/zinc/95/88/18/562958818.db2.gz VXFABEYBHUWZLQ-FTJBHMTQSA-N 1 0 466.025 5.259 1 0 JKAFRO Cc1nc2cc(NC(=O)[C@@H]3C[C@@H](Sc4ccccn4)C[N@@H+]3Cc3ccccc3C)ccc2s1 ZINC000012078503 562959107 /nfs/dbraw/zinc/95/91/07/562959107.db2.gz LQUSBBXOBWMADN-GGAORHGYSA-N 1 0 474.655 5.682 1 0 JKAFRO C[C@H]1C[N@H+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C[C@H]1C ZINC000012501373 562960331 /nfs/dbraw/zinc/96/03/31/562960331.db2.gz COJFASLRENZFLP-WZZYAGEBSA-N 1 0 477.626 6.032 1 0 JKAFRO Fc1ccc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)cc1F ZINC000013437552 562962489 /nfs/dbraw/zinc/96/24/89/562962489.db2.gz IPOWGBIGVUKGCJ-UHFFFAOYSA-N 1 0 469.532 5.621 1 0 JKAFRO O=C(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000013437281 562962500 /nfs/dbraw/zinc/96/25/00/562962500.db2.gz NZOFVPRTCOQCBG-UHFFFAOYSA-N 1 0 492.891 6.091 1 0 JKAFRO Clc1cccc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)c1 ZINC000013437505 562962501 /nfs/dbraw/zinc/96/25/01/562962501.db2.gz GOZNHUDRVHSPQO-UHFFFAOYSA-N 1 0 467.997 5.996 1 0 JKAFRO Clc1ccc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)cc1 ZINC000013437509 562962512 /nfs/dbraw/zinc/96/25/12/562962512.db2.gz BGBCDCFUTSISNI-UHFFFAOYSA-N 1 0 467.997 5.996 1 0 JKAFRO C[S@@](=O)c1ccc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)cc1 ZINC000013437539 562962514 /nfs/dbraw/zinc/96/25/14/562962514.db2.gz ULPDAGPBYPHRDB-DHUJRADRSA-N 1 0 495.645 5.080 1 0 JKAFRO c1ccc(CCCC2CC[NH+](C[C@H]3CN4O[C@H](c5ccccc5)C[C@H]4[C@@H]3c3ccccc3)CC2)cc1 ZINC000013439123 562962778 /nfs/dbraw/zinc/96/27/78/562962778.db2.gz ATQZSLPBLOHQLC-ZWDYZTTJSA-N 1 0 480.696 6.882 1 0 JKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4cccc5ncccc54)CC3)CC2)cc1 ZINC000013440427 562963058 /nfs/dbraw/zinc/96/30/58/562963058.db2.gz ZQIBSMJNQOCPSC-UHFFFAOYSA-N 1 0 487.713 6.295 1 0 JKAFRO O=C(NCCC[NH+]1CCC(Cc2ccc(F)cc2)CC1)Nc1cccc(-c2cccs2)c1 ZINC000013443543 562963844 /nfs/dbraw/zinc/96/38/44/562963844.db2.gz YYWWCBOBWQSRAR-UHFFFAOYSA-N 1 0 451.611 6.021 1 0 JKAFRO CC(=O)c1cccc(NC(=O)NCCC[N@@H+]2CC[C@H](Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000013443644 562963872 /nfs/dbraw/zinc/96/38/72/562963872.db2.gz JWLOKPWVWUXPIX-OFSOJUDTSA-N 1 0 483.656 5.967 1 0 JKAFRO O=C(CCC[NH+]1CCC2(CC1)C(=O)N(CCc1ccccc1)CN2c1ccccc1)c1ccc(F)cc1 ZINC000013448523 562964450 /nfs/dbraw/zinc/96/44/50/562964450.db2.gz BBIKLYNFXVJLRQ-UHFFFAOYSA-N 1 0 499.630 5.172 1 0 JKAFRO CCCC[NH+](CCCC)CCCCCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1 ZINC000013451456 562964700 /nfs/dbraw/zinc/96/47/00/562964700.db2.gz QMLGCGGYLQALOR-UHFFFAOYSA-N 1 0 498.733 6.786 1 0 JKAFRO CCC[NH+](CCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1 ZINC000013451421 562964732 /nfs/dbraw/zinc/96/47/32/562964732.db2.gz GPFUTUJQFMQKIL-UHFFFAOYSA-N 1 0 456.652 5.786 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1 ZINC000013451447 562964737 /nfs/dbraw/zinc/96/47/37/562964737.db2.gz BSARWJMYHLNELF-UHFFFAOYSA-N 1 0 470.679 6.006 1 0 JKAFRO CCCCc1cn2ccccc2c1S(=O)(=O)c1ccc(OCCC[NH+](CCCC)CCCC)cc1 ZINC000013451413 562964750 /nfs/dbraw/zinc/96/47/50/562964750.db2.gz XDXZABWKMNMDIL-UHFFFAOYSA-N 1 0 498.733 6.786 1 0 JKAFRO CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCC[NH2+]CCc2ccccc2)cc1 ZINC000013451490 562964754 /nfs/dbraw/zinc/96/47/54/562964754.db2.gz PYQQPPAUDFHVOG-UHFFFAOYSA-N 1 0 476.642 5.497 1 0 JKAFRO CCOC(=O)[C@@H]1CCC[N@H+](CCCCCCOc2ccc3oc(-c4ccccc4)cc(=O)c3c2)C1 ZINC000013454395 562964913 /nfs/dbraw/zinc/96/49/13/562964913.db2.gz DBWCTMRDXGQFNM-HSZRJFAPSA-N 1 0 477.601 5.674 1 0 JKAFRO O=C1Nc2cccc3c2[C@@]1(CCCC[NH+]1CCN(c2ccccc2C(F)(F)F)CC1)CCC3 ZINC000013473689 562966345 /nfs/dbraw/zinc/96/63/45/562966345.db2.gz HYXNSCCPMMIWRC-RUZDIDTESA-N 1 0 457.540 5.224 1 0 JKAFRO O=C1Nc2ccc(Br)c3c2[C@]1(CCCC[N@H+]1CC=C(c2ccccc2)CC1)CCC3 ZINC000013473722 562966370 /nfs/dbraw/zinc/96/63/70/562966370.db2.gz YSXGSFDZDXWYCG-SANMLTNESA-N 1 0 465.435 5.935 1 0 JKAFRO COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)C[NH2+]C(C)(C)C)o2)ccc1-c1cnco1 ZINC000013473609 562966394 /nfs/dbraw/zinc/96/63/94/562966394.db2.gz LACGBVBKCWWDIH-UHFFFAOYSA-N 1 0 475.549 5.100 1 0 JKAFRO CCN(CC)C(=O)c1cccc(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(C)c2F)c1 ZINC000013473989 562966544 /nfs/dbraw/zinc/96/65/44/562966544.db2.gz KKDXXYCLOBEGKD-UHFFFAOYSA-N 1 0 454.477 5.019 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC([C@H](C)c3ccc(Br)cc3)CC2)CC1 ZINC000013474981 562966871 /nfs/dbraw/zinc/96/68/71/562966871.db2.gz UHYXGTUWXYIOFH-JOCHJYFZSA-N 1 0 497.521 6.576 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Oc3ccc(Br)cc3)CC2)CC1 ZINC000013474984 562966895 /nfs/dbraw/zinc/96/68/95/562966895.db2.gz URLJOVIBMPWIOI-UHFFFAOYSA-N 1 0 485.466 5.604 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Cc3cccc(Br)c3)CC2)CC1 ZINC000013474971 562966900 /nfs/dbraw/zinc/96/69/00/562966900.db2.gz INGBRKRPMVCKOQ-UHFFFAOYSA-N 1 0 483.494 6.015 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC([C@@H](C)c3ccc(Br)cc3)CC2)CC1 ZINC000013474982 562966903 /nfs/dbraw/zinc/96/69/03/562966903.db2.gz UHYXGTUWXYIOFH-QFIPXVFZSA-N 1 0 497.521 6.576 1 0 JKAFRO CC(=O)c1cccc(NC(=O)Nc2cc3c(cc2C[NH+]2CCC(Cc4ccccc4)CC2)OCO3)c1 ZINC000013475827 562967136 /nfs/dbraw/zinc/96/71/36/562967136.db2.gz MQFKNRIMMUANLC-UHFFFAOYSA-N 1 0 485.584 5.717 1 0 JKAFRO CNC(=O)c1cccc(NC(=O)Nc2ccccc2)c1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000013475865 562967157 /nfs/dbraw/zinc/96/71/57/562967157.db2.gz HHTCJTLVUIKPEK-UHFFFAOYSA-N 1 0 474.580 5.284 1 0 JKAFRO Cc1cc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)ccc1F ZINC000013479378 562967503 /nfs/dbraw/zinc/96/75/03/562967503.db2.gz BEWKHHCHGVKALU-MHZLTWQESA-N 1 0 494.676 5.808 1 0 JKAFRO O=c1cc(NCCC[NH2+]Cc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000013487760 562967925 /nfs/dbraw/zinc/96/79/25/562967925.db2.gz PDHVQCVGBAIYEA-UHFFFAOYSA-N 1 0 465.189 5.057 1 0 JKAFRO Nc1cc(Br)ccc1C(=O)CCC[N@@H+]1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013488001 562968052 /nfs/dbraw/zinc/96/80/52/562968052.db2.gz SLARGICHHUPLQU-FPOVZHCZSA-N 1 0 486.479 5.168 1 0 JKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H]([NH2+]Cc1cncn1C)C(=O)NCc1ccccc1 ZINC000013489402 562968649 /nfs/dbraw/zinc/96/86/49/562968649.db2.gz FDLPZASLZAJVML-JILBELABSA-N 1 0 462.682 6.004 1 0 JKAFRO COc1cccc2sc(C3CC[NH+](C[C@H](O)COc4cccc5[nH]c(C)cc54)CC3)cc21 ZINC000013490095 562969181 /nfs/dbraw/zinc/96/91/81/562969181.db2.gz SYWVBRYJGFTBHV-IBGZPJMESA-N 1 0 450.604 5.319 1 0 JKAFRO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)N1c2ccc(O)cc2CC[C@H]1c1ccccc1 ZINC000013490106 562969198 /nfs/dbraw/zinc/96/91/98/562969198.db2.gz DMRMYRIKDDOVCY-MHZLTWQESA-N 1 0 456.586 5.591 1 0 JKAFRO Fc1ccc(C(OCCC2CC[NH+](C/C=C/c3cccs3)CC2)c2ccc(F)cc2)cc1 ZINC000013491395 562969403 /nfs/dbraw/zinc/96/94/03/562969403.db2.gz REFWYZSDWMHZTK-HNQUOIGGSA-N 1 0 453.598 6.948 1 0 JKAFRO Fc1ccc(C(OCCC2CC[NH+](Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1 ZINC000013491397 562969407 /nfs/dbraw/zinc/96/94/07/562969407.db2.gz GTWLNJLBBONLRD-UHFFFAOYSA-N 1 0 461.552 7.119 1 0 JKAFRO CCO[C@]12Cc3c4ccccc4[nH]c3[C@]3(C)Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CCC1)CC[C@]532 ZINC000013492437 562969775 /nfs/dbraw/zinc/96/97/75/562969775.db2.gz RQIZRMQZYUKQBF-QVDUQQMDSA-N 1 0 470.613 5.181 1 0 JKAFRO Cc1c(C[NH2+]Cc2ccccc2)[nH]c(=O)c2c3c(ccc12)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000013494053 562970424 /nfs/dbraw/zinc/97/04/24/562970424.db2.gz LYPAORVKEGZQDC-UHFFFAOYSA-N 1 0 492.410 6.476 1 0 JKAFRO C[C@]1(c2ccc(OCC[NH+]3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1 ZINC000013523312 562971038 /nfs/dbraw/zinc/97/10/38/562971038.db2.gz KRKKFOHLNPZSHV-LJAQVGFWSA-N 1 0 460.593 5.722 1 0 JKAFRO C[C@@]1(c2ccc(OCC[NH+]3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(Cl)c1 ZINC000013523382 562971109 /nfs/dbraw/zinc/97/11/09/562971109.db2.gz IOFOGLZEKKPQKF-GDLZYMKVSA-N 1 0 477.048 6.237 1 0 JKAFRO CN1c2ccc(Cl)cc2C(c2ccccc2)=[NH+]C[C@@H]1CCNC(=O)c1ccc(Cl)cc1 ZINC000013525996 562971418 /nfs/dbraw/zinc/97/14/18/562971418.db2.gz JOQGMEWJGYYNAI-NRFANRHFSA-N 1 0 452.385 5.469 1 0 JKAFRO COc1ccccc1N1CC[NH+](Cc2ccccc2CNC(=O)c2ccc3ccccc3c2)CC1 ZINC000013526144 562971530 /nfs/dbraw/zinc/97/15/30/562971530.db2.gz CHFSYCSOMAVVOM-UHFFFAOYSA-N 1 0 465.597 5.101 1 0 JKAFRO COc1cc2[nH+]ccc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OC ZINC000013528827 562971956 /nfs/dbraw/zinc/97/19/56/562971956.db2.gz AKMBGXASUFXUGK-UHFFFAOYSA-N 1 0 484.556 5.398 1 0 JKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000013529021 562971985 /nfs/dbraw/zinc/97/19/85/562971985.db2.gz BSYXRZZXKDWSGO-LJAQVGFWSA-N 1 0 493.647 6.054 1 0 JKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000013529357 562972075 /nfs/dbraw/zinc/97/20/75/562972075.db2.gz KYWRASYTPSAUIR-MHZLTWQESA-N 1 0 465.593 5.621 1 0 JKAFRO COc1ccccc1N1CC[NH+](C[C@@H](O)c2oc3ccccc3c2CCc2ccccc2)CC1 ZINC000013529382 562972112 /nfs/dbraw/zinc/97/21/12/562972112.db2.gz HJWAAFLBIVYLHY-AREMUKBSSA-N 1 0 456.586 5.082 1 0 JKAFRO O=C(C[NH2+]C1CCCC1)N[C@@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000013529578 562972186 /nfs/dbraw/zinc/97/21/86/562972186.db2.gz KMXSJSIRHCXWKV-AREMUKBSSA-N 1 0 464.502 5.685 1 0 JKAFRO FC(F)(F)c1ccc(O[C@H](CC[NH+]2CCN(c3nsc4ccccc43)CC2)c2ccccc2)cc1 ZINC000013530607 562972238 /nfs/dbraw/zinc/97/22/38/562972238.db2.gz RPOZUIGORSHZLP-XMMPIXPASA-N 1 0 497.586 6.648 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534580 562972491 /nfs/dbraw/zinc/97/24/91/562972491.db2.gz RBCQFSWWMJWSAU-AREMUKBSSA-N 1 0 495.494 7.119 1 0 JKAFRO COc1ccc2sc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)cc2c1OC ZINC000013535673 562972676 /nfs/dbraw/zinc/97/26/76/562972676.db2.gz IYVOISDYTHXCOF-OTWHNJEPSA-N 1 0 480.630 5.408 1 0 JKAFRO C[C@H]1C[C@H](c2cc3ccc(Cl)cc3s2)CC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535707 562972697 /nfs/dbraw/zinc/97/26/97/562972697.db2.gz KXKBDSUJUPNHRP-HQRMLTQVSA-N 1 0 455.023 6.044 1 0 JKAFRO C[NH+](C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1NC(=O)c1ccccc1 ZINC000013537659 562972826 /nfs/dbraw/zinc/97/28/26/562972826.db2.gz BWGIJUFDYRJXNY-UHFFFAOYSA-N 1 0 457.599 5.752 1 0 JKAFRO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(S(=O)(=O)c4cccc5ccccc54)CC3)cc12 ZINC000013553506 562973315 /nfs/dbraw/zinc/97/33/15/562973315.db2.gz LBASIIMCRJBNAL-RUZDIDTESA-N 1 0 485.653 5.436 1 0 JKAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2Cc1cc(-c2ccc(Cl)cc2Cl)cnc1[C@@H]3O5 ZINC000013559702 562975030 /nfs/dbraw/zinc/97/50/30/562975030.db2.gz YVSJJZSJQLXGBW-YCULYRLHSA-N 1 0 465.380 5.565 1 0 JKAFRO CC1([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000013560298 562975276 /nfs/dbraw/zinc/97/52/76/562975276.db2.gz ZDSRCGGVWAFNMR-UHFFFAOYSA-N 1 0 492.667 6.465 1 0 JKAFRO COc1cc(Cl)ccc1N1CC[NH+](CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000013586548 562976670 /nfs/dbraw/zinc/97/66/70/562976670.db2.gz STJAWCYYILSFEK-DEOSSOPVSA-N 1 0 470.057 5.225 1 0 JKAFRO COc1cccc2sc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5oc(C)cc54)[C@@H](C)C3)cc21 ZINC000013587203 562976942 /nfs/dbraw/zinc/97/69/42/562976942.db2.gz NNWMNOCTZDIGBT-SXLOBPIMSA-N 1 0 465.615 5.972 1 0 JKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@@H](c3cc4cc(Cl)ccc4s3)C[C@@H]2C)[nH]1 ZINC000013587196 562976948 /nfs/dbraw/zinc/97/69/48/562976948.db2.gz KLXUNZUHLYIIMJ-UEXGIBASSA-N 1 0 469.050 6.352 1 0 JKAFRO CCC[N@@H+](Cc1sc(Nc2c(C)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587337 562976993 /nfs/dbraw/zinc/97/69/93/562976993.db2.gz JELCIOWJPUALOT-UHFFFAOYSA-N 1 0 452.373 7.143 1 0 JKAFRO Oc1ccc2c(c1)CC[C@@]21C=C(c2ccc(CCC[NH+]3CCCCC3)cc2)c2cc(O)ccc21 ZINC000013587744 562977337 /nfs/dbraw/zinc/97/73/37/562977337.db2.gz AURNLLGQGGDHMB-WJOKGBTCSA-N 1 0 451.610 6.194 1 0 JKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nncn12 ZINC000013587834 562977408 /nfs/dbraw/zinc/97/74/08/562977408.db2.gz JCOZTPMIDAVRPV-HHHXNRCGSA-N 1 0 499.405 5.840 1 0 JKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nccn12 ZINC000013587830 562977452 /nfs/dbraw/zinc/97/74/52/562977452.db2.gz CGJFRYFIVOQHJK-MUUNZHRXSA-N 1 0 498.417 6.445 1 0 JKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nccn12 ZINC000013587832 562977458 /nfs/dbraw/zinc/97/74/58/562977458.db2.gz AAAMHEXGLYVZSJ-HHHXNRCGSA-N 1 0 499.405 5.840 1 0 JKAFRO C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)[NH+](C)C ZINC000013587848 562977460 /nfs/dbraw/zinc/97/74/60/562977460.db2.gz SFKPSOAYNYYOLN-IBWRYCSWSA-N 1 0 450.711 6.394 1 0 JKAFRO O=C(NCCCCc1ccc(Cl)c(Cl)c1)c1ccccc1C[NH2+]CCc1ccc(O)cc1 ZINC000013589120 562977928 /nfs/dbraw/zinc/97/79/28/562977928.db2.gz DLPQNLKXLASOCV-UHFFFAOYSA-N 1 0 471.428 5.784 1 0 JKAFRO O=S(=O)(c1cccc2ccccc21)N1CC=C(c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)CC1 ZINC000013589450 562977933 /nfs/dbraw/zinc/97/79/33/562977933.db2.gz XVYKWJGEFVQTSM-UHFFFAOYSA-N 1 0 485.653 5.437 1 0 JKAFRO O=C(NCCCCc1ccc(C(F)(F)F)cc1)c1ccccc1C[NH2+]CCc1ccc(O)cc1 ZINC000013589117 562977987 /nfs/dbraw/zinc/97/79/87/562977987.db2.gz YXXCUQZRVGNUMB-UHFFFAOYSA-N 1 0 470.535 5.496 1 0 JKAFRO COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013613182 562979702 /nfs/dbraw/zinc/97/97/02/562979702.db2.gz YLLQTYFPCPQMDK-BKMJKUGQSA-N 1 0 453.602 5.469 1 0 JKAFRO CC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)ccc1F ZINC000013613306 562979825 /nfs/dbraw/zinc/97/98/25/562979825.db2.gz XXFNYXARXWCONM-BCQCSXDESA-N 1 0 483.603 5.802 1 0 JKAFRO O=C(Nc1ccc2c[nH]nc2c1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613322 562979844 /nfs/dbraw/zinc/97/98/44/562979844.db2.gz ASOLNTMGQZACMS-UWDQQESISA-N 1 0 463.601 5.337 1 0 JKAFRO O=C(Nc1ccc2n[nH]cc2c1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613319 562979846 /nfs/dbraw/zinc/97/98/46/562979846.db2.gz MLPROCBAZKTJHS-STWLZBDKSA-N 1 0 463.601 5.337 1 0 JKAFRO O=C(Nc1cccc(Cl)c1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613280 562979864 /nfs/dbraw/zinc/97/98/64/562979864.db2.gz FVPHCTLIAMZSPI-STWLZBDKSA-N 1 0 458.021 6.114 1 0 JKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(OCCc2cccc(Cl)c2)c1 ZINC000013643351 562980475 /nfs/dbraw/zinc/98/04/75/562980475.db2.gz XKBUEUQVUBZXMJ-UHFFFAOYSA-N 1 0 484.427 5.656 1 0 JKAFRO CC[C@@H]([NH2+]CCCCCCn1c2ccc(O)cc2c(C)c1-c1ccc(O)cc1)c1ccccn1 ZINC000013649988 562981110 /nfs/dbraw/zinc/98/11/10/562981110.db2.gz LBGCYOYWOJZVPF-AREMUKBSSA-N 1 0 457.618 6.724 1 0 JKAFRO Cc1ccc(O)c(N(CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(C)C)c1 ZINC000013651773 562981667 /nfs/dbraw/zinc/98/16/67/562981667.db2.gz CVRPOPFQVQCUBG-UHFFFAOYSA-N 1 0 472.673 5.954 1 0 JKAFRO O[C@H](COc1cccc2ncccc21)C[NH+]1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013652247 562981751 /nfs/dbraw/zinc/98/17/51/562981751.db2.gz PSKYDHRTQUSLQS-SANMLTNESA-N 1 0 486.562 5.851 1 0 JKAFRO COc1ccc(SC[C@H](Cc2ccccc2)N2CC[N@H+](CCc3ccccc3)CCC2=O)cc1 ZINC000013661671 562982376 /nfs/dbraw/zinc/98/23/76/562982376.db2.gz KZKWTMMRPCTLNF-SANMLTNESA-N 1 0 474.670 5.176 3 0 JKAFRO C[N@@H+]1CCCC[C@H]1Cn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21 ZINC000013672802 562982753 /nfs/dbraw/zinc/98/27/53/562982753.db2.gz UMWURODBAKCARO-SFHVURJKSA-N 1 0 461.403 6.272 1 0 JKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCC[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000013674308 562983038 /nfs/dbraw/zinc/98/30/38/562983038.db2.gz VDRWTCGLKKUENO-XMMPIXPASA-N 1 0 488.886 7.543 1 0 JKAFRO O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000013675642 562983272 /nfs/dbraw/zinc/98/32/72/562983272.db2.gz YYNNNHICPRTURU-UHFFFAOYSA-N 1 0 454.618 5.926 1 0 JKAFRO O=C(NCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1[nH]nc2ccccc21 ZINC000013675680 562983287 /nfs/dbraw/zinc/98/32/87/562983287.db2.gz XYRVXZVCEIJZMQ-UHFFFAOYSA-N 1 0 490.051 6.436 1 0 JKAFRO O=C(CCCCCNc1c2ccccc2[nH+]c2c1CCCC2)NCCc1c[nH]c2ccc(O)cc12 ZINC000013679425 562984022 /nfs/dbraw/zinc/98/40/22/562984022.db2.gz DIHZVMMPFILOAT-UHFFFAOYSA-N 1 0 470.617 5.632 1 0 JKAFRO C[C@@H](CC[NH+]1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000013683684 562984225 /nfs/dbraw/zinc/98/42/25/562984225.db2.gz YEGPPYAKYLLLMH-QHCPKHFHSA-N 1 0 463.612 7.367 1 0 JKAFRO Fc1ccc(C(OCCC2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000013683696 562984230 /nfs/dbraw/zinc/98/42/30/562984230.db2.gz OKMFPHWGPZHZKX-GGXMVOPNSA-N 1 0 461.596 6.977 1 0 JKAFRO C[C@H](CC[NH+]1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000013683680 562984274 /nfs/dbraw/zinc/98/42/74/562984274.db2.gz YEGPPYAKYLLLMH-HSZRJFAPSA-N 1 0 463.612 7.367 1 0 JKAFRO Oc1ccc2c(c1)OCC1=C2[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(O)ccc21 ZINC000013687334 562984486 /nfs/dbraw/zinc/98/44/86/562984486.db2.gz DHRWPORNZCWGED-GDLZYMKVSA-N 1 0 471.553 5.399 1 0 JKAFRO CC(C)N1CCN(CC[NH+]2CCC(c3cn(-c4ccccc4)c4cc(Cl)ccc34)CC2)C1=O ZINC000013731196 562985211 /nfs/dbraw/zinc/98/52/11/562985211.db2.gz DRSRXSCHUHUFBD-UHFFFAOYSA-N 1 0 465.041 5.609 1 0 JKAFRO CC(C)c1ccc2c(C3CC[NH+](CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccc(F)cc3)c2c1 ZINC000013731174 562985222 /nfs/dbraw/zinc/98/52/22/562985222.db2.gz KSBIMIXXUPKBLA-UHFFFAOYSA-N 1 0 490.667 6.218 1 0 JKAFRO O=C(NC(=S)NCCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Oc2ccccc2)c1 ZINC000013734734 562985764 /nfs/dbraw/zinc/98/57/64/562985764.db2.gz XHVHVBLYTOMNFT-UHFFFAOYSA-N 1 0 473.642 5.386 1 0 JKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NC(=O)CCCCC[NH+](C)C)c1ccccc1 ZINC000013737165 562986022 /nfs/dbraw/zinc/98/60/22/562986022.db2.gz UOLZANZJFDHNNL-AREMUKBSSA-N 1 0 480.697 6.034 1 0 JKAFRO O=C(NCCC[NH+]1CCC(c2noc3cc(Cl)ccc32)CC1)c1nsc2ccccc21 ZINC000013737873 562986271 /nfs/dbraw/zinc/98/62/71/562986271.db2.gz TZNZWIRUAXXIMC-UHFFFAOYSA-N 1 0 454.983 5.090 1 0 JKAFRO Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cccc3c2n1[C@H](C1CCCCC1)CC3 ZINC000013740438 562986832 /nfs/dbraw/zinc/98/68/32/562986832.db2.gz SNSQNTMMECTXHN-NDEPHWFRSA-N 1 0 456.678 6.085 1 0 JKAFRO COc1cc(C(=O)c2ccccc2)ccc1OCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000013740861 562986922 /nfs/dbraw/zinc/98/69/22/562986922.db2.gz YTLSATPLIMMBNL-UHFFFAOYSA-N 1 0 488.559 5.855 1 0 JKAFRO Cc1cc(OCCC[NH+](C)C)cc(C)c1NC(=O)Cc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013741301 562987039 /nfs/dbraw/zinc/98/70/39/562987039.db2.gz LLKVEJBIUXHJPL-UHFFFAOYSA-N 1 0 479.020 5.700 1 0 JKAFRO COC(=O)c1ccccc1SC[C@H](C[NH+](C)C)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000013741938 562987082 /nfs/dbraw/zinc/98/70/82/562987082.db2.gz ZCKJJEAXMUMRLO-QFIPXVFZSA-N 1 0 463.599 5.205 1 0 JKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CC3)COc3ccccc3C4)c3ccccc32)cc1 ZINC000013741551 562987098 /nfs/dbraw/zinc/98/70/98/562987098.db2.gz UCYPMFOMFINLGC-UHFFFAOYSA-N 1 0 468.616 6.810 1 0 JKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(COc5ccccc54)CC3)c3ccccc32)cc1 ZINC000013741548 562987119 /nfs/dbraw/zinc/98/71/19/562987119.db2.gz GWMIKZQCGGCALP-UHFFFAOYSA-N 1 0 454.589 6.519 1 0 JKAFRO O=C1OC2(CN1Cc1cccc3ccccc31)CC[NH+](CCc1c[nH]c3ccc(F)cc13)CC2 ZINC000013743432 562987756 /nfs/dbraw/zinc/98/77/56/562987756.db2.gz SJRNWWHLGKLIJO-UHFFFAOYSA-N 1 0 457.549 5.490 1 0 JKAFRO O=C1OC2(CN1Cc1ccc3ccccc3c1)CC[NH+](CCc1c[nH]c3ccc(F)cc13)CC2 ZINC000013743431 562987762 /nfs/dbraw/zinc/98/77/62/562987762.db2.gz FDTLBJGKWZTQIB-UHFFFAOYSA-N 1 0 457.549 5.490 1 0 JKAFRO Clc1cc(Cl)cc(CO[C@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000013744511 562987966 /nfs/dbraw/zinc/98/79/66/562987966.db2.gz VLLJECVRBGSGCF-SXOMAYOGSA-N 1 0 452.425 6.805 1 0 JKAFRO FC(F)(F)c1cc(-c2ncn(CCC[NH+]3CCOCC3)c2-c2ccncc2)cc(C(F)(F)F)c1 ZINC000013759024 562989099 /nfs/dbraw/zinc/98/90/99/562989099.db2.gz NMHJJEKVRLBAEG-UHFFFAOYSA-N 1 0 484.444 5.372 1 0 JKAFRO C[C@H]1SC(C)(C)C(=O)N1CCCC[NH+]1CCN(c2cn(-c3ccc(F)cc3)c3ccccc23)CC1 ZINC000013759418 562989227 /nfs/dbraw/zinc/98/92/27/562989227.db2.gz YGZBJEJSQMGESX-OAQYLSRUSA-N 1 0 494.680 5.372 1 0 JKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(-c6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000013780466 562991798 /nfs/dbraw/zinc/99/17/98/562991798.db2.gz KLYHOTNAJOEIKN-SSHYCOHZSA-N 1 0 490.603 5.240 1 0 JKAFRO COc1ccc(CC[NH2+]CCCC[C@@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000013780766 562991908 /nfs/dbraw/zinc/99/19/08/562991908.db2.gz PAHAMFYIPSIRLN-RUZDIDTESA-N 1 0 460.618 5.474 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2[C@H](C)c2ccccc2)c1 ZINC000013781117 562992049 /nfs/dbraw/zinc/99/20/49/562992049.db2.gz KDLUBXVKFJCDHI-JWZRJXMASA-N 1 0 477.652 6.418 1 0 JKAFRO CNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000013781333 562992200 /nfs/dbraw/zinc/99/22/00/562992200.db2.gz RDDTTZUMDKWHJZ-UHFFFAOYSA-N 1 0 472.541 5.079 1 0 JKAFRO CC(C)[NH+]1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000013781988 562992236 /nfs/dbraw/zinc/99/22/36/562992236.db2.gz OTBVEXMPXATWMB-UHFFFAOYSA-N 1 0 459.474 6.683 1 0 JKAFRO C[N@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccccc1 ZINC000013781681 562992284 /nfs/dbraw/zinc/99/22/84/562992284.db2.gz XKMYQBUHKIAVCW-SANMLTNESA-N 1 0 468.707 6.083 1 0 JKAFRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC(C[NH2+]Cc2cccc(-c3nccs3)n2)CC1 ZINC000013782355 562992495 /nfs/dbraw/zinc/99/24/95/562992495.db2.gz NTCYZWZXRNJMAE-UHFFFAOYSA-N 1 0 461.418 5.154 1 0 JKAFRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC(C[NH2+]Cc2cccc(-c3cccs3)n2)CC1 ZINC000013782354 562992510 /nfs/dbraw/zinc/99/25/10/562992510.db2.gz CKSMNIPCJNWJND-UHFFFAOYSA-N 1 0 460.430 5.759 1 0 JKAFRO Clc1ccc([C@H]2[C@H]3C[N@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000013812925 562995821 /nfs/dbraw/zinc/99/58/21/562995821.db2.gz FEVUYPDYBLXQOV-IKKIGVOYSA-N 1 0 479.027 6.214 3 0 JKAFRO O=C(c1cccs1)N(c1ccc(Br)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000013817781 562996840 /nfs/dbraw/zinc/99/68/40/562996840.db2.gz MMFZKXHXJMXHLL-UHFFFAOYSA-N 1 0 455.421 5.822 1 0 JKAFRO Cc1cccn2cc(-c3ccc(OCCC[NH+]([C@H](C)c4ccccc4)[C@H](C)c4ccccc4)cc3)nc12 ZINC000013819572 562997226 /nfs/dbraw/zinc/99/72/26/562997226.db2.gz STGUFHDPMAXHPU-KAYWLYCHSA-N 1 0 489.663 7.903 1 0 JKAFRO O=C([O-])[C@@H](C1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819437 562997238 /nfs/dbraw/zinc/99/72/38/562997238.db2.gz QAAUGXPLWDIPBN-FRXPANAUSA-N 1 0 474.689 5.690 1 0 JKAFRO O=C([O-])[C@@H](C1CCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819441 562997290 /nfs/dbraw/zinc/99/72/90/562997290.db2.gz KQPOJCCWDXCAIU-OJDZSJEKSA-N 1 0 488.716 6.080 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2cccc(F)c2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820070 562997321 /nfs/dbraw/zinc/99/73/21/562997321.db2.gz NGZRXWCEOKTPGN-FFCVWOAGSA-N 1 0 481.681 5.498 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@@H]21 ZINC000013820119 562997376 /nfs/dbraw/zinc/99/73/76/562997376.db2.gz BHRXKDVRJKFVJL-YGZVCBRSSA-N 1 0 481.681 5.498 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820067 562997406 /nfs/dbraw/zinc/99/74/06/562997406.db2.gz GSFHBUIMEQSHCH-FFCVWOAGSA-N 1 0 498.136 6.012 1 0 JKAFRO COc1ccccc1N1CC[NH+](CCCC(=O)N[C@H]2c3ccccc3SC[C@@H]3CCCC[C@H]32)CC1 ZINC000013820081 562997417 /nfs/dbraw/zinc/99/74/17/562997417.db2.gz JXFNDNDOGDNGDK-QFWOEDSFSA-N 1 0 493.717 5.367 1 0 JKAFRO O=C(CCCC[NH+]1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2C=Cc2ccccc21 ZINC000013820596 562997548 /nfs/dbraw/zinc/99/75/48/562997548.db2.gz YUTYBJCDLALIHQ-UHFFFAOYSA-N 1 0 469.604 5.508 1 0 JKAFRO CC(=O)Nc1ccc(OCCC[NH+]2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013824974 562998205 /nfs/dbraw/zinc/99/82/05/562998205.db2.gz QCBNSZSMQVKLAQ-UHFFFAOYSA-N 1 0 478.583 6.236 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cc3ccccn32)cc1 ZINC000013827195 562998584 /nfs/dbraw/zinc/99/85/84/562998584.db2.gz XVKSCRWGZPSWLD-UHFFFAOYSA-N 1 0 484.706 6.567 1 0 JKAFRO Cc1ccc(SC[C@@H](Cc2ccccc2)N2CC[N@H+](CCc3ccccc3)CCC2=O)cc1 ZINC000013830346 562999224 /nfs/dbraw/zinc/99/92/24/562999224.db2.gz NLUNFZLCNBXHOE-HHHXNRCGSA-N 1 0 458.671 5.475 1 0 JKAFRO COc1cc(OC)c([C@@H](CC[NH+]2CCCCC2)c2ccc(N(C)C)cc2)c2oc(=O)cc(C)c12 ZINC000013830784 562999330 /nfs/dbraw/zinc/99/93/30/562999330.db2.gz MPBIQLDILHIEQZ-QFIPXVFZSA-N 1 0 464.606 5.193 1 0 JKAFRO CC(C)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834307 563000956 /nfs/dbraw/zinc/00/09/56/563000956.db2.gz KVSMDTMVLWQENJ-UHFFFAOYSA-N 1 0 499.676 7.493 1 0 JKAFRO COc1ccc2c(c1)sc(-c1ccccc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834301 563001003 /nfs/dbraw/zinc/00/10/03/563001003.db2.gz GPKIORIMKNVYJP-UHFFFAOYSA-N 1 0 471.622 6.673 1 0 JKAFRO Cc1cc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)ccc1O ZINC000013834315 563001005 /nfs/dbraw/zinc/00/10/05/563001005.db2.gz UJAZLJYGTKUQPF-UHFFFAOYSA-N 1 0 487.621 6.384 1 0 JKAFRO O=C(NC1CC[NH+](CC2=CCCCCCC2)CC1)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc21 ZINC000013862621 563002960 /nfs/dbraw/zinc/00/29/60/563002960.db2.gz YWCUXSPKJLKOPM-UHFFFAOYSA-N 1 0 499.482 7.092 1 0 JKAFRO COc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCCCC2)cc(Br)c2ccccc21 ZINC000013862886 563003117 /nfs/dbraw/zinc/00/31/17/563003117.db2.gz WATKEYSVNBHFPF-VCSGRIEYSA-N 1 0 499.493 6.449 1 0 JKAFRO COc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(Br)c2ccccc21 ZINC000013862887 563003135 /nfs/dbraw/zinc/00/31/35/563003135.db2.gz JDNRAJORTMVTCX-SEJPIABJSA-N 1 0 493.445 5.926 1 0 JKAFRO C[NH+](C)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1 ZINC000013862914 563003148 /nfs/dbraw/zinc/00/31/48/563003148.db2.gz MFSBWOHCIGSWTP-UHFFFAOYSA-N 1 0 490.439 5.282 1 0 JKAFRO CCCCC1(CCCC)[NH2+][C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3cc(Cl)ccc3[nH]c21 ZINC000013863927 563003649 /nfs/dbraw/zinc/00/36/49/563003649.db2.gz DBLQQFZKWOTGKW-XMMPIXPASA-N 1 0 461.053 7.674 1 0 JKAFRO O=C(OCCc1ccc(F)cc1)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013864327 563003953 /nfs/dbraw/zinc/00/39/53/563003953.db2.gz NEUFWHZAVWYYSZ-UHFFFAOYSA-N 1 0 496.573 6.013 1 0 JKAFRO CN(C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccs1)S(=O)(=O)c1ccccc1 ZINC000013913017 563004606 /nfs/dbraw/zinc/00/46/06/563004606.db2.gz BWMWEXXFAXIRIO-DEOSSOPVSA-N 1 0 468.688 5.422 1 0 JKAFRO O=C([O-])[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000013974806 563004805 /nfs/dbraw/zinc/00/48/05/563004805.db2.gz FLDDBSYUKQDTDX-UUOWRZLLSA-N 1 0 477.432 5.375 1 0 JKAFRO COc1ccc([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000013977826 563005131 /nfs/dbraw/zinc/00/51/31/563005131.db2.gz QFCKEEGOMLEOKN-LJQANCHMSA-N 1 0 463.405 5.387 1 0 JKAFRO O[C@@H]1CCCc2[nH+]c3ccccc3c(NCCCC(c3cccc(F)c3)c3cccc(F)c3)c21 ZINC000014946485 563006788 /nfs/dbraw/zinc/00/67/88/563006788.db2.gz RMJNBGWBTQUGAS-HHHXNRCGSA-N 1 0 458.552 6.907 1 0 JKAFRO c1ccc2c(c1)nc1c(c2SCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000014947271 563006901 /nfs/dbraw/zinc/00/69/01/563006901.db2.gz IADLMALHTDAHCP-UHFFFAOYSA-N 1 0 495.736 8.305 1 0 JKAFRO NC(=[NH2+])c1ccc2scc(C3(C(=O)Nc4ccc(-n5cnc6ccccc65)cc4)CC3)c2c1 ZINC000014950926 563007179 /nfs/dbraw/zinc/00/71/79/563007179.db2.gz PSUWLRACXBOUOG-UHFFFAOYSA-N 1 0 451.555 5.195 1 0 JKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@@H](Cc3cccnc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950808 563007180 /nfs/dbraw/zinc/00/71/80/563007180.db2.gz VBDBTLANBDJZRR-XMMPIXPASA-N 1 0 499.578 5.151 1 0 JKAFRO [NH3+][C@H](COc1cncc(/C=C/c2ccnc(Oc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12 ZINC000014957760 563007906 /nfs/dbraw/zinc/00/79/06/563007906.db2.gz MSGFDGARFSWAMJ-LTDXDOBXSA-N 1 0 462.553 5.869 1 0 JKAFRO CCC(CC)C[NH+]1CCC(O)(c2ccc3oc(C(=O)Nc4ccc(OC)cc4)cc3c2)CC1 ZINC000014958703 563008143 /nfs/dbraw/zinc/00/81/43/563008143.db2.gz DRHLMKSQONUYFD-UHFFFAOYSA-N 1 0 450.579 5.413 1 0 JKAFRO CC(C)[NH+]1CCC(CNC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014959650 563008283 /nfs/dbraw/zinc/00/82/83/563008283.db2.gz OYIDOIKTXHNHIG-UHFFFAOYSA-N 1 0 497.064 5.910 1 0 JKAFRO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1 ZINC000014959678 563008288 /nfs/dbraw/zinc/00/82/88/563008288.db2.gz XDOHRNCCDDHHBW-KRWDZBQOSA-N 1 0 469.010 5.272 1 0 JKAFRO C[NH2+]Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl ZINC000014963023 563008561 /nfs/dbraw/zinc/00/85/61/563008561.db2.gz CYFNXPSIQONWKY-UHFFFAOYSA-N 1 0 499.807 5.336 1 0 in-vivo JKAFRO CC[C@H](C)C1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000014969897 563009567 /nfs/dbraw/zinc/00/95/67/563009567.db2.gz NSFFTMSKXQWKRS-JYEUPPAVSA-N 1 0 498.752 5.515 1 0 JKAFRO C[N@@H+]1CCC[C@H]1CCCOc1ccc2c(c1)nccc2-c1c2n(nc1-c1ccccn1)CCC2 ZINC000014976414 563010361 /nfs/dbraw/zinc/01/03/61/563010361.db2.gz JXPPWBILJRHGIF-FQEVSTJZSA-N 1 0 453.590 5.360 1 0 JKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1ncc(-c2ccc(Br)cc2)s1 ZINC000014978590 563010755 /nfs/dbraw/zinc/01/07/55/563010755.db2.gz BEKJWERDBUYMAG-HIUFNZKISA-N 1 0 473.867 6.960 1 0 JKAFRO CC(=O)NCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000014978671 563010829 /nfs/dbraw/zinc/01/08/29/563010829.db2.gz MAAGOEXGVQQQHU-ZIADKAODSA-N 1 0 458.602 5.208 1 0 JKAFRO COc1ccc(NC(=O)c2cc3cc(C4(O)CC[NH+](C[C@H]5CC=CCC5)CC4)ccc3o2)cc1 ZINC000014980783 563011107 /nfs/dbraw/zinc/01/11/07/563011107.db2.gz PAWUHDZJXAGISK-FQEVSTJZSA-N 1 0 460.574 5.333 1 0 JKAFRO COc1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1Br ZINC000015936830 563012234 /nfs/dbraw/zinc/01/22/34/563012234.db2.gz JIBHXAVMDBQDNN-UHFFFAOYSA-N 1 0 457.348 5.741 3 0 JKAFRO C[C@@H]1C[NH+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C[C@H]1C ZINC000016051663 563012771 /nfs/dbraw/zinc/01/27/71/563012771.db2.gz COJFASLRENZFLP-FNZLKOBSSA-N 1 0 477.626 6.032 1 0 in-vitro JKAFRO c1ccc(C[NH+]2CCN(c3cc(-c4cncc(-c5ccccc5)c4)nc(-c4ccccc4)n3)CC2)cc1 ZINC000016079478 563013062 /nfs/dbraw/zinc/01/30/62/563013062.db2.gz QBLCGKFTFHBXAS-UHFFFAOYSA-N 1 0 483.619 6.195 1 0 JKAFRO Cc1ccc(O)c(NCCC[N@@H+]2CCCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000022441640 563016830 /nfs/dbraw/zinc/01/68/30/563016830.db2.gz ZUGSKSLEZRYICG-MUUNZHRXSA-N 1 0 464.053 5.953 1 0 JKAFRO Cc1ccc(O)c(NCCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000022441644 563016962 /nfs/dbraw/zinc/01/69/62/563016962.db2.gz NCTNOLFSUSZBNE-HHHXNRCGSA-N 1 0 450.026 5.563 1 0 JKAFRO Fc1ccc([C@H](OCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000022925609 563017703 /nfs/dbraw/zinc/01/77/03/563017703.db2.gz LKHJTNMKBCYRBQ-BBELGVGPSA-N 1 0 465.012 5.916 1 0 JKAFRO Fc1ccc(C[NH2+][C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)N(Cc3ccc(F)cc3)C2)cc1 ZINC000022932239 563018460 /nfs/dbraw/zinc/01/84/60/563018460.db2.gz KVWQMPXTOQRZSX-FIRIVFDPSA-N 1 0 482.618 6.920 1 0 JKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccccc4)C[C@H]23)CC1 ZINC000022935398 563018910 /nfs/dbraw/zinc/01/89/10/563018910.db2.gz OTUYJHFHWAHNGR-AVPJRLCVSA-N 1 0 485.047 5.071 1 0 JKAFRO C[C@@H]1C[N@H+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1C/C=C/c1ccccc1 ZINC000022938517 563019247 /nfs/dbraw/zinc/01/92/47/563019247.db2.gz PAMWYTGSEASMOS-GOHAXOGJSA-N 1 0 476.611 6.179 1 0 JKAFRO Fc1ccc(C(OCCN2CC[NH+](Cc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)cc1 ZINC000022938670 563019260 /nfs/dbraw/zinc/01/92/60/563019260.db2.gz ILGNFWPPCYONIB-UHFFFAOYSA-N 1 0 472.579 6.042 1 0 JKAFRO CC1(C)CN(CCOC(c2ccccc2)c2ccccc2)CC[N@H+](CCCc2ccccc2)C1 ZINC000022938465 563019271 /nfs/dbraw/zinc/01/92/71/563019271.db2.gz PMRSEBICFQGPAR-UHFFFAOYSA-N 1 0 456.674 6.069 1 0 JKAFRO Oc1cccc(/C=C/CN2CC[NH+](CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000022939401 563019371 /nfs/dbraw/zinc/01/93/71/563019371.db2.gz QKTJWQWKIRTLHI-DUXPYHPUSA-N 1 0 464.556 5.107 1 0 JKAFRO CC(C)c1cccc([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CC[NH2+]CC2)c1 ZINC000022941691 563019816 /nfs/dbraw/zinc/01/98/16/563019816.db2.gz PKAFUPCGJKCHLU-JOCHJYFZSA-N 1 0 474.489 6.011 1 0 JKAFRO C[NH+](C)[C@H]1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)C1 ZINC000023361019 563020282 /nfs/dbraw/zinc/02/02/82/563020282.db2.gz AADBANJKFIORNE-FQEVSTJZSA-N 1 0 455.046 5.586 1 0 JKAFRO COc1ccc(CC2(C[NH+]3CCC(COC(c4ccccc4)c4ccccc4)CC3)CCCCC2)cc1 ZINC000025999909 563021281 /nfs/dbraw/zinc/02/12/81/563021281.db2.gz XHGDDOLNEITXLD-UHFFFAOYSA-N 1 0 497.723 7.706 1 0 JKAFRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000026146469 563022308 /nfs/dbraw/zinc/02/23/08/563022308.db2.gz VWYDECMNCXHJOZ-GBXCKJPGSA-N 1 0 479.045 5.734 1 0 JKAFRO Oc1ccc2c(c1)sc(C1CCCC1)c2[C@@H](O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026171758 563023314 /nfs/dbraw/zinc/02/33/14/563023314.db2.gz PVVLWCPJHYTIRO-SANMLTNESA-N 1 0 451.632 6.211 1 0 JKAFRO CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccc(F)cc2)cc1 ZINC000026184023 563023982 /nfs/dbraw/zinc/02/39/82/563023982.db2.gz USDNSHPCUINRQT-QRRGNZNSSA-N 1 0 496.670 6.979 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccc(O)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2Cl)cc1 ZINC000026185799 563024070 /nfs/dbraw/zinc/02/40/70/563024070.db2.gz RXYINDLSJYTPSX-WMPKNSHKSA-N 1 0 487.043 6.424 1 0 JKAFRO FC(F)(F)c1cc(CO[C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000026186040 563024087 /nfs/dbraw/zinc/02/40/87/563024087.db2.gz JFKWNUOGNLIQPF-DQEYMECFSA-N 1 0 493.491 7.647 1 0 JKAFRO O=C(CCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000026188784 563024156 /nfs/dbraw/zinc/02/41/56/563024156.db2.gz NQRHMLUTKOPEPE-AZGAKELHSA-N 1 0 450.504 6.077 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCCc2ccccc2)cc1 ZINC000026188891 563024161 /nfs/dbraw/zinc/02/41/61/563024161.db2.gz IFWGUYKGAGUQFA-RNPORBBMSA-N 1 0 464.653 6.498 1 0 JKAFRO O=c1oc2ccccc2n1CCCC[N@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026187647 563024174 /nfs/dbraw/zinc/02/41/74/563024174.db2.gz XYBZNBKNSSNTBJ-ILBGXUMGSA-N 1 0 475.539 5.663 1 0 JKAFRO CC(C)(C)NC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026189314 563024193 /nfs/dbraw/zinc/02/41/93/563024193.db2.gz GLAXFVSHHLTFKB-RNPORBBMSA-N 1 0 478.680 6.886 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccc(O)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026190189 563024324 /nfs/dbraw/zinc/02/43/24/563024324.db2.gz SAQVQUXKKOEWAI-HNRBIFIRSA-N 1 0 466.625 5.813 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026259289 563024658 /nfs/dbraw/zinc/02/46/58/563024658.db2.gz JBSWJHDISRKUBT-LOYHVIPDSA-N 1 0 471.641 6.647 1 0 JKAFRO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCC[NH+]1CCC(c2ccccc2)CC1 ZINC000026262991 563024781 /nfs/dbraw/zinc/02/47/81/563024781.db2.gz CPIGEJCBSAFCDU-UHFFFAOYSA-N 1 0 467.613 5.142 1 0 JKAFRO C[C@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000026285556 563025505 /nfs/dbraw/zinc/02/55/05/563025505.db2.gz MZPZPLOHGVBKAT-AUSIDOKSSA-N 1 0 488.550 5.776 1 0 JKAFRO [NH3+]CCC[C@H](NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026382555 563026899 /nfs/dbraw/zinc/02/68/99/563026899.db2.gz AOFNEGJMWUVJQQ-HSZRJFAPSA-N 1 0 454.463 5.329 1 0 JKAFRO [NH3+]CCC[C@@H](NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026382551 563026912 /nfs/dbraw/zinc/02/69/12/563026912.db2.gz AOFNEGJMWUVJQQ-QHCPKHFHSA-N 1 0 454.463 5.329 1 0 JKAFRO NC(=[NH2+])c1cccc(O[C@@H](C(=O)Nc2ccc(-n3cnc(Cl)c3Cl)cc2)c2ccccc2)c1 ZINC000026385283 563027025 /nfs/dbraw/zinc/02/70/25/563027025.db2.gz BKUDGMPUAUOPSY-HXUWFJFHSA-N 1 0 480.355 5.222 1 0 JKAFRO COc1cc(-c2c(C)c3cccc4c3n2C[C@@H](CC[NH+]2CCN(c3cc(C)ccn3)CC2)O4)ccc1O ZINC000026473180 563028029 /nfs/dbraw/zinc/02/80/29/563028029.db2.gz NJNGWQSMOHNUIR-HSZRJFAPSA-N 1 0 498.627 5.008 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(C(C)(C)C)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026497894 563028868 /nfs/dbraw/zinc/02/88/68/563028868.db2.gz FIDIUXOFRTVBPX-JOCHJYFZSA-N 1 0 477.114 5.893 1 0 JKAFRO C[C@H](C[NH2+]Cc1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1)c1ccccc1 ZINC000026497033 563028873 /nfs/dbraw/zinc/02/88/73/563028873.db2.gz MARYJKFBRZVLCP-QGZVFWFLSA-N 1 0 492.505 5.164 1 0 JKAFRO Cc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026508340 563029559 /nfs/dbraw/zinc/02/95/59/563029559.db2.gz TUWAJCMXXFZLOS-UHFFFAOYSA-N 1 0 469.581 6.865 1 0 JKAFRO CCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026568780 563029882 /nfs/dbraw/zinc/02/98/82/563029882.db2.gz OAJSYSKCXTXABR-UHFFFAOYSA-N 1 0 483.608 7.119 1 0 JKAFRO CC[NH+](CC)CCOc1ccc(/C(=C(/Br)c2ccccc2)c2ccc(O)cc2)cc1 ZINC000026568566 563029896 /nfs/dbraw/zinc/02/98/96/563029896.db2.gz DEEWXNZAAGBXOF-OCEACIFDSA-N 1 0 466.419 6.424 1 0 JKAFRO O=C(CC1CC[NH2+]CC1)N1CCC(=C2c3ccc(Cl)cc3SCc3cccnc32)CC1 ZINC000026569058 563029943 /nfs/dbraw/zinc/02/99/43/563029943.db2.gz REACFXVGXXIOJH-UHFFFAOYSA-N 1 0 454.039 5.155 1 0 JKAFRO CCc1c(-c2ccccc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026568979 563029956 /nfs/dbraw/zinc/02/99/56/563029956.db2.gz ZKPUWBASAVMSDI-UHFFFAOYSA-N 1 0 467.609 7.413 1 0 JKAFRO CCCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026572661 563030102 /nfs/dbraw/zinc/03/01/02/563030102.db2.gz JGJPGWCZPKIATB-UHFFFAOYSA-N 1 0 497.635 7.509 1 0 JKAFRO COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OCCCC[NH+](C)C ZINC000026573215 563030144 /nfs/dbraw/zinc/03/01/44/563030144.db2.gz MWSUARADAXHTLM-DNQXCXABSA-N 1 0 467.654 5.267 1 0 JKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(C(F)(F)F)ccc3c2OCC[C@H]2CCCC[N@H+]2C)c1 ZINC000026577347 563030786 /nfs/dbraw/zinc/03/07/86/563030786.db2.gz IODGDPAFYOIVDN-HXUWFJFHSA-N 1 0 458.524 6.084 1 0 JKAFRO [NH3+]CCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc32)nc2cc(Cl)cc(Cl)c21 ZINC000026641142 563031552 /nfs/dbraw/zinc/03/15/52/563031552.db2.gz AAWBSFDSSBENSP-UHFFFAOYSA-N 1 0 478.177 5.141 1 0 JKAFRO COc1cccc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)c1 ZINC000026649938 563032017 /nfs/dbraw/zinc/03/20/17/563032017.db2.gz PJJZULVPTBLADB-HHHXNRCGSA-N 1 0 492.685 5.369 1 0 JKAFRO Oc1ccc2c(c1)S[C@@H](c1ccccc1O)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026653772 563032249 /nfs/dbraw/zinc/03/22/49/563032249.db2.gz KGLHEVXFWIJETJ-SXOMAYOGSA-N 1 0 463.599 5.930 1 0 JKAFRO Oc1ccc([C@@H]2Sc3c(Cl)cc(O)cc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026654790 563032279 /nfs/dbraw/zinc/03/22/79/563032279.db2.gz RSGSDAZRNVPOTK-FTJBHMTQSA-N 1 0 498.044 6.583 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2nc(C)ncc2C1 ZINC000026655002 563032291 /nfs/dbraw/zinc/03/22/91/563032291.db2.gz HKBFAJQLEHSBTM-MHZLTWQESA-N 1 0 456.634 5.232 1 0 JKAFRO CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H]([NH3+])C[C@@H](Cc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000026652932 563032294 /nfs/dbraw/zinc/03/22/94/563032294.db2.gz CJSNSSCOSAUHJH-WZJMRIORSA-N 1 0 452.683 5.331 1 0 JKAFRO Oc1ccc2c(c1)S[C@H](c1ccc(F)cc1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026657061 563032542 /nfs/dbraw/zinc/03/25/42/563032542.db2.gz PXQIHYPEOSFFBY-KAYWLYCHSA-N 1 0 465.590 6.363 1 0 JKAFRO COc1ccc([C@@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026661000 563032685 /nfs/dbraw/zinc/03/26/85/563032685.db2.gz DVAHOHVVLYMDAM-NSOVKSMOSA-N 1 0 477.626 6.233 1 0 JKAFRO C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](c1cc(-c3ccccc3)no1)[C@H](c1ccc(I)cc1)C2 ZINC000026659892 563032710 /nfs/dbraw/zinc/03/27/10/563032710.db2.gz GFQOHYHCWDJLHV-SQVLJLFZSA-N 1 0 470.354 5.680 1 0 JKAFRO COc1cccc2c1CC[C@H]1[C@H]2CC[N@@H+]1CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026717779 563033672 /nfs/dbraw/zinc/03/36/72/563033672.db2.gz IZGMMZZMWKKGGX-XCZPVHLTSA-N 1 0 454.614 5.677 1 0 JKAFRO CC1CC[NH+](CCCCCC(=O)Nc2cc(CO)cc(Nc3ccnc4cc(Cl)ccc43)c2)CC1 ZINC000026719610 563033782 /nfs/dbraw/zinc/03/37/82/563033782.db2.gz DJYLVGCLAJCMBX-UHFFFAOYSA-N 1 0 495.067 6.355 1 0 JKAFRO CC1CC[NH+](CCC(=O)Nc2cc(CO)cc(Nc3ccnc4cc(Cl)ccc43)c2)CC1 ZINC000026720843 563033902 /nfs/dbraw/zinc/03/39/02/563033902.db2.gz LZCSDFKRUPKDNA-UHFFFAOYSA-N 1 0 452.986 5.185 1 0 JKAFRO [NH3+]CCn1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 ZINC000026732966 563034247 /nfs/dbraw/zinc/03/42/47/563034247.db2.gz OIKXOZGBRJFYGL-MUUNZHRXSA-N 1 0 482.584 5.627 1 0 JKAFRO COc1cccc(C[C@@H]2C[C@@H]([NH2+]Cc3ccnc4ccccc34)CCN2C(=O)c2cc(C)cc(C)c2)c1 ZINC000026830373 563036287 /nfs/dbraw/zinc/03/62/87/563036287.db2.gz NVECYGFDAQIJIV-WUFINQPMSA-N 1 0 493.651 5.866 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(Br)cc3)[C@@H](C)C2)CC1 ZINC000026993411 563038800 /nfs/dbraw/zinc/03/88/00/563038800.db2.gz RKSSDOVJRLDBOC-VXKWHMMOSA-N 1 0 498.509 5.438 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2[C@H](C)c2ccccc2)c1 ZINC000027105188 563040247 /nfs/dbraw/zinc/04/02/47/563040247.db2.gz KDLUBXVKFJCDHI-HAFIXEQPSA-N 1 0 477.652 6.418 1 0 JKAFRO COc1ccc(CCC2(O)CC[NH+](C)CC2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1 ZINC000027189478 563040962 /nfs/dbraw/zinc/04/09/62/563040962.db2.gz VSZPVDAIEVGIFE-UHFFFAOYSA-N 1 0 480.555 5.337 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCC[C@H]2COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000027188538 563040988 /nfs/dbraw/zinc/04/09/88/563040988.db2.gz SFGPVHIEGFBCSW-VWLOTQADSA-N 1 0 470.440 6.815 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCCC[C@@H]2COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000027193188 563041022 /nfs/dbraw/zinc/04/10/22/563041022.db2.gz YHNREKFHNCDZDQ-AREMUKBSSA-N 1 0 484.467 7.205 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCCC[C@H]2COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000027193192 563041084 /nfs/dbraw/zinc/04/10/84/563041084.db2.gz YHNREKFHNCDZDQ-SANMLTNESA-N 1 0 484.467 7.205 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCCC[C@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000027194735 563041126 /nfs/dbraw/zinc/04/11/26/563041126.db2.gz SJZUBSHGVSIJOL-XCZPVHLTSA-N 1 0 450.022 6.552 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCC[C@H]2COC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000027194550 563041157 /nfs/dbraw/zinc/04/11/57/563041157.db2.gz CHGLFPQMELTYND-VWLOTQADSA-N 1 0 461.602 5.526 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCC[C@H](COC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc1 ZINC000027198459 563041269 /nfs/dbraw/zinc/04/12/69/563041269.db2.gz CWTRIHXSRDUMGU-QFIPXVFZSA-N 1 0 484.467 7.063 1 0 JKAFRO COc1ccc(C[C@H]2CN3C(=[NH+]C[C@@H]3C3CCCCC3)N2[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027205248 563041604 /nfs/dbraw/zinc/04/16/04/563041604.db2.gz CZTBHIMDQIEDMY-MSWTWGCVSA-N 1 0 475.721 6.147 1 0 JKAFRO COc1ccc(CCC[N@@H+]2CCC[C@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000027207144 563041760 /nfs/dbraw/zinc/04/17/60/563041760.db2.gz UJDRPOPKIXKXMQ-XCZPVHLTSA-N 1 0 450.022 6.552 1 0 JKAFRO COc1ccc(C[C@@H]2CN3C(=[NH+]C[C@@H]3C3CCCCC3)N2[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027211850 563042117 /nfs/dbraw/zinc/04/21/17/563042117.db2.gz CZTBHIMDQIEDMY-PTVIBRAMSA-N 1 0 475.721 6.147 1 0 JKAFRO CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@@H]1CNC(=O)Cc1cccc2sccc21 ZINC000027521548 563045026 /nfs/dbraw/zinc/04/50/26/563045026.db2.gz FNFBKLDSIIFZSU-IBGZPJMESA-N 1 0 457.574 5.055 1 0 JKAFRO O[C@H](c1cc(Oc2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCC[NH2+]1 ZINC000027523334 563045217 /nfs/dbraw/zinc/04/52/17/563045217.db2.gz CNOIHTJZFNRBMB-WIYYLYMNSA-N 1 0 472.199 6.816 1 0 JKAFRO O[C@@H](c1cc(-c2cccc(C(F)(F)F)c2)nc2c1cccc2C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000027523676 563045285 /nfs/dbraw/zinc/04/52/85/563045285.db2.gz FJCHTACKGSXILE-NQIIRXRSSA-N 1 0 454.414 6.115 1 0 JKAFRO NC(=[NH2+])Nc1ccc(N2c3ccccc3C(c3ccccc3)=N[C@H](Cc3ccccc3)C2=O)cc1 ZINC000027524752 563045347 /nfs/dbraw/zinc/04/53/47/563045347.db2.gz UGTKYHWANOEDAW-RUZDIDTESA-N 1 0 459.553 5.119 1 0 JKAFRO C[C@@H](CN1CCC([NH+](C)C)CC1)c1c2ccccc2sc1COc1ccc(Cl)cc1Cl ZINC000027526057 563045548 /nfs/dbraw/zinc/04/55/48/563045548.db2.gz VCNDHWSJWTZENG-KRWDZBQOSA-N 1 0 477.501 6.917 1 0 JKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2COc2ccc(C(F)(F)F)cc2)CC1 ZINC000027526662 563045681 /nfs/dbraw/zinc/04/56/81/563045681.db2.gz UHRYHSTVRPWBMU-UHFFFAOYSA-N 1 0 462.581 6.068 1 0 JKAFRO Cc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC([NH+](C)C)CC1 ZINC000027547044 563045765 /nfs/dbraw/zinc/04/57/65/563045765.db2.gz VIVUAJAVSCRXCV-UHFFFAOYSA-N 1 0 487.507 6.120 1 0 JKAFRO Brc1ccccc1CO[C@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000027547751 563045815 /nfs/dbraw/zinc/04/58/15/563045815.db2.gz UNKSVANIANTVBC-SVBPBHIXSA-N 1 0 462.431 6.261 1 0 JKAFRO CO[C@H](c1sc2ccccc2c1CCN1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000027548726 563045912 /nfs/dbraw/zinc/04/59/12/563045912.db2.gz LJDAALZDONFJEB-DEOSSOPVSA-N 1 0 477.501 6.512 1 0 JKAFRO CC[NH+](CC)CCCCCCCCCCCCNc1ccnc2cc(Br)ccc21 ZINC000027552383 563046108 /nfs/dbraw/zinc/04/61/08/563046108.db2.gz DJBUQUWFCUWJGE-UHFFFAOYSA-N 1 0 462.520 7.652 1 0 JKAFRO O=C(c1ccc(F)cc1)C1CC[NH+](CCS[C@@H]2Cc3ccccc3Oc3ccccc32)CC1 ZINC000027554729 563046295 /nfs/dbraw/zinc/04/62/95/563046295.db2.gz DGQLJIIOAAELJV-HHHXNRCGSA-N 1 0 461.602 6.543 1 0 JKAFRO COc1ccc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCCc2ccc(O)cc2)cc1OC ZINC000027556764 563046427 /nfs/dbraw/zinc/04/64/27/563046427.db2.gz YJIXJHWVPBGUHS-UHFFFAOYSA-N 1 0 458.602 6.103 1 0 JKAFRO C[C@@H]1C[N@H+](C[C@H](Cc2ccccc2)NC(=O)CCc2ccc(O)cc2)CC[C@@]1(C)c1cccc(O)c1 ZINC000027560977 563046799 /nfs/dbraw/zinc/04/67/99/563046799.db2.gz SMGWBMWVMICQEZ-JCNBKPKMSA-N 1 0 486.656 5.058 1 0 JKAFRO CC/C(=C\c1cccnc1)C(=O)NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027649486 563048502 /nfs/dbraw/zinc/04/85/02/563048502.db2.gz WTBGOQXBRKIZQW-SOYKGTTHSA-N 1 0 482.672 5.179 1 0 JKAFRO CN(C)c1ccc(CC(=O)NCCCCCCCCC[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027652824 563048807 /nfs/dbraw/zinc/04/88/07/563048807.db2.gz NUOLLRFKTADURI-UHFFFAOYSA-N 1 0 453.715 5.700 1 0 JKAFRO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(CCCCNC(=O)/C=C/c3cccnc3)CC2)cc1C ZINC000027655175 563049011 /nfs/dbraw/zinc/04/90/11/563049011.db2.gz LZVYXXLTWLMUDK-CRWMHBFFSA-N 1 0 482.672 5.015 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)=C2c1ccccc1OCC[NH+]1CCCC1 ZINC000027655186 563049015 /nfs/dbraw/zinc/04/90/15/563049015.db2.gz VFBLIZGMNCRFPR-UHFFFAOYSA-N 1 0 455.598 6.300 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccc(OCC[NH+]3CCCC3)cc1)[C@H]2c1ccccc1 ZINC000027654641 563049028 /nfs/dbraw/zinc/04/90/28/563049028.db2.gz RFZHECCLLAJHFT-VMPREFPWSA-N 1 0 457.614 6.257 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@H]2c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000027656121 563049119 /nfs/dbraw/zinc/04/91/19/563049119.db2.gz LLVVLLGAUGKPHK-KYJUHHDHSA-N 1 0 471.641 6.647 1 0 JKAFRO O=C1NCN(c2ccccc2)C12CC[NH+](CCCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000027657146 563049372 /nfs/dbraw/zinc/04/93/72/563049372.db2.gz IIKVMCQDVHFQPQ-UHFFFAOYSA-N 1 0 490.598 5.312 1 0 JKAFRO CCCc1ccc(/C=C/C(=O)NCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027705962 563049500 /nfs/dbraw/zinc/04/95/00/563049500.db2.gz VQFGVWSBUVXXIL-HTXNQAPBSA-N 1 0 496.699 5.351 1 0 JKAFRO NC(=[NH2+])SCCCn1c2ccccc2c(C2=CC(=O)NC2=O)c1-c1ccc(-c2ccccc2)cc1 ZINC000027757579 563051404 /nfs/dbraw/zinc/05/14/04/563051404.db2.gz UUCJUCRTIKZRFG-UHFFFAOYSA-N 1 0 480.593 5.032 1 0 JKAFRO COCc1cccc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027761430 563051466 /nfs/dbraw/zinc/05/14/66/563051466.db2.gz AINCYLVTIGPAPX-ZCYQVOJMSA-N 1 0 461.433 5.293 1 0 JKAFRO O=C(NN1CC=C(c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000027768721 563051648 /nfs/dbraw/zinc/05/16/48/563051648.db2.gz SVQOMEYUUQCQRA-UHFFFAOYSA-N 1 0 472.677 5.143 1 0 JKAFRO CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1Cl)[C@@H]1CCCC[C@H]1[NH+]1CCCCCCC1 ZINC000027899515 563053187 /nfs/dbraw/zinc/05/31/87/563053187.db2.gz UMIVHOMETMYQEH-IAGOWNOFSA-N 1 0 496.306 6.715 1 0 JKAFRO COC(=O)c1ccc(-c2sc3ccccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000027995903 563054084 /nfs/dbraw/zinc/05/40/84/563054084.db2.gz GIOLPVIWGJMJPF-UHFFFAOYSA-N 1 0 499.632 6.451 1 0 JKAFRO [NH2+]=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000028020864 563055237 /nfs/dbraw/zinc/05/52/37/563055237.db2.gz GLRQVFXONJDZOI-HSZRJFAPSA-N 1 0 489.501 6.356 1 0 JKAFRO c1csc(-c2ccc(-c3nc4c(ncnc4N4C[C@H]5CC[N@@H+](Cc6ccccc6)[C@@H]5C4)o3)cc2)c1 ZINC000028022194 563055308 /nfs/dbraw/zinc/05/53/08/563055308.db2.gz AJJBZXSWSSKGGK-DHIUTWEWSA-N 1 0 479.609 5.724 1 0 JKAFRO c1csc(-c2ccc(-c3nc4c(ncnc4N4C[C@H]5CC[N@@H+](Cc6ccccc6)[C@H]5C4)o3)cc2)c1 ZINC000028022199 563055312 /nfs/dbraw/zinc/05/53/12/563055312.db2.gz AJJBZXSWSSKGGK-PKTZIBPZSA-N 1 0 479.609 5.724 1 0 JKAFRO Clc1ccc([C@@H]2C[C@@H]([NH+]3CCN(C/C=C/c4ccccc4)CC3)c3ccccc32)cc1Cl ZINC000028087227 563055492 /nfs/dbraw/zinc/05/54/92/563055492.db2.gz CQHFAVPNRLFXIP-JTNSYBLNSA-N 1 0 463.452 6.901 1 0 JKAFRO CC[N@H+](C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028094757 563055777 /nfs/dbraw/zinc/05/57/77/563055777.db2.gz YUKVIEGEWGDWPM-UHFFFAOYSA-N 1 0 457.361 5.345 1 0 JKAFRO O=C(NC[C@@H](CC[NH2+]C1CCCC1)c1ccc(-c2ccncc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028104204 563056252 /nfs/dbraw/zinc/05/62/52/563056252.db2.gz DSLNFLKDENEFBK-JOCHJYFZSA-N 1 0 497.470 6.883 1 0 JKAFRO O=C(NC[C@H](CC[NH2+]C1CCCC1)c1ccc(-c2cccnc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028112956 563056499 /nfs/dbraw/zinc/05/64/99/563056499.db2.gz HASYELTZODRLEM-QFIPXVFZSA-N 1 0 497.470 6.883 1 0 JKAFRO Nc1nc(-c2cccc(C[NH+]3CCC(c4ccccc4)CC3)c2)cc2nc(-c3ccco3)nn21 ZINC000028114547 563056562 /nfs/dbraw/zinc/05/65/62/563056562.db2.gz OXCGBGAXZMUJSK-UHFFFAOYSA-N 1 0 450.546 5.013 1 0 JKAFRO C[N@H+](CCCc1ccccc1)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000028123149 563056917 /nfs/dbraw/zinc/05/69/17/563056917.db2.gz FMIDMTMUTLQHNN-JGCGQSQUSA-N 1 0 489.663 6.749 1 0 JKAFRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000028123714 563056931 /nfs/dbraw/zinc/05/69/31/563056931.db2.gz SCTNRJAHTZFGPS-SSEXGKCCSA-N 1 0 461.609 6.317 1 0 JKAFRO FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1C[NH2+]CCc1ccccc1 ZINC000028129922 563057251 /nfs/dbraw/zinc/05/72/51/563057251.db2.gz FIVFVLGWZIHRKE-UHFFFAOYSA-N 1 0 480.770 7.198 1 0 JKAFRO O=C(c1ccc2ncccc2c1)N1CCC([NH+]2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000028131010 563057303 /nfs/dbraw/zinc/05/73/03/563057303.db2.gz JIVMLAUZOHRZPP-UHFFFAOYSA-N 1 0 482.455 6.101 1 0 JKAFRO O=C(c1cccc2[nH]ccc21)N1CCC([NH+]2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000028131373 563057345 /nfs/dbraw/zinc/05/73/45/563057345.db2.gz NGGMBNXWWMYHCB-UHFFFAOYSA-N 1 0 470.444 6.034 1 0 JKAFRO Cc1ccccc1CC(=O)N1CCC([NH+]2CCC(Cc3ccc(Br)cc3)CC2)CC1 ZINC000028130754 563057359 /nfs/dbraw/zinc/05/73/59/563057359.db2.gz GYVMZRRXTBAOSI-UHFFFAOYSA-N 1 0 469.467 5.246 1 0 JKAFRO Cc1ccccc1CC(=O)N1CCC([NH+]2CCC(Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000028132023 563057416 /nfs/dbraw/zinc/05/74/16/563057416.db2.gz IYJSUGZACNXSGX-UHFFFAOYSA-N 1 0 459.461 5.790 1 0 JKAFRO C[C@@H](C[NH+]1CCCC1)Oc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1 ZINC000028135407 563057618 /nfs/dbraw/zinc/05/76/18/563057618.db2.gz TXYRLWYXGWLWIJ-RHLLTPQKSA-N 1 0 463.599 5.928 1 0 JKAFRO CCC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CCC1 ZINC000028138112 563057744 /nfs/dbraw/zinc/05/77/44/563057744.db2.gz GQWFZZSWERZBCA-UHFFFAOYSA-N 1 0 486.818 7.878 1 0 JKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCCOCc1ccccc1 ZINC000028218029 563057786 /nfs/dbraw/zinc/05/77/86/563057786.db2.gz AAKOACKLHIJRAN-HSZRJFAPSA-N 1 0 479.665 6.247 1 0 JKAFRO Cn1c2cc[nH+]cc2c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c1-c1ccc(Cl)cc1 ZINC000028237240 563058498 /nfs/dbraw/zinc/05/84/98/563058498.db2.gz AMKINZCRNCDIPJ-UHFFFAOYSA-N 1 0 488.031 5.423 1 0 JKAFRO O=C1/C(=C/c2ccc(Cl)cc2)c2ccccc2N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000028236033 563058522 /nfs/dbraw/zinc/05/85/22/563058522.db2.gz FPIITTSILJWFFP-LGUFXXKBSA-N 1 0 492.450 6.093 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(-c3ccccc3C[NH3+])cc2F)n(-c2cc3ccccc3cc2F)n1 ZINC000028235828 563058533 /nfs/dbraw/zinc/05/85/33/563058533.db2.gz YXSYVMVOVUKREN-UHFFFAOYSA-N 1 0 468.507 5.990 1 0 JKAFRO O=C1/C(=C\c2cccs2)c2ccccc2N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000028239241 563058670 /nfs/dbraw/zinc/05/86/70/563058670.db2.gz AFHGICYMZHHOKC-CLCOLTQESA-N 1 0 464.034 5.501 1 0 JKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccsc3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028243964 563058784 /nfs/dbraw/zinc/05/87/84/563058784.db2.gz XFUQSWMVELPEBU-JXMROGBWSA-N 1 0 485.653 5.368 1 0 JKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc21 ZINC000028245417 563058819 /nfs/dbraw/zinc/05/88/19/563058819.db2.gz XQGXCFPHZVHVIS-NWJSYXBLSA-N 1 0 479.624 5.307 1 0 JKAFRO CC(=O)n1ccc2ccc(N(C(=O)/C=C/c3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028245369 563058840 /nfs/dbraw/zinc/05/88/40/563058840.db2.gz DRTNSYSYEJTROM-NTCAYCPXSA-N 1 0 477.608 6.012 1 0 JKAFRO CC(=O)N1CCc2ccc(N(C(=O)C/C=C/c3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028244851 563058856 /nfs/dbraw/zinc/05/88/56/563058856.db2.gz LOQNZFLQNQMESQ-MDWZMJQESA-N 1 0 493.651 5.697 1 0 JKAFRO O=C(c1nccc2ccccc21)N1CCC([NH+]2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000028330468 563059527 /nfs/dbraw/zinc/05/95/27/563059527.db2.gz VSBDCHHRACGZFL-UHFFFAOYSA-N 1 0 482.455 6.101 1 0 JKAFRO Cc1ccccc1CC(=O)N1CCC([NH+]2CCC(Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000028331312 563059595 /nfs/dbraw/zinc/05/95/95/563059595.db2.gz DFMBOSJDTBSFPP-UHFFFAOYSA-N 1 0 459.461 5.790 1 0 JKAFRO CSc1ccc(CC(=O)N(C)C2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028342712 563060570 /nfs/dbraw/zinc/06/05/70/563060570.db2.gz MZZDXMGTWNXCBS-UHFFFAOYSA-N 1 0 472.698 6.096 1 0 JKAFRO Cc1ccc(Cl)c(O[C@H](c2ccccc2)[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000028347736 563060835 /nfs/dbraw/zinc/06/08/35/563060835.db2.gz DDUYHDSZXXYGIS-XNMGPUDCSA-N 1 0 492.019 5.110 1 0 JKAFRO Cc1ccc(Cl)c(O[C@@H](c2ccccc2)[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000028347743 563060846 /nfs/dbraw/zinc/06/08/46/563060846.db2.gz DDUYHDSZXXYGIS-VPUSJEBWSA-N 1 0 492.019 5.110 1 0 JKAFRO CN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028348312 563060916 /nfs/dbraw/zinc/06/09/16/563060916.db2.gz CQIKMWIKOZJEIR-UHFFFAOYSA-N 1 0 494.601 6.393 1 0 JKAFRO CC(C)[C@H]1CC[N@H+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1 ZINC000028348737 563060918 /nfs/dbraw/zinc/06/09/18/563060918.db2.gz YMMHAHMATMOTRF-PWUSVURUSA-N 1 0 491.653 6.422 1 0 JKAFRO CCN(C(=O)N[C@H](C)c1ccccc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028350297 563060983 /nfs/dbraw/zinc/06/09/83/563060983.db2.gz YCMJGYHFHDNSFN-RUZDIDTESA-N 1 0 469.673 6.466 1 0 JKAFRO CN(C(=O)Cc1ccc(Cl)cc1Cl)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028352592 563061252 /nfs/dbraw/zinc/06/12/52/563061252.db2.gz WXCCCZGVJYPGEP-UHFFFAOYSA-N 1 0 495.494 6.681 1 0 JKAFRO CC1(C)CCC[N@@H+]1CCOc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1 ZINC000028353225 563061272 /nfs/dbraw/zinc/06/12/72/563061272.db2.gz ZFDWXHMWRIPYFL-RRPNLBNLSA-N 1 0 477.626 6.318 1 0 JKAFRO CC[C@@H]1CC[N@H+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1 ZINC000028352928 563061283 /nfs/dbraw/zinc/06/12/83/563061283.db2.gz MYPYUWTXZVADBB-KHWNGSORSA-N 1 0 477.626 6.176 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCC(F)CC3)cc2)cc1 ZINC000028358207 563061544 /nfs/dbraw/zinc/06/15/44/563061544.db2.gz DZOIXKJZJFFSGR-RRPNLBNLSA-N 1 0 481.589 5.878 1 0 JKAFRO Clc1ccc(CNc2nc(NCc3ccc(Cl)cc3)[nH+]c(NCc3ccc(Cl)cc3)n2)cc1 ZINC000028364943 563061935 /nfs/dbraw/zinc/06/19/35/563061935.db2.gz HUHYRYQCDTXNLT-UHFFFAOYSA-N 1 0 499.833 6.668 1 0 JKAFRO CN(C)c1cccc(N2CCc3cc(O)ccc3[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000028365898 563062034 /nfs/dbraw/zinc/06/20/34/563062034.db2.gz DBALQCXJSKOKLW-PMERELPUSA-N 1 0 471.645 5.475 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@@H](c2ccc([C@H](O)CC[NH+]3CCCCC3)cc2)c2cc(O)ccc2C1 ZINC000028375581 563062550 /nfs/dbraw/zinc/06/25/50/563062550.db2.gz XMVZTBZRGWZAOZ-UHSQPCAPSA-N 1 0 485.649 6.306 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[N@@H+]3C[C@@H]4CCC[C@@H]4C3)cc2)cc1 ZINC000028381954 563062896 /nfs/dbraw/zinc/06/28/96/563062896.db2.gz BGIIEAJTIOAKIR-IVBVTWBMSA-N 1 0 489.637 6.176 1 0 JKAFRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000028383332 563063137 /nfs/dbraw/zinc/06/31/37/563063137.db2.gz BDHRZQVWBCYFMN-UHFFFAOYSA-N 1 0 476.577 5.203 1 0 JKAFRO FC(F)(F)c1ccc(CN2CCC[N@H+](CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028387952 563063357 /nfs/dbraw/zinc/06/33/57/563063357.db2.gz PFOMPYXQVWMMIV-UHFFFAOYSA-N 1 0 452.564 6.435 1 0 JKAFRO COc1cc(OC)cc(-c2nc(-c3ccc(Cl)cc3Cl)c(C[NH+](C)C)c(N(C)C)n2)c1 ZINC000028391626 563063569 /nfs/dbraw/zinc/06/35/69/563063569.db2.gz OQKGVLXLPHVTBK-UHFFFAOYSA-N 1 0 461.393 5.262 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccc(NC(C)=O)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028455263 563063951 /nfs/dbraw/zinc/06/39/51/563063951.db2.gz LIOYNOOYVXTCGU-HNRBIFIRSA-N 1 0 483.612 5.617 1 0 JKAFRO COC(=O)C(CC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000028455558 563064017 /nfs/dbraw/zinc/06/40/17/563064017.db2.gz NVAROXIKIBRSFM-UHFFFAOYSA-N 1 0 464.005 5.173 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccc(O)c(OC)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028456606 563064140 /nfs/dbraw/zinc/06/41/40/563064140.db2.gz IZVFRMTZUWNHOR-PLQXJYEYSA-N 1 0 472.585 5.372 1 0 JKAFRO CC[N@H+](Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000028461788 563064626 /nfs/dbraw/zinc/06/46/26/563064626.db2.gz VBFNKFZOPQIHEM-UHFFFAOYSA-N 1 0 490.573 7.244 1 0 JKAFRO [NH3+]CCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1 ZINC000028462265 563064718 /nfs/dbraw/zinc/06/47/18/563064718.db2.gz NTRJRVNTUUCVPQ-UHFFFAOYSA-N 1 0 460.582 5.187 1 0 JKAFRO COc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000028469855 563065287 /nfs/dbraw/zinc/06/52/87/563065287.db2.gz NWCZSBYBGHIZGJ-FQEVSTJZSA-N 1 0 490.475 5.108 1 0 JKAFRO CSc1ccc(-c2cc(-c3ccncc3)nc(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000028472702 563065602 /nfs/dbraw/zinc/06/56/02/563065602.db2.gz GGVOBEGAUGUADF-UHFFFAOYSA-N 1 0 453.615 5.250 1 0 JKAFRO CC(C)(C)c1ccc([C@H](CNC(=O)Nc2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028520509 563066238 /nfs/dbraw/zinc/06/62/38/563066238.db2.gz PJVDPUISQGQTMX-MHZLTWQESA-N 1 0 480.672 5.936 1 0 JKAFRO O=C(NC[C@H](c1ccccc1)N1CC[NH+](C2CCCCC2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000028523045 563066725 /nfs/dbraw/zinc/06/67/25/563066725.db2.gz BCSKODLJXCHOJX-XMMPIXPASA-N 1 0 474.571 5.519 1 0 JKAFRO O=C(Nc1ccc2[nH]ccc2c1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H](Cc2ccc(F)cc2)C1 ZINC000028523574 563066885 /nfs/dbraw/zinc/06/68/85/563066885.db2.gz YHFFIZVSOADVRF-MRCUYLHHSA-N 1 0 462.613 5.942 1 0 JKAFRO COc1cc2c(cc1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)N(C(=O)c1ccc(-c3ccccc3C)cc1)CC2 ZINC000028524692 563067228 /nfs/dbraw/zinc/06/72/28/563067228.db2.gz LISCDVLHPJIZGO-SZPZYZBQSA-N 1 0 469.629 5.402 1 0 JKAFRO O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000028524795 563067303 /nfs/dbraw/zinc/06/73/03/563067303.db2.gz RWSJDUPAZKQTGV-UHFFFAOYSA-N 1 0 455.562 5.355 1 0 JKAFRO O=C(NCc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000028525283 563067586 /nfs/dbraw/zinc/06/75/86/563067586.db2.gz STSGJULYNQJUDO-UHFFFAOYSA-N 1 0 455.562 5.246 1 0 JKAFRO O[C@@H](COCc1ccco1)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028525916 563067747 /nfs/dbraw/zinc/06/77/47/563067747.db2.gz VSUZTXVBVZBVPK-XMMPIXPASA-N 1 0 475.564 5.233 1 0 JKAFRO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028527445 563068116 /nfs/dbraw/zinc/06/81/16/563068116.db2.gz YZNXPVWXOPQROK-QHCPKHFHSA-N 1 0 451.586 5.238 1 0 JKAFRO O[C@@H](Cc1ccccc1)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028527815 563068202 /nfs/dbraw/zinc/06/82/02/563068202.db2.gz JHUBTAKOHPGTET-SANMLTNESA-N 1 0 455.577 5.666 1 0 JKAFRO O[C@H](COc1ccccc1)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028528883 563068324 /nfs/dbraw/zinc/06/83/24/563068324.db2.gz KBKJJYJMBAVLQO-VWLOTQADSA-N 1 0 471.576 5.502 1 0 JKAFRO O[C@@H](COc1ccccc1)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028528882 563068332 /nfs/dbraw/zinc/06/83/32/563068332.db2.gz KBKJJYJMBAVLQO-RUZDIDTESA-N 1 0 471.576 5.502 1 0 JKAFRO Clc1ccc2c(c1)c(NC1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)nn2Cc1ccccc1 ZINC000028529521 563068423 /nfs/dbraw/zinc/06/84/23/563068423.db2.gz AGQMIBYVMCNPQS-UHFFFAOYSA-N 1 0 474.992 5.543 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OC[C@H](C)[NH+]3CCCC3)cc2)c1-c1ccc(O)cc1 ZINC000028530428 563068776 /nfs/dbraw/zinc/06/87/76/563068776.db2.gz UXVJUMKPIQCRPX-FQEVSTJZSA-N 1 0 456.586 5.939 1 0 JKAFRO O=S(=O)(Nc1cccc(Oc2ccccc2)c1)N1CCC([NH2+]Cc2cccc3ccccc32)CC1 ZINC000028563069 563068984 /nfs/dbraw/zinc/06/89/84/563068984.db2.gz IKZCRAVCBZNFGI-UHFFFAOYSA-N 1 0 487.625 5.543 1 0 JKAFRO C[NH+](C)C1CCN(C(=O)c2ccc(Nc3nccc(-c4cc5ccccc5s4)n3)cc2)CC1 ZINC000028563866 563069035 /nfs/dbraw/zinc/06/90/35/563069035.db2.gz ALNKZWZEELZRCE-UHFFFAOYSA-N 1 0 457.603 5.268 1 0 JKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(-c2ccc(O)cc2)cc(-c2cc(OC)ccc2OC)n1 ZINC000028565008 563069276 /nfs/dbraw/zinc/06/92/76/563069276.db2.gz YPJNAQIHVIVPIW-LJQANCHMSA-N 1 0 464.610 5.456 1 0 JKAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)[C@@H]1Cc2ccccc2N1c1ccccc1 ZINC000028569043 563070188 /nfs/dbraw/zinc/07/01/88/563070188.db2.gz PWRGGYSBTFYLQT-LJAQVGFWSA-N 1 0 465.641 5.236 1 0 JKAFRO Brc1cc(CN2CCCCC2)cc(Br)c1OCCC[NH+]1CCCCC1 ZINC000028568900 563070232 /nfs/dbraw/zinc/07/02/32/563070232.db2.gz LHICIPDDOYLSSA-UHFFFAOYSA-N 1 0 474.281 5.452 1 0 JKAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)[C@H](Cc1ccccc1)c1ccccc1 ZINC000028569145 563070283 /nfs/dbraw/zinc/07/02/83/563070283.db2.gz LOKISLAKLXIIOW-MUUNZHRXSA-N 1 0 452.642 5.499 1 0 JKAFRO O=C(CCc1ccccc1)c1ccccc1OCCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000028634856 563071799 /nfs/dbraw/zinc/07/17/99/563071799.db2.gz WJYNUACBELMVND-UHFFFAOYSA-N 1 0 460.593 5.622 1 0 JKAFRO O=C(CCc1ccccc1)c1ccc(OC[C@@H](O)C[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000028636845 563071902 /nfs/dbraw/zinc/07/19/02/563071902.db2.gz KCGHIRCECWCQOC-PMERELPUSA-N 1 0 493.647 6.054 1 0 JKAFRO O=C(C[NH2+]CCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000028641181 563072358 /nfs/dbraw/zinc/07/23/58/563072358.db2.gz FVCTVZAGIWTLTB-UHFFFAOYSA-N 1 0 462.637 6.137 1 0 JKAFRO O=C(CCCC[NH+]1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Nc1ccccc1Cl ZINC000028646898 563073458 /nfs/dbraw/zinc/07/34/58/563073458.db2.gz IWYHXBPUSLWDQN-UHFFFAOYSA-N 1 0 454.829 5.573 1 0 JKAFRO O=C(Nc1ccc(F)c(Cl)c1)N(CC[NH+]1CCCC1)[C@@H]1CC=C(c2cc3ccccc3o2)CC1 ZINC000028650246 563073720 /nfs/dbraw/zinc/07/37/20/563073720.db2.gz AQGJEMXORVBGAH-JOCHJYFZSA-N 1 0 481.999 6.791 1 0 JKAFRO O=Cc1ccc(C2=CC[C@H](N(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)o1 ZINC000028650231 563073801 /nfs/dbraw/zinc/07/38/01/563073801.db2.gz YHIPIFFZCVVRPO-IBGZPJMESA-N 1 0 459.949 5.450 1 0 JKAFRO O=C(Nc1ccc(F)cc1)OCCCC[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1 ZINC000028650676 563073868 /nfs/dbraw/zinc/07/38/68/563073868.db2.gz WLJQCKZUHRFXBV-UHFFFAOYSA-N 1 0 476.592 6.425 1 0 JKAFRO O=C(Nc1ccc(Cl)cc1)OCCCC[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1 ZINC000028650672 563073871 /nfs/dbraw/zinc/07/38/71/563073871.db2.gz GAGXMDYTZIENSW-UHFFFAOYSA-N 1 0 493.047 6.939 1 0 JKAFRO C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000028702490 563074609 /nfs/dbraw/zinc/07/46/09/563074609.db2.gz CQVZQGJMJODCOE-WOJBJXKFSA-N 1 0 477.823 5.760 1 0 JKAFRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000028702486 563074623 /nfs/dbraw/zinc/07/46/23/563074623.db2.gz PLEKLOVYPVBULM-RTBURBONSA-N 1 0 463.796 5.499 1 0 JKAFRO CC(=O)Nc1cc(-c2c(C)cccc2C)cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc21 ZINC000028702888 563074731 /nfs/dbraw/zinc/07/47/31/563074731.db2.gz BCAHGWFHBBMPHP-UHFFFAOYSA-N 1 0 496.615 5.485 1 0 JKAFRO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(OC[C@H](C)[NH+]4CCN(C)CC4)c3)nnc2c1 ZINC000028702863 563074796 /nfs/dbraw/zinc/07/47/96/563074796.db2.gz RUSDJHGJLODJFG-QHCPKHFHSA-N 1 0 496.659 5.375 1 0 JKAFRO Cc1ccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccnc(-c4ccc(C)cc4)c3)ccn2)cc1 ZINC000028707564 563075643 /nfs/dbraw/zinc/07/56/43/563075643.db2.gz DBYWSWLBTWJRIT-RNPORBBMSA-N 1 0 474.652 6.276 1 0 JKAFRO COc1ccc(Oc2ccc(C[NH+]3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)cc2)cc1 ZINC000028710586 563076180 /nfs/dbraw/zinc/07/61/80/563076180.db2.gz RBVKMXSYCQGAEL-UHFFFAOYSA-N 1 0 458.602 6.462 1 0 JKAFRO Cc1ccc(C2CC[NH+](Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)cc1NC(=O)C(C)C ZINC000028710590 563076238 /nfs/dbraw/zinc/07/62/38/563076238.db2.gz ZYUVYNFTIYISBW-UHFFFAOYSA-N 1 0 478.583 7.040 1 0 JKAFRO O=C(NC[C@H]1C[C@H]1C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1 ZINC000028711348 563076414 /nfs/dbraw/zinc/07/64/14/563076414.db2.gz KRMPDMJUDCQCAJ-YADHBBJMSA-N 1 0 495.454 5.244 1 0 JKAFRO NC(=[NH2+])Nc1ccc(N2c3ccccc3C(C3CCCCC3)=NN(Cc3ccccc3)C2=O)cc1 ZINC000028711855 563076555 /nfs/dbraw/zinc/07/65/55/563076555.db2.gz GNLCKCYGLKJNPB-UHFFFAOYSA-N 1 0 466.589 6.050 1 0 JKAFRO Cc1ccc2c(c1)N(c1ccc(NC(N)=[NH2+])cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 ZINC000028711873 563076575 /nfs/dbraw/zinc/07/65/75/563076575.db2.gz DIMXGQBKBGOKPH-UHFFFAOYSA-N 1 0 480.616 6.359 1 0 JKAFRO CC[N@@H+]1CCC=C(Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2C)C1 ZINC000028711931 563076661 /nfs/dbraw/zinc/07/66/61/563076661.db2.gz ZFIGUEXPUFIAPG-UHFFFAOYSA-N 1 0 470.016 6.344 1 0 JKAFRO Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000028711914 563076709 /nfs/dbraw/zinc/07/67/09/563076709.db2.gz DZKYPGWZOFNJJM-JOCHJYFZSA-N 1 0 486.059 6.813 1 0 JKAFRO Cc1cnc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4cc5ccccc5[nH]4)n2C)CC3)o1 ZINC000028712460 563076982 /nfs/dbraw/zinc/07/69/82/563076982.db2.gz ANYPUOSSIOCSJC-UHFFFAOYSA-N 1 0 498.656 5.510 1 0 JKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4cccc(F)c4)n2C)CC3)no1 ZINC000028712476 563077069 /nfs/dbraw/zinc/07/70/69/563077069.db2.gz XSBNGDJHMKLOOQ-UHFFFAOYSA-N 1 0 477.609 5.168 1 0 JKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4ccc(C)cc4)n2C)CC3)no1 ZINC000028712467 563077071 /nfs/dbraw/zinc/07/70/71/563077071.db2.gz YGDMWGYWZVBWDP-UHFFFAOYSA-N 1 0 473.646 5.337 1 0 JKAFRO COc1cccc(-c2nnc(SCCC[N@@H+]3CCc4ccc(-c5cc(C)on5)cc4CC3)n2C)c1 ZINC000028712496 563077074 /nfs/dbraw/zinc/07/70/74/563077074.db2.gz CNYTYKJCKVUZFG-UHFFFAOYSA-N 1 0 489.645 5.037 1 0 JKAFRO COc1ccc2c(c1)OCC(c1ccc(Cl)cc1)=C2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000028762172 563078277 /nfs/dbraw/zinc/07/82/77/563078277.db2.gz MACWKVKGRRKIKC-UHFFFAOYSA-N 1 0 461.989 6.175 1 0 JKAFRO CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000028764156 563078445 /nfs/dbraw/zinc/07/84/45/563078445.db2.gz QXAWSSWYWHHUAE-DICHSLLOSA-N 1 0 495.711 5.681 1 0 JKAFRO CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000028764160 563078460 /nfs/dbraw/zinc/07/84/60/563078460.db2.gz QXAWSSWYWHHUAE-IEWVHIKDSA-N 1 0 495.711 5.681 1 0 JKAFRO C[C@H]1c2cccc3c2N(CC3)c2ccccc2N1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000028770234 563079088 /nfs/dbraw/zinc/07/90/88/563079088.db2.gz ALSUAKUAAVZZBP-QFIPXVFZSA-N 1 0 452.602 5.001 1 0 JKAFRO CC(C)=CCCC(C)=CCCC(C)=CC[n+]1cn(C)c2[nH]cnc(=NOCc3ccccc3)c21 ZINC000028816419 563079568 /nfs/dbraw/zinc/07/95/68/563079568.db2.gz KCNYROAQUOZTNJ-QFORADDISA-N 1 0 460.646 6.219 1 0 JKAFRO CON=c1nc[nH]c2c1[n+](CC=C(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)cn2C ZINC000028816600 563079583 /nfs/dbraw/zinc/07/95/83/563079583.db2.gz SQXSPUFOXVOKCO-NMHVKZKSSA-N 1 0 458.715 6.615 1 0 JKAFRO CC[NH+](CC)CCC[C@H](C)Nc1nc2nc[nH]c2c(NCc2ccc(Cl)cc2Cl)n1 ZINC000028817829 563079933 /nfs/dbraw/zinc/07/99/33/563079933.db2.gz JRDYRBDZJPIRTQ-AWEZNQCLSA-N 1 0 450.418 5.194 1 0 JKAFRO COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCC[NH+]1CCC(C)(C)CC1 ZINC000028819857 563080483 /nfs/dbraw/zinc/08/04/83/563080483.db2.gz ZSLPFNBEXNZBAZ-UHFFFAOYSA-N 1 0 463.405 5.663 1 0 JKAFRO COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000028819848 563080499 /nfs/dbraw/zinc/08/04/99/563080499.db2.gz CUWRBQDVHWDJCB-IYBDPMFKSA-N 1 0 463.405 5.804 1 0 JKAFRO CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OCCC[NH3+])c1 ZINC000028825256 563082168 /nfs/dbraw/zinc/08/21/68/563082168.db2.gz GUTMPWYIVMOVSR-UHFFFAOYSA-N 1 0 480.996 5.265 1 0 JKAFRO [NH3+][C@@H]1CCC[C@@H](N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000028826307 563082441 /nfs/dbraw/zinc/08/24/41/563082441.db2.gz NSMZJUKYUMIAJD-RYEVUSRASA-N 1 0 450.026 5.869 1 0 JKAFRO [NH3+][C@@H]1CCC[C@H](N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000028826309 563082447 /nfs/dbraw/zinc/08/24/47/563082447.db2.gz NSMZJUKYUMIAJD-CXIHKCPXSA-N 1 0 450.026 5.869 1 0 JKAFRO O[C@@H]1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)[NH+]2CCC1CC2 ZINC000028826462 563082530 /nfs/dbraw/zinc/08/25/30/563082530.db2.gz WZWHOZHYDWXXKM-KIJDSKARSA-N 1 0 457.799 5.533 1 0 JKAFRO CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(Oc4nc(CN5CCCCC5)cs4)ccc32)cc1 ZINC000028827088 563082830 /nfs/dbraw/zinc/08/28/30/563082830.db2.gz ISCCKNOQYHJXGM-VWLOTQADSA-N 1 0 465.688 6.221 1 0 JKAFRO CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4ncc(CN5CCCCC5)s4)ccc32)cc1 ZINC000028827093 563082920 /nfs/dbraw/zinc/08/29/20/563082920.db2.gz OIWLTELSYHQZCA-RUZDIDTESA-N 1 0 465.688 6.221 1 0 JKAFRO COc1cc(C[NH+]2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)c(OC)c2ccccc12 ZINC000028861876 563083188 /nfs/dbraw/zinc/08/31/88/563083188.db2.gz YZEXLDBEKIFCPK-UHFFFAOYSA-N 1 0 460.618 5.549 1 0 JKAFRO O=C(CN1CCCC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863315 563083402 /nfs/dbraw/zinc/08/34/02/563083402.db2.gz DMYCELBWAKQYGG-KVSLOUQESA-N 1 0 472.673 5.600 1 0 JKAFRO O=C(NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cc2ccccc2s1 ZINC000028869742 563083959 /nfs/dbraw/zinc/08/39/59/563083959.db2.gz UJSHEWCIOJAMMI-UHFFFAOYSA-N 1 0 483.681 5.819 1 0 JKAFRO O=C(NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000028869735 563083985 /nfs/dbraw/zinc/08/39/85/563083985.db2.gz DQNYAPGMAYPLKE-UHFFFAOYSA-N 1 0 477.652 5.757 1 0 JKAFRO O=C(/C=C/c1ccccc1)NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028869739 563083988 /nfs/dbraw/zinc/08/39/88/563083988.db2.gz DUIAUYDNVUUFBK-VHEBQXMUSA-N 1 0 453.630 5.003 1 0 JKAFRO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccccc3OC)oc21 ZINC000028877953 563084532 /nfs/dbraw/zinc/08/45/32/563084532.db2.gz PGUUNCFTHZPLEE-UHFFFAOYSA-N 1 0 459.542 5.693 1 0 JKAFRO OC[C@H]1CCC[N@H+](CCC[C@@H]2CCCc3ccc(OCc4ccc(-c5ccccc5F)cn4)cc32)C1 ZINC000028880994 563084751 /nfs/dbraw/zinc/08/47/51/563084751.db2.gz WTXXDQPNIWXLNL-ZEQRLZLVSA-N 1 0 488.647 6.371 1 0 JKAFRO CC1(C)CC[C@H]([NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c2cc(Cl)c(Cl)cc21 ZINC000028886406 563085046 /nfs/dbraw/zinc/08/50/46/563085046.db2.gz GAXICRLQZFWIKP-QFIPXVFZSA-N 1 0 458.433 5.534 1 0 JKAFRO CN(C)C(=O)c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1 ZINC000028890011 563085108 /nfs/dbraw/zinc/08/51/08/563085108.db2.gz PEYOMDPJARZSIW-GAJHUEQPSA-N 1 0 479.983 5.890 1 0 JKAFRO COc1ccc2nccc([C@@H]3CN([C@H]4CCCC[N@H+](Cc5cc6ccccc6[nH]5)C4)C(=O)O3)c2c1 ZINC000028892449 563085295 /nfs/dbraw/zinc/08/52/95/563085295.db2.gz ICBYBDKMACZOTP-IDISGSTGSA-N 1 0 470.573 5.273 1 0 JKAFRO COc1ccc2nccc([C@@H]3CN(C4CC[NH+](Cc5ccc6ccccc6c5)CC4)C(=O)O3)c2c1 ZINC000028893424 563085408 /nfs/dbraw/zinc/08/54/08/563085408.db2.gz CXPWIZLGIZBSFJ-NDEPHWFRSA-N 1 0 467.569 5.555 1 0 JKAFRO COc1ccc2nccc([C@@H]3CN(C4CC[NH+](Cc5ccc(-c6ccccc6)cc5)CC4)C(=O)O3)c2c1 ZINC000028893664 563085417 /nfs/dbraw/zinc/08/54/17/563085417.db2.gz YTHZHYKZFKMXRA-PMERELPUSA-N 1 0 493.607 6.068 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000028903782 563086476 /nfs/dbraw/zinc/08/64/76/563086476.db2.gz RXVZIOKWBWYSOH-HSZRJFAPSA-N 1 0 484.047 6.459 1 0 JKAFRO COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4cccc(OC(F)(F)F)c4)C3)nc2c1 ZINC000028951091 563087105 /nfs/dbraw/zinc/08/71/05/563087105.db2.gz RIMABVFMBXYCGG-OALUTQOASA-N 1 0 459.512 5.963 1 0 JKAFRO Clc1ccc([C@H](c2ccccc2)c2ccc(OCC[NH+]3CCCCC3)c3ccccc32)cc1 ZINC000028955551 563088243 /nfs/dbraw/zinc/08/82/43/563088243.db2.gz WJVXPTBGRNMSDX-PMERELPUSA-N 1 0 456.029 7.538 1 0 JKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)CC1)=CC2 ZINC000028957198 563088418 /nfs/dbraw/zinc/08/84/18/563088418.db2.gz ALWKLBLANVUFLD-HKUYNNGSSA-N 1 0 462.490 6.986 1 0 JKAFRO O=C(N[C@@H](C(=O)N1CCC(C[NH+]2CCCCC2)CC1)c1ccccc1)c1ccc2c(Cl)c[nH]c2c1 ZINC000028957286 563088438 /nfs/dbraw/zinc/08/84/38/563088438.db2.gz AWIAEDXQZBFHOH-AREMUKBSSA-N 1 0 493.051 5.017 1 0 JKAFRO CC(C)[NH+]1CCC(COC[C@@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2Cl)CC1 ZINC000028957717 563088498 /nfs/dbraw/zinc/08/84/98/563088498.db2.gz PMRPVCSQDMLWLF-RUZDIDTESA-N 1 0 488.459 6.083 1 0 JKAFRO CC[NH+]1CCC(COC[C@@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2Cl)CC1 ZINC000028957775 563088528 /nfs/dbraw/zinc/08/85/28/563088528.db2.gz SWLHILHGSMXBOP-XMMPIXPASA-N 1 0 474.432 5.694 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@H]3CC[C@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 ZINC000028957873 563088565 /nfs/dbraw/zinc/08/85/65/563088565.db2.gz VGGAERSVYZEQQX-UPVJREMESA-N 1 0 454.561 5.151 1 0 JKAFRO O=C(/C=C/c1ccc(F)c(F)c1)N1CCC(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC000028957829 563088575 /nfs/dbraw/zinc/08/85/75/563088575.db2.gz GJEHEIJDJXOGKI-KRXBUXKQSA-N 1 0 458.980 5.750 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 ZINC000028957866 563088577 /nfs/dbraw/zinc/08/85/77/563088577.db2.gz VGGAERSVYZEQQX-POCPGYCASA-N 1 0 454.561 5.151 1 0 JKAFRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCOc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 ZINC000028960844 563088952 /nfs/dbraw/zinc/08/89/52/563088952.db2.gz RYABHZCNNGZUHA-XMMPIXPASA-N 1 0 468.601 5.461 1 0 JKAFRO COc1ccc(C[NH+]2CCC(CCOc3ccc(-c4nc5cc(C(N)=O)ccc5[nH]4)cc3)CC2)cc1 ZINC000028960910 563089057 /nfs/dbraw/zinc/08/90/57/563089057.db2.gz QWRQSKJADKREBU-UHFFFAOYSA-N 1 0 484.600 5.019 1 0 JKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2ccccc2Cl)n1 ZINC000028963659 563089217 /nfs/dbraw/zinc/08/92/17/563089217.db2.gz WBPUOCXUCMBUTE-UHFFFAOYSA-N 1 0 486.982 5.925 1 0 JKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2cccc(F)c2F)n1 ZINC000028963586 563089233 /nfs/dbraw/zinc/08/92/33/563089233.db2.gz GANRXNCUNQWBTK-UHFFFAOYSA-N 1 0 488.517 5.549 1 0 JKAFRO CCC[N@H+](CCN1CCN(c2cccc(Cl)c2Cl)CC1)[C@@H]1CCc2c(O)cccc2C1 ZINC000028964257 563089302 /nfs/dbraw/zinc/08/93/02/563089302.db2.gz VBPWMWMHKVCXQD-HXUWFJFHSA-N 1 0 462.465 5.091 1 0 JKAFRO O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NCC3CCCCC3)sc2c1 ZINC000028967608 563089435 /nfs/dbraw/zinc/08/94/35/563089435.db2.gz VTISSKMIJQKOJN-UHFFFAOYSA-N 1 0 472.658 5.961 1 0 JKAFRO O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000028967666 563089590 /nfs/dbraw/zinc/08/95/90/563089590.db2.gz XREHBYFZBIEJIY-UHFFFAOYSA-N 1 0 480.593 5.221 1 0 JKAFRO O=C(Cc1ccccc1)N[C@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21 ZINC000029038644 563090764 /nfs/dbraw/zinc/09/07/64/563090764.db2.gz AKTHZRZKYPJJRC-MHZLTWQESA-N 1 0 496.680 5.007 1 0 JKAFRO CCCCc1ccc(/C=C/C(=O)NCCCCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000029038453 563090807 /nfs/dbraw/zinc/09/08/07/563090807.db2.gz BMPLUKAFWJYVJQ-WUKNDPDISA-N 1 0 471.689 6.690 1 0 JKAFRO O=C(Cc1csc2ccc(Cl)cc12)N1C[C@H](c2ccccc2)CC[C@H]1C[NH+]1CCCC1 ZINC000029042910 563091908 /nfs/dbraw/zinc/09/19/08/563091908.db2.gz PRPPBJBEAOJEFE-OFNKIYASSA-N 1 0 453.051 5.968 1 0 JKAFRO O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3ccccc3)ccc21 ZINC000029049657 563092890 /nfs/dbraw/zinc/09/28/90/563092890.db2.gz DUNFUDZVIBFHBS-ITYLOYPMSA-N 1 0 452.558 5.139 1 0 JKAFRO CC[C@]1(CCCC[NH+]2CCN(c3ccccc3OC)CC2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000029052786 563093152 /nfs/dbraw/zinc/09/31/52/563093152.db2.gz VCJCWDIJWRZRLQ-YTTGMZPUSA-N 1 0 497.683 5.882 1 0 JKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2c1cc(F)cc2Cl ZINC000029055345 563093607 /nfs/dbraw/zinc/09/36/07/563093607.db2.gz YSUCDXCEMDVJIT-DEOSSOPVSA-N 1 0 464.412 5.725 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccc4ccccc4c3)cc1)CC2 ZINC000029063384 563094056 /nfs/dbraw/zinc/09/40/56/563094056.db2.gz SNASXRQDKMDEGV-UHFFFAOYSA-N 1 0 466.581 5.710 1 0 JKAFRO Fc1ccc(C[C@@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000029128122 563096068 /nfs/dbraw/zinc/09/60/68/563096068.db2.gz WFSIGTBJUNJKRG-PMERELPUSA-N 1 0 467.563 6.225 1 0 JKAFRO CO[C@@H]1C[N@H+](C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc21 ZINC000029129046 563096624 /nfs/dbraw/zinc/09/66/24/563096624.db2.gz MFKHVNDQMBWBBI-PISWEHOVSA-N 1 0 468.439 5.092 1 0 JKAFRO c1ccc(COc2ccc(-n3nc(-c4ccc(-c5ccccc5)cc4)n[n+]3-c3ccccc3)cc2)cc1 ZINC000029131121 563097060 /nfs/dbraw/zinc/09/70/60/563097060.db2.gz QTGCBEFEJWWOJR-UHFFFAOYSA-N 1 0 481.579 6.457 1 0 JKAFRO COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@H](O)C[NH2+]C3CCCCC3)cc2)cc1 ZINC000029131574 563097120 /nfs/dbraw/zinc/09/71/20/563097120.db2.gz VIBDOHKMWLBJEP-YIXXDRMTSA-N 1 0 451.632 5.599 1 0 JKAFRO Brc1cccc(-[n+]2nc(-c3ccc(OCc4ccccc4)cc3)nn2-c2ccccc2)c1 ZINC000029131605 563097224 /nfs/dbraw/zinc/09/72/24/563097224.db2.gz OBXRGEBBRHKZNJ-UHFFFAOYSA-N 1 0 484.377 5.553 1 0 JKAFRO Cc1cccc(CCc2ccc3nc(NC4CC[NH+](C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134519 563097877 /nfs/dbraw/zinc/09/78/77/563097877.db2.gz GJCIHRROWOGURB-UHFFFAOYSA-N 1 0 469.633 5.093 1 0 JKAFRO Clc1ccc2c(c1)nccc2[C@@](c1ccccc1)(c1ccc(C[NH+]2CCCC2)cc1)n1ccnc1 ZINC000029135413 563098107 /nfs/dbraw/zinc/09/81/07/563098107.db2.gz MADOIFCQUKLARP-SSEXGKCCSA-N 1 0 479.027 6.521 1 0 JKAFRO CC[NH+](CC)C1CCC(Nc2nc3ccccc3c(Nc3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000029202976 563098225 /nfs/dbraw/zinc/09/82/25/563098225.db2.gz ZULDYHVJXSEALQ-UHFFFAOYSA-N 1 0 458.437 6.745 1 0 JKAFRO c1ccc(OCCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1 ZINC000029205472 563098363 /nfs/dbraw/zinc/09/83/63/563098363.db2.gz HDKIHHFTEUGZHJ-ZWXJPIIXSA-N 1 0 481.636 6.488 1 0 JKAFRO c1ccc(-c2noc(COc3ccc([C@H]4CC[NH2+]C[C@@H]4OCc4ccc5ccccc5c4)cc3)n2)cc1 ZINC000029208353 563098446 /nfs/dbraw/zinc/09/84/46/563098446.db2.gz OEZGSINKBODXCV-WDYNHAJCSA-N 1 0 491.591 6.131 1 0 JKAFRO COc1cc(O)ccc1[C@@H]1C(=O)c2ccc(O)cc2O[C@@H]1c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000029219770 563098816 /nfs/dbraw/zinc/09/88/16/563098816.db2.gz XZTISDVIUMWTRB-XRKRLSELSA-N 1 0 489.568 5.071 1 0 JKAFRO Cc1ccccc1/C=C1\CSC[C@H]2C1=NN(CCC[NH+]1CCN(C)CC1)[C@H]2c1ccccc1C ZINC000029311181 563099729 /nfs/dbraw/zinc/09/97/29/563099729.db2.gz FTPOJBVPYPHMRV-TVXLKGAYSA-N 1 0 474.718 5.100 1 0 JKAFRO Cc1ccccc1/C=C1\CSC[C@@H]2C1=NN(CCC[NH+]1CCN(C)CC1)[C@H]2c1ccccc1C ZINC000029311175 563099783 /nfs/dbraw/zinc/09/97/83/563099783.db2.gz FTPOJBVPYPHMRV-QISWABPXSA-N 1 0 474.718 5.100 1 0 JKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C(OC)OC)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000029338811 563100914 /nfs/dbraw/zinc/10/09/14/563100914.db2.gz MDNFDBLWLWEAOR-HNNXBMFYSA-N 1 0 493.526 5.885 1 0 JKAFRO COc1ccccc1CC(=[NH2+])N1C[C@@H]2C(=O)CSC(c3ccccc3)(c3ccccc3)[C@@H]2C1 ZINC000029340309 563100979 /nfs/dbraw/zinc/10/09/79/563100979.db2.gz AEGBWONMUPOGGH-BJKOFHAPSA-N 1 0 456.611 5.023 1 0 JKAFRO COc1ccccc1[C@@H]1C(C(=O)OCC[NH+](C)C)=C(C)N=C2SC(c3ccc(Cl)cc3)=CN21 ZINC000029341449 563101091 /nfs/dbraw/zinc/10/10/91/563101091.db2.gz ZKTDWLJTUNSWPD-HSZRJFAPSA-N 1 0 484.021 5.186 1 0 JKAFRO CCN(CC)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3cccnc3)c2c1 ZINC000029465673 563104152 /nfs/dbraw/zinc/10/41/52/563104152.db2.gz NOAOFLQCVXNJPA-UHFFFAOYSA-N 1 0 496.699 6.484 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2nc(-c3ccccc3)sc2CC)cc1 ZINC000029471266 563104660 /nfs/dbraw/zinc/10/46/60/563104660.db2.gz UXVTWPDUUZWGAD-UHFFFAOYSA-N 1 0 450.692 7.711 1 0 JKAFRO Cc1ccccc1C(=O)N1CCC([NH+]2CCC(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)CC1 ZINC000029474639 563104803 /nfs/dbraw/zinc/10/48/03/563104803.db2.gz XGHNAKWHHPPVMG-UHFFFAOYSA-N 1 0 495.667 5.807 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000029476283 563104933 /nfs/dbraw/zinc/10/49/33/563104933.db2.gz SIHBANZISIDDII-UHFFFAOYSA-N 1 0 490.635 8.167 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(/C=C/c2nc3ccc(OC)cc3s2)cc1 ZINC000029478147 563105074 /nfs/dbraw/zinc/10/50/74/563105074.db2.gz QEJHENBUBLUHLW-LFIBNONCSA-N 1 0 452.664 7.146 1 0 JKAFRO O=S(=O)(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000029480464 563105248 /nfs/dbraw/zinc/10/52/48/563105248.db2.gz YRANPYGJVRCSSY-UHFFFAOYSA-N 1 0 494.488 5.803 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(/C=C/c2nc3cc(Cl)ccc3s2)cc1 ZINC000029480277 563105253 /nfs/dbraw/zinc/10/52/53/563105253.db2.gz DAWKHNZOXMWFDC-XNTDXEJSSA-N 1 0 457.083 7.791 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029482252 563105329 /nfs/dbraw/zinc/10/53/29/563105329.db2.gz IKGYZRARVRBQTA-JLHYYAGUSA-N 1 0 450.026 6.001 1 0 JKAFRO Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(N)=[NH2+])cc3c2CCCc2ccccc2)c1 ZINC000029481268 563105353 /nfs/dbraw/zinc/10/53/53/563105353.db2.gz DACJTTSCMFHHNQ-UHFFFAOYSA-N 1 0 462.391 6.071 1 0 JKAFRO O=C(NCCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccc(-c2ccccc2)cc1 ZINC000029482779 563105408 /nfs/dbraw/zinc/10/54/08/563105408.db2.gz WSSNDGYOALTBKR-UHFFFAOYSA-N 1 0 479.668 7.005 1 0 JKAFRO O[C@@H](CCC[NH+]1CCC(N(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000029555258 563106541 /nfs/dbraw/zinc/10/65/41/563106541.db2.gz JJPYMIFWTYGEOO-MHZLTWQESA-N 1 0 454.536 6.220 1 0 JKAFRO O=C(CCC[N@H+]1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)NC1CCCCC1 ZINC000029555167 563106546 /nfs/dbraw/zinc/10/65/46/563106546.db2.gz ZHKOPWXKEUTUQW-RSXGOPAZSA-N 1 0 453.577 5.504 1 0 JKAFRO O=C(NCCCCCC[N@H+]1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000029554025 563106568 /nfs/dbraw/zinc/10/65/68/563106568.db2.gz NCNZEUCJDCGDDP-PXJZQJOASA-N 1 0 489.610 6.265 1 0 JKAFRO CC[C@@H](O)C1CC[NH+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029556667 563106627 /nfs/dbraw/zinc/10/66/27/563106627.db2.gz KRMCSHVGYGBUFB-WIOPSUGQSA-N 1 0 477.476 5.722 1 0 JKAFRO CCC[C@H](O)C1CC[NH+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029556370 563106681 /nfs/dbraw/zinc/10/66/81/563106681.db2.gz YYHURHAIRKRIMY-BVAGGSTKSA-N 1 0 491.503 6.112 1 0 JKAFRO COc1nc2cccc3cccc(c32)n1CC[NH+]1CCC(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000029559797 563106856 /nfs/dbraw/zinc/10/68/56/563106856.db2.gz MVTFHDOBFMXGDB-UHFFFAOYSA-N 1 0 456.565 5.773 1 0 JKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCCCOc3ccccc3)CC2)cc1 ZINC000029559664 563106902 /nfs/dbraw/zinc/10/69/02/563106902.db2.gz VSABRSOYBLLFII-UHFFFAOYSA-N 1 0 472.608 5.959 1 0 JKAFRO C[C@@H](O)C1CC[NH+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029560879 563107003 /nfs/dbraw/zinc/10/70/03/563107003.db2.gz PEWKICBBWGQLAD-GCJKJVERSA-N 1 0 463.449 5.332 1 0 JKAFRO CCC(=O)C1CC[NH+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029561594 563107111 /nfs/dbraw/zinc/10/71/11/563107111.db2.gz FDCLRKXPPRFSKU-QFIPXVFZSA-N 1 0 475.460 5.930 1 0 JKAFRO O=C1c2cccc3cccc(c32)C(=O)N1CC[NH+]1CCC(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000029562407 563107146 /nfs/dbraw/zinc/10/71/46/563107146.db2.gz LTAMYBBMBMWTMB-UHFFFAOYSA-N 1 0 455.533 5.011 1 0 JKAFRO COc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c(OC)c1 ZINC000029569286 563107618 /nfs/dbraw/zinc/10/76/18/563107618.db2.gz UUBOECXKHUDSTQ-UHFFFAOYSA-N 1 0 488.607 5.360 1 0 JKAFRO CCC(CC)C(=O)N1CC[NH+](CCCCCCNc2cc(OC)cc3c(C)ccnc23)CC1 ZINC000029569066 563107641 /nfs/dbraw/zinc/10/76/41/563107641.db2.gz VXZBWBGXOZKFCW-UHFFFAOYSA-N 1 0 454.659 5.105 1 0 JKAFRO C[N@@H+]1CCc2cccc3c2[C@H]1Cc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1-3 ZINC000031283296 563107920 /nfs/dbraw/zinc/10/79/20/563107920.db2.gz VBPQTDKFLRFHSL-RUZDIDTESA-N 1 0 475.544 5.877 1 0 JKAFRO CC(=O)O[C@@H]1[C@H](n2ccnc2)C[C@H]2[C@@H]3CC=C4C[C@@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000031872202 563108839 /nfs/dbraw/zinc/10/88/39/563108839.db2.gz KZPNCXIHDYJAKC-YMKXYDDHSA-N 1 0 451.655 5.393 1 0 JKAFRO Clc1ccc([C@@H](Cc2cccc(Cl)c2)c2c(Cl)nc(N3CC[NH2+]CC3)nc2Cl)cc1 ZINC000031897398 563108892 /nfs/dbraw/zinc/10/88/92/563108892.db2.gz XJNSDCGPKMHVLU-GOSISDBHSA-N 1 0 482.242 5.874 1 0 JKAFRO O[C@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000032286484 563109693 /nfs/dbraw/zinc/10/96/93/563109693.db2.gz LQJUOTCZQXZOPN-KUXIJUKQSA-N 1 0 493.478 7.314 1 0 JKAFRO CCC1(CC)Oc2cc(OC)ccc2C(c2ccc(OCC[NH+]3CCCC3)cc2)=C1c1ccccc1 ZINC000033827362 563111006 /nfs/dbraw/zinc/11/10/06/563111006.db2.gz JKPDICXJAHISEL-UHFFFAOYSA-N 1 0 483.652 7.080 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)c1-c1ccc(O)cc1 ZINC000034246728 563112708 /nfs/dbraw/zinc/11/27/08/563112708.db2.gz QFOMEAKDJGTPOK-NRFANRHFSA-N 1 0 470.613 6.329 1 0 JKAFRO Oc1ccc(-c2c(Cl)c3cc(O)ccc3n2Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000034251187 563112853 /nfs/dbraw/zinc/11/28/53/563112853.db2.gz QKHVNDLAZSSHNH-UHFFFAOYSA-N 1 0 462.977 5.896 1 0 JKAFRO CC(=O)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(C)c1 ZINC000034289866 563112903 /nfs/dbraw/zinc/11/29/03/563112903.db2.gz JTNMDLZECBZHEC-UHFFFAOYSA-N 1 0 493.594 5.893 1 0 JKAFRO COc1ccccc1OCCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000034289858 563112919 /nfs/dbraw/zinc/11/29/19/563112919.db2.gz WLDFWNJDWABPJE-UHFFFAOYSA-N 1 0 467.556 5.390 1 0 JKAFRO COc1cc(N(C)C(=O)c2ccc(C3CCCCC3)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000034311603 563113049 /nfs/dbraw/zinc/11/30/49/563113049.db2.gz UZZBNZPIPZJUOH-UHFFFAOYSA-N 1 0 466.666 6.517 1 0 JKAFRO CC(C)n1cnc2c1nc(N[C@H]1CCC[C@@H]([NH3+])C1)nc2NCc1ccc(-c2ccccc2)cc1 ZINC000034356266 563113279 /nfs/dbraw/zinc/11/32/79/563113279.db2.gz SOMXUWPRORRTQU-PKTZIBPZSA-N 1 0 455.610 5.368 1 0 JKAFRO [NH2+]=C(c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1 ZINC000034394381 563113581 /nfs/dbraw/zinc/11/35/81/563113581.db2.gz KLPINZFXEORXKU-UHFFFAOYSA-N 1 0 461.953 5.051 1 0 JKAFRO Cc1ccccc1/C=C1\CSC[C@H]2C1=NN(CCC[NH+]1CCN(C)CC1)[C@@H]2c1ccccc1C ZINC000034588905 563113917 /nfs/dbraw/zinc/11/39/17/563113917.db2.gz FTPOJBVPYPHMRV-UNKXWDAWSA-N 1 0 474.718 5.100 1 0 JKAFRO Cc1ccc(/C=C2\CSC[C@@H]3C2=NN(CCC[NH+]2CCN(C)CC2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000034588898 563113969 /nfs/dbraw/zinc/11/39/69/563113969.db2.gz YWGAQRBVSIMYTD-UAOYBAJOSA-N 1 0 474.718 5.100 1 0 JKAFRO CC(C)(C)c1ccc(-c2cn3cccc(N4CC[NH+](Cc5ccc6nccnc6c5)CC4)c3n2)cc1 ZINC000034602354 563113972 /nfs/dbraw/zinc/11/39/72/563113972.db2.gz GZNCTLDXQUBFSD-UHFFFAOYSA-N 1 0 476.628 5.564 1 0 JKAFRO O=C(COc1cccc(Cl)c1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000034637927 563114349 /nfs/dbraw/zinc/11/43/49/563114349.db2.gz GIAMAPLWLDNOGA-UHFFFAOYSA-N 1 0 491.941 5.309 1 0 JKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)c(C)cc21 ZINC000034774050 563114963 /nfs/dbraw/zinc/11/49/63/563114963.db2.gz PYSBTWHUBFKBBK-SANMLTNESA-N 1 0 459.461 7.453 1 0 JKAFRO COc1ccc2nc(OC)c([C@@H](c3ccccc3)[C@](O)(CCc3ccccc3)CC[NH+](C)C)cc2c1 ZINC000034786700 563115034 /nfs/dbraw/zinc/11/50/34/563115034.db2.gz QUCYLWMCJCNQQW-VEEOACQBSA-N 1 0 484.640 5.700 1 0 JKAFRO Cc1ccc(-c2nn(CCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(=O)c3ccccc32)cc1 ZINC000034801019 563115456 /nfs/dbraw/zinc/11/54/56/563115456.db2.gz YERPPDSXDFGFFN-UHFFFAOYSA-N 1 0 487.047 5.628 1 0 JKAFRO CC(C)CC[N@@H+]1CCC[C@H](Cn2c3ccccc3nc2CN(C)[C@H]2CCCc3cccnc32)C1 ZINC000034821260 563116700 /nfs/dbraw/zinc/11/67/00/563116700.db2.gz GHZOBXUUQBAKHP-HOFKKMOUSA-N 1 0 459.682 5.699 1 0 JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1cccnc1 ZINC000034874733 563117149 /nfs/dbraw/zinc/11/71/49/563117149.db2.gz JUPKPKCAKVWOKU-CFOBCZLRSA-N 1 0 452.598 5.823 1 0 JKAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(CCCc1ccccc1)Cc1c2ccccc2[nH]c1[C@]3(C)O5 ZINC000034950698 563117635 /nfs/dbraw/zinc/11/76/35/563117635.db2.gz XIPLMTRDNJBQQR-XQSZSLLBSA-N 1 0 490.647 6.245 1 0 JKAFRO COc1ccc([C@@H](CC[N@@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc1 ZINC000034961412 563117789 /nfs/dbraw/zinc/11/77/89/563117789.db2.gz YCEJCHONGICRJP-PGRDOPGGSA-N 1 0 465.590 5.381 3 0 JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccncc1 ZINC000035048721 563118436 /nfs/dbraw/zinc/11/84/36/563118436.db2.gz NAAJHTHOQMLWTO-CFOBCZLRSA-N 1 0 452.598 5.823 1 0 JKAFRO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000035821510 563120587 /nfs/dbraw/zinc/12/05/87/563120587.db2.gz VICBISWWTBVDOF-UHFFFAOYSA-N 1 0 482.506 6.002 1 0 JKAFRO Cc1ccc(F)cc1-c1cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc2cc1C ZINC000035862396 563120837 /nfs/dbraw/zinc/12/08/37/563120837.db2.gz PWKWAGIBTGYEHC-UHFFFAOYSA-N 1 0 457.553 5.666 1 0 JKAFRO COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/C[NH+]1CCC(F)CC1 ZINC000035922464 563121268 /nfs/dbraw/zinc/12/12/68/563121268.db2.gz YMQSEEOAYCTNQU-NSCUHMNNSA-N 1 0 487.938 5.103 1 0 JKAFRO CC(C)[C@]1(C(=O)N2CCC(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000035974256 563121594 /nfs/dbraw/zinc/12/15/94/563121594.db2.gz UQYSHOUYFRUTGL-NOZRDPDXSA-N 1 0 466.588 5.375 1 0 JKAFRO CCCc1ccc(C(=O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000035984942 563121670 /nfs/dbraw/zinc/12/16/70/563121670.db2.gz PBIBEWTURATALQ-UHFFFAOYSA-N 1 0 455.642 6.250 1 0 in-vitro JKAFRO CC(C)[C@]1(C(=O)N2CC=C(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000035985131 563121677 /nfs/dbraw/zinc/12/16/77/563121677.db2.gz DNMARXFWSHTKNV-NOZRDPDXSA-N 1 0 464.572 5.285 1 0 JKAFRO FC(F)(F)c1cc(COC[C@@]2(c3ccccc3)CC[C@@H]([NH+]3CCOCC3)C2)cc(C(F)(F)F)c1 ZINC000035985535 563121801 /nfs/dbraw/zinc/12/18/01/563121801.db2.gz KNSNLGZARQKZRO-DHIUTWEWSA-N 1 0 487.484 6.064 1 0 JKAFRO CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CC[N@@H+]2CCF)cc(C(C)=O)c1 ZINC000036093271 563122182 /nfs/dbraw/zinc/12/21/82/563122182.db2.gz VCYYAUWOLSKMPO-CUNXSJBXSA-N 1 0 499.602 5.425 1 0 JKAFRO CCC(=O)Nc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH2+]CC2)n1 ZINC000036127118 563122700 /nfs/dbraw/zinc/12/27/00/563122700.db2.gz UMVDESRCPDPTMG-UHFFFAOYSA-N 1 0 486.551 5.212 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000036285564 563125246 /nfs/dbraw/zinc/12/52/46/563125246.db2.gz TUVAAUULBWCGLQ-JPYJTQIMSA-N 1 0 496.017 5.932 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCCC2CCCCC2)CC1 ZINC000036285705 563125275 /nfs/dbraw/zinc/12/52/75/563125275.db2.gz RSQJCAXHGWYJSX-QHCPKHFHSA-N 1 0 467.620 6.151 1 0 JKAFRO Cc1ccc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)cc1C ZINC000036285779 563125372 /nfs/dbraw/zinc/12/53/72/563125372.db2.gz NMCAXQLLMNGADX-BWKNWUBXSA-N 1 0 489.626 5.896 1 0 JKAFRO CC[C@@H](C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 ZINC000036285798 563125385 /nfs/dbraw/zinc/12/53/85/563125385.db2.gz SYYIQIAIEQVVKQ-OSPHWJPCSA-N 1 0 481.990 5.686 1 0 JKAFRO Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3C)CC2)c([C@@H]([NH3+])CC(C)C)c1 ZINC000036285768 563125404 /nfs/dbraw/zinc/12/54/04/563125404.db2.gz BFVSBAGPDMVJCF-BWKNWUBXSA-N 1 0 456.074 5.530 1 0 JKAFRO c1csc(-c2ccc(-c3nc4c(ncnc4N4C[C@H]5[C@@H](CC[N@H+]5Cc5ccccc5)C4)o3)cc2)c1 ZINC000036338404 563126341 /nfs/dbraw/zinc/12/63/41/563126341.db2.gz AJJBZXSWSSKGGK-GOTSBHOMSA-N 1 0 479.609 5.724 1 0 JKAFRO Cc1cc(-c2ccc3c(c2)occ(-c2ccc(N4CC[C@@H]([NH+](C)C)C4)nc2)c3=O)ccc1Cl ZINC000036351607 563126958 /nfs/dbraw/zinc/12/69/58/563126958.db2.gz YIGYYHXUDRNDMA-OAQYLSRUSA-N 1 0 459.977 5.624 1 0 JKAFRO C[NH+](C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1 ZINC000036351615 563126982 /nfs/dbraw/zinc/12/69/82/563126982.db2.gz JFLHGPMUAZJVGA-OAQYLSRUSA-N 1 0 479.502 5.681 1 0 JKAFRO C[NH+](C)[C@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1 ZINC000036351616 563126986 /nfs/dbraw/zinc/12/69/86/563126986.db2.gz JFLHGPMUAZJVGA-NRFANRHFSA-N 1 0 479.502 5.681 1 0 JKAFRO C[NH+](C)[C@H]1CCN(c2ccc(-c3coc4cc(Oc5ccc(Cl)cc5)ccc4c3=O)cn2)C1 ZINC000036351552 563126992 /nfs/dbraw/zinc/12/69/92/563126992.db2.gz LNUNJEQAQIMUJF-IBGZPJMESA-N 1 0 461.949 5.441 1 0 JKAFRO Cc1cc(-c2ccc3c(c2)occ(-c2ccc(N4CC[C@H]([NH+](C)C)C4)nc2)c3=O)ccc1Cl ZINC000036351606 563126994 /nfs/dbraw/zinc/12/69/94/563126994.db2.gz YIGYYHXUDRNDMA-NRFANRHFSA-N 1 0 459.977 5.624 1 0 JKAFRO Cc1ccc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)Nc2cccc(F)c2)cc1 ZINC000036351876 563127082 /nfs/dbraw/zinc/12/70/82/563127082.db2.gz ZYJQVJKEBFTNEB-UHFFFAOYSA-N 1 0 476.552 5.396 1 0 JKAFRO C=C1[NH2+]C2=C(C(O)=C(C(=O)OC)[C@@H](C)C2)[C@H](c2ccc(N(C)C)cc2)C1C(=O)OC1CCCCC1 ZINC000036384113 563128397 /nfs/dbraw/zinc/12/83/97/563128397.db2.gz PYAFGMDQCGMELX-NDXTYJBTSA-N 1 0 480.605 5.082 1 0 JKAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCCCC1 ZINC000036413296 563130031 /nfs/dbraw/zinc/13/00/31/563130031.db2.gz RJXIEHBFRZLGTH-IZZNHLLZSA-N 1 0 472.620 5.120 1 0 in-vitro JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccc(Cl)cc1 ZINC000036474549 563130356 /nfs/dbraw/zinc/13/03/56/563130356.db2.gz KOSIZZFHENHXBG-LHWBMOMUSA-N 1 0 486.055 7.081 1 0 JKAFRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc21 ZINC000036476059 563130401 /nfs/dbraw/zinc/13/04/01/563130401.db2.gz ZZLJUUCFYIBWJN-DPSWKAHMSA-N 1 0 456.508 6.130 1 0 JKAFRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc21 ZINC000036476020 563130432 /nfs/dbraw/zinc/13/04/32/563130432.db2.gz ZZLJUUCFYIBWJN-UOKFIYJESA-N 1 0 456.508 6.130 1 0 JKAFRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc2ccccc21 ZINC000036476000 563130444 /nfs/dbraw/zinc/13/04/44/563130444.db2.gz UEPSXCXDVJJKNJ-UOKFIYJESA-N 1 0 476.564 5.799 1 0 JKAFRO O=C1NC[C@@H](c2ccc(C(F)(F)F)cc2)C12CC[NH+](C1(c3ccc(F)cc3)CCCCC1)CC2 ZINC000038147575 563131804 /nfs/dbraw/zinc/13/18/04/563131804.db2.gz FTOXYKIABNPIDL-QHCPKHFHSA-N 1 0 474.542 6.000 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2cc(C[NH+]3CCCCC3)ccc2c1 ZINC000038149700 563132107 /nfs/dbraw/zinc/13/21/07/563132107.db2.gz FJPBPFUKHDZYIJ-UHFFFAOYSA-N 1 0 486.040 6.907 1 0 in-vitro JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)CCC(C[NH+]1CCCCC1)=C2 ZINC000038149697 563132110 /nfs/dbraw/zinc/13/21/10/563132110.db2.gz DMADJAYTJYCDGS-UHFFFAOYSA-N 1 0 488.056 6.583 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2sc(C[NH+]3CCCCC3)cc2c1 ZINC000038149687 563132125 /nfs/dbraw/zinc/13/21/25/563132125.db2.gz PVFOJNGXRJKDMG-UHFFFAOYSA-N 1 0 492.069 6.968 1 0 JKAFRO C[C@@H]1CCC[N@@H+]1CCc1ccc2nc(-c3csc(-c4ccc(OCC(F)(F)F)nc4)n3)ccc2c1 ZINC000038211846 563133323 /nfs/dbraw/zinc/13/33/23/563133323.db2.gz SZALSWFXFHISRB-QGZVFWFLSA-N 1 0 498.574 6.388 1 0 JKAFRO C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)Cc6cccs6)CC[C@]5(C)[C@H]4CC[C@]23C[N@@H+]1C ZINC000038240783 563133465 /nfs/dbraw/zinc/13/34/65/563133465.db2.gz WCWGMGFUWKBZKE-FAZCMBORSA-N 1 0 466.735 6.011 1 0 JKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1 ZINC000038246215 563133572 /nfs/dbraw/zinc/13/35/72/563133572.db2.gz MAWQRPMJZURDTA-UHFFFAOYSA-N 1 0 499.634 5.864 1 0 JKAFRO CCCNC(=O)c1ccc(F)c2c1C[C@H]([N@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000038361942 563134043 /nfs/dbraw/zinc/13/40/43/563134043.db2.gz IVCXXYAPUGLPQO-NRFANRHFSA-N 1 0 481.587 5.377 1 0 in-vitro JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc(O)c(F)c1 ZINC000038382017 563134102 /nfs/dbraw/zinc/13/41/02/563134102.db2.gz DBIQTOWPZVCCTN-UHFFFAOYSA-N 1 0 474.576 6.080 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc(OC(C)C)cc1 ZINC000038385997 563134155 /nfs/dbraw/zinc/13/41/55/563134155.db2.gz RGPAIVZAKHHEOP-UHFFFAOYSA-N 1 0 498.667 7.023 1 0 JKAFRO c1ccc2ncc(Nc3ccnc(Nc4ccc(OCCC[NH+]5CCCCC5)cc4)n3)cc2c1 ZINC000038452660 563134579 /nfs/dbraw/zinc/13/45/79/563134579.db2.gz FXDWNCFVVOSWKM-UHFFFAOYSA-N 1 0 454.578 5.767 1 0 in-vivo JKAFRO O[C@@]12CCCCCC[C@H]3CC[N@H+]4CCC[C@@H](CCCCCC[C@H]5CCN(CCC1)[C@@H]2O5)[C@H]4O3 ZINC000038801963 563135468 /nfs/dbraw/zinc/13/54/68/563135468.db2.gz DAHFKODECRYGAQ-DMJLDDAMSA-N 1 0 462.719 5.450 1 0 JKAFRO CCCCCCc1c2c(cc3[n+]1CCc1cc4c(cc1-3)OCO4)c(Br)cc(OC)c2OC ZINC000039037336 563136031 /nfs/dbraw/zinc/13/60/31/563136031.db2.gz UPENJRZYFIYLJH-UHFFFAOYSA-N 1 0 499.425 5.982 1 0 JKAFRO CCC(=O)O[C@H](c1ccccc1)[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc(OC)cc2)CC1 ZINC000039239013 563136441 /nfs/dbraw/zinc/13/64/41/563136441.db2.gz NGBKHOCUOBOWPM-URLMMPGGSA-N 1 0 458.602 5.249 1 0 JKAFRO C[C@H](C[N@@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000039643440 563136831 /nfs/dbraw/zinc/13/68/31/563136831.db2.gz IGXIJLLEYISYCT-GDRRSRKRSA-N 1 0 474.516 8.004 1 0 JKAFRO COc1cc2nc(N3CCC([N@H+](C)C4CCCC4)CC3)nc(NC3CCCCCC3)c2cc1OC ZINC000040379715 563137321 /nfs/dbraw/zinc/13/73/21/563137321.db2.gz DGLJOEVJJUYDCB-UHFFFAOYSA-N 1 0 481.685 5.625 1 0 JKAFRO CCN(C(=O)N(C)c1ccccc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040392056 563137951 /nfs/dbraw/zinc/13/79/51/563137951.db2.gz SBNNDGTUZRHEAY-LXFBAYGMSA-N 1 0 490.692 5.465 1 0 JKAFRO CCC[NH+]1CCC(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)(c2cccc(OC)c2)CC1 ZINC000040393609 563138526 /nfs/dbraw/zinc/13/85/26/563138526.db2.gz CBQFKQDIGYVGEQ-UHFFFAOYSA-N 1 0 465.682 6.507 1 0 JKAFRO NC(=[NH2+])NCCNc1ccc(C(=O)Nc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cc1 ZINC000040395098 563138996 /nfs/dbraw/zinc/13/89/96/563138996.db2.gz NTEFUUDXMXONBE-UHFFFAOYSA-N 1 0 492.627 5.041 1 0 JKAFRO [NH3+]Cc1cc(Cl)c(Nc2nc3c(ncnc3Nc3ccc(C(F)(F)F)cc3)s2)c(Cl)c1 ZINC000040395112 563139042 /nfs/dbraw/zinc/13/90/42/563139042.db2.gz YKIBKPIRIJNMKG-UHFFFAOYSA-N 1 0 485.322 6.358 1 0 JKAFRO CCc1ccccc1C(=O)N([C@@H](Cc1ccc(Cl)cc1)C[NH+](C)C)C1CCC2(CC1)OCCO2 ZINC000040395614 563139307 /nfs/dbraw/zinc/13/93/07/563139307.db2.gz DJERTHKDACYGDN-VWLOTQADSA-N 1 0 485.068 5.203 1 0 JKAFRO COc1ccc2c(c1)OCCC(c1ccc(O)cc1)=C2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000040395775 563139389 /nfs/dbraw/zinc/13/93/89/563139389.db2.gz PESQNLUMBCKJOK-UHFFFAOYSA-N 1 0 457.570 5.617 1 0 JKAFRO COc1ccc(C(OCC[NH2+]Cc2cccc(O)c2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000040402254 563139556 /nfs/dbraw/zinc/13/95/56/563139556.db2.gz XUSDGUGFYGXGBU-UHFFFAOYSA-N 1 0 499.607 5.516 1 0 JKAFRO O=C1N(CC2CC2)CN(c2ccccc2)C12CC[NH+](C(c1ccccc1)c1ccccc1)CC2 ZINC000040408033 563140394 /nfs/dbraw/zinc/14/03/94/563140394.db2.gz DFUWOFTVSMOGGO-UHFFFAOYSA-N 1 0 451.614 5.327 1 0 JKAFRO COc1ccc(C[C@@H]2CN3C(=[NH+]C[C@H]3CC3CCCCC3)N2CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000040410370 563140565 /nfs/dbraw/zinc/14/05/65/563140565.db2.gz CWCDAYAWVNDLQD-XXGRYSQVSA-N 1 0 489.748 6.539 1 0 JKAFRO COC(=O)c1ccc(F)c2c1C[C@H]([N@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040411449 563140777 /nfs/dbraw/zinc/14/07/77/563140777.db2.gz JFVMDYGLVSOAPL-IBGZPJMESA-N 1 0 454.517 5.024 1 0 in-vitro JKAFRO O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(-c3ccc(Cl)cc3)ccc21 ZINC000040413900 563141168 /nfs/dbraw/zinc/14/11/68/563141168.db2.gz TZDBDULCUQMZJN-ONUIUJJFSA-N 1 0 471.988 5.716 1 0 JKAFRO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CNC(=O)OCc2ccccc2)c1-3 ZINC000040414061 563141222 /nfs/dbraw/zinc/14/12/22/563141222.db2.gz XDMMFCGVZPFDKE-XMMPIXPASA-N 1 0 470.569 5.051 1 0 JKAFRO Cc1nnc(C(C)C)n1C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CC(F)(F)C2)c2ccccc2)CC1 ZINC000040421339 563141513 /nfs/dbraw/zinc/14/15/13/563141513.db2.gz FMROLDYZPAJDIZ-JPYJTQIMSA-N 1 0 473.612 5.028 1 0 JKAFRO CCC(=O)N1CCC[C@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000040429540 563143326 /nfs/dbraw/zinc/14/33/26/563143326.db2.gz GXVJMQIXARBHKG-SANMLTNESA-N 1 0 469.467 5.632 1 0 JKAFRO C[C@@H]1C[C@@H](C)C[NH+](CCCOc2ccc(-n3c4ccc(F)cc4nc3-c3ccccn3)cc2)C1 ZINC000040429536 563143339 /nfs/dbraw/zinc/14/33/39/563143339.db2.gz INZNENROAMTTFF-NHCUHLMSSA-N 1 0 458.581 5.973 1 0 JKAFRO CC(C)CNc1nc(NCc2cccc3ccccc32)cc(CCc2cccc3ccccc32)[nH+]1 ZINC000040430234 563143545 /nfs/dbraw/zinc/14/35/45/563143545.db2.gz LNFHNSQNGGNQCJ-UHFFFAOYSA-N 1 0 460.625 7.248 1 0 JKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccc(F)c(C(F)(F)F)c1 ZINC000040465261 563144063 /nfs/dbraw/zinc/14/40/63/563144063.db2.gz UABWRJQXJPTQQZ-CQSZACIVSA-N 1 0 451.464 6.041 1 0 JKAFRO C[NH+](C)C[C@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2)c1ccccc1 ZINC000040466885 563144388 /nfs/dbraw/zinc/14/43/88/563144388.db2.gz YZTLYRDFBHBLLC-NRFANRHFSA-N 1 0 476.411 5.619 1 0 JKAFRO Cc1ccccc1OCCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040504120 563144826 /nfs/dbraw/zinc/14/48/26/563144826.db2.gz WKAYEVWSHHUQAD-UHFFFAOYSA-N 1 0 451.557 5.690 1 0 JKAFRO OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC[NH+](CCC[C@@H]2OCO[C@@H]2c2ccccc2)CC1 ZINC000040505189 563144892 /nfs/dbraw/zinc/14/48/92/563144892.db2.gz PBAKHPZJMXMAMK-URLMMPGGSA-N 1 0 493.594 5.807 1 0 JKAFRO Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000040564994 563145492 /nfs/dbraw/zinc/14/54/92/563145492.db2.gz CVIJUCWPQJLSTC-UHFFFAOYSA-N 1 0 450.365 7.448 1 0 JKAFRO COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCC(F)(F)CC1 ZINC000040565706 563145667 /nfs/dbraw/zinc/14/56/67/563145667.db2.gz CSADWEJVKHYOSP-UHFFFAOYSA-N 1 0 497.369 5.542 1 0 JKAFRO CC(=O)Nc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040566081 563145762 /nfs/dbraw/zinc/14/57/62/563145762.db2.gz GSLRAYXIFXOUFB-UHFFFAOYSA-N 1 0 488.415 5.247 1 0 JKAFRO COc1cc(NC(=O)c2ccc(-c3ccccc3C)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040567241 563146022 /nfs/dbraw/zinc/14/60/22/563146022.db2.gz UPODCQKNYNRQTI-UHFFFAOYSA-N 1 0 460.618 6.421 1 0 JKAFRO COc1ccc(C2=C(C)CN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040567135 563146052 /nfs/dbraw/zinc/14/60/52/563146052.db2.gz DYNAIHDYKQVCQY-UHFFFAOYSA-N 1 0 475.416 5.687 1 0 JKAFRO COc1cc(NC(=O)c2cccc(C(=O)c3ccccc3)c2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040567840 563146080 /nfs/dbraw/zinc/14/60/80/563146080.db2.gz VJSRNERLRLOZLO-UHFFFAOYSA-N 1 0 474.601 5.676 1 0 JKAFRO COC(=O)CCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040575686 563146339 /nfs/dbraw/zinc/14/63/39/563146339.db2.gz RAACUKXVGINMTN-HSIBUNQISA-N 1 0 473.698 5.676 1 0 JKAFRO COc1ccc(/C=C2\C[C@H](c3ccc(OCC[NH+]4CCCC4)cc3)Oc3cc(OC)ccc32)cc1 ZINC000040584637 563146672 /nfs/dbraw/zinc/14/66/72/563146672.db2.gz QVMXSRNETSBGSK-DZCVBQROSA-N 1 0 471.597 6.243 1 0 JKAFRO C[NH+](C)C12C[C@@H](OC(=O)/C=C/c3ccccc3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040592105 563146837 /nfs/dbraw/zinc/14/68/37/563146837.db2.gz MFWDXDLANOGFRU-WRVYEQBFSA-N 1 0 451.610 6.293 1 0 JKAFRO C[NH+](C)C[C@H](c1nnc2n1-c1ccc(Br)cc1C(c1ccccc1)=NC2)c1ccccc1 ZINC000040640066 563147206 /nfs/dbraw/zinc/14/72/06/563147206.db2.gz FOYGNVHTZNPEHZ-QFIPXVFZSA-N 1 0 486.417 5.074 1 0 JKAFRO C[NH+](C)C[C@@H](c1nnc2n1-c1ccc(Br)cc1C(c1ccccc1)=NC2)c1ccccc1 ZINC000040640069 563147229 /nfs/dbraw/zinc/14/72/29/563147229.db2.gz FOYGNVHTZNPEHZ-JOCHJYFZSA-N 1 0 486.417 5.074 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000040641383 563147292 /nfs/dbraw/zinc/14/72/92/563147292.db2.gz MJWDHIGIINDFQN-UHFFFAOYSA-N 1 0 458.602 5.074 1 0 JKAFRO COc1ccc(N2CC[C@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCC(C)(C)CC1 ZINC000040763318 563147970 /nfs/dbraw/zinc/14/79/70/563147970.db2.gz WREWYZJKMRIQMH-HXUWFJFHSA-N 1 0 491.459 6.023 1 0 JKAFRO COc1cc(-n2cnc3ccc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC[NH+]1CCCC1 ZINC000040764219 563148147 /nfs/dbraw/zinc/14/81/47/563148147.db2.gz QADPAXYXCJJBLF-UHFFFAOYSA-N 1 0 475.976 5.189 1 0 JKAFRO COc1ccc(N2CC[C@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040764461 563148319 /nfs/dbraw/zinc/14/83/19/563148319.db2.gz WWRSAUZXHNFXNT-LJQANCHMSA-N 1 0 463.405 5.387 1 0 JKAFRO COc1ccc(N2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040764462 563148345 /nfs/dbraw/zinc/14/83/45/563148345.db2.gz WWRSAUZXHNFXNT-IBGZPJMESA-N 1 0 463.405 5.387 1 0 JKAFRO CC(C)(C)c1ccc([C@]2(O)CCCC[C@H]2[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccc(F)cc2)cc1 ZINC000040764474 563148347 /nfs/dbraw/zinc/14/83/47/563148347.db2.gz BHYYIAOYGRTUCO-LUXHBGHRSA-N 1 0 478.652 5.249 1 0 JKAFRO COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1O[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000040766857 563148439 /nfs/dbraw/zinc/14/84/39/563148439.db2.gz RPQVCIZUAIGPBK-DQEYMECFSA-N 1 0 450.623 6.247 1 0 JKAFRO O=C(/C=C/c1ccccc1)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040822951 563148864 /nfs/dbraw/zinc/14/88/64/563148864.db2.gz JEYJGUOKCIBZEL-ZLIWIMPWSA-N 1 0 477.648 6.828 1 0 JKAFRO CCc1ccc(-c2nc3c(cccc3N3CC[NH+](CCOc4cccc5[nH]c(=S)[nH]c54)CC3)[nH]2)cc1 ZINC000040846341 563149282 /nfs/dbraw/zinc/14/92/82/563149282.db2.gz URTUULKRXQMCJT-UHFFFAOYSA-N 1 0 498.656 5.532 1 0 JKAFRO CC1=C(CC[NH+](C)C)c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2/C1=C\c1ccccc1 ZINC000040847927 563149424 /nfs/dbraw/zinc/14/94/24/563149424.db2.gz KRAFDWDSBDERGJ-FSGOGVSDSA-N 1 0 494.660 6.920 1 0 JKAFRO Cc1ccccc1-c1cc(=O)n(C)c2ccc([C@@]([NH3+])(c3cncn3C)c3ccc(Cl)cc3)cc12 ZINC000040847534 563149426 /nfs/dbraw/zinc/14/94/26/563149426.db2.gz LBLKWZCUZFIOQX-MUUNZHRXSA-N 1 0 468.988 5.151 1 0 JKAFRO C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccc(OCc5ccccc5)cc4)c3n2)CC1 ZINC000040848296 563149592 /nfs/dbraw/zinc/14/95/92/563149592.db2.gz FDFLJDVRYVFNNP-UHFFFAOYSA-N 1 0 478.518 5.646 1 0 JKAFRO COc1cccc(CCc2ccccc2OCCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000040848783 563149693 /nfs/dbraw/zinc/14/96/93/563149693.db2.gz RZUCSONCZIYHQH-UHFFFAOYSA-N 1 0 479.064 6.115 1 0 in-vitro JKAFRO COc1cccc(CCc2ccccc2OCCCCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000040860374 563149928 /nfs/dbraw/zinc/14/99/28/563149928.db2.gz BYCPKSCWJFHLHN-UHFFFAOYSA-N 1 0 476.636 5.991 1 0 in-vitro JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1cccnc1 ZINC000040862099 563150260 /nfs/dbraw/zinc/15/02/60/563150260.db2.gz JUPKPKCAKVWOKU-XHTPTPNFSA-N 1 0 452.598 5.823 1 0 JKAFRO COc1cccc(CCc2ccccc2OCCCCC[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000040864288 563150724 /nfs/dbraw/zinc/15/07/24/563150724.db2.gz YGTRMXKFXMERRE-UHFFFAOYSA-N 1 0 488.672 5.860 1 0 in-vitro JKAFRO CC(=O)O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000040865112 563150902 /nfs/dbraw/zinc/15/09/02/563150902.db2.gz JUIPKSHLJSGGLL-UBWSOHEKSA-N 1 0 467.613 5.057 1 0 JKAFRO COc1ccc(C2(C(N)=O)C[C@H]3CC[C@@H](C2)[N@H+]3C(c2ccccc2Cl)c2ccccc2Cl)cc1 ZINC000040877691 563152570 /nfs/dbraw/zinc/15/25/70/563152570.db2.gz AXRTXOCKWKDAKF-GJOKYCCCSA-N 1 0 495.450 6.142 1 0 JKAFRO CNC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040878256 563152617 /nfs/dbraw/zinc/15/26/17/563152617.db2.gz MLMRRWYWIYDQCC-QOEARLRASA-N 1 0 479.451 6.394 1 0 JKAFRO COc1ccc(CC2(O)C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](c2ccccc2Cl)c2ccc(C)cc2Cl)nc1 ZINC000040878543 563152680 /nfs/dbraw/zinc/15/26/80/563152680.db2.gz FCAIKVZTCKWJCO-USTCMPRJSA-N 1 0 497.466 6.395 1 0 JKAFRO Cc1ccnc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](c2ccccc2Cl)c2ccc(C)cc2Cl)c1 ZINC000040879685 563152862 /nfs/dbraw/zinc/15/28/62/563152862.db2.gz VAZISNGVORVHPA-KRGPNFCKSA-N 1 0 467.440 6.609 1 0 JKAFRO Cc1[nH]c(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1C[NH+]1CCCC1 ZINC000040891934 563153158 /nfs/dbraw/zinc/15/31/58/563153158.db2.gz BPUZAGSRPRFRLO-UHFFFAOYSA-N 1 0 458.480 5.945 1 0 JKAFRO NC(=[NH2+])c1ccc2[nH]c(-c3ccc4[nH]c(-c5ccccc5Oc5ccc(Cl)cc5)nc4c3)nc2c1 ZINC000040892507 563153385 /nfs/dbraw/zinc/15/33/85/563153385.db2.gz MLGPPTKMJRTXCX-UHFFFAOYSA-N 1 0 478.943 6.503 1 0 JKAFRO OCC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040893919 563153539 /nfs/dbraw/zinc/15/35/39/563153539.db2.gz ANLLPDOAFMYHJC-OIFTYBNWSA-N 1 0 452.425 6.640 1 0 JKAFRO CCNC(=O)c1cc(Oc2ccc3c(c2)[nH+]c(Nc2ccc(Br)cc2)n3C)ccn1 ZINC000040895802 563153867 /nfs/dbraw/zinc/15/38/67/563153867.db2.gz UVIZFSBFHNHFCO-UHFFFAOYSA-N 1 0 466.339 5.016 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC([NH+]2CCC(N(Cc3ccccc3)C(=O)C3CCC3)CC2)CC1 ZINC000040898300 563154286 /nfs/dbraw/zinc/15/42/86/563154286.db2.gz UXSBXUFFROKBKD-UHFFFAOYSA-N 1 0 487.688 5.201 1 0 JKAFRO O=C(Nc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccn1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000040898544 563154377 /nfs/dbraw/zinc/15/43/77/563154377.db2.gz FQVISFRAFHXJCA-VWLOTQADSA-N 1 0 487.525 6.277 1 0 JKAFRO Nc1ccc(-c2cccc(F)c2)cc1NC(=O)c1ccc(CN2CCC3(CCC[NH2+]3)CC2)cc1 ZINC000040900476 563154714 /nfs/dbraw/zinc/15/47/14/563154714.db2.gz SUAKAXXIPDSKLQ-UHFFFAOYSA-N 1 0 458.581 5.045 1 0 JKAFRO CN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000040913718 563154992 /nfs/dbraw/zinc/15/49/92/563154992.db2.gz PVQXHDHTHZOMLR-UHFFFAOYSA-N 1 0 489.885 5.145 1 0 JKAFRO CCc1c2ccc(OC)c(OCc3cc(C)ccc3C)c2c[n+]2c1-c1cc(OC)c(OC)cc1CC2 ZINC000040913675 563155034 /nfs/dbraw/zinc/15/50/34/563155034.db2.gz VYYMMVQZOAWILH-UHFFFAOYSA-N 1 0 484.616 6.134 1 0 JKAFRO Cc1nnc(C(C)C)n1C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCCC2)c2ccccc2)CC1 ZINC000040915408 563155435 /nfs/dbraw/zinc/15/54/35/563155435.db2.gz LRVJJFXKYYDGHP-NLFFAJNJSA-N 1 0 451.659 5.173 1 0 JKAFRO CC(C)=C1CCN=C1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C(=O)[C@@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000040919015 563156466 /nfs/dbraw/zinc/15/64/66/563156466.db2.gz RJYWZXYQLMDAPM-DKPJALMGSA-N 1 0 464.738 6.882 1 0 JKAFRO CCN(c1ccc2c(c1)C(CC[NH+](C)C)=C(C)C2)S(=O)(=O)c1sc(C)c2cc(Cl)ccc21 ZINC000040918883 563156499 /nfs/dbraw/zinc/15/64/99/563156499.db2.gz QOOLLVLTOGJPQU-UHFFFAOYSA-N 1 0 489.106 6.360 1 0 JKAFRO CC[NH2+]Cc1ccc(NC(=O)c2cc(C)n(Cc3cc(Cl)ccc3OCc3ccccc3)n2)cc1 ZINC000040934526 563157464 /nfs/dbraw/zinc/15/74/64/563157464.db2.gz PEMSPDCFSXJZNL-UHFFFAOYSA-N 1 0 489.019 5.834 1 0 JKAFRO O=C(NCC1CC1)c1ccc(F)c2c1C[C@@H]([N@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040937375 563158239 /nfs/dbraw/zinc/15/82/39/563158239.db2.gz XXNJBGZBTVVHER-JOCHJYFZSA-N 1 0 493.598 5.377 1 0 in-vitro JKAFRO O=S(=O)(NCCc1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1)c1ccc(Cl)cc1 ZINC000040939613 563158800 /nfs/dbraw/zinc/15/88/00/563158800.db2.gz YDDBKERALRTSKE-UHFFFAOYSA-N 1 0 455.023 5.124 1 0 JKAFRO C[N@H+](CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccccc1Br ZINC000040939688 563158809 /nfs/dbraw/zinc/15/88/09/563158809.db2.gz SWANLQOSPFMLHG-UHFFFAOYSA-N 1 0 451.383 6.597 1 0 JKAFRO COc1ccc(C[C@@H]2CN3C(=[NH+]C[C@@H]3C3CCCCC3)N2CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000040943157 563159065 /nfs/dbraw/zinc/15/90/65/563159065.db2.gz CIHXHDGIVIGQQQ-FXNJVNFGSA-N 1 0 475.721 6.149 1 0 JKAFRO C=CC(=O)Nc1cc2c(cc1OCCC[NH+]1CCC(C)CC1)ncnc2Cc1cccc(C)c1 ZINC000040950194 563159300 /nfs/dbraw/zinc/15/93/00/563159300.db2.gz HXIMPRFYWNJHQN-UHFFFAOYSA-N 1 0 458.606 5.154 1 0 JKAFRO CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCC[NH+](C)C ZINC000040951927 563159740 /nfs/dbraw/zinc/15/97/40/563159740.db2.gz NSXJHUPJHMCRHH-HXUWFJFHSA-N 1 0 456.599 5.727 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000040952713 563160054 /nfs/dbraw/zinc/16/00/54/563160054.db2.gz NKLAOPBORRSLGF-CTNGQTDRSA-N 1 0 496.561 6.021 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040954877 563160641 /nfs/dbraw/zinc/16/06/41/563160641.db2.gz MXQPTNWWWFZUHQ-UHFFFAOYSA-N 1 0 481.040 5.776 1 0 JKAFRO O=c1oc(-c2ccccc2)cc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccccc1 ZINC000040974415 563161744 /nfs/dbraw/zinc/16/17/44/563161744.db2.gz YKRMIMSOSYSSLB-UHFFFAOYSA-N 1 0 451.566 6.506 1 0 JKAFRO C[NH+]1CCN(c2ncnc3c2nc(-c2ccc(Cl)cc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000040974444 563161803 /nfs/dbraw/zinc/16/18/03/563161803.db2.gz QMTPGEKECKOWFW-UHFFFAOYSA-N 1 0 473.795 5.195 1 0 JKAFRO Clc1ccc([C@@H](Nc2ccnc3cc(Cl)ccc32)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000040975749 563161982 /nfs/dbraw/zinc/16/19/82/563161982.db2.gz SHXACPDVVQQBFH-MHZLTWQESA-N 1 0 462.424 7.339 1 0 JKAFRO CC(=O)CCCCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1 ZINC000042887847 563163280 /nfs/dbraw/zinc/16/32/80/563163280.db2.gz VFWKZLPTQCSNKW-MHZLTWQESA-N 1 0 486.660 5.782 1 0 JKAFRO C[C@H](NC(=O)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1 ZINC000042965951 563163854 /nfs/dbraw/zinc/16/38/54/563163854.db2.gz FILSLSBYZHHHLD-NRFANRHFSA-N 1 0 456.586 5.361 1 0 JKAFRO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000043011675 563164186 /nfs/dbraw/zinc/16/41/86/563164186.db2.gz VYTGODBEAVYNSQ-CQSZACIVSA-N 1 0 498.756 5.389 1 0 JKAFRO c1c2cc(C3=[NH+]CCN3)ccc2oc1-c1ccc(OCCCCCCOc2ccccc2)cc1 ZINC000043013905 563164326 /nfs/dbraw/zinc/16/43/26/563164326.db2.gz CAMBXCCDJRIKIL-UHFFFAOYSA-N 1 0 454.570 6.468 1 0 JKAFRO Cc1cc(C[NH2+]C(C)(C)C)ccc1[C@@H](C)Oc1cc(-c2cnc3ccccn32)sc1C(N)=O ZINC000043022152 563165110 /nfs/dbraw/zinc/16/51/10/563165110.db2.gz JUIWNZRHTWSHBL-QGZVFWFLSA-N 1 0 462.619 5.498 1 0 JKAFRO CC[C@H](NC(=O)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1 ZINC000043061414 563165847 /nfs/dbraw/zinc/16/58/47/563165847.db2.gz QCPXRXKBSRYKGN-MHZLTWQESA-N 1 0 470.613 5.751 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@H]1c1cccnc1 ZINC000043069913 563166222 /nfs/dbraw/zinc/16/62/22/563166222.db2.gz SRXKNIWFNXRRCM-VWLOTQADSA-N 1 0 497.565 5.402 1 0 JKAFRO C[C@@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccc(C[NH2+]C2CCCC2)cc1Cl ZINC000043072459 563166422 /nfs/dbraw/zinc/16/64/22/563166422.db2.gz KTMDWHADYAAKOJ-MRXNPFEDSA-N 1 0 495.048 5.987 1 0 JKAFRO C[C@@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccc(C[NH2+]C2CC2)cc1Cl ZINC000043074451 563166602 /nfs/dbraw/zinc/16/66/02/563166602.db2.gz AQPXGMDXSUVRHV-CQSZACIVSA-N 1 0 466.994 5.207 1 0 JKAFRO COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(CCCCCC[NH+](C)C)c2c1 ZINC000043074754 563166628 /nfs/dbraw/zinc/16/66/28/563166628.db2.gz YCHNGJQUGNRMSG-UHFFFAOYSA-N 1 0 468.594 5.029 1 0 JKAFRO CC(C)n1c(C[NH2+]C2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043078985 563166888 /nfs/dbraw/zinc/16/68/88/563166888.db2.gz CCBNYIGVRSZDTG-UHFFFAOYSA-N 1 0 462.852 7.790 1 0 JKAFRO NC(=O)C1(c2ccc(F)cn2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000043079939 563167008 /nfs/dbraw/zinc/16/70/08/563167008.db2.gz BZGMTXHQYFWFDV-PQJFKPCWSA-N 1 0 484.402 5.667 1 0 JKAFRO CCC(CC)n1c(C[NH2+]C2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043121698 563167613 /nfs/dbraw/zinc/16/76/13/563167613.db2.gz NDWHYFJYVYBEIV-UHFFFAOYSA-N 1 0 490.906 8.571 1 0 JKAFRO CC1CC[NH+](C2CCN(c3cc(C(=O)Nc4cccc(Cl)c4)cc(C(F)(F)F)c3)CC2)CC1 ZINC000043201041 563168493 /nfs/dbraw/zinc/16/84/93/563168493.db2.gz RDLZVPJASZBOHT-UHFFFAOYSA-N 1 0 479.974 6.312 1 0 JKAFRO c1ccc(CP(CC[PH+](Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1 ZINC000043781149 563171005 /nfs/dbraw/zinc/17/10/05/563171005.db2.gz ACCBLPAIUGRGGA-UHFFFAOYSA-N 1 0 454.534 8.751 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@@H+](Cc3ccc(O)cc3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045162476 563172846 /nfs/dbraw/zinc/17/28/46/563172846.db2.gz KCEIKCQOELYVTK-UHFFFAOYSA-N 1 0 484.427 5.659 1 0 JKAFRO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)cc1 ZINC000045167161 563173009 /nfs/dbraw/zinc/17/30/09/563173009.db2.gz HMMQCEWWNCRIKR-UHFFFAOYSA-N 1 0 493.554 7.276 1 0 JKAFRO COCC[NH2+]Cc1ncsc1-c1ccc2c(c1)nccc2Nc1cc(O)c(Cl)cc1F ZINC000045167367 563173144 /nfs/dbraw/zinc/17/31/44/563173144.db2.gz BERTZRPYUGIHBU-UHFFFAOYSA-N 1 0 458.946 5.336 1 0 JKAFRO CCCC[C@H](O)c1cc(O)c2c(c1)OC(C)(C)C[C@@H]2C1=CC[N@H+](Cc2ccc3ccccc3c2)CC1 ZINC000045168426 563173674 /nfs/dbraw/zinc/17/36/74/563173674.db2.gz AMLMFZFYSYRFNX-IZLXSDGUSA-N 1 0 485.668 7.246 1 0 JKAFRO C[NH+](C)CCNCc1nc(-c2ccc3c(c2)nccc3Nc2ccc(Cl)cc2F)cs1 ZINC000045168330 563173733 /nfs/dbraw/zinc/17/37/33/563173733.db2.gz GXXYHCWOEVLDOQ-UHFFFAOYSA-N 1 0 455.990 5.546 1 0 JKAFRO Clc1ccc2nccc(N3CCC(C[NH+]4CCC(c5c[nH]c6ccccc65)CC4)CC3)c2c1 ZINC000045168767 563173895 /nfs/dbraw/zinc/17/38/95/563173895.db2.gz FWTLDSLGEGIFGL-UHFFFAOYSA-N 1 0 459.037 6.466 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 ZINC000045168854 563173909 /nfs/dbraw/zinc/17/39/09/563173909.db2.gz FNUBIXIKDLRKFX-FQEVSTJZSA-N 1 0 450.623 6.104 1 0 JKAFRO COc1cccc(-c2ccc(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccc(C(F)(F)F)c4)C3)s2)c1 ZINC000045168787 563173915 /nfs/dbraw/zinc/17/39/15/563173915.db2.gz PESSEBHHUBESLP-IBGZPJMESA-N 1 0 488.575 6.085 1 0 JKAFRO O=C(/C=C/c1ccc(O)cc1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045168846 563173950 /nfs/dbraw/zinc/17/39/50/563173950.db2.gz FVTVWAPXRVACHN-NTEUORMPSA-N 1 0 457.618 5.441 1 0 JKAFRO Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]Cc5ccc(S(C)(=O)=O)cc5)cc4)cc3)nc21 ZINC000045169068 563174112 /nfs/dbraw/zinc/17/41/12/563174112.db2.gz BBTKDYGVSHZRNY-UHFFFAOYSA-N 1 0 481.621 5.899 1 0 JKAFRO C[N@@H+]1CCC[C@H]1COc1ccc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Cl ZINC000045186829 563174214 /nfs/dbraw/zinc/17/42/14/563174214.db2.gz VOTQNGZIETYHQC-OALUTQOASA-N 1 0 496.866 5.124 1 0 JKAFRO C[C@H](Cc1ccc(OCCOc2ccccc2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000045186632 563174247 /nfs/dbraw/zinc/17/42/47/563174247.db2.gz HKIIYLVGOGVZLG-CLOONOSVSA-N 1 0 459.508 5.417 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@H+](CC3CCCCC3)CC2)c1)c1cc2ccccc2s1 ZINC000045187343 563174294 /nfs/dbraw/zinc/17/42/94/563174294.db2.gz ZEGIHLAFLYEKDW-UHFFFAOYSA-N 1 0 461.675 6.242 1 0 JKAFRO OCC1CC[NH+](Cc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)CC1 ZINC000045186979 563174296 /nfs/dbraw/zinc/17/42/96/563174296.db2.gz UVLKGQAJSSFOHQ-UHFFFAOYSA-N 1 0 465.519 6.120 1 0 JKAFRO CC(=O)Nc1ccc(C[N@H+](Cc2cccc(OC(C)(C)C)c2)Cc2ccc3c(c2)OCCO3)cc1 ZINC000045187673 563174582 /nfs/dbraw/zinc/17/45/82/563174582.db2.gz MVJVRTYIDVNLHU-UHFFFAOYSA-N 1 0 474.601 5.796 1 0 JKAFRO O=C(c1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1)N1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000045188089 563174724 /nfs/dbraw/zinc/17/47/24/563174724.db2.gz RFMJUAGNJATGQS-UIOOFZCWSA-N 1 0 498.602 5.097 1 0 JKAFRO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)cc2)c1 ZINC000045188560 563174820 /nfs/dbraw/zinc/17/48/20/563174820.db2.gz KIQZCUDDSIOPTM-UHFFFAOYSA-N 1 0 461.565 6.282 1 0 JKAFRO C[C@H](Cc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1)[NH2+]C[C@@H](O)c1ccccc1 ZINC000045188581 563174934 /nfs/dbraw/zinc/17/49/34/563174934.db2.gz PNOVWAYGLVOJSX-RNWIMVQKSA-N 1 0 465.593 5.887 1 0 JKAFRO O=C(Nc1cccc(OC2CC[NH+](Cc3ccc(F)cc3)CC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000045188690 563174959 /nfs/dbraw/zinc/17/49/59/563174959.db2.gz KCACOHOZCBWHHA-UHFFFAOYSA-N 1 0 472.482 6.140 1 0 JKAFRO Cc1oc(-c2ccccc2)cc1C(=O)NC1CCC([NH+]2CCC(c3ccccc3C)CC2)CC1 ZINC000045188990 563175073 /nfs/dbraw/zinc/17/50/73/563175073.db2.gz QIYHXJSUNHTCNX-UHFFFAOYSA-N 1 0 456.630 6.484 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CC[N@@H+]2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000045188851 563175092 /nfs/dbraw/zinc/17/50/92/563175092.db2.gz VSUXGJRKCSBWTE-SOFGYWHQSA-N 1 0 482.455 6.175 1 0 JKAFRO c1[nH]c2nc(NC3CCCC3)ncc2c1-c1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000045189524 563175183 /nfs/dbraw/zinc/17/51/83/563175183.db2.gz XOFSUCKKXIEZQZ-UHFFFAOYSA-N 1 0 451.618 6.359 1 0 JKAFRO C[C@@H](Cc1ccc(OCCCCOc2ccccc2)cc1)[NH2+]CCc1ccc(Oc2ccccc2)cc1 ZINC000045190013 563175405 /nfs/dbraw/zinc/17/54/05/563175405.db2.gz MQOONXGYWYJEEH-MHZLTWQESA-N 1 0 495.663 7.480 1 0 JKAFRO Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)C4(CO5)CC[NH2+]CC4)cc3)c(C)c2)no1 ZINC000045190070 563175438 /nfs/dbraw/zinc/17/54/38/563175438.db2.gz VFYNPEGOXIXJHF-UHFFFAOYSA-N 1 0 480.568 5.286 1 0 JKAFRO O=C(/C=C/c1cc(F)c(F)cc1F)N1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045190542 563175509 /nfs/dbraw/zinc/17/55/09/563175509.db2.gz FJSYAVCJEGKGAS-AATRIKPKSA-N 1 0 481.562 5.717 1 0 JKAFRO O=C1OC2(CN1C[C@H]1CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C1)c1ccccc1-c1ccccc12 ZINC000045190279 563175530 /nfs/dbraw/zinc/17/55/30/563175530.db2.gz UZSXPNUFEKCDID-QHCPKHFHSA-N 1 0 476.580 5.071 1 0 JKAFRO S=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000045190545 563175559 /nfs/dbraw/zinc/17/55/59/563175559.db2.gz DCPAYMCHOPYEMH-UHFFFAOYSA-N 1 0 489.516 6.811 1 0 JKAFRO C[NH+]1CCC(C(=O)Nc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)CC1 ZINC000045191234 563175807 /nfs/dbraw/zinc/17/58/07/563175807.db2.gz GTBSFDXOUJNQNJ-UHFFFAOYSA-N 1 0 484.547 6.258 1 0 JKAFRO O=C(Nc1cccc(C[N@@H+]2CCCN(Cc3ncc[nH]3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045191545 563175899 /nfs/dbraw/zinc/17/58/99/563175899.db2.gz RNQVFZAHBKZEOK-UHFFFAOYSA-N 1 0 465.601 5.037 1 0 JKAFRO CCCC[NH+](CCCC)CCNC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)c(OCC)c1 ZINC000045191440 563175940 /nfs/dbraw/zinc/17/59/40/563175940.db2.gz FZZRPQONWIWGBX-UHFFFAOYSA-N 1 0 471.045 5.914 1 0 JKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3cc4cc(C(C)C)ccc4[nH]3)CC2)CC1 ZINC000045191455 563175949 /nfs/dbraw/zinc/17/59/49/563175949.db2.gz KSVUHLUSPIDRCL-UHFFFAOYSA-N 1 0 473.661 6.221 1 0 JKAFRO Cc1cccc2[nH]c(-c3ccc(-c4ccc(NC(=O)[C@H](C)C[NH+]5CCN(C)CC5)cc4)s3)nc21 ZINC000045191437 563175951 /nfs/dbraw/zinc/17/59/51/563175951.db2.gz FIPNPIXGSYHJAY-LJQANCHMSA-N 1 0 473.646 5.089 1 0 JKAFRO Cc1cc(N(C)[C@H]2CC[N@H+](CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)n1 ZINC000045192036 563176014 /nfs/dbraw/zinc/17/60/14/563176014.db2.gz FTTHIHHALRZFCD-NRFANRHFSA-N 1 0 458.448 5.382 1 0 JKAFRO OCC1CC[NH+](Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cc2)CC1 ZINC000045191863 563176022 /nfs/dbraw/zinc/17/60/22/563176022.db2.gz PUSOFQJHNVHSII-UHFFFAOYSA-N 1 0 465.519 6.120 1 0 JKAFRO O=C(NC[C@H]1CC[N@H+](Cc2ccsc2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045191790 563176059 /nfs/dbraw/zinc/17/60/59/563176059.db2.gz RBSWAYQGVZHXTI-OAHLLOKOSA-N 1 0 450.551 5.747 1 0 JKAFRO Cc1cc(-c2ccc(C[NH2+]CCc3cccs3)cc2)ccc1S(=O)(=O)NCc1ccccc1 ZINC000045192355 563176245 /nfs/dbraw/zinc/17/62/45/563176245.db2.gz HJXSOVMYXRSEEC-UHFFFAOYSA-N 1 0 476.667 5.534 1 0 JKAFRO Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)CC2)s1 ZINC000045192626 563176342 /nfs/dbraw/zinc/17/63/42/563176342.db2.gz WIUHUZDLSTZACW-UHFFFAOYSA-N 1 0 454.039 5.670 1 0 JKAFRO Cc1cc(NC[C@H]2CC[N@H+](CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)n1 ZINC000045192608 563176368 /nfs/dbraw/zinc/17/63/68/563176368.db2.gz KYIBBTJIIFUPAW-LJQANCHMSA-N 1 0 458.448 5.605 1 0 JKAFRO CC(C)(C)c1ccc(NC(=O)c2cccc(CN3CCC[N@H+](CC4CCCCC4)CC3)c2)cc1 ZINC000045192597 563176412 /nfs/dbraw/zinc/17/64/12/563176412.db2.gz AQOOYYDOMGEFAF-UHFFFAOYSA-N 1 0 461.694 6.324 1 0 JKAFRO COC(=O)c1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)c2)c1 ZINC000045192964 563176546 /nfs/dbraw/zinc/17/65/46/563176546.db2.gz MMMCXPSEYDXCTL-UHFFFAOYSA-N 1 0 461.565 6.282 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nc3cc4ccccc4cc3[nH]2)s1 ZINC000045192910 563176565 /nfs/dbraw/zinc/17/65/65/563176565.db2.gz PHAKMUUMHDBVBU-UHFFFAOYSA-N 1 0 466.610 5.839 1 0 JKAFRO COc1ccc(CNC(=O)Nc2cc3cc(-c4ccc(C[NH+](C)C)cc4)ccc3n3c(C)nnc23)cc1 ZINC000045193593 563176641 /nfs/dbraw/zinc/17/66/41/563176641.db2.gz PNNTYJFALKFLEK-UHFFFAOYSA-N 1 0 494.599 5.250 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(-c4ccccc4Cl)cs3)C2)cc1 ZINC000045193799 563176774 /nfs/dbraw/zinc/17/67/74/563176774.db2.gz XNECPWQLKHFHMF-QHCPKHFHSA-N 1 0 481.105 7.151 1 0 JKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)c2)c1 ZINC000045194022 563176857 /nfs/dbraw/zinc/17/68/57/563176857.db2.gz XZXXYSCLOANLPW-UHFFFAOYSA-N 1 0 498.630 7.767 1 0 JKAFRO COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1C[NH+]1CCC(O)CC1 ZINC000045194059 563176868 /nfs/dbraw/zinc/17/68/68/563176868.db2.gz CDSCNHBFTXCHCK-UHFFFAOYSA-N 1 0 450.966 5.225 1 0 JKAFRO [NH3+]C[C@H]1CCCN1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045194223 563176956 /nfs/dbraw/zinc/17/69/56/563176956.db2.gz RZTGJOWDCYUBSS-JOCHJYFZSA-N 1 0 450.508 5.839 1 0 JKAFRO O=C(/C=C/c1cccc(F)c1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045194430 563177074 /nfs/dbraw/zinc/17/70/74/563177074.db2.gz GECXKSASPKSYBQ-JLHYYAGUSA-N 1 0 459.609 5.875 1 0 JKAFRO CC[C@H]1C[N@H+](Cc2ccccc2Br)CC[C@H]1CCCc1ccnc2ccc(O)cc12 ZINC000045194616 563177177 /nfs/dbraw/zinc/17/71/77/563177177.db2.gz JYUUSRDURWHKET-VQTJNVASSA-N 1 0 467.451 6.574 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045194723 563177200 /nfs/dbraw/zinc/17/72/00/563177200.db2.gz BSYLHDDLKAERKA-RUZDIDTESA-N 1 0 481.105 7.151 1 0 JKAFRO CC(=O)Nc1cccc(C[NH2+]Cc2ccc(-c3cnc(N4CCC[C@@H](c5ccccc5)C4)nc3)cc2)c1 ZINC000045195736 563177562 /nfs/dbraw/zinc/17/75/62/563177562.db2.gz LMMSGRVLWAYDKC-MUUNZHRXSA-N 1 0 491.639 5.776 1 0 JKAFRO CCCCCCNC(=O)[C@H]1Cc2c3cc(C)ccc3[nH]c2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000045196086 563177833 /nfs/dbraw/zinc/17/78/33/563177833.db2.gz WYBQYCOXVUPKRN-MUUNZHRXSA-N 1 0 486.704 5.221 1 0 JKAFRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccncc2)c(-c2cc3ccccc3[nH]2)o1)c1ccccc1 ZINC000045196197 563177846 /nfs/dbraw/zinc/17/78/46/563177846.db2.gz QKFPZNHMFRECQN-VWLOTQADSA-N 1 0 450.542 5.523 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3ccc4c(c3)-c3nocc3[C@@H](C)O4)CC2)CC1 ZINC000045201764 563178428 /nfs/dbraw/zinc/17/84/28/563178428.db2.gz MQSFGRICGJTZAO-QUVATAORSA-N 1 0 485.628 6.024 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc3c(c2)CCN3[C@@H]2CC[N@H+](Cc3csc4ccccc34)C2)no1 ZINC000045202205 563178556 /nfs/dbraw/zinc/17/85/56/563178556.db2.gz SEGGFNJJZJRKHA-OAQYLSRUSA-N 1 0 458.587 5.087 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc3c(c2)CCN3[C@H]2CC[N@H+](Cc3csc4ccccc34)C2)no1 ZINC000045202207 563178575 /nfs/dbraw/zinc/17/85/75/563178575.db2.gz SEGGFNJJZJRKHA-NRFANRHFSA-N 1 0 458.587 5.087 1 0 JKAFRO CNc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)cc1 ZINC000045202631 563178824 /nfs/dbraw/zinc/17/88/24/563178824.db2.gz SVMQLHUYXBCEHT-UHFFFAOYSA-N 1 0 486.541 7.247 1 0 JKAFRO O=C(/C=C/c1cccc2ccccc12)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045202597 563178827 /nfs/dbraw/zinc/17/88/27/563178827.db2.gz BMMRCXDMRSOLOI-SAPNQHFASA-N 1 0 491.679 6.889 1 0 JKAFRO O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc([C@@H]2CCC[N@H+](Cc3ccc4[nH]cnc4c3)C2)cc1 ZINC000045202655 563178856 /nfs/dbraw/zinc/17/88/56/563178856.db2.gz NZHMAZFEJLBJTF-JOCHJYFZSA-N 1 0 493.438 6.179 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4cccc(C[NH2+]CCc5ccncc5)c4)c3)nc2c1 ZINC000045202941 563179077 /nfs/dbraw/zinc/17/90/77/563179077.db2.gz SJOQKIQYUNRFFO-UHFFFAOYSA-N 1 0 472.514 6.643 1 0 JKAFRO Cc1ccc(NS(=O)(=O)c2ccc([C@@H](C)N3CCC([NH+]4CCCCC4)CC3)cc2)cc1C ZINC000045210750 563179479 /nfs/dbraw/zinc/17/94/79/563179479.db2.gz UEKSMIATYWACFP-JOCHJYFZSA-N 1 0 455.668 5.116 1 0 JKAFRO O=C(Nc1ccccc1)N1CCC(C[N@@H+]2CCOC(c3ccccc3)(c3ccccc3)C2)CC1 ZINC000045210675 563179490 /nfs/dbraw/zinc/17/94/90/563179490.db2.gz RPWPIOSYVSMMRJ-UHFFFAOYSA-N 1 0 455.602 5.207 1 0 JKAFRO O[C@H](c1cccc(OCc2ccccc2)c1)[C@@H]1C[N@H+](CCc2ccccc2)CC[C@]1(O)c1ccccc1 ZINC000045211269 563179582 /nfs/dbraw/zinc/17/95/82/563179582.db2.gz SFBQGLRJYHDQJW-DSPMFFIESA-N 1 0 493.647 5.751 1 0 JKAFRO CN(CC[NH+](C)C)Cc1cccc(-c2ccc3c(c2)nccc3Nc2ccc(F)cc2Cl)c1 ZINC000045211111 563179588 /nfs/dbraw/zinc/17/95/88/563179588.db2.gz RXNZKWDNHJATPV-UHFFFAOYSA-N 1 0 463.000 6.431 1 0 JKAFRO O[C@H](c1cccc(OCc2ccccc2)c1)[C@@H]1C[N@H+](CCc2ccccc2)CC[C@@]1(O)c1ccccc1 ZINC000045211273 563179674 /nfs/dbraw/zinc/17/96/74/563179674.db2.gz SFBQGLRJYHDQJW-WIHCDAFUSA-N 1 0 493.647 5.751 1 0 JKAFRO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)cc2)c1 ZINC000045226913 563179867 /nfs/dbraw/zinc/17/98/67/563179867.db2.gz XEOHHYXKVANKOQ-UHFFFAOYSA-N 1 0 461.565 6.282 1 0 JKAFRO O=C(/C=C/c1ccc2ccccc2c1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045227123 563179875 /nfs/dbraw/zinc/17/98/75/563179875.db2.gz WWJCPGXLFDQWMF-FOWTUZBSSA-N 1 0 491.679 6.889 1 0 JKAFRO Cc1cc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@@H](C)[NH+](C)[C@H](C)C5)cc34)cc2C)cc(C)n1 ZINC000045227133 563179882 /nfs/dbraw/zinc/17/98/82/563179882.db2.gz MBYXZTHDGYFIBC-FGZHOGPDSA-N 1 0 482.628 6.201 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@H+](CCc3ccccc3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045227159 563179912 /nfs/dbraw/zinc/17/99/12/563179912.db2.gz JARDOSVZAPRDFH-UHFFFAOYSA-N 1 0 482.455 5.996 1 0 JKAFRO CC(C)NC(=O)c1cccc(-c2cccc(OCC[N@@H+]3CCSC[C@H]3c3ccccc3)c2)c1 ZINC000045227272 563180025 /nfs/dbraw/zinc/18/00/25/563180025.db2.gz STAQIPUZPUJITP-MHZLTWQESA-N 1 0 460.643 5.661 1 0 JKAFRO C[C@@H]1C[C@H]([NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c2cc(Cl)c(Cl)c(Cl)c21 ZINC000045227725 563180228 /nfs/dbraw/zinc/18/02/28/563180228.db2.gz VPQQBXYJMKGVQV-PXAZEXFGSA-N 1 0 450.797 6.128 1 0 JKAFRO [NH3+]C[C@H]1CCCN1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045228197 563180270 /nfs/dbraw/zinc/18/02/70/563180270.db2.gz JBXUQRUWMCTWJY-GOSISDBHSA-N 1 0 456.537 5.900 1 0 JKAFRO CC(C)c1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000045228870 563180518 /nfs/dbraw/zinc/18/05/18/563180518.db2.gz SEPJDEZFAGHIEX-DEOSSOPVSA-N 1 0 478.614 5.009 1 0 JKAFRO CCCCCCNC(=O)[C@@H]1Cc2c3cc(C)ccc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000045228747 563180531 /nfs/dbraw/zinc/18/05/31/563180531.db2.gz VJRLFRMVGGWPHK-MHZLTWQESA-N 1 0 472.677 5.178 1 0 JKAFRO C[NH+](C)CCOc1ccnc2ccc(NC(=O)Cc3ccc(-c4ccncc4)c4ccccc34)cc21 ZINC000045228720 563180564 /nfs/dbraw/zinc/18/05/64/563180564.db2.gz WVEIXHPPJTWLAI-UHFFFAOYSA-N 1 0 476.580 5.572 1 0 JKAFRO COc1ccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)cc1 ZINC000045230071 563181066 /nfs/dbraw/zinc/18/10/66/563181066.db2.gz CAXURWNKBYDHEM-UHFFFAOYSA-N 1 0 487.525 7.214 1 0 JKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045230189 563181081 /nfs/dbraw/zinc/18/10/81/563181081.db2.gz VOTUGJQDESGIPM-UHFFFAOYSA-N 1 0 484.603 7.459 1 0 JKAFRO C[C@H](Cc1ccc(OCc2ccccc2)c(Cl)c1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000045230893 563181303 /nfs/dbraw/zinc/18/13/03/563181303.db2.gz XLFXFVTYEMKFBE-UZUQRXQVSA-N 1 0 463.927 6.192 1 0 JKAFRO CC(C)c1ccc(S(=O)(=O)Nc2cccc(CCN3CCC([NH+]4CCCCC4)CC3)c2)cc1 ZINC000045231203 563181372 /nfs/dbraw/zinc/18/13/72/563181372.db2.gz SAHRGLCEKJVPRI-UHFFFAOYSA-N 1 0 469.695 5.104 1 0 JKAFRO C[C@@H](Cc1ccc(OCc2ccccc2)c(Cl)c1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000045230882 563181397 /nfs/dbraw/zinc/18/13/97/563181397.db2.gz XLFXFVTYEMKFBE-SBUREZEXSA-N 1 0 463.927 6.192 1 0 JKAFRO CCCC[NH+]1CCC(C(=O)Nc2ccc(CNc3nc(N(C)C)nc4cc(C)ccc43)cc2)CC1 ZINC000045245861 563181879 /nfs/dbraw/zinc/18/18/79/563181879.db2.gz GLOWDMOLCCSLRC-UHFFFAOYSA-N 1 0 474.653 5.067 1 0 JKAFRO COc1ccccc1C[NH2+]CCCCCCCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000045255359 563182628 /nfs/dbraw/zinc/18/26/28/563182628.db2.gz RGIONNDUZFOFJS-UHFFFAOYSA-N 1 0 458.602 5.965 1 0 JKAFRO Cc1ccc(F)c(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)c(-c3ccnn3C)c2)c1 ZINC000045259603 563183059 /nfs/dbraw/zinc/18/30/59/563183059.db2.gz FIMLYZCZFCWHQQ-UHFFFAOYSA-N 1 0 451.546 5.043 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(N)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045286129 563183965 /nfs/dbraw/zinc/18/39/65/563183965.db2.gz KVPYTQSFSGJMNO-UHFFFAOYSA-N 1 0 456.634 5.554 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(C(C)=O)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045290922 563184962 /nfs/dbraw/zinc/18/49/62/563184962.db2.gz JSLRBQOORJVJEV-UHFFFAOYSA-N 1 0 483.656 6.174 1 0 JKAFRO COc1ccc(NC(=O)[C@H](Cc2ccccc2)Nc2cc(C)[nH+]c(NCc3ccccc3C)n2)cc1 ZINC000045301374 563185765 /nfs/dbraw/zinc/18/57/65/563185765.db2.gz RMXSZGNGLZRUQG-SANMLTNESA-N 1 0 481.600 5.376 1 0 JKAFRO CSc1cccc(Nc2nc3ccc(S(=O)(=O)NCC(C)C)cc3n2[C@@H](C)C(C)C)c1 ZINC000045302203 563186184 /nfs/dbraw/zinc/18/61/84/563186184.db2.gz ZEDAKOUFMXQCBL-KRWDZBQOSA-N 1 0 460.669 5.653 1 0 JKAFRO CC(C)c1ccc(NC(=O)c2cccc(CN3CCC[N@H+](Cc4cccc(O)c4)CC3)c2)cc1 ZINC000045302185 563186186 /nfs/dbraw/zinc/18/61/86/563186186.db2.gz CARMOQAHNHWCDB-UHFFFAOYSA-N 1 0 457.618 5.476 1 0 JKAFRO 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ZUUMOAYINRNMPU-VVKVCHCXSA-N 1 0 470.698 5.833 1 0 biogenic,in-vitro JKAFRO CCCCCC1(CCCCC)[NH2+][C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3ccccc3[nH]c21 ZINC000003940595 560191519 /nfs/dbraw/zinc/19/15/19/560191519.db2.gz DGSMSHNIDMODOQ-AREMUKBSSA-N 1 0 454.662 7.801 1 0 in-vitro JKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1)c1ccc(NCC[NH+]2CCCCC2)cc1 ZINC000000581542 562918030 /nfs/dbraw/zinc/91/80/30/562918030.db2.gz DIARJXFFVNLGOJ-UHFFFAOYSA-N 1 0 472.610 6.108 1 0 JKAFRO O=S(=O)(Nc1ccc2c(c1)onc2CCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000000605785 562918705 /nfs/dbraw/zinc/91/87/05/562918705.db2.gz RRYREXCAJLJMCL-UHFFFAOYSA-N 1 0 475.614 5.473 1 0 JKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000001488729 562920253 /nfs/dbraw/zinc/92/02/53/562920253.db2.gz NAQKKRDQKSXZSM-KQWKBXPTSA-N 1 0 464.437 5.786 1 0 JKAFRO FC(F)(F)c1ccccc1CO[C@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000001534340 562920509 /nfs/dbraw/zinc/92/05/09/562920509.db2.gz LALMBRZEIUEEIY-SVBPBHIXSA-N 1 0 451.532 6.517 1 0 JKAFRO CC(C)Oc1ccccc1N1CC[NH+](Cc2cccc(CN3C(=O)CC4(CCCC4)CC3=O)c2)CC1 ZINC000001538978 562920769 /nfs/dbraw/zinc/92/07/69/562920769.db2.gz LRZBNYMVRJJJKU-UHFFFAOYSA-N 1 0 489.660 5.005 1 0 JKAFRO Oc1ccc(-c2sc3cc(O)ccc3c2Sc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000001543913 562920962 /nfs/dbraw/zinc/92/09/62/562920962.db2.gz QIMYZZHOPWTWBW-UHFFFAOYSA-N 1 0 477.651 6.995 1 0 JKAFRO Oc1ccc2c(ccc3c2N(c2ccc(OCC[NH+]4CCCCC4)cc2)Cc2cc(O)ccc2-3)c1 ZINC000001545281 562921043 /nfs/dbraw/zinc/92/10/43/562921043.db2.gz WDHIYKZHKBKYCY-UHFFFAOYSA-N 1 0 466.581 6.434 1 0 JKAFRO COc1ccc(Cc2nc3cc(C(F)(F)F)ccc3n2C[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000001656572 562922812 /nfs/dbraw/zinc/92/28/12/562922812.db2.gz TZCMOUOFLGIXFI-AUSIDOKSSA-N 1 0 457.540 5.919 1 0 JKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@@H](O)[C@H]2CCCC[NH2+]2)c2cccc(C(F)(F)F)c2n1 ZINC000001728530 562923279 /nfs/dbraw/zinc/92/32/79/562923279.db2.gz XONJCGFSTUUXGQ-WIYYLYMNSA-N 1 0 497.439 5.700 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000001730389 562923286 /nfs/dbraw/zinc/92/32/86/562923286.db2.gz XZEUAXYWNKYKPL-FQLXRVMXSA-N 1 0 457.614 6.257 1 0 in-man JKAFRO Fc1ccc(C(c2ccc(F)cc2)=C2CC[NH+](CCc3ccc4[nH]c(=S)[nH]c4c3)CC2)cc1 ZINC000001863817 562923890 /nfs/dbraw/zinc/92/38/90/562923890.db2.gz JACBHJSHCJVLPK-UHFFFAOYSA-N 1 0 461.581 6.644 1 0 JKAFRO CCOC(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(O)cc3)c2c1 ZINC000001893939 562923982 /nfs/dbraw/zinc/92/39/82/562923982.db2.gz SJKDPDRSSFPLGD-UHFFFAOYSA-N 1 0 484.640 6.489 1 0 JKAFRO Oc1cccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000001903431 562924098 /nfs/dbraw/zinc/92/40/98/562924098.db2.gz RIUHJWNFKOJLRS-UHFFFAOYSA-N 1 0 455.554 6.575 1 0 JKAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(Oc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000001910143 562924175 /nfs/dbraw/zinc/92/41/75/562924175.db2.gz DIXGAFGOLYBWGT-SANMLTNESA-N 1 0 495.664 5.548 1 0 JKAFRO O[C@H](C[NH2+]CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2[nH]ccc21 ZINC000002004797 562924386 /nfs/dbraw/zinc/92/43/86/562924386.db2.gz WAUYXPFUCWJECI-BWKNWUBXSA-N 1 0 484.518 5.726 1 0 JKAFRO OCCOC1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000003598320 562927337 /nfs/dbraw/zinc/92/73/37/562927337.db2.gz XHNPXDMSCKEWJZ-UHFFFAOYSA-N 1 0 452.542 5.172 1 0 in-man JKAFRO O[C@H](COc1cccc2ncccc21)C[NH+]1CCC(=C(c2ccccc2)c2ccccc2)CC1 ZINC000003775124 562927714 /nfs/dbraw/zinc/92/77/14/562927714.db2.gz FGYCYFFGOSCENZ-SANMLTNESA-N 1 0 450.582 5.572 1 0 JKAFRO FC(F)(F)c1ccccc1CO[C@@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000003780984 562927793 /nfs/dbraw/zinc/92/77/93/562927793.db2.gz LALMBRZEIUEEIY-KAYWLYCHSA-N 1 0 451.532 6.517 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2c3ccccc3[nH]c2C(C)C)cc1 ZINC000003787711 562928077 /nfs/dbraw/zinc/92/80/77/562928077.db2.gz GVFMHYJJOIJTTD-UHFFFAOYSA-N 1 0 484.706 6.795 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000003789164 562928174 /nfs/dbraw/zinc/92/81/74/562928174.db2.gz BHRXKDVRJKFVJL-FFCVWOAGSA-N 1 0 481.681 5.498 1 0 JKAFRO O=C(/C=C/c1cccnc1)NCCCC[NH+]1CCC(=C(c2ccccc2)c2ccccc2)CC1 ZINC000003796916 562928285 /nfs/dbraw/zinc/92/82/85/562928285.db2.gz IYKLOEFASHQYBS-FOCLMDBBSA-N 1 0 451.614 5.589 1 0 JKAFRO C[N@@H+](CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2Oc2ccccc21 ZINC000003816238 562928864 /nfs/dbraw/zinc/92/88/64/562928864.db2.gz FBLFUQVNJABTNK-UHFFFAOYSA-N 1 0 491.582 5.263 1 0 JKAFRO C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)c(F)c3S[C@@H]2c2ccc(O)cc2)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000003819178 562929113 /nfs/dbraw/zinc/92/91/13/562929113.db2.gz AKAPBPNIIAPPPT-JDEMJVTFSA-N 1 0 495.616 6.313 1 0 JKAFRO C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)[N@@H+]1CC[C@H](C)C1 ZINC000003819176 562929140 /nfs/dbraw/zinc/92/91/40/562929140.db2.gz HQIHZXMANDEWIH-UXHLOXSISA-N 1 0 477.626 6.174 1 0 JKAFRO NC(=[NH2+])c1cccc(Cn2c3ccccc3c(Cl)c2C(=O)NCc2cccc3ccccc32)c1 ZINC000003831897 562929593 /nfs/dbraw/zinc/92/95/93/562929593.db2.gz RAILUPZTMRJAKW-UHFFFAOYSA-N 1 0 466.972 5.710 1 0 JKAFRO O=C(c1cccc2ccccc21)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000003921829 562929860 /nfs/dbraw/zinc/92/98/60/562929860.db2.gz JZDVMULGLYNFNE-BHDXBOSCSA-N 1 0 474.648 6.575 1 0 JKAFRO Oc1ccc2c(ccc3c2[C@H](c2ccc(OCC[NH+]4CCCCC4)cc2)c2ccc(O)cc2C3)c1 ZINC000003948511 562930543 /nfs/dbraw/zinc/93/05/43/562930543.db2.gz FYEARXADVSSUQS-SSEXGKCCSA-N 1 0 465.593 6.200 1 0 JKAFRO O=C1C[C@H](c2ccccc2)c2cccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)c2N1 ZINC000003948572 562930596 /nfs/dbraw/zinc/93/05/96/562930596.db2.gz TWLLJXZOTXAUCG-XMMPIXPASA-N 1 0 468.626 5.135 1 0 JKAFRO O=S(=O)(c1ccccc1)N1CCC2(CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003955831 562930824 /nfs/dbraw/zinc/93/08/24/562930824.db2.gz CTCBUBOMRXKDDN-UHFFFAOYSA-N 1 0 460.643 5.343 1 0 JKAFRO O=C(c1ccco1)N1CCC2(CC1)CC[NH+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000003955948 562930914 /nfs/dbraw/zinc/93/09/14/562930914.db2.gz OMNZSLBCCMXQFA-UHFFFAOYSA-N 1 0 474.445 5.836 1 0 JKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC000004238189 562932913 /nfs/dbraw/zinc/93/29/13/562932913.db2.gz NYCVVWOIJVDPKB-UHFFFAOYSA-N 1 0 456.430 5.462 1 0 JKAFRO Oc1cccc(-c2ccc3c4c2O[C@H]2c5[nH]c6ccccc6c5C[C@@]5(O)[C@@H](C3)[N@H+](CC3CC3)CC[C@]425)c1 ZINC000006018974 562936457 /nfs/dbraw/zinc/93/64/57/562936457.db2.gz RYVAAONGSGXIGR-SSHYCOHZSA-N 1 0 490.603 5.240 1 0 JKAFRO O[C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4-c4ccccc4)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000006018969 562936469 /nfs/dbraw/zinc/93/64/69/562936469.db2.gz ILZXOOGQPIFULM-SSHYCOHZSA-N 1 0 474.604 5.534 1 0 JKAFRO CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000006716821 562938177 /nfs/dbraw/zinc/93/81/77/562938177.db2.gz ASRDPULQBHFPGU-WFIHMLKPSA-N 1 0 465.613 5.663 1 0 JKAFRO COC(=O)C[C@@H]1c2ccccc2NC(=NCCCCC[NH3+])N1c1ccc(-c2ccccc2)cc1 ZINC000006716825 562938193 /nfs/dbraw/zinc/93/81/93/562938193.db2.gz IAVHQTHZEBUNLX-AREMUKBSSA-N 1 0 456.590 5.184 1 0 JKAFRO Cc1nc2c(nc(-c3ccccc3)n2[C@H]2CC[N@H+](Cc3ccccc3)C2)c(NCc2ccccc2)n1 ZINC000008017519 562938513 /nfs/dbraw/zinc/93/85/13/562938513.db2.gz BIQOHJWJOMHFPO-SANMLTNESA-N 1 0 474.612 5.861 1 0 JKAFRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000008588621 562941587 /nfs/dbraw/zinc/94/15/87/562941587.db2.gz AHCKMVRJXWPBGF-NRFANRHFSA-N 1 0 464.610 5.740 1 0 JKAFRO CCc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)Nc5ccc6c(c5)OCO6)cc4c3)CC2)cc1 ZINC000011997946 562958412 /nfs/dbraw/zinc/95/84/12/562958412.db2.gz ZDDABXSVVFKGOK-UHFFFAOYSA-N 1 0 498.579 5.460 1 0 JKAFRO Cc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)NCCc5cccc(F)c5)cc4c3)CC2)cc1 ZINC000012190704 562959367 /nfs/dbraw/zinc/95/93/67/562959367.db2.gz BATYMGTULGRZCJ-UHFFFAOYSA-N 1 0 486.587 5.336 1 0 JKAFRO c1ccc(CCCC2CC[NH+](C[C@@H]3[C@@H](c4ccccc4)CN4O[C@H](c5ccccc5)C[C@@H]34)CC2)cc1 ZINC000013439117 562962770 /nfs/dbraw/zinc/96/27/70/562962770.db2.gz WZASNUCKAQFVFE-FYZVQMPESA-N 1 0 480.696 6.882 1 0 JKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccc5ccccc5c4)CC3)CC2)cc1 ZINC000013440389 562962959 /nfs/dbraw/zinc/96/29/59/562962959.db2.gz UVJNNUABUWMROS-UHFFFAOYSA-N 1 0 486.725 6.900 1 0 JKAFRO COc1ccc(C(=O)N2CCC([NH+]3CCC(Cc4ccc(SC(C)C)cc4)CC3)CC2)cc1 ZINC000013440394 562962990 /nfs/dbraw/zinc/96/29/90/562962990.db2.gz BJDPZILVJAADHN-UHFFFAOYSA-N 1 0 466.691 5.755 1 0 JKAFRO Cc1cccc(C(=O)N2CCC([NH+]3CCC(Cc4ccc(SC(C)C)cc4)CC3)CC2)c1N ZINC000013440384 562963019 /nfs/dbraw/zinc/96/30/19/562963019.db2.gz RRVAPRXTZWHKIK-UHFFFAOYSA-N 1 0 465.707 5.637 1 0 JKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4cccc5cccnc54)CC3)CC2)cc1 ZINC000013440425 562963098 /nfs/dbraw/zinc/96/30/98/562963098.db2.gz QDBNABZWRQJOKA-UHFFFAOYSA-N 1 0 487.713 6.295 1 0 JKAFRO CC(=O)c1cccc(NC(=O)NCCC[N@H+]2CC[C@H](Cc3ccccc3)C[C@@H]2[C@@H](O)CC(C)C)c1 ZINC000013443672 562963880 /nfs/dbraw/zinc/96/38/80/562963880.db2.gz YSUSWOLSOLLLPR-RTVRTQBESA-N 1 0 479.665 5.131 1 0 JKAFRO CCCCC[NH+](CCCCC)CCCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1 ZINC000013451460 562964720 /nfs/dbraw/zinc/96/47/20/562964720.db2.gz BGIFHJISPJOGSQ-UHFFFAOYSA-N 1 0 498.733 6.786 1 0 JKAFRO CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCC[NH2+]Cc2ccccc2)cc1 ZINC000013451495 562964801 /nfs/dbraw/zinc/96/48/01/562964801.db2.gz VFAAZXUJYOSVLJ-UHFFFAOYSA-N 1 0 462.615 5.454 1 0 JKAFRO O=C1NCCN1CCCC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 ZINC000013452494 562964827 /nfs/dbraw/zinc/96/48/27/562964827.db2.gz LILXYDLYNDJABW-UHFFFAOYSA-N 1 0 469.004 5.408 1 0 JKAFRO C[C@](C[NH2+]CCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000013454086 562964920 /nfs/dbraw/zinc/96/49/20/562964920.db2.gz JZUOVJILJZOLCD-KJCDCNFUSA-N 1 0 485.672 5.852 1 0 JKAFRO CNC(=O)CCC[N@@H+]1CCC2=C(C1)c1c(O)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455632 562965087 /nfs/dbraw/zinc/96/50/87/562965087.db2.gz KXVBVZCLPVOLMX-FQEVSTJZSA-N 1 0 494.651 5.814 1 0 JKAFRO CNC(=O)CC[N@@H+]1CCC2=C(C1)c1c(OC)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455686 562965105 /nfs/dbraw/zinc/96/51/05/562965105.db2.gz XYMXLQFWKPYRCD-HXUWFJFHSA-N 1 0 494.651 5.727 1 0 JKAFRO COc1cccc(NC(=O)Nc2ccccc2[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000013475761 562967019 /nfs/dbraw/zinc/96/70/19/562967019.db2.gz PXKUWXKCLMVULX-MHZLTWQESA-N 1 0 459.590 5.327 1 0 JKAFRO COc1cccc(NC(=O)Nc2ccc(CO)cc2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475844 562967134 /nfs/dbraw/zinc/96/71/34/562967134.db2.gz DWMDOQUSAMOMIZ-UHFFFAOYSA-N 1 0 477.580 5.425 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 ZINC000013479373 562967475 /nfs/dbraw/zinc/96/74/75/562967475.db2.gz RJQZUKFOHCVBIK-RUZDIDTESA-N 1 0 498.639 5.639 1 0 JKAFRO CCc1cccc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)c1 ZINC000013479358 562967479 /nfs/dbraw/zinc/96/74/79/562967479.db2.gz DVWBDZAUHCXGNF-LJAQVGFWSA-N 1 0 490.713 5.923 1 0 JKAFRO Cc1cccc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)c1 ZINC000013479356 562967485 /nfs/dbraw/zinc/96/74/85/562967485.db2.gz SYVROGQLFFWKJO-NDEPHWFRSA-N 1 0 476.686 5.669 1 0 JKAFRO Cc1cc(C)cc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)c1 ZINC000013479370 562967504 /nfs/dbraw/zinc/96/75/04/562967504.db2.gz BKTOTQWPSFOSNZ-MUUNZHRXSA-N 1 0 490.713 5.977 1 0 JKAFRO CCNC(=O)Nc1cc(F)ccc1C(=O)CCC[N@@H+]1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013488006 562968082 /nfs/dbraw/zinc/96/80/82/562968082.db2.gz JSSVAHJXBGMKKR-GMAHTHKFSA-N 1 0 496.652 5.104 1 0 JKAFRO CC(C)Oc1cccc2sc(C3CC[NH+](C[C@H](O)COc4cccc5[nH]ccc54)CC3)cc21 ZINC000013490081 562969142 /nfs/dbraw/zinc/96/91/42/562969142.db2.gz PTGHMEHPYBQBFD-FQEVSTJZSA-N 1 0 464.631 5.789 1 0 JKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[NH+]2CCC(c3cc4cc(Cl)ccc4s3)CC2)[nH]1 ZINC000013490102 562969189 /nfs/dbraw/zinc/96/91/89/562969189.db2.gz QLOLEBNBLJTPIF-FQEVSTJZSA-N 1 0 455.023 5.964 1 0 JKAFRO Fc1ccc(C(OCCC2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1 ZINC000013491399 562969423 /nfs/dbraw/zinc/96/94/23/562969423.db2.gz YXXIVPQOYVBQQR-UHFFFAOYSA-N 1 0 460.568 6.854 1 0 JKAFRO Fc1ccc(C(OCCC2CC[NH+](Cc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)cc1 ZINC000013491401 562969485 /nfs/dbraw/zinc/96/94/85/562969485.db2.gz GGGXMDDQIHPMRC-UHFFFAOYSA-N 1 0 471.591 7.526 1 0 JKAFRO FC(F)(F)c1ccc(C[NH+]2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013494216 562970508 /nfs/dbraw/zinc/97/05/08/562970508.db2.gz UDMSYRXZKGVFNA-UHFFFAOYSA-N 1 0 453.548 7.114 1 0 JKAFRO C[C@]1(c2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(O)cc2CCN1c1ccc(Cl)cc1 ZINC000013523317 562971062 /nfs/dbraw/zinc/97/10/62/562971062.db2.gz AVQUDVSCNKMYFQ-NDEPHWFRSA-N 1 0 463.021 5.846 1 0 JKAFRO Cc1ccc(N2CCc3cc(O)ccc3[C@]2(C)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013523304 562971067 /nfs/dbraw/zinc/97/10/67/562971067.db2.gz OEUOOFPMSZOWIR-PMERELPUSA-N 1 0 456.630 5.892 1 0 JKAFRO C[C@]1(c2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(Cl)c1 ZINC000013523371 562971169 /nfs/dbraw/zinc/97/11/69/562971169.db2.gz NOEDKQODZYGAAO-NDEPHWFRSA-N 1 0 463.021 5.846 1 0 JKAFRO CN1c2ccc(Cl)cc2C(c2ccccc2)=[NH+]C[C@@H]1CCNC(=O)c1cc2ccccc2[nH]1 ZINC000013526002 562971449 /nfs/dbraw/zinc/97/14/49/562971449.db2.gz BPJBSDPXZNRLRE-NRFANRHFSA-N 1 0 456.977 5.297 1 0 JKAFRO O=C(CCc1ccccc1)c1cc(OCc2ccccc2)ccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000013529251 562972084 /nfs/dbraw/zinc/97/20/84/562972084.db2.gz YRJZDYAKHCFJLP-SANMLTNESA-N 1 0 473.613 5.307 1 0 JKAFRO c1[nH]c(CCC(c2ccccc2)c2ccccc2)nc1CC[NH2+]CCCCCc1ccccn1 ZINC000013530324 562972170 /nfs/dbraw/zinc/97/21/70/562972170.db2.gz ISYZXIQFYBYIKC-UHFFFAOYSA-N 1 0 452.646 6.115 1 0 JKAFRO FC(F)(F)c1cccc(O[C@@H](CC[NH+]2CCN(c3nsc4ccccc43)CC2)c2ccccc2)c1 ZINC000013530536 562972272 /nfs/dbraw/zinc/97/22/72/562972272.db2.gz MXSLYDIPZRPFLW-DEOSSOPVSA-N 1 0 497.586 6.648 1 0 JKAFRO FC(F)(F)c1cccc(O[C@H](CC[NH+]2CCN(c3nsc4ccccc43)CC2)c2ccccc2)c1 ZINC000013530540 562972274 /nfs/dbraw/zinc/97/22/74/562972274.db2.gz MXSLYDIPZRPFLW-XMMPIXPASA-N 1 0 497.586 6.648 1 0 JKAFRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 ZINC000013532176 562972310 /nfs/dbraw/zinc/97/23/10/562972310.db2.gz WILNJBJZWIOTDZ-SANMLTNESA-N 1 0 495.648 6.711 1 0 JKAFRO Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NCC[C@@H]3CCC[N@H+]3C)sc2c1 ZINC000013534095 562972446 /nfs/dbraw/zinc/97/24/46/562972446.db2.gz IQGKKHLIVABDOF-INIZCTEOSA-N 1 0 472.014 5.116 1 0 JKAFRO CN(C[C@H](CC[NH+]1CCC(n2ccnc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534628 562972475 /nfs/dbraw/zinc/97/24/75/562972475.db2.gz JCIUNIFVMIPOCX-QFIPXVFZSA-N 1 0 485.459 5.773 1 0 JKAFRO COc1cccc2sc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]ccc54)[C@H](C)C3)cc21 ZINC000013535635 562972683 /nfs/dbraw/zinc/97/26/83/562972683.db2.gz CBTPCFLJYTWCHA-QRVBRYPASA-N 1 0 450.604 5.399 1 0 JKAFRO Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(C[NH+](C)C)n3)sc2c1 ZINC000013536593 562972748 /nfs/dbraw/zinc/97/27/48/562972748.db2.gz WRAFACGJDBYILN-UHFFFAOYSA-N 1 0 451.983 5.711 1 0 JKAFRO Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(C[NH+](C)C)ccn3)sc2c1 ZINC000013536580 562972769 /nfs/dbraw/zinc/97/27/69/562972769.db2.gz FRPAQDJPASCLAH-UHFFFAOYSA-N 1 0 451.983 5.711 1 0 JKAFRO OC1(c2ccc(Cl)c(C(F)(F)F)c2)CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000013553196 562973290 /nfs/dbraw/zinc/97/32/90/562973290.db2.gz WUTNCUOBFDCXMO-UHFFFAOYSA-N 1 0 473.966 6.864 1 0 JKAFRO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)Nc4cccc5ccccc54)CC3)cc12 ZINC000013553514 562973321 /nfs/dbraw/zinc/97/33/21/562973321.db2.gz HIXRTRZELGSDME-RUZDIDTESA-N 1 0 464.613 6.279 1 0 JKAFRO N=C1NC(=[NH2+])N[C@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1c1cccc(Cl)c1 ZINC000013559327 562974841 /nfs/dbraw/zinc/97/48/41/562974841.db2.gz MNCDAFBBQIQRLQ-IBGZPJMESA-N 1 0 460.752 5.587 1 0 JKAFRO O=C1c2ccc(O)cc2O[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000013560486 562975410 /nfs/dbraw/zinc/97/54/10/562975410.db2.gz AETJFEZDSLASSU-IXCJQBJRSA-N 1 0 459.542 5.063 1 0 JKAFRO CC[C@H](C(=O)NC1CCCCC1)N(CCC[NH+](CC)CC)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000013581734 562975843 /nfs/dbraw/zinc/97/58/43/562975843.db2.gz XTEGHPCXLGUIGT-AREMUKBSSA-N 1 0 466.670 5.083 1 0 JKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@@H](c3cc4cccc(F)c4s3)C[C@H]2C)[nH]1 ZINC000013587184 562976866 /nfs/dbraw/zinc/97/68/66/562976866.db2.gz LVZXIRSLFCVVQC-GGPKGHCWSA-N 1 0 452.595 5.838 1 0 JKAFRO COc1cccc2sc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5oc(C)cc54)[C@H](C)C3)cc21 ZINC000013587201 562976891 /nfs/dbraw/zinc/97/68/91/562976891.db2.gz NNWMNOCTZDIGBT-RLLQIKCJSA-N 1 0 465.615 5.972 1 0 JKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@@H](c3cc4cc(F)ccc4s3)C[C@@H]2C)[nH]1 ZINC000013587194 562976917 /nfs/dbraw/zinc/97/69/17/562976917.db2.gz WEGCLSBGECOYJJ-UEXGIBASSA-N 1 0 452.595 5.838 1 0 JKAFRO COc1cccc2sc([C@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]c(C)cc54)C(C)(C)C3)cc21 ZINC000013587208 562976998 /nfs/dbraw/zinc/97/69/98/562976998.db2.gz SHXLANFHNUNXHR-PMACEKPBSA-N 1 0 478.658 6.098 1 0 JKAFRO Cc1cc(OCC[NH+]2CCCCC2)ccc1C1=C[C@]2(CCc3cc(O)ccc32)c2ccc(O)cc21 ZINC000013587749 562977316 /nfs/dbraw/zinc/97/73/16/562977316.db2.gz BGQDIXOPAMBHRI-HKBQPEDESA-N 1 0 467.609 5.949 1 0 JKAFRO Oc1ccc2c(c1)CC[C@@]21C=C(c2cccc(OCC[NH+]3CCCCC3)c2)c2cc(O)ccc21 ZINC000013587754 562977382 /nfs/dbraw/zinc/97/73/82/562977382.db2.gz CIRQCIBUOZFBLG-SSEXGKCCSA-N 1 0 453.582 5.640 1 0 JKAFRO NC(=O)C1CC[NH+](Cc2ccc(-c3cc4nccc(Nc5ccc6[nH]ccc6c5)c4s3)cc2)CC1 ZINC000013588184 562977537 /nfs/dbraw/zinc/97/75/37/562977537.db2.gz ULUUNYJTTJIXHY-UHFFFAOYSA-N 1 0 481.625 5.886 1 0 JKAFRO Cc1cc2cc(Nc3ccnc4cc(-c5ccc(C[NH2+]CCOCCO)cc5)sc43)ccc2[nH]1 ZINC000013588196 562977545 /nfs/dbraw/zinc/97/75/45/562977545.db2.gz SJSZXGFLISXGGM-UHFFFAOYSA-N 1 0 472.614 5.595 1 0 JKAFRO c1ccc2c(c1)nc1c(c2CCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000013612210 562979593 /nfs/dbraw/zinc/97/95/93/562979593.db2.gz LEWUCBWUGAIBAD-UHFFFAOYSA-N 1 0 491.723 8.536 1 0 JKAFRO CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013613184 562979682 /nfs/dbraw/zinc/97/96/82/562979682.db2.gz KUOOPYAWZGYOPB-SHQCIBLASA-N 1 0 465.613 5.663 1 0 JKAFRO COc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643485 562980494 /nfs/dbraw/zinc/98/04/94/562980494.db2.gz FDWXFMBRFUBYTF-UHFFFAOYSA-N 1 0 465.421 5.229 1 0 JKAFRO COc1ccc(C(=O)NCC2CCC(C[NH3+])CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643491 562980510 /nfs/dbraw/zinc/98/05/10/562980510.db2.gz DPKSMFRDSXBELI-UHFFFAOYSA-N 1 0 465.421 5.118 1 0 JKAFRO Cc1ccc2cc(C(=O)NC3CC[NH+](C(C)C)CC3)n(Cc3cc(-c4ccc(Cl)s4)on3)c2c1 ZINC000013646533 562980657 /nfs/dbraw/zinc/98/06/57/562980657.db2.gz ZZYWHGSUCVAUHI-UHFFFAOYSA-N 1 0 497.064 5.971 1 0 JKAFRO Cc1ccc2c(cc(C(=O)NC3CC[NH+](C(C)C)CC3)n2Cc2cc(-c3ccc(Cl)s3)on2)c1 ZINC000013646519 562980666 /nfs/dbraw/zinc/98/06/66/562980666.db2.gz KKHCWZXQPKIWDG-UHFFFAOYSA-N 1 0 497.064 5.971 1 0 JKAFRO COc1ccc([C@]2(c3ccc(OCC[NH+](C)C)cc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000013649376 562980937 /nfs/dbraw/zinc/98/09/37/562980937.db2.gz LWYSPLVNMSFSTO-RPBOFIJWSA-N 1 0 456.413 5.893 1 0 JKAFRO C[N@@H+]1CCCC[C@@H]1Cn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21 ZINC000013672800 562982771 /nfs/dbraw/zinc/98/27/71/562982771.db2.gz UMWURODBAKCARO-GOSISDBHSA-N 1 0 461.403 6.272 1 0 JKAFRO CCC1=C(c2ccc(O)cc2)[C@@H](C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c2cc(O)ccc21 ZINC000013673459 562982845 /nfs/dbraw/zinc/98/28/45/562982845.db2.gz BDMZTIOJCDWABL-PMERELPUSA-N 1 0 498.623 6.019 1 0 JKAFRO CCC1=C(c2ccc(O)cc2)[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c2cc(O)ccc21 ZINC000013673463 562982846 /nfs/dbraw/zinc/98/28/46/562982846.db2.gz IQOBSXIQYZEGIX-MHZLTWQESA-N 1 0 458.558 5.095 1 0 JKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCC[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000013674312 562983037 /nfs/dbraw/zinc/98/30/37/562983037.db2.gz NSPOZVUXYQBLBO-AREMUKBSSA-N 1 0 454.441 6.889 1 0 JKAFRO O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000013675644 562983262 /nfs/dbraw/zinc/98/32/62/562983262.db2.gz MZIDLDQPPBIKHJ-UHFFFAOYSA-N 1 0 489.063 6.580 1 0 JKAFRO O=C(NCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1c[nH]c2ccccc21 ZINC000013675660 562983270 /nfs/dbraw/zinc/98/32/70/562983270.db2.gz WRZLBZPGOSUCKT-UHFFFAOYSA-N 1 0 461.009 6.261 1 0 JKAFRO Oc1ccc2c(ccc3c2[C@H](c2ccc(OCC[NH+]4CCCCC4)cc2)Oc2c(F)cc(F)cc2-3)c1 ZINC000013679924 562984099 /nfs/dbraw/zinc/98/40/99/562984099.db2.gz AKRKKOYYGGSJRD-LJAQVGFWSA-N 1 0 487.546 6.837 1 0 JKAFRO O[C@H](CCc1ccccc1)C[NH+]1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013683640 562984263 /nfs/dbraw/zinc/98/42/63/562984263.db2.gz GLGCNDZGYPRTRL-GDLZYMKVSA-N 1 0 479.611 6.167 1 0 JKAFRO O[C@@H](CC[NH+]1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000013683676 562984284 /nfs/dbraw/zinc/98/42/84/562984284.db2.gz YYESVHWSLYRIMX-NDEPHWFRSA-N 1 0 465.584 6.297 1 0 JKAFRO C[C@@H](Cc1ccccc1)C[NH+]1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013683659 562984289 /nfs/dbraw/zinc/98/42/89/562984289.db2.gz JGDHAGIXYKLIBE-QHCPKHFHSA-N 1 0 463.612 7.052 1 0 JKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CC[NH+]2CCCCC2)c1 ZINC000013685198 562984324 /nfs/dbraw/zinc/98/43/24/562984324.db2.gz IEUODIZTZFEFFC-UHFFFAOYSA-N 1 0 455.562 5.959 1 0 JKAFRO Oc1ccc2c(c1)OCC1=C2[C@H](c2ccc(OCC[NH+]3CCCCCC3)cc2)Oc2cc(O)ccc21 ZINC000013687343 562984507 /nfs/dbraw/zinc/98/45/07/562984507.db2.gz RUBOTKLNTUTKNL-PMERELPUSA-N 1 0 485.580 5.790 1 0 JKAFRO Cc1ccc2c(C3CC[NH+](CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccccc3F)c2c1 ZINC000013731187 562985254 /nfs/dbraw/zinc/98/52/54/562985254.db2.gz YVFUGTZUCVMFPR-UHFFFAOYSA-N 1 0 462.613 5.403 1 0 JKAFRO CC/C(=C(\c1ccccc1)c1ccc(/C=C/C(=O)N(CC)CC[NH+](C)C)cc1)c1ccccc1 ZINC000013736708 562985946 /nfs/dbraw/zinc/98/59/46/562985946.db2.gz GUDMGLNHTKZVJR-NSEFVXCXSA-N 1 0 452.642 6.479 1 0 JKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NC(=O)CCCCC[NH+](C)C)c1ccccc1 ZINC000013737167 562986027 /nfs/dbraw/zinc/98/60/27/562986027.db2.gz UOLZANZJFDHNNL-SANMLTNESA-N 1 0 480.697 6.034 1 0 JKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000013737277 562986110 /nfs/dbraw/zinc/98/61/10/562986110.db2.gz GROFTRWCPJCEQB-SANMLTNESA-N 1 0 497.605 7.605 1 0 JKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NC(=O)CCCCC[NH3+])c1ccccc1 ZINC000013737317 562986127 /nfs/dbraw/zinc/98/61/27/562986127.db2.gz JOIFOKSDOIOARQ-XMMPIXPASA-N 1 0 452.643 5.432 1 0 JKAFRO Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cc(C(=O)c3ccccc3)cc3c2n1CCC3 ZINC000013740429 562986688 /nfs/dbraw/zinc/98/66/88/562986688.db2.gz LPAZSLIJHCVLRR-UHFFFAOYSA-N 1 0 478.640 5.195 1 0 JKAFRO Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cc(NC(=O)c3ccccc3)cc3c2n1CCC3 ZINC000013740424 562986788 /nfs/dbraw/zinc/98/67/88/562986788.db2.gz RXLNEEMRNQZQSQ-UHFFFAOYSA-N 1 0 493.655 5.216 1 0 JKAFRO COc1cc(C(=O)C(F)(F)F)ccc1OCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000013740862 562986931 /nfs/dbraw/zinc/98/69/31/562986931.db2.gz BNRQVDABANQSQW-UHFFFAOYSA-N 1 0 480.458 5.369 1 0 JKAFRO CC[NH+](CC)CCOc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000013741294 562987044 /nfs/dbraw/zinc/98/70/44/562987044.db2.gz GBOKUXQTANGUMQ-UHFFFAOYSA-N 1 0 480.992 5.309 1 0 JKAFRO C[NH+](C)CCCOc1ccc(NC(=O)Cc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000013741298 562987052 /nfs/dbraw/zinc/98/70/52/562987052.db2.gz BTFBCVADYQVBJF-UHFFFAOYSA-N 1 0 450.966 5.083 1 0 JKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CC3)OCc3cccc(F)c34)c3ccccc32)cc1 ZINC000013741542 562987092 /nfs/dbraw/zinc/98/70/92/562987092.db2.gz OVAZGIAHZMVIMY-UHFFFAOYSA-N 1 0 472.579 6.753 1 0 JKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CCc5ccccc5O4)CC3)c3ccccc32)cc1 ZINC000013741552 562987096 /nfs/dbraw/zinc/98/70/96/562987096.db2.gz YWGRJLZNPVVUFX-UHFFFAOYSA-N 1 0 468.616 6.952 1 0 JKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CC3)COCc3ccccc34)c3ccccc32)cc1 ZINC000013741554 562987125 /nfs/dbraw/zinc/98/71/25/562987125.db2.gz MDRDZERYJPALET-UHFFFAOYSA-N 1 0 468.616 6.656 1 0 JKAFRO COC(=O)c1ccccc1SC[C@@H](C[NH+](C)C)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000013741937 562987141 /nfs/dbraw/zinc/98/71/41/562987141.db2.gz ZCKJJEAXMUMRLO-JOCHJYFZSA-N 1 0 463.599 5.205 1 0 JKAFRO c1ccc(Oc2cccc(CO[C@@H]3C4CC[NH+](CC4)[C@@H]3C(c3ccccc3)c3ccccc3)c2)cc1 ZINC000013744495 562987810 /nfs/dbraw/zinc/98/78/10/562987810.db2.gz OKIXEUMIQOKHID-CZNDPXEESA-N 1 0 475.632 7.290 1 0 JKAFRO Brc1ccccc1CO[C@@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000013744479 562987841 /nfs/dbraw/zinc/98/78/41/562987841.db2.gz UNKSVANIANTVBC-KAYWLYCHSA-N 1 0 462.431 6.261 1 0 JKAFRO FC(F)(F)c1ccc(CO[C@@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1 ZINC000013744499 562987925 /nfs/dbraw/zinc/98/79/25/562987925.db2.gz GBGJHGBFMCNNKU-KAYWLYCHSA-N 1 0 451.532 6.517 1 0 JKAFRO Clc1cc(Cl)cc(CO[C@@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000013744509 562987989 /nfs/dbraw/zinc/98/79/89/562987989.db2.gz VLLJECVRBGSGCF-KAYWLYCHSA-N 1 0 452.425 6.805 1 0 JKAFRO COc1ccc(C(OCCC2CC[NH+](CCCc3ccccc3)CC2)c2ccc(OC)cc2)cc1 ZINC000013746576 562988172 /nfs/dbraw/zinc/98/81/72/562988172.db2.gz XBRQVZPDETWVCL-UHFFFAOYSA-N 1 0 473.657 6.545 1 0 JKAFRO C[C@H]1SC(C)(C)C(=O)N1CCCC[NH+]1CCN(c2cn(-c3ccccc3)c3cc(F)ccc23)CC1 ZINC000013759421 562989218 /nfs/dbraw/zinc/98/92/18/562989218.db2.gz JESULJQFGFJISO-OAQYLSRUSA-N 1 0 494.680 5.372 1 0 JKAFRO C[C@@H]1SC(C)(C)C(=O)N1CCCC[NH+]1CCN(c2cn(-c3ccccc3)c3ccccc23)CC1 ZINC000013759412 562989253 /nfs/dbraw/zinc/98/92/53/562989253.db2.gz KQVBGTRXBYOVJC-QFIPXVFZSA-N 1 0 476.690 5.233 1 0 JKAFRO Oc1ccc2c(c1)O[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)c1c3ccccc3sc1-2 ZINC000013779325 562991380 /nfs/dbraw/zinc/99/13/80/562991380.db2.gz UOLDIIDQKRMCTR-MHZLTWQESA-N 1 0 457.595 6.620 1 0 JKAFRO COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1CCC[NH+](C)C ZINC000013779294 562991401 /nfs/dbraw/zinc/99/14/01/562991401.db2.gz IDZNHGXBYKUAJJ-UHFFFAOYSA-N 1 0 484.600 5.776 1 0 JKAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCCc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000013779670 562991599 /nfs/dbraw/zinc/99/15/99/562991599.db2.gz WBISYROOPMTIBU-UHFFFAOYSA-N 1 0 463.666 5.245 1 0 JKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5cc(-c6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000013780468 562991810 /nfs/dbraw/zinc/99/18/10/562991810.db2.gz LAFAZHYCYGLKBS-SSHYCOHZSA-N 1 0 490.603 5.240 1 0 JKAFRO CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCC[NH+](C)C)c1ccccc1 ZINC000013795699 562993037 /nfs/dbraw/zinc/99/30/37/562993037.db2.gz OURRYXSKJSYVBU-DEOSSOPVSA-N 1 0 453.586 5.723 1 0 JKAFRO COc1ccccc1N1CC[NH+](CCCc2cc(Cl)ccc2OCCc2ccccc2)CC1 ZINC000013795806 562993130 /nfs/dbraw/zinc/99/31/30/562993130.db2.gz YUISEVXRRGOSEQ-UHFFFAOYSA-N 1 0 465.037 5.725 1 0 JKAFRO CC[NH+](CC)CCn1c2ccc(OC)cc2c2c1ncnc2Nc1cccc(Br)c1 ZINC000013803529 562994738 /nfs/dbraw/zinc/99/47/38/562994738.db2.gz KGOOHLRXQJDOJF-UHFFFAOYSA-N 1 0 468.399 5.441 1 0 JKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](C)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000013812905 562995876 /nfs/dbraw/zinc/99/58/76/562995876.db2.gz IFQHLXCLHLANDD-IXVKMOFWSA-N 1 0 458.989 5.640 3 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2cn3cccc(OCc4ccccc4)c3n2)cc1 ZINC000013819550 562997214 /nfs/dbraw/zinc/99/72/14/562997214.db2.gz ZKUYPDDYTXCSNB-UHFFFAOYSA-N 1 0 485.672 7.251 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820043 562997220 /nfs/dbraw/zinc/99/72/20/562997220.db2.gz DXFQNMQMIBZCGI-ZQIDGUAPSA-N 1 0 463.691 5.358 1 0 JKAFRO Cc1ccc(N2CC[NH+](CCCC(=O)N[C@H]3c4ccccc4SC[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000013820075 562997390 /nfs/dbraw/zinc/99/73/90/562997390.db2.gz SELGOWUPKMFJRF-ZLZBJJAKSA-N 1 0 477.718 5.667 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000013820560 562997468 /nfs/dbraw/zinc/99/74/68/562997468.db2.gz PVJCUYTVYYLXGG-NDEPHWFRSA-N 1 0 492.088 5.754 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000013820509 562997491 /nfs/dbraw/zinc/99/74/91/562997491.db2.gz OUBBPFMHCCWLFX-NDEPHWFRSA-N 1 0 457.643 5.100 1 0 JKAFRO CC(=O)c1ccc(OCCC[NH+]2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013824961 562998175 /nfs/dbraw/zinc/99/81/75/562998175.db2.gz WQUFWOXKBAQRQU-UHFFFAOYSA-N 1 0 463.568 6.480 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000013824915 562998195 /nfs/dbraw/zinc/99/81/95/562998195.db2.gz HNUBHTPNYJQGMQ-GDLZYMKVSA-N 1 0 476.592 5.745 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCC[NH+]1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824924 562998217 /nfs/dbraw/zinc/99/82/17/562998217.db2.gz HJRAUNMHERBPJG-UHFFFAOYSA-N 1 0 479.567 6.099 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(c2ccccc2)c2ccccc2)CC1 ZINC000013824887 562998230 /nfs/dbraw/zinc/99/82/30/562998230.db2.gz FYIBDZJGBOZTNV-UHFFFAOYSA-N 1 0 457.614 6.211 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 ZINC000013824904 562998240 /nfs/dbraw/zinc/99/82/40/562998240.db2.gz DTYSYXOVYCUFES-UHFFFAOYSA-N 1 0 485.668 6.828 1 0 JKAFRO O=S(=O)(CCC[NH+]1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000013824992 562998268 /nfs/dbraw/zinc/99/82/68/562998268.db2.gz YNBVFYLJEABHGQ-UHFFFAOYSA-N 1 0 469.597 5.673 1 0 JKAFRO COc1ccc(OCCC[NH+]2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013824976 562998328 /nfs/dbraw/zinc/99/83/28/562998328.db2.gz BPPKFKDLVHEQBC-UHFFFAOYSA-N 1 0 451.557 6.286 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2c3ccccn3nc2C(C)C)cc1 ZINC000013827197 562998586 /nfs/dbraw/zinc/99/85/86/562998586.db2.gz GIJBGPPVYLNAQQ-UHFFFAOYSA-N 1 0 485.694 5.962 1 0 JKAFRO CCCCc1nc2cccc(C[NH+](C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828090 562998937 /nfs/dbraw/zinc/99/89/37/562998937.db2.gz HSRGNXIIKVAUGC-UHFFFAOYSA-N 1 0 465.605 5.336 1 0 JKAFRO COc1ccc(SC[C@@H](Cc2ccccc2)N2CC[N@H+](CCc3ccccc3)CCC2=O)cc1 ZINC000013829862 562999178 /nfs/dbraw/zinc/99/91/78/562999178.db2.gz KZKWTMMRPCTLNF-AREMUKBSSA-N 1 0 474.670 5.176 1 0 JKAFRO COc1cc(OC)c([C@H](CC[NH+]2CCCCC2)c2ccc(N(C)C)cc2)c2oc(=O)cc(C)c12 ZINC000013830786 562999312 /nfs/dbraw/zinc/99/93/12/562999312.db2.gz MPBIQLDILHIEQZ-JOCHJYFZSA-N 1 0 464.606 5.193 1 0 JKAFRO O=C(c1c2cccc(O)c2sc1-c1ccc(O)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834291 563000926 /nfs/dbraw/zinc/00/09/26/563000926.db2.gz OCXMSTQLUNTVIK-UHFFFAOYSA-N 1 0 473.594 6.075 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccccc1O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834303 563000961 /nfs/dbraw/zinc/00/09/61/563000961.db2.gz YCDSBBHRSVTTMX-UHFFFAOYSA-N 1 0 473.594 6.075 1 0 JKAFRO CCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834306 563000984 /nfs/dbraw/zinc/00/09/84/563000984.db2.gz WMLWTVAJYFWBTB-UHFFFAOYSA-N 1 0 485.649 6.932 1 0 JKAFRO COc1cc([C@H]2Oc3ccccc3N(CCCCC[N@H+]3[C@H](C)CCC[C@@H]3C)C2=O)cc(OC)c1OC ZINC000013834525 563001072 /nfs/dbraw/zinc/00/10/72/563001072.db2.gz KWCIDGOKXJECAI-PBDKAQRYSA-N 1 0 496.648 5.612 1 0 JKAFRO Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000013835524 563001367 /nfs/dbraw/zinc/00/13/67/563001367.db2.gz PMMUSRSOKNLZDS-UHFFFAOYSA-N 1 0 451.448 5.976 1 0 JKAFRO Cc1cc2c(cc1Cc1ccc(C(=O)NCc3ccc(C[NH+](C)C)cc3)o1)C(C)(C)CCC2(C)C ZINC000013860614 563002201 /nfs/dbraw/zinc/00/22/01/563002201.db2.gz DTRFYGVLKVDZDU-UHFFFAOYSA-N 1 0 472.673 6.519 1 0 JKAFRO COc1ccccc1N1CC[NH+](CC[C@H](Oc2cccc3ccccc32)c2cccs2)CC1 ZINC000013861772 563002606 /nfs/dbraw/zinc/00/26/06/563002606.db2.gz MTHGYQOEWSGLNG-MHZLTWQESA-N 1 0 458.627 6.242 1 0 JKAFRO COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1 ZINC000013861697 563002613 /nfs/dbraw/zinc/00/26/13/563002613.db2.gz DKAXYCXGSBKEAV-VWLOTQADSA-N 1 0 470.535 6.046 1 0 JKAFRO CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1C[NH+]1CCCCC1)c1ccccc1 ZINC000013862764 563003061 /nfs/dbraw/zinc/00/30/61/563003061.db2.gz MHEYENUCWKQKPB-MHZLTWQESA-N 1 0 463.625 6.769 1 0 JKAFRO C[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CCC([NH3+])CC1)C1CCCCC1 ZINC000013862773 563003108 /nfs/dbraw/zinc/00/31/08/563003108.db2.gz VMJXZFSOFQSBSI-NRFANRHFSA-N 1 0 470.661 5.524 1 0 JKAFRO COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCCC[NH+](C)C ZINC000013863467 563003481 /nfs/dbraw/zinc/00/34/81/563003481.db2.gz MWSUARADAXHTLM-BJKOFHAPSA-N 1 0 467.654 5.267 1 0 JKAFRO CCCCCC1(CCCCC)[NH2+][C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3cc(C)ccc3[nH]c21 ZINC000013863929 563003658 /nfs/dbraw/zinc/00/36/58/563003658.db2.gz UNVJHXJVNFPUCI-HHHXNRCGSA-N 1 0 468.689 8.109 1 0 JKAFRO O=C(CCCc1ccccc1)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013864333 563003903 /nfs/dbraw/zinc/00/39/03/563003903.db2.gz VGBOISIRCIDEGP-UHFFFAOYSA-N 1 0 476.611 6.044 1 0 JKAFRO O=C(CCc1ccc(F)cc1)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013864328 563003964 /nfs/dbraw/zinc/00/39/64/563003964.db2.gz MUAYITOFLINYIL-UHFFFAOYSA-N 1 0 480.574 5.793 1 0 JKAFRO O[C@@H](/C=C1\C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000013901725 563004349 /nfs/dbraw/zinc/00/43/49/563004349.db2.gz IICYPFHJKGRIGE-VNMIWEMJSA-N 1 0 463.543 6.592 1 0 JKAFRO Oc1ccc2c(ccc3c2[C@@H](c2ccc(OCC[NH+]4CCCCC4)cc2)c2cccc(O)c2C3)c1 ZINC000013976026 563004904 /nfs/dbraw/zinc/00/49/04/563004904.db2.gz DLCGHEAGXLUOOT-PMERELPUSA-N 1 0 465.593 6.200 1 0 JKAFRO O=C1C[C@@H](c2ccccc2)c2cccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)c2N1 ZINC000013976034 563004928 /nfs/dbraw/zinc/00/49/28/563004928.db2.gz TWLLJXZOTXAUCG-DEOSSOPVSA-N 1 0 468.626 5.135 1 0 JKAFRO CC(C)Oc1cc2ncnc(Nc3c4c(ccc3Cl)OCO4)c2c(OC2CC[NH+](C)CC2)c1 ZINC000014949451 563006987 /nfs/dbraw/zinc/00/69/87/563006987.db2.gz HWFNAHQNQARBKY-UHFFFAOYSA-N 1 0 470.957 5.016 1 0 JKAFRO NC(=[NH2+])c1ccc2scc([C@H](Cc3ccccc3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1 ZINC000014950962 563007120 /nfs/dbraw/zinc/00/71/20/563007120.db2.gz MHZNONWYVICPRR-SANMLTNESA-N 1 0 491.616 6.943 1 0 JKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)cc3)on2)CC1 ZINC000014959762 563008219 /nfs/dbraw/zinc/00/82/19/563008219.db2.gz SORMHIBIVMGENN-UHFFFAOYSA-N 1 0 477.008 5.601 1 0 JKAFRO CC(C)[NH+]1CC(CNC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1 ZINC000014959696 563008286 /nfs/dbraw/zinc/00/82/86/563008286.db2.gz JXXTUZLDPFLPSN-UHFFFAOYSA-N 1 0 469.010 5.130 1 0 JKAFRO [NH3+][C@H](COc1cncc(-c2ccc3c(c2)/C(=C/c2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12 ZINC000014961587 563008355 /nfs/dbraw/zinc/00/83/55/563008355.db2.gz BSFNGHCTZDCQBF-VHLXNKDGSA-N 1 0 476.536 5.264 1 0 JKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2cnc(-c3ccc(Cl)s3)s2)CC1 ZINC000014959787 563008370 /nfs/dbraw/zinc/00/83/70/563008370.db2.gz DBUBLUXPBHYRHZ-UHFFFAOYSA-N 1 0 499.105 6.131 1 0 JKAFRO O=C(Nc1cc(-c2ccccc2)ccc1N1CC[NH+](Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC000014962007 563008458 /nfs/dbraw/zinc/00/84/58/563008458.db2.gz ABOBTXLSWCANMO-UHFFFAOYSA-N 1 0 497.642 7.081 1 0 JKAFRO [NH3+][C@H](COc1cnc(-c2ccco2)c(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12 ZINC000014962527 563008486 /nfs/dbraw/zinc/00/84/86/563008486.db2.gz FLJJFPVRCWLXIM-QHCPKHFHSA-N 1 0 460.537 5.987 1 0 JKAFRO Oc1ccc2c(c1)sc(-c1ccc(F)cc1)c2Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000014970918 563009639 /nfs/dbraw/zinc/00/96/39/563009639.db2.gz UXOKNLLQRMTSSJ-UHFFFAOYSA-N 1 0 463.574 7.070 1 0 JKAFRO Nc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000014970930 563009739 /nfs/dbraw/zinc/00/97/39/563009739.db2.gz RWZWBBCTNYUKDP-UHFFFAOYSA-N 1 0 460.599 6.513 1 0 JKAFRO CCNC(=O)c1noc(-c2cc(-c3ccccc3)c(O)cc2O)c1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014974910 563010086 /nfs/dbraw/zinc/01/00/86/563010086.db2.gz PKTFLCYFJWTUTH-UHFFFAOYSA-N 1 0 497.595 5.822 1 0 JKAFRO C[N@@H+]1CCC[C@@H]1CCCOc1ccc2c(c1)nccc2-c1c2n(nc1-c1ccccn1)CCC2 ZINC000014976410 563010334 /nfs/dbraw/zinc/01/03/34/563010334.db2.gz JXPPWBILJRHGIF-HXUWFJFHSA-N 1 0 453.590 5.360 1 0 JKAFRO CC[N@@H+]1CCC[C@@H](Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc3cc(Cl)ccc32)C1 ZINC000016975502 563013338 /nfs/dbraw/zinc/01/33/38/563013338.db2.gz CNDBBOZQJPYNTH-MRXNPFEDSA-N 1 0 450.801 6.230 1 0 JKAFRO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000020329286 563016002 /nfs/dbraw/zinc/01/60/02/563016002.db2.gz AIANEUQNIHLQGJ-UHFFFAOYSA-N 1 0 478.061 6.178 1 0 JKAFRO CC[NH+](CC)CCCCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C ZINC000021289488 563016605 /nfs/dbraw/zinc/01/66/05/563016605.db2.gz YRRHAVKHTFWTLV-UHFFFAOYSA-N 1 0 461.437 5.831 1 0 JKAFRO Brc1ccc2c(c1)[nH]cc2[C@H]1C[NH2+][C@@H](c2c[nH]c3cc(Br)ccc32)CN1 ZINC000022859129 563017161 /nfs/dbraw/zinc/01/71/61/563017161.db2.gz MWNHJASCQSIGAO-WOJBJXKFSA-N 1 0 474.200 5.149 1 0 JKAFRO Brc1ccc2[nH]cc([C@@H]3CN[C@@H](c4c[nH]c5ccc(Br)cc54)C[NH2+]3)c2c1 ZINC000022859415 563017237 /nfs/dbraw/zinc/01/72/37/563017237.db2.gz LLFCFVFHRMTXOG-BGYRXZFFSA-N 1 0 474.200 5.149 1 0 JKAFRO O[C@@H](CSc1ccccc1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924707 563017522 /nfs/dbraw/zinc/01/75/22/563017522.db2.gz KMONIWZOMQQSPR-HHHXNRCGSA-N 1 0 496.667 5.648 1 0 JKAFRO Fc1ccc(C(OCCN2CC[NH+](CCCc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000022925614 563017612 /nfs/dbraw/zinc/01/76/12/563017612.db2.gz USGPDESLGQZHAK-UHFFFAOYSA-N 1 0 485.018 5.975 1 0 JKAFRO Fc1ccc(CN(CCCN2CC[NH+](CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022925722 563017667 /nfs/dbraw/zinc/01/76/67/563017667.db2.gz SKSRFQROQDXMAL-UHFFFAOYSA-N 1 0 463.616 5.612 1 0 JKAFRO c1ccc(CCCN2CC[NH+](CCCCCN(Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000022925748 563017671 /nfs/dbraw/zinc/01/76/71/563017671.db2.gz VMZAHLMVORANEZ-UHFFFAOYSA-N 1 0 455.690 6.114 1 0 JKAFRO Cc1ccc(/C=C/CN2CC[NH+](CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022925539 563017681 /nfs/dbraw/zinc/01/76/81/563017681.db2.gz JUDLOGIXXXCULG-NSCUHMNNSA-N 1 0 462.584 5.710 1 0 JKAFRO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](CCCOc3ccc4c(c3)-c3ccccc3C4)C1)CC2 ZINC000022930517 563018295 /nfs/dbraw/zinc/01/82/95/563018295.db2.gz JBEWIPMACLNNPY-HHHXNRCGSA-N 1 0 498.667 5.567 1 0 JKAFRO Cc1ccc(O)c(N(CCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(C)C)c1 ZINC000022934219 563018791 /nfs/dbraw/zinc/01/87/91/563018791.db2.gz PXZOCRXWQZWVBK-UHFFFAOYSA-N 1 0 457.662 5.713 1 0 JKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc(CN3CC[NH+](C)CC3)c2)CCCC1 ZINC000022937360 563019004 /nfs/dbraw/zinc/01/90/04/563019004.db2.gz MAZSHSLMMRLBNW-UHFFFAOYSA-N 1 0 490.736 6.314 1 0 JKAFRO Fc1ccc(C(OCCN2CC[NH+](CCCc3cccs3)CC2)c2ccc(F)cc2)cc1 ZINC000022938576 563019179 /nfs/dbraw/zinc/01/91/79/563019179.db2.gz NFGAPEVEHRVFEJ-UHFFFAOYSA-N 1 0 456.602 5.383 1 0 JKAFRO O=C(CCC[NH+]1CCN(C/C=C/c2ccccc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000022940091 563019460 /nfs/dbraw/zinc/01/94/60/563019460.db2.gz IRXNIDKGCMSOEL-KXMKAXRESA-N 1 0 497.708 5.609 1 0 JKAFRO Fc1ccc(C(OCC[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cc3ccccc3[nH]2)c2ccc(F)cc2)cc1 ZINC000022940899 563019732 /nfs/dbraw/zinc/01/97/32/563019732.db2.gz POOIGJPESWBTGB-HNRBIFIRSA-N 1 0 487.594 5.901 1 0 JKAFRO C[NH+](C)[C@@H]1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)C1 ZINC000023361016 563020275 /nfs/dbraw/zinc/02/02/75/563020275.db2.gz AADBANJKFIORNE-HXUWFJFHSA-N 1 0 455.046 5.586 1 0 JKAFRO Cc1nc[nH]c1CN1c2ccccc2C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@@H]1CCc1ccccc1 ZINC000025984437 563021030 /nfs/dbraw/zinc/02/10/30/563021030.db2.gz WVMMDJDPEOYFFD-PMERELPUSA-N 1 0 492.711 7.039 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000026014933 563021788 /nfs/dbraw/zinc/02/17/88/563021788.db2.gz YYEXUBCYPMTWGL-UHFFFAOYSA-N 1 0 475.658 5.254 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000026015146 563021798 /nfs/dbraw/zinc/02/17/98/563021798.db2.gz RRLFSIAYEBCALH-UHFFFAOYSA-N 1 0 489.685 5.978 1 0 JKAFRO CNC(=O)Nc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2cc(C)cc(C)c2)cc1 ZINC000026016936 563021846 /nfs/dbraw/zinc/02/18/46/563021846.db2.gz SIMJTJXBIPKBOE-UHFFFAOYSA-N 1 0 468.645 6.358 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2c(cccc2OC)C1 ZINC000026144008 563022255 /nfs/dbraw/zinc/02/22/55/563022255.db2.gz LVSUPYDDQCSHAN-MUUNZHRXSA-N 1 0 470.657 6.142 1 0 JKAFRO C[C@H]([NH2+]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000026146481 563022348 /nfs/dbraw/zinc/02/23/48/563022348.db2.gz VWYDECMNCXHJOZ-RDPSFJRHSA-N 1 0 479.045 5.734 1 0 JKAFRO COc1ccc([C@@H](O)CCC[N@@H+]2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026179035 563023690 /nfs/dbraw/zinc/02/36/90/563023690.db2.gz OVISRGCRZMGEBJ-ITHJLQSDSA-N 1 0 464.556 5.797 1 0 JKAFRO COc1ccc(C(=O)Nc2ccccc2NC(=O)OCCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000026181793 563023867 /nfs/dbraw/zinc/02/38/67/563023867.db2.gz NZASLHGYSUHZEI-UHFFFAOYSA-N 1 0 474.561 5.198 1 0 JKAFRO CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2cccs2)cc1 ZINC000026246876 563024303 /nfs/dbraw/zinc/02/43/03/563024303.db2.gz CODNVHULVBDCJR-HNRBIFIRSA-N 1 0 484.709 6.902 1 0 JKAFRO CCCCCCOc1c(OC)cc(C(=O)OCCCC[n+]2cccc3ccccc32)cc1OC ZINC000026254658 563024613 /nfs/dbraw/zinc/02/46/13/563024613.db2.gz ZDSOKNYIUADJRM-UHFFFAOYSA-N 1 0 466.598 5.741 1 0 JKAFRO CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)C[NH+]3CCCCC3)C=C21 ZINC000026259010 563024672 /nfs/dbraw/zinc/02/46/72/563024672.db2.gz BSRZWKSPSYIBBD-HWBMXIPRSA-N 1 0 482.709 6.558 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)=C2c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026266563 563024929 /nfs/dbraw/zinc/02/49/29/563024929.db2.gz FHXHQHPKYXZNBB-UHFFFAOYSA-N 1 0 469.625 6.690 1 0 JKAFRO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCCC[NH+]1CCC(c2ccccc2)CC1 ZINC000026291255 563025780 /nfs/dbraw/zinc/02/57/80/563025780.db2.gz HCPOPSHJPZBCTP-UHFFFAOYSA-N 1 0 495.667 5.922 1 0 JKAFRO COc1ccc([S@@](=O)c2ccc([C@H](C3CCCCC3)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1 ZINC000026380100 563026614 /nfs/dbraw/zinc/02/66/14/563026614.db2.gz CSHHMALNFJAJIB-LWQYYNMXSA-N 1 0 494.745 6.434 1 0 JKAFRO C[C@H](c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000026379982 563026653 /nfs/dbraw/zinc/02/66/53/563026653.db2.gz AHUKWGFWYLCACE-JOCHJYFZSA-N 1 0 468.707 5.828 1 0 JKAFRO [NH3+]CCCC[C@@H](NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026389370 563027225 /nfs/dbraw/zinc/02/72/25/563027225.db2.gz RNBVSRFJPOOHSJ-DEOSSOPVSA-N 1 0 468.490 5.719 1 0 JKAFRO COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCC[NH+]2CCC(C)CC2)cc(OC)c1 ZINC000026501483 563029149 /nfs/dbraw/zinc/02/91/49/563029149.db2.gz FTFGBSBKFGHMRC-UHFFFAOYSA-N 1 0 475.029 5.603 1 0 JKAFRO CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CC[NH+](CCc2scnc2C)CC1 ZINC000026567730 563029786 /nfs/dbraw/zinc/02/97/86/563029786.db2.gz LVTHAGRWQVUOHP-UHFFFAOYSA-N 1 0 451.611 5.568 1 0 JKAFRO CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CC[NH+](CCc2ccsc2)CC1 ZINC000026568608 563029835 /nfs/dbraw/zinc/02/98/35/563029835.db2.gz ILNHBOIRJNOOJT-UHFFFAOYSA-N 1 0 457.640 5.629 1 0 JKAFRO CCC(=O)N(c1ccccc1)C1(c2nc(C)c(C)s2)CC[NH+](CCc2ccsc2)CC1 ZINC000026572480 563030150 /nfs/dbraw/zinc/03/01/50/563030150.db2.gz KMCSACAASUKGNF-UHFFFAOYSA-N 1 0 453.677 5.798 1 0 JKAFRO COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1OCCCC[NH+](C)C ZINC000026573212 563030154 /nfs/dbraw/zinc/03/01/54/563030154.db2.gz MWSUARADAXHTLM-ZEQRLZLVSA-N 1 0 467.654 5.267 1 0 JKAFRO Oc1ccc2c(c1)S[C@H](CC1CCCCC1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026574401 563030300 /nfs/dbraw/zinc/03/03/00/563030300.db2.gz KFAQEVOHKOACDL-IZLXSDGUSA-N 1 0 467.675 6.822 1 0 JKAFRO CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)c(C(C)=O)c2)c2c([nH+]1)CCCC2 ZINC000026579110 563031218 /nfs/dbraw/zinc/03/12/18/563031218.db2.gz FJZQPOHKUMBTTB-UHFFFAOYSA-N 1 0 453.546 5.152 1 0 JKAFRO Clc1ccc([C@@H](c2ccccc2)N2CC[NH+](CCCOCc3ccc4ccccc4c3)CC2)cc1 ZINC000026643485 563031643 /nfs/dbraw/zinc/03/16/43/563031643.db2.gz JLKFMYIIEJUPGX-WJOKGBTCSA-N 1 0 485.071 6.807 1 0 JKAFRO COc1cccc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)c1 ZINC000026649933 563032089 /nfs/dbraw/zinc/03/20/89/563032089.db2.gz PJJZULVPTBLADB-MHZLTWQESA-N 1 0 492.685 5.369 1 0 JKAFRO O=C(c1ccccc1C(F)(F)F)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026652922 563032151 /nfs/dbraw/zinc/03/21/51/563032151.db2.gz VVGUUHULZSGJMJ-AHKZPQOWSA-N 1 0 492.585 6.441 1 0 JKAFRO Clc1ccc([C@@H](c2ccccc2)N2CC[NH+](CCOCc3cccc4ccccc43)CC2)cc1 ZINC000026651999 563032200 /nfs/dbraw/zinc/03/22/00/563032200.db2.gz CQSPSDSGIZADRI-SSEXGKCCSA-N 1 0 471.044 6.417 1 0 JKAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000026652947 563032248 /nfs/dbraw/zinc/03/22/48/563032248.db2.gz CJSNSSCOSAUHJH-PSAFMIEJSA-N 1 0 452.683 5.331 1 0 JKAFRO Oc1ccc([C@H]2Sc3c(F)c(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026656084 563032407 /nfs/dbraw/zinc/03/24/07/563032407.db2.gz YDQNHZBACNWIHI-IZZNHLLZSA-N 1 0 481.589 6.069 1 0 JKAFRO Oc1ccc([C@@H]2Sc3cc(O)c(F)cc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026656791 563032522 /nfs/dbraw/zinc/03/25/22/563032522.db2.gz BLAFSGUDLGHJCN-SXOMAYOGSA-N 1 0 481.589 6.069 1 0 JKAFRO Oc1cccc([C@H]2Sc3cc(O)ccc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000026663198 563032815 /nfs/dbraw/zinc/03/28/15/563032815.db2.gz NAULYXADLNIEES-KAYWLYCHSA-N 1 0 463.599 5.930 1 0 JKAFRO Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(-c6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026726545 563033967 /nfs/dbraw/zinc/03/39/67/563033967.db2.gz BODOIOJWEKAOMM-BESSAKRQSA-N 1 0 490.603 5.240 1 0 JKAFRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2[nH]nc3cccc(OCc4ccc(Cl)c(Cl)c4)c32)C1 ZINC000026727650 563034070 /nfs/dbraw/zinc/03/40/70/563034070.db2.gz OAYAVSHLOXDZCU-CVEARBPZSA-N 1 0 462.377 5.270 1 0 JKAFRO [NH3+]CCn1cc(C(=O)c2ccn3c2CS[C@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 ZINC000026737918 563034524 /nfs/dbraw/zinc/03/45/24/563034524.db2.gz OIKXOZGBRJFYGL-NDEPHWFRSA-N 1 0 482.584 5.627 1 0 JKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)C(c2cccc(-c3cccnc3)c2)C1C(=O)OCC(C)C ZINC000026746198 563034977 /nfs/dbraw/zinc/03/49/77/563034977.db2.gz XGAINKATSOXWQB-GAPOMRBKSA-N 1 0 462.590 6.222 1 0 JKAFRO CS(=O)(=O)Nc1ccc(CC[N@H+](CCOc2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026746932 563035094 /nfs/dbraw/zinc/03/50/94/563035094.db2.gz PRDICRPYXBFEQM-UHFFFAOYSA-N 1 0 474.626 5.335 1 0 JKAFRO O=C(c1ccc(F)cc1)C1CC[NH+](CCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2)CC1 ZINC000026753157 563035343 /nfs/dbraw/zinc/03/53/43/563035343.db2.gz XQDHWXPDFOVLCZ-UHFFFAOYSA-N 1 0 485.555 5.963 1 0 JKAFRO Cc1n(Cc2ccc(-c3ccccc3)cc2)cc[n+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000026821591 563035648 /nfs/dbraw/zinc/03/56/48/563035648.db2.gz WJIFEDQICDUYNL-UHFFFAOYSA-O 1 0 486.639 5.661 1 0 JKAFRO CSc1sc(C(N)=[NH2+])cc1-c1nc(-c2cnn(-c3ccccc3)c2OCC2CCC2)cs1 ZINC000026824861 563035822 /nfs/dbraw/zinc/03/58/22/563035822.db2.gz YIMJJUVMUFRTSH-UHFFFAOYSA-N 1 0 481.672 5.909 1 0 JKAFRO Cn1c2ccc(Cl)cc2c(CCC(=O)N2CC[NH+](CC3CC3)CC2)c1-c1ccc(Cl)cc1 ZINC000026827159 563036094 /nfs/dbraw/zinc/03/60/94/563036094.db2.gz UNHFQZJOHPNDJG-UHFFFAOYSA-N 1 0 470.444 5.639 1 0 JKAFRO CCOC(=O)c1c2c3cccc4cccc(c2cc2n1c1ccccc1[n+]2Cc1ccccc1)c34 ZINC000026831597 563036270 /nfs/dbraw/zinc/03/62/70/563036270.db2.gz ICSIUWAPMOTZIS-UHFFFAOYSA-N 1 0 455.537 6.406 1 0 JKAFRO CCC1=C(c2ccccc2)[C@@H](c2ccc(OCC[NH+]3CCCC3)cc2)Oc2cc(OC)ccc21 ZINC000026963530 563038220 /nfs/dbraw/zinc/03/82/20/563038220.db2.gz PUKJLWFRYHROLA-SSEXGKCCSA-N 1 0 455.598 6.624 1 0 JKAFRO O=c1oc2cc(O)ccc2c(-c2ccc(OCCC[NH+]3CCCCC3)cc2)c1-c1ccccc1 ZINC000027077823 563038990 /nfs/dbraw/zinc/03/89/90/563038990.db2.gz MKHWLAQBNKVULY-UHFFFAOYSA-N 1 0 455.554 6.087 1 0 JKAFRO O=c1oc2cc(O)ccc2c(-c2cccc(OCCC[NH+]3CCCCC3)c2)c1-c1ccccc1 ZINC000027083642 563039059 /nfs/dbraw/zinc/03/90/59/563039059.db2.gz LHAMGEOBDBJIJI-UHFFFAOYSA-N 1 0 455.554 6.087 1 0 JKAFRO O=c1oc2cc(O)ccc2c(-c2ccc(OCCCCCC[NH+]3CCCCC3)cc2)c1-c1ccccc1 ZINC000027087751 563039372 /nfs/dbraw/zinc/03/93/72/563039372.db2.gz BTDBDOGYGNDRGU-UHFFFAOYSA-N 1 0 497.635 7.258 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCC[C@H]2CO[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000027187547 563040834 /nfs/dbraw/zinc/04/08/34/563040834.db2.gz NIDUNJHZZKTAFQ-WNCULLNHSA-N 1 0 470.440 6.815 1 0 JKAFRO COc1ccc(CC[NH+]2CCC(CO[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000027185938 563040908 /nfs/dbraw/zinc/04/09/08/563040908.db2.gz HJFYSKIZSZOYAX-MUUNZHRXSA-N 1 0 450.022 6.409 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCC[C@H]2CO[C@H](c2ccccc2)c2ccc(Br)cc2)cc1 ZINC000027189262 563040979 /nfs/dbraw/zinc/04/09/79/563040979.db2.gz IPDIZSCHAHNAMO-AHKZPQOWSA-N 1 0 480.446 6.271 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCC[C@@H](COC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc1 ZINC000027198454 563041300 /nfs/dbraw/zinc/04/13/00/563041300.db2.gz CWTRIHXSRDUMGU-JOCHJYFZSA-N 1 0 484.467 7.063 1 0 JKAFRO COc1ccc(C[C@H]2CN3C(=[NH+]C[C@@H]3C3CCCCC3)N2[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027205242 563041650 /nfs/dbraw/zinc/04/16/50/563041650.db2.gz CZTBHIMDQIEDMY-PPDJRBOQSA-N 1 0 475.721 6.147 1 0 JKAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2Cc1ccccc1 ZINC000027211169 563042013 /nfs/dbraw/zinc/04/20/13/563042013.db2.gz DVAFIFWOFNIVEV-YYGZZXRFSA-N 1 0 477.551 5.666 1 0 JKAFRO CCC[NH+](CCC)[C@@H]1CCc2c(ccc([C@@H](O)Cc3ccc(Cl)c(Cl)c3)c2OC)C1 ZINC000027331794 563043142 /nfs/dbraw/zinc/04/31/42/563043142.db2.gz SNKGBCKUVWDTSB-DVECYGJZSA-N 1 0 450.450 6.257 1 0 JKAFRO C=Cc1cccc([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CC[NH2+]CC2)c1C=C ZINC000027438352 563044279 /nfs/dbraw/zinc/04/42/79/563044279.db2.gz PDKAKBKHMCQDHQ-HSZRJFAPSA-N 1 0 484.484 6.173 1 0 JKAFRO C=Cc1ccc([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CC[NH2+]CC2)cc1C=C ZINC000027437952 563044298 /nfs/dbraw/zinc/04/42/98/563044298.db2.gz NZUGQDNKOUVIOO-HSZRJFAPSA-N 1 0 484.484 6.173 1 0 JKAFRO C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)[NH+](C)C ZINC000027439955 563044367 /nfs/dbraw/zinc/04/43/67/563044367.db2.gz XIHQWIIPJIXLEO-FXHHUKKCSA-N 1 0 466.710 5.365 1 0 JKAFRO NC(=[NH2+])c1cccc(C[C@H](CO)[C@H](/C=C/c2ccccc2)NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000027521987 563045045 /nfs/dbraw/zinc/04/50/45/563045045.db2.gz DJRCYKRRZXJXEI-QELAJYPZSA-N 1 0 489.619 5.301 1 0 JKAFRO O[C@H](c1cc(-c2cccc(C(F)(F)F)c2)nc2c1cccc2C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000027523675 563045305 /nfs/dbraw/zinc/04/53/05/563045305.db2.gz FJCHTACKGSXILE-WIYYLYMNSA-N 1 0 454.414 6.115 1 0 JKAFRO NC(=[NH2+])Nc1ccc(N2c3ccccc3C(c3ccccc3)=N[C@@H](Cc3ccccc3)C2=O)cc1 ZINC000027524753 563045401 /nfs/dbraw/zinc/04/54/01/563045401.db2.gz UGTKYHWANOEDAW-VWLOTQADSA-N 1 0 459.553 5.119 1 0 JKAFRO Clc1cc(Cl)cc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027526348 563045558 /nfs/dbraw/zinc/04/55/58/563045558.db2.gz VLLJECVRBGSGCF-RRPNLBNLSA-N 1 0 452.425 6.805 1 0 JKAFRO Cc1ccc(OCc2sc3ccccc3c2CCN2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000027548391 563045898 /nfs/dbraw/zinc/04/58/98/563045898.db2.gz JWDOLSUXPXUZTH-UHFFFAOYSA-N 1 0 487.507 6.120 1 0 JKAFRO Oc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2cc(Cl)cc(Cl)c2)cc1 ZINC000027560290 563046736 /nfs/dbraw/zinc/04/67/36/563046736.db2.gz RDJAPAGERPDRCJ-UHFFFAOYSA-N 1 0 453.413 7.002 1 0 JKAFRO CN(C)c1ccc(-c2cc(-c3ccc(N)cc3)[s+]c(-c3ccc(N4CCOCC4)cc3)c2)cc1 ZINC000027561128 563046778 /nfs/dbraw/zinc/04/67/78/563046778.db2.gz QYKYSCIBLIHRBE-UHFFFAOYSA-N 1 0 468.646 6.515 1 0 JKAFRO CC1(C)CC(NC(=O)c2cccc(CC(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC(C)(C)[NH2+]1 ZINC000027561451 563046878 /nfs/dbraw/zinc/04/68/78/563046878.db2.gz XBJCQTTVNQVVSH-UHFFFAOYSA-N 1 0 462.421 5.214 1 0 JKAFRO COc1ccc(C[C@@H]2[NH2+]CCc3cc4c(cc32)C[C@H]([C@H](C)CSc2ccccc2)O4)cc1OC ZINC000027561304 563046943 /nfs/dbraw/zinc/04/69/43/563046943.db2.gz LWLPEHDZZFQCBB-WMTVXVAQSA-N 1 0 475.654 5.865 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)nc1)NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027641343 563048110 /nfs/dbraw/zinc/04/81/10/563048110.db2.gz NRAYHNWMAXNFDY-JQIJEIRASA-N 1 0 489.063 5.052 1 0 JKAFRO C[C@H](CC[NH+]1CCC(C)CC1)[C@@H](C)S(=O)(=O)c1ccc(Br)c(Br)c1 ZINC000027641230 563048115 /nfs/dbraw/zinc/04/81/15/563048115.db2.gz LOCLINPOLCLDES-HUUCEWRRSA-N 1 0 481.294 5.132 1 0 JKAFRO CN(C)c1ccc(CC(=O)NCCCCCCCCCCC[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027652828 563048808 /nfs/dbraw/zinc/04/88/08/563048808.db2.gz KGTVOWZTZYDKRO-UHFFFAOYSA-N 1 0 481.769 6.481 1 0 JKAFRO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(CCCCNC(=O)/C=C/c3cccnc3)CC2)cc1C ZINC000027655178 563049017 /nfs/dbraw/zinc/04/90/17/563049017.db2.gz LZVYXXLTWLMUDK-XSWVMQTGSA-N 1 0 482.672 5.015 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000027656115 563049101 /nfs/dbraw/zinc/04/91/01/563049101.db2.gz LLVVLLGAUGKPHK-LOYHVIPDSA-N 1 0 471.641 6.647 1 0 JKAFRO Cc1ccc(/C=C/C(=O)NCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)n1 ZINC000027656053 563049170 /nfs/dbraw/zinc/04/91/70/563049170.db2.gz HZJPQPCMQRQGRU-ISLYRVAYSA-N 1 0 482.672 5.015 1 0 JKAFRO Cn1c2ccccc2c2c1CC[C@@H](C[NH+]1CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)C2=O ZINC000027740357 563050985 /nfs/dbraw/zinc/05/09/85/563050985.db2.gz GMBNAWIYSADMKL-DEOSSOPVSA-N 1 0 496.601 6.800 1 0 JKAFRO COc1cc2c(cc1OC)[C@@H](CC[NH+]1CCN(c3cccc(Cl)c3)CC1)OCC(C)(C)C2 ZINC000027740846 563051075 /nfs/dbraw/zinc/05/10/75/563051075.db2.gz JCQADVNJQMJDRK-HSZRJFAPSA-N 1 0 459.030 5.210 1 0 JKAFRO CCCCC(=O)O[C@H]1C(=O)N(CC[NH+](C)C)c2ccc(Cl)cc2S[C@@H]1c1ccc(OC)cc1 ZINC000027754173 563051327 /nfs/dbraw/zinc/05/13/27/563051327.db2.gz CJYJYLLYIVLLTE-DNQXCXABSA-N 1 0 491.053 5.192 1 0 JKAFRO CN(C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000027758625 563051415 /nfs/dbraw/zinc/05/14/15/563051415.db2.gz VIQRKPSFJFZYIZ-LOSJGSFVSA-N 1 0 483.439 5.392 1 0 JKAFRO FC(F)(F)c1ccc(Cn2c3cc(Cl)c(Cl)cc3nc2C2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000027767475 563051600 /nfs/dbraw/zinc/05/16/00/563051600.db2.gz JKZJGSLVTMJKDI-UHFFFAOYSA-N 1 0 496.282 6.896 1 0 JKAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccccc2[C@H](c2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000027843890 563051681 /nfs/dbraw/zinc/05/16/81/563051681.db2.gz UXKHSXGDSCQIHI-KMDNEMHUSA-N 1 0 493.478 6.736 1 0 JKAFRO COc1ccc2c(c1OC)CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027847756 563051809 /nfs/dbraw/zinc/05/18/09/563051809.db2.gz SOPCFNVPBFYXPO-URXFXBBRSA-N 1 0 477.432 5.163 1 0 JKAFRO S=C(NN1CC=C(c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)CC1)c1cccc2ccccc21 ZINC000027854878 563051940 /nfs/dbraw/zinc/05/19/40/563051940.db2.gz NYUGENFOMDVBBK-UHFFFAOYSA-N 1 0 480.681 5.929 1 0 JKAFRO Fc1ccc(C(CCC[NH+]2CCC(c3noc4ccc(F)cc43)CC2)c2ccc(F)cc2)cc1 ZINC000027871701 563052404 /nfs/dbraw/zinc/05/24/04/563052404.db2.gz FVQOFXJPTWIAFY-UHFFFAOYSA-N 1 0 464.531 7.037 1 0 JKAFRO Oc1ccc2onc(C3CC[NH+](CCCC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2c1 ZINC000027874195 563052538 /nfs/dbraw/zinc/05/25/38/563052538.db2.gz SANHMXJDHDPNDE-UHFFFAOYSA-N 1 0 462.540 6.603 1 0 JKAFRO CC(C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000027983413 563053642 /nfs/dbraw/zinc/05/36/42/563053642.db2.gz FOPXDADZAWFTOK-UHFFFAOYSA-N 1 0 457.619 5.301 1 0 JKAFRO CC(C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1CCc1ccc(S(N)(=O)=O)cc1 ZINC000027997006 563054203 /nfs/dbraw/zinc/05/42/03/563054203.db2.gz IEJIBIRYHBMAPO-UHFFFAOYSA-N 1 0 471.646 5.496 1 0 JKAFRO CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[NH2+][C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000028003654 563054425 /nfs/dbraw/zinc/05/44/25/563054425.db2.gz KTVWVGWMTMHWJY-LOEYWMHASA-N 1 0 455.771 7.389 1 0 JKAFRO COc1ccc(OCCC[N@H+](C)C2CCCCC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007370 563054603 /nfs/dbraw/zinc/05/46/03/563054603.db2.gz IWKCKEQQVNDKCP-AREMUKBSSA-N 1 0 454.636 5.886 1 0 JKAFRO COc1cccc([C@H]2Sc3ccccc3N2C(C)=O)c1OCCCC[N@H+](C)C1CCCCC1 ZINC000028011379 563054772 /nfs/dbraw/zinc/05/47/72/563054772.db2.gz LJOVLGGLKFMQLM-HHHXNRCGSA-N 1 0 468.663 6.276 1 0 JKAFRO COc1ccc(OCCCCCC[N@H+](C)C2CCCCC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028012544 563054858 /nfs/dbraw/zinc/05/48/58/563054858.db2.gz PGWMWBRDGQAYGW-GDLZYMKVSA-N 1 0 496.717 7.056 1 0 JKAFRO CCC(=O)N1c2ccccc2S[C@@H]1c1cc(OC)ccc1OCCCCC[N@H+](C)C1CCCCC1 ZINC000028019246 563055183 /nfs/dbraw/zinc/05/51/83/563055183.db2.gz YXHMVUPATIVLEB-GDLZYMKVSA-N 1 0 496.717 7.056 1 0 JKAFRO C[N@H+](CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028120152 563056725 /nfs/dbraw/zinc/05/67/25/563056725.db2.gz IRLIASOPYFRZMR-UHFFFAOYSA-N 1 0 494.797 7.540 1 0 JKAFRO CC[C@@H]1c2cc(O)ccc2O[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000028130802 563057361 /nfs/dbraw/zinc/05/73/61/563057361.db2.gz HHCGRISNJFDPKZ-POLDFPFKSA-N 1 0 473.613 6.374 1 0 JKAFRO O=C(c1cccc2cccnc21)N1CCC([NH+]2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000028132130 563057421 /nfs/dbraw/zinc/05/74/21/563057421.db2.gz XZFBUJIMEMZOAG-UHFFFAOYSA-N 1 0 482.455 6.101 1 0 JKAFRO Cc1ccccc1NC(=O)N1CCC([NH+]2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000028134686 563057507 /nfs/dbraw/zinc/05/75/07/563057507.db2.gz URNUCHUQGSEAQC-UHFFFAOYSA-N 1 0 460.449 6.253 1 0 JKAFRO Cc1ccccc1CC(=O)N1CCC([NH+]2CCC(Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000028134411 563057530 /nfs/dbraw/zinc/05/75/30/563057530.db2.gz XXFFTNXHIBHWRD-UHFFFAOYSA-N 1 0 459.461 5.790 1 0 JKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1 ZINC000028224586 563058029 /nfs/dbraw/zinc/05/80/29/563058029.db2.gz NSPDLBYWTUWWDX-MUUNZHRXSA-N 1 0 470.484 8.263 1 0 JKAFRO Clc1cc2nc(C3CC[NH2+]CC3)n(CCCCCn3cnc4ccccc43)c2cc1Cl ZINC000028229157 563058223 /nfs/dbraw/zinc/05/82/23/563058223.db2.gz WVXJQGCKGNBJDV-UHFFFAOYSA-N 1 0 456.421 6.030 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(N3CCC[NH2+]CC3)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028229904 563058301 /nfs/dbraw/zinc/05/83/01/563058301.db2.gz VCFGVTIDRNGBCO-UHFFFAOYSA-N 1 0 459.981 5.039 1 0 JKAFRO COc1ccc(/C=C2\c3ccccc3N(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000028234560 563058401 /nfs/dbraw/zinc/05/84/01/563058401.db2.gz RMNIFYDDXMZEBG-NHFJDJAPSA-N 1 0 488.031 5.448 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(C(=[NH2+])N3CCCCC3)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028234947 563058462 /nfs/dbraw/zinc/05/84/62/563058462.db2.gz YORIHLYMSKNWQY-UHFFFAOYSA-N 1 0 489.982 6.190 1 0 JKAFRO O=C(CSc1nc2ccccc2s1)NC[C@@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000028236347 563058572 /nfs/dbraw/zinc/05/85/72/563058572.db2.gz IRFNTNBTSFCHKY-IBGZPJMESA-N 1 0 461.656 5.570 1 0 JKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CC[NH+](CCc4ccccc4)CC3)cc21 ZINC000028243111 563058687 /nfs/dbraw/zinc/05/86/87/563058687.db2.gz VWDYUHCNZFUOIO-NTCAYCPXSA-N 1 0 493.651 5.349 1 0 JKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CC[NH+](CC4CCCCC4)CC3)cc21 ZINC000028243417 563058724 /nfs/dbraw/zinc/05/87/24/563058724.db2.gz XGPISXOAIFWDQL-NTCAYCPXSA-N 1 0 485.672 5.687 1 0 JKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C)c3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028243916 563058845 /nfs/dbraw/zinc/05/88/45/563058845.db2.gz HODIMAJDBWSWFE-SDNWHVSQSA-N 1 0 493.651 5.615 1 0 JKAFRO Oc1ccc2c(c1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)[C@@H]1c3ccc(O)cc3CC[C@H]21 ZINC000028264205 563059434 /nfs/dbraw/zinc/05/94/34/563059434.db2.gz INFDJQRWZNSFNW-CCNCKIRNSA-N 1 0 455.598 5.922 1 0 JKAFRO C[C@H]1CC[N@H+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4[C@@H](C)[C@@H]3c3ccc(O)cc3)cc2)C1 ZINC000028335730 563059965 /nfs/dbraw/zinc/05/99/65/563059965.db2.gz OCOJLTOWRUXQCT-WYSYQWHRSA-N 1 0 459.586 5.839 1 0 JKAFRO C[C@@H]1c2ccc(O)cc2O[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000028344966 563060732 /nfs/dbraw/zinc/06/07/32/563060732.db2.gz QZFNCDFOOSETTB-FXAGJUNHSA-N 1 0 459.586 5.984 1 0 JKAFRO CN(C(=O)Cc1ccc(F)c(F)c1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028347334 563060848 /nfs/dbraw/zinc/06/08/48/563060848.db2.gz SALUDWMGUWBALL-UHFFFAOYSA-N 1 0 462.584 5.652 1 0 JKAFRO CCN(C(=O)NCc1ccc(OC)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028347912 563060914 /nfs/dbraw/zinc/06/09/14/563060914.db2.gz SIVWWYCIHYHYOX-UHFFFAOYSA-N 1 0 485.672 5.913 1 0 JKAFRO O=C(NCc1ccc(-c2cccs2)s1)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000028348670 563060921 /nfs/dbraw/zinc/06/09/21/563060921.db2.gz APNNOVMOGIMLMP-DQEYMECFSA-N 1 0 472.679 6.718 1 0 JKAFRO C[C@H](C[NH+]1CCCC1)Oc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1 ZINC000028348856 563060927 /nfs/dbraw/zinc/06/09/27/563060927.db2.gz TXYRLWYXGWLWIJ-BLIZRMSTSA-N 1 0 463.599 5.928 1 0 JKAFRO Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@@H]2C(=O)NCc2ccc(-c3cccs3)s2)cc1 ZINC000028350155 563060945 /nfs/dbraw/zinc/06/09/45/563060945.db2.gz IQQASFYBEIICSP-UIOOFZCWSA-N 1 0 486.706 7.027 1 0 JKAFRO C[C@H]1CC[N@H+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1 ZINC000028350246 563060960 /nfs/dbraw/zinc/06/09/60/563060960.db2.gz CTKCIBJHOHRDAM-RHLLTPQKSA-N 1 0 463.599 5.786 1 0 JKAFRO C[C@@H]1CC[N@H+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1 ZINC000028350047 563061025 /nfs/dbraw/zinc/06/10/25/563061025.db2.gz CTKCIBJHOHRDAM-BLIZRMSTSA-N 1 0 463.599 5.786 1 0 JKAFRO COc1ccc(Cl)c(O[C@H](CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 ZINC000028351159 563061099 /nfs/dbraw/zinc/06/10/99/563061099.db2.gz ROFZYAIHNKKOTB-HSZRJFAPSA-N 1 0 458.002 5.122 1 0 JKAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028352204 563061145 /nfs/dbraw/zinc/06/11/45/563061145.db2.gz FNWDOGDBAZKOPX-UHFFFAOYSA-N 1 0 495.494 6.681 1 0 JKAFRO C[C@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)[N@@H+]1CC[C@H](C)C1 ZINC000028352981 563061228 /nfs/dbraw/zinc/06/12/28/563061228.db2.gz HQIHZXMANDEWIH-WZZYAGEBSA-N 1 0 477.626 6.174 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@H](c2ccc([C@@H](O)CC[NH+]3CCCCC3)cc2)c2c(O)cccc2C1 ZINC000028370367 563062329 /nfs/dbraw/zinc/06/23/29/563062329.db2.gz ZJPSGOJUQUBVBJ-PWUYWRBVSA-N 1 0 485.649 6.306 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@@H](c2ccc([C@@H](O)CC[NH+]3CCCCC3)cc2)c2ccccc2C1 ZINC000028371409 563062430 /nfs/dbraw/zinc/06/24/30/563062430.db2.gz VAYMOEILCNGWNC-WNJJXGMVSA-N 1 0 469.650 6.601 1 0 JKAFRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000028383430 563063111 /nfs/dbraw/zinc/06/31/11/563063111.db2.gz QWMKDONQFULFHL-HSZRJFAPSA-N 1 0 458.562 5.337 1 0 JKAFRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2noc(-c3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000028390049 563063537 /nfs/dbraw/zinc/06/35/37/563063537.db2.gz JOVZTLZGIDTJFC-HSZRJFAPSA-N 1 0 468.557 5.410 1 0 JKAFRO CCOc1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1C(=O)NCC[NH+](CC)CC ZINC000028392291 563063634 /nfs/dbraw/zinc/06/36/34/563063634.db2.gz YHJKXFOFXSGYAS-UHFFFAOYSA-N 1 0 490.604 5.593 1 0 JKAFRO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028456195 563064057 /nfs/dbraw/zinc/06/40/57/563064057.db2.gz RVAYLSXIBUWLKW-UHFFFAOYSA-N 1 0 468.567 6.844 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccc(C(=O)N(C)C)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028456602 563064131 /nfs/dbraw/zinc/06/41/31/563064131.db2.gz BCWRWAIVCSKANG-HNRBIFIRSA-N 1 0 497.639 5.360 1 0 JKAFRO [NH3+]CCCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 ZINC000028457321 563064224 /nfs/dbraw/zinc/06/42/24/563064224.db2.gz AAGZRVOOYSMCNM-UHFFFAOYSA-N 1 0 455.631 6.043 1 0 JKAFRO Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000028465165 563064930 /nfs/dbraw/zinc/06/49/30/563064930.db2.gz UBDILVCTGRHAIK-OAQYLSRUSA-N 1 0 474.476 5.408 1 0 JKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)C1CCCCC1 ZINC000028468144 563065112 /nfs/dbraw/zinc/06/51/12/563065112.db2.gz WILUNEYZEWUFIC-FQEVSTJZSA-N 1 0 466.497 5.366 1 0 JKAFRO Cc1cc(C)c(-n2c3ccccc3n3c(C[NH+](CC4CC4)CC4CC4)c(C(F)(F)F)nc32)c(C)c1 ZINC000028469757 563065193 /nfs/dbraw/zinc/06/51/93/563065193.db2.gz NNPQOYSAUKBOEH-UHFFFAOYSA-N 1 0 480.578 6.844 1 0 JKAFRO Cc1ccccc1CC(=O)NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000028471825 563065413 /nfs/dbraw/zinc/06/54/13/563065413.db2.gz SSLBLYODMSIXSC-JOCHJYFZSA-N 1 0 488.503 5.337 1 0 JKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cccc2[nH]ccc21 ZINC000028472292 563065555 /nfs/dbraw/zinc/06/55/55/563065555.db2.gz FTRTZQXKLFEYED-HXUWFJFHSA-N 1 0 499.486 5.581 1 0 JKAFRO O=C(Cc1cc(Cl)cc(Cl)c1)NC[C@H](c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028478138 563066164 /nfs/dbraw/zinc/06/61/64/563066164.db2.gz XZZHXQBAHUQDLK-RUZDIDTESA-N 1 0 474.476 5.344 1 0 JKAFRO C[NH+]1CCN([C@@H](CNC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000028520262 563066176 /nfs/dbraw/zinc/06/61/76/563066176.db2.gz XZKKETDVVOCNFX-IBGZPJMESA-N 1 0 475.342 5.122 1 0 JKAFRO Cc1ccc(NC(=O)NC[C@H](CC(C)C)[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000028522426 563066481 /nfs/dbraw/zinc/06/64/81/563066481.db2.gz GZODQAPLJTZKMB-NRFANRHFSA-N 1 0 463.453 5.660 1 0 JKAFRO COc1ccccc1CC[NH2+]C[C@H](c1ccc(C(C)(C)C)cc1)N1CCN(c2ccccc2)CC1 ZINC000028522476 563066603 /nfs/dbraw/zinc/06/66/03/563066603.db2.gz BIKFSSUQPVPOTQ-GDLZYMKVSA-N 1 0 471.689 5.688 1 0 JKAFRO COc1ccc(CC[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028523124 563066654 /nfs/dbraw/zinc/06/66/54/563066654.db2.gz NKQKBALSOAMMEY-HHHXNRCGSA-N 1 0 483.578 5.410 1 0 JKAFRO COc1ccc(CC[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028523125 563066680 /nfs/dbraw/zinc/06/66/80/563066680.db2.gz NKQKBALSOAMMEY-MHZLTWQESA-N 1 0 483.578 5.410 1 0 JKAFRO Fc1ccc(CC[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028523034 563066746 /nfs/dbraw/zinc/06/67/46/563066746.db2.gz NITHQGQKKAWDKI-SANMLTNESA-N 1 0 471.542 5.540 1 0 JKAFRO O=C(Nc1ccc2n[nH]cc2c1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H](Cc2ccc(F)cc2)C1 ZINC000028523389 563066769 /nfs/dbraw/zinc/06/67/69/563066769.db2.gz MLPROCBAZKTJHS-TYBLODHISA-N 1 0 463.601 5.337 1 0 JKAFRO Oc1cccc(-c2ccc3c4c2O[C@@H]2c5[nH]c6ccccc6c5C[C@@]5(O)[C@@H](C3)[N@H+](CC3CC3)CC[C@]425)c1 ZINC000028523243 563066819 /nfs/dbraw/zinc/06/68/19/563066819.db2.gz RYVAAONGSGXIGR-KLWPZSMLSA-N 1 0 490.603 5.240 1 0 JKAFRO CN(C)c1ccc(CC[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028523635 563066882 /nfs/dbraw/zinc/06/68/82/563066882.db2.gz IIFVPKZATLNHGU-MUUNZHRXSA-N 1 0 496.621 5.467 1 0 JKAFRO O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C2CCCCC2)CC1)Nc1ccc(F)cc1 ZINC000028523628 563066892 /nfs/dbraw/zinc/06/68/92/563066892.db2.gz KUHRWURAPYZJGN-DEOSSOPVSA-N 1 0 492.561 5.658 1 0 JKAFRO COc1ccc(NC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523703 563066960 /nfs/dbraw/zinc/06/69/60/563066960.db2.gz CUUICAFATAIIHS-NDEPHWFRSA-N 1 0 492.708 5.806 1 0 JKAFRO O=C(Nc1cccc2c1CN(Cc1cccc(CNc3cc[nH+]cc3)c1)C2=O)c1ccc(Cl)s1 ZINC000028526584 563067997 /nfs/dbraw/zinc/06/79/97/563067997.db2.gz LRGYNNKHBMLPRD-UHFFFAOYSA-N 1 0 489.000 5.817 1 0 JKAFRO O=S(=O)(c1ccc(Cl)c(Cl)c1)n1cc([C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000028527075 563068100 /nfs/dbraw/zinc/06/81/00/563068100.db2.gz XDTDNGOPBLKLPK-IBGZPJMESA-N 1 0 485.436 6.175 1 0 JKAFRO CC(=O)N1CC[C@H](c2ccccc2)c2cccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)c21 ZINC000028527284 563068123 /nfs/dbraw/zinc/06/81/23/563068123.db2.gz VCDWPVFNXMVFOB-RUZDIDTESA-N 1 0 496.680 5.550 1 0 JKAFRO CC(C)(C)OC[C@H](O)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028527447 563068207 /nfs/dbraw/zinc/06/82/07/563068207.db2.gz YZNXPVWXOPQROK-HSZRJFAPSA-N 1 0 451.586 5.238 1 0 JKAFRO C[C@@H]1CN(c2cccc3cc(F)ccc32)CC[N@@H+]1CC[C@@H]1OCCc2c(Cl)c(C(N)=O)sc21 ZINC000028528468 563068253 /nfs/dbraw/zinc/06/82/53/563068253.db2.gz CAALEIZWPZRHJM-VFNWGFHPSA-N 1 0 488.028 5.007 1 0 JKAFRO COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000028528168 563068275 /nfs/dbraw/zinc/06/82/75/563068275.db2.gz NHGIYDWPNQLBJG-UHFFFAOYSA-N 1 0 464.393 5.313 1 0 JKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(-c2ccc(O)cc2)cc(-c2ccc(OC)c(OC)c2)n1 ZINC000028530710 563068774 /nfs/dbraw/zinc/06/87/74/563068774.db2.gz BMFOEHHMRCTSLU-LJQANCHMSA-N 1 0 464.610 5.456 1 0 JKAFRO COc1ccc(Cl)c(Nc2ncnc3cc(OCCC[NH+]4CCCC4)cc(OC(C)C)c32)n1 ZINC000028564474 563069219 /nfs/dbraw/zinc/06/92/19/563069219.db2.gz RBHWODURJKYDNR-UHFFFAOYSA-N 1 0 471.989 5.082 1 0 JKAFRO Cc1cc(N(C)CC[NH+](C)C)nc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc12 ZINC000028569688 563070567 /nfs/dbraw/zinc/07/05/67/563070567.db2.gz MUQXGLHKHJSSCE-UHFFFAOYSA-N 1 0 454.574 5.586 1 0 JKAFRO Cc1cc(N(C)CC[NH+](C)C)nc2ccc(NC(=O)CCc3ccc(OC(F)(F)F)cc3)cc12 ZINC000028570201 563070654 /nfs/dbraw/zinc/07/06/54/563070654.db2.gz ZRGODGYQZOLGQP-UHFFFAOYSA-N 1 0 474.527 5.011 1 0 JKAFRO COc1ccc(/C=C2\C[C@@H](c3ccc(OCC[NH+]4CCCCC4)cc3)Oc3cc(OC)ccc32)cc1 ZINC000028604461 563071624 /nfs/dbraw/zinc/07/16/24/563071624.db2.gz QHBIIAOFKNJKOJ-NPBIFOJTSA-N 1 0 485.624 6.633 1 0 JKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000028636832 563071879 /nfs/dbraw/zinc/07/18/79/563071879.db2.gz ZOYKEAZXWHUXDZ-DLFZDVPBSA-N 1 0 471.641 6.153 1 0 JKAFRO NC(=[NH2+])N[C@H](COCCCCCCCCOc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000028645069 563073238 /nfs/dbraw/zinc/07/32/38/563073238.db2.gz KZKIZGJJAQKKBK-GDLZYMKVSA-N 1 0 489.660 6.226 1 0 JKAFRO Cc1ccc(C2=CC[C@@H](N(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650250 563073775 /nfs/dbraw/zinc/07/37/75/563073775.db2.gz BWGKUHVGLLNUIX-HXUWFJFHSA-N 1 0 462.034 6.415 1 0 JKAFRO O=C(OCCCC[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000028650664 563073833 /nfs/dbraw/zinc/07/38/33/563073833.db2.gz POYPPSSYHBKLEI-UHFFFAOYSA-N 1 0 478.032 6.548 1 0 JKAFRO O=C(OCCCC[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1)c1cccc(F)c1 ZINC000028650668 563073836 /nfs/dbraw/zinc/07/38/36/563073836.db2.gz DYTKBQNLTOIBHE-UHFFFAOYSA-N 1 0 461.577 6.033 1 0 JKAFRO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000028702484 563074618 /nfs/dbraw/zinc/07/46/18/563074618.db2.gz PLEKLOVYPVBULM-OALUTQOASA-N 1 0 463.796 5.499 1 0 JKAFRO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccnc(OCC[NH+]4CCCC4)c3)nnc2c1 ZINC000028702875 563074792 /nfs/dbraw/zinc/07/47/92/563074792.db2.gz YHHHJKZCRBUOTD-UHFFFAOYSA-N 1 0 454.578 5.230 1 0 JKAFRO [NH3+]CCCCOc1ccc(-c2cc(-c3cccc(Cl)c3)nc3c2CC(=O)Nc2ccccc2-3)cc1 ZINC000028704125 563075154 /nfs/dbraw/zinc/07/51/54/563075154.db2.gz GAGZEMDAPOTYEO-UHFFFAOYSA-N 1 0 483.999 6.348 1 0 JKAFRO CC(C)c1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CC[N@H+](C)CC2 ZINC000028704226 563075189 /nfs/dbraw/zinc/07/51/89/563075189.db2.gz JCGVHNRXCIXGCT-UHFFFAOYSA-N 1 0 469.050 5.962 1 0 JKAFRO Oc1ccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccnc(-c4ccc(O)cc4)c3)ccn2)cc1 ZINC000028707558 563075706 /nfs/dbraw/zinc/07/57/06/563075706.db2.gz NGMAISDAWPKCAY-WMPKNSHKSA-N 1 0 478.596 5.071 1 0 JKAFRO O=S1(=O)CCC(c2ccc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000028710037 563076027 /nfs/dbraw/zinc/07/60/27/563076027.db2.gz UGWRDFFACAHWMU-UHFFFAOYSA-N 1 0 495.641 5.495 1 0 JKAFRO O=C(CCC[NH+]1CCC(c2cccc(NC(=O)C3CCCCC3)c2)CC1)c1ccc(Cl)cc1 ZINC000028710573 563076252 /nfs/dbraw/zinc/07/62/52/563076252.db2.gz LMCSTGAXXHEOCA-UHFFFAOYSA-N 1 0 467.053 6.701 1 0 JKAFRO C[N@@H+]1CCC[C@@H]1COc1cc(Nc2nc3cc(Oc4ccnc5[nH]ccc54)ccc3o2)ccc1Cl ZINC000028711367 563076371 /nfs/dbraw/zinc/07/63/71/563076371.db2.gz BIJITFOSDDPLRR-QGZVFWFLSA-N 1 0 489.963 6.366 1 0 JKAFRO COc1ccccc1N1CC[NH+](CCCCOc2ccc(-c3cn4cccc(C)c4n3)cc2)CC1 ZINC000028711430 563076492 /nfs/dbraw/zinc/07/64/92/563076492.db2.gz DZWGDUHDXDFOQC-UHFFFAOYSA-N 1 0 470.617 5.300 1 0 JKAFRO NC(=[NH2+])Nc1ccc(N2c3ccccc3C(CC3CCCCC3)=NN(Cc3ccccc3)C2=O)cc1 ZINC000028711863 563076577 /nfs/dbraw/zinc/07/65/77/563076577.db2.gz WWMSLCULYOVWHB-UHFFFAOYSA-N 1 0 480.616 6.440 1 0 JKAFRO Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@@H]1CCC[N@H+](CCF)C1 ZINC000028711922 563076650 /nfs/dbraw/zinc/07/66/50/563076650.db2.gz ZBNUMBIWAMLVIU-OAQYLSRUSA-N 1 0 490.022 6.374 1 0 JKAFRO CC[N@@H+]1CCC[C@@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2C)C1 ZINC000028711899 563076683 /nfs/dbraw/zinc/07/66/83/563076683.db2.gz GXCPGQHYWOEKEE-OAQYLSRUSA-N 1 0 472.032 6.424 1 0 JKAFRO Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000028711894 563076686 /nfs/dbraw/zinc/07/66/86/563076686.db2.gz KYGGFRZALCCXKR-JOCHJYFZSA-N 1 0 485.603 6.424 1 0 JKAFRO Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000028711917 563076688 /nfs/dbraw/zinc/07/66/88/563076688.db2.gz ZWJUVKLTZNPXPZ-JOCHJYFZSA-N 1 0 498.070 6.957 1 0 JKAFRO Fc1ccc(C(OCC[N@H+]2C[C@H]3C[C@@H](C2)N3C/C=C/c2ccco2)c2ccc(F)cc2)cc1 ZINC000028713798 563077421 /nfs/dbraw/zinc/07/74/21/563077421.db2.gz RXFSSIBBTCDESN-FJNLCSFGSA-N 1 0 450.529 5.136 1 0 JKAFRO NC(=[NH2+])SCCOc1oc(=O)c2cc(NC(=O)Nc3cccc4ccccc43)ccc2c1Cl ZINC000028757603 563077874 /nfs/dbraw/zinc/07/78/74/563077874.db2.gz XFWZRFIIEXWPIC-UHFFFAOYSA-N 1 0 482.949 5.249 1 0 JKAFRO CC[NH+](CC)C1CCC(Nc2nc3ccccc3c(Nc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000028771779 563079160 /nfs/dbraw/zinc/07/91/60/563079160.db2.gz DHUFCGXOEIPKPY-UHFFFAOYSA-N 1 0 457.544 6.457 1 0 JKAFRO CON=c1nc[nH]c2c1[n+](CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)cn2C(C)C ZINC000028816580 563079535 /nfs/dbraw/zinc/07/95/35/563079535.db2.gz VNFRFJCFULQLDJ-HLXOCUMZSA-N 1 0 480.721 7.419 1 0 JKAFRO C[NH+]1CCN(CCCOc2ccc(C3O[C@@H](c4ccccc4)[C@H](c4ccccc4)O3)cc2)CC1 ZINC000028816166 563079538 /nfs/dbraw/zinc/07/95/38/563079538.db2.gz FRUGMRIQPAXCAQ-NSOVKSMOSA-N 1 0 458.602 5.231 1 0 JKAFRO CC[NH+](CC)CCC[C@H](C)Nc1nc2ncccc2c(NCc2ccc(Cl)cc2Cl)n1 ZINC000028817855 563079981 /nfs/dbraw/zinc/07/99/81/563079981.db2.gz UHUBTBJXDKGMOK-INIZCTEOSA-N 1 0 461.441 5.866 1 0 JKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(NCc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000028817845 563079992 /nfs/dbraw/zinc/07/99/92/563079992.db2.gz IYAPHDTVUXJQJI-QGZVFWFLSA-N 1 0 460.453 6.471 1 0 JKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc2ccccc2c(NCc2ccc(Cl)cc2Cl)n1 ZINC000028817849 563079998 /nfs/dbraw/zinc/07/99/98/563079998.db2.gz UJHLMZOBIOSUBF-QGZVFWFLSA-N 1 0 460.453 6.471 1 0 JKAFRO COc1ccc(N2Cc3cc(F)cc(C(F)(F)F)c3C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000028819823 563080494 /nfs/dbraw/zinc/08/04/94/563080494.db2.gz WGFMMFHWGQNJEB-UHFFFAOYSA-N 1 0 466.475 5.124 1 0 JKAFRO COc1ccc(N2Cc3cc(Cl)c(Cl)c(C)c3C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000028819809 563080518 /nfs/dbraw/zinc/08/05/18/563080518.db2.gz OETPBSVGYRUJIN-UHFFFAOYSA-N 1 0 463.405 5.582 1 0 JKAFRO FC(F)(F)c1ccc2c(c1)N(Cc1ccc(C[NH2+]Cc3ccccc3)cc1)c1ccccc1S2 ZINC000028821669 563080741 /nfs/dbraw/zinc/08/07/41/563080741.db2.gz CHXVLXDXACZEAJ-UHFFFAOYSA-N 1 0 476.567 7.798 1 0 JKAFRO CC[N@H+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(N[C@@H](C)c2ccccc2)n1 ZINC000028822144 563080971 /nfs/dbraw/zinc/08/09/71/563080971.db2.gz FYJHCKNLDPDGKC-FQEVSTJZSA-N 1 0 480.591 6.222 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH3+])CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823034 563081472 /nfs/dbraw/zinc/08/14/72/563081472.db2.gz LDVIHEQBMXNYLC-QGZVFWFLSA-N 1 0 487.541 5.646 1 0 JKAFRO COCCNc1nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc2n1CCC[NH+]1CCCCC1 ZINC000028823429 563081659 /nfs/dbraw/zinc/08/16/59/563081659.db2.gz ANEGFCALWBSPHV-UHFFFAOYSA-N 1 0 499.744 5.505 1 0 JKAFRO [NH3+]CCCCCN(Cc1ccccc1)C(=O)CCCc1c2ccccc2[nH]c1Cc1ccc(O)cc1 ZINC000028825933 563082240 /nfs/dbraw/zinc/08/22/40/563082240.db2.gz HLBUOSFAIUBECA-UHFFFAOYSA-N 1 0 483.656 5.945 1 0 JKAFRO [NH3+]CCCN(C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1)[C@H]1CCc2ccccc2C1 ZINC000028825866 563082249 /nfs/dbraw/zinc/08/22/49/563082249.db2.gz JBVJNUGJCAEAFO-VWLOTQADSA-N 1 0 453.586 5.095 1 0 JKAFRO [NH3+]CCCCCN(/C=C/Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000028825918 563082258 /nfs/dbraw/zinc/08/22/58/563082258.db2.gz ZKCYNFUBCHKAQP-ZVBGSRNCSA-N 1 0 453.630 6.358 1 0 JKAFRO [NH3+]CCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000028825964 563082266 /nfs/dbraw/zinc/08/22/66/563082266.db2.gz WHMJNEOYWVFOBT-CLCOLTQESA-N 1 0 452.042 6.118 1 0 JKAFRO [NH3+]C1CCC(CC2CCC(N(Cc3ccccn3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000028826008 563082350 /nfs/dbraw/zinc/08/23/50/563082350.db2.gz FAGDSQUHXREKBQ-UHFFFAOYSA-N 1 0 486.704 6.381 1 0 JKAFRO [NH3+]Cc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000028826254 563082446 /nfs/dbraw/zinc/08/24/46/563082446.db2.gz PNANAACSOMWZPA-UHFFFAOYSA-N 1 0 461.609 6.332 1 0 JKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000028827102 563082885 /nfs/dbraw/zinc/08/28/85/563082885.db2.gz ADRXLGLHNMXDTH-UHFFFAOYSA-N 1 0 453.565 5.782 1 0 JKAFRO Cc1cccc2c(C[NH+]3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)c[nH]c21 ZINC000028827103 563082903 /nfs/dbraw/zinc/08/29/03/563082903.db2.gz MFMPELJBKAXJQA-UHFFFAOYSA-N 1 0 467.592 6.090 1 0 JKAFRO CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(Oc4ncc(CN5CCCCC5)s4)ccc32)cc1 ZINC000028827092 563082927 /nfs/dbraw/zinc/08/29/27/563082927.db2.gz OIWLTELSYHQZCA-VWLOTQADSA-N 1 0 465.688 6.221 1 0 JKAFRO O=C(CN1CCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863306 563083440 /nfs/dbraw/zinc/08/34/40/563083440.db2.gz MVOHQJXRNOPLDL-MUJUVEFKSA-N 1 0 458.646 5.210 1 0 JKAFRO Cc1cnccc1CC[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC1=CC3=CC[C@@H]([NH+](C)C)C[C@]34CC[C@@]12O4 ZINC000028872552 563084264 /nfs/dbraw/zinc/08/42/64/563084264.db2.gz XWJPSPMNDHNLFX-HTGSUXDGSA-N 1 0 460.706 6.663 1 0 JKAFRO c1ccc(-c2c(-c3ccc(OCC[NH+]4CCCC4)cc3)oc3ncnc(NC[C@@H]4CCCO4)c32)cc1 ZINC000028879166 563084627 /nfs/dbraw/zinc/08/46/27/563084627.db2.gz YSWLNXFQMMFDFG-DEOSSOPVSA-N 1 0 484.600 5.622 1 0 JKAFRO CC(C)(C)Nc1ncnc2oc(-c3ccc(OCC[NH+]4CCCC4)cc3)c(-c3ccccc3)c21 ZINC000028879384 563084654 /nfs/dbraw/zinc/08/46/54/563084654.db2.gz GZBRMTRCRSMBNA-UHFFFAOYSA-N 1 0 456.590 6.242 1 0 JKAFRO OC[C@H]1CCC[N@H+](CCC[C@@H]2CCCc3ccc(OCc4noc(-c5ccccc5F)n4)cc32)C1 ZINC000028880980 563084747 /nfs/dbraw/zinc/08/47/47/563084747.db2.gz RSMAUOLRSZMOCD-SFTDATJTSA-N 1 0 479.596 5.359 1 0 JKAFRO COc1ccc2nccc([C@H]3CN([C@@H]4CCCC[N@H+](Cc5cc6ccccc6[nH]5)C4)C(=O)O3)c2c1 ZINC000028892444 563085270 /nfs/dbraw/zinc/08/52/70/563085270.db2.gz ICBYBDKMACZOTP-JIPXPUAJSA-N 1 0 470.573 5.273 1 0 JKAFRO COc1ccc2nccc([C@H]3CN(C4CC[NH+](Cc5ccc(-c6ccccc6)cc5)CC4)C(=O)O3)c2c1 ZINC000028893669 563085415 /nfs/dbraw/zinc/08/54/15/563085415.db2.gz YTHZHYKZFKMXRA-SSEXGKCCSA-N 1 0 493.607 6.068 1 0 JKAFRO O=C1NC(=Cc2ccc(C[NH2+]Cc3ccccc3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899232 563085990 /nfs/dbraw/zinc/08/59/90/563085990.db2.gz KJHXABIIBLNPFV-USHMODERSA-N 1 0 475.548 5.866 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000028903772 563086501 /nfs/dbraw/zinc/08/65/01/563086501.db2.gz PBOMPIPAGGZQEV-JOCHJYFZSA-N 1 0 470.020 6.241 1 0 JKAFRO CC[N@H+](CCc1ccccc1)Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1C ZINC000028903403 563086561 /nfs/dbraw/zinc/08/65/61/563086561.db2.gz YJVHONZZJXYMFG-UHFFFAOYSA-N 1 0 451.618 5.971 1 0 JKAFRO CCCC[NH+](CCCC)Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903708 563086579 /nfs/dbraw/zinc/08/65/79/563086579.db2.gz QVRMPSNMXGPZHS-UHFFFAOYSA-N 1 0 452.046 6.654 1 0 JKAFRO Clc1ccc([C@H](c2ccccc2)c2c(OCC[NH+]3CCCCC3)ccc3ccccc32)cc1 ZINC000028955522 563088289 /nfs/dbraw/zinc/08/82/89/563088289.db2.gz GCHOVNSDTAIRRF-LJAQVGFWSA-N 1 0 456.029 7.538 1 0 JKAFRO O=C(/C=C/c1cc(Cl)cc(Cl)c1)NCCCC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000028957560 563088417 /nfs/dbraw/zinc/08/84/17/563088417.db2.gz XSTYEOGYGAIOPO-FPYGCLRLSA-N 1 0 465.852 6.436 1 0 JKAFRO COc1ccc(C2CC[NH+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000028957615 563088487 /nfs/dbraw/zinc/08/84/87/563088487.db2.gz ZVXGHRBRODGHFL-WUXMJOGZSA-N 1 0 475.460 6.181 1 0 JKAFRO COc1ccc(C2CC[NH+](CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 ZINC000028957816 563088506 /nfs/dbraw/zinc/08/85/06/563088506.db2.gz YPEODQYLQKHNOB-YCRREMRBSA-N 1 0 487.471 6.133 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 ZINC000028957880 563088559 /nfs/dbraw/zinc/08/85/59/563088559.db2.gz WTRAKJGFQMWFED-DQZIJKFVSA-N 1 0 472.551 5.290 1 0 JKAFRO O=C(/C=C/c1cc(F)cc(F)c1)N[C@H]1CC[C@@H](C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)C1 ZINC000028957887 563088570 /nfs/dbraw/zinc/08/85/70/563088570.db2.gz JNBDHNIJUIUTOU-IOJWCWBCSA-N 1 0 460.515 5.421 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@@H]3CC[C@@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 ZINC000028957856 563088578 /nfs/dbraw/zinc/08/85/78/563088578.db2.gz URQRXSPEEJLVIK-POCPGYCASA-N 1 0 487.471 6.180 1 0 JKAFRO NC(=O)c1ccc2[nH]c(-c3ccc(OCC[C@H]4CCCC[N@@H+]4Cc4ccccc4)cc3)nc2c1 ZINC000028960823 563088924 /nfs/dbraw/zinc/08/89/24/563088924.db2.gz GEOIJLDTPBVLEQ-HSZRJFAPSA-N 1 0 454.574 5.152 1 0 JKAFRO NC(=O)c1ccc2[nH]c(-c3ccc(OCC[C@H]4CCCC[N@@H+]4Cc4ccc(Cl)cc4)cc3)nc2c1 ZINC000028960877 563088940 /nfs/dbraw/zinc/08/89/40/563088940.db2.gz OLGDSVAGYXUQFQ-HSZRJFAPSA-N 1 0 489.019 5.806 1 0 JKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2ccc(F)cc2F)n1 ZINC000028963623 563089187 /nfs/dbraw/zinc/08/91/87/563089187.db2.gz RYAUKJBPYVTWGW-UHFFFAOYSA-N 1 0 488.517 5.549 1 0 JKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2cc(F)ccc2F)n1 ZINC000028963632 563089199 /nfs/dbraw/zinc/08/91/99/563089199.db2.gz YWNRPWGWJNOQBS-UHFFFAOYSA-N 1 0 488.517 5.549 1 0 JKAFRO O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NCc3ccccc3)sc2c1 ZINC000028967596 563089472 /nfs/dbraw/zinc/08/94/72/563089472.db2.gz LJVISOICAADKIG-UHFFFAOYSA-N 1 0 466.610 5.581 1 0 JKAFRO O=C(C[NH2+]Cc1ccc2ccccc2c1)Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000028967577 563089480 /nfs/dbraw/zinc/08/94/80/563089480.db2.gz HNPHQKOMBVRBKS-UHFFFAOYSA-N 1 0 472.614 5.697 1 0 JKAFRO O=C(CCC[NH2+]Cc1ccc2ccccc2c1)Nc1ccc2nc(NC(=O)C3CCCC3)sc2c1 ZINC000028967718 563089525 /nfs/dbraw/zinc/08/95/25/563089525.db2.gz AIXAYBFQPOVWDS-UHFFFAOYSA-N 1 0 486.641 6.087 1 0 JKAFRO C[C@H](CCC[NH+]1CCCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978180 563090248 /nfs/dbraw/zinc/09/02/48/563090248.db2.gz CKUYNDITDOVHET-GOSISDBHSA-N 1 0 485.477 5.336 1 0 JKAFRO CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCC[N@@H+]2CCC[C@H](O)C2)c2ccccc21 ZINC000029037842 563090604 /nfs/dbraw/zinc/09/06/04/563090604.db2.gz LATWYLCTZRFXDK-VWLOTQADSA-N 1 0 489.704 6.289 1 0 JKAFRO Cc1ccc(C(=O)N[C@H]2CCc3ccc(CC[NH+]4CCN(c5nsc6ccccc65)CC4)cc32)cc1 ZINC000029038619 563090845 /nfs/dbraw/zinc/09/08/45/563090845.db2.gz ZAAQJDPTTZJUDL-MHZLTWQESA-N 1 0 496.680 5.387 1 0 JKAFRO O=C(Cc1csc2ccc(Cl)cc12)N1CC[C@H](c2ccccc2)C[C@@H]1C[NH+]1CCCC1 ZINC000029042916 563091952 /nfs/dbraw/zinc/09/19/52/563091952.db2.gz OZRGMSXVRJQDCT-NZQKXSOJSA-N 1 0 453.051 5.968 1 0 JKAFRO CC(=O)c1ccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)NC3=O)cc1 ZINC000029049016 563092793 /nfs/dbraw/zinc/09/27/93/563092793.db2.gz MLSUJMJHUFTTLX-VEILYXNESA-N 1 0 494.595 5.342 1 0 JKAFRO 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/nfs/dbraw/zinc/09/81/19/563098119.db2.gz SWFAHZAPBCRHPH-WJOKGBTCSA-N 1 0 478.039 7.126 1 0 JKAFRO COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(C[NH+]5CCCC5)cc4)cc3)o2)n1 ZINC000029136107 563098218 /nfs/dbraw/zinc/09/82/18/563098218.db2.gz LQDJFJOKQFNSQQ-UHFFFAOYSA-N 1 0 495.579 5.602 1 0 JKAFRO COc1cccc(C(=O)OCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)c1 ZINC000029204756 563098293 /nfs/dbraw/zinc/09/82/93/563098293.db2.gz ASQMFMQEQUQENN-IHLOFXLRSA-N 1 0 481.592 5.868 1 0 JKAFRO c1ccc(COCCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1 ZINC000029204926 563098322 /nfs/dbraw/zinc/09/83/22/563098322.db2.gz VWNFECAXKISCQZ-SAIUNTKASA-N 1 0 495.663 6.878 1 0 JKAFRO CC[N@@H+]1CCC[C@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3cc(Cl)ccc32)C1 ZINC000029205804 563098371 /nfs/dbraw/zinc/09/83/71/563098371.db2.gz WCHAKXVGHFWGGI-HNNXBMFYSA-N 1 0 450.801 6.230 1 0 JKAFRO c1ccc(COCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4cccnc4c3)cc2)cc1 ZINC000029208835 563098439 /nfs/dbraw/zinc/09/84/39/563098439.db2.gz 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C[C@H](C[N@@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000029404158 563102661 /nfs/dbraw/zinc/10/26/61/563102661.db2.gz LWGRMXNEIJHLPW-CJFMBICVSA-N 1 0 472.500 8.153 1 0 JKAFRO C[C@@H](C[N@@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000029404155 563102677 /nfs/dbraw/zinc/10/26/77/563102677.db2.gz LWGRMXNEIJHLPW-NBGIEHNGSA-N 1 0 472.500 8.153 1 0 JKAFRO COc1ccc([C@@]2(c3ccc(OCC[NH+](C)C)cc3)[C@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000029404734 563102829 /nfs/dbraw/zinc/10/28/29/563102829.db2.gz LWYSPLVNMSFSTO-LOSJGSFVSA-N 1 0 456.413 5.893 1 0 JKAFRO C[NH+](CCNc1nc2cc(Cl)c(Cl)cc2[nH]1)CCNc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000029406445 563102894 /nfs/dbraw/zinc/10/28/94/563102894.db2.gz RPXNBYNLXIIKFU-UHFFFAOYSA-N 1 0 487.222 5.509 1 0 JKAFRO C[C@H](C[N@@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000029411047 563103210 /nfs/dbraw/zinc/10/32/10/563103210.db2.gz IGXIJLLEYISYCT-ZQSLEGLSSA-N 1 0 474.516 8.004 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(N)=O)cc3c2CC[NH2+]CCCCc2cccnc2)c1 ZINC000029412373 563103345 /nfs/dbraw/zinc/10/33/45/563103345.db2.gz TUOFVUVNBINXHS-UHFFFAOYSA-N 1 0 482.672 5.765 1 0 JKAFRO COc1cc(C)c2c(n1)c(N[C@@H](C)CCC[NH3+])cc(OC)c2OCc1cccc(C(F)(F)F)c1 ZINC000029468098 563104384 /nfs/dbraw/zinc/10/43/84/563104384.db2.gz IFAWQHMVNWFHCO-INIZCTEOSA-N 1 0 477.527 5.698 1 0 JKAFRO CCCC[NH+](CCCC)CCCCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1 ZINC000029473736 563104727 /nfs/dbraw/zinc/10/47/27/563104727.db2.gz JYOYCUQHJILEQT-UHFFFAOYSA-N 1 0 450.692 7.928 1 0 JKAFRO CC(=O)Nc1ccc(/C=C/C(=O)NCCCCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000029482535 563105430 /nfs/dbraw/zinc/10/54/30/563105430.db2.gz YAUCOUNOTPNEJH-SDNWHVSQSA-N 1 0 472.633 5.306 1 0 JKAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1Cc2cc3ccccc3cc2C[C@H]1[NH+]1CCCC1 ZINC000029548284 563106061 /nfs/dbraw/zinc/10/60/61/563106061.db2.gz QZPVBDWKSMUGSH-CLJLJLNGSA-N 1 0 467.440 5.779 1 0 JKAFRO 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ZINC000029566684 563107397 /nfs/dbraw/zinc/10/73/97/563107397.db2.gz RONIMSYKESHVMU-UHFFFAOYSA-N 1 0 488.607 5.578 1 0 JKAFRO CCCC1CC[NH+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029569624 563107613 /nfs/dbraw/zinc/10/76/13/563107613.db2.gz YRYHAIASPFZMBI-QHCPKHFHSA-N 1 0 461.477 6.751 1 0 JKAFRO Fc1ccc(Cn2c3ccc(Cl)cc3nc2NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029569404 563107633 /nfs/dbraw/zinc/10/76/33/563107633.db2.gz KFGLWLRQKHVRLP-UHFFFAOYSA-N 1 0 463.000 5.996 1 0 JKAFRO Clc1cccc(N2CC[NH+](CCCN3CCc4c5ccccc5[nH]c4[C@@H]3c3cccnc3)CC2)c1 ZINC000031829933 563108537 /nfs/dbraw/zinc/10/85/37/563108537.db2.gz SWRGZBWFGHMEOU-LJAQVGFWSA-N 1 0 486.063 5.376 1 0 JKAFRO CC(=O)O[C@@H]1[C@H](n2ccnc2)C[C@H]2[C@@H]3CC=C4C[C@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000031872205 563108812 /nfs/dbraw/zinc/10/88/12/563108812.db2.gz KZPNCXIHDYJAKC-DNDKEACUSA-N 1 0 451.655 5.393 1 0 JKAFRO CC(=O)O[C@@H]1[C@H](C2CCCCC2)C[N+](=O)O[C@@H]1O[C@@H]1CCCC1(c1ccccc1)c1ccccc1 ZINC000031900135 563109003 /nfs/dbraw/zinc/10/90/03/563109003.db2.gz NCRVIABJZOZIQS-HFLBTKGNSA-N 1 0 477.601 5.522 1 0 JKAFRO COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H]([NH3+])C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000032050932 563109422 /nfs/dbraw/zinc/10/94/22/563109422.db2.gz WRGKFEHDQACPOH-DKQHQUBKSA-N 1 0 469.754 7.288 1 0 JKAFRO COc1ccc(C2=C(c3ccccc3)C(C)(C)Oc3cc(OCC[NH+]4CCCC4)ccc32)cc1 ZINC000033827356 563110981 /nfs/dbraw/zinc/11/09/81/563110981.db2.gz ATIQHGPPONAFDA-UHFFFAOYSA-N 1 0 455.598 6.300 1 0 JKAFRO c1ccc(COc2ccc(CN3CCC[N@H+](Cc4ccc(OCc5ccccc5)cc4)CC3)cc2)cc1 ZINC000034081754 563112100 /nfs/dbraw/zinc/11/21/00/563112100.db2.gz FPRDRUFPXKOCGG-UHFFFAOYSA-N 1 0 492.663 6.553 1 0 JKAFRO C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c([C@@H](C[NH+](C)C)c3ccccc3)nnc21 ZINC000034187047 563112441 /nfs/dbraw/zinc/11/24/41/563112441.db2.gz SWOIADWBLRUHCX-MBSDFSHPSA-N 1 0 455.993 5.526 1 0 JKAFRO COc1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 ZINC000034272301 563112884 /nfs/dbraw/zinc/11/28/84/563112884.db2.gz CJOMMFVMZGNTNI-LJAQVGFWSA-N 1 0 484.596 5.169 1 0 JKAFRO C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](NC(N)=O)C[NH2+]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034272363 563112947 /nfs/dbraw/zinc/11/29/47/563112947.db2.gz YQWFRRKEAFMCAV-XWRIVVANSA-N 1 0 489.460 5.118 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000034289875 563112981 /nfs/dbraw/zinc/11/29/81/563112981.db2.gz WGWRMJSTSKBWJG-UHFFFAOYSA-N 1 0 473.613 5.315 1 0 JKAFRO CC(C)n1cnc2c1nc(N[C@@H]1CCC[C@@H]([NH3+])C1)nc2NCc1ccc(-c2ccccc2)cc1 ZINC000034356264 563113188 /nfs/dbraw/zinc/11/31/88/563113188.db2.gz SOMXUWPRORRTQU-DHIUTWEWSA-N 1 0 455.610 5.368 1 0 JKAFRO COc1ccc(-c2c(C)c3cc(OC)ccc3n2Cc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000034358534 563113300 /nfs/dbraw/zinc/11/33/00/563113300.db2.gz QEFAONBWYHMKGM-UHFFFAOYSA-N 1 0 484.640 6.547 1 0 JKAFRO O=C(Nc1cccc(F)c1)Nc1cc(C(=O)NCC[NH+]2CCCC2)ccc1Oc1ccc(F)c(F)c1 ZINC000034638053 563114324 /nfs/dbraw/zinc/11/43/24/563114324.db2.gz OBHFOTLCPRPWNS-UHFFFAOYSA-N 1 0 498.505 5.366 1 0 JKAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)N(C)Cc2ccccc2)ccc1OC(C)C ZINC000034787738 563115058 /nfs/dbraw/zinc/11/50/58/563115058.db2.gz LQQXFGZYYQHUNT-MUUNZHRXSA-N 1 0 498.627 5.815 1 0 JKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCC[NH+]1CCCCC1)c1ccsc1 ZINC000034804147 563116399 /nfs/dbraw/zinc/11/63/99/563116399.db2.gz NLWNSKCTNYPJQF-IBGZPJMESA-N 1 0 493.517 5.219 1 0 JKAFRO CCOc1ccc(Cc2nc3cc(NC(=N)c4ccco4)ccc3n2CC[NH+](CC)CC)cc1 ZINC000034875294 563117267 /nfs/dbraw/zinc/11/72/67/563117267.db2.gz FXXWLOMRPPITQS-UHFFFAOYSA-N 1 0 459.594 5.398 1 0 JKAFRO O=c1c2ccc(NC3CC[NH+](Cc4ccccc4)CC3)cc2n2ccnc2n1-c1cccc(Cl)c1 ZINC000034948421 563117642 /nfs/dbraw/zinc/11/76/42/563117642.db2.gz CPGCLEINYJDPDU-UHFFFAOYSA-N 1 0 484.003 5.368 1 0 JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1cccnc1 ZINC000035048719 563118376 /nfs/dbraw/zinc/11/83/76/563118376.db2.gz JZNSREPZKLXMHV-LHWBMOMUSA-N 1 0 466.625 6.213 1 0 JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccncc1 ZINC000035048722 563118408 /nfs/dbraw/zinc/11/84/08/563118408.db2.gz YZXAHVUCEAFJNT-LHWBMOMUSA-N 1 0 466.625 6.213 1 0 JKAFRO C[C@H]1[C@H]2Cc3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc3[C@]1(C)CC[N@@H+]2CC1CC1 ZINC000035034162 563118410 /nfs/dbraw/zinc/11/84/10/563118410.db2.gz GZDNGLGWJBOMSN-XAEFOYQYSA-N 1 0 478.680 6.260 1 0 JKAFRO COC(=O)c1cccc([C@]2(C)C[C@@H]3CN(Cc4ccccc4)[C@@H](c4ccccc4)C[N@@H+]3C[C@@H]2C)c1 ZINC000035075236 563118779 /nfs/dbraw/zinc/11/87/79/563118779.db2.gz WAWBXLWGGYKPAP-LVFBFGQISA-N 1 0 468.641 5.698 1 0 JKAFRO C[C@H]1C[N@@H+]2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(C(N)=O)c1 ZINC000035075237 563118816 /nfs/dbraw/zinc/11/88/16/563118816.db2.gz DRPSVNHQYIQOPX-XDFFSJMGSA-N 1 0 453.630 5.011 1 0 JKAFRO Cc1cccc(NC(=O)Nc2ccc(-c3ccc(OCC[NH+]4CCCC4)c4[nH]nc(N)c43)cc2)c1 ZINC000035323777 563120083 /nfs/dbraw/zinc/12/00/83/563120083.db2.gz CQQHPXAPMGAALV-UHFFFAOYSA-N 1 0 470.577 5.239 1 0 JKAFRO C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)S(=O)(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]23C[N@@H+]1C ZINC000035802365 563120348 /nfs/dbraw/zinc/12/03/48/563120348.db2.gz FZLIDMOQKQJOOQ-QXOXAHKFSA-N 1 0 482.734 5.569 1 0 JKAFRO Clc1cccc(N2CC[NH+](CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1Cl ZINC000035833376 563120530 /nfs/dbraw/zinc/12/05/30/563120530.db2.gz SDZGFAGZLJLJSV-UHFFFAOYSA-N 1 0 455.433 6.070 1 0 JKAFRO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000035873261 563120953 /nfs/dbraw/zinc/12/09/53/563120953.db2.gz RWSPYBHNSGQITH-XIFFEERXSA-N 1 0 489.663 6.375 1 0 JKAFRO FC(F)(F)c1cc(COC[C@@]2(c3ccccc3)CC[C@@H]([NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000035935609 563121379 /nfs/dbraw/zinc/12/13/79/563121379.db2.gz HSPRYBQFUPQTHV-DHIUTWEWSA-N 1 0 471.485 6.827 1 0 JKAFRO CC[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 ZINC000036089501 563122107 /nfs/dbraw/zinc/12/21/07/563122107.db2.gz WXQFNASFTKDHTC-UHFFFAOYSA-N 1 0 494.426 5.506 1 0 JKAFRO Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Oc3cc(F)cc(F)c3)n2)cc1 ZINC000036127104 563122620 /nfs/dbraw/zinc/12/26/20/563122620.db2.gz IXQGHOZDNBWZOU-UHFFFAOYSA-N 1 0 451.452 5.141 1 0 JKAFRO Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Oc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000036127063 563122640 /nfs/dbraw/zinc/12/26/40/563122640.db2.gz RGBPHRPXZHAAJH-UHFFFAOYSA-N 1 0 483.469 5.882 1 0 JKAFRO CC[NH2+]Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc([C@@H](C)c2ccccc2)n1 ZINC000036161141 563123058 /nfs/dbraw/zinc/12/30/58/563123058.db2.gz XUAOWPIQLNDRAO-IBGZPJMESA-N 1 0 451.549 5.859 1 0 JKAFRO C[C@@H](c1ccccc1)c1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@H+](C)CCO)ccn32)n1 ZINC000036161131 563123065 /nfs/dbraw/zinc/12/30/65/563123065.db2.gz JKNXXLGFUXVVPB-FQEVSTJZSA-N 1 0 481.575 5.173 1 0 JKAFRO CC[N@H+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc([C@@H](C)c2ccccc2)n1 ZINC000036161136 563123068 /nfs/dbraw/zinc/12/30/68/563123068.db2.gz MEOSPERBNLGZCU-FQEVSTJZSA-N 1 0 465.576 6.201 1 0 JKAFRO C[C@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175820 563123157 /nfs/dbraw/zinc/12/31/57/563123157.db2.gz XSWAREIQLKWHDM-JOCHJYFZSA-N 1 0 499.076 6.161 1 0 JKAFRO c1ccc(Oc2ccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3c2)cc1 ZINC000036176898 563123321 /nfs/dbraw/zinc/12/33/21/563123321.db2.gz VFUZEFVLUHADNS-UHFFFAOYSA-N 1 0 492.627 6.353 1 0 JKAFRO CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000036184656 563123683 /nfs/dbraw/zinc/12/36/83/563123683.db2.gz WOAHQSQWLSCAPA-LJAQVGFWSA-N 1 0 490.598 5.960 1 0 JKAFRO CC[NH+](CC)CCOc1ccc(Nc2cc(N(C)C(=O)Nc3c(C)cccc3Cl)ncn2)cc1 ZINC000036187638 563123928 /nfs/dbraw/zinc/12/39/28/563123928.db2.gz ZNMGAIBQNDSWFY-UHFFFAOYSA-N 1 0 483.016 5.571 1 0 JKAFRO O=C1c2cc(CCc3ccc(F)cc3)cn2CCN1CCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000036270599 563125170 /nfs/dbraw/zinc/12/51/70/563125170.db2.gz KGHVDSQXDOYOLW-UHFFFAOYSA-N 1 0 459.609 5.097 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000036285740 563125236 /nfs/dbraw/zinc/12/52/36/563125236.db2.gz NFJPILFYQJBQHZ-VWLOTQADSA-N 1 0 499.577 5.632 1 0 JKAFRO Cc1cccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000036285457 563125252 /nfs/dbraw/zinc/12/52/52/563125252.db2.gz TXPALBTXULCUGS-QHCPKHFHSA-N 1 0 461.572 5.341 1 0 JKAFRO Cc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)c(C)c1 ZINC000036285665 563125293 /nfs/dbraw/zinc/12/52/93/563125293.db2.gz RRPIWCKFHNESDZ-QFIPXVFZSA-N 1 0 477.571 5.096 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccccc2Cl)CC1 ZINC000036285660 563125297 /nfs/dbraw/zinc/12/52/97/563125297.db2.gz QKZLTHPAAPYYQY-FQEVSTJZSA-N 1 0 483.962 5.132 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285523 563125310 /nfs/dbraw/zinc/12/53/10/563125310.db2.gz MZPJBMMPFNXENJ-QFIPXVFZSA-N 1 0 466.428 5.460 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccccc2F)CC1 ZINC000036285389 563125313 /nfs/dbraw/zinc/12/53/13/563125313.db2.gz AKQUFOFELDSFGJ-QFIPXVFZSA-N 1 0 465.535 5.172 1 0 JKAFRO COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000036285882 563125392 /nfs/dbraw/zinc/12/53/92/563125392.db2.gz XQRMVGKJRPGNEB-JPYJTQIMSA-N 1 0 492.491 5.575 1 0 JKAFRO Cc1ccc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)c(C)c1 ZINC000036285868 563125396 /nfs/dbraw/zinc/12/53/96/563125396.db2.gz WQWYZEABOSKYSV-OFVILXPXSA-N 1 0 489.626 5.896 1 0 JKAFRO CC[C@H](C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 ZINC000036285801 563125427 /nfs/dbraw/zinc/12/54/27/563125427.db2.gz SYYIQIAIEQVVKQ-XDHUDOTRSA-N 1 0 481.990 5.686 1 0 JKAFRO CC[NH+](CC)CCOn1nc(N)c2c1cccc2-c1ccc(NC(=O)Nc2cc(C)ccc2F)cc1 ZINC000036338934 563126447 /nfs/dbraw/zinc/12/64/47/563126447.db2.gz OWCONRLOJMQZQS-UHFFFAOYSA-N 1 0 490.583 5.147 1 0 JKAFRO Cn1cc(-c2ccc(N3CC[C@@H]([NH+](C)C)C3)nc2)c(=O)c2ccc(-c3ccc(Cl)cc3)cc21 ZINC000036351540 563126950 /nfs/dbraw/zinc/12/69/50/563126950.db2.gz HJIIGHOMSAWNSK-JOCHJYFZSA-N 1 0 458.993 5.061 1 0 JKAFRO C[NH+](C)[C@@H]1CCN(c2ccc(-c3coc4cc(Oc5ccc(Cl)cc5)ccc4c3=O)cn2)C1 ZINC000036351551 563126960 /nfs/dbraw/zinc/12/69/60/563126960.db2.gz LNUNJEQAQIMUJF-LJQANCHMSA-N 1 0 461.949 5.441 1 0 JKAFRO C[NH+](C)[C@H]1CCN(c2ccc(-c3coc4cc(-c5cnccc5C(F)(F)F)ccc4c3=O)cn2)C1 ZINC000036351546 563126969 /nfs/dbraw/zinc/12/69/69/563126969.db2.gz RYGNGVJAAJRDMC-SFHVURJKSA-N 1 0 480.490 5.076 1 0 JKAFRO Cc1cc(Cl)ccc1-c1ccc2c(c1)occ(-c1ccc(N3CC[C@H]([NH+](C)C)C3)nc1)c2=O ZINC000036351572 563126990 /nfs/dbraw/zinc/12/69/90/563126990.db2.gz LJMOIBPUAGWTOI-NRFANRHFSA-N 1 0 459.977 5.624 1 0 JKAFRO Cc1ccc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1C ZINC000036351791 563127054 /nfs/dbraw/zinc/12/70/54/563127054.db2.gz OEBDOFXKWLNXSK-RRPNLBNLSA-N 1 0 497.639 5.664 1 0 JKAFRO COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccco2)=[NH+][C@H]1c1ccc(Br)cc1 ZINC000036379153 563127459 /nfs/dbraw/zinc/12/74/59/563127459.db2.gz TVVIMNIYHNPWFE-QHCPKHFHSA-N 1 0 494.389 5.192 1 0 JKAFRO C[n+]1c(/C=C/c2ccnc3ccccc23)cc(/C=C/c2ccnc3ccccc23)c2ccccc21 ZINC000036382714 563128129 /nfs/dbraw/zinc/12/81/29/563128129.db2.gz YBIFFRCAWSOWJE-JLXBFWJWSA-N 1 0 450.565 7.102 1 0 JKAFRO O=C1[C@H](Cc2ccccc2)[NH2+]C/C=C\C[C@H](c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1 ZINC000036383158 563128324 /nfs/dbraw/zinc/12/83/24/563128324.db2.gz IPADJBMHRDXFSY-NYBFDSEZSA-N 1 0 465.424 6.224 1 0 JKAFRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cccc2ccccc21 ZINC000036476084 563130388 /nfs/dbraw/zinc/13/03/88/563130388.db2.gz ZFLDWLZORARQEQ-NAKSJZFLSA-N 1 0 477.457 6.087 1 0 JKAFRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc21 ZINC000036476083 563130448 /nfs/dbraw/zinc/13/04/48/563130448.db2.gz WWABBSQIRKPECQ-UOKFIYJESA-N 1 0 492.563 5.679 1 0 JKAFRO Cn1c(C[NH+]2CCCC2)cc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc21 ZINC000038149681 563132049 /nfs/dbraw/zinc/13/20/49/563132049.db2.gz MIYQNLFTRRTMNL-UHFFFAOYSA-N 1 0 475.017 5.855 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(C[NH+]3CCCC3)ccc2c1 ZINC000038149735 563132208 /nfs/dbraw/zinc/13/22/08/563132208.db2.gz QOKPEQZKMJABFG-UHFFFAOYSA-N 1 0 473.001 5.912 1 0 JKAFRO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CN(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000038217839 563133408 /nfs/dbraw/zinc/13/34/08/563133408.db2.gz DKVOGZPCCPBBPU-MGBGTMOVSA-N 1 0 489.663 6.375 1 0 JKAFRO Cc1cc(O)ccc1-c1c(Cl)c2cc(O)ccc2n1Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000038383275 563134119 /nfs/dbraw/zinc/13/41/19/563134119.db2.gz QFGIIRQJHPVWMH-UHFFFAOYSA-N 1 0 491.031 6.594 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)c1-c1ccc(O)cc1 ZINC000038381698 563134182 /nfs/dbraw/zinc/13/41/82/563134182.db2.gz HVJUNBINGYMAHO-OAQYLSRUSA-N 1 0 470.613 6.187 1 0 JKAFRO [NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)c1)Cc1c[nH]c2ccccc12 ZINC000038389926 563134266 /nfs/dbraw/zinc/13/42/66/563134266.db2.gz YFSJPNKAWKKQSL-QHCPKHFHSA-N 1 0 459.553 5.722 1 0 JKAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(-c3ccsc3)c2)CCCCC1 ZINC000038662046 563135325 /nfs/dbraw/zinc/13/53/25/563135325.db2.gz MMERFYVNJACFER-RRPNLBNLSA-N 1 0 498.639 5.551 1 0 JKAFRO COc1ccc2c3c1O[C@@H]1C(=O)[C@](C)(CCCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000040368773 563137134 /nfs/dbraw/zinc/13/71/34/563137134.db2.gz VVFHKDWGBNJOKO-OSRSFBGKSA-N 1 0 499.695 6.133 1 0 JKAFRO CC(=O)O[C@H](Cc1ccccc1)CN1CC[NH+](CCCCn2c3ccccc3c3ccccc32)CC1 ZINC000040379486 563137231 /nfs/dbraw/zinc/13/72/31/563137231.db2.gz RSMGUCGGAWMGDC-HHHXNRCGSA-N 1 0 483.656 5.367 1 0 JKAFRO c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)[s+]c(-c3ccc(N4CCOCC4)cc3)c2)cc1 ZINC000040379665 563137283 /nfs/dbraw/zinc/13/72/83/563137283.db2.gz WVFPBHJXAMBHIE-UHFFFAOYSA-N 1 0 495.668 6.703 1 0 JKAFRO COc1cccc(CCc2ccccc2OCCC[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000040379675 563137287 /nfs/dbraw/zinc/13/72/87/563137287.db2.gz YALDYYSVNQBATO-UHFFFAOYSA-N 1 0 460.618 5.080 1 0 in-vitro JKAFRO COc1ccc2c3c1O[C@H]1c4c(c5cccc6c5n4CCC6(C)C)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000040379876 563137426 /nfs/dbraw/zinc/13/74/26/563137426.db2.gz XNSAEASELAYOGW-AUMOWIEMSA-N 1 0 496.651 5.030 1 0 JKAFRO CC[NH+](CC)Cc1cc(Nc2ccnc3cc(Cl)ccc32)cc(-c2ccc(Cl)cc2)c1 ZINC000040380706 563137677 /nfs/dbraw/zinc/13/76/77/563137677.db2.gz GKGQDCJHDFORFK-UHFFFAOYSA-N 1 0 450.413 7.794 1 0 JKAFRO Cn1c(=O)c2cccc(C(F)(F)F)c2nc1-c1ccc(OC2CC[NH+](C3CCC3)CC2)cc1 ZINC000040390884 563137748 /nfs/dbraw/zinc/13/77/48/563137748.db2.gz RDPSEAZFXPEZMP-UHFFFAOYSA-N 1 0 457.496 5.015 1 0 JKAFRO c1ccc(CCCCCN2CC[NH+](CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040392741 563138055 /nfs/dbraw/zinc/13/80/55/563138055.db2.gz FQLCKZJUBGBCOP-UHFFFAOYSA-N 1 0 453.674 6.605 1 0 JKAFRO CC(C)c1c(N)[nH+]ccc1Oc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)cc1F ZINC000040393195 563138316 /nfs/dbraw/zinc/13/83/16/563138316.db2.gz QMOGEPGUFJEMKX-UHFFFAOYSA-N 1 0 476.483 5.261 1 0 JKAFRO C[C@@H](C[C@H](NC(=O)C1CCC1)c1ccccc1)[NH+]1CCC(c2n[nH]cc2-c2ccncc2)CC1 ZINC000040394106 563138611 /nfs/dbraw/zinc/13/86/11/563138611.db2.gz XFUXIQVTGGYUOZ-FNZWTVRRSA-N 1 0 457.622 5.087 1 0 JKAFRO CCN(C(=O)Cc1ccc(C)cc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040394069 563138619 /nfs/dbraw/zinc/13/86/19/563138619.db2.gz DJELOVCIKWYXEF-GIGWZHCTSA-N 1 0 489.704 5.287 1 0 JKAFRO Cc1ccc(N(C(=O)NCCC[NH+]2CCC3(CCc4ccccc43)CC2)c2ccc(F)cc2)cc1 ZINC000040395237 563139127 /nfs/dbraw/zinc/13/91/27/563139127.db2.gz SPPVYRMMRKTURF-UHFFFAOYSA-N 1 0 471.620 6.352 1 0 JKAFRO Cc1ccc([C@@H]2C[N@@H+](C)[C@]3(c4ccccc4NC3=O)[C@]23CCc2c4ccccc4[nH]c2C3=O)cc1 ZINC000040403759 563139785 /nfs/dbraw/zinc/13/97/85/563139785.db2.gz XFJQXMVRHAVKMW-GSEMILKTSA-N 1 0 461.565 5.168 1 0 JKAFRO C[N@@H+](CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)CCC1c2ccccc2-c2ccccc21 ZINC000040409124 563140430 /nfs/dbraw/zinc/14/04/30/563140430.db2.gz XKFUOGJIUFZZIJ-UHFFFAOYSA-N 1 0 474.048 5.513 1 0 JKAFRO CC1([NH+]2CCC(n3c4ccccc4nc3-c3ccc(F)c(Cl)c3)CC2)CCCCCCC1 ZINC000040409638 563140524 /nfs/dbraw/zinc/14/05/24/563140524.db2.gz MIFPMFZKWFDLIO-UHFFFAOYSA-N 1 0 454.033 7.636 1 0 JKAFRO COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1NCC[NH+]1CCCCC1 ZINC000040409610 563140543 /nfs/dbraw/zinc/14/05/43/563140543.db2.gz YHGSJALOKNKHQN-UHFFFAOYSA-N 1 0 488.419 5.291 1 0 JKAFRO C[NH2+]Cc1ccc(NC(=O)c2cc(C)n(Cc3cc(Cl)ccc3OCc3ccccc3)n2)cc1 ZINC000040410580 563140657 /nfs/dbraw/zinc/14/06/57/563140657.db2.gz ZJOSQPMXIGOIML-UHFFFAOYSA-N 1 0 474.992 5.444 1 0 JKAFRO COC(=O)c1ccc(F)c2c1C[C@@H]([N@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040411452 563140768 /nfs/dbraw/zinc/14/07/68/563140768.db2.gz JFVMDYGLVSOAPL-LJQANCHMSA-N 1 0 454.517 5.024 1 0 in-vitro JKAFRO C[N@H+](CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(Br)cc1 ZINC000040412703 563140963 /nfs/dbraw/zinc/14/09/63/563140963.db2.gz OJVYYKJJKYYQEA-UHFFFAOYSA-N 1 0 451.383 6.597 1 0 JKAFRO COc1cccc(CCc2ccccc2OCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000040420862 563141437 /nfs/dbraw/zinc/14/14/37/563141437.db2.gz GXAYQOXIRCFABO-UHFFFAOYSA-N 1 0 475.629 5.715 1 0 JKAFRO C[N@H+](CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(Br)cc1 ZINC000040423991 563142653 /nfs/dbraw/zinc/14/26/53/563142653.db2.gz ZOMXVZCYPISGCW-UHFFFAOYSA-N 1 0 465.410 6.987 1 0 JKAFRO CCC[C@H](C)C[NH+]1CCC(c2ccn3c(c2)nc(-c2ccc(F)cc2)c3-c2ccnc(N)n2)CC1 ZINC000040424190 563142727 /nfs/dbraw/zinc/14/27/27/563142727.db2.gz ZDHQEFNXUHINSC-IBGZPJMESA-N 1 0 472.612 5.795 1 0 JKAFRO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1-c1ccc2ccncc2c1 ZINC000040428835 563143269 /nfs/dbraw/zinc/14/32/69/563143269.db2.gz IYCITBYBDPSBBJ-UHFFFAOYSA-N 1 0 450.586 5.210 1 0 JKAFRO C[C@H]1C[C@H](C)C[NH+](CCCOc2ccc(-n3c4ccc(F)cc4nc3-c3ccccn3)cc2)C1 ZINC000040429534 563143356 /nfs/dbraw/zinc/14/33/56/563143356.db2.gz INZNENROAMTTFF-SFTDATJTSA-N 1 0 458.581 5.973 1 0 JKAFRO CSc1ccc2c(c1)C(c1ccccc1)=NCc1nnc([C@H](C[NH+](C)C)c3ccccc3)n1-2 ZINC000040466997 563144396 /nfs/dbraw/zinc/14/43/96/563144396.db2.gz LHOMPYJVKAIVME-HSZRJFAPSA-N 1 0 453.615 5.034 1 0 JKAFRO C[NH+](C)C[C@@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1cccc(Cl)c1 ZINC000040503850 563144695 /nfs/dbraw/zinc/14/46/95/563144695.db2.gz RMIWGNJAEJQEFB-JOCHJYFZSA-N 1 0 476.411 5.619 1 0 JKAFRO C[NH+](C)C[C@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1cccc(Cl)c1 ZINC000040503847 563144722 /nfs/dbraw/zinc/14/47/22/563144722.db2.gz RMIWGNJAEJQEFB-QFIPXVFZSA-N 1 0 476.411 5.619 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@@](O)(c2ccccc2)C2CCCCC2)CC1 ZINC000040503854 563144736 /nfs/dbraw/zinc/14/47/36/563144736.db2.gz QQTPFWHWKHMTSV-SSEXGKCCSA-N 1 0 479.661 5.847 1 0 JKAFRO COc1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040505761 563145003 /nfs/dbraw/zinc/14/50/03/563145003.db2.gz WGGVFRHTPFPFLE-UHFFFAOYSA-N 1 0 467.556 5.390 1 0 JKAFRO COc1cccc(OC)c1OCCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040505736 563145030 /nfs/dbraw/zinc/14/50/30/563145030.db2.gz NXYHAQNTOADLOT-UHFFFAOYSA-N 1 0 497.582 5.399 1 0 JKAFRO Fc1ccc(-c2ccc(-c3nc4c(ncnc4N4C[C@H]5CC[N@H+](Cc6ccccc6)[C@H]5C4)o3)cc2)cc1 ZINC000040527494 563145115 /nfs/dbraw/zinc/14/51/15/563145115.db2.gz ZYNFMWLBVNRZPB-RSXGOPAZSA-N 1 0 491.570 5.802 1 0 JKAFRO CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[NH2+][C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040525605 563145128 /nfs/dbraw/zinc/14/51/28/563145128.db2.gz KTVWVGWMTMHWJY-RRWYGWBUSA-N 1 0 455.771 7.389 1 0 JKAFRO O=C1NC[C@@H](c2ccc(F)cc2)C12CC[NH+](C1(c3cccc(OC(F)(F)F)c3)CCCCC1)CC2 ZINC000040567904 563146084 /nfs/dbraw/zinc/14/60/84/563146084.db2.gz RQXAELXRNCKUCJ-QHCPKHFHSA-N 1 0 490.541 5.880 1 0 JKAFRO COc1ccc(N2CC[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040567503 563146123 /nfs/dbraw/zinc/14/61/23/563146123.db2.gz OYIQCZLWRTXCFS-RUZDIDTESA-N 1 0 477.432 5.561 1 0 JKAFRO COc1ccc(N2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCC(C)(C)CC1 ZINC000040763319 563147983 /nfs/dbraw/zinc/14/79/83/563147983.db2.gz WREWYZJKMRIQMH-FQEVSTJZSA-N 1 0 491.459 6.023 1 0 JKAFRO COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)ccc3c2=O)ccc1OCC[NH+]1CCCC1 ZINC000040764325 563148281 /nfs/dbraw/zinc/14/82/81/563148281.db2.gz QVFFMGLKNMKANX-UHFFFAOYSA-N 1 0 475.976 5.189 1 0 JKAFRO CCN(CC)CC(=O)O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040776044 563148530 /nfs/dbraw/zinc/14/85/30/563148530.db2.gz GHQSUNITIQBZNO-ABQAWVCCSA-N 1 0 474.689 5.846 1 0 JKAFRO COc1cc2c(cc1OCc1ccccc1)[C@H](Cc1ccc(OCc3ccccc3)cc1)[NH2+]CC2 ZINC000040835221 563148949 /nfs/dbraw/zinc/14/89/49/563148949.db2.gz XJDFIDRLFSFTJH-LJAQVGFWSA-N 1 0 465.593 6.283 1 0 JKAFRO COc1ccccc1SC[C@H](C[NH2+][C@@H]1COc2ccccc2SC1)OC(=O)c1ccccc1 ZINC000040835208 563148956 /nfs/dbraw/zinc/14/89/56/563148956.db2.gz FTKQUYJTJLSNKZ-RTWAWAEBSA-N 1 0 481.639 5.156 1 0 JKAFRO O=C(Nc1cccc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1)C1CC[NH2+]CC1 ZINC000040846432 563149269 /nfs/dbraw/zinc/14/92/69/563149269.db2.gz QELBGEXDPPNPIG-UHFFFAOYSA-N 1 0 454.492 5.890 1 0 JKAFRO C(=C/c1ccccc1)\CN1CC[NH+](CCCCCCCCn2c3ccccc3c3ccccc32)CC1 ZINC000040847045 563149328 /nfs/dbraw/zinc/14/93/28/563149328.db2.gz FHLKTNRAXSIBSB-SAPNQHFASA-N 1 0 479.712 7.466 1 0 JKAFRO CCN(C(=O)c1ccc(F)cc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040863474 563150630 /nfs/dbraw/zinc/15/06/30/563150630.db2.gz ROMDHEDAKJAJKM-IDISGSTGSA-N 1 0 479.640 5.188 1 0 JKAFRO CCN(C(=O)c1ccc(OC)cc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040864064 563150681 /nfs/dbraw/zinc/15/06/81/563150681.db2.gz QSYUMABLKKWHMQ-DFHRPNOPSA-N 1 0 491.676 5.058 1 0 JKAFRO CCN(C(=O)Cc1ccc(F)cc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040867218 563151318 /nfs/dbraw/zinc/15/13/18/563151318.db2.gz BGCIDNAGNOLNPE-DWACAAAGSA-N 1 0 493.667 5.117 1 0 JKAFRO Cc1ccc(N(C(=O)NCCC[NH+]2CCC3(CCc4ccccc43)CC2)c2ccc(C)cc2)cc1 ZINC000040874520 563151980 /nfs/dbraw/zinc/15/19/80/563151980.db2.gz KWMMLXRVWDEIDY-UHFFFAOYSA-N 1 0 467.657 6.521 1 0 JKAFRO CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c(N2CC[NH2+]CC2)n1 ZINC000040874926 563152145 /nfs/dbraw/zinc/15/21/45/563152145.db2.gz GDWQUUCPLCSPGR-UHFFFAOYSA-N 1 0 492.454 6.373 1 0 JKAFRO O[C@]12CCCCCC[C@@H]3CC[N@H+]4CCC[C@@H](CCCCCC[C@@H]5CCN(CCC1)[C@H]2O5)[C@@H]4O3 ZINC000040877935 563152551 /nfs/dbraw/zinc/15/25/51/563152551.db2.gz DAHFKODECRYGAQ-HKVPEBPQSA-N 1 0 462.719 5.450 1 0 JKAFRO Cc1c(C[N@@H+](C(C)C)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040878199 563152673 /nfs/dbraw/zinc/15/26/73/563152673.db2.gz OEBWHDOAVPZPLA-UHFFFAOYSA-N 1 0 490.906 8.351 1 0 JKAFRO CC(C)[NH2+]C[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1 ZINC000040891833 563153167 /nfs/dbraw/zinc/15/31/67/563153167.db2.gz SVEQZZDCYHGRFD-QGZVFWFLSA-N 1 0 497.462 5.393 1 0 JKAFRO CC1(C)[NH2+]C(C)(C)C(c2cccc3c4ccccc4oc32)=C1c1nc2c(cccc2C(N)=O)[nH]1 ZINC000040893607 563153518 /nfs/dbraw/zinc/15/35/18/563153518.db2.gz WVESEXLUPJDWFX-UHFFFAOYSA-N 1 0 450.542 5.632 1 0 JKAFRO CCn1c2ccc(Oc3ccnc(C(=O)NC)c3)cc2[nH+]c1Nc1ccc(Br)cc1 ZINC000040896269 563153932 /nfs/dbraw/zinc/15/39/32/563153932.db2.gz OCRUKNPFPIICEW-UHFFFAOYSA-N 1 0 466.339 5.109 1 0 JKAFRO C[N@@H+](CCC(=O)N1CCN(c2ccccc2Cl)CC1)CCC1c2ccccc2-c2ccccc21 ZINC000040897423 563154094 /nfs/dbraw/zinc/15/40/94/563154094.db2.gz JZXJABZOHNJHDC-UHFFFAOYSA-N 1 0 474.048 5.513 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccc4ccccc4n3)cc1)CC2 ZINC000040898871 563154463 /nfs/dbraw/zinc/15/44/63/563154463.db2.gz SVOYOGJLJFYPQH-UHFFFAOYSA-N 1 0 467.569 5.105 1 0 JKAFRO CCC[N@@H+]1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4ccccc4C(N)=O)n3)c(OC)c2)C1 ZINC000040918986 563156449 /nfs/dbraw/zinc/15/64/49/563156449.db2.gz JVXJTJQMTBZMJY-UHFFFAOYSA-N 1 0 497.603 5.052 1 0 JKAFRO CCOC(=O)CN1CCC2([NH+](C)C)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040939803 563158785 /nfs/dbraw/zinc/15/87/85/563158785.db2.gz IJFPWBHWVIOWLM-ANBAMDCGSA-N 1 0 475.460 5.592 1 0 JKAFRO Cc1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccc(OC2CC[NH+](C3CCC3)CC2)cc1 ZINC000040943626 563159143 /nfs/dbraw/zinc/15/91/43/563159143.db2.gz ZWUFGBNOUKQGBR-UHFFFAOYSA-N 1 0 457.496 5.109 1 0 JKAFRO C[NH+](C)Cc1ccccc1Sc1ccc(Br)cc1NC(=O)c1ccc(F)cc1 ZINC000040950080 563159304 /nfs/dbraw/zinc/15/93/04/563159304.db2.gz RFQRIBDCFRIQJX-UHFFFAOYSA-N 1 0 459.384 6.053 1 0 JKAFRO O=C(Nc1ccccc1-c1cn2c(CN3CC[NH2+]CC3)csc2n1)c1cccc(SC(F)F)c1 ZINC000040950975 563159610 /nfs/dbraw/zinc/15/96/10/563159610.db2.gz FHIOOSQBIZKFPX-UHFFFAOYSA-N 1 0 499.612 5.035 1 0 JKAFRO CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCC[NH+](C)C ZINC000040951925 563159745 /nfs/dbraw/zinc/15/97/45/563159745.db2.gz NSXJHUPJHMCRHH-FQEVSTJZSA-N 1 0 456.599 5.727 1 0 JKAFRO Cc1nc(C)c(C[NH+]2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)s1 ZINC000040952650 563160028 /nfs/dbraw/zinc/16/00/28/563160028.db2.gz XELLOVVHUOWNOK-UHFFFAOYSA-N 1 0 459.663 5.923 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000040956095 563160810 /nfs/dbraw/zinc/16/08/10/563160810.db2.gz KBWJAKGLKLIYCE-GGAORHGYSA-N 1 0 492.548 6.848 1 0 JKAFRO CC[N@@H+]1CCc2ccc(C(=O)Nc3cc(C)n(Cc4cc(Cl)ccc4OCC(C)C)n3)cc2CC1 ZINC000040956640 563160941 /nfs/dbraw/zinc/16/09/41/563160941.db2.gz BUYKZMPXFCPDJV-UHFFFAOYSA-N 1 0 495.067 5.601 1 0 JKAFRO C[C@@H]([NH2+][C@@H]1C[C@H](c2cccc(OCCF)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 ZINC000040956643 563160975 /nfs/dbraw/zinc/16/09/75/563160975.db2.gz IXKWGEYSEZLERR-ZYKLXPEUSA-N 1 0 486.509 6.251 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040956852 563161050 /nfs/dbraw/zinc/16/10/50/563161050.db2.gz GYUPRLSGDLPQAT-UHFFFAOYSA-N 1 0 495.067 6.166 1 0 JKAFRO CC(=O)N1CCC[C@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000040976899 563162287 /nfs/dbraw/zinc/16/22/87/563162287.db2.gz ZZNJOZRGMRQBSR-VWLOTQADSA-N 1 0 455.440 5.241 1 0 JKAFRO C=CC(=O)Nc1nc2c(cc1OCCC[NH+]1CCC(C)CC1)ncnc2Cc1ccc(F)c(Cl)c1 ZINC000040980796 563162556 /nfs/dbraw/zinc/16/25/56/563162556.db2.gz AWCQDWUIVITOIN-UHFFFAOYSA-N 1 0 498.002 5.033 1 0 JKAFRO CC(C)=CCC/C(C)=C/CN(CC[NH2+]C1C2CC3CC(C2)CC1C3)C(=O)OCOC(=O)C(C)C ZINC000042989461 563163827 /nfs/dbraw/zinc/16/38/27/563163827.db2.gz POWVTYPSWVXDAK-ZVBGSRNCSA-N 1 0 474.686 5.689 1 0 JKAFRO COc1cccc([C@@H](C)NC(=O)c2ccc(CC3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)c1 ZINC000042964250 563163860 /nfs/dbraw/zinc/16/38/60/563163860.db2.gz AXLJNTIGRWNBSE-OAQYLSRUSA-N 1 0 486.612 5.370 1 0 JKAFRO COc1ccc2c(c[n+]3c(c2OCc2ccc4ccccc4c2)-c2cc4c(cc2CC3)OCO4)c1OC ZINC000043019910 563164877 /nfs/dbraw/zinc/16/48/77/563164877.db2.gz CQYJDVLQMCIGMX-UHFFFAOYSA-N 1 0 492.551 5.829 1 0 JKAFRO O=C(Cc1ccc2c(c1)CCO2)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000043021080 563164956 /nfs/dbraw/zinc/16/49/56/563164956.db2.gz VCLUIMZGLXPWHU-UHFFFAOYSA-N 1 0 469.581 5.230 1 0 JKAFRO CC(C)NC(=[NH2+])c1ccc2oc(-c3ccc(OCCCCCCOc4ccccc4)cc3)cc2c1 ZINC000043024076 563165333 /nfs/dbraw/zinc/16/53/33/563165333.db2.gz DAPBXYFMHKUTNA-UHFFFAOYSA-N 1 0 470.613 7.441 1 0 JKAFRO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000043041497 563165441 /nfs/dbraw/zinc/16/54/41/563165441.db2.gz YCFHNXBBJUSNJO-QGZVFWFLSA-N 1 0 475.511 5.501 1 0 JKAFRO O=C(CN1CCCCC1)Nc1cc(C[NH+]2CCCCC2)cc(Nc2ccnc3ccc(Cl)cc32)c1 ZINC000043061631 563165831 /nfs/dbraw/zinc/16/58/31/563165831.db2.gz MWHROOHRHJUXDD-UHFFFAOYSA-N 1 0 492.067 6.042 1 0 JKAFRO Cc1ccccc1CNC(=O)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000043061638 563165841 /nfs/dbraw/zinc/16/58/41/563165841.db2.gz IYDOWMFSECKFHS-UHFFFAOYSA-N 1 0 456.586 5.108 1 0 JKAFRO C[C@@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccc(C[NH2+]C(C)(C)C)cc1C1CC1 ZINC000043068074 563166147 /nfs/dbraw/zinc/16/61/47/563166147.db2.gz SIBOXTPPQFRWMZ-QGZVFWFLSA-N 1 0 488.657 6.067 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@@H]1c1cccnc1 ZINC000043069918 563166232 /nfs/dbraw/zinc/16/62/32/563166232.db2.gz SRXKNIWFNXRRCM-RUZDIDTESA-N 1 0 497.565 5.402 1 0 JKAFRO CC(C)=CCC/C(C)=C/CN(CC[NH2+]C1C2CC3CC(C2)CC1C3)C(=O)O[C@H](C)OC(=O)C(C)C ZINC000043071783 563166351 /nfs/dbraw/zinc/16/63/51/563166351.db2.gz BANGMDMHQYVLMH-YBVIZKBUSA-N 1 0 488.713 6.077 1 0 JKAFRO CC(C)NC(=[NH2+])c1ccc2cc(-c3cccc(OCCCCCCOc4ccccc4)c3)oc2c1 ZINC000043075998 563166693 /nfs/dbraw/zinc/16/66/93/563166693.db2.gz FTGPGFDKAQZOJP-UHFFFAOYSA-N 1 0 470.613 7.441 1 0 JKAFRO Cc1nn(C2CCCCCC2)c2sc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cc12 ZINC000043102214 563167183 /nfs/dbraw/zinc/16/71/83/563167183.db2.gz DYCLOMHPBYAHIV-UHFFFAOYSA-N 1 0 451.640 5.306 1 0 JKAFRO CCC(=O)N(c1ccccc1)C1CC[NH+](CCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)CC1 ZINC000043195279 563168317 /nfs/dbraw/zinc/16/83/17/563168317.db2.gz OSXLPKKOKVOTIL-UHFFFAOYSA-N 1 0 497.683 5.359 1 0 JKAFRO NC(=[NH2+])Cc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000043195723 563168331 /nfs/dbraw/zinc/16/83/31/563168331.db2.gz QWOVGBHZFLBBHN-UHFFFAOYSA-N 1 0 482.346 5.716 1 0 JKAFRO O=c1c2cc(-c3cccc(Cl)c3)oc2ccn1-c1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000043198507 563168395 /nfs/dbraw/zinc/16/83/95/563168395.db2.gz WGDQNKHYIZFQMB-UHFFFAOYSA-N 1 0 458.949 5.350 1 0 JKAFRO C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(=O)CCc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)[NH+](C)C ZINC000044305770 563172107 /nfs/dbraw/zinc/17/21/07/563172107.db2.gz JSCQAKFYDNDOCI-BKGYVUQHSA-N 1 0 492.792 7.055 1 0 JKAFRO CCc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045167071 563172934 /nfs/dbraw/zinc/17/29/34/563172934.db2.gz NUQLPSRKPJYMHU-FQEVSTJZSA-N 1 0 472.576 6.248 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 ZINC000045168054 563173403 /nfs/dbraw/zinc/17/34/03/563173403.db2.gz DTYLDXCKQFPPKY-UHFFFAOYSA-N 1 0 462.956 5.417 1 0 JKAFRO Fc1cc(Cl)ccc1Nc1ccnc2cc(-c3scnc3C[NH2+]CCN3CCOCC3)ccc21 ZINC000045167807 563173413 /nfs/dbraw/zinc/17/34/13/563173413.db2.gz IPUAOVSMKIRSIE-UHFFFAOYSA-N 1 0 498.027 5.316 1 0 JKAFRO Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000045168375 563173636 /nfs/dbraw/zinc/17/36/36/563173636.db2.gz GQTCVGANRDYWJZ-RUZDIDTESA-N 1 0 455.533 5.588 1 0 JKAFRO COc1ccc(C[N@@H+]2CCCN(Cc3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)CC2)cc1 ZINC000045168380 563173645 /nfs/dbraw/zinc/17/36/45/563173645.db2.gz CWZUTTZDSMBAPE-UHFFFAOYSA-N 1 0 498.454 5.962 1 0 JKAFRO COC(=O)c1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000045168500 563173798 /nfs/dbraw/zinc/17/37/98/563173798.db2.gz HCEONJOZLUTGSX-OSPHWJPCSA-N 1 0 473.491 5.539 1 0 JKAFRO Cc1cc(N2CCC[N@H+](CC3CCCCC3)CC2)nc(Nc2ccc(Br)cc2)n1 ZINC000045168547 563173829 /nfs/dbraw/zinc/17/38/29/563173829.db2.gz IWYLDJWRVMUTCJ-UHFFFAOYSA-N 1 0 458.448 5.384 1 0 JKAFRO Nc1c(Cl)cc([C@@H](O)C[NH2+]CCCCCOCCc2ccc3ccccc3n2)cc1Cl ZINC000045168830 563173887 /nfs/dbraw/zinc/17/38/87/563173887.db2.gz XVQKMFWANPFATE-QHCPKHFHSA-N 1 0 462.421 5.176 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]CCc5ccncc5)c4)s3)nc2c1 ZINC000045169141 563174023 /nfs/dbraw/zinc/17/40/23/563174023.db2.gz FOZOYBBSDPTRGK-UHFFFAOYSA-N 1 0 478.543 6.705 1 0 JKAFRO O=C(Nc1ccc(Cl)cc1)c1ccc(C[N@@H+]2CCCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000045186514 563174065 /nfs/dbraw/zinc/17/40/65/563174065.db2.gz PEGOYHLOTUFQLL-UHFFFAOYSA-N 1 0 468.428 5.954 1 0 JKAFRO C[C@@H](Cc1ccc(OCCOc2ccccc2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000045186629 563174162 /nfs/dbraw/zinc/17/41/62/563174162.db2.gz HKIIYLVGOGVZLG-DFBJGRDBSA-N 1 0 459.508 5.417 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@@H+](Cc3ccc(O)cc3)CC2)c1)c1ccc(Br)cc1 ZINC000045187006 563174312 /nfs/dbraw/zinc/17/43/12/563174312.db2.gz TXIJVOKHRNVDKT-UHFFFAOYSA-N 1 0 494.433 5.115 1 0 JKAFRO Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1OC1CC[NH+](Cc2ccsc2)CC1 ZINC000045187009 563174345 /nfs/dbraw/zinc/17/43/45/563174345.db2.gz WTXAICLPHKNGHR-UHFFFAOYSA-N 1 0 457.599 5.900 1 0 JKAFRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)cc1 ZINC000045187003 563174375 /nfs/dbraw/zinc/17/43/75/563174375.db2.gz MHHFFEWKDTXUIP-UHFFFAOYSA-N 1 0 491.613 5.791 1 0 JKAFRO c1cc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccn3)cc2)oc1C[NH+]1CCCCC1 ZINC000045187098 563174382 /nfs/dbraw/zinc/17/43/82/563174382.db2.gz CYGOHFHPUFEMOC-UHFFFAOYSA-N 1 0 476.580 7.412 1 0 JKAFRO COc1cc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 ZINC000045188352 563174767 /nfs/dbraw/zinc/17/47/67/563174767.db2.gz NXNWQXLTENSPMS-WZONZLPQSA-N 1 0 459.508 5.547 1 0 JKAFRO COc1cc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 ZINC000045188346 563174865 /nfs/dbraw/zinc/17/48/65/563174865.db2.gz NXNWQXLTENSPMS-JPYJTQIMSA-N 1 0 459.508 5.547 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@H+](Cc3ccsc3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045188805 563174966 /nfs/dbraw/zinc/17/49/66/563174966.db2.gz SJIDNCWMPUFYAQ-UHFFFAOYSA-N 1 0 481.665 6.375 1 0 JKAFRO Nc1c(Cl)cc([C@@H](O)C[NH2+]CCCCCOCCc2ccc3occc3c2)cc1Cl ZINC000045188916 563175026 /nfs/dbraw/zinc/17/50/26/563175026.db2.gz FIZGURVTSGLMQW-NRFANRHFSA-N 1 0 451.394 5.374 1 0 JKAFRO Nc1c(Cl)cc([C@H](O)C[NH2+]CCCCCOCCc2ccc3occc3c2)cc1Cl ZINC000045188920 563175032 /nfs/dbraw/zinc/17/50/32/563175032.db2.gz FIZGURVTSGLMQW-OAQYLSRUSA-N 1 0 451.394 5.374 1 0 JKAFRO COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CCC2)CC1 ZINC000045188869 563175056 /nfs/dbraw/zinc/17/50/56/563175056.db2.gz GPRJURLPMBOELP-GDLZYMKVSA-N 1 0 475.652 5.375 1 0 JKAFRO OCC1CC[NH+](Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)CC1 ZINC000045189397 563175159 /nfs/dbraw/zinc/17/51/59/563175159.db2.gz ASQUGWICQHZJRG-UHFFFAOYSA-N 1 0 471.548 6.182 1 0 JKAFRO Cc1ccc(/C=C/C(=O)N2CCC(CC[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc1C ZINC000045189871 563175286 /nfs/dbraw/zinc/17/52/86/563175286.db2.gz CBRONOUWGIGLLI-MDZDMXLPSA-N 1 0 469.673 6.306 1 0 JKAFRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCN2CCCc3c(Br)cccc3C2=O)CC1 ZINC000045189733 563175290 /nfs/dbraw/zinc/17/52/90/563175290.db2.gz MSZWZYYBMWCJNZ-UHFFFAOYSA-N 1 0 478.434 5.417 1 0 JKAFRO O=C(N[C@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000045190064 563175392 /nfs/dbraw/zinc/17/53/92/563175392.db2.gz DNARKZAIDWEXCU-IBGZPJMESA-N 1 0 496.866 5.126 1 0 JKAFRO Nc1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)C=Cc5ccccc5Cl)CC4)CC3)c2n1 ZINC000045190022 563175447 /nfs/dbraw/zinc/17/54/47/563175447.db2.gz MSICFRLGRCCKTG-KPKJPENVSA-N 1 0 492.067 5.366 1 0 JKAFRO CSc1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4cccc(Cl)c4)s3)CC2)cc1 ZINC000045190485 563175571 /nfs/dbraw/zinc/17/55/71/563175571.db2.gz OQZKKNZZCNGGCO-UHFFFAOYSA-N 1 0 457.064 6.185 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC000045190507 563175580 /nfs/dbraw/zinc/17/55/80/563175580.db2.gz REAGGWVVFJSHFC-UHFFFAOYSA-N 1 0 478.423 6.536 1 0 JKAFRO CCC[NH2+]Cc1ccc(-c2ccc(CN(C[C@H]3CCCO3)C(=O)[C@@H]3CC(=O)c4ccccc43)cc2)nc1 ZINC000045190937 563175672 /nfs/dbraw/zinc/17/56/72/563175672.db2.gz DWSILWRKVWCDDB-LEAFIULHSA-N 1 0 497.639 5.126 1 0 JKAFRO CCC[NH2+]Cc1ccc(-c2ccc(CN(C[C@@H]3CCCO3)C(=O)[C@H]3CC(=O)c4ccccc43)cc2)nc1 ZINC000045190940 563175682 /nfs/dbraw/zinc/17/56/82/563175682.db2.gz DWSILWRKVWCDDB-LSYYVWMOSA-N 1 0 497.639 5.126 1 0 JKAFRO CC(C)(C)c1ccc(NC(=O)c2cccc(CN3CCC[N@H+](Cc4ccc(F)cc4)CC3)c2)cc1 ZINC000045191693 563175909 /nfs/dbraw/zinc/17/59/09/563175909.db2.gz SKPDTDONHORJCG-UHFFFAOYSA-N 1 0 473.636 6.083 1 0 JKAFRO Fc1cccc(COc2ccc(Nc3ncnc4cc(/C=C/[C@@H]5CCC[NH2+]5)sc43)cc2Cl)c1 ZINC000045191933 563175996 /nfs/dbraw/zinc/17/59/96/563175996.db2.gz GTNGFIZTQHIZPW-IWHGQQBYSA-N 1 0 480.996 6.572 1 0 JKAFRO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000045191784 563176005 /nfs/dbraw/zinc/17/60/05/563176005.db2.gz GTLKTVGLWWPUKS-JLHYYAGUSA-N 1 0 483.578 6.366 1 0 JKAFRO COc1ccc(NC(=O)Nc2nc(-c3ccc(Cl)c(C)c3)cs2)cc1N1CC[NH+](C)CC1 ZINC000045192052 563176032 /nfs/dbraw/zinc/17/60/32/563176032.db2.gz UDJBJRNPNAFYSQ-UHFFFAOYSA-N 1 0 472.014 5.176 1 0 JKAFRO COc1ccc(C[N@@H+]2CCCN(Cc3cccc(NC(=O)c4cc5ccccc5s4)c3)CC2)cc1 ZINC000045192080 563176100 /nfs/dbraw/zinc/17/61/00/563176100.db2.gz LEMUFQUGYAOUFI-UHFFFAOYSA-N 1 0 485.653 5.870 1 0 JKAFRO C[C@H](C[NH+](C)C)C(=O)Nc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045192196 563176133 /nfs/dbraw/zinc/17/61/33/563176133.db2.gz XFTIMJLZGPOGLS-MRXNPFEDSA-N 1 0 466.507 6.052 1 0 JKAFRO COc1cc(C(=O)NC2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc(Cl)n1 ZINC000045192388 563176301 /nfs/dbraw/zinc/17/63/01/563176301.db2.gz PFNPWSRLHYHBNV-UHFFFAOYSA-N 1 0 481.040 5.393 1 0 JKAFRO CCCc1cc(OC)c(C[C@@H]2c3cc(O)c(Cl)cc3[C@@H](c3ccccc3)C[N@H+]2C)cc1OC ZINC000045192525 563176378 /nfs/dbraw/zinc/17/63/78/563176378.db2.gz IYLAZUJRKCNETC-ILBGXUMGSA-N 1 0 466.021 6.376 1 0 JKAFRO CC[C@H](COCc1ccc(Cl)cc1)[N@@H+](C)CCN(C)[C@@H](CC)COCc1ccc(Cl)cc1 ZINC000045192907 563176471 /nfs/dbraw/zinc/17/64/71/563176471.db2.gz CZJCLWXUOAVPSF-WMPKNSHKSA-N 1 0 481.508 6.148 1 0 JKAFRO C[C@H](C[NH+](C)C)C(=O)Nc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045193026 563176510 /nfs/dbraw/zinc/17/65/10/563176510.db2.gz ORLSOBFZUWVKII-MRXNPFEDSA-N 1 0 466.507 6.052 1 0 JKAFRO COc1cc(NC(=O)N2CCc3ccc(OCC[NH+](C(C)C)C(C)C)cc32)cc(C(F)(F)F)c1 ZINC000045193260 563176614 /nfs/dbraw/zinc/17/66/14/563176614.db2.gz VQJCLLWNPNGLMS-UHFFFAOYSA-N 1 0 479.543 5.806 1 0 JKAFRO O=C(Nc1cccc(OC2CC[NH+](Cc3ccccc3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045193603 563176815 /nfs/dbraw/zinc/17/68/15/563176815.db2.gz LCTAGRAFQNFWLI-UHFFFAOYSA-N 1 0 455.385 6.289 1 0 JKAFRO O=C(Nc1cccc(C[N@H+]2CCCN(Cc3cccc(F)c3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045193819 563176824 /nfs/dbraw/zinc/17/68/24/563176824.db2.gz XIZJQZVYJTVUAO-UHFFFAOYSA-N 1 0 486.418 6.093 1 0 JKAFRO O=C(/C=C/c1cccc(Cl)c1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045194433 563177008 /nfs/dbraw/zinc/17/70/08/563177008.db2.gz LPJFUEFKJUVRAR-JLHYYAGUSA-N 1 0 476.064 6.389 1 0 JKAFRO c1cc(-c2cc3c(cn2)ncnc3Nc2ccc(OCc3ccccc3)cc2)oc1C[NH+]1CCCCC1 ZINC000045194510 563177160 /nfs/dbraw/zinc/17/71/60/563177160.db2.gz HFLIIKDYKWPBME-UHFFFAOYSA-N 1 0 491.595 6.593 1 0 JKAFRO CCc1c2cc(OC)ccc2[nH]c1C(=O)NC1CCC([NH+]2CCC(c3ccccc3C)CC2)CC1 ZINC000045194681 563177203 /nfs/dbraw/zinc/17/72/03/563177203.db2.gz QKKDWYLZSGWDAH-UHFFFAOYSA-N 1 0 473.661 5.968 1 0 JKAFRO O=C1Nc2cccc3c2[C@]1(CCCC[NH+]1CCC(c2c[nH]c4cc(C(F)(F)F)ccc42)CC1)CCC3 ZINC000045194764 563177303 /nfs/dbraw/zinc/17/73/03/563177303.db2.gz VGKJVZGDHUVNBX-NDEPHWFRSA-N 1 0 495.589 6.763 1 0 JKAFRO Cc1ccc(C[NH+]2CCN(Cc3cccc(NC(=O)c4ccc5ccccc5c4)c3)CC2)cc1C ZINC000045195615 563177489 /nfs/dbraw/zinc/17/74/89/563177489.db2.gz SLTPQXLITIOYLF-UHFFFAOYSA-N 1 0 463.625 6.027 1 0 JKAFRO O=C(C=Cc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045195569 563177582 /nfs/dbraw/zinc/17/75/82/563177582.db2.gz LJDURJDXTXJFCV-MDWZMJQESA-N 1 0 471.004 5.677 1 0 JKAFRO CC(=O)Nc1cccc(C[NH2+]Cc2ccc(-c3cnc(N4CCC[C@H](c5ccccc5)C4)nc3)cc2)c1 ZINC000045195733 563177603 /nfs/dbraw/zinc/17/76/03/563177603.db2.gz LMMSGRVLWAYDKC-NDEPHWFRSA-N 1 0 491.639 5.776 1 0 JKAFRO COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1CN1CCC[N@H+](C)CC1 ZINC000045195759 563177667 /nfs/dbraw/zinc/17/76/67/563177667.db2.gz OIEVBIJURUDSRZ-UHFFFAOYSA-N 1 0 481.999 5.545 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045196092 563177868 /nfs/dbraw/zinc/17/78/68/563177868.db2.gz GFAGXRZQRSESPD-HSZRJFAPSA-N 1 0 486.603 6.736 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]Cc5ccccc5)cc4)cc3)nc2c1 ZINC000045201256 563178068 /nfs/dbraw/zinc/17/80/68/563178068.db2.gz TYYGPVNCPQFCBO-UHFFFAOYSA-N 1 0 457.499 7.206 1 0 JKAFRO O=C(NC[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)c1cc(-c2cccc(Cl)c2)cs1 ZINC000045201509 563178153 /nfs/dbraw/zinc/17/81/53/563178153.db2.gz JYTLXXHUGLVRAI-QGZVFWFLSA-N 1 0 478.967 6.339 1 0 JKAFRO O=C(/C=C/C=C/c1ccccc1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045201350 563178184 /nfs/dbraw/zinc/17/81/84/563178184.db2.gz MBDVLHASBHCAMT-GODDPXKCSA-N 1 0 467.657 6.292 1 0 JKAFRO CCc1cc2c(cc1OCC[NH+](C)C)N(C(=O)Nc1ccc(-c3ccncc3)c(Cl)c1)CC2 ZINC000045201846 563178470 /nfs/dbraw/zinc/17/84/70/563178470.db2.gz FSDLFTRDHVRSJH-UHFFFAOYSA-N 1 0 464.997 5.499 1 0 JKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000045201895 563178513 /nfs/dbraw/zinc/17/85/13/563178513.db2.gz WJVNIRVCFWWYIQ-OACKQWDFSA-N 1 0 450.410 5.399 1 0 JKAFRO O=C1NCN(c2ccc(O)cc2)C12CC[NH+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000045202245 563178562 /nfs/dbraw/zinc/17/85/62/563178562.db2.gz ZZZJENGKAQHRGW-UHFFFAOYSA-N 1 0 491.582 5.011 1 0 JKAFRO Cc1[nH]c2cc(Cl)ccc2c1C1=CC[N@H+](CCCC[C@@]2(C)C(=O)Nc3c2cccc3F)CC1 ZINC000045202295 563178591 /nfs/dbraw/zinc/17/85/91/563178591.db2.gz MVOLZYMREZWVGS-HHHXNRCGSA-N 1 0 466.000 6.438 1 0 JKAFRO Fc1ccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(c6cnccn6)CC5)cc4)s3)nc2c1 ZINC000045202281 563178603 /nfs/dbraw/zinc/17/86/03/563178603.db2.gz HZLRABPIYVLJMX-UHFFFAOYSA-N 1 0 470.577 5.210 1 0 JKAFRO C[C@H](Cc1ccc(OCCCCOc2ccccc2)cc1)[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000045202314 563178701 /nfs/dbraw/zinc/17/87/01/563178701.db2.gz GGQNBWVQFUZORK-HSZRJFAPSA-N 1 0 457.618 5.954 1 0 JKAFRO C[NH+](C)Cc1ccc(-c2ccc(NC(=O)c3ccc4c(c3)ncn(Cc3ccccc3)c4=O)cc2)cc1 ZINC000045202394 563178705 /nfs/dbraw/zinc/17/87/05/563178705.db2.gz ZYKNCGPXKXWWJE-UHFFFAOYSA-N 1 0 488.591 5.426 1 0 JKAFRO CN1CCC[N@H+](Cc2cccc(-c3ccc(CNC(=O)c4cccc(Cl)c4)c(F)c3)c2)CC1 ZINC000045202349 563178722 /nfs/dbraw/zinc/17/87/22/563178722.db2.gz ODJYCSBWEUKIPI-UHFFFAOYSA-N 1 0 466.000 5.214 1 0 JKAFRO O=C(/C=C/c1ccccc1O)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045202484 563178761 /nfs/dbraw/zinc/17/87/61/563178761.db2.gz XHWRXJWWPJRXRQ-SDNWHVSQSA-N 1 0 457.618 5.441 1 0 JKAFRO Fc1cc(C[NH+]2CCCC2)ccc1OCCCN1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000045209844 563179200 /nfs/dbraw/zinc/17/92/00/563179200.db2.gz VHSYKPDTNIDCCL-UHFFFAOYSA-N 1 0 466.428 5.319 1 0 JKAFRO Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(OCC[NH+](C)C)cc(C(F)(F)F)c1)CC2 ZINC000045210150 563179347 /nfs/dbraw/zinc/17/93/47/563179347.db2.gz IOHFBPCTQCQNJK-UHFFFAOYSA-N 1 0 475.433 5.568 1 0 JKAFRO Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccs2)nc(NCC2CCCCC2)[nH+]1 ZINC000045210146 563179353 /nfs/dbraw/zinc/17/93/53/563179353.db2.gz ZOFHWYCULKNFIQ-QHCPKHFHSA-N 1 0 463.651 5.178 1 0 JKAFRO CC(C)(C[NH2+]Cc1ccc(F)c(F)c1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000045210611 563179406 /nfs/dbraw/zinc/17/94/06/563179406.db2.gz RZWNBGCBUNIMCG-UHFFFAOYSA-N 1 0 468.935 5.843 1 0 JKAFRO S=C(NCCc1ccc(Cl)cc1)N1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045211019 563179468 /nfs/dbraw/zinc/17/94/68/563179468.db2.gz QQTFXLZRSIESDQ-UHFFFAOYSA-N 1 0 495.136 5.830 1 0 JKAFRO CC(C)CCNC(=O)[C@@H]1Cc2c3ccc(Cl)cc3[nH]c2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000045226709 563179722 /nfs/dbraw/zinc/17/97/22/563179722.db2.gz VKKAFEINEJIDMX-SANMLTNESA-N 1 0 493.095 5.032 1 0 JKAFRO O=S(=O)(Nc1ccc(CCN2CCC([NH+]3CCCCC3)CC2)cc1)c1ccc2ccccc2c1 ZINC000045226643 563179725 /nfs/dbraw/zinc/17/97/25/563179725.db2.gz UFHNZHOCNXGFQH-UHFFFAOYSA-N 1 0 477.674 5.133 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3ccc(-c4cccs4)s3)CC2)CC1 ZINC000045226872 563179812 /nfs/dbraw/zinc/17/98/12/563179812.db2.gz UENZMZYBGSZKLW-UHFFFAOYSA-N 1 0 464.700 6.706 1 0 JKAFRO CC(C)NC(=O)c1cccc(-c2cccc(OCC[N@@H+]3CCSC[C@@H]3c3ccccc3)c2)c1 ZINC000045227269 563180010 /nfs/dbraw/zinc/18/00/10/563180010.db2.gz STAQIPUZPUJITP-HHHXNRCGSA-N 1 0 460.643 5.661 1 0 JKAFRO COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(-c4noc(C)n4)cc3)cc2)cc1OCC[NH+](C)C ZINC000045227288 563180064 /nfs/dbraw/zinc/18/00/64/563180064.db2.gz VVKSRDULODAPOH-FRKPEAEDSA-N 1 0 498.583 5.313 1 0 JKAFRO C[C@@H]1C[C@@H]([NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c2cc(Cl)c(Cl)c(Cl)c21 ZINC000045227731 563180156 /nfs/dbraw/zinc/18/01/56/563180156.db2.gz VPQQBXYJMKGVQV-SJKOYZFVSA-N 1 0 450.797 6.128 1 0 JKAFRO COc1ccccc1-c1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)s1 ZINC000045227670 563180197 /nfs/dbraw/zinc/18/01/97/563180197.db2.gz KZHPUIHITAIBMM-IBGZPJMESA-N 1 0 488.575 6.085 1 0 JKAFRO CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3cc(C[NH+]4CCCC4)ccc3[nH]2)co1 ZINC000045227714 563180222 /nfs/dbraw/zinc/18/02/22/563180222.db2.gz KICIIXQATZKCJZ-UHFFFAOYSA-N 1 0 464.997 6.093 1 0 JKAFRO CN(C)CC[NH2+]Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)o1 ZINC000045228085 563180334 /nfs/dbraw/zinc/18/03/34/563180334.db2.gz YRCHJGHKMSBRSK-UHFFFAOYSA-N 1 0 478.596 6.682 1 0 JKAFRO COc1cccc(C[N@@H+]2CCCN(Cc3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)CC2)c1 ZINC000045228358 563180429 /nfs/dbraw/zinc/18/04/29/563180429.db2.gz SXWUJBOQGSAIMY-UHFFFAOYSA-N 1 0 498.454 5.962 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]C[C@@H]5CCCO5)cc4)s3)nc2c1 ZINC000045228490 563180434 /nfs/dbraw/zinc/18/04/34/563180434.db2.gz MLDKNYIBPOAVJX-SFHVURJKSA-N 1 0 457.521 6.246 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3csc(-c4cccc(Cl)c4)n3)CC2)CC1 ZINC000045229119 563180675 /nfs/dbraw/zinc/18/06/75/563180675.db2.gz XVYAEKZMHRGWAP-UHFFFAOYSA-N 1 0 494.104 6.693 1 0 JKAFRO O=C(/C=C/c1ccc2ccccc2c1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000045229122 563180695 /nfs/dbraw/zinc/18/06/95/563180695.db2.gz ZCIWFEFVQAMSQP-FYWRMAATSA-N 1 0 465.641 6.500 1 0 JKAFRO C[NH+](C)Cc1cccc2[nH]c(-c3csc(Cc4cc(Cl)ccc4OCc4ccccc4)n3)nc21 ZINC000045229007 563180709 /nfs/dbraw/zinc/18/07/09/563180709.db2.gz RXLHAAWCCDFWFY-UHFFFAOYSA-N 1 0 489.044 6.571 1 0 JKAFRO c1snnc1-c1ccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)cc1 ZINC000045229605 563180827 /nfs/dbraw/zinc/18/08/27/563180827.db2.gz LLSLEHAYWKAHAZ-UHFFFAOYSA-N 1 0 473.605 6.705 1 0 JKAFRO O=C(c1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1)N1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000045229611 563180902 /nfs/dbraw/zinc/18/09/02/563180902.db2.gz XSKSEXCNQSYOFN-UIOOFZCWSA-N 1 0 498.602 5.097 1 0 JKAFRO Cc1nc(-c2cccc(C(F)(F)F)c2)n2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)ncc12 ZINC000045230246 563181027 /nfs/dbraw/zinc/18/10/27/563181027.db2.gz XXEFWTLZRFQXAQ-UHFFFAOYSA-N 1 0 482.510 5.337 1 0 JKAFRO CC(C)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4cccc(O)c4)CC3)cc2)cc1 ZINC000045230252 563181054 /nfs/dbraw/zinc/18/10/54/563181054.db2.gz JOSRDKMSYCVTSF-UHFFFAOYSA-N 1 0 457.618 5.476 1 0 JKAFRO C[C@@H](Cc1ccc(OCc2ccccc2)c(Cl)c1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000045230889 563181289 /nfs/dbraw/zinc/18/12/89/563181289.db2.gz XLFXFVTYEMKFBE-GAJHUEQPSA-N 1 0 463.927 6.192 1 0 JKAFRO C[N@@H+]1CC[C@@H](Oc2cc(CNC(=O)c3ccc(-c4ccc(Cl)cc4)s3)ccc2C(F)(F)F)C1 ZINC000045231007 563181390 /nfs/dbraw/zinc/18/13/90/563181390.db2.gz KHXVCBLGQIXSIH-GOSISDBHSA-N 1 0 494.966 6.100 1 0 JKAFRO CCc1sc(SCc2cc(N3CCOCC3)cc(NCc3cccc(C)n3)[nH+]2)nc1CF ZINC000045253132 563181953 /nfs/dbraw/zinc/18/19/53/563181953.db2.gz OJWQJNHSFUJYHV-UHFFFAOYSA-N 1 0 473.643 5.014 1 0 JKAFRO Cn1nccc1-c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1OCC[NH+]1CCCCC1 ZINC000045253203 563182047 /nfs/dbraw/zinc/18/20/47/563182047.db2.gz KJWDKQZUAKOKBX-UHFFFAOYSA-N 1 0 453.974 5.249 1 0 JKAFRO Clc1ccc([C@H]2[NH+]=C(N3CCN(c4ccccn4)CC3)NC3=C2CCc2ccccc23)c(Cl)c1 ZINC000045253578 563182195 /nfs/dbraw/zinc/18/21/95/563182195.db2.gz VCPFDMTXQLGBNW-AREMUKBSSA-N 1 0 490.438 5.568 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](CCC3CCCCC3)CC2)cc1 ZINC000045254258 563182319 /nfs/dbraw/zinc/18/23/19/563182319.db2.gz XZVUWHKJPBDVIT-UHFFFAOYSA-N 1 0 477.693 6.447 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CC[NH+](CCc3ccco3)CC2)cc1 ZINC000045255191 563182554 /nfs/dbraw/zinc/18/25/54/563182554.db2.gz GLXWYQQJFYJTRN-UHFFFAOYSA-N 1 0 475.633 5.615 1 0 JKAFRO [NH2+]=C1N[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCCCN12 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C[C@H]1CCCC[N@@H+]1CCCNc1ncc(C(=O)NCCc2ccccc2)c(NCC2CCCCC2)n1 ZINC000045324090 563188994 /nfs/dbraw/zinc/18/89/94/563188994.db2.gz IEZHKLPTPFEMLC-QHCPKHFHSA-N 1 0 492.712 5.118 1 0 JKAFRO O=C(c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1)N1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000045324159 563189010 /nfs/dbraw/zinc/18/90/10/563189010.db2.gz ONABTWKVVABHNB-YADHBBJMSA-N 1 0 486.641 5.020 1 0 JKAFRO Cc1ccc2[nH]c(-c3ccc(C=CC(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)nc2c1C ZINC000045324268 563189138 /nfs/dbraw/zinc/18/91/38/563189138.db2.gz NMIAYXSLOXGMMN-RVDMUPIBSA-N 1 0 464.613 5.641 1 0 JKAFRO Oc1cc(Nc2ccnc3cc(-c4cccc(C[NH+]5CCCCC5)c4)ccc32)c(F)cc1Cl ZINC000045324875 563189231 /nfs/dbraw/zinc/18/92/31/563189231.db2.gz GOHXMUUTUCYNHM-UHFFFAOYSA-N 1 0 461.968 7.129 1 0 JKAFRO Cc1ccc(Cn2cnc3cc(C(=O)Nc4ccc(-c5cccc(C[NH+](C)C)c5)cc4)ccc3c2=O)o1 ZINC000045324573 563189319 /nfs/dbraw/zinc/18/93/19/563189319.db2.gz IXDLCKQBBWECOA-UHFFFAOYSA-N 1 0 492.579 5.327 1 0 JKAFRO Oc1cc(Nc2ccnc3cc(-c4ccc(C[NH+]5CCCCC5)o4)c(Cl)cc32)c(Cl)cc1F ZINC000045324964 563189365 /nfs/dbraw/zinc/18/93/65/563189365.db2.gz KHSXKJBBSHWVGK-UHFFFAOYSA-N 1 0 486.374 7.376 1 0 JKAFRO COc1ccc(C(=O)[C@H]2C[C@H]2C[N@H+]2CC=C(c3c[nH]c4cccc(Br)c43)CC2)cc1 ZINC000045334631 563189488 /nfs/dbraw/zinc/18/94/88/563189488.db2.gz KCWXRCHMZWEHEO-ICSRJNTNSA-N 1 0 465.391 5.547 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@H+](Cc3ccccc3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045334538 563189502 /nfs/dbraw/zinc/18/95/02/563189502.db2.gz RPEFLFGKCQKQAD-UHFFFAOYSA-N 1 0 475.636 6.314 1 0 JKAFRO COc1ccc(C(=O)[C@@H]2C[C@H]2C[N@H+]2CC=C(c3c[nH]c4cccc(Br)c43)CC2)cc1 ZINC000045334629 563189519 /nfs/dbraw/zinc/18/95/19/563189519.db2.gz KCWXRCHMZWEHEO-AZUAARDMSA-N 1 0 465.391 5.547 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3cc(-c4ccc(Cl)cc4)cs3)CC2)CC1 ZINC000045334769 563189618 /nfs/dbraw/zinc/18/96/18/563189618.db2.gz OYJUBNTVRMEGID-UHFFFAOYSA-N 1 0 493.116 7.298 1 0 JKAFRO 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Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccc(O)cc3)cc12 ZINC000045350614 563191725 /nfs/dbraw/zinc/19/17/25/563191725.db2.gz RFEGALABMKZYJT-QFIPXVFZSA-N 1 0 450.542 5.255 1 0 JKAFRO CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C\CCCCCCCCCCCCCCC[NH3+])C(=O)O1 ZINC000045367123 563193226 /nfs/dbraw/zinc/19/32/26/563193226.db2.gz QQZHIJVXRNHFGH-AMLZPZLTSA-N 1 0 467.691 5.600 1 0 JKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5cc(F)ccc45)cnc3-c3ccoc3)cc12 ZINC000045375120 563194184 /nfs/dbraw/zinc/19/41/84/563194184.db2.gz ZOIKPWQCQBPTJF-NRFANRHFSA-N 1 0 481.531 5.763 1 0 JKAFRO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cccc(OC(F)(F)F)c4)c3CC[C@H]21 ZINC000045375298 563194211 /nfs/dbraw/zinc/19/42/11/563194211.db2.gz VRUUWJUSPIOSIG-ILBGXUMGSA-N 1 0 473.922 6.546 1 0 JKAFRO O=C1NCc2ccc3c(c21)C[C@H]([N@H+](CCCc1c[nH]c2ccc(F)cc12)CC1CCCCC1)CO3 ZINC000045385208 563194370 /nfs/dbraw/zinc/19/43/70/563194370.db2.gz YSSIIPYBUIAJAO-QHCPKHFHSA-N 1 0 475.608 5.369 1 0 JKAFRO CC(C)OC(=O)C1=CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045386813 563194541 /nfs/dbraw/zinc/19/45/41/563194541.db2.gz MPRWCNMYLYRYRB-UHFFFAOYSA-N 1 0 485.628 5.490 1 0 JKAFRO O=C(NC1CC1)c1ccc(F)c2c1C[C@H]([N@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000045484547 563195397 /nfs/dbraw/zinc/19/53/97/563195397.db2.gz KFSYSSDWPKWGAJ-NRFANRHFSA-N 1 0 479.571 5.129 1 0 in-vitro JKAFRO NC(=[NH2+])c1ccc2[nH]c(-c3ccc4[nH]c(-c5ccc(Oc6ccc(Cl)cc6)cc5)nc4c3)nc2c1 ZINC000045496520 563195728 /nfs/dbraw/zinc/19/57/28/563195728.db2.gz PFNCLGSLYICXFT-UHFFFAOYSA-N 1 0 478.943 6.503 1 0 JKAFRO c1ccc(-c2ccccc2OCC[NH2+]C[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000049017352 563197417 /nfs/dbraw/zinc/19/74/17/563197417.db2.gz QTXPSJZUMKDMGD-MHZLTWQESA-N 1 0 451.566 5.639 1 0 JKAFRO COc1ccc([C@]23C[C@H]2C[N@H+](CCCSc2nnc(-c4cccc5nc(C)ccc54)n2C)C3)cc1 ZINC000049031539 563197826 /nfs/dbraw/zinc/19/78/26/563197826.db2.gz NKIUMOVWDJZMRB-RBTNQOKQSA-N 1 0 485.657 5.103 1 0 JKAFRO 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Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+](C)CCc4ccccn4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049045962 563199335 /nfs/dbraw/zinc/19/93/35/563199335.db2.gz RJZOXRCGKHOTLP-UHFFFAOYSA-N 1 0 475.946 5.792 1 0 JKAFRO CC[NH+](CC)CCOc1ccc([C@H]2Oc3ccccc3C3=C2c2ccc(O)cc2OCC3)cc1 ZINC000049047991 563199582 /nfs/dbraw/zinc/19/95/82/563199582.db2.gz KOJRQQVBJKHPBA-GDLZYMKVSA-N 1 0 457.570 5.940 1 0 JKAFRO Oc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)C1=C2CCOc2ccccc21 ZINC000049048438 563199613 /nfs/dbraw/zinc/19/96/13/563199613.db2.gz IRZRURKICLRQNH-SSEXGKCCSA-N 1 0 469.581 6.084 1 0 JKAFRO Oc1ccc2c(c1)OCCC1=C2[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2ccccc21 ZINC000049049452 563199766 /nfs/dbraw/zinc/19/97/66/563199766.db2.gz UHHJAEWQYDXZDY-SSEXGKCCSA-N 1 0 469.581 6.084 1 0 JKAFRO O[C@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000049049857 563199791 /nfs/dbraw/zinc/19/97/91/563199791.db2.gz GUUVDZUIGHHPED-QCENPCRXSA-N 1 0 466.625 5.125 1 0 JKAFRO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000049050210 563199898 /nfs/dbraw/zinc/19/98/98/563199898.db2.gz TVRZRERPNYESQK-UHFFFAOYSA-N 1 0 452.952 6.344 1 0 JKAFRO Oc1ccc2c(c1)O[C@H](c1cccc(OCC[NH+]3CCCCC3)c1)C1=C2CCOc2cc(O)ccc21 ZINC000049051844 563200127 /nfs/dbraw/zinc/20/01/27/563200127.db2.gz XGYIXXBEYYYIGU-SSEXGKCCSA-N 1 0 485.580 5.790 1 0 JKAFRO [NH3+]C(CO)(CO)CCc1ccc(-c2ccc(Sc3ccc(C(F)(F)F)cc3)cc2F)cc1 ZINC000049066862 563200689 /nfs/dbraw/zinc/20/06/89/563200689.db2.gz KCNVWEJOMWMFMO-UHFFFAOYSA-N 1 0 465.512 5.277 1 0 JKAFRO COc1ccc(CNC(=O)N(c2ccc(Br)cc2)C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000049068674 563200978 /nfs/dbraw/zinc/20/09/78/563200978.db2.gz FFEZHLXOXUSNKU-UHFFFAOYSA-N 1 0 486.454 5.581 1 0 JKAFRO CSc1ccc(CCCCCn2cc(CC[NH3+])c3cc(OCCc4ccc(O)cc4)ccc32)cc1 ZINC000049070127 563201163 /nfs/dbraw/zinc/20/11/63/563201163.db2.gz KTYVAFOTAYILKZ-UHFFFAOYSA-N 1 0 488.697 6.605 1 0 JKAFRO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H](c1ccccc1)[C@H](c1ccccc1)[C@]21CCCCC1=O ZINC000049071718 563201360 /nfs/dbraw/zinc/20/13/60/563201360.db2.gz GCVHGBBHGIHDAR-VFNZBSSOSA-N 1 0 456.973 5.745 1 0 JKAFRO c1ccc(C[NH2+]Cc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)cc1 ZINC000049087839 563201610 /nfs/dbraw/zinc/20/16/10/563201610.db2.gz MOIAEONNKTVXJK-SSEXGKCCSA-N 1 0 487.651 6.328 1 0 JKAFRO c1ccc(C[NH2+]Cc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)cc1 ZINC000049087841 563201618 /nfs/dbraw/zinc/20/16/18/563201618.db2.gz MOIAEONNKTVXJK-PMERELPUSA-N 1 0 487.651 6.328 1 0 JKAFRO CCCCc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(CC(C)(C)[NH3+])cc3)cc2)cc1 ZINC000049089741 563201988 /nfs/dbraw/zinc/20/19/88/563201988.db2.gz TYKABRYDMFEULN-UHFFFAOYSA-N 1 0 494.661 5.754 1 0 JKAFRO COc1ccc2c(c1)O[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000049089667 563202030 /nfs/dbraw/zinc/20/20/30/563202030.db2.gz MEGWHNJGIHFDSO-HKBQPEDESA-N 1 0 499.607 6.093 1 0 JKAFRO CC[N@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1ccccc1C ZINC000049089767 563202035 /nfs/dbraw/zinc/20/20/35/563202035.db2.gz LGKZWFDKBAROEW-UHFFFAOYSA-N 1 0 488.985 7.053 1 0 JKAFRO O=C(Nc1ccccc1Cl)c1cc(N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000049109550 563202092 /nfs/dbraw/zinc/20/20/92/563202092.db2.gz HDTGBQZIFYDUCA-UHFFFAOYSA-N 1 0 451.920 5.676 1 0 JKAFRO O[C@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000049115686 563202815 /nfs/dbraw/zinc/20/28/15/563202815.db2.gz ZHQYRUMAKQCXTF-FIBWVYCGSA-N 1 0 487.043 5.782 1 0 JKAFRO O[C@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000049115690 563202867 /nfs/dbraw/zinc/20/28/67/563202867.db2.gz ZHQYRUMAKQCXTF-BHBYDHKZSA-N 1 0 487.043 5.782 1 0 JKAFRO Cc1c2c(C=Cc3cccc(CN4CC[NH+](C)CC4)c3)n[nH]c2ccc1NC(=O)Cc1cccs1 ZINC000049115711 563202874 /nfs/dbraw/zinc/20/28/74/563202874.db2.gz SCANZEHBHPIJEQ-CMDGGOBGSA-N 1 0 485.657 5.032 1 0 JKAFRO CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000053230517 563205306 /nfs/dbraw/zinc/20/53/06/563205306.db2.gz DLCXKRUOCYZVCV-UHFFFAOYSA-N 1 0 453.030 5.249 1 0 JKAFRO CCCCN1C(=O)[C@H](CC(C)(C)C)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000053244139 563205440 /nfs/dbraw/zinc/20/54/40/563205440.db2.gz OEHXYHBWSHDLSO-SANMLTNESA-N 1 0 491.676 5.377 1 0 JKAFRO CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000053293986 563205579 /nfs/dbraw/zinc/20/55/79/563205579.db2.gz URXQLFJLHJOMLX-UHFFFAOYSA-N 1 0 486.582 5.615 1 0 JKAFRO CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3ccccc3Cl)CC2)o1 ZINC000053294987 563205626 /nfs/dbraw/zinc/20/56/26/563205626.db2.gz POGJNLHIXCWOHV-UHFFFAOYSA-N 1 0 453.030 5.249 1 0 JKAFRO CC[C@](C)(CC[NH+]1CCCCC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 ZINC000058506770 563206790 /nfs/dbraw/zinc/20/67/90/563206790.db2.gz LQTUVTFQPOMQHL-GDLZYMKVSA-N 1 0 465.682 5.492 1 0 JKAFRO Cn1c2ccccc2cc(CN(C(=O)C2CCCCC2)C(C)(C)CC[NH+]2CCCCC2)c1=O ZINC000058511457 563206798 /nfs/dbraw/zinc/20/67/98/563206798.db2.gz VLRCNVZXPIUSDI-UHFFFAOYSA-N 1 0 451.655 5.102 1 0 JKAFRO CCOc1cc(C[NH+]2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000058506816 563206800 /nfs/dbraw/zinc/20/68/00/563206800.db2.gz XQGOSGUJZCQEOJ-UHFFFAOYSA-N 1 0 491.607 5.388 1 0 JKAFRO C[NH+]1CCN(c2ccc(Nc3ccnc4ccc(-c5ccc(C(F)(F)F)cc5)cc43)cc2)CC1 ZINC000058538203 563207007 /nfs/dbraw/zinc/20/70/07/563207007.db2.gz PWLARPCPJDTUFU-UHFFFAOYSA-N 1 0 462.519 6.416 1 0 JKAFRO O=C(Cc1ccccc1Cl)Nc1cc(Br)ccc1OCC[NH+]1CCCCC1 ZINC000058538312 563207035 /nfs/dbraw/zinc/20/70/35/563207035.db2.gz JEGNCLQOHOHRIQ-UHFFFAOYSA-N 1 0 451.792 5.148 1 0 JKAFRO COc1ccc2c3c1O[C@H]1[C@H]4OC[C@@]4(CCCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000058543200 563207180 /nfs/dbraw/zinc/20/71/80/563207180.db2.gz FAKNQUGPVAFRCJ-SJQTYIEFSA-N 1 0 459.630 5.162 1 0 JKAFRO CCCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3cccc4cccnc43)CC2)cc1-c1ccccc1 ZINC000058574734 563207546 /nfs/dbraw/zinc/20/75/46/563207546.db2.gz WYBQEAZJHLUAGT-UHFFFAOYSA-N 1 0 495.671 5.364 1 0 JKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3-c3ccc(F)cc3)CC2)c1 ZINC000058583510 563207952 /nfs/dbraw/zinc/20/79/52/563207952.db2.gz YGPADRJXSMDGIT-UHFFFAOYSA-N 1 0 485.607 5.805 1 0 JKAFRO CCCn1c(C)c(C(=O)N(C)CCC[NH+]2CCN(c3cccc(C)c3C)CC2)cc1-c1ccccc1 ZINC000058631793 563208516 /nfs/dbraw/zinc/20/85/16/563208516.db2.gz IEWFOUIWCVNBEV-UHFFFAOYSA-N 1 0 486.704 5.775 1 0 JKAFRO O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)N(C[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000059901472 563209370 /nfs/dbraw/zinc/20/93/70/563209370.db2.gz RWAQFBGOVKAWEV-INIZCTEOSA-N 1 0 496.492 5.486 1 0 JKAFRO O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)N(C[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000059901475 563209388 /nfs/dbraw/zinc/20/93/88/563209388.db2.gz RWAQFBGOVKAWEV-MRXNPFEDSA-N 1 0 496.492 5.486 1 0 JKAFRO Cc1cccnc1[C@@H](NC(=O)C1CC[NH+](Cc2cn(C)c3ccccc23)CC1)c1ccc(Cl)cc1 ZINC000061895650 563209698 /nfs/dbraw/zinc/20/96/98/563209698.db2.gz ULEPKGBDHCZVFU-NDEPHWFRSA-N 1 0 487.047 5.653 3 0 JKAFRO Cc1cccnc1[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000061904775 563210238 /nfs/dbraw/zinc/21/02/38/563210238.db2.gz LVUQJXPLJCHPSX-VWLOTQADSA-N 1 0 451.973 5.300 3 0 JKAFRO [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cc(NCc3ccco3)ncn2)n1 ZINC000061905832 563210389 /nfs/dbraw/zinc/21/03/89/563210389.db2.gz LVTZYTQNPZWWBO-MRXNPFEDSA-N 1 0 460.485 5.143 3 0 JKAFRO CCCCNC(=O)[C@]1(C)CCCCC[N@@H+]1Cc1cccc2c(OC)cc(C(=O)OCC)cc12 ZINC000061906567 563210482 /nfs/dbraw/zinc/21/04/82/563210482.db2.gz NXGRKAXQHFEYFD-MHZLTWQESA-N 1 0 454.611 5.076 3 0 JKAFRO COc1ccc([C@@H](NC(=O)C2CC[NH+](CCCOc3ccccc3)CC2)c2cccs2)cc1 ZINC000061907683 563210667 /nfs/dbraw/zinc/21/06/67/563210667.db2.gz SNIZFKVQHGBJTM-AREMUKBSSA-N 1 0 464.631 5.143 3 0 JKAFRO COc1ccc([C@H](NC(=O)C2CC[NH+](CCCOc3ccccc3)CC2)c2cccs2)cc1 ZINC000061907682 563210672 /nfs/dbraw/zinc/21/06/72/563210672.db2.gz SNIZFKVQHGBJTM-SANMLTNESA-N 1 0 464.631 5.143 3 0 JKAFRO Cc1ccccc1[C@H](NC(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccsc1 ZINC000061908029 563210699 /nfs/dbraw/zinc/21/06/99/563210699.db2.gz KVMXCFHMVFEEJZ-SSEXGKCCSA-N 1 0 496.676 6.967 3 0 JKAFRO CC1=N[C@H]2CC[C@H]1OC(=O)CCCCCCC[C@@H]1CC[C@H](OC(=O)CCCCCCC2)[C@@H](C)[NH2+]1 ZINC000100773124 571817666 /nfs/dbraw/zinc/81/76/66/571817666.db2.gz KGQYREIAHMZYSA-KPJVPSPYSA-N 1 0 476.702 6.049 1 0 endogenous,in-man JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccccc3-c3ccccc3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000087666883 581100644 /nfs/dbraw/zinc/10/06/44/581100644.db2.gz PHIKTZJVOVUJJS-JKHUWTJRSA-N 1 0 489.615 7.138 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cc(F)cc4c3OCOC4)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823552 581100669 /nfs/dbraw/zinc/10/06/69/581100669.db2.gz NKWYCFUVLCSSRA-GKNRNULTSA-N 1 0 489.543 5.476 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cc(F)cc4c3OCOC4)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823550 581100671 /nfs/dbraw/zinc/10/06/71/581100671.db2.gz NKWYCFUVLCSSRA-AOYLMNESSA-N 1 0 489.543 5.476 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4ccsc4)c3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000087666888 581100698 /nfs/dbraw/zinc/10/06/98/581100698.db2.gz WRVUFLOXTBTUBR-JJNNOFTBSA-N 1 0 495.644 7.199 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(-c4ccccc4)cc3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823531 581100708 /nfs/dbraw/zinc/10/07/08/581100708.db2.gz ZBMDLEOBRDEIKO-RKBYDRGJSA-N 1 0 489.615 7.138 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccccc3-c3ccccc3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000087666885 581100735 /nfs/dbraw/zinc/10/07/35/581100735.db2.gz PHIKTZJVOVUJJS-RKBYDRGJSA-N 1 0 489.615 7.138 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4ccsc4)c3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000087666886 581100740 /nfs/dbraw/zinc/10/07/40/581100740.db2.gz WRVUFLOXTBTUBR-ADXRPIIGSA-N 1 0 495.644 7.199 1 0 JKAFRO CC(C)C[C@H]1CC[C@]2(C1)C[C@H]([C@]13CC[C@H]([C@H]([NH3+])C1)C(C)(C)O3)C[C@H](Cc1ccc(N)nc1)C2 ZINC000085543263 291565119 /nfs/dbraw/zinc/56/51/19/291565119.db2.gz DUAGNIDWVUJSII-NYFQZSCRSA-N 1 0 453.715 6.130 1 0 biogenic,in-vitro JKAFRO O=Cc1ccc([C@@H](C2CCCC2)[C@H]2C[C@@H]([C@H]3CC[C@@H]4CCC5(CCCC5)[C@@H]4[NH2+]3)[C@@]3(O)CN23)cc1 ZINC000085547782 291603459 /nfs/dbraw/zinc/60/34/59/291603459.db2.gz YDTDWKJRBLBXJD-SMNAVBONSA-N 1 0 462.678 5.257 1 0 biogenic,in-vitro JKAFRO COc1ccc(-c2csc(N3[NH2+]C4=C(C[C@H](c5ccccc5)CC4)[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000016957518 556188543 /nfs/dbraw/zinc/18/85/43/556188543.db2.gz PMPAMSURRMCKHB-HFJQGTKSSA-N 1 0 473.520 5.830 2 0 JKAFRO CC(=O)O[C@@]1(C)CC[C@]2(C)[C@H]3C[C@@H]4[C@@H](CC[C@@H]5[C@H]4C[N@H+]4C[C@@H](C)CC[C@@]4(C)[C@@]5(C)O)[C@@H]3CC(=O)[C@H]2C1 ZINC000070454892 560047929 /nfs/dbraw/zinc/04/79/29/560047929.db2.gz BGDXKHPYMYERKR-KYRVDNOISA-N 1 0 499.736 5.237 1 0 biogenic,in-vitro JKAFRO CCCCC[C@H](CC)CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CC[NH2+]CC2)c1)OC(C)=O ZINC000085628491 560068632 /nfs/dbraw/zinc/06/86/32/560068632.db2.gz LQFPENWRTNECAN-LLZJGCNPSA-N 1 0 477.686 5.525 1 0 biogenic,in-vitro JKAFRO C[NH+]1CCC(c2c[nH]c3ccc(NC(=O)Nc4ccc(-c5ccncc5)cc4Cl)cc32)CC1 ZINC000000582543 562918005 /nfs/dbraw/zinc/91/80/05/562918005.db2.gz FTLOEECOMIRAAA-UHFFFAOYSA-N 1 0 459.981 6.337 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccnc4ccccc34)C[C@@H]2Cc2ccccc2)c1 ZINC000000598949 562918409 /nfs/dbraw/zinc/91/84/09/562918409.db2.gz WQZUOBIIPDZRJP-IZLXSDGUSA-N 1 0 463.625 5.857 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1-c1cccs1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000001486718 562920216 /nfs/dbraw/zinc/92/02/16/562920216.db2.gz LGUWUYHZZBYXCZ-UHFFFAOYSA-N 1 0 463.624 6.431 1 0 JKAFRO O=c1c2cc(F)ccc2nc(CNc2cccc(C[NH+]3CCCC3)c2)n1-c1ccccc1Cl ZINC000001489022 562920304 /nfs/dbraw/zinc/92/03/04/562920304.db2.gz ADZWRNLELCYOIA-UHFFFAOYSA-N 1 0 462.956 5.386 1 0 JKAFRO Cc1cc(C)[n+](CCOc2ccc(/C(=C(/Cl)c3ccccc3)c3ccccc3)cc2)c(C)c1 ZINC000001629227 562921819 /nfs/dbraw/zinc/92/18/19/562921819.db2.gz WHBCAPXGKRCQIH-QVIHXGFCSA-N 1 0 455.021 7.134 1 0 JKAFRO FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Cl)c(Cl)c1)n2C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000001659063 562922913 /nfs/dbraw/zinc/92/29/13/562922913.db2.gz UCPNERUEYRHMHX-HTAPYJJXSA-N 1 0 496.404 7.217 1 0 JKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@H](O)[C@H]2CCCC[NH2+]2)c2cccc(C(F)(F)F)c2n1 ZINC000001728529 562923307 /nfs/dbraw/zinc/92/33/07/562923307.db2.gz XONJCGFSTUUXGQ-NQIIRXRSSA-N 1 0 497.439 5.700 1 0 JKAFRO COc1ccc2c(c1)oc(=O)c(Oc1ccc(Cl)cc1)c2-c1ccc(OCC[NH+](C)C)cc1 ZINC000001861387 562923743 /nfs/dbraw/zinc/92/37/43/562923743.db2.gz BONRLZCXTLXLKF-UHFFFAOYSA-N 1 0 465.933 5.855 1 0 JKAFRO C[C@@H]1SC2(CCCC2)C(=O)N1CCCC[NH+]1CCN(c2csc3cc(F)ccc32)CC1 ZINC000001893705 562924017 /nfs/dbraw/zinc/92/40/17/562924017.db2.gz SYTKLFTVOOOLQR-SFHVURJKSA-N 1 0 461.672 5.177 1 0 JKAFRO Cc1c(COc2ccc(F)c(F)c2F)oc2cccc(OCCC[NH2+]Cc3cccnc3)c12 ZINC000001909570 562924177 /nfs/dbraw/zinc/92/41/77/562924177.db2.gz FKIAZUIISXQFHC-UHFFFAOYSA-N 1 0 456.464 5.691 1 0 in-vitro JKAFRO Fc1cc(F)cc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)c1 ZINC000001910625 562924192 /nfs/dbraw/zinc/92/41/92/562924192.db2.gz HCNUDUBKUTYRBU-UHFFFAOYSA-N 1 0 469.532 5.621 1 0 JKAFRO O[C@@H](C[NH2+]CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2[nH]ccc21 ZINC000002004799 562924436 /nfs/dbraw/zinc/92/44/36/562924436.db2.gz WAUYXPFUCWJECI-OFVILXPXSA-N 1 0 484.518 5.726 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC([C@H](O)c3ccc(Br)cc3)CC2)CC1 ZINC000003594466 562927353 /nfs/dbraw/zinc/92/73/53/562927353.db2.gz IYUGABYSRYTCQT-RUZDIDTESA-N 1 0 499.493 5.506 1 0 JKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](SCC[N+](C)(C)C)CC[C@@]43C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000003799873 562928383 /nfs/dbraw/zinc/92/83/83/562928383.db2.gz ATXDFQQYQWGXMX-WRUTXJEYSA-N 1 0 476.747 5.051 1 0 JKAFRO Cc1cccc2cc(C(=O)NC3CC[NH+](C(C)C)CC3)n(Cc3cc(-c4ccc(Cl)s4)on3)c21 ZINC000003816189 562928921 /nfs/dbraw/zinc/92/89/21/562928921.db2.gz IBXADCJSROAACD-UHFFFAOYSA-N 1 0 497.064 5.971 1 0 JKAFRO C[n+]1cccc(C(=O)OCCCCCCCCn2ccc3cc(OCc4ccccc4)ccc32)c1 ZINC000003816589 562928955 /nfs/dbraw/zinc/92/89/55/562928955.db2.gz XUGKTDPAEWECFH-UHFFFAOYSA-N 1 0 471.621 6.242 1 0 JKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC1)=CC2 ZINC000003817396 562929070 /nfs/dbraw/zinc/92/90/70/562929070.db2.gz YBMDKMCHOKBOLB-YWZLYKJASA-N 1 0 489.504 6.303 1 0 JKAFRO C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2cccc(O)c2)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000003819175 562929115 /nfs/dbraw/zinc/92/91/15/562929115.db2.gz ZBDHVKGQLOBZRC-GSGOWXKQSA-N 1 0 477.626 6.174 1 0 JKAFRO C[C@H]([NH3+])C(=O)N1CCCC[C@H]1P(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000003823280 562929291 /nfs/dbraw/zinc/92/92/91/562929291.db2.gz KYNAMWRMUBCFRC-IFXJQAMLSA-N 1 0 457.294 5.330 1 0 JKAFRO NC(=[NH2+])c1cccc(Cn2c(C(=O)Nc3cc(Cl)cc(Cl)c3)cc3c2cccc3O)c1 ZINC000003831868 562929449 /nfs/dbraw/zinc/92/94/49/562929449.db2.gz FPRKQCJSMUAPDV-UHFFFAOYSA-N 1 0 453.329 5.238 1 0 JKAFRO O[C@]12CCCCCC[C@@H]3CC[N@H+]4CCC[C@H](CCCCCC[C@@H]5CCN(CCC1)[C@H]2O5)[C@@H]4O3 ZINC000003875304 562929690 /nfs/dbraw/zinc/92/96/90/562929690.db2.gz DAHFKODECRYGAQ-WRRPKXNSSA-N 1 0 462.719 5.450 1 0 JKAFRO Cc1cc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)ccc1F ZINC000003916952 562929805 /nfs/dbraw/zinc/92/98/05/562929805.db2.gz BEWKHHCHGVKALU-HHHXNRCGSA-N 1 0 494.676 5.808 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccs1)S(=O)(=O)c1ccccc1 ZINC000003916955 562929819 /nfs/dbraw/zinc/92/98/19/562929819.db2.gz BWMWEXXFAXIRIO-XMMPIXPASA-N 1 0 468.688 5.422 1 0 JKAFRO Brc1cc(Br)c2c(c1)[C@H]([NH2+]CCCNc1nc3ccccc3[nH]1)CCN2 ZINC000003927457 562930037 /nfs/dbraw/zinc/93/00/37/562930037.db2.gz AMXNANPJXQHROJ-OAHLLOKOSA-N 1 0 479.220 5.036 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC000003928068 562930045 /nfs/dbraw/zinc/93/00/45/562930045.db2.gz KSCIAWWFBYAELA-HHHXNRCGSA-N 1 0 475.076 6.787 1 0 JKAFRO C[C@@H]1c2c(F)c(O)ccc2O[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000003948747 562930632 /nfs/dbraw/zinc/93/06/32/562930632.db2.gz KOYRLVBQHJNLQX-IFVHXUSFSA-N 1 0 477.576 6.123 1 0 in-vitro JKAFRO C[C@@H]1CC[N@H+](CCOc2ccc([C@@H]3Oc4ccc(O)c(F)c4[C@@H](C)[C@@H]3c3ccc(O)cc3)cc2)C1 ZINC000003948748 562930663 /nfs/dbraw/zinc/93/06/63/562930663.db2.gz KREZVKKCLKOMEF-IWXXCEQUSA-N 1 0 477.576 5.979 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@@H](c2ccc(OCC[NH+]3CCCC3)cc2)Oc2cc(O)ccc2-1 ZINC000003951501 562930742 /nfs/dbraw/zinc/93/07/42/562930742.db2.gz OJUGMOYQHVGACK-AREMUKBSSA-N 1 0 459.567 5.936 1 0 JKAFRO CC(=[NH2+])N1CCC(CNC(=O)c2ccc(C)c(OCCc3ccc(Cl)cc3Cl)c2)CC1 ZINC000003976681 562931349 /nfs/dbraw/zinc/93/13/49/562931349.db2.gz GJLYGIJZQHYVIB-UHFFFAOYSA-N 1 0 462.421 5.362 1 0 JKAFRO COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000003987597 562931623 /nfs/dbraw/zinc/93/16/23/562931623.db2.gz WDLIINQFJCWSHG-UHFFFAOYSA-N 1 0 467.997 5.111 1 0 JKAFRO C[C@@H]1CN(c2ccc3occ(C(=O)Nc4ccc(-c5ccncc5)c(Cl)c4)c3c2)C[C@H](C)[N@H+]1C ZINC000003988233 562931654 /nfs/dbraw/zinc/93/16/54/562931654.db2.gz ASTBAAJNISQQSR-HDICACEKSA-N 1 0 474.992 5.929 1 0 JKAFRO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)N1c2ccc(O)cc2CC[C@@H]1c1ccc(O)cc1 ZINC000003990400 562931678 /nfs/dbraw/zinc/93/16/78/562931678.db2.gz KUBYSGIGKNDGJE-HHHXNRCGSA-N 1 0 472.585 5.297 1 0 JKAFRO C[C@H](Nc1nccc(-c2[nH]c(C3CC[NH2+]CC3)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000004617898 562933539 /nfs/dbraw/zinc/93/35/39/562933539.db2.gz PTPMBQNCXYRTGN-KRWDZBQOSA-N 1 0 492.549 6.193 1 0 JKAFRO COc1ccc(OC)c2c([C@H](O)C[NH2+]C34CC5CC(CC(C5)C3)C4)cc(-c3ccc(Cl)cc3)nc12 ZINC000005105939 562933870 /nfs/dbraw/zinc/93/38/70/562933870.db2.gz DMDZBVDUVBFCKH-ZYVLQRSRSA-N 1 0 493.047 6.164 1 0 JKAFRO COc1ccc2cc(C[NH2+]CCCCCCNC(=O)Nc3cccc4ccccc43)ccc2c1 ZINC000005922886 562935767 /nfs/dbraw/zinc/93/57/67/562935767.db2.gz OOSVNGFGTLOPMG-UHFFFAOYSA-N 1 0 455.602 6.473 1 0 JKAFRO CC(=O)O[C@@H]1[C@H](O[C@@H]2CCCCC2(c2ccccc2)c2ccccc2)O[N+](=O)CC12CCCCC2 ZINC000006001983 562936008 /nfs/dbraw/zinc/93/60/08/562936008.db2.gz LMFHUGSYVSOARR-ZONZVBGPSA-N 1 0 477.601 5.667 1 0 JKAFRO CC[NH+](CC)CCC[C@H](C)n1c(-c2ccccc2)nc2c1nc(C)nc2NCc1ccccc1 ZINC000008017297 562938492 /nfs/dbraw/zinc/93/84/92/562938492.db2.gz FEDXJSOMVFWDKZ-NRFANRHFSA-N 1 0 456.638 6.097 1 0 JKAFRO O[C@@H](C[NH2+]CCc1c[nH]c2ccccc12)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000008396969 562939028 /nfs/dbraw/zinc/93/90/28/562939028.db2.gz BZBBUEQNTMIIJL-LPHOPBHVSA-N 1 0 452.385 5.942 3 0 JKAFRO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000008597862 562944800 /nfs/dbraw/zinc/94/48/00/562944800.db2.gz XZQQJDIBXKJVJF-NRFANRHFSA-N 1 0 497.014 5.003 1 0 JKAFRO CC[NH+](CC)CCNC(=O)Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2 ZINC000008610383 562947474 /nfs/dbraw/zinc/94/74/74/562947474.db2.gz BWCSBZZQPYAWEW-UHFFFAOYSA-N 1 0 474.630 5.462 1 0 JKAFRO COc1ccc(C[NH2+]C2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)CC2)cc1OC ZINC000012456853 562960047 /nfs/dbraw/zinc/96/00/47/562960047.db2.gz UVXZEDMTBRPOPY-UHFFFAOYSA-N 1 0 480.008 5.368 1 0 JKAFRO CCCC[NH+](CCCC)CCCNC(=O)[C@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1 ZINC000012727104 562960874 /nfs/dbraw/zinc/96/08/74/562960874.db2.gz WCUHHEKXISTQOY-HXUWFJFHSA-N 1 0 495.508 5.626 3 0 JKAFRO CCCC[NH+](CCCC)CCCNC(=O)[C@@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1 ZINC000012727102 562960892 /nfs/dbraw/zinc/96/08/92/562960892.db2.gz WCUHHEKXISTQOY-FQEVSTJZSA-N 1 0 495.508 5.626 3 0 JKAFRO COc1cc(OC)cc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)c1 ZINC000013437564 562962515 /nfs/dbraw/zinc/96/25/15/562962515.db2.gz VUFIJMCVOSKJJY-UHFFFAOYSA-N 1 0 493.604 5.360 1 0 JKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4nccc5ccccc54)CC3)CC2)cc1 ZINC000013440422 562962955 /nfs/dbraw/zinc/96/29/55/562962955.db2.gz OPYWULFXLGGQLW-UHFFFAOYSA-N 1 0 487.713 6.295 1 0 JKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)cc1 ZINC000013440392 562962996 /nfs/dbraw/zinc/96/29/96/562962996.db2.gz BZKDMFLWGMQKIL-UHFFFAOYSA-N 1 0 471.110 6.400 1 0 JKAFRO C[N@@H+]1[C@@H]2CC[C@H]1[C@H](C(=O)OCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000013440896 562963126 /nfs/dbraw/zinc/96/31/26/562963126.db2.gz DCRIIMMZVJPZAH-WKAQUBQDSA-N 1 0 477.551 5.666 1 0 JKAFRO COc1cccc(NC(=O)N2CCC[C@H](CC[NH+]3CCC(Cc4ccc(F)cc4)CC3)C2)c1 ZINC000013443605 562963853 /nfs/dbraw/zinc/96/38/53/562963853.db2.gz OXFKSXBVOROLRR-HSZRJFAPSA-N 1 0 453.602 5.423 1 0 JKAFRO Cc1ccc(CN2CN(c3ccccc3)C3(CC[NH+](CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000013448542 562964455 /nfs/dbraw/zinc/96/44/55/562964455.db2.gz NUEVBZLYKCHOPY-UHFFFAOYSA-N 1 0 499.630 5.438 1 0 JKAFRO Cc1ccccc1CN1CN(c2ccccc2)C2(CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)C1=O ZINC000013448539 562964472 /nfs/dbraw/zinc/96/44/72/562964472.db2.gz MRXPMPSDRAGQAV-UHFFFAOYSA-N 1 0 499.630 5.438 1 0 JKAFRO COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CC[NH+](C(C)C)C(C)C)C(=O)[C@@H]2C)cc1 ZINC000013450818 562964755 /nfs/dbraw/zinc/96/47/55/562964755.db2.gz YIKZBZPFXHXNOE-DENIHFKCSA-N 1 0 476.583 6.142 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1 ZINC000013451425 562964762 /nfs/dbraw/zinc/96/47/62/562964762.db2.gz OJPHYJUOPGCSOT-UHFFFAOYSA-N 1 0 484.706 6.567 1 0 JKAFRO O=C1NCCN1CCC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 ZINC000013452489 562964828 /nfs/dbraw/zinc/96/48/28/562964828.db2.gz CXAQDXCWRCDSDO-UHFFFAOYSA-N 1 0 454.977 5.018 1 0 JKAFRO Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2cccc(C(=O)Nc3ccccc3)c2)c1F ZINC000013473995 562966631 /nfs/dbraw/zinc/96/66/31/562966631.db2.gz JRPZODRBVTVHJE-UHFFFAOYSA-N 1 0 474.467 5.789 1 0 JKAFRO O=C(Nc1cc(F)ccc1F)Nc1ccccc1[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013475759 562967038 /nfs/dbraw/zinc/96/70/38/562967038.db2.gz XINIMAZPUMKJHH-AREMUKBSSA-N 1 0 465.544 5.597 1 0 JKAFRO O=C(Nc1ccccc1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)Nc1cc(F)ccc1F ZINC000013475783 562967063 /nfs/dbraw/zinc/96/70/63/562967063.db2.gz WCBXVLUVGSMGTJ-UHFFFAOYSA-N 1 0 471.935 5.746 1 0 JKAFRO CC(=O)c1cccc(NC(=O)Nc2ccccc2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475799 562967074 /nfs/dbraw/zinc/96/70/74/562967074.db2.gz GFGVSPYXQBYZOT-UHFFFAOYSA-N 1 0 459.565 6.127 1 0 JKAFRO COc1cccc(NC(=O)Nc2ccccc2[C@H](O)C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475804 562967079 /nfs/dbraw/zinc/96/70/79/562967079.db2.gz MTVAGODSWYYKMQ-HHHXNRCGSA-N 1 0 477.580 5.466 1 0 JKAFRO Cc1ccc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)cc1F ZINC000013479379 562967472 /nfs/dbraw/zinc/96/74/72/562967472.db2.gz NLMHENJRNZNGGT-HHHXNRCGSA-N 1 0 494.676 5.808 1 0 JKAFRO CC(C)(C)c1cc(CC[NH2+]Cc2cccc(NC(=N)c3cccs3)c2)cc(C(C)(C)C)c1O ZINC000013487052 562967598 /nfs/dbraw/zinc/96/75/98/562967598.db2.gz AXVXSNLVCBYXJM-UHFFFAOYSA-N 1 0 463.691 6.818 1 0 JKAFRO CC(C)(C)c1cc(CCC[NH2+]Cc2cccc(NC(=N)c3cccs3)c2)cc(C(C)(C)C)c1O ZINC000013487053 562967603 /nfs/dbraw/zinc/96/76/03/562967603.db2.gz YNXPHJZTYZMLFR-UHFFFAOYSA-N 1 0 477.718 7.209 1 0 JKAFRO Oc1ccc(C2=Cc3cc(O)ccc3[C@]23Cc2ccc(OCC[NH+]4CCCCC4)cc2C3)cc1 ZINC000013487450 562967790 /nfs/dbraw/zinc/96/77/90/562967790.db2.gz DJJCBDOVULVMNS-SSEXGKCCSA-N 1 0 453.582 5.553 1 0 JKAFRO Oc1ccc(C2=Cc3cc(O)ccc3[C@@]23Cc2ccc(OCC[NH+]4CCCCC4)cc2C3)cc1 ZINC000013487449 562967799 /nfs/dbraw/zinc/96/77/99/562967799.db2.gz DJJCBDOVULVMNS-PMERELPUSA-N 1 0 453.582 5.553 1 0 JKAFRO CCOc1c(Br)cc(SC)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487775 562967901 /nfs/dbraw/zinc/96/79/01/562967901.db2.gz GGGQCNIYJNPTAL-UHFFFAOYSA-N 1 0 476.440 5.415 1 0 JKAFRO COc1ccc2c(C)c(C3CC[NH+](C[C@H](O)COc4cccc5[nH]ccc54)CC3)sc2c1 ZINC000013490088 562969144 /nfs/dbraw/zinc/96/91/44/562969144.db2.gz ISNFWPAGLJOWPI-IBGZPJMESA-N 1 0 450.604 5.319 1 0 JKAFRO CC[NH2+]CC=Cc1[nH]c(=O)c2c3c(ccc2c1C)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000013494063 562970368 /nfs/dbraw/zinc/97/03/68/562970368.db2.gz INTMKTCZPSHRQO-RMKNXTFCSA-N 1 0 456.377 5.809 1 0 JKAFRO COc1ccc(C[NH+]2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013494206 562970460 /nfs/dbraw/zinc/97/04/60/562970460.db2.gz HUVYJGQARDGDMN-UHFFFAOYSA-N 1 0 451.557 6.382 1 0 JKAFRO Fc1ccc(C(OCCC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000013494211 562970477 /nfs/dbraw/zinc/97/04/77/562970477.db2.gz QJEBAPXHCKKADR-UHFFFAOYSA-N 1 0 489.528 7.392 1 0 JKAFRO C[C@@]1(c2ccc(OCC[NH+]3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(O)c1 ZINC000013523361 562971111 /nfs/dbraw/zinc/97/11/11/562971111.db2.gz UWLIBOKLGCNWFW-GDLZYMKVSA-N 1 0 458.602 5.289 1 0 JKAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(C/C=C/c1ccccc1)Cc1c2ccccc2[nH]c1[C@]3(C)O5 ZINC000013524137 562971264 /nfs/dbraw/zinc/97/12/64/562971264.db2.gz VHAISVIZOZORLQ-LCJKOIOYSA-N 1 0 488.631 6.325 1 0 JKAFRO CN1c2ccc(Cl)cc2C(c2ccccc2)=[NH+]C[C@H]1CCNC(=O)c1ccc(Cl)cc1 ZINC000013525999 562971438 /nfs/dbraw/zinc/97/14/38/562971438.db2.gz JOQGMEWJGYYNAI-OAQYLSRUSA-N 1 0 452.385 5.469 1 0 JKAFRO Oc1ccc2c(c1)CC[C@]21C=C(c2ccc(OCC[NH+]3CCCCC3)cc2)c2cc(O)ccc21 ZINC000013526695 562971496 /nfs/dbraw/zinc/97/14/96/562971496.db2.gz MHJYBRXRPIGQJQ-PMERELPUSA-N 1 0 453.582 5.640 1 0 JKAFRO COc1ccccc1N1CC[NH+](Cc2ccc(CNC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000013526150 562971537 /nfs/dbraw/zinc/97/15/37/562971537.db2.gz XSMSWEUOSDXUHZ-UHFFFAOYSA-N 1 0 465.597 5.101 1 0 JKAFRO Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N@@H+](C)C4CCOCC4)cc2)CCC3)cc1 ZINC000013527118 562971699 /nfs/dbraw/zinc/97/16/99/562971699.db2.gz XMMOSVPLCMKONF-UHFFFAOYSA-N 1 0 480.652 6.631 1 0 JKAFRO CC(C)[NH+](C[C@H](O)COc1ccc(OCc2ccccc2)cc1C(=O)CCc1ccccc1)C(C)C ZINC000013529257 562972049 /nfs/dbraw/zinc/97/20/49/562972049.db2.gz UTJYXDBWBWOMTF-MHZLTWQESA-N 1 0 489.656 5.940 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CC[C@@H](Oc1ccccc1C(F)(F)F)c1ccccc1)CC2 ZINC000013530640 562972200 /nfs/dbraw/zinc/97/22/00/562972200.db2.gz PHROZENPFSAKEV-HSZRJFAPSA-N 1 0 471.519 6.291 1 0 JKAFRO COc1ccc(O[C@H](CC[NH+]2CCN(c3nsc4ccccc43)CC2)c2ccccc2)cc1 ZINC000013530546 562972221 /nfs/dbraw/zinc/97/22/21/562972221.db2.gz YBIMOWBVWDOCHJ-RUZDIDTESA-N 1 0 459.615 5.637 1 0 JKAFRO C[C@H]1C[C@H](c2cc3c(cccc3Cl)s2)CC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535701 562972703 /nfs/dbraw/zinc/97/27/03/562972703.db2.gz KHDWPPOQGTVCHK-KSZLIROESA-N 1 0 455.023 6.044 1 0 JKAFRO C[NH2+]Cc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)nc(C)n1 ZINC000013536656 562972757 /nfs/dbraw/zinc/97/27/57/562972757.db2.gz XSIHGLBVVSVKBH-UHFFFAOYSA-N 1 0 452.971 5.072 1 0 JKAFRO CCCCN(C[C@@H]1CCC[N@@H+]1C)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553439 562973305 /nfs/dbraw/zinc/97/33/05/562973305.db2.gz DAVLJXKSTZMNGU-SFHVURJKSA-N 1 0 460.453 5.951 1 0 JKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013555341 562973705 /nfs/dbraw/zinc/97/37/05/562973705.db2.gz HEUAKNQPRZZHJT-ORIKXAIESA-N 1 0 450.410 5.444 1 0 JKAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2Cc1cc(-c2ccc(Cl)c(Cl)c2)cnc1[C@@H]3O5 ZINC000013559701 562975064 /nfs/dbraw/zinc/97/50/64/562975064.db2.gz UYVJZQXUZSFCBU-OVNNNXKZSA-N 1 0 465.380 5.565 1 0 JKAFRO Cc1ncnc(C)c1C(=O)N1CCC([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560305 562975245 /nfs/dbraw/zinc/97/52/45/562975245.db2.gz QQVCTYISHLKPPR-UHFFFAOYSA-N 1 0 469.633 5.001 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000013560282 562975272 /nfs/dbraw/zinc/97/52/72/562975272.db2.gz ZWHIPXXJCJBHBG-UHFFFAOYSA-N 1 0 473.583 5.893 1 0 JKAFRO Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@H+]3CCOCc2cccs2)c2ccc(F)cc2)cc1 ZINC000013580493 562975634 /nfs/dbraw/zinc/97/56/34/562975634.db2.gz FUXJAOQVDVQZMM-XMGLRAKGSA-N 1 0 469.597 6.345 1 0 JKAFRO Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCOc2ccccc2)c2ccc(F)cc2)cc1 ZINC000013580498 562975653 /nfs/dbraw/zinc/97/56/53/562975653.db2.gz QMNLHOYOYRYELH-XFAILSGYSA-N 1 0 463.568 6.535 1 0 JKAFRO COc1cccc2sc([C@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]ccc54)C(C)(C)C3)cc21 ZINC000013587206 562977035 /nfs/dbraw/zinc/97/70/35/562977035.db2.gz JELQHHGSVUJHDC-OALUTQOASA-N 1 0 464.631 5.789 1 0 JKAFRO Cc1cc(OCC[NH+]2CCCCC2)ccc1C1=C[C@@]2(CCc3cc(O)ccc32)c2ccc(O)cc21 ZINC000013587748 562977320 /nfs/dbraw/zinc/97/73/20/562977320.db2.gz BGQDIXOPAMBHRI-WJOKGBTCSA-N 1 0 467.609 5.949 1 0 JKAFRO Cc1cc(C2=C[C@]3(CCc4cc(O)ccc43)c3ccc(O)cc32)ccc1OCC[NH+]1CCCCC1 ZINC000013587747 562977346 /nfs/dbraw/zinc/97/73/46/562977346.db2.gz AEGJDPQYCCTKOJ-HKBQPEDESA-N 1 0 467.609 5.949 1 0 JKAFRO C[NH+](C)CCc1ccc(NC(=O)c2cccnc2[S@](=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000013605249 562978688 /nfs/dbraw/zinc/97/86/88/562978688.db2.gz FJJGXUHRMNTSBX-DHUJRADRSA-N 1 0 483.637 5.335 1 0 JKAFRO C[NH+]1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4cccc5c(Cl)cccc54)cc32)CC1 ZINC000013611773 562979507 /nfs/dbraw/zinc/97/95/07/562979507.db2.gz FOZBVYAUADUFLE-UHFFFAOYSA-N 1 0 453.995 5.585 1 0 JKAFRO O=C(Nc1ccc2c(c1)CCN2)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613328 562979813 /nfs/dbraw/zinc/97/98/13/562979813.db2.gz GIEDRDQDSGAHQW-JEYPMZLKSA-N 1 0 464.629 5.429 1 0 JKAFRO COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000013613262 562979823 /nfs/dbraw/zinc/97/98/23/562979823.db2.gz OEKONQSOWUDFGV-AOJNWGRGSA-N 1 0 453.602 5.469 1 0 JKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(OCCc2ccc(Cl)cc2)c1 ZINC000013643337 562980350 /nfs/dbraw/zinc/98/03/50/562980350.db2.gz SPSKAYMQPXKPMJ-UHFFFAOYSA-N 1 0 467.972 5.142 1 0 JKAFRO Cc1ccc(CCOc2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)ccc2Cl)cc1 ZINC000013643344 562980372 /nfs/dbraw/zinc/98/03/72/562980372.db2.gz MYMXDIMTTAYBBP-UHFFFAOYSA-N 1 0 464.009 5.311 1 0 JKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[NH+](CC)CC)c1ccc(OC)cc1 ZINC000013661222 562982258 /nfs/dbraw/zinc/98/22/58/562982258.db2.gz BNUZPBVFEWDFDK-XMMPIXPASA-N 1 0 495.660 6.415 3 0 JKAFRO CCC1=C(c2ccc(O)cc2)[C@H](C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c2cc(O)ccc21 ZINC000013673465 562982865 /nfs/dbraw/zinc/98/28/65/562982865.db2.gz IQOBSXIQYZEGIX-HHHXNRCGSA-N 1 0 458.558 5.095 1 0 JKAFRO COc1ccc([C@H](CCC[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 ZINC000013674304 562983030 /nfs/dbraw/zinc/98/30/30/562983030.db2.gz DTTPNSUBWNUHRU-HHHXNRCGSA-N 1 0 450.022 6.244 1 0 JKAFRO COc1ccc([C@@H](CCC[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 ZINC000013674302 562983061 /nfs/dbraw/zinc/98/30/61/562983061.db2.gz DTTPNSUBWNUHRU-MHZLTWQESA-N 1 0 450.022 6.244 1 0 JKAFRO O=C(CCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)NCCc1c[nH]c2ccccc12 ZINC000013679406 562984001 /nfs/dbraw/zinc/98/40/01/562984001.db2.gz XHISNFCRWZVULB-UHFFFAOYSA-N 1 0 468.645 6.316 1 0 JKAFRO C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCC(Cn3cncn3)(C3CCCCC3)CC2)[C@H](c2ccc(Cl)cc2)C1 ZINC000013680264 562984070 /nfs/dbraw/zinc/98/40/70/562984070.db2.gz VWUNGIMUSCQDHS-UODIDJSMSA-N 1 0 498.115 5.245 1 0 JKAFRO C[C@H](Cc1ccccc1)C[NH+]1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013683655 562984245 /nfs/dbraw/zinc/98/42/45/562984245.db2.gz JGDHAGIXYKLIBE-HSZRJFAPSA-N 1 0 463.612 7.052 1 0 JKAFRO Oc1ccc2c(c1)OCC1=C2[C@H](c2ccc(OCC[NH+]3CCCC3)cc2)Oc2cc(O)ccc21 ZINC000013687329 562984525 /nfs/dbraw/zinc/98/45/25/562984525.db2.gz KZCYDDSBBGYLPQ-NDEPHWFRSA-N 1 0 457.526 5.009 1 0 JKAFRO CC(C)N1CCN(CC[NH+]2CCC(c3cn(-c4ccccc4F)c4cc(Cl)ccc34)CC2)C1=O ZINC000013731199 562985209 /nfs/dbraw/zinc/98/52/09/562985209.db2.gz PHKYJSDVXODLTC-UHFFFAOYSA-N 1 0 483.031 5.748 1 0 JKAFRO COc1ccc(C[NH2+][C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)Cc2ccccc2)cc1 ZINC000013737306 562986091 /nfs/dbraw/zinc/98/60/91/562986091.db2.gz XUBAXMPEYOGPIH-VWLOTQADSA-N 1 0 473.661 6.465 1 0 JKAFRO COc1ccc(C[NH2+][C@@H](CCSC)CNC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000013737302 562986094 /nfs/dbraw/zinc/98/60/94/562986094.db2.gz OYXPEMWTOBDRGC-NRFANRHFSA-N 1 0 457.684 5.975 1 0 JKAFRO COc1ccc(C[NH2+][C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)cc1 ZINC000013737270 562986102 /nfs/dbraw/zinc/98/61/02/562986102.db2.gz DYORENMOYLYMBP-HHHXNRCGSA-N 1 0 459.634 6.595 1 0 JKAFRO O=C(CCC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1)CCC2 ZINC000013737855 562986316 /nfs/dbraw/zinc/98/63/16/562986316.db2.gz KWRMPTCABKBHFI-UHFFFAOYSA-N 1 0 452.642 6.515 1 0 JKAFRO Cc1ccnc(N2CC[NH+](CCc3c4cccc5c4n(c3-c3ccc(F)cc3)CCC5)CC2)c1 ZINC000013740415 562986782 /nfs/dbraw/zinc/98/67/82/562986782.db2.gz USKXYHKXCCIZPH-UHFFFAOYSA-N 1 0 454.593 5.462 1 0 JKAFRO Cc1cc(OCCC[NH+](C)C)ccc1NC(=O)Cc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013741299 562987005 /nfs/dbraw/zinc/98/70/05/562987005.db2.gz GZITWFCQTWWKTE-UHFFFAOYSA-N 1 0 464.993 5.391 1 0 JKAFRO Cc1ccc2c(c1)COC21CC[NH+](CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)CC1 ZINC000013741545 562987077 /nfs/dbraw/zinc/98/70/77/562987077.db2.gz DCLIJJMBPKSDOC-UHFFFAOYSA-N 1 0 468.616 6.922 1 0 JKAFRO Clc1ccc(C(OCCC2CC[NH+](CCc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000013746582 562988161 /nfs/dbraw/zinc/98/81/61/562988161.db2.gz DBPUPSNNQDIPKZ-UHFFFAOYSA-N 1 0 468.468 7.444 1 0 JKAFRO CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 ZINC000013757986 562988902 /nfs/dbraw/zinc/98/89/02/562988902.db2.gz UHCDDZDBVINKTK-AREMUKBSSA-N 1 0 455.602 6.071 1 0 JKAFRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c2ccccc21 ZINC000013758033 562988911 /nfs/dbraw/zinc/98/89/11/562988911.db2.gz DTXYGININMLAPB-HSZRJFAPSA-N 1 0 482.411 6.289 1 0 JKAFRO O=c1[nH]c(SCCC[NH+]2CCN(c3cccc4ccccc43)CC2)nc2sc3c(c21)CCCC3 ZINC000013761023 562989748 /nfs/dbraw/zinc/98/97/48/562989748.db2.gz PXRSOMRPEYXTDA-UHFFFAOYSA-N 1 0 490.698 5.321 1 0 JKAFRO Cn1c2ccccc2c(CCN2CCC([NH+]3CCCCC3)CC2)c1COc1ccc(Cl)cc1 ZINC000013766334 562990651 /nfs/dbraw/zinc/99/06/51/562990651.db2.gz PHVWIWDLCSPLSG-UHFFFAOYSA-N 1 0 466.069 5.904 1 0 JKAFRO COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1NCC[NH+](C)C ZINC000013779292 562991395 /nfs/dbraw/zinc/99/13/95/562991395.db2.gz BAQFINVRIZNAMC-UHFFFAOYSA-N 1 0 485.588 5.255 1 0 JKAFRO [NH3+][C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 ZINC000013781124 562992025 /nfs/dbraw/zinc/99/20/25/562992025.db2.gz VSYVBQKQDBKTBD-OAQYLSRUSA-N 1 0 453.426 6.400 1 0 JKAFRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(C[NH2+]Cc2cccc(-c3cccs3)n2)CC1 ZINC000013797251 562993295 /nfs/dbraw/zinc/99/32/95/562993295.db2.gz ADGCARVTPQCUGH-UHFFFAOYSA-N 1 0 478.420 5.851 1 0 JKAFRO CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1 ZINC000013801283 562994136 /nfs/dbraw/zinc/99/41/36/562994136.db2.gz NXHIQZAIOWTQSF-UHFFFAOYSA-N 1 0 474.668 5.023 1 0 JKAFRO CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)=C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013803500 562994763 /nfs/dbraw/zinc/99/47/63/562994763.db2.gz YRXLGWHAAWAHAL-UHFFFAOYSA-N 1 0 468.641 6.275 1 0 JKAFRO Clc1ccc([C@@H]2[C@H]3C[N@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000013812928 562995828 /nfs/dbraw/zinc/99/58/28/562995828.db2.gz HTBTVSPEPVRINY-GZAFRIGSSA-N 1 0 483.099 7.804 3 0 JKAFRO Clc1ccc([C@H]2[C@H]3C[N@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000013812970 562995830 /nfs/dbraw/zinc/99/58/30/562995830.db2.gz IJZPIUWYDJXKGL-AQIUQABFSA-N 1 0 478.039 6.819 3 0 JKAFRO O=C(c1oc2cc(O)ccc2c1-c1cccc2ccccc21)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013818657 562997020 /nfs/dbraw/zinc/99/70/20/562997020.db2.gz ICNFVDUPXFAYEH-UHFFFAOYSA-N 1 0 491.587 7.054 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)N[C@@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820115 562997364 /nfs/dbraw/zinc/99/73/64/562997364.db2.gz BHRXKDVRJKFVJL-YBZFOXLFSA-N 1 0 481.681 5.498 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000013820507 562997367 /nfs/dbraw/zinc/99/73/67/562997367.db2.gz OUBBPFMHCCWLFX-MUUNZHRXSA-N 1 0 457.643 5.100 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2Sc2ccccc21 ZINC000013820500 562997393 /nfs/dbraw/zinc/99/73/93/562997393.db2.gz MMIJPDIINZPYQE-UHFFFAOYSA-N 1 0 461.606 5.098 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@@H](c2ccc(F)cc2)C2CCCCC2)CC1 ZINC000013824912 562998234 /nfs/dbraw/zinc/99/82/34/562998234.db2.gz VRQQRENDQSWBNX-SSEXGKCCSA-N 1 0 481.652 6.882 1 0 JKAFRO CCc1ccc(OCCC[NH+]2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000013824947 562998242 /nfs/dbraw/zinc/99/82/42/562998242.db2.gz GXCBCTCDJXWCEB-UHFFFAOYSA-N 1 0 479.611 6.849 1 0 JKAFRO COc1ccc2[nH]cc(C3=CC[N@H+](CCCN4c5cccc6cccc(c56)S4(=O)=O)CC3)c2c1 ZINC000013826817 562998508 /nfs/dbraw/zinc/99/85/08/562998508.db2.gz FNHGKJPJDDUZIM-UHFFFAOYSA-N 1 0 473.598 5.018 1 0 JKAFRO O=S1(=O)c2cccc3cccc(c23)N1CCC[N@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000013826825 562998523 /nfs/dbraw/zinc/99/85/23/562998523.db2.gz BWNZLYUMFNUWCY-UHFFFAOYSA-N 1 0 461.562 5.148 1 0 JKAFRO CC(C)C[N@H+]1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000013830033 562999196 /nfs/dbraw/zinc/99/91/96/562999196.db2.gz IEABHKNILNTSFJ-QFIPXVFZSA-N 1 0 461.469 5.473 1 0 JKAFRO CC[NH+](CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c(C)cc(=O)oc21 ZINC000013830818 562999304 /nfs/dbraw/zinc/99/93/04/562999304.db2.gz LBDFEYHNTRGKJW-NRFANRHFSA-N 1 0 452.595 5.048 1 0 JKAFRO CC(=O)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834326 563000989 /nfs/dbraw/zinc/00/09/89/563000989.db2.gz MLIYXODZYMNUGH-UHFFFAOYSA-N 1 0 499.632 6.572 1 0 JKAFRO Cc1ccccc1-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834304 563000998 /nfs/dbraw/zinc/00/09/98/563000998.db2.gz GTPUHNJIMQQEMY-UHFFFAOYSA-N 1 0 471.622 6.678 1 0 JKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@H](c2cccc(C(N)=S)c2)C1=O ZINC000013834500 563001077 /nfs/dbraw/zinc/00/10/77/563001077.db2.gz IQZUQYWONQLPBN-OHUGHZGNSA-N 1 0 465.663 5.221 1 0 JKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@@H](c2ccc(C(N)=S)cc2)C1=O ZINC000013834495 563001079 /nfs/dbraw/zinc/00/10/79/563001079.db2.gz SDOFBTJUFAJAEL-DFIYOIEZSA-N 1 0 465.663 5.221 1 0 JKAFRO COc1ccc([C@@H]2Oc3ccccc3N(CCCCC[N@H+]3[C@H](C)CCC[C@@H]3C)C2=O)cc1OC ZINC000013834522 563001093 /nfs/dbraw/zinc/00/10/93/563001093.db2.gz PSVFYAULYCIMIN-ISCCLHIJSA-N 1 0 466.622 5.604 1 0 JKAFRO Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(C[NH3+])CC3)o1)C(C)(C)CCC2(C)C ZINC000013860616 563002219 /nfs/dbraw/zinc/00/22/19/563002219.db2.gz CARSFLDWCSMNOK-UHFFFAOYSA-N 1 0 450.667 6.023 1 0 JKAFRO Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@@H]3CCC[C@H](C[NH3+])C3)o1)C(C)(C)CCC2(C)C ZINC000013860619 563002225 /nfs/dbraw/zinc/00/22/25/563002225.db2.gz ZULJJCAYLALRFV-LEWJYISDSA-N 1 0 450.667 6.023 1 0 JKAFRO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccsc2)CC1 ZINC000013861754 563002572 /nfs/dbraw/zinc/00/25/72/563002572.db2.gz IIWGHTTYGJACPE-HSZRJFAPSA-N 1 0 476.564 6.108 1 0 JKAFRO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1 ZINC000013861696 563002624 /nfs/dbraw/zinc/00/26/24/563002624.db2.gz DKAXYCXGSBKEAV-RUZDIDTESA-N 1 0 470.535 6.046 1 0 JKAFRO Clc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000013861984 563002702 /nfs/dbraw/zinc/00/27/02/563002702.db2.gz FLFNPNBTKIRBQV-IQCGEYIDSA-N 1 0 452.425 7.295 1 0 JKAFRO COc1c(C(=O)NC2CC[NH+](C3CCCCCC3)CC2)cc(Br)c2ccccc21 ZINC000013862859 563003055 /nfs/dbraw/zinc/00/30/55/563003055.db2.gz QUJXZUAZZBHKQA-UHFFFAOYSA-N 1 0 459.428 5.528 1 0 JKAFRO CC[NH+](CC)CCCNc1ncc2cc(-c3c(C)cccc3C)c(NC(=O)NC(C)(C)C)nc2n1 ZINC000013862906 563003171 /nfs/dbraw/zinc/00/31/71/563003171.db2.gz VCNDNCLJYTUPOX-UHFFFAOYSA-N 1 0 477.657 5.372 1 0 JKAFRO Brc1cc(Br)c2c(c1)[C@@H]([NH2+]CCCNc1nc3ccccc3[nH]1)CCN2 ZINC000013918062 563004713 /nfs/dbraw/zinc/00/47/13/563004713.db2.gz AMXNANPJXQHROJ-HNNXBMFYSA-N 1 0 479.220 5.036 1 0 JKAFRO O=C([O-])[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000013974807 563004771 /nfs/dbraw/zinc/00/47/71/563004771.db2.gz FLDDBSYUKQDTDX-MHECFPHRSA-N 1 0 477.432 5.375 1 0 JKAFRO Oc1ccc2c(ccc3c2[C@@H](c2ccc(OCC[NH+]4CCCCC4)cc2)c2ccc(O)cc2C3)c1 ZINC000013976024 563004965 /nfs/dbraw/zinc/00/49/65/563004965.db2.gz FYEARXADVSSUQS-PMERELPUSA-N 1 0 465.593 6.200 1 0 JKAFRO CCOc1cc([C@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2ccccc2)ccc1OC(C)C ZINC000013977530 563005027 /nfs/dbraw/zinc/00/50/27/563005027.db2.gz KOLZRJYVOYSZGO-MHZLTWQESA-N 1 0 484.600 5.473 1 0 JKAFRO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](C[C@@H](C)c1cccc(Oc3ccccc3)c1)C2 ZINC000013980977 563005177 /nfs/dbraw/zinc/00/51/77/563005177.db2.gz GSWMEUVFODYSCE-LPZRHKQLSA-N 1 0 483.608 5.817 1 0 JKAFRO Fc1ccc(SCCC[NH+]2CCC(n3c4ccc(F)cc4nc3CC(F)(F)F)CC2)cc1 ZINC000013980365 563005198 /nfs/dbraw/zinc/00/51/98/563005198.db2.gz CBWIHQUMXLBCET-UHFFFAOYSA-N 1 0 469.523 6.239 1 0 JKAFRO C[NH+]1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c32)CC1 ZINC000013984292 563005405 /nfs/dbraw/zinc/00/54/05/563005405.db2.gz MKNGJNHUZSCTJU-UHFFFAOYSA-N 1 0 475.980 5.474 1 0 JKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@H](Cc3cccnc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950812 563007148 /nfs/dbraw/zinc/00/71/48/563007148.db2.gz VBDBTLANBDJZRR-DEOSSOPVSA-N 1 0 499.578 5.151 1 0 JKAFRO NC(=[NH2+])c1ccc2scc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1 ZINC000014950958 563007155 /nfs/dbraw/zinc/00/71/55/563007155.db2.gz MHZNONWYVICPRR-AREMUKBSSA-N 1 0 491.616 6.943 1 0 JKAFRO [NH3+][C@H](COc1cncc(/C=C/c2ccnc(Sc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12 ZINC000014957764 563007928 /nfs/dbraw/zinc/00/79/28/563007928.db2.gz SNPAXCDTDTYIEG-LTDXDOBXSA-N 1 0 478.621 6.228 1 0 JKAFRO CC(C)C[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014959628 563008247 /nfs/dbraw/zinc/00/82/47/563008247.db2.gz JRJAYUPBVNFANK-UHFFFAOYSA-N 1 0 497.064 5.910 1 0 JKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2cc3ccc(Cl)cc3s2)CC1 ZINC000014959758 563008295 /nfs/dbraw/zinc/00/82/95/563008295.db2.gz PQDRFBZXRKOETO-UHFFFAOYSA-N 1 0 466.050 6.160 1 0 JKAFRO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCC5CCCCC5)c4)c3)cc12 ZINC000014961793 563008477 /nfs/dbraw/zinc/00/84/77/563008477.db2.gz MFYOLTIJRSXVBH-VWLOTQADSA-N 1 0 470.617 5.841 1 0 in-vitro JKAFRO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(C[NH3+])c1Cl ZINC000014963018 563008564 /nfs/dbraw/zinc/00/85/64/563008564.db2.gz ZQELKYLGCFHINW-UHFFFAOYSA-N 1 0 485.780 5.075 1 0 JKAFRO C[NH+](C)Cc1c2ccccc2sc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000014963631 563008645 /nfs/dbraw/zinc/00/86/45/563008645.db2.gz GUWHVNCCIYIYIP-UHFFFAOYSA-N 1 0 498.435 6.774 1 0 JKAFRO CC(C)C1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000014969862 563009531 /nfs/dbraw/zinc/00/95/31/563009531.db2.gz AICOOMRHRUFYCM-ZRRPKQBOSA-N 1 0 484.725 5.125 1 0 JKAFRO CC[C@@H](C)C1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000014969900 563009554 /nfs/dbraw/zinc/00/95/54/563009554.db2.gz NSFFTMSKXQWKRS-PJYYNTMISA-N 1 0 498.752 5.515 1 0 JKAFRO CCCCc1ccccc1N1CC[NH+](CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000014975967 563010223 /nfs/dbraw/zinc/01/02/23/563010223.db2.gz GLAJHBSVLZCXST-MUUNZHRXSA-N 1 0 461.694 5.905 1 0 JKAFRO CCCCc1ccccc1N1CC[NH+](CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000014975970 563010298 /nfs/dbraw/zinc/01/02/98/563010298.db2.gz GLAJHBSVLZCXST-NDEPHWFRSA-N 1 0 461.694 5.905 1 0 JKAFRO CC(C)(C)C1CCC([NH+]2CCC3(CC2)c2ccc(F)cc2CN(Cc2ccccc2)C3=O)CC1 ZINC000014977306 563010564 /nfs/dbraw/zinc/01/05/64/563010564.db2.gz ZIIJXESCDVHNCX-UHFFFAOYSA-N 1 0 462.653 6.307 1 0 JKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000014978604 563010771 /nfs/dbraw/zinc/01/07/71/563010771.db2.gz MQFVMWBVJNBDJG-CIBWYJFOSA-N 1 0 463.861 7.504 1 0 JKAFRO COc1ccc(NC(=O)c2cc3cc(C4(O)CC[NH+](C[C@@H]5CC=CCC5)CC4)ccc3o2)cc1 ZINC000014980785 563011112 /nfs/dbraw/zinc/01/11/12/563011112.db2.gz PAWUHDZJXAGISK-HXUWFJFHSA-N 1 0 460.574 5.333 1 0 JKAFRO CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3cc(OC)c(OC)cc3Br)s2)cc1 ZINC000015936901 563012306 /nfs/dbraw/zinc/01/23/06/563012306.db2.gz FESGUUJJUOOBKH-UHFFFAOYSA-N 1 0 497.438 6.173 3 0 JKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000016080001 563013065 /nfs/dbraw/zinc/01/30/65/563013065.db2.gz RPUTVAIXMBFZLI-NTCAYCPXSA-N 1 0 479.624 5.307 1 0 JKAFRO COc1ccc([C@@H]2C=CC[N@H+](CC3CC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018100541 563014473 /nfs/dbraw/zinc/01/44/73/563014473.db2.gz LOXGLFHDUZOSOG-KYJUHHDHSA-N 1 0 484.615 5.797 1 0 JKAFRO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4cc(Br)ccc4Cl)ccc3n2)CC1 ZINC000020108618 563015621 /nfs/dbraw/zinc/01/56/21/563015621.db2.gz UQBQZQCCEDCSSI-UHFFFAOYSA-N 1 0 487.829 5.353 1 0 JKAFRO O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)c1cc2c(s1)-c1ccccc1SC2 ZINC000020329399 563015973 /nfs/dbraw/zinc/01/59/73/563015973.db2.gz QQQNLTRJFIEVRX-UHFFFAOYSA-N 1 0 452.645 6.179 1 0 JKAFRO Cn1c2ccc(CCCC[NH+]3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O ZINC000022924645 563017510 /nfs/dbraw/zinc/01/75/10/563017510.db2.gz HXCDEZDRGXIHKK-UHFFFAOYSA-N 1 0 464.462 5.047 1 0 JKAFRO C(=C/c1ccccc1)\c1cc(CCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)on1 ZINC000022924692 563017512 /nfs/dbraw/zinc/01/75/12/563017512.db2.gz XKJWPBFAOCBQQJ-FMQUCBEESA-N 1 0 477.652 6.575 1 0 JKAFRO COc1ccc(/C=C/CN2CC[NH+](CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022925535 563017625 /nfs/dbraw/zinc/01/76/25/563017625.db2.gz SUPURMVBOPJGOE-NSCUHMNNSA-N 1 0 478.583 5.410 1 0 JKAFRO FC(F)(F)c1cc(COC[C@@H](c2cccc(Cl)c2)N2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000022926858 563017735 /nfs/dbraw/zinc/01/77/35/563017735.db2.gz XPQVVEFXDFZVJS-IBGZPJMESA-N 1 0 466.853 5.541 1 0 JKAFRO FC(F)(F)c1cc(COC[C@@H](c2ccccc2Cl)N2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000022926825 563017739 /nfs/dbraw/zinc/01/77/39/563017739.db2.gz ZVICQCCUPPVYMV-IBGZPJMESA-N 1 0 466.853 5.541 1 0 JKAFRO Fc1ccc(C(OCCN2CC[NH+](CC3=Cc4ccccc4CC3)CC2)c2ccc(F)cc2)cc1 ZINC000022927664 563017952 /nfs/dbraw/zinc/01/79/52/563017952.db2.gz IBFVYMMHVWFRDD-UHFFFAOYSA-N 1 0 474.595 5.718 1 0 JKAFRO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](CCCOc3ccc4ccccc4c3)C1)CC2 ZINC000022930515 563018286 /nfs/dbraw/zinc/01/82/86/563018286.db2.gz BFMCYLRJNAXJFX-SANMLTNESA-N 1 0 460.618 5.149 1 0 JKAFRO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](CCCOc3ccc4c(c3)-c3ccccc3C4)C1)CC2 ZINC000022930520 563018344 /nfs/dbraw/zinc/01/83/44/563018344.db2.gz JBEWIPMACLNNPY-MHZLTWQESA-N 1 0 498.667 5.567 1 0 JKAFRO Cc1ccc(O)c(N(CCC[NH+]2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(C)C)c1 ZINC000022934240 563018808 /nfs/dbraw/zinc/01/88/08/563018808.db2.gz UNGXAWSESDDMLX-PMERELPUSA-N 1 0 492.107 6.366 1 0 JKAFRO C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)C[N@@H+]1CCCc1ccccc1 ZINC000022938512 563019236 /nfs/dbraw/zinc/01/92/36/563019236.db2.gz CNCNZYATGYMZNQ-RPWUZVMVSA-N 1 0 478.627 6.098 1 0 JKAFRO Oc1ccccc1CCC[NH+]1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022939414 563019319 /nfs/dbraw/zinc/01/93/19/563019319.db2.gz GGOYWROJGGULMW-UHFFFAOYSA-N 1 0 466.572 5.027 1 0 JKAFRO O=C(CCCN1CC[NH+](CCCc2ccccc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000022940085 563019510 /nfs/dbraw/zinc/01/95/10/563019510.db2.gz UFHFNDHFTRUFFK-HKBQPEDESA-N 1 0 499.724 5.529 1 0 JKAFRO O=C(CCC[NH+]1CCN(C/C=C/c2ccccc2)CC1)NC1c2ccccc2C=Cc2ccccc21 ZINC000022940109 563019616 /nfs/dbraw/zinc/01/96/16/563019616.db2.gz CEAYSGGPEDTANY-XYOKQWHBSA-N 1 0 477.652 5.487 1 0 JKAFRO Cc1ccc(NC[C@@H](O)CN2CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022941082 563019807 /nfs/dbraw/zinc/01/98/07/563019807.db2.gz FYRISFFOTULNGI-GDLZYMKVSA-N 1 0 493.642 5.276 1 0 JKAFRO CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CC[NH2+]CC1)c1ccccc1 ZINC000022941790 563019815 /nfs/dbraw/zinc/01/98/15/563019815.db2.gz UZIUERPVGXNKKW-SANMLTNESA-N 1 0 464.613 5.188 1 0 JKAFRO CC(C)[C@H](C)NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CC[NH+](C(C)C)CC1 ZINC000022941806 563019829 /nfs/dbraw/zinc/01/98/29/563019829.db2.gz LQFYHISCELYWDN-QFIPXVFZSA-N 1 0 458.650 5.202 1 0 JKAFRO [NH3+][C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000022941581 563019831 /nfs/dbraw/zinc/01/98/31/563019831.db2.gz MZJLFDPTAQVJLX-FCHUYYIVSA-N 1 0 498.898 7.241 1 0 JKAFRO CC(C)[NH+]1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000022941801 563019841 /nfs/dbraw/zinc/01/98/41/563019841.db2.gz AXFMOMFMMVHXGZ-DEOSSOPVSA-N 1 0 498.715 6.126 1 0 JKAFRO CC(C)c1cccc([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CC[NH2+]CC2)c1 ZINC000022941695 563019843 /nfs/dbraw/zinc/01/98/43/563019843.db2.gz PKAFUPCGJKCHLU-QFIPXVFZSA-N 1 0 474.489 6.011 1 0 JKAFRO C[C@H](Cc1ccccc1)C[NH+]1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023360829 563020064 /nfs/dbraw/zinc/02/00/64/563020064.db2.gz QUOVWZCNMCSUEF-HSZRJFAPSA-N 1 0 464.600 5.567 1 0 JKAFRO Clc1ccc(CCC[NH+]2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000025992971 563021191 /nfs/dbraw/zinc/02/11/91/563021191.db2.gz RRKDYZPVAQPXOO-UHFFFAOYSA-N 1 0 468.468 7.444 1 0 JKAFRO COc1ccc(CCC[NH+]2CCC(CO[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000026000385 563021314 /nfs/dbraw/zinc/02/13/14/563021314.db2.gz HVIZCDBBFVFTGP-LJAQVGFWSA-N 1 0 464.049 6.799 1 0 JKAFRO CCNC(=O)Nc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2cc(C)cc(C)c2)cc1 ZINC000026016983 563021879 /nfs/dbraw/zinc/02/18/79/563021879.db2.gz INZUACNSXZNPQY-UHFFFAOYSA-N 1 0 482.672 6.748 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2c(cccc2OC)C1 ZINC000026144014 563022285 /nfs/dbraw/zinc/02/22/85/563022285.db2.gz LVSUPYDDQCSHAN-NDEPHWFRSA-N 1 0 470.657 6.142 1 0 JKAFRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000026146477 563022351 /nfs/dbraw/zinc/02/23/51/563022351.db2.gz VWYDECMNCXHJOZ-YKSBVNFPSA-N 1 0 479.045 5.734 1 0 JKAFRO COc1ccc(S(=O)(=O)N[C@@H](C[NH2+][C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026152547 563022436 /nfs/dbraw/zinc/02/24/36/563022436.db2.gz KQDXAFJALGMWOX-XUZZJYLKSA-N 1 0 474.626 5.089 1 0 JKAFRO COc1ccc(Br)cc1-c1nc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)co1 ZINC000026170177 563023337 /nfs/dbraw/zinc/02/33/37/563023337.db2.gz LJXKPIFQYYNLTO-IBGZPJMESA-N 1 0 470.411 5.067 1 0 JKAFRO CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOc2ccccc2)cc1 ZINC000026188567 563024195 /nfs/dbraw/zinc/02/41/95/563024195.db2.gz BJUKILPKANSPOY-RNPORBBMSA-N 1 0 494.679 6.676 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026188083 563024206 /nfs/dbraw/zinc/02/42/06/563024206.db2.gz SMEALXDSTRDBRR-ISILISOKSA-N 1 0 450.626 6.108 1 0 JKAFRO C[C@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000026295021 563025917 /nfs/dbraw/zinc/02/59/17/563025917.db2.gz MZPZPLOHGVBKAT-XXBNENTESA-N 1 0 488.550 5.776 1 0 JKAFRO Cc1cc(OCCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026467069 563027825 /nfs/dbraw/zinc/02/78/25/563027825.db2.gz BROPUBQWSIYKTI-UHFFFAOYSA-N 1 0 458.646 5.884 1 0 JKAFRO NC(=O)c1ccc2c(c1)CCO[C@@H]2CC[N@H+]1CC=C(c2c[nH]c3cc(C(F)(F)F)ccc32)CC1 ZINC000026498155 563028939 /nfs/dbraw/zinc/02/89/39/563028939.db2.gz ULBUUAFUKXEBCK-XMMPIXPASA-N 1 0 469.507 5.079 1 0 JKAFRO CN(C[C@@H](CC[N@H+](C)CCc1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026503394 563029239 /nfs/dbraw/zinc/02/92/39/563029239.db2.gz LDKUNYPURMWIMV-XMMPIXPASA-N 1 0 471.066 5.309 1 0 JKAFRO Cc1ccsc1[C@H](c1ccccc1C)[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026567116 563029695 /nfs/dbraw/zinc/02/96/95/563029695.db2.gz WZOPZZHCALZOMQ-VWLOTQADSA-N 1 0 480.641 5.405 1 0 JKAFRO CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CC[NH+](CCn2c(=O)oc3ccccc32)CC1 ZINC000026567734 563029724 /nfs/dbraw/zinc/02/97/24/563029724.db2.gz ALWVBPDYDGBARS-UHFFFAOYSA-N 1 0 487.575 5.168 1 0 JKAFRO Oc1ccc2c(c1)S[C@H](C1CCCCC1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026568818 563029842 /nfs/dbraw/zinc/02/98/42/563029842.db2.gz YDDKFGNAKZTILR-RRPNLBNLSA-N 1 0 453.648 6.432 1 0 JKAFRO C[NH+]1CCC(CC(=O)N2CCC(=C3c4ccc(Cl)cc4SCc4cccnc43)CC2)CC1 ZINC000026569055 563029947 /nfs/dbraw/zinc/02/99/47/563029947.db2.gz UNQXNXZNETUFGG-UHFFFAOYSA-N 1 0 468.066 5.497 1 0 JKAFRO COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OCCCC[NH+](C)C ZINC000026573218 563030156 /nfs/dbraw/zinc/03/01/56/563030156.db2.gz MWSUARADAXHTLM-RPWUZVMVSA-N 1 0 467.654 5.267 1 0 JKAFRO CN1Cc2ccccc2[C@H](c2ccc(Cl)cc2)[NH+]=C1CCc1ccc(NS(C)(=O)=O)cc1 ZINC000026574118 563030203 /nfs/dbraw/zinc/03/02/03/563030203.db2.gz UOXDXNDCBQOJFF-VWLOTQADSA-N 1 0 468.022 5.278 1 0 JKAFRO C[C@@H]1C[NH+](CCCn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@@H](C)N1 ZINC000026576630 563030618 /nfs/dbraw/zinc/03/06/18/563030618.db2.gz ZFYKCNUOELWCKS-HUUCEWRRSA-N 1 0 479.260 5.392 1 0 JKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Br)ccc3c2OCC[C@H]2CCCC[N@H+]2C)c1 ZINC000026577349 563030792 /nfs/dbraw/zinc/03/07/92/563030792.db2.gz SNKBTPCBBFBFMO-HXUWFJFHSA-N 1 0 469.423 5.828 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000026580020 563031394 /nfs/dbraw/zinc/03/13/94/563031394.db2.gz SAAXXRQGKOSDGS-RUZDIDTESA-N 1 0 497.104 6.014 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000026646385 563031821 /nfs/dbraw/zinc/03/18/21/563031821.db2.gz XTWSQGXILYNBTF-HHHXNRCGSA-N 1 0 468.707 5.773 1 0 JKAFRO Clc1ccc([C@@H](c2ccccc2)N2CC[NH+](CCCOCc3cccc4ccccc43)CC2)cc1 ZINC000026650751 563032082 /nfs/dbraw/zinc/03/20/82/563032082.db2.gz UYWGWRZYEDOPQI-WJOKGBTCSA-N 1 0 485.071 6.807 1 0 JKAFRO C[C@H]1CCC[C@H](C)[NH+]1CCOc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2cccc(O)c2)cc1 ZINC000026652461 563032188 /nfs/dbraw/zinc/03/21/88/563032188.db2.gz DGUGAVBTCOIQFE-REKZJURSSA-N 1 0 491.653 6.707 1 0 JKAFRO Cc1c(O)ccc2c1O[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)[C@H](c1ccc(O)cc1)S2 ZINC000026652927 563032190 /nfs/dbraw/zinc/03/21/90/563032190.db2.gz YZZPBYXZHVCXOL-IZLXSDGUSA-N 1 0 477.626 6.238 1 0 JKAFRO Oc1cccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000026656570 563032393 /nfs/dbraw/zinc/03/23/93/563032393.db2.gz NAULYXADLNIEES-RRPNLBNLSA-N 1 0 463.599 5.930 1 0 JKAFRO Cc1cc(O)cc2c1S[C@@H](c1ccc(O)cc1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026657086 563032475 /nfs/dbraw/zinc/03/24/75/563032475.db2.gz ATTRNIIVHKTCGI-IAPPQJPRSA-N 1 0 477.626 6.238 1 0 JKAFRO COC(=O)N(CC1CCCC1)C1CC[NH+](C[C@H]2CN(C(=O)C3CCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026662523 563032809 /nfs/dbraw/zinc/03/28/09/563032809.db2.gz HSSABHWMBMZDBQ-XTEPFMGCSA-N 1 0 495.708 5.142 1 0 JKAFRO O=C(c1ccc(Cl)cc1)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026662502 563032812 /nfs/dbraw/zinc/03/28/12/563032812.db2.gz AAEHNXBQLULMSR-XTEPFMGCSA-N 1 0 459.033 6.075 1 0 JKAFRO O=C(c1ccccc1Cl)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026664794 563032885 /nfs/dbraw/zinc/03/28/85/563032885.db2.gz ZLNRUMMWEGLEMI-AHKZPQOWSA-N 1 0 459.033 6.075 1 0 JKAFRO CCCCCCC1(CCCCCC)[NH2+][C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3ccccc3[nH]c21 ZINC000026750969 563035234 /nfs/dbraw/zinc/03/52/34/563035234.db2.gz RNFAGEHOUTWLCQ-NDEPHWFRSA-N 1 0 482.716 8.581 1 0 JKAFRO C[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026751861 563035243 /nfs/dbraw/zinc/03/52/43/563035243.db2.gz OSMUKSUFVCBALC-YMQLSWAVSA-N 1 0 477.737 6.697 1 0 JKAFRO Cn1c2ccc(Cl)cc2c(CCC(=O)N2CC[NH+](CC(C)(C)C)CC2)c1-c1ccc(Cl)cc1 ZINC000026821706 563035644 /nfs/dbraw/zinc/03/56/44/563035644.db2.gz PONFEEVYOJAPRZ-UHFFFAOYSA-N 1 0 486.487 6.275 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2Cc2ccc(Cl)cc2)c1 ZINC000026822471 563035727 /nfs/dbraw/zinc/03/57/27/563035727.db2.gz ZMPABVVPVGDMMD-WUFINQPMSA-N 1 0 498.070 6.511 1 0 JKAFRO CSc1sc(C(N)=[NH2+])cc1-c1nc(-c2cnn(-c3ccccc3)c2OCCC(C)C)cs1 ZINC000026826230 563035944 /nfs/dbraw/zinc/03/59/44/563035944.db2.gz XFZGXHVUFVVRJY-UHFFFAOYSA-N 1 0 483.688 6.155 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2CCc2ccccc2)c1 ZINC000026833330 563036485 /nfs/dbraw/zinc/03/64/85/563036485.db2.gz IBMYPZNNBNFMQV-URLMMPGGSA-N 1 0 477.652 6.247 1 0 JKAFRO CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C[N@@H+]3CCCCC[C@H]3c3ccccc3C)[nH]2)c1 ZINC000026984618 563038746 /nfs/dbraw/zinc/03/87/46/563038746.db2.gz DLNZFPDQXJEXTN-SANMLTNESA-N 1 0 466.647 5.910 1 0 JKAFRO COc1ccc(CN[C@H](C[NH2+][C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026997983 563038887 /nfs/dbraw/zinc/03/88/87/563038887.db2.gz BVAQUQXGHOSEIC-GJZUVCINSA-N 1 0 454.614 5.909 1 0 JKAFRO C[n+]1cccc(C(=O)OCCCCCCCn2ccc3cc(OCc4ccccc4)ccc32)c1 ZINC000027084455 563039219 /nfs/dbraw/zinc/03/92/19/563039219.db2.gz QGZNRXAXXCCAFL-UHFFFAOYSA-N 1 0 457.594 5.852 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2Cc2ccccc2)c1 ZINC000027104500 563040113 /nfs/dbraw/zinc/04/01/13/563040113.db2.gz WQZUOBIIPDZRJP-VSGBNLITSA-N 1 0 463.625 5.857 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2[C@@H](C)c2ccccc2)c1 ZINC000027104110 563040138 /nfs/dbraw/zinc/04/01/38/563040138.db2.gz KDLUBXVKFJCDHI-UTVTVZQCSA-N 1 0 477.652 6.418 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@@H]2Cc2ccccc2)c1 ZINC000027104495 563040150 /nfs/dbraw/zinc/04/01/50/563040150.db2.gz WQZUOBIIPDZRJP-NSOVKSMOSA-N 1 0 463.625 5.857 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2[C@@H](C)c2ccccc2)c1 ZINC000027104102 563040152 /nfs/dbraw/zinc/04/01/52/563040152.db2.gz KDLUBXVKFJCDHI-IBFLQGPHSA-N 1 0 477.652 6.418 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@@H]2[C@H](C)c2ccccc2)c1 ZINC000027105185 563040275 /nfs/dbraw/zinc/04/02/75/563040275.db2.gz KDLUBXVKFJCDHI-YIHZDXAJSA-N 1 0 477.652 6.418 1 0 JKAFRO C[C@H](C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027106311 563040305 /nfs/dbraw/zinc/04/03/05/563040305.db2.gz YOYKYWQOJLXSNN-UFHPHHKVSA-N 1 0 461.671 6.292 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCC[C@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000027187541 563040837 /nfs/dbraw/zinc/04/08/37/563040837.db2.gz NIDUNJHZZKTAFQ-HOFKKMOUSA-N 1 0 470.440 6.815 1 0 JKAFRO COc1ccc(CC[NH+]2CCC(CO[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000027185932 563040867 /nfs/dbraw/zinc/04/08/67/563040867.db2.gz HJFYSKIZSZOYAX-NDEPHWFRSA-N 1 0 450.022 6.409 1 0 JKAFRO CCCc1c(Cl)c(Cl)ccc1OC[C@H]([NH3+])COc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000027198281 563041314 /nfs/dbraw/zinc/04/13/14/563041314.db2.gz YVVOPKMDWJEWHG-SAGYFLTASA-N 1 0 481.401 5.055 1 0 JKAFRO CCCC[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)C1=O ZINC000027200374 563041375 /nfs/dbraw/zinc/04/13/75/563041375.db2.gz GFGPODGJDNBPHR-JWQCQUIFSA-N 1 0 490.644 5.258 1 0 JKAFRO COc1ccc(CCC[N@@H+]2CCC[C@H]2CO[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000027207148 563041792 /nfs/dbraw/zinc/04/17/92/563041792.db2.gz UJDRPOPKIXKXMQ-XTEPFMGCSA-N 1 0 450.022 6.552 1 0 JKAFRO O=C(Nc1ccc2c[nH]nc2c1)Nc1cc2c(cc1C[NH+]1CCC(Cc3ccccc3)CC1)OCO2 ZINC000027211633 563041997 /nfs/dbraw/zinc/04/19/97/563041997.db2.gz KQFGYWZUCHKHDK-UHFFFAOYSA-N 1 0 483.572 5.390 1 0 JKAFRO CC(C)(C)[NH2+]Cc1cc(Nc2ccnc3cc(Cl)ccc32)cc(-c2ccc(Cl)cc2)c1F ZINC000027309019 563042471 /nfs/dbraw/zinc/04/24/71/563042471.db2.gz IFNYEYANDSEUAB-UHFFFAOYSA-N 1 0 468.403 7.979 1 0 JKAFRO CCC[NH+](CCC)[C@@H]1CCc2c(ccc([C@H](O)Cc3ccc(Cl)c(Cl)c3)c2OC)C1 ZINC000027331798 563043170 /nfs/dbraw/zinc/04/31/70/563043170.db2.gz SNKGBCKUVWDTSB-NTKDMRAZSA-N 1 0 450.450 6.257 1 0 JKAFRO C=Cc1ccc([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CC[NH2+]CC2)cc1C=C ZINC000027437957 563044287 /nfs/dbraw/zinc/04/42/87/563044287.db2.gz NZUGQDNKOUVIOO-QHCPKHFHSA-N 1 0 484.484 6.173 1 0 JKAFRO Clc1ccc2c(c1)nccc2NCC[NH+]1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000027436890 563044311 /nfs/dbraw/zinc/04/43/11/563044311.db2.gz AXGJQYDQWXCHEV-UHFFFAOYSA-N 1 0 452.389 5.324 1 0 JKAFRO CC(C)=CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)[C@H]1OC(C)=O ZINC000027443193 563044451 /nfs/dbraw/zinc/04/44/51/563044451.db2.gz SYWAOYCXRQDRLP-ULERWODGSA-N 1 0 484.725 5.508 1 0 in-vivo JKAFRO CC(C)=CC(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)[NH+](C)C)=CC[C@@H]4[C@@H]3CC[C@@H]2[C@H]1OC(C)=O ZINC000027443178 563044482 /nfs/dbraw/zinc/04/44/82/563044482.db2.gz SYWAOYCXRQDRLP-KYOVQGFOSA-N 1 0 484.725 5.508 1 0 JKAFRO CC(C)(C)[NH2+]Cc1cc(Nc2ccnc3cc(Cl)ccc32)cc(-c2ccc(Cl)cc2)c1 ZINC000027517759 563044538 /nfs/dbraw/zinc/04/45/38/563044538.db2.gz HXDBUCARQYSXML-UHFFFAOYSA-N 1 0 450.413 7.840 1 0 JKAFRO NC(=[NH2+])c1cccc(CC[C@H](/C=C/c2ccccc2)NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000027520444 563044854 /nfs/dbraw/zinc/04/48/54/563044854.db2.gz BMXLIXIFYFUVHD-DMYUTJGESA-N 1 0 459.593 6.082 1 0 JKAFRO C[C@H](CN1CCC([NH+](C)C)CC1)c1c2ccccc2sc1COc1ccc(Cl)cc1Cl ZINC000027526059 563045552 /nfs/dbraw/zinc/04/55/52/563045552.db2.gz VCNDHWSJWTZENG-QGZVFWFLSA-N 1 0 477.501 6.917 1 0 JKAFRO C[NH+](C)C1CCN(CCc2c(/C=C/c3ccc(Cl)cc3Cl)sc3ccccc32)CC1 ZINC000027526906 563045684 /nfs/dbraw/zinc/04/56/84/563045684.db2.gz MOIDQEZYJUNWCN-CSKARUKUSA-N 1 0 459.486 6.947 1 0 JKAFRO C[NH+](C)CCCS[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1 ZINC000027527018 563045690 /nfs/dbraw/zinc/04/56/90/563045690.db2.gz GUSYJUZZKLQMPD-WRUTXJEYSA-N 1 0 475.739 5.297 1 0 JKAFRO FC(F)(F)c1ccccc1CO[C@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000027546930 563045732 /nfs/dbraw/zinc/04/57/32/563045732.db2.gz LALMBRZEIUEEIY-SXOMAYOGSA-N 1 0 451.532 6.517 1 0 JKAFRO FC(F)(F)c1ccccc1CO[C@@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000027546932 563045787 /nfs/dbraw/zinc/04/57/87/563045787.db2.gz LALMBRZEIUEEIY-RRPNLBNLSA-N 1 0 451.532 6.517 1 0 JKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2C(C)(C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000027547594 563045812 /nfs/dbraw/zinc/04/58/12/563045812.db2.gz QDZPKOVOEQFXFD-UHFFFAOYSA-N 1 0 491.528 7.091 1 0 JKAFRO FC(F)(F)c1cccc(CO[C@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027547879 563045884 /nfs/dbraw/zinc/04/58/84/563045884.db2.gz FWWHAAGOCFCRFY-SVBPBHIXSA-N 1 0 451.532 6.517 1 0 JKAFRO C[C@H](C(=O)N(C1CCCCC1)C1CCCCC1)C1(O)CC[NH+](CCc2ccccc2Cl)CC1 ZINC000027554097 563046200 /nfs/dbraw/zinc/04/62/00/563046200.db2.gz HJENFBMQZBVWHY-JOCHJYFZSA-N 1 0 475.117 5.840 1 0 JKAFRO CCC(=O)OC1([C@H](C)C(=O)N(C)C2CCCCC2)CC[NH+](CCc2ccccc2Cl)CC1 ZINC000027557662 563046542 /nfs/dbraw/zinc/04/65/42/563046542.db2.gz QMEQNFHRSZADSS-HXUWFJFHSA-N 1 0 463.062 5.098 1 0 JKAFRO COc1ccc(C[C@H]2[NH2+]CCc3cc4c(cc32)C[C@H]([C@@H](C)CSc2ccccc2)O4)cc1OC ZINC000027561302 563046906 /nfs/dbraw/zinc/04/69/06/563046906.db2.gz LWLPEHDZZFQCBB-DNKZPPIMSA-N 1 0 475.654 5.865 1 0 JKAFRO CC(C)(C)c1cc(I)c2c(c1)C[NH2+]C1(CCCCCCCCCCC1)O2 ZINC000027654596 563048930 /nfs/dbraw/zinc/04/89/30/563048930.db2.gz JRPNMBHSBLQZQK-UHFFFAOYSA-N 1 0 469.451 7.072 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)C(c1ccc(OCC[NH+]3CCCC3)cc1)=C2c1ccccc1 ZINC000027653703 563048934 /nfs/dbraw/zinc/04/89/34/563048934.db2.gz RRIDDWVSCDRUIU-UHFFFAOYSA-N 1 0 455.598 6.300 1 0 JKAFRO CCC/C(=C\c1cccnc1)C(=O)NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027654928 563049061 /nfs/dbraw/zinc/04/90/61/563049061.db2.gz UKLYDCPYKUQJGF-QCWLDUFUSA-N 1 0 496.699 5.569 1 0 JKAFRO CC(C)(C)c1cc(I)c2c(c1)CNC1(CC[NH+](CCc3ccccc3)CC1)O2 ZINC000027656234 563049116 /nfs/dbraw/zinc/04/91/16/563049116.db2.gz NMVLHRKQJHAINM-UHFFFAOYSA-N 1 0 490.429 5.106 1 0 JKAFRO Cc1ccc(C(c2ccc(C)cc2)N2CC[NH+](CCCCNC(=O)/C=C/c3cccnc3)CC2)cc1 ZINC000027656242 563049174 /nfs/dbraw/zinc/04/91/74/563049174.db2.gz NAHFWNALJGCZDB-LFIBNONCSA-N 1 0 482.672 5.015 1 0 JKAFRO Cc1ccc(/C=C/C=C/C(=O)NCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027707069 563049615 /nfs/dbraw/zinc/04/96/15/563049615.db2.gz YQFIFANMOCYFHY-MAJDQBKLSA-N 1 0 494.683 5.263 1 0 JKAFRO COc1cc2c(cc1OC)[C@@H](CC[NH+]1CCN(c3ccc(Cl)cc3)CC1)OCC(C)(C)C2 ZINC000027735268 563050892 /nfs/dbraw/zinc/05/08/92/563050892.db2.gz GRALYAHEKUITCC-HSZRJFAPSA-N 1 0 459.030 5.210 1 0 JKAFRO Cn1c2ccccc2c2c1CC[C@H](C[NH+]1CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)C2=O ZINC000027740362 563050988 /nfs/dbraw/zinc/05/09/88/563050988.db2.gz GMBNAWIYSADMKL-XMMPIXPASA-N 1 0 496.601 6.800 1 0 JKAFRO CCOc1cccc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027763128 563051470 /nfs/dbraw/zinc/05/14/70/563051470.db2.gz GOBJMVVHNHSDQT-DHLKQENFSA-N 1 0 461.433 5.545 1 0 JKAFRO O=C1NCN(c2ccccc2)C12CC[NH+](CCCN1c3ccccc3Sc3ccccc31)CC2 ZINC000027874993 563052480 /nfs/dbraw/zinc/05/24/80/563052480.db2.gz QERSUXOOSQLXJJ-UHFFFAOYSA-N 1 0 470.642 5.108 1 0 JKAFRO COc1ccc2onc(C3CC[NH+](CCCC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2c1 ZINC000027874197 563052540 /nfs/dbraw/zinc/05/25/40/563052540.db2.gz BCMCFTIIVHEFJL-UHFFFAOYSA-N 1 0 476.567 6.906 1 0 JKAFRO CCCCC[NH2+]C[C@@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027872136 563052553 /nfs/dbraw/zinc/05/25/53/563052553.db2.gz ABADCCYLYPCHJM-HSZRJFAPSA-N 1 0 457.570 5.647 1 0 JKAFRO O=c1c2ccc(OC[C@H](O)C[NH2+]C3CCCCC3)cc2oc(-c2ccccc2)c1-c1ccccc1 ZINC000027878379 563052601 /nfs/dbraw/zinc/05/26/01/563052601.db2.gz NZFJLUIIUJINNQ-XMMPIXPASA-N 1 0 469.581 5.789 1 0 JKAFRO COc1cc2c(cc1OC)[C@](C)(CCC[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)OCC2 ZINC000027884212 563052726 /nfs/dbraw/zinc/05/27/26/563052726.db2.gz FULHNQTUWSRVAC-VWLOTQADSA-N 1 0 478.555 5.113 1 0 JKAFRO COc1cc2c(cc1OC)[C@H](CC[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)OC(C)(C)C2 ZINC000027889282 563052902 /nfs/dbraw/zinc/05/29/02/563052902.db2.gz APHFRZCJEAXGLS-QFIPXVFZSA-N 1 0 478.555 5.327 1 0 JKAFRO O=[S@](c1ccccc1)[C@H](c1ccccc1)C1(O)CC[NH+](CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000027895890 563053005 /nfs/dbraw/zinc/05/30/05/563053005.db2.gz SFQVLTFYZUJXAH-YJNPBZNESA-N 1 0 476.617 5.226 1 0 JKAFRO CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1CCc1ccc(S(N)(=O)=O)cc1 ZINC000027991756 563053982 /nfs/dbraw/zinc/05/39/82/563053982.db2.gz PPGGFGWZLNGYPU-UHFFFAOYSA-N 1 0 457.619 5.322 1 0 JKAFRO Cc1ccc2[nH]c(-c3ccc(Br)cc3)c(CCCCC[NH2+]C3CCCCC3)c2c1 ZINC000028004197 563054430 /nfs/dbraw/zinc/05/44/30/563054430.db2.gz ZJFRTNWYAXTASJ-UHFFFAOYSA-N 1 0 453.468 7.541 1 0 JKAFRO CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)C(=O)C[C@@H]1SCC[NH+](CC)CC ZINC000028014957 563055103 /nfs/dbraw/zinc/05/51/03/563055103.db2.gz VBIZLYIQRDKKMS-JEQZHXOFSA-N 1 0 481.743 5.422 1 0 JKAFRO COc1ccc(OCCCCC[N@H+](C)C2CCCCC2)c([C@H]2Sc3ccccc3N2C=O)c1 ZINC000028017704 563055139 /nfs/dbraw/zinc/05/51/39/563055139.db2.gz YXPYOUKMFITYSJ-HHHXNRCGSA-N 1 0 468.663 6.276 1 0 JKAFRO COc1ccc(OCCCCC[N@H+](C)C2CCCCC2)c([C@@H]2Sc3ccccc3N2C=O)c1 ZINC000028017700 563055171 /nfs/dbraw/zinc/05/51/71/563055171.db2.gz YXPYOUKMFITYSJ-MHZLTWQESA-N 1 0 468.663 6.276 1 0 JKAFRO COc1ccc(OCCCC[NH+]2CCC(C(=O)c3ccccc3)CC2)c([C@@H]2SCCN2C(C)=O)c1 ZINC000028018645 563055174 /nfs/dbraw/zinc/05/51/74/563055174.db2.gz DRQJGGLIVMKLDO-NDEPHWFRSA-N 1 0 496.673 5.043 1 0 JKAFRO O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000028021234 563055349 /nfs/dbraw/zinc/05/53/49/563055349.db2.gz DZESXFZAOQEIBS-UHFFFAOYSA-N 1 0 469.372 5.489 1 0 JKAFRO CC(C)C(=O)OCC1(N(C(=O)C(C)C)c2ccccc2)CC[NH+](CCc2cccs2)CC1 ZINC000028085979 563055418 /nfs/dbraw/zinc/05/54/18/563055418.db2.gz VRPQDRSWGVFSDR-UHFFFAOYSA-N 1 0 456.652 5.014 1 0 JKAFRO CC(C)(C)c1ccc(C(=[NH2+])N[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000028091064 563055617 /nfs/dbraw/zinc/05/56/17/563055617.db2.gz BKTYEOBBEGICIU-AREMUKBSSA-N 1 0 461.613 6.754 1 0 JKAFRO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCC[NH+]1CCC(c2ccccc2)CC1 ZINC000028105202 563056233 /nfs/dbraw/zinc/05/62/33/563056233.db2.gz MYVDNIYWXALGML-UHFFFAOYSA-N 1 0 481.640 5.532 1 0 JKAFRO Fc1ccc(-c2ccc(-c3nc4c(ncnc4N4C[C@@H]5CC[N@H+](Cc6ccccc6)[C@@H]5C4)o3)cc2)cc1 ZINC000028108222 563056337 /nfs/dbraw/zinc/05/63/37/563056337.db2.gz ZYNFMWLBVNRZPB-AZGAKELHSA-N 1 0 491.570 5.802 1 0 JKAFRO C[NH+]1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccc(C=O)c3)cc2)CC1 ZINC000028117055 563056712 /nfs/dbraw/zinc/05/67/12/563056712.db2.gz VLFGKNPSRVKEEZ-UHFFFAOYSA-N 1 0 496.438 6.258 1 0 JKAFRO CCC[NH+](CCC)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028130102 563057225 /nfs/dbraw/zinc/05/72/25/563057225.db2.gz DFKHELJUOSZEEN-UHFFFAOYSA-N 1 0 460.780 7.488 1 0 JKAFRO O=C(c1ccc2[nH]ccc2c1)N1CCC([NH+]2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000028132119 563057433 /nfs/dbraw/zinc/05/74/33/563057433.db2.gz MBZCWMPLIFTLGC-UHFFFAOYSA-N 1 0 470.444 6.034 1 0 JKAFRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028134725 563057520 /nfs/dbraw/zinc/05/75/20/563057520.db2.gz GIMAFLOOKFRGCY-TZIWHRDSSA-N 1 0 496.482 6.347 1 0 JKAFRO Cc1ccc(Cl)c(O[C@H]([C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C2CCCCC2)c1 ZINC000028137900 563057687 /nfs/dbraw/zinc/05/76/87/563057687.db2.gz WUADNUGCSVGPSQ-BDYUSTAISA-N 1 0 498.067 5.317 1 0 JKAFRO CC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000028138132 563057718 /nfs/dbraw/zinc/05/77/18/563057718.db2.gz OJDZJIZHVCYWGT-UHFFFAOYSA-N 1 0 458.764 7.098 1 0 JKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCCCCOc1ccccc1 ZINC000028222980 563057996 /nfs/dbraw/zinc/05/79/96/563057996.db2.gz PEMYEAWVYDLPAE-XMMPIXPASA-N 1 0 493.692 6.890 1 0 JKAFRO O=C1c2ccccc2C(=O)N1CCCCCCn1c2cc(Cl)c(Cl)cc2nc1C1CC[NH2+]CC1 ZINC000028230622 563058269 /nfs/dbraw/zinc/05/82/69/563058269.db2.gz GCKZCUICIIYDPG-UHFFFAOYSA-N 1 0 499.442 5.667 1 0 JKAFRO O=C1/C(=C\c2ccccc2)c2ccccc2N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000028234031 563058325 /nfs/dbraw/zinc/05/83/25/563058325.db2.gz SVSXJEHCGDMBTP-QOMWVZHYSA-N 1 0 458.005 5.440 1 0 JKAFRO O=C1/C(=C/c2cccs2)c2ccccc2N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000028233136 563058390 /nfs/dbraw/zinc/05/83/90/563058390.db2.gz AFHGICYMZHHOKC-LYBHJNIJSA-N 1 0 464.034 5.501 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(C(=[NH2+])N3CCCC3)cc2F)n(-c2cc3ccccc3cc2F)n1 ZINC000028235479 563058444 /nfs/dbraw/zinc/05/84/44/563058444.db2.gz LQHYFMKRZYGPBR-UHFFFAOYSA-N 1 0 459.500 5.286 1 0 JKAFRO CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028237556 563058548 /nfs/dbraw/zinc/05/85/48/563058548.db2.gz YKWPIQGPHGTBPC-NTCAYCPXSA-N 1 0 451.614 5.390 1 0 JKAFRO CC(=O)N1CCc2ccc(N(C(=O)CCc3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028238292 563058564 /nfs/dbraw/zinc/05/85/64/563058564.db2.gz RVXRKPDRBFDVDH-UHFFFAOYSA-N 1 0 481.640 5.226 1 0 JKAFRO CN1CC[NH+]=C1c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)c(F)c1 ZINC000028236007 563058576 /nfs/dbraw/zinc/05/85/76/563058576.db2.gz KKUWKXIQHCWWOJ-UHFFFAOYSA-N 1 0 499.443 5.267 1 0 JKAFRO CC(=O)N1CCCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028241294 563058756 /nfs/dbraw/zinc/05/87/56/563058756.db2.gz ZFDSVYOQTBPJMI-SAPNQHFASA-N 1 0 493.651 5.697 1 0 JKAFRO C[C@@H]([C@H](c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)[NH+](C)C ZINC000028331845 563059635 /nfs/dbraw/zinc/05/96/35/563059635.db2.gz ZYAKTISGGAZUDF-RBTNQOKQSA-N 1 0 457.618 6.332 1 0 JKAFRO C[C@@H]1c2c(F)c(O)ccc2O[C@@H](c2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000028340207 563060318 /nfs/dbraw/zinc/06/03/18/563060318.db2.gz SZXSUSMBHOMKSB-IRTCRQIFSA-N 1 0 463.549 5.733 1 0 JKAFRO COc1ccc(CC(=O)N(C)C2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028339520 563060321 /nfs/dbraw/zinc/06/03/21/563060321.db2.gz HCYKOFOJMYGBBC-UHFFFAOYSA-N 1 0 456.630 5.383 1 0 JKAFRO O=C(NCc1ccc(-c2cccs2)s1)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000028341298 563060429 /nfs/dbraw/zinc/06/04/29/563060429.db2.gz LAWHNHMVZPTZJX-OALUTQOASA-N 1 0 475.477 5.814 1 0 JKAFRO C[C@H]1c2ccc(O)cc2O[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000028344825 563060609 /nfs/dbraw/zinc/06/06/09/563060609.db2.gz QZFNCDFOOSETTB-MXXBPKCLSA-N 1 0 459.586 5.984 1 0 JKAFRO CCN(C(=O)N[C@@H](C)c1ccccc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028350289 563060954 /nfs/dbraw/zinc/06/09/54/563060954.db2.gz YCMJGYHFHDNSFN-VWLOTQADSA-N 1 0 469.673 6.466 1 0 JKAFRO CC(C)[C@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)[NH+]1CCCC1 ZINC000028349087 563060967 /nfs/dbraw/zinc/06/09/67/563060967.db2.gz KRKRBIVNILCKBI-OWPQXHQJSA-N 1 0 491.653 6.564 1 0 JKAFRO CC[C@@H](C[NH+]1CCCC1)Oc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1 ZINC000028354263 563061313 /nfs/dbraw/zinc/06/13/13/563061313.db2.gz NWKCPPJDKLUHDY-MXSCXNJPSA-N 1 0 477.626 6.318 1 0 JKAFRO COc1cc(CC(=O)N(C)C2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1 ZINC000028356021 563061381 /nfs/dbraw/zinc/06/13/81/563061381.db2.gz BSFZNSGCHHTBRI-UHFFFAOYSA-N 1 0 486.656 5.391 1 0 JKAFRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000028365757 563061947 /nfs/dbraw/zinc/06/19/47/563061947.db2.gz PDQMROYIXJRXGV-JOCHJYFZSA-N 1 0 488.588 5.346 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@H](c2ccc([C@H](O)CC[NH+]3CCCCC3)cc2)c2c(O)cccc2C1 ZINC000028370372 563062285 /nfs/dbraw/zinc/06/22/85/563062285.db2.gz ZJPSGOJUQUBVBJ-FUFSCUOVSA-N 1 0 485.649 6.306 1 0 JKAFRO CC[NH+](CC)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000028370232 563062313 /nfs/dbraw/zinc/06/23/13/563062313.db2.gz UWJJTDPWLJCJMS-UHFFFAOYSA-N 1 0 490.604 5.545 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@@H](c2ccc([C@H](O)CC[NH+]3CCCCC3)cc2)c2ccc(O)cc2C1 ZINC000028370719 563062328 /nfs/dbraw/zinc/06/23/28/563062328.db2.gz JCPGSSZRKQLWNX-UHSQPCAPSA-N 1 0 485.649 6.306 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@H](c2ccc([C@H](O)CC[NH+]3CCCCC3)cc2)c2ccccc2C1 ZINC000028371402 563062402 /nfs/dbraw/zinc/06/24/02/563062402.db2.gz VAYMOEILCNGWNC-GGXMVOPNSA-N 1 0 469.650 6.601 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[N@@H+]3C[C@@H]4CC[C@@H]4C3)cc2)cc1 ZINC000028377537 563062665 /nfs/dbraw/zinc/06/26/65/563062665.db2.gz LCRLCVCOQDLILD-BBBCUWFFSA-N 1 0 475.610 5.786 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CC4(CCC4)C3)cc2)cc1 ZINC000028375935 563062709 /nfs/dbraw/zinc/06/27/09/563062709.db2.gz TZFOGJYLHDBPIJ-RRPNLBNLSA-N 1 0 475.610 5.930 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3C[C@H]4CC[C@@H]4C3)cc2)cc1 ZINC000028377544 563062794 /nfs/dbraw/zinc/06/27/94/563062794.db2.gz LCRLCVCOQDLILD-WFWYVRNUSA-N 1 0 475.610 5.786 1 0 JKAFRO CC[NH+](CC)CCNC(=O)c1ccc(N(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000028389877 563063521 /nfs/dbraw/zinc/06/35/21/563063521.db2.gz MAUUXRHCRWXUGQ-UHFFFAOYSA-N 1 0 490.604 5.227 1 0 JKAFRO CC[NH+](CC)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000028392194 563063648 /nfs/dbraw/zinc/06/36/48/563063648.db2.gz MWIXTYFDENCJJN-UHFFFAOYSA-N 1 0 460.578 5.537 1 0 JKAFRO Fc1ccc(C[NH2+][C@H]2CC[C@H](C(c3ccccc3)c3ccccc3)N(Cc3ccc(F)cc3)C2)cc1 ZINC000028393422 563063650 /nfs/dbraw/zinc/06/36/50/563063650.db2.gz KVWQMPXTOQRZSX-IOWSJCHKSA-N 1 0 482.618 6.920 1 0 JKAFRO CCNC(=O)c1ccc(C(c2cccc(C(C)=O)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028394123 563063749 /nfs/dbraw/zinc/06/37/49/563063749.db2.gz YORFAVJQYPIWIU-HNRBIFIRSA-N 1 0 468.597 5.861 1 0 JKAFRO S=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1)Nc1cccc(Cl)c1 ZINC000028395061 563063776 /nfs/dbraw/zinc/06/37/76/563063776.db2.gz MDJFXHRSVRJADP-UHFFFAOYSA-N 1 0 491.680 5.331 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3cccc4ccccc43)C[C@@H]2Cc2ccccc2)c1 ZINC000028396325 563063897 /nfs/dbraw/zinc/06/38/97/563063897.db2.gz XQCZPAUCNTZZCI-KYJUHHDHSA-N 1 0 462.637 6.462 1 0 JKAFRO [NH3+]CCCCn1c(SCCc2c[nH]c3ccc(Cl)cc23)nnc1-c1ccc2ccccc2n1 ZINC000028458649 563064255 /nfs/dbraw/zinc/06/42/55/563064255.db2.gz JZSSOKLDWIJDBZ-UHFFFAOYSA-N 1 0 477.037 5.702 1 0 JKAFRO CC[N@@H+](Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028458215 563064312 /nfs/dbraw/zinc/06/43/12/563064312.db2.gz GOCFZRIQMFPFBH-UHFFFAOYSA-N 1 0 454.540 6.454 1 0 JKAFRO C/C=C/c1ccc(OC)c(C[NH2+][C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000028463263 563064729 /nfs/dbraw/zinc/06/47/29/563064729.db2.gz QDAIXSKVDVDPKS-SEGNWMLISA-N 1 0 452.642 6.113 1 0 JKAFRO Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000028471820 563065396 /nfs/dbraw/zinc/06/53/96/563065396.db2.gz SSLBLYODMSIXSC-QFIPXVFZSA-N 1 0 488.503 5.337 1 0 JKAFRO Cc1ccc(NC(=O)NC[C@H](c2ccc(-c3ccccc3)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028520975 563066355 /nfs/dbraw/zinc/06/63/55/563066355.db2.gz LPGUJYWWRBKIOS-WJOKGBTCSA-N 1 0 496.699 6.475 1 0 JKAFRO O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C2CCCCC2)CC1)Nc1ccccc1 ZINC000028522341 563066519 /nfs/dbraw/zinc/06/65/19/563066519.db2.gz AHHOJFQACICXEL-XMMPIXPASA-N 1 0 474.571 5.519 1 0 JKAFRO Cc1cc(C)cc(NC(=O)NC[C@H](CC(C)C)[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000028522396 563066526 /nfs/dbraw/zinc/06/65/26/563066526.db2.gz LWHIDSSHJAZUCB-QFIPXVFZSA-N 1 0 477.480 5.969 1 0 JKAFRO COc1cc2c(cc1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)N(C(=O)Nc1cccc(Cl)c1Cl)CC2 ZINC000028523001 563066710 /nfs/dbraw/zinc/06/67/10/563066710.db2.gz QVSCAPWRKYDFIQ-GASCZTMLSA-N 1 0 463.409 5.125 1 0 JKAFRO COc1ccc([C@@H](CNC(=O)Nc2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028522971 563066733 /nfs/dbraw/zinc/06/67/33/563066733.db2.gz IWHKDPIAKYWOCM-MUUNZHRXSA-N 1 0 492.708 5.806 1 0 JKAFRO O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C2CCCCC2)CC1)Nc1ccc(F)cc1 ZINC000028523627 563066845 /nfs/dbraw/zinc/06/68/45/563066845.db2.gz KUHRWURAPYZJGN-XMMPIXPASA-N 1 0 492.561 5.658 1 0 JKAFRO CC(C)C[C@H](CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028523728 563067000 /nfs/dbraw/zinc/06/70/00/563067000.db2.gz HVOZQNDFLSATHB-JOCHJYFZSA-N 1 0 455.474 5.480 1 0 JKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CCC[NH+]2CCC(O)CC2)c1 ZINC000028524650 563067244 /nfs/dbraw/zinc/06/72/44/563067244.db2.gz CQEKVDIALJJBIO-UHFFFAOYSA-N 1 0 485.588 5.319 1 0 JKAFRO O=S(=O)(c1ccccc1Br)n1cc([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000028525109 563067436 /nfs/dbraw/zinc/06/74/36/563067436.db2.gz AZXATNGYDIGGJK-HXUWFJFHSA-N 1 0 495.442 5.630 1 0 JKAFRO O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc2cnn(CC[NH+]3CCCC3)c2c1 ZINC000028525326 563067590 /nfs/dbraw/zinc/06/75/90/563067590.db2.gz MKWZMWRFPPUXEB-UHFFFAOYSA-N 1 0 455.562 5.355 1 0 JKAFRO O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccc2c1cnn2CC[NH+]1CCCC1 ZINC000028525630 563067663 /nfs/dbraw/zinc/06/76/63/563067663.db2.gz OQQPXDHOWXVXAA-UHFFFAOYSA-N 1 0 455.562 5.355 1 0 JKAFRO Cc1ccc(C(=O)Nc2ccccc2NC(=O)OCC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000028526273 563067837 /nfs/dbraw/zinc/06/78/37/563067837.db2.gz JYTYHAGUUXSUCI-UHFFFAOYSA-N 1 0 478.980 5.761 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccc3ncccc3c2)CC1)c1cc(Cl)ccc1NCc1nccs1 ZINC000028527085 563068083 /nfs/dbraw/zinc/06/80/83/563068083.db2.gz HCDOUMOHZABKDC-UHFFFAOYSA-N 1 0 492.048 5.351 1 0 JKAFRO O[C@H](COCc1ccccc1)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028528051 563068177 /nfs/dbraw/zinc/06/81/77/563068177.db2.gz VFDSMHHFIVMKKE-MHZLTWQESA-N 1 0 485.603 5.640 1 0 JKAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)[C@H]1Cc2ccccc2N1c1ccccc1 ZINC000028569044 563070216 /nfs/dbraw/zinc/07/02/16/563070216.db2.gz PWRGGYSBTFYLQT-GDLZYMKVSA-N 1 0 465.641 5.236 1 0 JKAFRO CCCC[NH2+]Cc1cnc([C@H](C)CC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569230 563070396 /nfs/dbraw/zinc/07/03/96/563070396.db2.gz ZFFWRUBKNVLIEV-CQSZACIVSA-N 1 0 451.455 5.588 1 0 JKAFRO CCCCCc1ccc(C(=O)N(CC[NH+]2CCCCC2)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000028604452 563071634 /nfs/dbraw/zinc/07/16/34/563071634.db2.gz LRYJBOYQSSLBDH-UHFFFAOYSA-N 1 0 460.584 6.566 1 0 JKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@H]([NH+]2CCC(c3ccccc3)CC2)C1 ZINC000028645283 563073228 /nfs/dbraw/zinc/07/32/28/563073228.db2.gz KNQRIAFMOANTIX-REWPJTCUSA-N 1 0 498.511 6.389 1 0 JKAFRO O=C1[C@@H](CC[NH+]2CCC(c3ccccc3)CC2)CCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028645262 563073232 /nfs/dbraw/zinc/07/32/32/563073232.db2.gz GGBNPTAHLPMFCL-NRFANRHFSA-N 1 0 498.511 6.342 1 0 JKAFRO Cc1ccc(C2=CC[C@H](N(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650254 563073724 /nfs/dbraw/zinc/07/37/24/563073724.db2.gz BWGKUHVGLLNUIX-FQEVSTJZSA-N 1 0 462.034 6.415 1 0 JKAFRO O=Cc1ccc(C2=CC[C@@H](N(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)o1 ZINC000028650235 563073783 /nfs/dbraw/zinc/07/37/83/563073783.db2.gz YHIPIFFZCVVRPO-LJQANCHMSA-N 1 0 459.949 5.450 1 0 JKAFRO O=C(OCCCC[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000028650644 563073845 /nfs/dbraw/zinc/07/38/45/563073845.db2.gz XOLJQOANRCUANC-UHFFFAOYSA-N 1 0 478.032 6.548 1 0 JKAFRO C[NH2+][C@H]1CCCC[C@@H]1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000028702488 563074603 /nfs/dbraw/zinc/07/46/03/563074603.db2.gz CQVZQGJMJODCOE-PMACEKPBSA-N 1 0 477.823 5.760 1 0 JKAFRO Nc1nc([C@@H](CC[NH+]2CCCCC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702699 563074663 /nfs/dbraw/zinc/07/46/63/563074663.db2.gz XFVWAKPKFXKTQB-MRXNPFEDSA-N 1 0 494.505 5.039 1 0 JKAFRO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(OC[C@@H](C)[NH+]4CCN(C)CC4)c3)nnc2c1 ZINC000028702865 563074766 /nfs/dbraw/zinc/07/47/66/563074766.db2.gz RUSDJHGJLODJFG-HSZRJFAPSA-N 1 0 496.659 5.375 1 0 JKAFRO Cc1cccc(C)c1-c1cc(N)c2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nnc2c1 ZINC000028702883 563074777 /nfs/dbraw/zinc/07/47/77/563074777.db2.gz FMQNYNBEKBQIGP-UHFFFAOYSA-N 1 0 454.578 5.109 1 0 JKAFRO [NH3+]CCCCOc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2NC(=O)C3)cc1Cl ZINC000028704121 563075176 /nfs/dbraw/zinc/07/51/76/563075176.db2.gz HCMQFWIBKORWKU-UHFFFAOYSA-N 1 0 483.999 6.348 1 0 JKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(NC(=O)Nc3ccc(-c4ccccc4Cl)s3)CC1)=CC2 ZINC000028708690 563075862 /nfs/dbraw/zinc/07/58/62/563075862.db2.gz DMQITEVZZIIBEU-RXVVDRJESA-N 1 0 470.082 6.647 1 0 JKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](Cc3cccc(Oc4cccc(C(F)(F)F)c4)c3)CC2)c1 ZINC000028710580 563076183 /nfs/dbraw/zinc/07/61/83/563076183.db2.gz RQFGRKWTNDBOJO-UHFFFAOYSA-N 1 0 496.573 7.472 1 0 JKAFRO O=C(NC[C@H]1C[C@@H]1C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1 ZINC000028711347 563076365 /nfs/dbraw/zinc/07/63/65/563076365.db2.gz KRMPDMJUDCQCAJ-FGZHOGPDSA-N 1 0 495.454 5.244 1 0 JKAFRO Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000028711918 563076697 /nfs/dbraw/zinc/07/66/97/563076697.db2.gz ZWJUVKLTZNPXPZ-QFIPXVFZSA-N 1 0 498.070 6.957 1 0 JKAFRO Fc1ccc(C(OCC[N@H+]2C[C@H]3C[C@@H](C2)N3C/C=C/c2ccccc2)c2ccc(F)cc2)cc1 ZINC000028713796 563077358 /nfs/dbraw/zinc/07/73/58/563077358.db2.gz LDVNXMRAAOQBES-OMAUPUIOSA-N 1 0 460.568 5.543 1 0 JKAFRO CC[NH2+]Cc1cc(Nc2cc(C)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)ccc1OC ZINC000028760402 563078134 /nfs/dbraw/zinc/07/81/34/563078134.db2.gz TWTCQPASYKCATG-UHFFFAOYSA-N 1 0 472.380 5.573 1 0 JKAFRO COc1ccc2c(c1)OCC(c1ccc(F)cc1)=C2c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000028762231 563078238 /nfs/dbraw/zinc/07/82/38/563078238.db2.gz NWQQABYDLWMYKC-UHFFFAOYSA-N 1 0 459.561 6.051 1 0 JKAFRO CC[N@H+](CCCCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2cc(OC)ccc2C1 ZINC000028765462 563078601 /nfs/dbraw/zinc/07/86/01/563078601.db2.gz QWISOXIJIYRLTQ-XMMPIXPASA-N 1 0 469.622 5.309 1 0 JKAFRO CCCCN[C@H](c1c(Cl)cccc1Cl)[C@@H]([NH2+]CCCC)c1c(Cl)cccc1Cl ZINC000028764695 563078606 /nfs/dbraw/zinc/07/86/06/563078606.db2.gz DXNSSGMGCRRGKI-SZPZYZBQSA-N 1 0 462.292 7.862 1 0 JKAFRO CC[N@H+](CCCCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2cc(OC)c(OC)cc2C1 ZINC000028766400 563078706 /nfs/dbraw/zinc/07/87/06/563078706.db2.gz SAAVIAOTXCKBJH-XMMPIXPASA-N 1 0 499.648 5.318 1 0 JKAFRO Fc1ccc(N2CC[NH+](Cc3ccc(Nc4ccnc5cc(C(F)(F)F)ccc54)cc3)CC2)cc1 ZINC000028768666 563078985 /nfs/dbraw/zinc/07/89/85/563078985.db2.gz MSGJTWJFHXBYLF-UHFFFAOYSA-N 1 0 480.509 6.459 1 0 JKAFRO CC[NH+](CC)[C@H]1CCC[C@@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc32)C1 ZINC000028771865 563079141 /nfs/dbraw/zinc/07/91/41/563079141.db2.gz DIBRGGRQKLOHNR-AEFFLSMTSA-N 1 0 458.437 6.745 1 0 JKAFRO CC[NH+](CC)[C@@H]1CCC[C@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc32)C1 ZINC000028771868 563079158 /nfs/dbraw/zinc/07/91/58/563079158.db2.gz DIBRGGRQKLOHNR-FUHWJXTLSA-N 1 0 458.437 6.745 1 0 JKAFRO CC[NH+](CC)C1CCC(Nc2nc3ccccc3c(Nc3cccc(Br)c3)n2)CC1 ZINC000028772275 563079292 /nfs/dbraw/zinc/07/92/92/563079292.db2.gz HVNJYMZVQKDSNG-UHFFFAOYSA-N 1 0 468.443 6.201 1 0 JKAFRO CN1CC[NH+](CCCCOc2ccc(C3O[C@@H](c4ccccc4)[C@H](c4ccccc4)O3)cc2)CC1 ZINC000028816326 563079543 /nfs/dbraw/zinc/07/95/43/563079543.db2.gz SSLJAYIRKBZYRD-VMPREFPWSA-N 1 0 472.629 5.621 1 0 JKAFRO C[NH+]1CCN(CCCOc2ccc(C3O[C@H](c4ccc(F)cc4)[C@@H](c4ccc(F)cc4)O3)cc2)CC1 ZINC000028816258 563079584 /nfs/dbraw/zinc/07/95/84/563079584.db2.gz AFRTYNAGIRJBPZ-VSGBNLITSA-N 1 0 494.582 5.509 1 0 JKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(NCc2ccc(Cl)cc2Cl)nc2nc[nH]c21 ZINC000028817823 563079901 /nfs/dbraw/zinc/07/99/01/563079901.db2.gz XVBLMXQFTOOAKN-CQSZACIVSA-N 1 0 450.418 5.194 1 0 JKAFRO CCn1cnc2nc(N[C@H](C)CCC[NH+](CC)CC)nc(NCc3ccc(Cl)cc3Cl)c21 ZINC000028817830 563079959 /nfs/dbraw/zinc/07/99/59/563079959.db2.gz KYJYDKPVBKOMAV-MRXNPFEDSA-N 1 0 478.472 5.688 1 0 JKAFRO COc1ccccc1N1CC[NH+](CCCC[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000028820018 563080467 /nfs/dbraw/zinc/08/04/67/563080467.db2.gz ZIRYRORSOPJCRQ-SKQAHVGISA-N 1 0 479.709 5.195 1 0 JKAFRO COc1ccc(N2Cc3cc(Cl)c(C)c(Cl)c3C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000028819812 563080490 /nfs/dbraw/zinc/08/04/90/563080490.db2.gz VBUNLDDXAPTFKF-UHFFFAOYSA-N 1 0 463.405 5.582 1 0 JKAFRO COc1ccc(N2Cc3c(c(C(F)(F)F)ccc3F)C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000028819792 563080530 /nfs/dbraw/zinc/08/05/30/563080530.db2.gz XRQFPQYRQPBQCP-UHFFFAOYSA-N 1 0 466.475 5.124 1 0 JKAFRO C[N@H+](Cc1ccccc1)Cc1ccc(CN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 ZINC000028821660 563080714 /nfs/dbraw/zinc/08/07/14/563080714.db2.gz BTRZZZIDRSFEJR-UHFFFAOYSA-N 1 0 490.594 8.140 1 0 JKAFRO O[C@@H]1CC[N@H+](Cc2ccc(CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)C1 ZINC000028821664 563080729 /nfs/dbraw/zinc/08/07/29/563080729.db2.gz VVFXZVXUOOVAMA-HXUWFJFHSA-N 1 0 456.533 6.075 1 0 JKAFRO CC(C)[N@H+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(N[C@@H](C)c2ccccc2)n1 ZINC000028822145 563080922 /nfs/dbraw/zinc/08/09/22/563080922.db2.gz QCQYNGRBBRXDCO-NRFANRHFSA-N 1 0 494.618 6.611 1 0 JKAFRO Fc1ccc(Br)cc1-c1nc2nccnc2c(N(Cc2ccccc2)c2cc[nH+]cc2)n1 ZINC000028822260 563081016 /nfs/dbraw/zinc/08/10/16/563081016.db2.gz BFBGTYKSXQIMMN-UHFFFAOYSA-N 1 0 487.336 5.722 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccncc2)CN(C(=O)C2CCCC2)CC3)c1 ZINC000028823015 563081495 /nfs/dbraw/zinc/08/14/95/563081495.db2.gz NENDTQVPHSVAAD-HSZRJFAPSA-N 1 0 484.688 5.704 1 0 JKAFRO [NH3+][C@H]1CCC[C@@H](N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000028826308 563082430 /nfs/dbraw/zinc/08/24/30/563082430.db2.gz NSMZJUKYUMIAJD-NYGIBDDFSA-N 1 0 450.026 5.869 1 0 JKAFRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1Cc2ccccc2[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000028827047 563082765 /nfs/dbraw/zinc/08/27/65/563082765.db2.gz FIZLAMUFFLKTOQ-LUPFDQBXSA-N 1 0 464.502 5.752 1 0 JKAFRO CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4nc(CN5CCOCC5)cs4)ccc32)cc1 ZINC000028827091 563082860 /nfs/dbraw/zinc/08/28/60/563082860.db2.gz UOWNRACHYJYUBG-XMMPIXPASA-N 1 0 467.660 5.067 1 0 JKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000028827101 563082932 /nfs/dbraw/zinc/08/29/32/563082932.db2.gz SFGYYAJTKKIMHJ-UHFFFAOYSA-N 1 0 456.565 5.235 1 0 JKAFRO O=C(/C=C/c1ccccc1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863221 563083472 /nfs/dbraw/zinc/08/34/72/563083472.db2.gz WASNBIZAEJVKCE-VXYDRHHYSA-N 1 0 491.675 7.218 1 0 JKAFRO O=C(NCCCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cccs1 ZINC000028869780 563084045 /nfs/dbraw/zinc/08/40/45/563084045.db2.gz CUKXVIBQJUBHRB-VWLOTQADSA-N 1 0 468.066 5.319 1 0 JKAFRO O=C(NCCCCN1CCC[N@@H+](C(c2ccccc2)c2ccccc2)CC1)c1cc2ccccc2s1 ZINC000028869830 563084059 /nfs/dbraw/zinc/08/40/59/563084059.db2.gz ORDQHUBWYZCTMA-UHFFFAOYSA-N 1 0 497.708 6.209 1 0 JKAFRO Cc1cnccc1CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC1=CC3=CC[C@@H]([NH+](C)C)C[C@]34CC[C@@]12O4 ZINC000028872556 563084209 /nfs/dbraw/zinc/08/42/09/563084209.db2.gz XWJPSPMNDHNLFX-JYZYKGANSA-N 1 0 460.706 6.663 1 0 JKAFRO COc1ccc2nccc([C@@H]3CN(C[C@H]4CCC[N@H+](Cc5cc6ccccc6[nH]5)C4)C(=O)O3)c2c1 ZINC000028892398 563085180 /nfs/dbraw/zinc/08/51/80/563085180.db2.gz OBRNQODSNCZSMH-PPHZAIPVSA-N 1 0 470.573 5.130 1 0 JKAFRO COc1ccc2nccc([C@@H]3CN(C[C@@H]4CCC[N@H+](Cc5cc6ccccc6[nH]5)C4)C(=O)O3)c2c1 ZINC000028892388 563085197 /nfs/dbraw/zinc/08/51/97/563085197.db2.gz OBRNQODSNCZSMH-WINIVTDRSA-N 1 0 470.573 5.130 1 0 JKAFRO COc1ccc2nccc([C@@H]3CN([C@@H]4CCCC[N@H+](Cc5cc6ccccc6[nH]5)C4)C(=O)O3)c2c1 ZINC000028892440 563085276 /nfs/dbraw/zinc/08/52/76/563085276.db2.gz ICBYBDKMACZOTP-ZBLYBZFDSA-N 1 0 470.573 5.273 1 0 JKAFRO CN1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2cc(Cl)ccc2Cl)C1 ZINC000028893075 563085301 /nfs/dbraw/zinc/08/53/01/563085301.db2.gz KRWTTWQHPPVRDH-HSZRJFAPSA-N 1 0 451.413 5.774 1 0 JKAFRO COc1ccc2nccc([C@H]3CN(C4CC[NH+](Cc5cc6ccccc6s5)CC4)C(=O)O3)c2c1 ZINC000028893404 563085421 /nfs/dbraw/zinc/08/54/21/563085421.db2.gz OMCPFDYSAAARCE-RUZDIDTESA-N 1 0 473.598 5.616 1 0 JKAFRO COc1ccc2nccc([C@@H]3CN(C4CC[NH+](Cc5cc6ccccc6o5)CC4)C(=O)O3)c2c1 ZINC000028893390 563085446 /nfs/dbraw/zinc/08/54/46/563085446.db2.gz NEBVJGRFYWCFPT-SANMLTNESA-N 1 0 457.530 5.148 1 0 JKAFRO CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@H](C)c3ccco3)sc21 ZINC000028901674 563086132 /nfs/dbraw/zinc/08/61/32/563086132.db2.gz OHECYBQYNPYFOO-KRWDZBQOSA-N 1 0 498.048 5.495 1 0 JKAFRO CCC[N@H+](CCc1ccccc1)Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903736 563086483 /nfs/dbraw/zinc/08/64/83/563086483.db2.gz KHQLDBMDSYKBOP-UHFFFAOYSA-N 1 0 486.063 6.707 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CC[C@@H](CCc2ccccc2)C1 ZINC000028903809 563086541 /nfs/dbraw/zinc/08/65/41/563086541.db2.gz PBEQQVOUDMAYFD-XMMPIXPASA-N 1 0 498.074 6.707 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000028957555 563088454 /nfs/dbraw/zinc/08/84/54/563088454.db2.gz JWRQJBWDKYCZPV-ONNFQVAWSA-N 1 0 465.852 6.436 1 0 JKAFRO COc1ccc(C2CC[NH+](CCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000028957565 563088465 /nfs/dbraw/zinc/08/84/65/563088465.db2.gz RTSBRMGHFLNXEN-VZUCSPMQSA-N 1 0 461.433 5.791 1 0 JKAFRO COc1cccc(C2CC[NH+](CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)c1 ZINC000028957813 563088501 /nfs/dbraw/zinc/08/85/01/563088501.db2.gz YOCTWKPPDOTNOP-SOFGYWHQSA-N 1 0 487.471 6.133 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@H]3CC[C@H](NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 ZINC000028957854 563088569 /nfs/dbraw/zinc/08/85/69/563088569.db2.gz SRWUYSGGMLUKLS-LDBDZHMPSA-N 1 0 487.471 6.180 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 ZINC000028957868 563088574 /nfs/dbraw/zinc/08/85/74/563088574.db2.gz VGGAERSVYZEQQX-XJXOZCEMSA-N 1 0 454.561 5.151 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 ZINC000028957877 563088581 /nfs/dbraw/zinc/08/85/81/563088581.db2.gz WTRAKJGFQMWFED-JRIRUICCSA-N 1 0 472.551 5.290 1 0 JKAFRO O=C(/C=C/c1cc(F)cc(F)c1)N[C@H]1CC[C@H](C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)C1 ZINC000028957892 563088589 /nfs/dbraw/zinc/08/85/89/563088589.db2.gz JNBDHNIJUIUTOU-VEIBGHRRSA-N 1 0 460.515 5.421 1 0 JKAFRO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1 ZINC000028959598 563088851 /nfs/dbraw/zinc/08/88/51/563088851.db2.gz UOJGKFVUZMGEMF-FQEVSTJZSA-N 1 0 469.478 5.382 1 0 JKAFRO O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NC(=O)C3CCCC3)sc2c1 ZINC000028967641 563089450 /nfs/dbraw/zinc/08/94/50/563089450.db2.gz JXMCNJRFCGNBKS-UHFFFAOYSA-N 1 0 472.614 5.098 1 0 JKAFRO Fc1ccc(C(OCCN2CC[NH+](CC34CC5CC(CC(C5)C3)C4)CC2)c2ccc(F)cc2)cc1 ZINC000028967233 563089498 /nfs/dbraw/zinc/08/94/98/563089498.db2.gz OHRKBQFWESEFTG-UHFFFAOYSA-N 1 0 480.643 5.905 1 0 JKAFRO O=C(CC[NH2+]Cc1ccc(-c2ccccc2)cc1)Nc1ccc2nc(NC(=O)C3CCCC3)sc2c1 ZINC000028967713 563089577 /nfs/dbraw/zinc/08/95/77/563089577.db2.gz XZZBKAIDPAWXQU-UHFFFAOYSA-N 1 0 498.652 6.210 1 0 JKAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCc4c[nH]cn4)cc3)nc2n1 ZINC000028980013 563090405 /nfs/dbraw/zinc/09/04/05/563090405.db2.gz HUGJYXBFDDAZEO-UHFFFAOYSA-N 1 0 452.587 5.136 1 0 JKAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCc4nccs4)cc3)nc2n1 ZINC000028980019 563090448 /nfs/dbraw/zinc/09/04/48/563090448.db2.gz ZKGZBXPPWINVIJ-UHFFFAOYSA-N 1 0 469.639 5.870 1 0 JKAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCCn4ccnc4)cc3)nc2n1 ZINC000028980026 563090527 /nfs/dbraw/zinc/09/05/27/563090527.db2.gz ZOGXVEIGBUMVTR-UHFFFAOYSA-N 1 0 466.614 5.457 1 0 JKAFRO O=C(Cc1c[nH]c2ccc(Br)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1 ZINC000029042831 563091914 /nfs/dbraw/zinc/09/19/14/563091914.db2.gz ZISXRRHFZTYUBC-RDGATRHJSA-N 1 0 480.450 5.344 1 0 JKAFRO O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3ccc4c(c3)CCC4)ccc21 ZINC000029048567 563092711 /nfs/dbraw/zinc/09/27/11/563092711.db2.gz DSZYHHLLCSBGGF-CEUNXORHSA-N 1 0 492.623 5.628 1 0 JKAFRO Cc1ccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)NC3=O)cc1 ZINC000029049455 563092876 /nfs/dbraw/zinc/09/28/76/563092876.db2.gz JJUUEVWWXUDQCO-IMRQLAEWSA-N 1 0 466.585 5.448 1 0 JKAFRO COc1cccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)NC3=O)c1 ZINC000029049306 563092879 /nfs/dbraw/zinc/09/28/79/563092879.db2.gz GPGAVPURZYDROK-IMRQLAEWSA-N 1 0 482.584 5.148 1 0 JKAFRO Cc1ccccc1Nc1ccc2c(c1)C(=CNc1ccc(C[NH+]3CCCCC3)cc1)C(=O)NC2=O ZINC000029049643 563092881 /nfs/dbraw/zinc/09/28/81/563092881.db2.gz HZXWDVXKGDEDLY-ITYLOYPMSA-N 1 0 466.585 5.448 1 0 JKAFRO CC[C@]1(CCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)c(Cl)cc21 ZINC000029055342 563093598 /nfs/dbraw/zinc/09/35/98/563093598.db2.gz UGUFLBWATQHHEI-XMMPIXPASA-N 1 0 464.412 5.725 1 0 JKAFRO Cc1ccc([C@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4NC3=O)[C@]23CC[C@@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000029127101 563095441 /nfs/dbraw/zinc/09/54/41/563095441.db2.gz JFUBHBTZKIOMIU-HMINTENPSA-N 1 0 489.619 5.331 1 0 JKAFRO Fc1ccc(C[C@@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CC[N@@H+](Cc2ccccn2)C3)cc1 ZINC000029128118 563096045 /nfs/dbraw/zinc/09/60/45/563096045.db2.gz ZJBUZFTUQSSYEH-LJAQVGFWSA-N 1 0 468.551 5.620 1 0 JKAFRO Clc1cccc(-n2nc(-c3ccc(OCc4ccccc4)cc3)n[n+]2-c2cccc(Cl)c2)c1 ZINC000029131607 563097243 /nfs/dbraw/zinc/09/72/43/563097243.db2.gz GYFWWARMIIBAJC-UHFFFAOYSA-N 1 0 474.371 6.097 1 0 JKAFRO C[C@@H](NC(=O)CCCCCCCCCCCCCCC[n+]1ccccc1)[C@@H](O)c1ccccc1 ZINC000029132278 563097283 /nfs/dbraw/zinc/09/72/83/563097283.db2.gz LTENFDLDAZMGHP-POURPWNDSA-O 1 0 467.718 6.674 1 0 JKAFRO COc1ccccc1Oc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3ccncc3)CC2)CC1 ZINC000029133668 563097626 /nfs/dbraw/zinc/09/76/26/563097626.db2.gz WWTXVMIWFBVHQA-UHFFFAOYSA-N 1 0 471.601 5.401 1 0 JKAFRO Cc1cc(C)cc(NCc2ccc3nc(NC4CC[NH+](C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134458 563097899 /nfs/dbraw/zinc/09/78/99/563097899.db2.gz JOIHEMQQGFZZCK-UHFFFAOYSA-N 1 0 484.648 5.229 1 0 JKAFRO O=C(OCc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1 ZINC000029202981 563098210 /nfs/dbraw/zinc/09/82/10/563098210.db2.gz AVLVAUANAZZZAY-WDYNHAJCSA-N 1 0 451.566 5.859 1 0 JKAFRO C[N@@H+]1CCC[C@@H]1CCNc1nc(Nc2cc(Cl)cc(Cl)c2)nc2ccc(Cl)cc21 ZINC000029205413 563098287 /nfs/dbraw/zinc/09/82/87/563098287.db2.gz AAGMYQOBOJWJTB-QGZVFWFLSA-N 1 0 450.801 6.230 1 0 JKAFRO c1ccc(COCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1 ZINC000029204162 563098314 /nfs/dbraw/zinc/09/83/14/563098314.db2.gz GJILJTBTLYHBPL-JSOSNVBQSA-N 1 0 467.609 6.098 1 0 JKAFRO Cc1cc(O)cc2c1C(=O)[C@@H](c1ccc(O)cc1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000029215330 563098685 /nfs/dbraw/zinc/09/86/85/563098685.db2.gz AHXXHWFYNAUTSS-XRKRLSELSA-N 1 0 473.569 5.371 1 0 JKAFRO COc1cc([C@@H]2C(=O)c3ccc(O)cc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)ccc1O ZINC000029218837 563098776 /nfs/dbraw/zinc/09/87/76/563098776.db2.gz HOVJTHCFFRUYFF-XRKRLSELSA-N 1 0 489.568 5.071 1 0 JKAFRO Cc1cc([C@@H]2C(=O)c3ccc(O)cc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc(C)c1O ZINC000029219011 563098802 /nfs/dbraw/zinc/09/88/02/563098802.db2.gz GLJYIOVHFSESHE-POURPWNDSA-N 1 0 487.596 5.680 1 0 JKAFRO CCc1cc(O)cc2c1C(=O)[C@@H](c1ccc(O)cc1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000029218651 563098813 /nfs/dbraw/zinc/09/88/13/563098813.db2.gz YGWROZRRAWJTFM-PQHLKRTFSA-N 1 0 487.596 5.625 1 0 JKAFRO O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CC[NH2+]C[C@@H]3c3ccccn3)cc12 ZINC000029322303 563100263 /nfs/dbraw/zinc/10/02/63/563100263.db2.gz FOTDOIGKSDTJRO-HHHXNRCGSA-N 1 0 483.612 5.441 1 0 JKAFRO COc1ccccc1CC(=[NH2+])N1C[C@H]2C(=O)CSC(c3ccccc3)(c3ccccc3)[C@@H]2C1 ZINC000029340306 563100951 /nfs/dbraw/zinc/10/09/51/563100951.db2.gz AEGBWONMUPOGGH-DNQXCXABSA-N 1 0 456.611 5.023 1 0 JKAFRO O=C(c1ccc2ccccc2c1)N1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C[C@H]1Cc1ccccc1 ZINC000029392989 563101832 /nfs/dbraw/zinc/10/18/32/563101832.db2.gz WGTWUAXSBCFCDA-XZWHSSHBSA-N 1 0 485.631 6.394 1 0 JKAFRO Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4-c4ccccc4)C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000029405058 563102771 /nfs/dbraw/zinc/10/27/71/563102771.db2.gz XZBLPOKMIVGXML-SSHYCOHZSA-N 1 0 490.603 5.035 1 0 JKAFRO O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029481371 563105341 /nfs/dbraw/zinc/10/53/41/563105341.db2.gz FEJSQSVDLOCWGH-UHFFFAOYSA-N 1 0 486.487 6.573 1 0 JKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000029483355 563105436 /nfs/dbraw/zinc/10/54/36/563105436.db2.gz CHPBPAYRBKNDQA-AREMUKBSSA-N 1 0 457.662 6.971 1 0 JKAFRO O=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000029483737 563105499 /nfs/dbraw/zinc/10/54/99/563105499.db2.gz CVHINDLMSLFBID-UHFFFAOYSA-N 1 0 458.433 6.254 1 0 JKAFRO O=C(/C=C/c1ccccc1Cl)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029483965 563105504 /nfs/dbraw/zinc/10/55/04/563105504.db2.gz VUDHNYJYQLQWKK-OUKQBFOZSA-N 1 0 450.026 6.001 1 0 JKAFRO CCC[C@@H](O)C1CC[NH+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029556360 563106676 /nfs/dbraw/zinc/10/66/76/563106676.db2.gz YYHURHAIRKRIMY-JYFHCDHNSA-N 1 0 491.503 6.112 1 0 JKAFRO OC(CC[N@@H+]1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)(c1ccccc1)c1ccccc1 ZINC000029559940 563106908 /nfs/dbraw/zinc/10/69/08/563106908.db2.gz URCYATFOBKERTP-VEEOACQBSA-N 1 0 496.601 6.601 1 0 JKAFRO C[C@@H](O)C1CC[NH+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029560885 563106994 /nfs/dbraw/zinc/10/69/94/563106994.db2.gz PEWKICBBWGQLAD-XMSQKQJNSA-N 1 0 463.449 5.332 1 0 JKAFRO COc1ccc(OC)c(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1 ZINC000029565608 563107386 /nfs/dbraw/zinc/10/73/86/563107386.db2.gz CBEBYDUPXCEZQC-UHFFFAOYSA-N 1 0 488.607 5.360 1 0 JKAFRO CC[NH+](CC)CCOc1ccc(/C(=C(/Cl)c2ccc(O)c(OC)c2)c2ccccc2)cc1 ZINC000029568060 563107539 /nfs/dbraw/zinc/10/75/39/563107539.db2.gz BVEUNJHCBSAFKG-CYYJNZCTSA-N 1 0 451.994 6.277 1 0 JKAFRO Cc1cc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)ccc1O ZINC000029568564 563107561 /nfs/dbraw/zinc/10/75/61/563107561.db2.gz FGHCPLVGQLEUSC-UHFFFAOYSA-N 1 0 458.581 5.357 1 0 JKAFRO O=C(CCC[NH+]1CCC(Nc2nc3cccnc3n2Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000029567581 563107564 /nfs/dbraw/zinc/10/75/64/563107564.db2.gz XQJYIMNSODJKOR-UHFFFAOYSA-N 1 0 489.570 5.297 1 0 JKAFRO CCCC[NH2+]C[C@@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)c2)c1 ZINC000032025560 563109293 /nfs/dbraw/zinc/10/92/93/563109293.db2.gz SKPFBHQTNBMROY-HSZRJFAPSA-N 1 0 482.468 6.876 1 0 JKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCc1c(C)cccc1C ZINC000032011543 563109294 /nfs/dbraw/zinc/10/92/94/563109294.db2.gz KKTKDAFNGGNVLM-QHCPKHFHSA-N 1 0 463.666 6.500 1 0 JKAFRO C[N@@H+]1CCCC[C@H]1CNc1nc(-c2ccc(Cl)c(Cl)c2)nc(C(Cl)(Cl)Cl)n1 ZINC000032251660 563109650 /nfs/dbraw/zinc/10/96/50/563109650.db2.gz HKEPPBSAECZRMA-NSHDSACASA-N 1 0 469.631 5.568 1 0 JKAFRO O[C@H]1C[C@H]2CCCCCC[C@@H]3CC[N@@H+]4CCC[C@@H](CCCCCC[C@@H]5CCN(C1)[C@H]2O5)[C@@H]4O3 ZINC000032296408 563109711 /nfs/dbraw/zinc/10/97/11/563109711.db2.gz GZPZPDSNGIBVLB-SIOWMNFYSA-N 1 0 462.719 5.306 1 0 JKAFRO CCCC[N@H+](C)CCOc1ccc(Cn2c3ccc(O)cc3c(C)c2-c2ccc(O)cc2)cc1 ZINC000033971922 563111433 /nfs/dbraw/zinc/11/14/33/563111433.db2.gz UDYXSEQZOCRRKY-UHFFFAOYSA-N 1 0 458.602 6.187 1 0 JKAFRO c1ccc(C[NH2+]Cc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000034049449 563111898 /nfs/dbraw/zinc/11/18/98/563111898.db2.gz YPTODVXKEJXEET-GDLZYMKVSA-N 1 0 488.639 5.723 1 0 JKAFRO COc1ccccc1CC(=[NH2+])N1C[C@H]2[C@@H](C1)C(=O)CSC2(c1ccccc1)c1ccccc1 ZINC000034073666 563111981 /nfs/dbraw/zinc/11/19/81/563111981.db2.gz AEGBWONMUPOGGH-RPWUZVMVSA-N 1 0 456.611 5.023 1 0 JKAFRO C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c([C@@H](C[NH+](C)C)c3ccccc3)nnc21 ZINC000034187046 563112425 /nfs/dbraw/zinc/11/24/25/563112425.db2.gz SWOIADWBLRUHCX-JPYJTQIMSA-N 1 0 455.993 5.526 1 0 JKAFRO OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000034289855 563112887 /nfs/dbraw/zinc/11/28/87/563112887.db2.gz KAHMCOXDBVWXEX-UHFFFAOYSA-N 1 0 471.975 6.035 1 0 JKAFRO CCc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc(O)cc1 ZINC000034365425 563113393 /nfs/dbraw/zinc/11/33/93/563113393.db2.gz RJTYEAQEYYFOOM-UHFFFAOYSA-N 1 0 470.613 6.195 1 0 JKAFRO O=C(NCc1cccc(F)c1)NC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000034637559 563114257 /nfs/dbraw/zinc/11/42/57/563114257.db2.gz VTNWSYVFHWRNDS-UHFFFAOYSA-N 1 0 474.502 5.099 1 0 JKAFRO C[C@@H](Oc1cc(-c2ccn(C3CC[NH2+]CC3)n2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000034642961 563114344 /nfs/dbraw/zinc/11/43/44/563114344.db2.gz CCASRZWPCOLUMW-GFCCVEGCSA-N 1 0 450.345 5.038 1 0 JKAFRO O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000034802207 563115964 /nfs/dbraw/zinc/11/59/64/563115964.db2.gz PPZQHODYVASSTK-UHFFFAOYSA-N 1 0 481.974 5.552 1 0 JKAFRO CC[NH+](CC)CCCCNc1cc(-n2c3ccccc3nc2Nc2c(C)cccc2Cl)ncn1 ZINC000034803053 563116308 /nfs/dbraw/zinc/11/63/08/563116308.db2.gz INMCMWSTQIGBFV-UHFFFAOYSA-N 1 0 478.044 6.055 1 0 JKAFRO CC(C)(CC1CC1)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803890 563116321 /nfs/dbraw/zinc/11/63/21/563116321.db2.gz IRPYMAQUPRZZML-IADCTJSHSA-N 1 0 494.639 6.041 1 0 JKAFRO O=C(CCC[NH+]1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034804348 563116384 /nfs/dbraw/zinc/11/63/84/563116384.db2.gz VQLQJJXLQREOJT-UHFFFAOYSA-N 1 0 496.495 6.181 1 0 JKAFRO CC(=O)CCCCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1nc(-c2ccc3ccccc3c2)c[nH]1 ZINC000034947211 563117611 /nfs/dbraw/zinc/11/76/11/563117611.db2.gz PFMPKMYQXOCJMI-VWLOTQADSA-N 1 0 460.622 5.269 1 0 JKAFRO NC(=O)C(CCC1([NH+]2CC(Oc3cccc(O)c3)C2)CCCC1)(c1ccccc1)c1ccccc1 ZINC000034984676 563117767 /nfs/dbraw/zinc/11/77/67/563117767.db2.gz TWXXXRKOWRJDCO-UHFFFAOYSA-N 1 0 470.613 5.020 1 0 JKAFRO COc1cc(OC)c([C@H](CC[N@@H+]2CCC[C@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)cc(C)c12 ZINC000034961437 563117770 /nfs/dbraw/zinc/11/77/70/563117770.db2.gz FDCKOUVEAHEGNE-WMZHIEFXSA-N 1 0 478.633 5.439 1 0 JKAFRO CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)[NH+]1CCC(Oc2cccc(O)c2)CC1 ZINC000034984566 563117784 /nfs/dbraw/zinc/11/77/84/563117784.db2.gz RTYJOLZVELFOPY-UHFFFAOYSA-N 1 0 472.629 5.266 1 0 JKAFRO O=C1c2cccc(N3CC[NH2+]CC3)c2Oc2ccc(F)cc2N1Cc1cccc(C(F)(F)F)c1 ZINC000035834069 563120661 /nfs/dbraw/zinc/12/06/61/563120661.db2.gz UKUSBCHEZDGDHS-UHFFFAOYSA-N 1 0 471.454 5.207 1 0 JKAFRO C[NH+](C)CCOc1ccc(-c2[nH]c3ncnc(NCC4SCCS4)c3c2-c2ccccc2)cc1 ZINC000035850835 563120854 /nfs/dbraw/zinc/12/08/54/563120854.db2.gz RHDMCDPPAAUUMD-UHFFFAOYSA-N 1 0 491.686 5.450 1 0 in-vitro JKAFRO FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CC[C@@H]([NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000035935612 563121353 /nfs/dbraw/zinc/12/13/53/563121353.db2.gz HSPRYBQFUPQTHV-PKTZIBPZSA-N 1 0 471.485 6.827 1 0 JKAFRO FC(F)(F)c1cc(COC[C@@]2(c3ccccc3)CC[C@H]([NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000035935605 563121356 /nfs/dbraw/zinc/12/13/56/563121356.db2.gz HSPRYBQFUPQTHV-XZOQPEGZSA-N 1 0 471.485 6.827 1 0 JKAFRO CCOCCCO[C@@H](c1ccccc1)[C@@H]1CCCN(C(=O)N[C@H](C[NH2+]C)CC2CCCCC2)C1 ZINC000035935711 563121366 /nfs/dbraw/zinc/12/13/66/563121366.db2.gz SXTSVHBFOWFOMM-PVHODMMVSA-N 1 0 473.702 5.151 1 0 JKAFRO FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CC[C@H]([NH+]3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000035935607 563121406 /nfs/dbraw/zinc/12/14/06/563121406.db2.gz HSPRYBQFUPQTHV-GOTSBHOMSA-N 1 0 471.485 6.827 1 0 JKAFRO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000035936409 563121487 /nfs/dbraw/zinc/12/14/87/563121487.db2.gz QVLIXEZADCIAGA-YTTGMZPUSA-N 1 0 489.663 6.510 1 0 JKAFRO FC(F)(F)c1cc(COC[C@@]2(c3ccccc3)CC[C@H]([NH+]3CCOCC3)C2)cc(C(F)(F)F)c1 ZINC000035985533 563121763 /nfs/dbraw/zinc/12/17/63/563121763.db2.gz KNSNLGZARQKZRO-XZOQPEGZSA-N 1 0 487.484 6.064 1 0 JKAFRO C[C@@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000036175783 563123169 /nfs/dbraw/zinc/12/31/69/563123169.db2.gz ORZWARALBUUIKG-QHCPKHFHSA-N 1 0 464.631 5.508 1 0 JKAFRO C[C@@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175817 563123174 /nfs/dbraw/zinc/12/31/74/563123174.db2.gz XSWAREIQLKWHDM-QFIPXVFZSA-N 1 0 499.076 6.161 1 0 JKAFRO c1coc(CNc2ccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3c2)c1 ZINC000036241944 563124801 /nfs/dbraw/zinc/12/48/01/563124801.db2.gz CSJUXMSRJYHFAV-UHFFFAOYSA-N 1 0 495.631 5.766 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000036285900 563125361 /nfs/dbraw/zinc/12/53/61/563125361.db2.gz MRZJRIAYJVBIBG-QFIPXVFZSA-N 1 0 453.593 5.760 1 0 JKAFRO CO/C(=C\C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000036311436 563125699 /nfs/dbraw/zinc/12/56/99/563125699.db2.gz NAQKKRDQKSXZSM-DQUVZLBQSA-N 1 0 464.437 5.786 1 0 JKAFRO COc1ccccc1C[NH2+][C@H]1C2CCN(CC2)[C@H]1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000036323643 563125780 /nfs/dbraw/zinc/12/57/80/563125780.db2.gz WCOQELYASVJLJH-NSOVKSMOSA-N 1 0 481.467 6.387 1 0 JKAFRO O=c1[nH]cc(C[NH2+][C@@H]2CC[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H]2c2ccccc2)[nH]1 ZINC000036324444 563125910 /nfs/dbraw/zinc/12/59/10/563125910.db2.gz KTYSLTJQOIHOCO-HKBOAZHASA-N 1 0 499.455 5.774 1 0 JKAFRO CCCn1c2ccc(NC(=O)Nc3ccc(C)cc3)cc2c2c3c(c4c(c21)CC(C=[NH2+])=CC4)C(=O)NC3 ZINC000036338901 563126445 /nfs/dbraw/zinc/12/64/45/563126445.db2.gz ACZUPBJBDZROIE-UHFFFAOYSA-N 1 0 491.595 6.075 1 0 JKAFRO Cn1cc(-c2ccc(N3CC[C@H]([NH+](C)C)C3)nc2)c(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc21 ZINC000036351528 563126888 /nfs/dbraw/zinc/12/68/88/563126888.db2.gz SIBZEQKWAZXRSW-QFIPXVFZSA-N 1 0 492.545 5.427 1 0 JKAFRO O=C(CCC[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000036351462 563126892 /nfs/dbraw/zinc/12/68/92/563126892.db2.gz GTVHXLDACMVUIE-UHFFFAOYSA-N 1 0 457.570 5.026 1 0 JKAFRO C[NH+](C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(OC(F)(F)F)cc5)ccc4c3=O)cn2)C1 ZINC000036351532 563126900 /nfs/dbraw/zinc/12/69/00/563126900.db2.gz XYQYXLDNDZGLOY-HXUWFJFHSA-N 1 0 495.501 5.561 1 0 JKAFRO C[NH+](C)[C@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(Br)cc5)ccc4c3=O)cn2)C1 ZINC000036351619 563126948 /nfs/dbraw/zinc/12/69/48/563126948.db2.gz WVSHVBGLHZFHAA-NRFANRHFSA-N 1 0 490.401 5.425 1 0 JKAFRO COC(=O)C1=C(C)N(Cc2ccccc2)C(=[NH+]CC(C)C)N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036381694 563127789 /nfs/dbraw/zinc/12/77/89/563127789.db2.gz DGLPNOOSWZMZEH-QFIPXVFZSA-N 1 0 459.512 5.311 3 0 JKAFRO CCCCc1c2c(cc3[n+]1CCc1cc4c(cc1-3)OCO4)c(Br)cc(OC)c2OC ZINC000036447196 563130230 /nfs/dbraw/zinc/13/02/30/563130230.db2.gz WQAVPZUQDUPELN-UHFFFAOYSA-N 1 0 471.371 5.201 1 0 JKAFRO Cc1sc(C(=O)CCc2cc(C)c(OCCC[NH2+]CCO)c(C)c2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000036479030 563130545 /nfs/dbraw/zinc/13/05/45/563130545.db2.gz QDJPIRWQSWIPQB-ZJSXRUAMSA-N 1 0 455.664 5.135 1 0 JKAFRO CCCO[C@@H]1C[N@H+](C)CCN1c1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1 ZINC000037858304 563130835 /nfs/dbraw/zinc/13/08/35/563130835.db2.gz FBTDGBLSXBQYMX-HHHXNRCGSA-N 1 0 496.659 5.865 1 0 JKAFRO O=C1NC[C@H](c2ccc(C(F)(F)F)cc2)C12CC[NH+](C1(c3ccc(F)cc3)CCCCC1)CC2 ZINC000038147576 563131817 /nfs/dbraw/zinc/13/18/17/563131817.db2.gz FTOXYKIABNPIDL-HSZRJFAPSA-N 1 0 474.542 6.000 1 0 JKAFRO C[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@](c3cccc(O)c3)(C1)[C@@H](C)C[N@@H+]2CCCc1ccccc1)c1ccccc1 ZINC000038147761 563131917 /nfs/dbraw/zinc/13/19/17/563131917.db2.gz BSPKGUQPAQURPI-IICWZJEXSA-N 1 0 496.695 6.056 1 0 JKAFRO C[NH+](C)C[C@@H]1CCc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2C1 ZINC000038149695 563132071 /nfs/dbraw/zinc/13/20/71/563132071.db2.gz MLELJHRGOKUEGH-MRXNPFEDSA-N 1 0 450.007 5.434 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(C[NH+]3CCCCC3)ccc2c1 ZINC000038149734 563132226 /nfs/dbraw/zinc/13/22/26/563132226.db2.gz UUZGQDHCPMCNHE-UHFFFAOYSA-N 1 0 487.028 6.302 1 0 JKAFRO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)CN(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000038217840 563133399 /nfs/dbraw/zinc/13/33/99/563133399.db2.gz DKVOGZPCCPBBPU-XIFFEERXSA-N 1 0 489.663 6.375 1 0 JKAFRO COc1ccc(C(=O)O[C@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1OC ZINC000038226642 563133401 /nfs/dbraw/zinc/13/34/01/563133401.db2.gz OZGNRFCBGBCSNJ-NSOVKSMOSA-N 1 0 457.570 5.156 1 0 JKAFRO COc1ccccc1NC(=S)N[C@@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000038255020 563133553 /nfs/dbraw/zinc/13/35/53/563133553.db2.gz PVIGSSNGUGUCED-KAYWLYCHSA-N 1 0 457.643 5.277 1 0 JKAFRO Cc1c2cc(F)ccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc(O)cc1 ZINC000038403947 563134340 /nfs/dbraw/zinc/13/43/40/563134340.db2.gz IPCBICMFFHDIIG-UHFFFAOYSA-N 1 0 458.577 6.374 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCC(C)CC3)cc2)c1-c1ccc(O)cc1 ZINC000038405488 563134369 /nfs/dbraw/zinc/13/43/69/563134369.db2.gz IRJAERPTWHZZOI-UHFFFAOYSA-N 1 0 470.613 6.187 1 0 JKAFRO O=C(CSC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000038432214 563134478 /nfs/dbraw/zinc/13/44/78/563134478.db2.gz TZAHWEACXUCREL-PKOBYXMFSA-N 1 0 492.632 6.832 1 0 JKAFRO Cc1c(Br)c(C(F)F)sc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000038909296 563135715 /nfs/dbraw/zinc/13/57/15/563135715.db2.gz NWXXPGVWBCQODO-UHFFFAOYSA-N 1 0 456.356 5.190 1 0 JKAFRO CC(C)=C1CCN=C1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@H](O)[C@@H]([NH+](C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000038910473 563135717 /nfs/dbraw/zinc/13/57/17/563135717.db2.gz VIMZHTFJEDRKBC-GQYVRWDISA-N 1 0 466.754 6.674 1 0 JKAFRO COc1cccc2c(-c3ccc4c(c3OCc3ccccc3)[C@@H](C)[NH2+][C@H](C)C4)c(C)cc(OC)c12 ZINC000039145633 563136268 /nfs/dbraw/zinc/13/62/68/563136268.db2.gz FHALVTUCNXEXPF-NHCUHLMSSA-N 1 0 467.609 7.007 1 0 JKAFRO CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC[NH2+]CC)c(I)c1 ZINC000039649522 563136796 /nfs/dbraw/zinc/13/67/96/563136796.db2.gz CFVCYTDXVQNGLP-UHFFFAOYSA-N 1 0 491.369 5.599 1 0 JKAFRO CO[C@@H]1CC[C@H]1CNc1ncnc2[nH]c(-c3ccc(OCC[NH+](C)C)cc3)c(-c3ccccc3)c21 ZINC000039470901 563136827 /nfs/dbraw/zinc/13/68/27/563136827.db2.gz IZQHOXWWRDCUSH-JTHBVZDNSA-N 1 0 471.605 5.069 1 0 JKAFRO COc1ccc2c3c1O[C@@H]1[C@@H](O)[C@](C)(CCc4ccccc4)C[C@@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000040368758 563137077 /nfs/dbraw/zinc/13/70/77/563137077.db2.gz IBJQQWLIDWNHAA-MUGBZZHYSA-N 1 0 473.657 5.144 1 0 JKAFRO COc1ccc2c3c1O[C@@H]1[C@@H](O)[C@](C)(CCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000040368837 563137085 /nfs/dbraw/zinc/13/70/85/563137085.db2.gz PJOCZBOZFMFWLZ-XSWZWZAQSA-N 1 0 487.684 5.535 1 0 JKAFRO COc1ccc2c3c1O[C@@H]1[C@@H](O)[C@](C)(CCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000040368759 563137097 /nfs/dbraw/zinc/13/70/97/563137097.db2.gz IBJQQWLIDWNHAA-JEMAVMGYSA-N 1 0 473.657 5.144 1 0 JKAFRO COc1cccc(CCc2ccccc2OCCCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000040379871 563137418 /nfs/dbraw/zinc/13/74/18/563137418.db2.gz RRFOHVSSMLSIPZ-UHFFFAOYSA-N 1 0 493.091 6.505 1 0 in-vitro JKAFRO COc1cccc(CCc2ccccc2OCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000040391448 563137812 /nfs/dbraw/zinc/13/78/12/563137812.db2.gz WJOBMOSDDUOLKK-UHFFFAOYSA-N 1 0 451.010 5.335 1 0 in-vitro JKAFRO Cc1nnc(C(C)C)n1C1CC[NH+](CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1 ZINC000040392520 563137970 /nfs/dbraw/zinc/13/79/70/563137970.db2.gz SFVYQDVYAMTRIX-DEOSSOPVSA-N 1 0 487.639 5.420 1 0 JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccccc1 ZINC000040393397 563138453 /nfs/dbraw/zinc/13/84/53/563138453.db2.gz BGVYVBJDHXIDAQ-ZIVUCNTMSA-N 1 0 465.637 6.818 1 0 JKAFRO Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H]([NH2+]C[C@H]2CCOC2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040394269 563138649 /nfs/dbraw/zinc/13/86/49/563138649.db2.gz KKMZOCANRLBARO-CLOONOSVSA-N 1 0 494.557 6.026 1 0 JKAFRO COc1ccc(-c2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)NC3=O)cc1 ZINC000040412695 563140959 /nfs/dbraw/zinc/14/09/59/563140959.db2.gz QJIPVBVDKKXKDL-IMRQLAEWSA-N 1 0 467.569 5.071 1 0 JKAFRO Cc1cc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040420522 563141345 /nfs/dbraw/zinc/14/13/45/563141345.db2.gz QEPNAZQTTVMJTB-UHFFFAOYSA-N 1 0 495.067 6.166 1 0 JKAFRO CC1([NH+]2CCC(n3c4ccccc4nc3-c3cccc(C(F)(F)F)c3)CC2)CCCCCCC1 ZINC000040421025 563141481 /nfs/dbraw/zinc/14/14/81/563141481.db2.gz HQBSTEJSIZHCBP-UHFFFAOYSA-N 1 0 469.595 7.862 1 0 JKAFRO FC(F)(F)c1ccc(-n2ccc(CN3CCC([NH2+]CCOc4cccc(Cl)c4)CC3)c2)cc1 ZINC000040422027 563141758 /nfs/dbraw/zinc/14/17/58/563141758.db2.gz RTDPEIGWTJIPLT-UHFFFAOYSA-N 1 0 477.958 5.783 1 0 JKAFRO [NH3+][C@@H](CCCCN(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C1 ZINC000040423946 563142661 /nfs/dbraw/zinc/14/26/61/563142661.db2.gz PCOGZLWJDIEVOA-XIFFEERXSA-N 1 0 499.658 7.171 1 0 JKAFRO O=c1oc(-c2ccccc2)cc(-c2ccccc2)c1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000040424327 563142832 /nfs/dbraw/zinc/14/28/32/563142832.db2.gz QEWYNISBNQSJFM-UHFFFAOYSA-N 1 0 451.566 6.506 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000040429241 563143223 /nfs/dbraw/zinc/14/32/23/563143223.db2.gz AGRUIFPFWPXZNV-IRLDBZIGSA-N 1 0 478.521 6.458 1 0 JKAFRO CCC(=O)N1CCC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000040429538 563143349 /nfs/dbraw/zinc/14/33/49/563143349.db2.gz GXVJMQIXARBHKG-AREMUKBSSA-N 1 0 469.467 5.632 1 0 JKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2ncccc2c1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040465137 563144130 /nfs/dbraw/zinc/14/41/30/563144130.db2.gz XZFPPERVBQTZCD-CYBMUJFWSA-N 1 0 487.444 6.613 1 0 JKAFRO CC(=O)c1ccccc1OCCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040504767 563144815 /nfs/dbraw/zinc/14/48/15/563144815.db2.gz PGWSNCZLOJOPQN-UHFFFAOYSA-N 1 0 479.567 5.584 1 0 JKAFRO OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC[NH+](CCCSc2ccccc2)CC1 ZINC000040505637 563144896 /nfs/dbraw/zinc/14/48/96/563144896.db2.gz HCGIQHGFJRTCOI-UHFFFAOYSA-N 1 0 453.598 6.095 1 0 JKAFRO CCc1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040505684 563145001 /nfs/dbraw/zinc/14/50/01/563145001.db2.gz PRMUEEVLNKBVMW-UHFFFAOYSA-N 1 0 465.584 5.944 1 0 JKAFRO Cc1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040505894 563145032 /nfs/dbraw/zinc/14/50/32/563145032.db2.gz XFFORGOKPBZABQ-UHFFFAOYSA-N 1 0 451.557 5.690 1 0 JKAFRO COc1cc(N2Cc3ccc(-c4ccccc4)cc3C2=O)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040568116 563146213 /nfs/dbraw/zinc/14/62/13/563146213.db2.gz ICNMNEMPWXJFHE-UHFFFAOYSA-N 1 0 458.602 6.020 1 0 JKAFRO COC(=O)CCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040575684 563146371 /nfs/dbraw/zinc/14/63/71/563146371.db2.gz RAACUKXVGINMTN-GKMUTLEOSA-N 1 0 473.698 5.676 1 0 JKAFRO COC(=O)CCCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040575956 563146414 /nfs/dbraw/zinc/14/64/14/563146414.db2.gz CCMJBNKEJYHJFP-DNRXZPDESA-N 1 0 487.725 6.066 1 0 JKAFRO COC(=O)CCCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040575958 563146458 /nfs/dbraw/zinc/14/64/58/563146458.db2.gz CCMJBNKEJYHJFP-CMZGQUJUSA-N 1 0 487.725 6.066 1 0 JKAFRO O=C(CN1CCCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040592722 563146832 /nfs/dbraw/zinc/14/68/32/563146832.db2.gz CYGWCJHPTBKLCK-ABQAWVCCSA-N 1 0 472.673 5.600 1 0 JKAFRO C[C@@]1(CCCCc2ccccc2)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H](O5)C1=O ZINC000040619746 563146921 /nfs/dbraw/zinc/14/69/21/563146921.db2.gz KDEGYPGSRZCWOK-MZYFYRIISA-N 1 0 471.641 5.440 1 0 JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000040776288 563148532 /nfs/dbraw/zinc/14/85/32/563148532.db2.gz XHAOJIXFLQTDPH-OUQDBWRVSA-N 1 0 495.619 6.157 1 0 JKAFRO C[S@](=O)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040802218 563148602 /nfs/dbraw/zinc/14/86/02/563148602.db2.gz WHKWTWBLMAMRTJ-PGUFJCEWSA-N 1 0 499.623 5.119 1 0 JKAFRO COc1ccc2c3c1O[C@@H]1C(=O)[C@](C)(CCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000040801150 563148610 /nfs/dbraw/zinc/14/86/10/563148610.db2.gz UUWZNLIYKOSSSK-CONRADAPSA-N 1 0 485.668 5.743 1 0 JKAFRO COc1ccc2c3c1O[C@@H]1C(=O)[C@](C)(CCc4ccccc4)C[C@@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000040812783 563148789 /nfs/dbraw/zinc/14/87/89/563148789.db2.gz KDKYEDQMYUUZMK-DEZNVUHASA-N 1 0 471.641 5.353 1 0 JKAFRO COc1cc(-n2cnc3cc(-c4ccccc4Cl)sc3c2=O)ccc1OCC[NH+]1CCCC1 ZINC000040822706 563148828 /nfs/dbraw/zinc/14/88/28/563148828.db2.gz JWOQCTDYQSXXEP-UHFFFAOYSA-N 1 0 482.005 5.251 1 0 JKAFRO COc1cccc(CCc2ccccc2OCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000040848785 563149690 /nfs/dbraw/zinc/14/96/90/563149690.db2.gz PXVPRODQEGDLBS-UHFFFAOYSA-N 1 0 484.562 5.700 1 0 in-vitro JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccncc1 ZINC000040861829 563150163 /nfs/dbraw/zinc/15/01/63/563150163.db2.gz YZXAHVUCEAFJNT-RJOCGJNCSA-N 1 0 466.625 6.213 1 0 JKAFRO FC(F)(F)c1ccc(N2CCc3c2[nH+]ccc3-n2ccc(-c3nccs3)n2)c(C(F)(F)F)c1 ZINC000040862053 563150274 /nfs/dbraw/zinc/15/02/74/563150274.db2.gz IFJJHWCRWCRRTG-UHFFFAOYSA-N 1 0 481.425 6.123 1 0 JKAFRO CC(C)(C)c1ccc(-c2nc3c(cccc3N3CC[NH+](Cc4ccc5ccccc5c4)CC3)[nH]2)cc1 ZINC000040862455 563150348 /nfs/dbraw/zinc/15/03/48/563150348.db2.gz PFPQZHUMCMLIMX-UHFFFAOYSA-N 1 0 474.652 7.003 1 0 JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccc(Cl)cc1 ZINC000040863365 563150539 /nfs/dbraw/zinc/15/05/39/563150539.db2.gz KOSIZZFHENHXBG-RJOCGJNCSA-N 1 0 486.055 7.081 1 0 JKAFRO CCN(C(=O)c1ccc(OC)cc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040864062 563150653 /nfs/dbraw/zinc/15/06/53/563150653.db2.gz QSYUMABLKKWHMQ-DWACAAAGSA-N 1 0 491.676 5.058 1 0 JKAFRO CCN(C(=O)c1ccccc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040864069 563150656 /nfs/dbraw/zinc/15/06/56/563150656.db2.gz SJAHKAVMZZYMHY-AMGIVPHBSA-N 1 0 461.650 5.049 1 0 JKAFRO CCN(C(=O)NCc1ccccc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040867009 563151295 /nfs/dbraw/zinc/15/12/95/563151295.db2.gz QLEJJPXFHLHHDG-LXFBAYGMSA-N 1 0 490.692 5.119 1 0 JKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040867216 563151315 /nfs/dbraw/zinc/15/13/15/563151315.db2.gz HUXMKUMBJXCMBH-LXFBAYGMSA-N 1 0 491.676 5.546 1 0 JKAFRO C[NH2+]Cc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000040873320 563151694 /nfs/dbraw/zinc/15/16/94/563151694.db2.gz PPCJYXSWSWBJEU-UHFFFAOYSA-N 1 0 477.412 6.192 1 0 JKAFRO O=C(COc1cccc(Cl)c1)NC1CC[NH+](Cc2ccc(-c3ccc(C(F)(F)F)cn3)o2)CC1 ZINC000040891580 563153085 /nfs/dbraw/zinc/15/30/85/563153085.db2.gz BQLFNNIHBFLFOT-UHFFFAOYSA-N 1 0 493.913 5.173 1 0 JKAFRO C[NH+](C)C[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1)c1ccccc1 ZINC000040894081 563153606 /nfs/dbraw/zinc/15/36/06/563153606.db2.gz ORXJSAVDNFYTHE-SFHVURJKSA-N 1 0 469.408 5.087 1 0 JKAFRO O=C(Nc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccn1)C2)c1ccccc1-c1ccc(Cl)cc1 ZINC000040898424 563154221 /nfs/dbraw/zinc/15/42/21/563154221.db2.gz BWKLXPHCBYUBIF-VWLOTQADSA-N 1 0 453.973 5.911 1 0 JKAFRO O=C(O[C@H](CNc1cc(=O)c2ccccc2[nH]1)C[NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000040899463 563154515 /nfs/dbraw/zinc/15/45/15/563154515.db2.gz SAOGAVQSKSNUKX-IBGZPJMESA-N 1 0 496.394 5.262 1 0 JKAFRO CCc1c2ccc(OC)c(OCc3ccc(Cl)nc3)c2c[n+]2c1-c1cc(OC)c(OC)cc1CC2 ZINC000040919184 563156528 /nfs/dbraw/zinc/15/65/28/563156528.db2.gz CDEUWFKXLKIQKZ-UHFFFAOYSA-N 1 0 491.995 5.566 1 0 JKAFRO Cc1ccc([C@@H]2C[N@@H+](C)[C@]3(c4cccc5cccc(c45)C3=O)[C@]23CCc2c4ccccc4[nH]c2C3=O)cc1 ZINC000040919250 563156637 /nfs/dbraw/zinc/15/66/37/563156637.db2.gz IXOLNTUAIKCPRR-BIWWMPFASA-N 1 0 496.610 6.566 1 0 JKAFRO COc1ccc(C)cc1NC(=O)OC1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccc(CCF)cc1 ZINC000040933375 563156832 /nfs/dbraw/zinc/15/68/32/563156832.db2.gz LSCZHXWUTHTJBR-VSGJHWFKSA-N 1 0 454.586 5.692 1 0 JKAFRO CC1([NH+]2CCC(n3c4ccccc4nc3-c3cccc(S(C)(=O)=O)c3)CC2)CCCCCCC1 ZINC000040935807 563157824 /nfs/dbraw/zinc/15/78/24/563157824.db2.gz ZJQLCFIUFKGFMA-UHFFFAOYSA-N 1 0 479.690 6.247 1 0 JKAFRO O=C(NCC1CC1)c1ccc(F)c2c1C[C@H]([N@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040937377 563158215 /nfs/dbraw/zinc/15/82/15/563158215.db2.gz XXNJBGZBTVVHER-QFIPXVFZSA-N 1 0 493.598 5.377 1 0 in-vitro JKAFRO C[N@H+](CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(Br)c1 ZINC000040940000 563158869 /nfs/dbraw/zinc/15/88/69/563158869.db2.gz KCJHLXSAPKAGIT-UHFFFAOYSA-N 1 0 451.383 6.597 1 0 JKAFRO CC(C)NC(=O)c1ccc(F)c2c1C[C@H]([N@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040943552 563159115 /nfs/dbraw/zinc/15/91/15/563159115.db2.gz VLMQEJQNJJVDFP-NRFANRHFSA-N 1 0 481.587 5.375 1 0 in-vitro JKAFRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040950206 563159308 /nfs/dbraw/zinc/15/93/08/563159308.db2.gz VXHYDBRIBAUJIE-UHFFFAOYSA-N 1 0 455.002 5.242 1 0 JKAFRO CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCC[NH+]1CCCCC1 ZINC000040952076 563159824 /nfs/dbraw/zinc/15/98/24/563159824.db2.gz SSYXDHNBTDRYDC-HSZRJFAPSA-N 1 0 496.664 6.651 1 0 JKAFRO Cc1nn(C)c(C)c1C[NH+]1CCN(c2cccc3[nH]c(-c4ccc(C(C)(C)C)cc4)nc32)CC1 ZINC000040955706 563160675 /nfs/dbraw/zinc/16/06/75/563160675.db2.gz CMKDKQAMZWVGKC-UHFFFAOYSA-N 1 0 456.638 5.200 1 0 JKAFRO CCOC(=O)N1CCC[C@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000040972677 563161384 /nfs/dbraw/zinc/16/13/84/563161384.db2.gz JJIYEGDBRNLQID-SANMLTNESA-N 1 0 485.466 5.851 1 0 JKAFRO O=c1ccc(-n2ccc3ccccc32)nn1CCCCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000040972921 563161418 /nfs/dbraw/zinc/16/14/18/563161418.db2.gz CISIZNQAICWCSU-UHFFFAOYSA-N 1 0 490.051 5.223 1 0 JKAFRO Cc1nnc(-c2ccc(-c3cc(NC(=O)c4ccc(CN5CC[NH+](C)CC5)cc4)ccc3C)c(C)c2)o1 ZINC000040975401 563161880 /nfs/dbraw/zinc/16/18/80/563161880.db2.gz HSCYIVKNKNXHIF-UHFFFAOYSA-N 1 0 495.627 5.329 1 0 JKAFRO Clc1ccc([C@H](Nc2ccnc3cc(Cl)ccc32)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000040975751 563161928 /nfs/dbraw/zinc/16/19/28/563161928.db2.gz SHXACPDVVQQBFH-HHHXNRCGSA-N 1 0 462.424 7.339 1 0 JKAFRO Clc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc3c2nc[nH+]c3NN2CCCCC2)cc1 ZINC000040976165 563162105 /nfs/dbraw/zinc/16/21/05/563162105.db2.gz JHPCUAOEZFKOGG-UHFFFAOYSA-N 1 0 473.795 6.256 1 0 JKAFRO C/C=C(\C)C(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH2+]C)[C@@]4(C)CC[C@@H]32)[C@H]1OC(C)=O ZINC000042833985 563162826 /nfs/dbraw/zinc/16/28/26/563162826.db2.gz JGVUURLOQKRQKQ-ZLTQYVKSSA-N 1 0 472.714 5.246 1 0 JKAFRO OC[C@H]1CCC[N@@H+]1CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc21 ZINC000042887498 563163268 /nfs/dbraw/zinc/16/32/68/563163268.db2.gz OCSHJFOIIRJOEA-QGZVFWFLSA-N 1 0 498.418 5.077 1 0 JKAFRO C[C@@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccc(C[NH+](C)C)cc1Cl ZINC000043022271 563165167 /nfs/dbraw/zinc/16/51/67/563165167.db2.gz HJHRRHSCQOCGQG-CQSZACIVSA-N 1 0 454.983 5.017 1 0 JKAFRO c1c2ccc(C3=[NH+]CCN3)cc2oc1-c1ccc(OCCCCCCOc2ccccc2)cc1 ZINC000043060323 563165623 /nfs/dbraw/zinc/16/56/23/563165623.db2.gz VRDMIDPSGPQRMH-UHFFFAOYSA-N 1 0 454.570 6.468 1 0 JKAFRO Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nc(C[NH2+]C3CCCC3)n2C2CCC2)cc1 ZINC000043060569 563165736 /nfs/dbraw/zinc/16/57/36/563165736.db2.gz IXVGMZBRGGKQBF-UHFFFAOYSA-N 1 0 474.863 7.935 1 0 JKAFRO O=C(N[C@@H]1CCc2ccccc21)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000043122463 563167738 /nfs/dbraw/zinc/16/77/38/563167738.db2.gz WJPBCNFVYZLFMH-HHHXNRCGSA-N 1 0 468.597 5.287 1 0 JKAFRO C1=C\Cn2ccc3ccc(cc32)-c2ccnc(n2)Nc2ccc(OCC[NH+]3CCCC3)c(c2)COC/1 ZINC000043198502 563168423 /nfs/dbraw/zinc/16/84/23/563168423.db2.gz OEOVBBKVSXNPSX-ONEGZZNKSA-N 1 0 481.600 5.403 1 0 JKAFRO O=C(CCC[NH2+]CC1CCCCC1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000043203583 563168670 /nfs/dbraw/zinc/16/86/70/563168670.db2.gz FBBLRLYJWSSKRP-NDEPHWFRSA-N 1 0 468.085 5.524 1 0 JKAFRO CN(C)CC[NH2+]Cc1cccc(-c2ccc3c(c2)nccc3Nc2cc(O)c(Cl)cc2F)c1 ZINC000045167328 563173016 /nfs/dbraw/zinc/17/30/16/563173016.db2.gz KKCXYVVORLYAAZ-UHFFFAOYSA-N 1 0 464.972 5.795 1 0 JKAFRO COc1ccc(C[N@@H+]2CCCN(Cc3cccc(C(=O)Nc4ccc(C)c(F)c4)c3)CC2)cc1 ZINC000045167174 563173032 /nfs/dbraw/zinc/17/30/32/563173032.db2.gz IMWQKBYSDHQKEB-UHFFFAOYSA-N 1 0 461.581 5.103 1 0 JKAFRO COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1CN(C)CC[NH+](C)C ZINC000045167117 563173040 /nfs/dbraw/zinc/17/30/40/563173040.db2.gz QTACITHBPWLOOX-UHFFFAOYSA-N 1 0 451.998 5.261 1 0 JKAFRO CCOc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000045167359 563173124 /nfs/dbraw/zinc/17/31/24/563173124.db2.gz AWQIYOVPJIEJGI-OAQYLSRUSA-N 1 0 474.992 5.286 1 0 JKAFRO COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3ccc(C[NH+](C)C)cc3)c1)CC2 ZINC000045168294 563173530 /nfs/dbraw/zinc/17/35/30/563173530.db2.gz BLKJBGRVNMCIDA-UHFFFAOYSA-N 1 0 469.507 6.037 1 0 JKAFRO COc1cc(NC(=O)N2CCc3cc(OC)c(OCC[NH+]4CCCCC4)cc32)cc(C(F)(F)F)c1 ZINC000045168268 563173619 /nfs/dbraw/zinc/17/36/19/563173619.db2.gz ZKAXCJMCQQAZJI-UHFFFAOYSA-N 1 0 493.526 5.182 1 0 JKAFRO Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000045168377 563173717 /nfs/dbraw/zinc/17/37/17/563173717.db2.gz GQTCVGANRDYWJZ-VWLOTQADSA-N 1 0 455.533 5.588 1 0 JKAFRO Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)[C@H](C)C[NH+]5CCN(C)CC5)c4)cc3)nc21 ZINC000045168675 563173831 /nfs/dbraw/zinc/17/38/31/563173831.db2.gz HLFQYDXHINYQLB-OAQYLSRUSA-N 1 0 467.617 5.027 1 0 JKAFRO CCc1ccccc1-c1csc(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3)C2)c1 ZINC000045168921 563173970 /nfs/dbraw/zinc/17/39/70/563173970.db2.gz HHYOLQZXNIOQGD-JOCHJYFZSA-N 1 0 460.687 6.527 1 0 JKAFRO CCC[NH2+]Cc1ccc(-c2ccc(CN(CCOC)C(=O)CCCOCc3ccccc3)cc2)nc1 ZINC000045169035 563174037 /nfs/dbraw/zinc/17/40/37/563174037.db2.gz FGGQTWDMUUHGKR-UHFFFAOYSA-N 1 0 489.660 5.220 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3c(F)ccc(F)c3F)CC2)CC1 ZINC000045186923 563174284 /nfs/dbraw/zinc/17/42/84/563174284.db2.gz AOKWPXAGLBRSHC-JLHYYAGUSA-N 1 0 456.552 5.733 1 0 JKAFRO O=C(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000045187741 563174521 /nfs/dbraw/zinc/17/45/21/563174521.db2.gz QJKUGSLSNDGZFA-UHFFFAOYSA-N 1 0 488.720 6.174 1 0 JKAFRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCCCC[C@@]23CCCc4cccc(c42)NC3=O)CC1 ZINC000045187655 563174543 /nfs/dbraw/zinc/17/45/43/563174543.db2.gz HHBVNDNKMRVJOE-SSEXGKCCSA-N 1 0 453.630 6.352 1 0 JKAFRO C[C@@H](Cc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1)[NH2+]C[C@@H](O)c1ccccc1 ZINC000045188578 563174929 /nfs/dbraw/zinc/17/49/29/563174929.db2.gz PNOVWAYGLVOJSX-MUAVYFROSA-N 1 0 465.593 5.887 1 0 JKAFRO c1sc(C[NH+]2CCCCC2)nc1-c1ccc2c(c1)nccc2Nc1ccc(Oc2ccccn2)cc1 ZINC000045190084 563175413 /nfs/dbraw/zinc/17/54/13/563175413.db2.gz FEPORZONLKZELW-UHFFFAOYSA-N 1 0 493.636 7.275 1 0 JKAFRO CCCCCC[C@H](C)c1cc(OCC[NH+](CC)CC)c2c(c1)OC(C)(C)C=C2c1ccncc1 ZINC000045190641 563175584 /nfs/dbraw/zinc/17/55/84/563175584.db2.gz DKZNDKZIGIRISW-QHCPKHFHSA-N 1 0 464.694 7.479 1 0 JKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045190653 563175731 /nfs/dbraw/zinc/17/57/31/563175731.db2.gz DITOHFXDCLEQIH-UHFFFAOYSA-N 1 0 485.459 6.598 1 0 JKAFRO Cc1csc(-c2ncc(OC[C@@H]([NH3+])Cc3ccccc3)cc2-c2ccc3[nH]nc(C)c3c2)c1 ZINC000045191399 563175789 /nfs/dbraw/zinc/17/57/89/563175789.db2.gz BNCHLRUGZDAXIC-NRFANRHFSA-N 1 0 454.599 5.919 1 0 JKAFRO NC(=O)C1CC[NH+](Cc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)CC1 ZINC000045191247 563175829 /nfs/dbraw/zinc/17/58/29/563175829.db2.gz ZQVKPRKCTACLCH-UHFFFAOYSA-N 1 0 478.518 5.613 1 0 JKAFRO COCC[NH2+]Cc1cccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000045191875 563176065 /nfs/dbraw/zinc/17/60/65/563176065.db2.gz NBFLVNYJWFSQQI-UHFFFAOYSA-N 1 0 475.592 7.174 1 0 JKAFRO COc1cccc(-c2cc(C(=O)NC3CCC([NH+]4CCC(c5ccccc5C)CC4)CC3)[nH]n2)c1 ZINC000045193181 563176499 /nfs/dbraw/zinc/17/64/99/563176499.db2.gz PFYGINPPANIZDQ-UHFFFAOYSA-N 1 0 472.633 5.314 1 0 JKAFRO COc1cccc(-c2ccc(C(=O)NC3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)s2)c1 ZINC000045193581 563176661 /nfs/dbraw/zinc/17/66/61/563176661.db2.gz FQCOZUUQJCQQIS-UHFFFAOYSA-N 1 0 462.659 6.116 1 0 JKAFRO CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(OCC[NH+]3CCCCC3)c2)cc1 ZINC000045193839 563176746 /nfs/dbraw/zinc/17/67/46/563176746.db2.gz RLZMFFYVEHDBSP-UHFFFAOYSA-N 1 0 465.059 5.693 1 0 JKAFRO CC(C)(C(=O)Nc1ccc(C2CCC([NH2+]CC3CC3)CC2)c(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000045193739 563176768 /nfs/dbraw/zinc/17/67/68/563176768.db2.gz OTUGEFZDUOLQDF-UHFFFAOYSA-N 1 0 493.013 7.301 1 0 JKAFRO O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000045193630 563176779 /nfs/dbraw/zinc/17/67/79/563176779.db2.gz RATLPJTVYUZSHE-GQCTYLIASA-N 1 0 497.470 6.001 1 0 JKAFRO CC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3cc(N4CC[NH+](C)CC4)ccc3[nH]2)o1 ZINC000045194184 563176978 /nfs/dbraw/zinc/17/69/78/563176978.db2.gz OAZOKZILUZXCEE-UHFFFAOYSA-N 1 0 479.024 5.854 1 0 JKAFRO O=C(Nc1ccc(Cl)cc1)c1ccc(C[N@H+]2CCCN(Cc3cccc(F)c3)CC2)cc1 ZINC000045194181 563176989 /nfs/dbraw/zinc/17/69/89/563176989.db2.gz SQMYTUDZDFKDHB-UHFFFAOYSA-N 1 0 451.973 5.439 1 0 JKAFRO O=c1cc(NCCC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 ZINC000045194601 563177138 /nfs/dbraw/zinc/17/71/38/563177138.db2.gz LZWLRNCRJRUWNB-VWLOTQADSA-N 1 0 452.385 6.016 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045194720 563177182 /nfs/dbraw/zinc/17/71/82/563177182.db2.gz BSYLHDDLKAERKA-VWLOTQADSA-N 1 0 481.105 7.151 1 0 JKAFRO CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3cc(C[NH+]4CCCCC4)ccc3[nH]2)co1 ZINC000045194838 563177256 /nfs/dbraw/zinc/17/72/56/563177256.db2.gz ANGXZMKJXPWFNV-UHFFFAOYSA-N 1 0 479.024 6.483 1 0 JKAFRO CC(C)Oc1ccccc1-c1csc(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3)C2)c1 ZINC000045195191 563177363 /nfs/dbraw/zinc/17/73/63/563177363.db2.gz ZDKVTSLJTWAGLE-HSZRJFAPSA-N 1 0 490.713 6.752 1 0 JKAFRO CCc1ccc(NC(=O)c2cccc(CN3CCC[N@H+](Cc4ccc(OC)cc4)CC3)c2)cc1 ZINC000045195430 563177372 /nfs/dbraw/zinc/17/73/72/563177372.db2.gz DDUNXJWZHHPARA-UHFFFAOYSA-N 1 0 457.618 5.218 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]CCc5ccncc5)cc4)cc3)nc2c1 ZINC000045195265 563177464 /nfs/dbraw/zinc/17/74/64/563177464.db2.gz KQMCUKHIJNKMRB-UHFFFAOYSA-N 1 0 472.514 6.643 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@@H+](Cc3ccc(O)cc3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045195316 563177478 /nfs/dbraw/zinc/17/74/78/563177478.db2.gz PZJGXTGMEQZRDX-UHFFFAOYSA-N 1 0 491.635 6.019 1 0 JKAFRO CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)cc1 ZINC000045195325 563177483 /nfs/dbraw/zinc/17/74/83/563177483.db2.gz XDCMGOYRGOPDBK-UHFFFAOYSA-N 1 0 481.621 5.633 1 0 JKAFRO O=C(NC[C@H]1CC[N@H+](CC2CCCCC2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045195804 563177662 /nfs/dbraw/zinc/17/76/62/563177662.db2.gz HVAOXKKQYPFIPD-GOSISDBHSA-N 1 0 450.570 6.066 1 0 JKAFRO CC(C)(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4ccccc4Cl)s3)CC2)cc1 ZINC000045195923 563177695 /nfs/dbraw/zinc/17/76/95/563177695.db2.gz NYUVRLZEORVLCU-UHFFFAOYSA-N 1 0 467.078 6.760 1 0 JKAFRO C[NH+]1CCN(Cc2cccc(Nc3nccc(Nc4ccc(Oc5ccccc5)cc4)n3)c2)CC1 ZINC000045195932 563177711 /nfs/dbraw/zinc/17/77/11/563177711.db2.gz JUEQVYIZHAIUAA-UHFFFAOYSA-N 1 0 466.589 5.504 1 0 JKAFRO CC(=O)Nc1ccc(C[N@H+](Cc2ccc(C)cc2)Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000045195855 563177743 /nfs/dbraw/zinc/17/77/43/563177743.db2.gz MOSZUIPYGBUUCP-UHFFFAOYSA-N 1 0 450.582 6.948 1 0 JKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)c1 ZINC000045201042 563177930 /nfs/dbraw/zinc/17/79/30/563177930.db2.gz KBTVWHPJRKAVDE-UHFFFAOYSA-N 1 0 490.632 7.520 1 0 JKAFRO O=C(Nc1ccccc1)N1CCO[C@](CC[NH+]2CCC(F)(F)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000045201503 563178161 /nfs/dbraw/zinc/17/81/61/563178161.db2.gz KWBYAAUQHIGGSX-QHCPKHFHSA-N 1 0 498.401 5.874 1 0 JKAFRO COc1ccc(C[N@@H+]2CCCN(Cc3cccc(NC(=O)c4ccc5ccccc5c4)c3)CC2)cc1 ZINC000045202121 563178567 /nfs/dbraw/zinc/17/85/67/563178567.db2.gz IYAMSSJACQTHFJ-UHFFFAOYSA-N 1 0 479.624 5.809 1 0 JKAFRO c1cc(-c2ccccn2)sc1C[NH2+]Cc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000045202168 563178617 /nfs/dbraw/zinc/17/86/17/563178617.db2.gz AVQBDMIVACKYGF-UHFFFAOYSA-N 1 0 472.617 7.310 1 0 JKAFRO COc1ccc(NC(=O)c2ccc(-c3ccc(-c4cccnc4)cc3)c(C)c2)cc1OCC[NH+](C)C ZINC000045202392 563178675 /nfs/dbraw/zinc/17/86/75/563178675.db2.gz MSCMBKAAIIVLRO-UHFFFAOYSA-N 1 0 481.596 5.925 1 0 JKAFRO C[N@@H+]1CCC[C@H](CN2CCN(Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)c3)CC2)C1 ZINC000045202521 563178830 /nfs/dbraw/zinc/17/88/30/563178830.db2.gz GVSFRCFUHLUUJM-QHCPKHFHSA-N 1 0 485.701 5.418 1 0 JKAFRO OCC1CC[NH+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)c2)CC1 ZINC000045202706 563178977 /nfs/dbraw/zinc/17/89/77/563178977.db2.gz FVYMUZUPYTYLGY-UHFFFAOYSA-N 1 0 471.548 6.182 1 0 JKAFRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045202929 563179091 /nfs/dbraw/zinc/17/90/91/563179091.db2.gz KGLSRXABOBPNTM-LJQANCHMSA-N 1 0 468.022 5.279 1 0 JKAFRO c1cc(-c2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)sc1-c1nc2ccccc2[nH]1 ZINC000045209685 563179218 /nfs/dbraw/zinc/17/92/18/563179218.db2.gz XERKMETVRLTAGU-UHFFFAOYSA-N 1 0 465.626 5.671 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)s1 ZINC000045210111 563179226 /nfs/dbraw/zinc/17/92/26/563179226.db2.gz VTDXDAZIRAHTCY-UHFFFAOYSA-N 1 0 468.985 5.478 1 0 JKAFRO Cc1c(Br)c(C(F)=C(F)F)sc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000045210090 563179231 /nfs/dbraw/zinc/17/92/31/563179231.db2.gz LCLOWHVMDCNBBB-UHFFFAOYSA-N 1 0 486.357 5.787 1 0 JKAFRO C[C@H](COc1ccc2c(c1)OC(C)(C)C[C@@H]2c1ccccc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000045226904 563179782 /nfs/dbraw/zinc/17/97/82/563179782.db2.gz JLPQEIDGTOCHNP-BAEUJYSMSA-N 1 0 466.021 6.124 1 0 JKAFRO C[N@H+](CCCCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1)CCc1c[nH]c2ccccc12 ZINC000045227406 563180069 /nfs/dbraw/zinc/18/00/69/563180069.db2.gz XGIBFSTUPFAKGU-ZRDIBKRKSA-N 1 0 458.433 5.949 1 0 JKAFRO O=C(NCCCC[N@H+]1CCC[C@@H]2c3ccc(O)cc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1 ZINC000045227864 563180232 /nfs/dbraw/zinc/18/02/32/563180232.db2.gz XFYCKARBUDZUAB-WDYNHAJCSA-N 1 0 454.614 5.764 1 0 JKAFRO COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1CN(C)CC[NH+](C)C ZINC000045227980 563180330 /nfs/dbraw/zinc/18/03/30/563180330.db2.gz SPONQBOUWOEOKA-UHFFFAOYSA-N 1 0 451.998 5.261 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]C[C@H]5CCCO5)cc4)s3)nc2c1 ZINC000045228492 563180398 /nfs/dbraw/zinc/18/03/98/563180398.db2.gz MLDKNYIBPOAVJX-GOSISDBHSA-N 1 0 457.521 6.246 1 0 JKAFRO O=C(NCC[NH+]1CCCC1)c1cccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)c1 ZINC000045229187 563180680 /nfs/dbraw/zinc/18/06/80/563180680.db2.gz VBWIQHWXVXKXCV-UHFFFAOYSA-N 1 0 494.599 5.582 1 0 JKAFRO C[C@@H]1C[C@H]([NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c2c1cc(Cl)c(Cl)c2Cl ZINC000045229450 563180763 /nfs/dbraw/zinc/18/07/63/563180763.db2.gz QPDFIYBQMXBUFK-PXAZEXFGSA-N 1 0 450.797 6.128 1 0 JKAFRO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)C1 ZINC000045229924 563180921 /nfs/dbraw/zinc/18/09/21/563180921.db2.gz ISEWOCHSSCVVNI-RUZDIDTESA-N 1 0 467.613 6.451 1 0 JKAFRO O=C(NCc1cccc(Br)c1)c1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045229935 563180944 /nfs/dbraw/zinc/18/09/44/563180944.db2.gz PGFWRYBOIOKHCF-UHFFFAOYSA-N 1 0 492.461 5.133 1 0 JKAFRO Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)[C@H](C)C[NH+]5CCN(C)CC5)c4)c3)nc21 ZINC000045230044 563181034 /nfs/dbraw/zinc/18/10/34/563181034.db2.gz SDQKNXPESRXBSL-OAQYLSRUSA-N 1 0 467.617 5.027 1 0 JKAFRO O=c1ccc2ccc(F)c3c2n1C[C@@H]3CN1CCC([NH2+]Cc2cccc(-c3ccccc3F)c2)CC1 ZINC000045230082 563181085 /nfs/dbraw/zinc/18/10/85/563181085.db2.gz SGAZVKQFMXCAJP-QHCPKHFHSA-N 1 0 485.578 5.298 1 0 JKAFRO O=C(Nc1ccc2c(c1)CC[N@H+](C1CCC1)CC2)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000045230107 563181092 /nfs/dbraw/zinc/18/10/92/563181092.db2.gz WSYXSJSVHQENNN-UHFFFAOYSA-N 1 0 462.597 5.745 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](c2c[nH]c3ccccc32)C1 ZINC000045230613 563181149 /nfs/dbraw/zinc/18/11/49/563181149.db2.gz YLQZKMMSVLCCHI-KONDSOJQSA-N 1 0 484.471 6.654 1 0 JKAFRO CC(C)c1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045230603 563181161 /nfs/dbraw/zinc/18/11/61/563181161.db2.gz ORISIPVHXVWGBO-QHCPKHFHSA-N 1 0 450.623 6.462 1 0 JKAFRO S=C(NCC1CCCCC1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045230453 563181219 /nfs/dbraw/zinc/18/12/19/563181219.db2.gz VMDXOSMMVJWIQI-UHFFFAOYSA-N 1 0 466.739 5.951 1 0 JKAFRO Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCC[NH+]1CCCC1 ZINC000045245441 563181726 /nfs/dbraw/zinc/18/17/26/563181726.db2.gz XCZLLQDTFNFIDZ-UHFFFAOYSA-N 1 0 475.927 5.137 1 0 JKAFRO Cn1nccc1-c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC[NH+]1CCCCC1 ZINC000045253205 563182064 /nfs/dbraw/zinc/18/20/64/563182064.db2.gz XRBRXMZIBLYNRX-UHFFFAOYSA-N 1 0 487.526 5.615 1 0 JKAFRO Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCC[NH+]1CCCCC1 ZINC000045254336 563182342 /nfs/dbraw/zinc/18/23/42/563182342.db2.gz KCBVIIJSUCZYQC-UHFFFAOYSA-N 1 0 453.974 5.249 1 0 JKAFRO CCC[N@H+](Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1)C1CCCC1 ZINC000045254510 563182419 /nfs/dbraw/zinc/18/24/19/563182419.db2.gz BOARZXXEVHEYOO-UHFFFAOYSA-N 1 0 462.609 5.964 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](CCc3cccc(F)c3)CC2)cc1 ZINC000045255039 563182524 /nfs/dbraw/zinc/18/25/24/563182524.db2.gz KNAWLGCFMHPKJM-UHFFFAOYSA-N 1 0 489.635 5.859 1 0 JKAFRO Cn1nccc1-c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OCC[NH+]1CCCCC1 ZINC000045256605 563182804 /nfs/dbraw/zinc/18/28/04/563182804.db2.gz HCECHHDZKCPBPX-UHFFFAOYSA-N 1 0 487.526 5.615 1 0 JKAFRO O=c1[nH]c2cccc(OCC3CC[NH+](CC[C@@H]4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 ZINC000045257997 563182898 /nfs/dbraw/zinc/18/28/98/563182898.db2.gz VYIBBUMRFFRMSQ-KRWDZBQOSA-N 1 0 463.553 5.028 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(C=O)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045259816 563183138 /nfs/dbraw/zinc/18/31/38/563183138.db2.gz LYNLSHMBYBRFTN-UHFFFAOYSA-N 1 0 469.629 5.784 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](CCc3ccc(C)cc3)CC2)cc1 ZINC000045260524 563183205 /nfs/dbraw/zinc/18/32/05/563183205.db2.gz GUIZSHZGBWRXCY-UHFFFAOYSA-N 1 0 485.672 6.028 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](C[C@H](C)c3ccccc3)CC2)cc1 ZINC000045260429 563183211 /nfs/dbraw/zinc/18/32/11/563183211.db2.gz UJJLKLKIVAJGRK-DEOSSOPVSA-N 1 0 485.672 6.280 1 0 JKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C ZINC000045260898 563183300 /nfs/dbraw/zinc/18/33/00/563183300.db2.gz UZSODKZTGLVMOD-KDURUIRLSA-N 1 0 482.028 6.026 1 0 JKAFRO C[NH+](C)CC[C@H](NC(=O)c1cccc(-c2ccc3ccccc3c2)c1)c1ccc2ccccc2c1 ZINC000045283347 563183364 /nfs/dbraw/zinc/18/33/64/563183364.db2.gz VAPVNAADJMMZCR-HKBQPEDESA-N 1 0 458.605 7.083 1 0 JKAFRO OCCCCCCCCCC[C@H](O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000045283991 563183540 /nfs/dbraw/zinc/18/35/40/563183540.db2.gz HHNCJVQHWLEDNL-AUXUOOQGSA-N 1 0 497.764 6.787 1 0 JKAFRO Cc1ccc(-n2cnnn2)c(Oc2nc(Oc3cccc(-c4cccc(C[NH3+])c4)c3)c(F)cc2F)c1 ZINC000045286231 563184050 /nfs/dbraw/zinc/18/40/50/563184050.db2.gz PEXMLRIAIUEYKX-UHFFFAOYSA-N 1 0 486.482 5.354 1 0 JKAFRO Cc1ccc(C(=O)[O-])c(Oc2nc(Oc3cc(C[NH3+])cc(-c4cccc(C[NH3+])c4)c3)c(F)cc2F)c1 ZINC000045286852 563184134 /nfs/dbraw/zinc/18/41/34/563184134.db2.gz AJQCGECQIDFIDE-UHFFFAOYSA-N 1 0 491.494 5.535 1 0 JKAFRO Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCC5CCCCC5)c4)c3)cc12 ZINC000045289393 563184666 /nfs/dbraw/zinc/18/46/66/563184666.db2.gz XALLNMSDVOREEJ-QHCPKHFHSA-N 1 0 471.605 5.236 1 0 JKAFRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc(C(=O)NCc2ccccc2)c(NCC2CCCCC2)n1 ZINC000045300622 563185591 /nfs/dbraw/zinc/18/55/91/563185591.db2.gz MGWCGIMMWNOPJX-JOCHJYFZSA-N 1 0 478.685 5.075 1 0 JKAFRO Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)[C@@H](C)C[NH+]5CCOCC5)cc4)c3)nc21 ZINC000045301234 563185791 /nfs/dbraw/zinc/18/57/91/563185791.db2.gz URLKZUHRYSQTDV-FQEVSTJZSA-N 1 0 454.574 5.112 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3ccc4c(c3)OC(F)(F)O4)CC2)CC1 ZINC000045301673 563185920 /nfs/dbraw/zinc/18/59/20/563185920.db2.gz SZRXFUOASVVVFX-NTUHNPAUSA-N 1 0 482.571 5.637 1 0 JKAFRO O[C@]1(c2ccccc2)CC[N@H+](Cc2cccc(-c3c[nH]c4nc(NC5CCCC5)ncc34)c2)C1 ZINC000045301951 563186055 /nfs/dbraw/zinc/18/60/55/563186055.db2.gz SFLILKNHOREOPZ-MUUNZHRXSA-N 1 0 453.590 5.073 1 0 JKAFRO C[NH+]1CCN(c2ccc(Nc3c(C(N)=O)cnc4cc(-c5ccoc5)ccc43)cc2C(F)(F)F)CC1 ZINC000045302615 563186511 /nfs/dbraw/zinc/18/65/11/563186511.db2.gz RYNHOTIHHRSKTK-UHFFFAOYSA-N 1 0 495.505 5.108 1 0 JKAFRO O=c1n(CC2CCCCC2)c2cc(Cl)cc(OCCNc3cc[nH+]cc3)c2n1CC1CCCCC1 ZINC000045302564 563186563 /nfs/dbraw/zinc/18/65/63/563186563.db2.gz RDXFPKUEUKJPQX-UHFFFAOYSA-N 1 0 497.083 6.503 1 0 JKAFRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045302612 563186565 /nfs/dbraw/zinc/18/65/65/563186565.db2.gz KILYUFCKRQXCRA-XMMPIXPASA-N 1 0 492.545 5.968 1 0 JKAFRO COc1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(Cl)cc4)cc3c2)cc1OCC[NH+](C)C ZINC000045302728 563186734 /nfs/dbraw/zinc/18/67/34/563186734.db2.gz VCAUZMACRDNXBU-UHFFFAOYSA-N 1 0 463.965 5.690 1 0 JKAFRO COc1c(Br)cc(Br)cc1-c1ccc(C[N@@H+]2CC3CCC2CC3)[nH]1 ZINC000045302812 563186827 /nfs/dbraw/zinc/18/68/27/563186827.db2.gz SXMBFVRGXVUMMH-UHFFFAOYSA-N 1 0 454.206 5.590 1 0 JKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3cc4ccccc4s3)cc12 ZINC000045302827 563186836 /nfs/dbraw/zinc/18/68/36/563186836.db2.gz KNUGYCLJINDERH-QHCPKHFHSA-N 1 0 490.632 6.764 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4ccccc4Cl)cs3)C2)cc1 ZINC000045303103 563187034 /nfs/dbraw/zinc/18/70/34/563187034.db2.gz VABZIYZXMTULOP-FQEVSTJZSA-N 1 0 467.078 6.618 1 0 JKAFRO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)c1 ZINC000045303120 563187054 /nfs/dbraw/zinc/18/70/54/563187054.db2.gz GVDLZVWLFPCXQX-UHFFFAOYSA-N 1 0 453.567 6.035 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4ccccc4Cl)cs3)C2)cc1 ZINC000045303102 563187106 /nfs/dbraw/zinc/18/71/06/563187106.db2.gz VABZIYZXMTULOP-HXUWFJFHSA-N 1 0 467.078 6.618 1 0 JKAFRO Fc1ccc2[nH]cc(CC[NH2+]Cc3ccc(-c4cccc(-c5nc6ccccc6[nH]5)c4)cc3)c2c1 ZINC000045303185 563187141 /nfs/dbraw/zinc/18/71/41/563187141.db2.gz KSMUKDFABCQZPG-UHFFFAOYSA-N 1 0 460.556 6.850 1 0 JKAFRO Cc1cccc2[nH]c(-c3cccc(-c4cccc(C(=O)N5CCCC[C@@H]5C[N@@H+]5CC[C@H](O)C5)c4)c3)nc21 ZINC000045303287 563187240 /nfs/dbraw/zinc/18/72/40/563187240.db2.gz QSNZZEJFTRZQLY-SXOMAYOGSA-N 1 0 494.639 5.267 1 0 JKAFRO COc1ccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1C[NH+]1CCC(O)CC1 ZINC000045320149 563188012 /nfs/dbraw/zinc/18/80/12/563188012.db2.gz UXGFSHUBVOWEQG-UHFFFAOYSA-N 1 0 450.966 5.225 1 0 JKAFRO O=C(Nc1cccc(C[N@H+]2CCCN(Cc3cccc(O)c3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045320630 563188021 /nfs/dbraw/zinc/18/80/21/563188021.db2.gz HUCJHPXHMVHZPF-UHFFFAOYSA-N 1 0 491.635 6.019 1 0 JKAFRO O=c1cc(NCCC[NH2+]Cc2cc(Cl)cc(Cl)c2OCc2ccccc2)[nH]c2ccccc12 ZINC000045321930 563188300 /nfs/dbraw/zinc/18/83/00/563188300.db2.gz NLCIUZZRHQYASJ-UHFFFAOYSA-N 1 0 482.411 6.006 1 0 JKAFRO COc1cc(NC(=O)N2CCc3ccc(OCC[C@H]4CCC[N@@H+]4C)cc32)cc(C(F)(F)F)c1 ZINC000045322971 563188672 /nfs/dbraw/zinc/18/86/72/563188672.db2.gz FFTBOXSXGYOYGG-LJQANCHMSA-N 1 0 463.500 5.172 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccsc2)CC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000045323111 563188738 /nfs/dbraw/zinc/18/87/38/563188738.db2.gz MLXQGMSCRWNIHM-UHFFFAOYSA-N 1 0 450.551 5.890 1 0 JKAFRO CCCNC(=O)Nc1cc2cc(-c3cccc(C[NH+]4CCCCC4)c3)ccc2n2c(C)nnc12 ZINC000045323140 563188750 /nfs/dbraw/zinc/18/87/50/563188750.db2.gz NJMCEFYDLCEHGN-UHFFFAOYSA-N 1 0 456.594 5.375 1 0 JKAFRO Fc1ccc(Nc2ccnc3cc(-c4cccc(C[NH2+]CCN5CCOCC5)c4)ccc32)c(Cl)c1 ZINC000045323202 563188758 /nfs/dbraw/zinc/18/87/58/563188758.db2.gz CMECLDURCGCBMY-UHFFFAOYSA-N 1 0 491.010 5.860 1 0 JKAFRO CN1CCC([NH2+]Cc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)CC1 ZINC000045323102 563188778 /nfs/dbraw/zinc/18/87/78/563188778.db2.gz NEMNRRZYJRHHQR-UHFFFAOYSA-N 1 0 464.535 6.100 1 0 JKAFRO O=C(NC[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1)c1cc(-c2cccc(F)c2)cs1 ZINC000045323075 563188785 /nfs/dbraw/zinc/18/87/85/563188785.db2.gz OYSVHZCQBNCSJG-QGZVFWFLSA-N 1 0 462.512 5.825 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cccc(Cl)c3Cl)CC2)CC1 ZINC000045323056 563188802 /nfs/dbraw/zinc/18/88/02/563188802.db2.gz MZXDJFRVIHKSDA-NTEUORMPSA-N 1 0 471.472 6.622 1 0 JKAFRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc(C(=O)NCCc2ccccc2)c(NCC2CCCCC2)n1 ZINC000045324087 563188999 /nfs/dbraw/zinc/18/89/99/563188999.db2.gz IEZHKLPTPFEMLC-HSZRJFAPSA-N 1 0 492.712 5.118 1 0 JKAFRO Cc1nnc2c(NC(=O)NC3CCCC3)cc3cc(-c4ccc(C[NH+]5CCCCC5)cc4)ccc3n12 ZINC000045324466 563189094 /nfs/dbraw/zinc/18/90/94/563189094.db2.gz HXKGVXISNZKOPY-UHFFFAOYSA-N 1 0 482.632 5.908 1 0 JKAFRO CC[C@H]1CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1C ZINC000045324237 563189126 /nfs/dbraw/zinc/18/91/26/563189126.db2.gz YFVKRDMXSKCSGH-QILUIRDISA-N 1 0 473.661 5.750 1 0 JKAFRO O=C(Nc1cccc(C[N@@H+]2CCCN(Cc3cccnc3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045324788 563189207 /nfs/dbraw/zinc/18/92/07/563189207.db2.gz UXAGURRQZFPNEC-UHFFFAOYSA-N 1 0 469.416 5.349 1 0 JKAFRO COc1cc(OC)c(OC)cc1C[NH+]1CCC2(CN(Cc3ccc(Cl)c(Cl)c3)C(=O)O2)CC1 ZINC000045324580 563189217 /nfs/dbraw/zinc/18/92/17/563189217.db2.gz PRQIEMGYZSFGTB-UHFFFAOYSA-N 1 0 495.403 5.006 1 0 JKAFRO COc1cccc(C(=O)[C@H]2C[C@H]2C[N@H+]2CC=C(c3c[nH]c4cccc(Br)c43)CC2)c1 ZINC000045324625 563189290 /nfs/dbraw/zinc/18/92/90/563189290.db2.gz MXEWUAJHINAMCA-ICSRJNTNSA-N 1 0 465.391 5.547 1 0 JKAFRO CC(C)(C)c1ccc(C[NH+]2CCC(CNC(=O)c3cc(-c4ccccc4)nc4ccccc43)CC2)cc1 ZINC000045324801 563189315 /nfs/dbraw/zinc/18/93/15/563189315.db2.gz DEBIFBUTPOCKCP-UHFFFAOYSA-N 1 0 491.679 6.841 1 0 JKAFRO COc1ccc(NC(=O)/C=C/c2cc(Br)ccc2F)cc1OCC[NH+](C(C)C)C(C)C ZINC000045334323 563189350 /nfs/dbraw/zinc/18/93/50/563189350.db2.gz KFOJIABBMNLYNO-IZZDOVSWSA-N 1 0 493.417 5.746 1 0 JKAFRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045325182 563189352 /nfs/dbraw/zinc/18/93/52/563189352.db2.gz GAMUHMMWFPYBPF-HXUWFJFHSA-N 1 0 453.051 6.444 1 0 JKAFRO COc1ccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)cc1 ZINC000045324987 563189411 /nfs/dbraw/zinc/18/94/11/563189411.db2.gz CLXVHCVOTGLGAT-UHFFFAOYSA-N 1 0 487.525 7.214 1 0 JKAFRO COc1ccc(C(=O)[C@@H]2C[C@@H]2C[N@H+]2CC=C(c3c[nH]c4cccc(Br)c43)CC2)cc1 ZINC000045334625 563189497 /nfs/dbraw/zinc/18/94/97/563189497.db2.gz KCWXRCHMZWEHEO-UYAOXDASSA-N 1 0 465.391 5.547 1 0 JKAFRO COc1ccccc1-c1cccc(C[NH2+]C2CCN(C[C@@H]3Cn4c5c3c(F)ccc5ccc4=O)CC2)c1 ZINC000045334744 563189609 /nfs/dbraw/zinc/18/96/09/563189609.db2.gz JYEWLJOBIFSEEF-XMMPIXPASA-N 1 0 497.614 5.168 1 0 JKAFRO Cc1ccc(C[N@@H+]2CCCN(Cc3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)CC2)cc1 ZINC000045335083 563189896 /nfs/dbraw/zinc/18/98/96/563189896.db2.gz BTRHLTHPQAEXJI-UHFFFAOYSA-N 1 0 482.455 6.262 1 0 JKAFRO COc1ccc(C[NH2+]CC(C)(C)c2nc(-c3ccncc3)c(-c3ccc(Cl)c(O)c3)[nH]2)cc1 ZINC000045335596 563190042 /nfs/dbraw/zinc/19/00/42/563190042.db2.gz JJQOTKQRBZLPFH-UHFFFAOYSA-N 1 0 462.981 5.574 1 0 JKAFRO Nc1ncc2c(n1)c(-c1cc3c[nH]nc3c(-c3cc4ccccc4s3)c1)cn2CCCC[NH3+] ZINC000045336991 563190344 /nfs/dbraw/zinc/19/03/44/563190344.db2.gz GVHJLQKEXAWMLD-UHFFFAOYSA-N 1 0 453.575 5.177 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045337817 563190621 /nfs/dbraw/zinc/19/06/21/563190621.db2.gz ZQAAWHXQAJIKPK-QHCPKHFHSA-N 1 0 464.650 6.636 1 0 JKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCCN(Cc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000045337960 563190675 /nfs/dbraw/zinc/19/06/75/563190675.db2.gz SVTCSJBPBZSPPM-UHFFFAOYSA-N 1 0 469.456 6.374 1 0 JKAFRO Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCC[NH+](C)C)c(C(F)(F)F)c1)CC2 ZINC000045338111 563190686 /nfs/dbraw/zinc/19/06/86/563190686.db2.gz OLIBLZPTQUPYEG-UHFFFAOYSA-N 1 0 475.433 5.568 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3ccc(-c4ccccn4)s3)CC2)CC1 ZINC000045338641 563190860 /nfs/dbraw/zinc/19/08/60/563190860.db2.gz JFNAGDWJANTJIX-UHFFFAOYSA-N 1 0 459.659 6.039 1 0 JKAFRO O=C1Nc2cccc3c2[C@@]1(CCC[NH+]1CCC(c2c[nH]c4cc(C(F)(F)F)ccc42)CC1)CCC3 ZINC000045339085 563190943 /nfs/dbraw/zinc/19/09/43/563190943.db2.gz VDLSLDMUWXLWDG-MHZLTWQESA-N 1 0 481.562 6.373 1 0 JKAFRO CS(=O)(=O)c1cccc(Oc2cccc(-c3c(C[NH3+])cnc4c3cccc4C(F)(F)F)c2)c1 ZINC000045338951 563190995 /nfs/dbraw/zinc/19/09/95/563190995.db2.gz RKGUCTQUPQWZOT-UHFFFAOYSA-N 1 0 472.488 5.575 1 0 JKAFRO C[NH+](C)CCCOc1ccc2c(c1)Nc1c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn1CC2 ZINC000045339299 563191021 /nfs/dbraw/zinc/19/10/21/563191021.db2.gz NJQFZVQZUYTJOQ-UHFFFAOYSA-N 1 0 497.599 5.072 1 0 JKAFRO CCC[C@@H](C)C[NH+]1CCC(c2ccc(C(O)(CC)CC)cc2)(c2cccc(C(N)=O)c2)CC1 ZINC000045351572 563191835 /nfs/dbraw/zinc/19/18/35/563191835.db2.gz MAPOTTLVIWZPHI-JOCHJYFZSA-N 1 0 450.667 5.611 1 0 JKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3cc(F)ccc3O)cc12 ZINC000045351726 563191923 /nfs/dbraw/zinc/19/19/23/563191923.db2.gz GRMBXYBGEBAHFY-NRFANRHFSA-N 1 0 468.532 5.394 1 0 JKAFRO Cc1[nH]nc2cnc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12 ZINC000045352419 563192067 /nfs/dbraw/zinc/19/20/67/563192067.db2.gz KFUFYKHPONJLKZ-IBGZPJMESA-N 1 0 464.529 5.018 1 0 JKAFRO COc1ccc(NC(=O)OC[C@H](Oc2cccc3sc(C(N)=[NH2+])cc32)c2ccccc2)cc1 ZINC000045358477 563192769 /nfs/dbraw/zinc/19/27/69/563192769.db2.gz IEKKKOCYKOJJBP-NRFANRHFSA-N 1 0 461.543 5.563 1 0 JKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@H](COC(=O)Nc2ccc(F)cc2F)c2ccccc2)s1 ZINC000045365313 563192972 /nfs/dbraw/zinc/19/29/72/563192972.db2.gz NTUOVTZYWIFOND-HXUWFJFHSA-N 1 0 467.497 5.832 1 0 JKAFRO CCCNC(=O)c1ccc(OC2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC000045389070 563194939 /nfs/dbraw/zinc/19/49/39/563194939.db2.gz FGKZQDAJZGRNJH-UHFFFAOYSA-N 1 0 472.629 5.510 1 0 JKAFRO NC(=[NH2+])c1ccc2[nH]c(-c3ccc4[nH]c(-c5ccc(OCc6ccccc6)cc5)nc4c3)nc2c1 ZINC000045484372 563195351 /nfs/dbraw/zinc/19/53/51/563195351.db2.gz WUCHRIRTHRBGLQ-UHFFFAOYSA-N 1 0 458.525 5.636 1 0 JKAFRO C[NH+](C)CCCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc21 ZINC000045496611 563195793 /nfs/dbraw/zinc/19/57/93/563195793.db2.gz GVKJVGIHBKFCIP-UHFFFAOYSA-N 1 0 456.381 5.572 1 0 JKAFRO CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@@H+](Cc2cccs2)CC3)cc1 ZINC000049015259 563197224 /nfs/dbraw/zinc/19/72/24/563197224.db2.gz NCLAAFBKONZYBL-UHFFFAOYSA-N 1 0 454.661 5.492 1 0 JKAFRO O=C(Nc1cccc(-c2cn3ccnc3c(Nc3cc[nH+]cc3)n2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000049032569 563197978 /nfs/dbraw/zinc/19/79/78/563197978.db2.gz JRMCNSWAKAFNPS-UHFFFAOYSA-N 1 0 489.461 6.198 1 0 JKAFRO CCCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1-c1ccccc1 ZINC000049034232 563198381 /nfs/dbraw/zinc/19/83/81/563198381.db2.gz JYVCNVVSFMTWGQ-UHFFFAOYSA-N 1 0 479.068 5.469 1 0 JKAFRO O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccccc1-c1nc2ccccc2s1 ZINC000049034974 563198584 /nfs/dbraw/zinc/19/85/84/563198584.db2.gz KYJMGBRNBMEYEY-SANMLTNESA-N 1 0 494.620 5.476 1 0 JKAFRO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+](C)CCc4ccncc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049037170 563199154 /nfs/dbraw/zinc/19/91/54/563199154.db2.gz LJWMJRPJLDORHV-UHFFFAOYSA-N 1 0 475.946 5.792 1 0 JKAFRO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+](C)CCc4cccnc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049037649 563199287 /nfs/dbraw/zinc/19/92/87/563199287.db2.gz INWHTOAZEGAKRX-UHFFFAOYSA-N 1 0 475.946 5.792 1 0 JKAFRO CN1CC[C@@H]([N@H+](C)CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)C1 ZINC000049050596 563199870 /nfs/dbraw/zinc/19/98/70/563199870.db2.gz NVWYOZRNXOQBHM-HXUWFJFHSA-N 1 0 455.046 5.586 1 0 JKAFRO COc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@@H](c2ccccc2)c2cccc3ccccc32)CC1 ZINC000049054466 563200486 /nfs/dbraw/zinc/20/04/86/563200486.db2.gz VNELQZNOOIFCFU-NEEKEDPPSA-N 1 0 482.624 5.138 1 0 JKAFRO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]21CCCCC1=O ZINC000049071716 563201388 /nfs/dbraw/zinc/20/13/88/563201388.db2.gz GCVHGBBHGIHDAR-KECVVUEUSA-N 1 0 456.973 5.745 1 0 JKAFRO c1ccc(C[NH2+]Cc2ccc(CN(Cc3nc4ccccc4o3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049072653 563201445 /nfs/dbraw/zinc/20/14/45/563201445.db2.gz WJJYXLJDGDPKPV-MUUNZHRXSA-N 1 0 489.623 5.987 1 0 JKAFRO C[C@]([NH3+])(CO)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 ZINC000049072478 563201481 /nfs/dbraw/zinc/20/14/81/563201481.db2.gz NQPNQYMFNRJFNX-VWLOTQADSA-N 1 0 467.491 5.508 1 0 JKAFRO c1ccc(C[NH2+]Cc2ccc(CN(Cc3nc4ccccc4o3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049072655 563201520 /nfs/dbraw/zinc/20/15/20/563201520.db2.gz WJJYXLJDGDPKPV-NDEPHWFRSA-N 1 0 489.623 5.987 1 0 JKAFRO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc(-c2ccccc2)n1CC(C)C ZINC000049089292 563201905 /nfs/dbraw/zinc/20/19/05/563201905.db2.gz AZSKJKSQZWHDOK-UHFFFAOYSA-N 1 0 493.095 5.715 1 0 JKAFRO Oc1cccc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N[C@@H]3C[NH+]4CCC3CC4)cc2)c1 ZINC000049112160 563202394 /nfs/dbraw/zinc/20/23/94/563202394.db2.gz GMJUHMVIMKBELC-AREMUKBSSA-N 1 0 488.595 5.337 1 0 JKAFRO O=C(NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000049112581 563202473 /nfs/dbraw/zinc/20/24/73/563202473.db2.gz VJHPESATXUYLSR-UHFFFAOYSA-N 1 0 452.961 5.255 1 0 JKAFRO CN(C(=O)c1cc(N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000049785626 563203829 /nfs/dbraw/zinc/20/38/29/563203829.db2.gz LPIUUSUXUHBLTD-UHFFFAOYSA-N 1 0 465.947 5.700 1 0 JKAFRO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](CCc4ccccc4)[C@H]2N3C)cc1 ZINC000052968935 563204936 /nfs/dbraw/zinc/20/49/36/563204936.db2.gz WKDFOVDLOVYRAJ-DGPALRBDSA-N 1 0 469.629 6.403 1 0 in-vivo JKAFRO CC(C)Oc1ccccc1N1CC[NH+](C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 ZINC000053026018 563204988 /nfs/dbraw/zinc/20/49/88/563204988.db2.gz LHOVFJRBCVNIQC-UHFFFAOYSA-N 1 0 471.045 5.382 1 0 in-vitro JKAFRO O=C(N[C@@H](CC[NH+]1CCC(CO)(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000053293776 563205557 /nfs/dbraw/zinc/20/55/57/563205557.db2.gz LCFYNQQFENYVJT-VWLOTQADSA-N 1 0 488.594 5.370 1 0 JKAFRO CCCc1nc(-c2ccccc2)c(C[NH2+]CCN2CCN(c3ccccc3C(F)(F)F)CC2)o1 ZINC000053313987 563205863 /nfs/dbraw/zinc/20/58/63/563205863.db2.gz SRCHRTJTFUMUPC-UHFFFAOYSA-N 1 0 472.555 5.225 1 0 JKAFRO C[N@@H+]1[C@@H]2CC[C@H]1[C@H](c1nc(-c3ccc(Br)cc3)no1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000056727865 563206104 /nfs/dbraw/zinc/20/61/04/563206104.db2.gz FVBNPVXVBDJFEC-YSTOQKLRSA-N 1 0 458.787 5.886 1 0 JKAFRO NC(=[NH2+])c1cccc(C[C@H](CO)[C@@H](/C=C/c2ccccc2)NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000058512747 563206862 /nfs/dbraw/zinc/20/68/62/563206862.db2.gz DJRCYKRRZXJXEI-CUVAQGOLSA-N 1 0 489.619 5.301 1 0 JKAFRO C/C=C(\C)c1cccc(C2([NH2+]C[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(C)=O)CCCCC2)c1 ZINC000058534851 563206962 /nfs/dbraw/zinc/20/69/62/563206962.db2.gz JGGAGJGEZQIQKI-OURLZKMLSA-N 1 0 470.604 5.245 1 0 JKAFRO CCC(C)(C)c1cccc(C2([NH2+]C[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(C)=O)CCCCC2)c1 ZINC000058538261 563207043 /nfs/dbraw/zinc/20/70/43/563207043.db2.gz HYRLUFRAIZNHCE-RRPNLBNLSA-N 1 0 486.647 5.510 1 0 JKAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(CC(C)C)c2)CCCCC1 ZINC000058540805 563207119 /nfs/dbraw/zinc/20/71/19/563207119.db2.gz CRIKADMEFALWEC-RRPNLBNLSA-N 1 0 472.620 5.021 1 0 JKAFRO CCCCCC[NH2+]CCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl ZINC000058541527 563207206 /nfs/dbraw/zinc/20/72/06/563207206.db2.gz PYBQIWVUMRUOHI-UHFFFAOYSA-N 1 0 467.835 5.832 1 0 JKAFRO O=C1NC[C@H](c2ccc(Cl)c(Cl)c2)C12CC[NH+]([C@@H]1CCCC[C@@H]1c1ccc(F)cc1)CC2 ZINC000058562994 563207301 /nfs/dbraw/zinc/20/73/01/563207301.db2.gz SXFSLOXYRHKGHZ-PQNGQFLHSA-N 1 0 475.435 6.155 1 0 JKAFRO Cc1c(C[NH+]2CCCC2)cc(-c2ccc(Cl)cc2)n1CCCNc1ccnc2cc(Cl)ccc21 ZINC000058575530 563207663 /nfs/dbraw/zinc/20/76/63/563207663.db2.gz PZBBTLPXPGKJKX-UHFFFAOYSA-N 1 0 493.482 7.417 1 0 JKAFRO O=C(NCCCC[N@H+]1CCC[C@@H]2c3ccc(O)cc3CC[C@H]21)c1ccc(-c2ccccc2)cc1 ZINC000058593691 563208323 /nfs/dbraw/zinc/20/83/23/563208323.db2.gz XFYCKARBUDZUAB-FQLXRVMXSA-N 1 0 454.614 5.764 1 0 JKAFRO CCOc1cc(C[NH+]2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccccc1 ZINC000058609396 563208482 /nfs/dbraw/zinc/20/84/82/563208482.db2.gz NCVQBIQQTNMSSG-UHFFFAOYSA-N 1 0 473.617 5.249 1 0 JKAFRO Oc1ccc2c3c1O[C@H]1[C@H]4OC[C@@]4(CCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000058617289 563208505 /nfs/dbraw/zinc/20/85/05/563208505.db2.gz ZEOAOVNXZDWIFZ-ZYXZDCJMSA-N 1 0 471.641 5.250 1 0 JKAFRO O=C(/C=C/C[NH+]1C2CCC1CC2)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c32)C1 ZINC000059125675 563208824 /nfs/dbraw/zinc/20/88/24/563208824.db2.gz ZXPWQTWHRXRMRM-OWOJBTEDSA-N 1 0 498.027 5.295 1 0 JKAFRO Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2)ccc1N1CC[C@H]([N@H+]2CCC[C@@H]2C)C1 ZINC000059260219 563208989 /nfs/dbraw/zinc/20/89/89/563208989.db2.gz KBIMBEHOSLKBMG-JTSKRJEESA-N 1 0 461.437 5.687 1 0 JKAFRO Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2)ccc1N1CC[C@@H]([N@H+]2CCC[C@@H]2C)C1 ZINC000059260221 563209008 /nfs/dbraw/zinc/20/90/08/563209008.db2.gz KBIMBEHOSLKBMG-HTAPYJJXSA-N 1 0 461.437 5.687 1 0 JKAFRO C[C@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](Cc2ccccc2)CC1 ZINC000059687981 563209158 /nfs/dbraw/zinc/20/91/58/563209158.db2.gz QAYFVNCGVVULCG-JOCHJYFZSA-N 1 0 485.643 7.488 1 0 JKAFRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1)c1cccc2ccccc21 ZINC000061897343 563209853 /nfs/dbraw/zinc/20/98/53/563209853.db2.gz AZSPFDMYBYLBOG-HSZRJFAPSA-N 1 0 464.609 6.722 3 0 JKAFRO COc1ccc(OCC[NH+]2CCC(C(=O)N[C@@H](c3ccccc3)c3ccc4ccccc4n3)CC2)cc1 ZINC000061898085 563209923 /nfs/dbraw/zinc/20/99/23/563209923.db2.gz CLUCMFKOKXHDQU-PMERELPUSA-N 1 0 495.623 5.240 3 0 JKAFRO CC(=O)Nc1cc(-c2ccc(N3CC[NH+](C)CC3)cc2)cn2c(-c3ccc(F)c(Cl)c3)cnc12 ZINC000061902971 563210053 /nfs/dbraw/zinc/21/00/53/563210053.db2.gz XSSRMCSHLCYGFH-UHFFFAOYSA-N 1 0 477.971 5.171 3 0 JKAFRO [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2Cc2ccccc2)n1 ZINC000061903799 563210098 /nfs/dbraw/zinc/21/00/98/563210098.db2.gz ZJQWQRBZVZXXCU-OAQYLSRUSA-N 1 0 496.558 6.639 3 0 JKAFRO O=C(N[C@@H](c1ccc(Cl)cc1)c1cnccn1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000061904109 563210134 /nfs/dbraw/zinc/21/01/34/563210134.db2.gz AIRRKTKDHZABGM-QHCPKHFHSA-N 1 0 488.941 5.267 3 0 JKAFRO O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000061904427 563210186 /nfs/dbraw/zinc/21/01/86/563210186.db2.gz WUCXFTSLOBXKNU-XMMPIXPASA-N 1 0 489.468 6.052 3 0 JKAFRO O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000061904426 563210194 /nfs/dbraw/zinc/21/01/94/563210194.db2.gz WUCXFTSLOBXKNU-DEOSSOPVSA-N 1 0 489.468 6.052 3 0 JKAFRO CCCCN(C)C(=O)c1ccc(Nc2nc([C@@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)cs2)nc1 ZINC000061905227 563210255 /nfs/dbraw/zinc/21/02/55/563210255.db2.gz QCYKWMDBJTXBTH-SFHVURJKSA-N 1 0 477.556 5.415 3 0 JKAFRO COc1ccc(C[C@@H]([NH3+])c2csc(NC(=O)Nc3ccccc3Cc3ccccc3)n2)cc1 ZINC000061906649 563210533 /nfs/dbraw/zinc/21/05/33/563210533.db2.gz SYHJZJGJSPUZSE-JOCHJYFZSA-N 1 0 458.587 5.629 3 0 JKAFRO COc1cc(NC(=O)Nc2nc([C@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)cs2)cc(OC)c1OC ZINC000061907126 563210551 /nfs/dbraw/zinc/21/05/51/563210551.db2.gz GQHGCXPQNXAETL-OAHLLOKOSA-N 1 0 496.511 5.074 3 0 JKAFRO [NH3+][C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 ZINC000061908499 563210772 /nfs/dbraw/zinc/21/07/72/563210772.db2.gz HEKPANGKDKIOPZ-KRWDZBQOSA-N 1 0 457.481 5.730 3 0 JKAFRO [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 ZINC000061908498 563210808 /nfs/dbraw/zinc/21/08/08/563210808.db2.gz HEKPANGKDKIOPZ-QGZVFWFLSA-N 1 0 457.481 5.730 3 0 JKAFRO O=C(NCC1=C(c2cccc3ccccc32)C[C@@H]2CC[C@H]1[N@@H+]2Cc1ccco1)c1cccs1 ZINC000061921176 563210921 /nfs/dbraw/zinc/21/09/21/563210921.db2.gz IKUCIMWVZCMIFY-RXFWQSSRSA-N 1 0 454.595 6.115 3 0 JKAFRO CC1=N[C@H]2CC[C@H]1OC(=O)CCCCCCC[C@H]1CC[C@H](OC(=O)CCCCCCC2)[C@H](C)[NH2+]1 ZINC000100773119 571817673 /nfs/dbraw/zinc/81/76/73/571817673.db2.gz KGQYREIAHMZYSA-PDIHAJQMSA-N 1 0 476.702 6.049 1 0 endogenous,in-man JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(-c4ccccc4)cc3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823532 581100705 /nfs/dbraw/zinc/10/07/05/581100705.db2.gz ZBMDLEOBRDEIKO-JKHUWTJRSA-N 1 0 489.615 7.138 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4ccsc4)c3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000087666889 581100726 /nfs/dbraw/zinc/10/07/26/581100726.db2.gz WRVUFLOXTBTUBR-VBPJPMMHSA-N 1 0 495.644 7.199 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4ccccc4)c3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823491 581100753 /nfs/dbraw/zinc/10/07/53/581100753.db2.gz DDLPDJJVTVQHQU-RKBYDRGJSA-N 1 0 489.615 7.138 1 0 JKAFRO CC(C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@@H]([C@H](C)[NH+](C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000040867307 291564682 /nfs/dbraw/zinc/56/46/82/291564682.db2.gz UVQXQFGAJCSURO-ZUHWRNQPSA-N 1 0 472.758 5.797 1 0 biogenic,in-vitro JKAFRO CCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1-c1ccc2ccc(O)cc2c1)OC[NH2+]C ZINC000085597468 291582567 /nfs/dbraw/zinc/58/25/67/291582567.db2.gz GYUXGJGPKZYUGC-XMMPIXPASA-N 1 0 451.563 5.181 1 0 biogenic,in-vitro JKAFRO CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH2+]Cc3ccc(OCc4ccccc4)cc3)CCC[C@]21C ZINC000008749798 554652060 /nfs/dbraw/zinc/65/20/60/554652060.db2.gz YOOHGKDQFVKYOV-DHWXLLNHSA-N 1 0 481.724 8.189 2 0 JKAFRO COc1ccc(-c2csc(N3[NH2+]C4=C(C[C@H](c5ccccc5)CC4)[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000016957522 556188577 /nfs/dbraw/zinc/18/85/77/556188577.db2.gz PMPAMSURRMCKHB-LYHRCORUSA-N 1 0 473.520 5.830 2 0 JKAFRO COc1cc(/C=C/C(=O)O[C@@H]2CC[C@H](CCCCCCCCCCC(C)=O)[NH2+][C@H]2C)ccc1O ZINC000219381981 560036236 /nfs/dbraw/zinc/03/62/36/560036236.db2.gz STSLNURRVKPSHZ-DVCOQENOSA-N 1 0 473.654 5.956 1 0 biogenic,in-vitro JKAFRO CC[NH2+][C@H]1CC[C@H](c2cc(O)cc(C[C@@H]3CCC[C@@H]([C@@]4(C)C=CC[C@H](C)C4)C3)c2)c2ccccc21 ZINC000085543539 560070998 /nfs/dbraw/zinc/07/09/98/560070998.db2.gz OPOBLWJCCMLSTK-ZIQIXULKSA-N 1 0 471.729 8.310 1 0 biogenic,in-vitro JKAFRO C[NH2+]C[C@H](CCC/C=C\CCC1CCCCC1)[C@H](CC[NH3+])[C@H](CCc1ccccc1)CC(=O)[O-] ZINC000085505790 560074717 /nfs/dbraw/zinc/07/47/17/560074717.db2.gz QEJXXFIJZQEWGR-UJKDEPLOSA-N 1 0 470.742 6.598 1 0 biogenic,in-vitro JKAFRO O=C(c1c(-c2ccc(O)cc2)sc2cc(O)cc(O)c21)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000000579082 562918006 /nfs/dbraw/zinc/91/80/06/562918006.db2.gz HJBTUMBFEXRUSV-UHFFFAOYSA-N 1 0 489.593 5.781 1 0 JKAFRO C[NH+]1CCC(c2csc3ccc(NC(=O)Nc4ccc(-c5ccncc5)c5ccccc45)cc32)CC1 ZINC000000582564 562918007 /nfs/dbraw/zinc/91/80/07/562918007.db2.gz TUPJECHPEGKXTN-UHFFFAOYSA-N 1 0 492.648 7.570 1 0 JKAFRO Oc1ccc(-c2sc3cc(O)ccc3c2Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000000579678 562918042 /nfs/dbraw/zinc/91/80/42/562918042.db2.gz TYYQMOANTASSSU-UHFFFAOYSA-N 1 0 460.599 6.588 1 0 JKAFRO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC1)c1ccccc1 ZINC000000588925 562918043 /nfs/dbraw/zinc/91/80/43/562918043.db2.gz XZCJCPMLMYYDQU-HLMSNRGBSA-N 1 0 456.634 5.560 1 0 JKAFRO Oc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000000600755 562918498 /nfs/dbraw/zinc/91/84/98/562918498.db2.gz WLEXCTJQABXUGS-UHFFFAOYSA-N 1 0 461.583 6.637 1 0 JKAFRO Oc1ccc2c(ccc3c2[C@H](c2ccc(OCC[NH+]4CCCCC4)cc2)Oc2cc(O)ccc2-3)c1 ZINC000000607948 562918692 /nfs/dbraw/zinc/91/86/92/562918692.db2.gz BVMPSVISGVGNDN-PMERELPUSA-N 1 0 467.565 6.265 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@H](c2ccc(OCC[NH+]3CCCC3)cc2)Oc2cc(O)ccc2-1 ZINC000000841289 562919355 /nfs/dbraw/zinc/91/93/55/562919355.db2.gz OJUGMOYQHVGACK-SANMLTNESA-N 1 0 459.567 5.936 1 0 JKAFRO CC[NH+](CC)C/C=C/c1[nH]c(=O)c2c3c(ccc2c1C)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000001494202 562920390 /nfs/dbraw/zinc/92/03/90/562920390.db2.gz BPLTVYXMXOYIBK-DHZHZOJOSA-N 1 0 484.431 6.129 1 0 JKAFRO COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C[N@@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000001540649 562920739 /nfs/dbraw/zinc/92/07/39/562920739.db2.gz RQXJVDYSRNWVNF-VWLOTQADSA-N 1 0 467.635 5.058 1 0 JKAFRO COc1ccc2c(c1)oc(Cc1ccc(Cl)cc1)c2-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000001539919 562920760 /nfs/dbraw/zinc/92/07/60/562920760.db2.gz FDUYRWZCEVMVKN-UHFFFAOYSA-N 1 0 461.989 6.827 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccc(F)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000001541971 562920873 /nfs/dbraw/zinc/92/08/73/562920873.db2.gz HKOBHPSQGCLOAD-UHFFFAOYSA-N 1 0 475.585 6.509 1 0 JKAFRO COc1ccc2c(c[n+]3c(c2Cc2ccc(C(C)(C)C)cc2)-c2cc4c(cc2CC3)OCO4)c1OC ZINC000001547148 562921105 /nfs/dbraw/zinc/92/11/05/562921105.db2.gz KOYOPIKZUCOWJM-UHFFFAOYSA-N 1 0 482.600 5.985 1 0 JKAFRO Clc1cccc(N2CC[NH+](CCCN3CCc4c5ccccc5[nH]c4[C@H]3c3cccnc3)CC2)c1 ZINC000001622992 562921683 /nfs/dbraw/zinc/92/16/83/562921683.db2.gz SWRGZBWFGHMEOU-GDLZYMKVSA-N 1 0 486.063 5.376 1 0 JKAFRO COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H]([NH2+]Cc1ccc(F)cc1)CC2 ZINC000001631531 562921793 /nfs/dbraw/zinc/92/17/93/562921793.db2.gz FAAULQKFYXONRY-NRFANRHFSA-N 1 0 481.589 5.378 1 0 JKAFRO Clc1ccc([C@H](Cc2cccc(Cl)c2)c2c(Cl)nc(N3CC[NH2+]CC3)nc2Cl)cc1 ZINC000001654584 562922599 /nfs/dbraw/zinc/92/25/99/562922599.db2.gz XJNSDCGPKMHVLU-SFHVURJKSA-N 1 0 482.242 5.874 1 0 JKAFRO C=C1c2nc3ccccc3n2C=C(c2ccc(OC)cc2)N1c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000001658147 562922775 /nfs/dbraw/zinc/92/27/75/562922775.db2.gz INJDFHJYJUGOAJ-UHFFFAOYSA-N 1 0 492.623 6.356 1 0 JKAFRO C=C1c2nc3ccccc3n2C=C(c2ccc(Cl)cc2)N1c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000001658148 562922778 /nfs/dbraw/zinc/92/27/78/562922778.db2.gz SYCXKBSWUDJTMU-UHFFFAOYSA-N 1 0 497.042 7.001 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccc(O)c(F)c1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000001902639 562924047 /nfs/dbraw/zinc/92/40/47/562924047.db2.gz SXNATFXZAWSPSE-UHFFFAOYSA-N 1 0 491.584 6.214 1 0 JKAFRO Cc1cc(F)ccc1Nc1nc2c(OCCC[NH+](C)C)cccc2c(N(C)c2ccccc2)n1 ZINC000001905574 562924094 /nfs/dbraw/zinc/92/40/94/562924094.db2.gz HKOIWOMVAXACGS-UHFFFAOYSA-N 1 0 459.569 5.919 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1)c1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000002002921 562924346 /nfs/dbraw/zinc/92/43/46/562924346.db2.gz ARJOCRMEGRIBFE-UHFFFAOYSA-N 1 0 489.662 6.789 1 0 JKAFRO CCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(Br)c(CC)[nH+]1 ZINC000003779128 562927768 /nfs/dbraw/zinc/92/77/68/562927768.db2.gz XBBRPUQAGTUXDF-UHFFFAOYSA-N 1 0 463.383 5.428 1 0 JKAFRO COc1ccc(C[NH2+][C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)cc1 ZINC000003793023 562928217 /nfs/dbraw/zinc/92/82/17/562928217.db2.gz DYORENMOYLYMBP-MHZLTWQESA-N 1 0 459.634 6.595 1 0 JKAFRO O[C@@H](/C=C1\C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000003791027 562928253 /nfs/dbraw/zinc/92/82/53/562928253.db2.gz IICYPFHJKGRIGE-YZQOCSGXSA-N 1 0 463.543 6.592 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)(C)C)cn3ccccc23)cc1 ZINC000003809859 562928673 /nfs/dbraw/zinc/92/86/73/562928673.db2.gz MLVJLNHTLWGDOJ-UHFFFAOYSA-N 1 0 498.733 6.741 1 0 JKAFRO CCC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000003817199 562928940 /nfs/dbraw/zinc/92/89/40/562928940.db2.gz XRSROGZJPUWHNX-UHFFFAOYSA-N 1 0 472.791 7.488 1 0 JKAFRO C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)c(F)c3S[C@@H]2c2cccc(O)c2)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000003819174 562929127 /nfs/dbraw/zinc/92/91/27/562929127.db2.gz SZXXFGHTMQJWNQ-JDEMJVTFSA-N 1 0 495.616 6.313 1 0 JKAFRO CCCO[C@]12Cc3c4ccccc4[nH]c3[C@]3(C)Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000003823628 562929356 /nfs/dbraw/zinc/92/93/56/562929356.db2.gz OSKKOECOXAMZPR-QVDUQQMDSA-N 1 0 470.613 5.181 1 0 JKAFRO COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCC[NH+]2CCCCC2)cc(OC)c1 ZINC000003825294 562929430 /nfs/dbraw/zinc/92/94/30/562929430.db2.gz WYNFRQRHCRBFCL-UHFFFAOYSA-N 1 0 461.002 5.357 1 0 JKAFRO CN(C(=O)C1C(c2ccccc2)=C1c1ccccc1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1 ZINC000003929212 562930032 /nfs/dbraw/zinc/93/00/32/562930032.db2.gz DVBJTNONUUBBIZ-QRQMUESOSA-N 1 0 456.630 5.252 1 0 JKAFRO C[C@@H]1CC[N@H+](CCOc2ccc(C(=O)c3c4ccc(O)cc4sc3-c3ccc(O)cc3)cc2)C1 ZINC000003928594 562930061 /nfs/dbraw/zinc/93/00/61/562930061.db2.gz NITXIOJXVVTKIJ-GOSISDBHSA-N 1 0 473.594 5.931 1 0 JKAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2Nc1c2c(ccc1Cl)OCO2 ZINC000003938356 562930250 /nfs/dbraw/zinc/93/02/50/562930250.db2.gz QHIMVPIOWKYPSO-UHFFFAOYSA-N 1 0 470.957 5.019 1 0 in-vivo JKAFRO Oc1ccc2c(ccc3c2[C@H](c2ccc(OCC[NH+]4CCCCC4)cc2)c2cccc(O)c2C3)c1 ZINC000003948514 562930589 /nfs/dbraw/zinc/93/05/89/562930589.db2.gz DLCGHEAGXLUOOT-SSEXGKCCSA-N 1 0 465.593 6.200 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000003949927 562930630 /nfs/dbraw/zinc/93/06/30/562930630.db2.gz DGIOQDYTHUIYCG-CTNGQTDRSA-N 1 0 480.493 5.304 1 0 JKAFRO c1ccc(COCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1 ZINC000003951355 562930734 /nfs/dbraw/zinc/93/07/34/562930734.db2.gz SBQHXMHGXWOGFR-ZWXJPIIXSA-N 1 0 481.636 6.488 1 0 in-vitro JKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@]2(CCN(c3cc[nH+]cc3)C2)C1 ZINC000003955924 562930832 /nfs/dbraw/zinc/93/08/32/562930832.db2.gz CGJCRBMQFRCOFW-FQEVSTJZSA-N 1 0 457.418 5.252 1 0 JKAFRO CC(C)C[NH+]1CCC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000003955719 562930837 /nfs/dbraw/zinc/93/08/37/562930837.db2.gz WLLLRBADZZPCDI-UHFFFAOYSA-N 1 0 450.467 5.698 1 0 JKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CCN(c1cc[nH+]cc1)CC2 ZINC000003955825 562930848 /nfs/dbraw/zinc/93/08/48/562930848.db2.gz FOBUBABAVNENOA-UHFFFAOYSA-N 1 0 471.445 5.642 1 0 JKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000003955974 562930878 /nfs/dbraw/zinc/93/08/78/562930878.db2.gz POQFUCXORUYFTB-UHFFFAOYSA-N 1 0 484.484 6.243 1 0 JKAFRO COc1ccccc1C[NH+]1CC2(C1)CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000003956043 562930925 /nfs/dbraw/zinc/93/09/25/562930925.db2.gz QTSXEDWCJYLEDL-UHFFFAOYSA-N 1 0 486.456 5.471 1 0 JKAFRO Oc1ccc([C@@H]2Sc3ccc(O)cc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000003973828 562931318 /nfs/dbraw/zinc/93/13/18/562931318.db2.gz YFBBUNQHPDYKHQ-SXOMAYOGSA-N 1 0 463.599 5.930 1 0 JKAFRO CCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1 ZINC000003976516 562931369 /nfs/dbraw/zinc/93/13/69/562931369.db2.gz NNOWQHZNUGOGEV-FIPFOOKPSA-N 1 0 495.639 5.866 1 0 JKAFRO COc1ccc(C2=CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000003987174 562931560 /nfs/dbraw/zinc/93/15/60/562931560.db2.gz IVMHXRSBRWFJOD-UHFFFAOYSA-N 1 0 461.389 5.297 1 0 JKAFRO Oc1cccc([C@H]2CCc3cc(O)ccc3N2Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000003988484 562931645 /nfs/dbraw/zinc/93/16/45/562931645.db2.gz VPHDBSKPCLXHJV-MUUNZHRXSA-N 1 0 458.602 5.657 1 0 JKAFRO Oc1ccc([C@H]2CCc3cc(O)ccc3N2Cc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000003988482 562931662 /nfs/dbraw/zinc/93/16/62/562931662.db2.gz IQBSKHUUKFFBOG-MUUNZHRXSA-N 1 0 458.602 5.657 1 0 JKAFRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc21 ZINC000003992151 562931728 /nfs/dbraw/zinc/93/17/28/562931728.db2.gz WWABBSQIRKPECQ-DPSWKAHMSA-N 1 0 492.563 5.679 1 0 JKAFRO COc1cc2c(cc1OCC1CC[NH+](C)CC1)ncnc2NC(=O)Nc1c(Cl)cccc1Cl ZINC000003995048 562931855 /nfs/dbraw/zinc/93/18/55/562931855.db2.gz LFKKTLUGAAHREA-UHFFFAOYSA-N 1 0 490.391 5.310 1 0 JKAFRO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)c(C)o2)cc1OC ZINC000004034718 562931962 /nfs/dbraw/zinc/93/19/62/562931962.db2.gz MWTSUKHWPXHRNU-DEOSSOPVSA-N 1 0 489.616 5.073 3 0 JKAFRO Br[C@@]1(c2ccccc2)C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc21 ZINC000005539914 562934098 /nfs/dbraw/zinc/93/40/98/562934098.db2.gz VXPDLLRHMPFDSJ-WJOKGBTCSA-N 1 0 489.436 7.627 1 0 JKAFRO c1c2ccc(-c3cc4ccc(C5=[NH+]CCN5)cc4[nH]3)cc2[nH]c1-c1ccc2oc(C3=NCCN3)cc2c1 ZINC000005554003 562934180 /nfs/dbraw/zinc/93/41/80/562934180.db2.gz UHBFGIHBGNHLAX-UHFFFAOYSA-N 1 0 484.563 5.429 1 0 JKAFRO FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005596637 562934484 /nfs/dbraw/zinc/93/44/84/562934484.db2.gz IZLWCYZKYDWQIK-GCJKJVERSA-N 1 0 461.959 6.564 1 0 JKAFRO CC[N@@H+]1CC[C@@](O)(c2ccc(Oc3ccccc3)cc2)[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000005822604 562935101 /nfs/dbraw/zinc/93/51/01/562935101.db2.gz VZAAVPMTYOEAIJ-XDFJSJKPSA-N 1 0 493.603 6.684 1 0 JKAFRO Clc1ccc(C2=C(c3ccccc3)[C@H](c3ccc(Cl)cc3)N3C(=[NH+][C@H]4CCCC[C@@H]43)N2)cc1 ZINC000005832826 562935234 /nfs/dbraw/zinc/93/52/34/562935234.db2.gz YLEVINLUJCOCAK-DPZBCOQUSA-N 1 0 474.435 7.189 1 0 JKAFRO CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](C(=O)NCC[NH+](C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005889636 562935682 /nfs/dbraw/zinc/93/56/82/562935682.db2.gz PCGYYIHRQWNZFL-JTTLDEKKSA-N 1 0 484.813 7.322 1 0 JKAFRO COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H]([NH+]6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1OC ZINC000006020250 562936553 /nfs/dbraw/zinc/93/65/53/562936553.db2.gz OYKSHQPWYVOWDD-MCKKOMDYSA-N 1 0 491.716 6.485 1 0 JKAFRO CCC[C@H](C(=O)NC1CCCCC1)N(CCC[NH+](CC)CC)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000006501434 562937418 /nfs/dbraw/zinc/93/74/18/562937418.db2.gz QHVNLCNSYMWFAA-HHHXNRCGSA-N 1 0 480.697 5.473 1 0 JKAFRO [NH3+][C@H](COc1cncc(-c2ccc3c(c2)/C(=C\c2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12 ZINC000006718485 562938289 /nfs/dbraw/zinc/93/82/89/562938289.db2.gz BSFNGHCTZDCQBF-ZUICHYAESA-N 1 0 476.536 5.264 1 0 JKAFRO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000008597863 562944807 /nfs/dbraw/zinc/94/48/07/562944807.db2.gz XZQQJDIBXKJVJF-OAQYLSRUSA-N 1 0 497.014 5.003 1 0 JKAFRO Clc1ccc([C@@H]2[C@H]3C[N@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000008690102 562953684 /nfs/dbraw/zinc/95/36/84/562953684.db2.gz HXDJBGPUNBJASD-RKKUSFCFSA-N 1 0 484.087 7.199 3 0 JKAFRO CCc1cc(Br)cc2c1NCC[C@@H]2[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000009133060 562955600 /nfs/dbraw/zinc/95/56/00/562955600.db2.gz MLMOIYINWZMPBY-IBGZPJMESA-N 1 0 455.400 5.214 1 0 JKAFRO O=c1cc(NCCC[NH2+][C@H]2CCNc3c(Cl)cc(Br)cc32)[nH]c2ccccc12 ZINC000009132485 562955621 /nfs/dbraw/zinc/95/56/21/562955621.db2.gz LPOGITPRGYGPQH-KRWDZBQOSA-N 1 0 461.791 5.305 1 0 JKAFRO C[C@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)[NH+]1CCCC1 ZINC000012502349 562960346 /nfs/dbraw/zinc/96/03/46/562960346.db2.gz UZOOIPXOYYJULJ-BLIZRMSTSA-N 1 0 463.599 5.928 1 0 in-vivo JKAFRO COc1cccc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)c1 ZINC000013437492 562962488 /nfs/dbraw/zinc/96/24/88/562962488.db2.gz DIDXZHCJRXLXDW-UHFFFAOYSA-N 1 0 463.578 5.352 1 0 JKAFRO COc1ccc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)cc1 ZINC000013437496 562962493 /nfs/dbraw/zinc/96/24/93/562962493.db2.gz NCPSKDPNGOBXLE-UHFFFAOYSA-N 1 0 463.578 5.352 1 0 JKAFRO C[S@](=O)c1ccc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)cc1 ZINC000013437544 562962494 /nfs/dbraw/zinc/96/24/94/562962494.db2.gz ULPDAGPBYPHRDB-PGUFJCEWSA-N 1 0 495.645 5.080 1 0 JKAFRO Cc1cccc(CN(C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC[NH2+]CC2)c1 ZINC000013437294 562962507 /nfs/dbraw/zinc/96/25/07/562962507.db2.gz RAERUCXTDYOQNG-UHFFFAOYSA-N 1 0 474.445 5.192 1 0 JKAFRO c1c(-c2ccccc2)noc1N(CCCC[NH+]1CCCCCC1)Cc1cccc2ccccc21 ZINC000013437469 562962509 /nfs/dbraw/zinc/96/25/09/562962509.db2.gz DQFGAWFTFPIORA-UHFFFAOYSA-N 1 0 453.630 7.158 1 0 JKAFRO Fc1cccc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)c1 ZINC000013437513 562962516 /nfs/dbraw/zinc/96/25/16/562962516.db2.gz LXFFIMKFWKBJDA-UHFFFAOYSA-N 1 0 451.542 5.482 1 0 JKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccccc4F)CC3)CC2)cc1 ZINC000013440391 562962981 /nfs/dbraw/zinc/96/29/81/562962981.db2.gz YSVCGUYNAMXLKT-UHFFFAOYSA-N 1 0 454.655 5.886 1 0 JKAFRO CC(=O)c1cccc(NC(=O)NCCC[N@H+]2CC[C@H](Cc3ccccc3)C[C@@H]2[C@H](O)CC(C)C)c1 ZINC000013443675 562963848 /nfs/dbraw/zinc/96/38/48/562963848.db2.gz YSUSWOLSOLLLPR-RYRVMRHHSA-N 1 0 479.665 5.131 1 0 JKAFRO COc1cccc(NC(=O)N2CCC[C@@H](CC[NH+]3CCC(Cc4ccc(F)cc4)CC3)C2)c1 ZINC000013443602 562963875 /nfs/dbraw/zinc/96/38/75/562963875.db2.gz OXFKSXBVOROLRR-QHCPKHFHSA-N 1 0 453.602 5.423 1 0 JKAFRO COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CC[NH+](C)C)C(=O)[C@@H]2Cc2ccccc2)cc1 ZINC000013450713 562964640 /nfs/dbraw/zinc/96/46/40/562964640.db2.gz IAWUNHZEGQUGDL-BJKOFHAPSA-N 1 0 496.573 5.807 1 0 JKAFRO CCCC[NH+](CCCC)CCCCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1 ZINC000013451468 562964691 /nfs/dbraw/zinc/96/46/91/562964691.db2.gz FZFLBSCDHWFWGS-UHFFFAOYSA-N 1 0 484.706 6.396 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2c(C)cn3ccccc23)cc1 ZINC000013451433 562964752 /nfs/dbraw/zinc/96/47/52/562964752.db2.gz WDHVBVQFLZYGRT-UHFFFAOYSA-N 1 0 456.652 5.752 1 0 JKAFRO O=C1NCCN1CCCCCC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 ZINC000013452504 562964806 /nfs/dbraw/zinc/96/48/06/562964806.db2.gz ARCMZUUOXKBRHF-UHFFFAOYSA-N 1 0 497.058 6.188 1 0 JKAFRO CCOC(=O)[C@H]1CCC[N@H+](CCCCCCOc2ccc3oc(-c4ccccc4)cc(=O)c3c2)C1 ZINC000013454398 562964915 /nfs/dbraw/zinc/96/49/15/562964915.db2.gz DBWCTMRDXGQFNM-QHCPKHFHSA-N 1 0 477.601 5.674 1 0 JKAFRO O=c1cc(-c2ccccc2Cl)oc2ccc(OCCCCCC[NH+]3CCC(O)CC3)cc12 ZINC000013454411 562964923 /nfs/dbraw/zinc/96/49/23/562964923.db2.gz LLQGADIELBOEGZ-UHFFFAOYSA-N 1 0 455.982 5.509 1 0 JKAFRO COc1cc2c(cc1OC/C=C/C[NH+]1CCCC1)ncnc2Nc1ccc(Br)cc1F ZINC000013472785 562966039 /nfs/dbraw/zinc/96/60/39/562966039.db2.gz ZMAGOHAYMIZJEE-SNAWJCMRSA-N 1 0 487.373 5.314 1 0 JKAFRO O=C1Nc2cccc3c2[C@]1(CCCC[NH+]1CCN(c2ccccc2C(F)(F)F)CC1)CCC3 ZINC000013473688 562966387 /nfs/dbraw/zinc/96/63/87/562966387.db2.gz HYXNSCCPMMIWRC-VWLOTQADSA-N 1 0 457.540 5.224 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000013474976 562966872 /nfs/dbraw/zinc/96/68/72/562966872.db2.gz GZYLUVFSBIJQAU-UHFFFAOYSA-N 1 0 472.595 6.272 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Cc3ccc(Br)cc3)CC2)CC1 ZINC000013474970 562966878 /nfs/dbraw/zinc/96/68/78/562966878.db2.gz ZVCMZXYHBQKEGX-UHFFFAOYSA-N 1 0 483.494 6.015 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000013474977 562966891 /nfs/dbraw/zinc/96/68/91/562966891.db2.gz XRUMZMCHUHDEQQ-UHFFFAOYSA-N 1 0 488.594 6.151 1 0 JKAFRO Clc1ccc([C@@H](OCCC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCc2ccccc2)c2ccccc2)cc1 ZINC000013487738 562967905 /nfs/dbraw/zinc/96/79/05/562967905.db2.gz FWDUNHQEFRRJAV-LCKKVHNOSA-N 1 0 474.088 7.712 1 0 JKAFRO CCOc1c(C[NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)cc(Br)cc1SC ZINC000013487783 562967952 /nfs/dbraw/zinc/96/79/52/562967952.db2.gz NCUNWSAIEXYEDQ-UHFFFAOYSA-N 1 0 476.440 5.415 1 0 JKAFRO CC(C)Oc1ccc2cc(C3CC[NH+](C[C@H](O)COc4cccc5[nH]ccc54)CC3)sc2c1 ZINC000013490082 562969146 /nfs/dbraw/zinc/96/91/46/562969146.db2.gz XRZXDKTYUFAGLZ-NRFANRHFSA-N 1 0 464.631 5.789 1 0 JKAFRO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)N1c2ccc(O)cc2CC[C@@H]1c1cccc(O)c1 ZINC000013490108 562969178 /nfs/dbraw/zinc/96/91/78/562969178.db2.gz DSPKFOXJJPPMJT-HHHXNRCGSA-N 1 0 472.585 5.297 1 0 JKAFRO O=C1NCCN1CC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1 ZINC000013493014 562970181 /nfs/dbraw/zinc/97/01/81/562970181.db2.gz GWZCTNJFVWRKTG-UHFFFAOYSA-N 1 0 483.591 5.036 1 0 JKAFRO CCC(=O)O[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1 ZINC000013493985 562970384 /nfs/dbraw/zinc/97/03/84/562970384.db2.gz HAUSKZCLZIFMCQ-RBJSKKJNSA-N 1 0 475.604 6.166 1 0 JKAFRO CN(C)c1cccc(N2CCc3cc(O)ccc3[C@]2(C)c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000013523398 562971101 /nfs/dbraw/zinc/97/11/01/562971101.db2.gz LRBZQKOFLDXLHL-PMERELPUSA-N 1 0 471.645 5.259 1 0 JKAFRO C[C@]1(c2ccc(OCC[NH+]3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(O)c1 ZINC000013523358 562971115 /nfs/dbraw/zinc/97/11/15/562971115.db2.gz UWLIBOKLGCNWFW-LJAQVGFWSA-N 1 0 458.602 5.289 1 0 JKAFRO CC(C)c1cccc(N2CCc3cc(O)ccc3[C@@]2(C)c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000013523386 562971134 /nfs/dbraw/zinc/97/11/34/562971134.db2.gz FZFDZCOFXXVCFT-JGCGQSQUSA-N 1 0 484.684 6.707 1 0 JKAFRO CCNc1cc(-c2c(-c3ccc(F)cc3)nc(SC)n2C2CC(C)(C)[NH2+]C(C)(C)C2)ccn1 ZINC000013524509 562971326 /nfs/dbraw/zinc/97/13/26/562971326.db2.gz XVVXOPCGELRSQC-UHFFFAOYSA-N 1 0 467.658 6.387 1 0 JKAFRO CN1c2ccc(Cl)cc2C(c2ccccc2)=[NH+]C[C@H]1CCNC(=O)c1cc2ccccc2[nH]1 ZINC000013526006 562971423 /nfs/dbraw/zinc/97/14/23/562971423.db2.gz BPJBSDPXZNRLRE-OAQYLSRUSA-N 1 0 456.977 5.297 1 0 JKAFRO COc1c(NCCc2ccccc2)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000013527433 562971788 /nfs/dbraw/zinc/97/17/88/562971788.db2.gz GXOLLDCZLSCRTK-UHFFFAOYSA-N 1 0 492.623 5.160 1 0 JKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000013529360 562972051 /nfs/dbraw/zinc/97/20/51/562972051.db2.gz KYWRASYTPSAUIR-HHHXNRCGSA-N 1 0 465.593 5.621 1 0 JKAFRO COc1ccccc1N1CC[NH+](C[C@H](O)c2oc3ccccc3c2CCc2ccccc2)CC1 ZINC000013529385 562972060 /nfs/dbraw/zinc/97/20/60/562972060.db2.gz HJWAAFLBIVYLHY-SANMLTNESA-N 1 0 456.586 5.082 1 0 JKAFRO CC(C)[NH+](C[C@@H](O)COc1ccc(OCc2ccccc2)cc1C(=O)CCc1ccccc1)C(C)C ZINC000013529254 562972073 /nfs/dbraw/zinc/97/20/73/562972073.db2.gz UTJYXDBWBWOMTF-HHHXNRCGSA-N 1 0 489.656 5.940 1 0 JKAFRO Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NCC[C@H]3CCC[N@H+]3C)sc2c1 ZINC000013534090 562972384 /nfs/dbraw/zinc/97/23/84/562972384.db2.gz IQGKKHLIVABDOF-MRXNPFEDSA-N 1 0 472.014 5.116 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(n2ccnc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534623 562972535 /nfs/dbraw/zinc/97/25/35/562972535.db2.gz JCIUNIFVMIPOCX-JOCHJYFZSA-N 1 0 485.459 5.773 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(n2cncn2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534633 562972537 /nfs/dbraw/zinc/97/25/37/562972537.db2.gz DWDYAJWQAYFICQ-OAQYLSRUSA-N 1 0 486.447 5.168 1 0 JKAFRO C[C@H]1C[C@H](c2cc3cc(Cl)ccc3s2)CC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535704 562972692 /nfs/dbraw/zinc/97/26/92/562972692.db2.gz BGZIQVATPJECEV-QKLQHJQFSA-N 1 0 455.023 6.044 1 0 JKAFRO O=c1c2cc(O)ccc2c2c(n1-c1ccc(OCC[NH+]3CCCCC3)cc1)-c1ccc(O)cc1CC2 ZINC000013558514 562974400 /nfs/dbraw/zinc/97/44/00/562974400.db2.gz WSROZOIOMLHLDF-UHFFFAOYSA-N 1 0 482.580 5.032 1 0 JKAFRO N=C1NC(=[NH2+])N[C@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1c1cccc(Cl)c1 ZINC000013559329 562974868 /nfs/dbraw/zinc/97/48/68/562974868.db2.gz NQOAVWUDLYOSJF-IBGZPJMESA-N 1 0 459.859 5.299 1 0 JKAFRO N=C1NC(=[NH2+])N[C@@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1c1cccc(Cl)c1 ZINC000013559326 562974889 /nfs/dbraw/zinc/97/48/89/562974889.db2.gz MNCDAFBBQIQRLQ-LJQANCHMSA-N 1 0 460.752 5.587 1 0 JKAFRO COc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000013559708 562975052 /nfs/dbraw/zinc/97/50/52/562975052.db2.gz YZZSCHIRBXQHLG-NKHHQPSRSA-N 1 0 485.027 5.995 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Nc3cccc4ccn(C)c43)CC2)CC1 ZINC000013560284 562975248 /nfs/dbraw/zinc/97/52/48/562975248.db2.gz VSXCLFPMMBCXQW-UHFFFAOYSA-N 1 0 458.650 5.366 1 0 JKAFRO Oc1ccc(C2=C(c3ccc(OCC[NH+]4CCCCC4)cc3)Oc3ccc(O)cc3S2)cc1 ZINC000013560493 562975423 /nfs/dbraw/zinc/97/54/23/562975423.db2.gz UVCNFCMLDVBLRS-UHFFFAOYSA-N 1 0 461.583 5.973 1 0 JKAFRO Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@H+]3CCOCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000013580496 562975658 /nfs/dbraw/zinc/97/56/58/562975658.db2.gz PVLOMLBAVRLZPH-FITHBNAOSA-N 1 0 463.568 6.283 1 0 JKAFRO CO[C@@]12CCC(=O)C[C@@]13CC[N@H+](CC1CC1)[C@@H]2Cc1cccc(OCCCc2ccccc2)c13 ZINC000013580314 562975689 /nfs/dbraw/zinc/97/56/89/562975689.db2.gz OBULLBFJGRCFDN-MJLPRTPSSA-N 1 0 459.630 5.115 1 0 JKAFRO CC[C@@H](C(=O)NC1CCCCC1)N(CCC[NH+](CC)CC)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000013581736 562975845 /nfs/dbraw/zinc/97/58/45/562975845.db2.gz XTEGHPCXLGUIGT-SANMLTNESA-N 1 0 466.670 5.083 1 0 JKAFRO COc1cc2sc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]c(C)cc54)[C@@H](C)C3)cc2c(OC)c1 ZINC000013587190 562976864 /nfs/dbraw/zinc/97/68/64/562976864.db2.gz JLSJIJYQIHEWKC-ZCNNSNEGSA-N 1 0 494.657 5.716 1 0 JKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@@H](c3cc4ccc(F)cc4s3)C[C@@H]2C)[nH]1 ZINC000013587195 562976869 /nfs/dbraw/zinc/97/68/69/562976869.db2.gz QTJFUCCBJOSPTA-DSKINZAPSA-N 1 0 452.595 5.838 1 0 JKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@H](c3cc4cccc(F)c4s3)C[C@H]2C)[nH]1 ZINC000013587187 562976972 /nfs/dbraw/zinc/97/69/72/562976972.db2.gz LVZXIRSLFCVVQC-HBFSDRIKSA-N 1 0 452.595 5.838 1 0 JKAFRO COc1cccc2sc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]c(C)cc54)C(C)(C)C3)cc21 ZINC000013587207 562977008 /nfs/dbraw/zinc/97/70/08/562977008.db2.gz SHXLANFHNUNXHR-UXHICEINSA-N 1 0 478.658 6.098 1 0 JKAFRO COc1cccc2sc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]ccc54)C(C)(C)C3)cc21 ZINC000013587205 562977015 /nfs/dbraw/zinc/97/70/15/562977015.db2.gz JELQHHGSVUJHDC-MOPGFXCFSA-N 1 0 464.631 5.789 1 0 JKAFRO CC1CC[NH+](CCOc2ccc(C3=C[C@@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 ZINC000013587734 562977218 /nfs/dbraw/zinc/97/72/18/562977218.db2.gz FHWCPEYOTBGTJH-WJOKGBTCSA-N 1 0 467.609 5.886 1 0 JKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1cnnn12 ZINC000013587841 562977438 /nfs/dbraw/zinc/97/74/38/562977438.db2.gz ZONPPIVGLKRLKQ-MHZLTWQESA-N 1 0 499.405 5.840 1 0 JKAFRO CC(=O)NCC[NH2+]Cc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588183 562977542 /nfs/dbraw/zinc/97/75/42/562977542.db2.gz UGWUUDYHNSCFBW-UHFFFAOYSA-N 1 0 455.587 5.414 1 0 JKAFRO O=C(Nc1ccc2[nH]nc(Cl)c2c1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613325 562979819 /nfs/dbraw/zinc/97/98/19/562979819.db2.gz RDKJBOCQZSAPSZ-MZLICYQSSA-N 1 0 498.046 5.990 1 0 JKAFRO Cc1ccc(F)cc1NC(=O)N[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613277 562979848 /nfs/dbraw/zinc/97/98/48/562979848.db2.gz LRWILVHFHINPBK-WRALFONMSA-N 1 0 455.593 5.908 1 0 JKAFRO COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000013613243 562979862 /nfs/dbraw/zinc/97/98/62/562979862.db2.gz LGJFJZSNTJWEAX-TVZXLZGTSA-N 1 0 453.602 5.469 1 0 JKAFRO CC(=O)c1cccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013613195 562979869 /nfs/dbraw/zinc/97/98/69/562979869.db2.gz KUOOPYAWZGYOPB-IGKIAQTJSA-N 1 0 465.613 5.663 1 0 JKAFRO CCCCCCN(CCCCCC)C(=O)c1c(C)c(N2CC[NH+](C)CC2)nc2ccccc21 ZINC000013644286 562980598 /nfs/dbraw/zinc/98/05/98/562980598.db2.gz FGCFEZQJQQHJNT-UHFFFAOYSA-N 1 0 452.687 5.898 1 0 JKAFRO CCC[NH+](CCC)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 ZINC000013651512 562981709 /nfs/dbraw/zinc/98/17/09/562981709.db2.gz PCBHZADDAGCTKH-UHFFFAOYSA-N 1 0 462.638 5.141 1 0 JKAFRO COc1ccc([C@@H](CC[NH+]2CCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000013661020 562982154 /nfs/dbraw/zinc/98/21/54/562982154.db2.gz JSFWNCOWDQVBSP-XMMPIXPASA-N 1 0 499.607 6.104 3 0 JKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](C)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000013660926 562982164 /nfs/dbraw/zinc/98/21/64/562982164.db2.gz PNFAZOIVFPADBH-DFINWVHASA-N 1 0 491.553 6.610 3 0 JKAFRO COc1ccc([C@H](CC[NH+]2CCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000013661022 562982168 /nfs/dbraw/zinc/98/21/68/562982168.db2.gz JSFWNCOWDQVBSP-DEOSSOPVSA-N 1 0 499.607 6.104 3 0 JKAFRO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[NH+](CC)CC)c1ccc(OC)cc1 ZINC000013661220 562982259 /nfs/dbraw/zinc/98/22/59/562982259.db2.gz BNUZPBVFEWDFDK-DEOSSOPVSA-N 1 0 495.660 6.415 3 0 JKAFRO CC(=O)Nc1ccc(SC[C@H](c2ccccc2)N2CC[N@H+](CCc3ccccc3)CCC2=O)cc1 ZINC000013661807 562982401 /nfs/dbraw/zinc/98/24/01/562982401.db2.gz FIVHDUAHXNAJPQ-MUUNZHRXSA-N 1 0 487.669 5.255 3 0 JKAFRO Cc1c(C(=O)c2ccccc2I)c2ccccc2n1C[C@H]1CCCC[N@H+]1C ZINC000013674193 562982944 /nfs/dbraw/zinc/98/29/44/562982944.db2.gz FPYAVJFDESIWFK-QGZVFWFLSA-N 1 0 472.370 5.270 1 0 JKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCCC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000013674314 562983028 /nfs/dbraw/zinc/98/30/28/562983028.db2.gz MOQCAQOBFUPMGV-UHFFFAOYSA-N 1 0 488.886 7.543 1 0 JKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCC[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000013674306 562983033 /nfs/dbraw/zinc/98/30/33/562983033.db2.gz VDRWTCGLKKUENO-DEOSSOPVSA-N 1 0 488.886 7.543 1 0 JKAFRO Oc1ccc2c(ccc(-c3ccc(F)cc3)c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000013674656 562983039 /nfs/dbraw/zinc/98/30/39/562983039.db2.gz CGNLKIUQLVMBMO-UHFFFAOYSA-N 1 0 457.545 7.009 1 0 JKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCC[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000013674310 562983043 /nfs/dbraw/zinc/98/30/43/562983043.db2.gz NSPOZVUXYQBLBO-SANMLTNESA-N 1 0 454.441 6.889 1 0 JKAFRO Fc1ccc(C(OCCC2CC[NH+](CC3=Cc4ccccc4CC3)CC2)c2ccc(F)cc2)cc1 ZINC000013683688 562984261 /nfs/dbraw/zinc/98/42/61/562984261.db2.gz YNZBLEIRMFZEFB-UHFFFAOYSA-N 1 0 473.607 7.203 1 0 JKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@@H](C2)[N@@H+](C/C=C/c2ccccc2)CC[C@]314 ZINC000013729847 562985164 /nfs/dbraw/zinc/98/51/64/562985164.db2.gz IDQUAQRNJGIRIN-UKOLQDBRSA-N 1 0 460.577 5.761 1 0 JKAFRO Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cc(Cc3ccccc3)cc3c2n1CCC3 ZINC000013740434 562986755 /nfs/dbraw/zinc/98/67/55/562986755.db2.gz YOAOJVQZWHAZDW-UHFFFAOYSA-N 1 0 464.657 5.555 1 0 JKAFRO CCCC[C@@H]1CCc2cc(OC)cc3c(CC[NH+]4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000013740446 562986855 /nfs/dbraw/zinc/98/68/55/562986855.db2.gz FEMWGJLEXOCVFL-XMMPIXPASA-N 1 0 460.666 5.704 1 0 JKAFRO CCc1cc(OCCC[NH+](C)C)ccc1NC(=O)Cc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013741300 562987063 /nfs/dbraw/zinc/98/70/63/562987063.db2.gz BPDGVQGCZVTHEQ-UHFFFAOYSA-N 1 0 479.020 5.645 1 0 JKAFRO CC(C)c1ccc2c(c1)C1(CC[NH+](CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)CC1)OC2 ZINC000013741546 562987094 /nfs/dbraw/zinc/98/70/94/562987094.db2.gz UGCPUNXFTVSQMP-UHFFFAOYSA-N 1 0 496.670 7.737 1 0 JKAFRO O=C(Nc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCCC3)c3ccccc32)cc1)c1ccccc1Cl ZINC000013758008 562988879 /nfs/dbraw/zinc/98/88/79/562988879.db2.gz PMSNZJVELGXKFG-SANMLTNESA-N 1 0 488.031 6.560 1 0 JKAFRO CCC[N@H+](CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(C(C)=O)c2C1 ZINC000013759329 562989204 /nfs/dbraw/zinc/98/92/04/562989204.db2.gz CXIQQOIATMENRH-NRFANRHFSA-N 1 0 470.629 5.087 1 0 JKAFRO O=C1N(CCCC[NH+]2CCN(c3nsc4cc(Cl)ccc43)CC2)CSC12CCCCC2 ZINC000013759404 562989235 /nfs/dbraw/zinc/98/92/35/562989235.db2.gz BGLIAMFGDBYXHI-UHFFFAOYSA-N 1 0 479.115 5.088 1 0 JKAFRO C[C@H]1SC(C)(C)C(=O)N1CCCC[NH+]1CCN(c2cn(-c3ccccc3)c3ccccc23)CC1 ZINC000013759413 562989249 /nfs/dbraw/zinc/98/92/49/562989249.db2.gz KQVBGTRXBYOVJC-JOCHJYFZSA-N 1 0 476.690 5.233 1 0 JKAFRO Cn1c2ccccc2c(CN2CCC([NH+]3CCCCC3)CC2)c1COc1ccc(Cl)cc1 ZINC000013766332 562990622 /nfs/dbraw/zinc/99/06/22/562990622.db2.gz VXWFKWYIVABMRT-UHFFFAOYSA-N 1 0 452.042 5.861 1 0 JKAFRO Fc1ccc(/C=C/C[NH+]2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013778615 562991197 /nfs/dbraw/zinc/99/11/97/562991197.db2.gz YDZYLPUMQSSILT-OWOJBTEDSA-N 1 0 465.559 7.025 1 0 JKAFRO CC[NH+](CC)CCOc1ccc([C@@H]2Oc3cc(O)ccc3-c3sc4cc(O)ccc4c32)cc1 ZINC000013779330 562991398 /nfs/dbraw/zinc/99/13/98/562991398.db2.gz RRXRFYCVBYZMBU-SANMLTNESA-N 1 0 461.583 6.182 1 0 JKAFRO Oc1ccc2c(c1)oc1c2[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(O)ccc2-1 ZINC000013779324 562991427 /nfs/dbraw/zinc/99/14/27/562991427.db2.gz GZZGPSDJPCNNQC-MHZLTWQESA-N 1 0 457.526 5.858 1 0 JKAFRO COc1ccc(CC[NH2+]CCCC[C@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000013780767 562991846 /nfs/dbraw/zinc/99/18/46/562991846.db2.gz PAHAMFYIPSIRLN-VWLOTQADSA-N 1 0 460.618 5.474 1 0 JKAFRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC(C[NH2+]Cc2cccc(-c3ccccc3)n2)CC1 ZINC000013782358 562992493 /nfs/dbraw/zinc/99/24/93/562992493.db2.gz GBTOCKWVZPRJGX-UHFFFAOYSA-N 1 0 454.401 5.697 1 0 JKAFRO Cc1cccc(N2CC[NH+](CCCc3cc(Cl)ccc3OCCc3ccccc3)CC2)n1 ZINC000013795812 562993157 /nfs/dbraw/zinc/99/31/57/562993157.db2.gz DXBQAQOOFQNNMF-UHFFFAOYSA-N 1 0 450.026 5.420 1 0 JKAFRO COC(=O)C(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000013802225 562994294 /nfs/dbraw/zinc/99/42/94/562994294.db2.gz MVHSSBPHEADWGK-UHFFFAOYSA-N 1 0 478.032 5.563 1 0 JKAFRO C[N@H+](CCc1ccc(F)cc1)C[C@H]1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 ZINC000013803919 562994817 /nfs/dbraw/zinc/99/48/17/562994817.db2.gz XVRWPBKYLFMIHN-AREMUKBSSA-N 1 0 460.637 5.818 1 0 JKAFRO Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc3ccccc32)c2ccc(F)cc2)cc1 ZINC000013805878 562995161 /nfs/dbraw/zinc/99/51/61/562995161.db2.gz WCFAGISVWLBGAX-ULJKERAFSA-N 1 0 469.575 7.420 1 0 JKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](C)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)c1 ZINC000013812961 562995834 /nfs/dbraw/zinc/99/58/34/562995834.db2.gz LDJBLILXMXLBFP-JXHURVESSA-N 1 0 458.989 5.640 1 0 JKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](C)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)cc1 ZINC000013812908 562995860 /nfs/dbraw/zinc/99/58/60/562995860.db2.gz IFQHLXCLHLANDD-JXHURVESSA-N 1 0 458.989 5.640 3 0 JKAFRO O=C([O-])[C@@H](C1CC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819435 562997203 /nfs/dbraw/zinc/99/72/03/562997203.db2.gz OPTDOXJRILUDSH-ZGIBFIJWSA-N 1 0 460.662 5.300 1 0 JKAFRO COCC[N@H+](CCOc1ccc(-c2cnc3c(-c4ccsc4)cnn3c2)cc1)Cc1ccccc1 ZINC000013819813 562997250 /nfs/dbraw/zinc/99/72/50/562997250.db2.gz SYXUIDNWCZVPRH-UHFFFAOYSA-N 1 0 484.625 5.652 1 0 JKAFRO CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820037 562997286 /nfs/dbraw/zinc/99/72/86/562997286.db2.gz GMPRLNXHTCYFGT-ZQIDGUAPSA-N 1 0 463.691 5.311 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)N[C@H]1c2cc(F)ccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820102 562997336 /nfs/dbraw/zinc/99/73/36/562997336.db2.gz WHHWDIHXUUGMCX-MUXSNRJPSA-N 1 0 499.671 5.637 1 0 JKAFRO Cc1ccc(N2CC[NH+](CCCC(=O)N[C@H]3c4ccccc4CSc4ccccc43)CC2)cc1 ZINC000013820564 562997478 /nfs/dbraw/zinc/99/74/78/562997478.db2.gz KHFABOMGCQAPGG-LJAQVGFWSA-N 1 0 471.670 5.409 1 0 JKAFRO Cc1ccc(N2CC[NH+](CCCC(=O)N[C@@H]3c4ccccc4CSc4ccccc43)CC2)cc1 ZINC000013820562 562997482 /nfs/dbraw/zinc/99/74/82/562997482.db2.gz KHFABOMGCQAPGG-GDLZYMKVSA-N 1 0 471.670 5.409 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000013824917 562998222 /nfs/dbraw/zinc/99/82/22/562998222.db2.gz HNUBHTPNYJQGMQ-LJAQVGFWSA-N 1 0 476.592 5.745 1 0 JKAFRO NC(=O)c1ccc(OCCC[NH+]2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013824963 562998232 /nfs/dbraw/zinc/99/82/32/562998232.db2.gz RBBRKCHFFYDLHN-UHFFFAOYSA-N 1 0 464.556 5.377 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000013824890 562998237 /nfs/dbraw/zinc/99/82/37/562998237.db2.gz RGPVIYPWZPOWLD-PMERELPUSA-N 1 0 475.604 6.350 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824885 562998246 /nfs/dbraw/zinc/99/82/46/562998246.db2.gz UOVDXOWGCPVUBQ-UHFFFAOYSA-N 1 0 493.594 6.489 1 0 JKAFRO Fc1ccc(C(c2ccc(F)cc2)C2CC[NH+](CCCOc3cccc4ccccc43)CC2)cc1 ZINC000013824980 562998302 /nfs/dbraw/zinc/99/83/02/562998302.db2.gz FCOOXVCEKKFVKU-UHFFFAOYSA-N 1 0 471.591 7.431 1 0 JKAFRO Cn1cc(C2=CC[N@H+](CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc21 ZINC000013826827 562998542 /nfs/dbraw/zinc/99/85/42/562998542.db2.gz NKSXAKPRNJHCLU-UHFFFAOYSA-N 1 0 457.599 5.020 1 0 JKAFRO COc1cc(OC)c([C@H](CC[N@@H+]2CCC[C@@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)cc(C)c12 ZINC000013830767 562999362 /nfs/dbraw/zinc/99/93/62/562999362.db2.gz FDCKOUVEAHEGNE-AUSIDOKSSA-N 1 0 478.633 5.439 1 0 JKAFRO COc1cc(CCc2ccc(C3=Cc4ccccc4C4=[NH+]CC(C)(C)CN34)cc2)cc(OC)c1OC ZINC000013833379 563000415 /nfs/dbraw/zinc/00/04/15/563000415.db2.gz XCDBEFAFOMNDFL-UHFFFAOYSA-N 1 0 482.624 6.098 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccc(Cl)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834288 563000870 /nfs/dbraw/zinc/00/08/70/563000870.db2.gz CXNZLOIPQFMHLT-UHFFFAOYSA-N 1 0 492.040 7.023 1 0 JKAFRO COc1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834284 563000896 /nfs/dbraw/zinc/00/08/96/563000896.db2.gz KOFDGHCTXVZHIH-UHFFFAOYSA-N 1 0 487.621 6.378 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1-c1cccc(F)c1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834305 563000918 /nfs/dbraw/zinc/00/09/18/563000918.db2.gz VUQWRXYPRNBJPA-UHFFFAOYSA-N 1 0 475.585 6.509 1 0 JKAFRO Cc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834290 563000940 /nfs/dbraw/zinc/00/09/40/563000940.db2.gz XRFJZMYJWZRLRB-UHFFFAOYSA-N 1 0 471.622 6.678 1 0 JKAFRO C=Cc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834328 563001000 /nfs/dbraw/zinc/00/10/00/563001000.db2.gz QTRNBRCYOZEWCV-UHFFFAOYSA-N 1 0 483.633 7.013 1 0 JKAFRO COc1ccccc1[C@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000013835148 563001256 /nfs/dbraw/zinc/00/12/56/563001256.db2.gz LXJUOJZFZQVWGH-FQEVSTJZSA-N 1 0 488.472 5.619 1 0 JKAFRO COc1ccccc1N1CC[NH+](CC[C@H](Oc2cccc3ccccc32)c2ccsc2)CC1 ZINC000013861760 563002580 /nfs/dbraw/zinc/00/25/80/563002580.db2.gz FCNUZSYKUANYNY-SANMLTNESA-N 1 0 458.627 6.242 1 0 JKAFRO FC(F)(F)c1ccc(O[C@H](CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 ZINC000013861707 563002609 /nfs/dbraw/zinc/00/26/09/563002609.db2.gz SMCJVPYCSOVUNZ-RUZDIDTESA-N 1 0 474.954 6.691 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CC[N@H+](CC=C(C)C)C[C@@H]2C)cc1 ZINC000013862309 563002810 /nfs/dbraw/zinc/00/28/10/563002810.db2.gz RAPGBRSVBRQUQR-NEKDWFFYSA-N 1 0 463.666 5.992 1 0 JKAFRO COc1c(C(=O)N[C@@H]2CC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)cc(Br)c2ccccc21 ZINC000013862871 563003031 /nfs/dbraw/zinc/00/30/31/563003031.db2.gz XLNJGZHDQBCQJA-CYYXOFGOSA-N 1 0 483.450 5.240 1 0 JKAFRO COc1c(C(=O)N[C@H]2CC[N@@H+](C3C4CC5CC(C4)CC3C5)C2)cc(Br)c2ccccc21 ZINC000013862866 563003068 /nfs/dbraw/zinc/00/30/68/563003068.db2.gz XLNJGZHDQBCQJA-DPQZDQFZSA-N 1 0 483.450 5.240 1 0 JKAFRO COc1c(C(=O)NC2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc(Br)c2ccccc21 ZINC000013862861 563003077 /nfs/dbraw/zinc/00/30/77/563003077.db2.gz YRIMPLNXOIKKMH-UHFFFAOYSA-N 1 0 497.477 5.630 1 0 JKAFRO COc1c(C(=O)NC[C@@H]2CCC[N@@H+]2C2C3CCCC2CCC3)cc(Br)c2ccccc21 ZINC000013862877 563003099 /nfs/dbraw/zinc/00/30/99/563003099.db2.gz OXPSOFUXALIQFQ-MCLLYFMISA-N 1 0 485.466 5.774 1 0 JKAFRO O=C(/C=C/C[NH+]1CCCCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000013863671 563003560 /nfs/dbraw/zinc/00/35/60/563003560.db2.gz XDNJRZIUYRZKNY-VMPITWQZSA-N 1 0 466.383 5.117 1 0 JKAFRO Cc1cc(OCCc2ccc(C[NH3+])cc2)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000013864353 563003984 /nfs/dbraw/zinc/00/39/84/563003984.db2.gz IGFDIXWTCKSYGN-UHFFFAOYSA-N 1 0 466.386 5.150 1 0 JKAFRO O=C(c1ccc(Cl)cc1)N1CCC2(CC1)CC[NH+](Cc1ccccc1Oc1ccccc1)CC2 ZINC000013981733 563005201 /nfs/dbraw/zinc/00/52/01/563005201.db2.gz CSMSBZWRUZAKQB-UHFFFAOYSA-N 1 0 475.032 6.651 1 0 JKAFRO Cc1cc2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nnc2cc1-c1cc(O)ccc1Cl ZINC000013985125 563005340 /nfs/dbraw/zinc/00/53/40/563005340.db2.gz SIUNALDMRGZQBR-UHFFFAOYSA-N 1 0 475.980 5.577 1 0 JKAFRO COc1cc([C@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)NCc2ccccc2)ccc1OCc1ccccc1 ZINC000014953386 563007294 /nfs/dbraw/zinc/00/72/94/563007294.db2.gz DRUZWKULMZFMLK-NDEPHWFRSA-N 1 0 494.595 5.028 1 0 JKAFRO CCC[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014959619 563008249 /nfs/dbraw/zinc/00/82/49/563008249.db2.gz WKYZTNUDHMDOAY-UHFFFAOYSA-N 1 0 483.037 5.664 1 0 JKAFRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959632 563008275 /nfs/dbraw/zinc/00/82/75/563008275.db2.gz XDHLEMSKBSBEDC-UHFFFAOYSA-N 1 0 481.021 5.416 1 0 JKAFRO C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H]5N=C(C(C)(C)C)OC[C@@]45C)C[C@H]3C(=O)C[C@]12C)[NH+](C)C ZINC000014969893 563009556 /nfs/dbraw/zinc/00/95/56/563009556.db2.gz UGJGWPDUYBCBOG-OAOQIFMYSA-N 1 0 498.752 5.515 1 0 JKAFRO CC(C)(C)c1ccccc1N1CC[NH+](CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000014975984 563010264 /nfs/dbraw/zinc/01/02/64/563010264.db2.gz BLCHSWWAUDRFLL-MHZLTWQESA-N 1 0 461.694 5.860 1 0 JKAFRO CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014974937 563010306 /nfs/dbraw/zinc/01/03/06/563010306.db2.gz FQKHRMZPORXQSR-UHFFFAOYSA-N 1 0 463.578 5.279 1 0 JKAFRO CC(C)(C)C1CCC([NH+]2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cccc(F)c23)CC1 ZINC000014977303 563010556 /nfs/dbraw/zinc/01/05/56/563010556.db2.gz ULJCQGLYNWZIBP-UHFFFAOYSA-N 1 0 462.653 6.307 1 0 JKAFRO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Br)cc4)s2)[N@@H+]3C)cc1 ZINC000014978633 563010808 /nfs/dbraw/zinc/01/08/08/563010808.db2.gz PCXXVJSJWKSKBZ-GNXKAVGDSA-N 1 0 453.449 6.615 1 0 JKAFRO COc1cccc(OC)c1C[NH+]1CCC([C@@H](Cc2ccccc2F)N(C)C(=O)c2cccs2)CC1 ZINC000014994504 563011077 /nfs/dbraw/zinc/01/10/77/563011077.db2.gz QZRLXVFSKONMAT-XMMPIXPASA-N 1 0 496.648 5.500 1 0 JKAFRO COc1cccc(OC)c1C[NH+]1CCC([C@H](Cc2ccccc2F)N(C)C(=O)c2cccs2)CC1 ZINC000014994505 563011088 /nfs/dbraw/zinc/01/10/88/563011088.db2.gz QZRLXVFSKONMAT-DEOSSOPVSA-N 1 0 496.648 5.500 1 0 JKAFRO COc1cc(Br)c(-c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1OC ZINC000015936221 563012010 /nfs/dbraw/zinc/01/20/10/563012010.db2.gz BSACPKYHGGSZQG-UHFFFAOYSA-N 1 0 469.384 5.610 3 0 JKAFRO COc1cc(Br)c(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1OC ZINC000015936828 563012193 /nfs/dbraw/zinc/01/21/93/563012193.db2.gz WZULZNKAQIYQMQ-UHFFFAOYSA-N 1 0 487.374 5.749 3 0 JKAFRO CC[C@H]([NH2+][C@H](C)c1ccccc1)[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000017254096 563013938 /nfs/dbraw/zinc/01/39/38/563013938.db2.gz OTSFFBHMKAJEMN-YEOMKBMOSA-N 1 0 481.636 7.007 1 0 JKAFRO COc1ccc([C@@H]2C=CC[N@H+](CC(C)C)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018099327 563014482 /nfs/dbraw/zinc/01/44/82/563014482.db2.gz NNYAVUFUPXYFKX-KYJUHHDHSA-N 1 0 486.631 6.043 1 0 JKAFRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)c(OC)c1OC ZINC000019743573 563015180 /nfs/dbraw/zinc/01/51/80/563015180.db2.gz HACKVEKJIWDVGK-QHCPKHFHSA-N 1 0 496.611 5.611 1 0 JKAFRO c1csc(CNc2nc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)nc3ccccc32)c1 ZINC000020167746 563015823 /nfs/dbraw/zinc/01/58/23/563015823.db2.gz FNJBFIFVNGFODX-SFHVURJKSA-N 1 0 455.587 5.824 1 0 JKAFRO c1c(CCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)onc1-c1ccccc1 ZINC000022924687 563017515 /nfs/dbraw/zinc/01/75/15/563017515.db2.gz ZCBADRQTPNSBSB-UHFFFAOYSA-N 1 0 451.614 6.072 1 0 JKAFRO c1csc(-c2cc(CCCCN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)on2)c1 ZINC000022924682 563017538 /nfs/dbraw/zinc/01/75/38/563017538.db2.gz OTODYHHNOABMMX-UHFFFAOYSA-N 1 0 457.643 6.133 1 0 JKAFRO O[C@@H](CNc1ccccc1)CN1CC[NH+](CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022926445 563017644 /nfs/dbraw/zinc/01/76/44/563017644.db2.gz QZHQEYQOBSXHCY-LJAQVGFWSA-N 1 0 493.642 5.358 1 0 JKAFRO O=C(CCCCN1CC[NH+](CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000022925743 563017653 /nfs/dbraw/zinc/01/76/53/563017653.db2.gz LWDROUBWOBOGMV-UHFFFAOYSA-N 1 0 469.673 5.641 1 0 JKAFRO Fc1ccc(CCC[NH+]2CCN(CCO[C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000022925640 563017676 /nfs/dbraw/zinc/01/76/76/563017676.db2.gz ZYWYGPJJVKXGOA-MUUNZHRXSA-N 1 0 450.573 5.321 1 0 JKAFRO FC(F)(F)c1cc(COC[C@H](c2ccccc2Cl)N2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000022926822 563017748 /nfs/dbraw/zinc/01/77/48/563017748.db2.gz ZVICQCCUPPVYMV-LJQANCHMSA-N 1 0 466.853 5.541 1 0 JKAFRO CCCC[NH+]1CCN([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000022926941 563017772 /nfs/dbraw/zinc/01/77/72/563017772.db2.gz AHZURDXLPGFUJZ-QHCPKHFHSA-N 1 0 488.516 6.400 1 0 JKAFRO COc1ccc(C[NH2+]CCN(C/C=C(\C)CCC=C(C)C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000022927719 563017972 /nfs/dbraw/zinc/01/79/72/563017972.db2.gz SGURFECUJWJUDC-BUVRLJJBSA-N 1 0 496.692 6.006 1 0 JKAFRO Cc1ccc(O)c(N(CCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(C)C)c1 ZINC000022934244 563018818 /nfs/dbraw/zinc/01/88/18/563018818.db2.gz UNGXAWSESDDMLX-SSEXGKCCSA-N 1 0 492.107 6.366 1 0 JKAFRO C[NH+]1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccsc4)C[C@H]23)CC1 ZINC000022935420 563018876 /nfs/dbraw/zinc/01/88/76/563018876.db2.gz GWFKATTZFMEJMS-QFZRFWILSA-N 1 0 491.076 5.132 1 0 JKAFRO Fc1ccc(C(OCC[NH+]2CCN(C/C=C/c3cccs3)CC2)c2ccc(F)cc2)cc1 ZINC000022938584 563019258 /nfs/dbraw/zinc/01/92/58/563019258.db2.gz LYIXFKYBWUFHPR-HNQUOIGGSA-N 1 0 454.586 5.463 1 0 JKAFRO O=C(CCCN1CC[NH+](C2CCCCC2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000022940048 563019446 /nfs/dbraw/zinc/01/94/46/563019446.db2.gz JXIOCKMNOAEWBT-ZQIDGUAPSA-N 1 0 469.739 5.487 1 0 JKAFRO O=C(CCC[NH+]1CCN(Cc2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000022940054 563019457 /nfs/dbraw/zinc/01/94/57/563019457.db2.gz QTYVDNWXAPXPDU-BOCWGRARSA-N 1 0 477.718 5.354 1 0 JKAFRO CCCCCC[N@@H+]1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022939649 563019487 /nfs/dbraw/zinc/01/94/87/563019487.db2.gz FQJZFNOUGGWXCS-UNHDOIQYSA-N 1 0 493.736 6.242 1 0 JKAFRO Fc1ccc(C(OCCN2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000022940931 563019682 /nfs/dbraw/zinc/01/96/82/563019682.db2.gz AXYALKSHJWVKNQ-IHLOFXLRSA-N 1 0 490.638 6.242 1 0 JKAFRO CO[C@H](CNc1ccccc1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022941128 563019819 /nfs/dbraw/zinc/01/98/19/563019819.db2.gz AKDRTSVLFIAYML-GDLZYMKVSA-N 1 0 493.642 5.622 1 0 JKAFRO Cc1nc[nH]c1CN1c2ccccc2C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1CCc1ccccc1 ZINC000025984445 563021043 /nfs/dbraw/zinc/02/10/43/563021043.db2.gz WVMMDJDPEOYFFD-SSEXGKCCSA-N 1 0 492.711 7.039 1 0 JKAFRO CC(C)(C)c1ccc(C[N@H+]2Cc3ccccc3N(Cc3c[nH]cn3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025984357 563021059 /nfs/dbraw/zinc/02/10/59/563021059.db2.gz CCTBRCWXVIUBNA-PMERELPUSA-N 1 0 478.684 6.731 1 0 JKAFRO COc1ccc(CCC[NH+]2CCC(CO[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000026000392 563021345 /nfs/dbraw/zinc/02/13/45/563021345.db2.gz HVIZCDBBFVFTGP-GDLZYMKVSA-N 1 0 464.049 6.799 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2c(cccc2C(N)=O)C1 ZINC000026149820 563022427 /nfs/dbraw/zinc/02/24/27/563022427.db2.gz LKZYQJSJNFLIIO-HHHXNRCGSA-N 1 0 483.656 5.232 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2c(cccc2C(N)=O)C1 ZINC000026149827 563022442 /nfs/dbraw/zinc/02/24/42/563022442.db2.gz LKZYQJSJNFLIIO-MHZLTWQESA-N 1 0 483.656 5.232 1 0 JKAFRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc21 ZINC000026161706 563022913 /nfs/dbraw/zinc/02/29/13/563022913.db2.gz BSAHGGLFJWEDNH-OFNKIYASSA-N 1 0 479.045 5.734 1 0 JKAFRO CCNC(=O)c1ccc(C(c2cccc(O)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2Cl)cc1 ZINC000026183267 563023849 /nfs/dbraw/zinc/02/38/49/563023849.db2.gz DQEZVQATMHYPIQ-WMPKNSHKSA-N 1 0 487.043 6.424 1 0 JKAFRO O=c1oc2ccccc2n1CCCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026187650 563024197 /nfs/dbraw/zinc/02/41/97/563024197.db2.gz XYBZNBKNSSNTBJ-UKILVPOCSA-N 1 0 475.539 5.663 1 0 JKAFRO O=C(c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1)N1CCCC1 ZINC000026248186 563024305 /nfs/dbraw/zinc/02/43/05/563024305.db2.gz BWKJDYXJOPQVRB-QRRGNZNSSA-N 1 0 476.664 6.594 1 0 JKAFRO NC(=O)CC[N@@H+]1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000026246762 563024317 /nfs/dbraw/zinc/02/43/17/563024317.db2.gz OGCFGCUAWCRMRJ-FPOVZHCZSA-N 1 0 474.445 5.322 1 0 JKAFRO CCCCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026248769 563024331 /nfs/dbraw/zinc/02/43/31/563024331.db2.gz DBVBWZUZYDUNJY-QRRGNZNSSA-N 1 0 478.680 6.888 1 0 JKAFRO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026249348 563024398 /nfs/dbraw/zinc/02/43/98/563024398.db2.gz JIWKXPYRGPURED-XNMGPUDCSA-N 1 0 487.550 5.351 1 0 JKAFRO COCCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026253570 563024531 /nfs/dbraw/zinc/02/45/31/563024531.db2.gz IGEYFLCKTFOGCC-RNPORBBMSA-N 1 0 480.652 5.734 1 0 JKAFRO CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CCCCC2)cc1 ZINC000026253581 563024551 /nfs/dbraw/zinc/02/45/51/563024551.db2.gz WBUVKLBYJIXWCO-QRRGNZNSSA-N 1 0 484.728 7.568 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccc(OC)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccs2)cc1 ZINC000026256426 563024638 /nfs/dbraw/zinc/02/46/38/563024638.db2.gz CYZJMSIHNPQBHI-PLQXJYEYSA-N 1 0 472.654 6.135 1 0 JKAFRO CC1(C)Oc2cc(O)ccc2C(c2ccc(OCC[NH+]3CCCCC3)cc2)=C1c1ccccc1 ZINC000026265052 563024788 /nfs/dbraw/zinc/02/47/88/563024788.db2.gz YASDDXZCJVVNMN-UHFFFAOYSA-N 1 0 455.598 6.387 1 0 JKAFRO C[C@@H](c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000026379985 563026634 /nfs/dbraw/zinc/02/66/34/563026634.db2.gz AHUKWGFWYLCACE-QFIPXVFZSA-N 1 0 468.707 5.828 1 0 JKAFRO [NH3+]CCCCC[C@@H](NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026381415 563026776 /nfs/dbraw/zinc/02/67/76/563026776.db2.gz GIFASKJAHARZOW-VWLOTQADSA-N 1 0 482.517 6.109 1 0 JKAFRO Cc1c2cccc3c2n(c1-c1cc(C)c(O)c(C)c1)C[C@@H](CC[NH+]1CCN(c2cc(C)ccn2)CC1)O3 ZINC000026401819 563027570 /nfs/dbraw/zinc/02/75/70/563027570.db2.gz MJROCKFCUPCOPX-RUZDIDTESA-N 1 0 496.655 5.616 1 0 JKAFRO NC(=O)c1ccc2c(c1)CCO[C@H]2CC[N@H+]1CC=C(c2c[nH]c3cc(C(F)(F)F)ccc32)CC1 ZINC000026498159 563028951 /nfs/dbraw/zinc/02/89/51/563028951.db2.gz ULBUUAFUKXEBCK-DEOSSOPVSA-N 1 0 469.507 5.079 1 0 JKAFRO Cc1ccccc1[C@@H](c1ccccc1)[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026506927 563029499 /nfs/dbraw/zinc/02/94/99/563029499.db2.gz NQRYZWXYAFHRHX-HHHXNRCGSA-N 1 0 460.585 5.036 1 0 JKAFRO CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CC[N@H+](C)CCCc1ccccc1 ZINC000026573358 563030216 /nfs/dbraw/zinc/03/02/16/563030216.db2.gz DXNDRYLYGFMZSC-UHFFFAOYSA-N 1 0 452.589 5.567 1 0 JKAFRO O[C@H](CC[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000026576408 563030570 /nfs/dbraw/zinc/03/05/70/563030570.db2.gz HPCHCQKXJNQWHO-MUUNZHRXSA-N 1 0 465.588 5.234 1 0 JKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Br)ccc3c2OCC[C@@H]2CCCC[N@H+]2C)c1 ZINC000026577350 563030759 /nfs/dbraw/zinc/03/07/59/563030759.db2.gz SNKBTPCBBFBFMO-FQEVSTJZSA-N 1 0 469.423 5.828 1 0 JKAFRO CN(C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000026580021 563031364 /nfs/dbraw/zinc/03/13/64/563031364.db2.gz SAAXXRQGKOSDGS-VWLOTQADSA-N 1 0 497.104 6.014 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000026646022 563031717 /nfs/dbraw/zinc/03/17/17/563031717.db2.gz KWNJMHODRWLBPT-NDEPHWFRSA-N 1 0 498.715 6.221 1 0 JKAFRO Clc1ccc([C@H](c2ccccc2)N2CC[NH+](CCOCc3cccc4ccccc43)CC2)cc1 ZINC000026651994 563032172 /nfs/dbraw/zinc/03/21/72/563032172.db2.gz CQSPSDSGIZADRI-PMERELPUSA-N 1 0 471.044 6.417 1 0 JKAFRO CC(C)c1ccc(COCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000026654569 563032265 /nfs/dbraw/zinc/03/22/65/563032265.db2.gz XLXTZKYKNYUDRP-GDLZYMKVSA-N 1 0 463.065 6.387 1 0 JKAFRO COc1ccc(C(=O)N2C[C@H](C[NH+]3CCC(c4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000026653447 563032274 /nfs/dbraw/zinc/03/22/74/563032274.db2.gz ZJRYDZGIZTXHJC-LMSSTIIKSA-N 1 0 454.614 5.431 1 0 JKAFRO Cc1cc(O)cc2c1O[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)[C@H](c1ccc(O)cc1)S2 ZINC000026661275 563032813 /nfs/dbraw/zinc/03/28/13/563032813.db2.gz MKNABPHBCTZSIS-IZLXSDGUSA-N 1 0 477.626 6.238 1 0 JKAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@@H](CC)Cc1ccc(C(C)(C)C)c(OCCCC)c1 ZINC000026663229 563032939 /nfs/dbraw/zinc/03/29/39/563032939.db2.gz LOLDSTKZCIAOHE-HRHCJDDBSA-N 1 0 476.746 5.753 1 0 JKAFRO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2[nH]nc3cccc(OCc4ccc(Cl)c(Cl)c4)c32)C1 ZINC000026727645 563034030 /nfs/dbraw/zinc/03/40/30/563034030.db2.gz OAYAVSHLOXDZCU-JKSUJKDBSA-N 1 0 462.377 5.270 1 0 JKAFRO O=C(NCCCC[N@H+]1CCC[C@H]2c3cccc(O)c3CC[C@@H]21)c1ccc(-c2ccccc2)cc1 ZINC000026733489 563034351 /nfs/dbraw/zinc/03/43/51/563034351.db2.gz AIXVGZUOFPCOMV-XCZPVHLTSA-N 1 0 454.614 5.764 1 0 JKAFRO CC(C)[NH+]1CCN(C(=O)CCc2c3cc(Cl)ccc3n(C)c2-c2ccc(Cl)cc2)CC1 ZINC000026820780 563035598 /nfs/dbraw/zinc/03/55/98/563035598.db2.gz DKPSOKZCQJXNEF-UHFFFAOYSA-N 1 0 458.433 5.637 1 0 JKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)noc2CCc2cccc3ccccc32)C1C(=O)OCC ZINC000026835160 563036533 /nfs/dbraw/zinc/03/65/33/563036533.db2.gz QSQGMIGDWUEHHS-RXDXAXPSSA-N 1 0 488.584 6.123 1 0 JKAFRO COc1ccc(CN[C@H](C[NH2+][C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026997970 563038945 /nfs/dbraw/zinc/03/89/45/563038945.db2.gz BVAQUQXGHOSEIC-NVQXNPDNSA-N 1 0 454.614 5.909 1 0 JKAFRO O=c1oc2cc(O)ccc2c(-c2ccc(OCCCCC[NH+]3CCCCC3)cc2)c1-c1ccccc1 ZINC000027079034 563039015 /nfs/dbraw/zinc/03/90/15/563039015.db2.gz IYXBSSRAVROHEA-UHFFFAOYSA-N 1 0 483.608 6.868 1 0 JKAFRO C[C@H](C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027106317 563040345 /nfs/dbraw/zinc/04/03/45/563040345.db2.gz YOYKYWQOJLXSNN-YWEHKCAJSA-N 1 0 461.671 6.292 1 0 JKAFRO C[C@@H](C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027106308 563040378 /nfs/dbraw/zinc/04/03/78/563040378.db2.gz YOYKYWQOJLXSNN-RBJSKKJNSA-N 1 0 461.671 6.292 1 0 JKAFRO O=C1[C@H](Cc2cccc3ccccc32)N(CCCCc2ccccc2)C(=O)N1CC[NH+]1CCCC1 ZINC000027179172 563040610 /nfs/dbraw/zinc/04/06/10/563040610.db2.gz SHECRVNWDQMYMJ-NDEPHWFRSA-N 1 0 469.629 5.134 1 0 JKAFRO CO/C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000027188370 563040970 /nfs/dbraw/zinc/04/09/70/563040970.db2.gz NAQKKRDQKSXZSM-JTWVDUCRSA-N 1 0 464.437 5.786 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCC[C@@H](CO[C@@H](c3ccccc3)c3ccc(Cl)cc3)C2)cc1 ZINC000027194983 563041174 /nfs/dbraw/zinc/04/11/74/563041174.db2.gz HHXIVTDTGMKZMG-LXFBAYGMSA-N 1 0 450.022 6.409 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3S[C@H]2c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027210432 563041961 /nfs/dbraw/zinc/04/19/61/563041961.db2.gz PJICCNZRIOJESH-IZZNHLLZSA-N 1 0 465.640 6.253 1 0 JKAFRO COc1ccc(C[C@H]2CN3C(=[NH+]C[C@H]3C3CCCCC3)N2[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027211149 563041995 /nfs/dbraw/zinc/04/19/95/563041995.db2.gz CZTBHIMDQIEDMY-SLMYWROTSA-N 1 0 475.721 6.147 1 0 JKAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@@H+]2Cc1ccccc1 ZINC000027211173 563042021 /nfs/dbraw/zinc/04/20/21/563042021.db2.gz DVAFIFWOFNIVEV-XUJYPJAKSA-N 1 0 477.551 5.666 1 0 JKAFRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCCCN1c2ccccc2O[C@H](c2ccc(Cl)c(Cl)c2)C1=O ZINC000027329718 563043123 /nfs/dbraw/zinc/04/31/23/563043123.db2.gz WMQKPPPXTMEXKK-MPCDZSKCSA-N 1 0 475.460 6.893 1 0 JKAFRO C/C(=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1)C(C)C ZINC000027431305 563044136 /nfs/dbraw/zinc/04/41/36/563044136.db2.gz WCBPBBFIAODRLI-AWUJJIRRSA-N 1 0 470.786 7.025 1 0 JKAFRO NC(=[NH2+])c1cccc(C[C@@H](CO)[C@H](/C=C/c2ccccc2)NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000027521985 563045041 /nfs/dbraw/zinc/04/50/41/563045041.db2.gz DJRCYKRRZXJXEI-LLPJSODZSA-N 1 0 489.619 5.301 1 0 JKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2COc2ccc(Cl)cc2Cl)CC1 ZINC000027524782 563045398 /nfs/dbraw/zinc/04/53/98/563045398.db2.gz CIZCFUBQEUPXDQ-UHFFFAOYSA-N 1 0 463.474 6.356 1 0 JKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2CNc2ccc(Cl)cc2Cl)CC1 ZINC000027546509 563045770 /nfs/dbraw/zinc/04/57/70/563045770.db2.gz NENJOUUKLFZAFH-UHFFFAOYSA-N 1 0 462.490 6.389 1 0 JKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000027546857 563045800 /nfs/dbraw/zinc/04/58/00/563045800.db2.gz LHUYMHZFCVCDFV-UHFFFAOYSA-N 1 0 461.458 6.008 1 0 JKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2COc2ccc(-c3ccccc3)cc2)CC1 ZINC000027547377 563045807 /nfs/dbraw/zinc/04/58/07/563045807.db2.gz ZZEMCIRLUYDBBR-UHFFFAOYSA-N 1 0 470.682 6.716 1 0 JKAFRO Brc1ccccc1CO[C@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000027547744 563045829 /nfs/dbraw/zinc/04/58/29/563045829.db2.gz UNKSVANIANTVBC-SXOMAYOGSA-N 1 0 462.431 6.261 1 0 JKAFRO CO[C@@H](c1sc2ccccc2c1CCN1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000027548731 563045869 /nfs/dbraw/zinc/04/58/69/563045869.db2.gz LJDAALZDONFJEB-XMMPIXPASA-N 1 0 477.501 6.512 1 0 JKAFRO CCCN(C(=O)[C@@H](C)C1(O)CC[NH+](CCc2ccccc2Cl)CC1)c1ccccc1OCC ZINC000027554538 563046277 /nfs/dbraw/zinc/04/62/77/563046277.db2.gz SJQMSWVGWHTCHU-OAQYLSRUSA-N 1 0 473.057 5.187 1 0 JKAFRO CC(C)=CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)[C@H]1OC(C)=O ZINC000027557697 563046522 /nfs/dbraw/zinc/04/65/22/563046522.db2.gz MTGALPCIDMQJOU-HHUFISPXSA-N 1 0 486.741 5.588 1 0 JKAFRO COc1ccc(C[C@@H]2[NH2+]CCc3cc4c(cc32)C[C@H]([C@@H](C)CSc2ccccc2)O4)cc1OC ZINC000027561300 563046884 /nfs/dbraw/zinc/04/68/84/563046884.db2.gz LWLPEHDZZFQCBB-YDOVEJIGSA-N 1 0 475.654 5.865 1 0 JKAFRO COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2ccc(CCC[NH+]3CCCCC3)cc2)cc1 ZINC000027564481 563047100 /nfs/dbraw/zinc/04/71/00/563047100.db2.gz YWMGBZLHXVIJDF-UHFFFAOYSA-N 1 0 499.676 7.235 1 0 JKAFRO CN(C)c1ccc(CC(=O)NCCCCCCCCCC[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027650452 563048612 /nfs/dbraw/zinc/04/86/12/563048612.db2.gz PUJBYHNHFFSJKZ-UHFFFAOYSA-N 1 0 467.742 6.091 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)=C2c1cccc(OCC[NH+]2CCCC2)c1 ZINC000027655183 563049042 /nfs/dbraw/zinc/04/90/42/563049042.db2.gz JKCSJNBQYOHEJF-UHFFFAOYSA-N 1 0 455.598 6.300 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000027656117 563049104 /nfs/dbraw/zinc/04/91/04/563049104.db2.gz LLVVLLGAUGKPHK-XZWHSSHBSA-N 1 0 471.641 6.647 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1cccc(OCC[NH+]2CCCC2)c1 ZINC000027656177 563049108 /nfs/dbraw/zinc/04/91/08/563049108.db2.gz PLIUCEMVAGBJSL-FQLXRVMXSA-N 1 0 457.614 6.257 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1cccc(OCC[NH+]2CCCC2)c1 ZINC000027656181 563049185 /nfs/dbraw/zinc/04/91/85/563049185.db2.gz PLIUCEMVAGBJSL-WDYNHAJCSA-N 1 0 457.614 6.257 1 0 JKAFRO Cc1ccc([C@H](c2ccccc2)N2CC[NH+](CCCCNC(=O)/C=C/c3ccc(C)nc3)CC2)cc1 ZINC000027656765 563049227 /nfs/dbraw/zinc/04/92/27/563049227.db2.gz GOEXMGWYKDBGCL-PKEUNGKYSA-N 1 0 482.672 5.015 1 0 JKAFRO C/C(=C\c1ccc(C)nc1)C(=O)NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027657383 563049312 /nfs/dbraw/zinc/04/93/12/563049312.db2.gz KUIDKXXFXOBQDL-WJTDDFOZSA-N 1 0 482.672 5.097 1 0 JKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027708334 563049649 /nfs/dbraw/zinc/04/96/49/563049649.db2.gz XAFAXZAGGLMCOC-UHFFFAOYSA-N 1 0 456.964 6.130 1 0 JKAFRO CC[NH+](CC)CCCNc1ccccc1-c1ccccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000027710985 563049737 /nfs/dbraw/zinc/04/97/37/563049737.db2.gz MQEKPVTVDMTJMF-UHFFFAOYSA-N 1 0 450.026 6.332 1 0 JKAFRO O=c1[nH]c2cc(Cl)ccc2n1C1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027712191 563049856 /nfs/dbraw/zinc/04/98/56/563049856.db2.gz STPGSDDQYNDVMK-UHFFFAOYSA-N 1 0 496.989 6.127 1 0 JKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)C(C2=CC=CN(C(=O)OC(C)(C)C)C2)C1C(=O)OCC(C)C ZINC000027723641 563050374 /nfs/dbraw/zinc/05/03/74/563050374.db2.gz WEZQVLZZUQXUGK-COUQNMRISA-N 1 0 488.625 5.683 1 0 JKAFRO COc1cc2c(cc1OC)[C@H](CC[NH+]1CCN(c3ccccc3Cl)CC1)OCC(C)(C)C2 ZINC000027729882 563050647 /nfs/dbraw/zinc/05/06/47/563050647.db2.gz FKHZSTICIOGZDZ-QHCPKHFHSA-N 1 0 459.030 5.210 1 0 JKAFRO Fc1ccc([C@@H](OCCN2CC[NH+](CCCc3ccccc3)CC2)c2cccc(F)c2)cc1 ZINC000027729930 563050663 /nfs/dbraw/zinc/05/06/63/563050663.db2.gz QSHQYEPLWKSOTM-MUUNZHRXSA-N 1 0 450.573 5.321 1 0 JKAFRO CCCCC(=O)O[C@H]1C(=O)N(CC[NH+](C)C)c2ccc(Cl)cc2S[C@H]1c1ccc(OC)cc1 ZINC000027754190 563051334 /nfs/dbraw/zinc/05/13/34/563051334.db2.gz CJYJYLLYIVLLTE-RPWUZVMVSA-N 1 0 491.053 5.192 1 0 JKAFRO Clc1ccc2scc(Cn3c4cc(Cl)c(Cl)cc4nc3C3CC[NH2+]CC3)c2c1 ZINC000027757138 563051343 /nfs/dbraw/zinc/05/13/43/563051343.db2.gz KECABZBXAOVFDM-UHFFFAOYSA-N 1 0 450.822 6.727 1 0 JKAFRO S=C(NN1CC=C(c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000027842774 563051717 /nfs/dbraw/zinc/05/17/17/563051717.db2.gz WDDYLBZQWILXBT-UHFFFAOYSA-N 1 0 488.745 5.944 1 0 JKAFRO COc1ccc(OC)c2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027849866 563051847 /nfs/dbraw/zinc/05/18/47/563051847.db2.gz RQJFTXKVZDYPLZ-NBGIEHNGSA-N 1 0 477.432 5.163 1 0 JKAFRO COc1cccc2c1CC[C@H]([N@H+](C)Cc1ccccc1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027850687 563051904 /nfs/dbraw/zinc/05/19/04/563051904.db2.gz YEZVNPQPRRUVGH-LSYYVWMOSA-N 1 0 497.466 6.191 1 0 JKAFRO COc1cccc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)CSc1ccc(Cl)c(Cl)c1 ZINC000027855533 563051948 /nfs/dbraw/zinc/05/19/48/563051948.db2.gz HEDSVXYMZUILBJ-URXFXBBRSA-N 1 0 479.473 5.704 1 0 JKAFRO O=C(NN1CC=C(c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)CC1)c1cccc2ccccc21 ZINC000027852237 563051994 /nfs/dbraw/zinc/05/19/94/563051994.db2.gz OTCTVKIZNXONJH-UHFFFAOYSA-N 1 0 464.613 5.394 1 0 JKAFRO CCCCCC[NH2+]C[C@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027879068 563052618 /nfs/dbraw/zinc/05/26/18/563052618.db2.gz RTWUNQLVGDUTLZ-DEOSSOPVSA-N 1 0 471.597 6.037 1 0 JKAFRO COc1cc2c(cc1OC)[C@@](CCC[NH+]1CCN(c3ccccc3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027891724 563052929 /nfs/dbraw/zinc/05/29/29/563052929.db2.gz WACAOMLSBYWCOH-SSEXGKCCSA-N 1 0 490.619 5.262 1 0 JKAFRO O[C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4-c4ccco4)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000027894039 563053012 /nfs/dbraw/zinc/05/30/12/563053012.db2.gz GIRHPTYKUIOUEX-QVDUQQMDSA-N 1 0 464.565 5.127 1 0 JKAFRO O=[S@@](c1ccccc1)[C@H](c1ccccc1)C1(O)CC[NH+](CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000027895879 563053026 /nfs/dbraw/zinc/05/30/26/563053026.db2.gz SFQVLTFYZUJXAH-QRRWFCJLSA-N 1 0 476.617 5.226 1 0 JKAFRO CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1CCc1ccc(S(N)(=O)=O)cc1 ZINC000027994080 563054129 /nfs/dbraw/zinc/05/41/29/563054129.db2.gz FTEWECZEBBXKSK-UHFFFAOYSA-N 1 0 471.646 5.541 1 0 JKAFRO COc1cccc([C@@H]2Sc3ccccc3N2C(C)=O)c1OCCCC[N@H+](C)C1CCCCC1 ZINC000028011376 563054793 /nfs/dbraw/zinc/05/47/93/563054793.db2.gz LJOVLGGLKFMQLM-MHZLTWQESA-N 1 0 468.663 6.276 1 0 JKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)onc2-c2cc(Cl)ccc2OC)C1C(=O)OCC ZINC000028014400 563054943 /nfs/dbraw/zinc/05/49/43/563054943.db2.gz QAHNETHDKINHBR-XJQMLFBMSA-N 1 0 474.941 5.513 1 0 JKAFRO COc1ccc(OCCCCC[N@H+](C)C2CCCCC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028016176 563055106 /nfs/dbraw/zinc/05/51/06/563055106.db2.gz KSUAZGPZFCMAMK-MUUNZHRXSA-N 1 0 482.690 6.666 1 0 JKAFRO COc1ccc(OCCCC[NH+]2CCC(C(=O)c3ccccc3)CC2)c([C@H]2SCCN2C(C)=O)c1 ZINC000028018650 563055177 /nfs/dbraw/zinc/05/51/77/563055177.db2.gz DRQJGGLIVMKLDO-MUUNZHRXSA-N 1 0 496.673 5.043 1 0 JKAFRO [NH3+]Cc1ccccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028021951 563055306 /nfs/dbraw/zinc/05/53/06/563055306.db2.gz OHHPTLSPJDPKPD-UHFFFAOYSA-N 1 0 491.378 6.019 1 0 JKAFRO Clc1ccc([C@H]2C[C@@H]([NH+]3CCN(C/C=C/c4ccccc4)CC3)c3ccccc32)cc1Cl ZINC000028087233 563055528 /nfs/dbraw/zinc/05/55/28/563055528.db2.gz CQHFAVPNRLFXIP-KPCDDBDFSA-N 1 0 463.452 6.901 1 0 JKAFRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028094762 563055772 /nfs/dbraw/zinc/05/57/72/563055772.db2.gz WPXKFLHKZJEIDR-UHFFFAOYSA-N 1 0 471.388 5.735 1 0 JKAFRO O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000028098535 563055955 /nfs/dbraw/zinc/05/59/55/563055955.db2.gz NSLIMXNKWQGFHB-UHFFFAOYSA-N 1 0 483.399 5.879 1 0 JKAFRO CCC(=O)N(c1ccccc1)C1(COC(=O)C(C)(C)C)CC[NH+](CCc2cccs2)CC1 ZINC000028101490 563056052 /nfs/dbraw/zinc/05/60/52/563056052.db2.gz BCDQTSIFQQKWNR-UHFFFAOYSA-N 1 0 456.652 5.158 1 0 JKAFRO C[N@H+](CCCc1ccccc1)[C@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000028123156 563056910 /nfs/dbraw/zinc/05/69/10/563056910.db2.gz FMIDMTMUTLQHNN-YTTGMZPUSA-N 1 0 489.663 6.749 1 0 JKAFRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000028123721 563056947 /nfs/dbraw/zinc/05/69/47/563056947.db2.gz SCTNRJAHTZFGPS-PMERELPUSA-N 1 0 461.609 6.317 1 0 JKAFRO O=C(c1cnc2ccccc2c1)N1CCC([NH+]2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000028130365 563057218 /nfs/dbraw/zinc/05/72/18/563057218.db2.gz WPWOBIYXOOJNTH-UHFFFAOYSA-N 1 0 482.455 6.101 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1)c1ccc(N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000028134101 563057523 /nfs/dbraw/zinc/05/75/23/563057523.db2.gz XNGJGVJVIOZPEE-UHFFFAOYSA-N 1 0 498.648 6.275 1 0 JKAFRO O=C(NCCCCCn1c2cc(Cl)c(Cl)cc2nc1C1CC[NH2+]CC1)c1ccccc1 ZINC000028228617 563058229 /nfs/dbraw/zinc/05/82/29/563058229.db2.gz OMYPTSRUNGZQNP-UHFFFAOYSA-N 1 0 459.421 5.410 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(C(=[NH2+])N3CCCCC3)cc2F)n(-c2cc3ccccc3cc2F)n1 ZINC000028235294 563058413 /nfs/dbraw/zinc/05/84/13/563058413.db2.gz DYJHCTNNQAYHCI-UHFFFAOYSA-N 1 0 473.527 5.676 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(C3=[NH+]CCN3C)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028235191 563058464 /nfs/dbraw/zinc/05/84/64/563058464.db2.gz BHHPGXYNBQCNQM-UHFFFAOYSA-N 1 0 461.928 5.071 1 0 JKAFRO CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C[N@@H+]3CCCCCC[C@@H]3c3ccccc3)[nH]2)c1 ZINC000028237447 563058542 /nfs/dbraw/zinc/05/85/42/563058542.db2.gz QIKNEDWYBRZNKC-AREMUKBSSA-N 1 0 466.647 5.991 1 0 JKAFRO C[C@@H]([C@@H](c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)[NH+](C)C ZINC000028331833 563059615 /nfs/dbraw/zinc/05/96/15/563059615.db2.gz ZYAKTISGGAZUDF-KMRXNPHXSA-N 1 0 457.618 6.332 1 0 JKAFRO C[C@H]([C@@H](c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)[NH+](C)C ZINC000028331840 563059620 /nfs/dbraw/zinc/05/96/20/563059620.db2.gz ZYAKTISGGAZUDF-PIKZIKFNSA-N 1 0 457.618 6.332 1 0 JKAFRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCCNc1nc2ccccc2[nH]1 ZINC000028337760 563060122 /nfs/dbraw/zinc/06/01/22/563060122.db2.gz MOLAOAJXMAKTPM-UHFFFAOYSA-N 1 0 482.220 5.078 1 0 JKAFRO O=C(c1ccccc1Cl)N(CCc1ccccn1)CC1CC[NH+](CCc2ccccc2)CC1 ZINC000028337753 563060126 /nfs/dbraw/zinc/06/01/26/563060126.db2.gz QXHLQTITDCFXFR-UHFFFAOYSA-N 1 0 462.037 5.375 1 0 JKAFRO CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[N@@H+]3CCN(Cc1ccccc1)c1ccccc1 ZINC000028337204 563060138 /nfs/dbraw/zinc/06/01/38/563060138.db2.gz VQLMHRMGNLYMOU-ZRLKGHKBSA-N 1 0 465.641 5.511 1 0 JKAFRO CC(C)(COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)[NH+]1CCCC1 ZINC000028346246 563060812 /nfs/dbraw/zinc/06/08/12/563060812.db2.gz ZTMDXFVSRFQNLX-RRPNLBNLSA-N 1 0 477.626 6.318 1 0 JKAFRO CN(C(=O)Cc1ccc(Cl)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028348305 563060913 /nfs/dbraw/zinc/06/09/13/563060913.db2.gz LOZXEVKVWUWSBV-UHFFFAOYSA-N 1 0 461.049 6.028 1 0 JKAFRO COc1ccc(Cl)c(O[C@@H](CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 ZINC000028351153 563061068 /nfs/dbraw/zinc/06/10/68/563061068.db2.gz ROFZYAIHNKKOTB-QHCPKHFHSA-N 1 0 458.002 5.122 1 0 JKAFRO CCN(C(=O)Nc1ccc(C)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028356084 563061456 /nfs/dbraw/zinc/06/14/56/563061456.db2.gz NRTISXVABIPZBU-UHFFFAOYSA-N 1 0 455.646 6.535 1 0 JKAFRO CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028357885 563061541 /nfs/dbraw/zinc/06/15/41/563061541.db2.gz JTMDMPALVWHPNS-UHFFFAOYSA-N 1 0 496.482 7.144 1 0 JKAFRO CCC[NH+]1CCN(c2cc(-c3ccc(Sc4ccccc4OC)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028357935 563061549 /nfs/dbraw/zinc/06/15/49/563061549.db2.gz FDHIKTFGAVFLBW-UHFFFAOYSA-N 1 0 487.591 6.459 1 0 JKAFRO CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CC[NH+](C)CC3)c2)cc1C(F)(F)F ZINC000028357835 563061557 /nfs/dbraw/zinc/06/15/57/563061557.db2.gz FSPBXYQFTMWQQD-UHFFFAOYSA-N 1 0 471.592 6.794 1 0 JKAFRO Fc1ccc(CNc2nc(NCc3ccc(F)cc3)[nH+]c(NCc3ccc(F)cc3)n2)cc1 ZINC000028369140 563062230 /nfs/dbraw/zinc/06/22/30/563062230.db2.gz RCHQPKITEDZPIX-UHFFFAOYSA-N 1 0 450.468 5.125 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@@H](c2ccc([C@H](O)CC[NH+]3CCCCC3)cc2)c2c(O)cccc2C1 ZINC000028370385 563062316 /nfs/dbraw/zinc/06/23/16/563062316.db2.gz ZJPSGOJUQUBVBJ-GIGWZHCTSA-N 1 0 485.649 6.306 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@H](c2ccc([C@H](O)CC[NH+]3CCCCC3)cc2)c2ccc(O)cc2C1 ZINC000028370707 563062323 /nfs/dbraw/zinc/06/23/23/563062323.db2.gz JCPGSSZRKQLWNX-GGXMVOPNSA-N 1 0 485.649 6.306 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@@H](c2ccc([C@@H](O)CC[NH+]3CCCCC3)cc2)c2ccc(O)cc2C1 ZINC000028370712 563062330 /nfs/dbraw/zinc/06/23/30/563062330.db2.gz JCPGSSZRKQLWNX-WNJJXGMVSA-N 1 0 485.649 6.306 1 0 JKAFRO O=C1OC2(CCC([NH+]3CCC(Cc4ccccc4Cl)CC3)CC2)c2ccc3c(c21)OCCO3 ZINC000028371592 563062343 /nfs/dbraw/zinc/06/23/43/563062343.db2.gz AKBIOWOGSRZVSY-UHFFFAOYSA-N 1 0 467.993 5.374 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@H](c2ccc([C@@H](O)CC[NH+]3CCCCC3)cc2)c2cc(O)ccc2C1 ZINC000028375559 563062577 /nfs/dbraw/zinc/06/25/77/563062577.db2.gz XMVZTBZRGWZAOZ-LITSAYRRSA-N 1 0 485.649 6.306 1 0 JKAFRO O=C(CCc1ccc(Cl)cc1)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028374886 563062579 /nfs/dbraw/zinc/06/25/79/563062579.db2.gz YDDBYJVOJBDBES-UHFFFAOYSA-N 1 0 468.066 5.015 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[N@@H+]3CC[C@H]4C[C@H]43)cc2)cc1 ZINC000028377692 563062799 /nfs/dbraw/zinc/06/27/99/563062799.db2.gz ISNMOIVTZCAIGR-TZGRGIEFSA-N 1 0 461.583 5.538 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccc3c(c2)OCO3)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccsc2)cc1 ZINC000028383799 563063077 /nfs/dbraw/zinc/06/30/77/563063077.db2.gz QUKQPVATDBGMOC-PLQXJYEYSA-N 1 0 486.637 5.855 1 0 JKAFRO S=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1)Nc1ccc(Cl)cc1 ZINC000028391524 563063627 /nfs/dbraw/zinc/06/36/27/563063627.db2.gz UDYGUWMHCTWBSN-UHFFFAOYSA-N 1 0 491.680 5.331 1 0 JKAFRO Fc1ccc(C[NH2+][C@@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)N(Cc3ccc(F)cc3)C2)cc1 ZINC000028393412 563063698 /nfs/dbraw/zinc/06/36/98/563063698.db2.gz KVWQMPXTOQRZSX-JSOSNVBQSA-N 1 0 482.618 6.920 1 0 JKAFRO COCC[NH2+]Cc1ccc(-c2ccc(CN(Cc3cccnc3)C(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000028396768 563063833 /nfs/dbraw/zinc/06/38/33/563063833.db2.gz VBGTUOFTBKOZSM-QGOAFFKASA-N 1 0 491.635 5.727 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3cccc4ccccc43)C[C@H]2Cc2ccccc2)c1 ZINC000028396332 563063871 /nfs/dbraw/zinc/06/38/71/563063871.db2.gz XQCZPAUCNTZZCI-XZWHSSHBSA-N 1 0 462.637 6.462 1 0 JKAFRO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1ccc(Cl)cc1Cl)CC1CC1 ZINC000028461211 563064670 /nfs/dbraw/zinc/06/46/70/563064670.db2.gz DQWKTDIWRKSKCC-UHFFFAOYSA-N 1 0 495.376 7.226 1 0 JKAFRO CCN(Cc1ccco1)c1cc(C)[nH+]c2c1NC(=O)CN2c1ccc(C(C)C)cc1Br ZINC000028462336 563064736 /nfs/dbraw/zinc/06/47/36/563064736.db2.gz NYZRYJPGNDZZEO-UHFFFAOYSA-N 1 0 483.410 5.986 1 0 JKAFRO CCCC[N@H+](CC)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028463402 563064865 /nfs/dbraw/zinc/06/48/65/563064865.db2.gz KFSCTYKMHWPHES-UHFFFAOYSA-N 1 0 456.556 6.844 1 0 JKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cccc2[nH]ccc21 ZINC000028472291 563065500 /nfs/dbraw/zinc/06/55/00/563065500.db2.gz FTRTZQXKLFEYED-FQEVSTJZSA-N 1 0 499.486 5.581 1 0 JKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccccc1Cl ZINC000028474562 563065778 /nfs/dbraw/zinc/06/57/78/563065778.db2.gz AAFZVBOPDUKYEG-LJQANCHMSA-N 1 0 494.894 5.753 1 0 JKAFRO Cc1ccc(NC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028476777 563066092 /nfs/dbraw/zinc/06/60/92/563066092.db2.gz BLKAFNSEWMLWRN-RUZDIDTESA-N 1 0 488.598 5.827 1 0 JKAFRO CC(C)(C)c1ccc([C@H](CNC(=O)Nc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028522228 563066543 /nfs/dbraw/zinc/06/65/43/563066543.db2.gz ZJTXGBBFIYXPJP-MHZLTWQESA-N 1 0 462.682 5.797 1 0 JKAFRO Fc1ccc(CC[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028523033 563066700 /nfs/dbraw/zinc/06/67/00/563066700.db2.gz NITHQGQKKAWDKI-AREMUKBSSA-N 1 0 471.542 5.540 1 0 JKAFRO O=C(Nc1ccccc1NC(=O)c1ccc(Cl)o1)OCC1CCN(c2cc[nH+]cc2)CC1 ZINC000028523359 563066765 /nfs/dbraw/zinc/06/67/65/563066765.db2.gz OLRALOWKTKNRNI-UHFFFAOYSA-N 1 0 454.914 5.045 1 0 JKAFRO O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CC[NH+](CC2)[C@@H]1Cc1cc2ccccc2o1 ZINC000028523202 563066778 /nfs/dbraw/zinc/06/67/78/563066778.db2.gz BBPOVMZPUSFZHL-IFMALSPDSA-N 1 0 455.352 5.449 1 0 JKAFRO O[C@H](C[NH2+]Cc1ccccc1OCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028523460 563066874 /nfs/dbraw/zinc/06/68/74/563066874.db2.gz REPLYXLKVPFGQG-OAQYLSRUSA-N 1 0 469.425 6.126 1 0 JKAFRO NC(=[NH2+])c1ccc2ccc(CN(CCCc3ccccc3)C(=O)c3cccc4ccccc43)cc2c1 ZINC000028523698 563066939 /nfs/dbraw/zinc/06/69/39/563066939.db2.gz XGKMQXPFXMMKBL-UHFFFAOYSA-N 1 0 471.604 6.552 1 0 JKAFRO COc1cc2c(cc1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)N(C(=O)Oc1cccc(C(F)(F)F)c1Cl)CC2 ZINC000028524691 563067255 /nfs/dbraw/zinc/06/72/55/563067255.db2.gz LPIHTSLSRSLMCN-GASCZTMLSA-N 1 0 497.945 5.458 1 0 JKAFRO NC(=[NH2+])c1ccc2ccc(CN(CCc3ccccn3)C(=O)c3cccc4ccccc43)cc2c1 ZINC000028525520 563067658 /nfs/dbraw/zinc/06/76/58/563067658.db2.gz CJAWEOGUOUPXIB-UHFFFAOYSA-N 1 0 458.565 5.557 1 0 JKAFRO O=C(Nc1ccccc1NC(=O)c1ccc(OC(F)F)cc1)OCC1CCN(c2cc[nH+]cc2)CC1 ZINC000028526290 563067922 /nfs/dbraw/zinc/06/79/22/563067922.db2.gz XLTDENXBQIRBGB-UHFFFAOYSA-N 1 0 496.514 5.400 1 0 JKAFRO COc1ccc(N2CCN(c3cccc(Cl)c3Cl)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000028528167 563068184 /nfs/dbraw/zinc/06/81/84/563068184.db2.gz MQAVSMATDCNKPM-UHFFFAOYSA-N 1 0 464.393 5.313 1 0 JKAFRO COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000028528083 563068190 /nfs/dbraw/zinc/06/81/90/563068190.db2.gz YLNIWEXPAFDSQT-UHFFFAOYSA-N 1 0 477.527 5.334 1 0 JKAFRO O[C@H](Cc1ccccc1)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028527813 563068197 /nfs/dbraw/zinc/06/81/97/563068197.db2.gz JHUBTAKOHPGTET-AREMUKBSSA-N 1 0 455.577 5.666 1 0 JKAFRO CC[NH+](CC)CCC[C@H](C)Nc1nc(-c2ccc(O)cc2)cc(-c2ccc(OC)c(OC)c2)n1 ZINC000028530712 563068775 /nfs/dbraw/zinc/06/87/75/563068775.db2.gz BMFOEHHMRCTSLU-IBGZPJMESA-N 1 0 464.610 5.456 1 0 JKAFRO COc1cc(C[NH+]2CCC(N3C(=O)Nc4ccccc4[C@H]3c3ccccc3)CC2)cc(OC)c1OC ZINC000028568208 563070015 /nfs/dbraw/zinc/07/00/15/563070015.db2.gz OYOUVGRLDPUPBY-HHHXNRCGSA-N 1 0 487.600 5.314 1 0 JKAFRO Cc1cc(N(C)CC[NH+](C)C)nc2ccc(NC(=O)C3CCC(c4ccc(Cl)cc4)CC3)cc12 ZINC000028569615 563070482 /nfs/dbraw/zinc/07/04/82/563070482.db2.gz ZNWUBMACIGWLIN-UHFFFAOYSA-N 1 0 479.068 6.107 1 0 JKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000028636851 563071881 /nfs/dbraw/zinc/07/18/81/563071881.db2.gz SLRJADSWYSEKOR-HHHXNRCGSA-N 1 0 457.614 5.197 1 0 JKAFRO O=C(CCc1ccccc1)c1cccc(OC[C@H](O)C[NH2+]CCC(c2ccccc2)c2ccccc2)c1 ZINC000028636598 563071884 /nfs/dbraw/zinc/07/18/84/563071884.db2.gz FRNYASPHBUKIKS-SSEXGKCCSA-N 1 0 493.647 6.054 1 0 JKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC[C@H]([NH+]2CCC(c3ccccc3)CC2)C1 ZINC000028645280 563073235 /nfs/dbraw/zinc/07/32/35/563073235.db2.gz KNQRIAFMOANTIX-OFNKIYASSA-N 1 0 498.511 6.389 1 0 JKAFRO CC(C)c1ccc(C(=O)OCCCC[NH+]2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028650660 563073851 /nfs/dbraw/zinc/07/38/51/563073851.db2.gz QUOAJLYKYXSDOC-UHFFFAOYSA-N 1 0 485.668 7.018 1 0 JKAFRO CC[C@H](c1ccccc1)[NH+]1CCN(c2cc(Oc3cccc4sc(NC(C)=O)nc43)ncn2)CC1 ZINC000028702000 563074551 /nfs/dbraw/zinc/07/45/51/563074551.db2.gz GEOKCXJSXMIFSZ-HXUWFJFHSA-N 1 0 488.617 5.110 1 0 JKAFRO C[N@@H+]1CCc2cc(Cl)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1 ZINC000028704236 563075132 /nfs/dbraw/zinc/07/51/32/563075132.db2.gz CUDIFALFXGTJEV-UHFFFAOYSA-N 1 0 461.414 5.492 1 0 JKAFRO [NH3+]CCCCOc1ccc2c(c1)NC(=O)Cc1c(-c3ccccc3)cc(-c3cccc(Cl)c3)nc1-2 ZINC000028704114 563075139 /nfs/dbraw/zinc/07/51/39/563075139.db2.gz OEEOIMLLUMCHIF-UHFFFAOYSA-N 1 0 483.999 6.348 1 0 JKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](CCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000028710171 563075981 /nfs/dbraw/zinc/07/59/81/563075981.db2.gz JFSBFNPKAYOILM-UHFFFAOYSA-N 1 0 497.683 5.799 1 0 JKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](Cc3cccc(Oc4cc(Cl)cc(Cl)c4)c3)CC2)c1 ZINC000028710582 563076191 /nfs/dbraw/zinc/07/61/91/563076191.db2.gz WDQSMVXIRWFSBZ-UHFFFAOYSA-N 1 0 497.466 7.760 1 0 JKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](Cc3ccc(Oc4ccc(Cl)c(Cl)c4)cc3)CC2)c1 ZINC000028710588 563076202 /nfs/dbraw/zinc/07/62/02/563076202.db2.gz TVUCFWYHYFWZFI-UHFFFAOYSA-N 1 0 497.466 7.760 1 0 JKAFRO CC[N@@H+]1CCC[C@H](Cn2c(=O)c3ccc(-c4ccc(Cl)cc4)cc3nc2-c2ccccc2OC)C1 ZINC000028711903 563076677 /nfs/dbraw/zinc/07/66/77/563076677.db2.gz MGGNRQPTQAHBTN-FQEVSTJZSA-N 1 0 488.031 6.124 1 0 JKAFRO CC[N@@H+]1CCC[C@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2C)C1 ZINC000028711900 563076692 /nfs/dbraw/zinc/07/66/92/563076692.db2.gz GXCPGQHYWOEKEE-NRFANRHFSA-N 1 0 472.032 6.424 1 0 JKAFRO Cc1cnc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4cccs4)n2C)CC3)o1 ZINC000028712459 563076945 /nfs/dbraw/zinc/07/69/45/563076945.db2.gz JYLNFWODPITKFP-UHFFFAOYSA-N 1 0 465.648 5.090 1 0 JKAFRO Cc1cnc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4ccc5[nH]ccc5c4)n2C)CC3)o1 ZINC000028712461 563076970 /nfs/dbraw/zinc/07/69/70/563076970.db2.gz VBQPFBIQLMTMNM-UHFFFAOYSA-N 1 0 498.656 5.510 1 0 JKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(C4CCC(C)CC4)n2C)CC3)no1 ZINC000028712493 563077081 /nfs/dbraw/zinc/07/70/81/563077081.db2.gz SQQYHALTXOFUNG-UHFFFAOYSA-N 1 0 479.694 5.655 1 0 JKAFRO CC(C)(C)c1ccc(CCCC[NH+]2CCC([C@@](O)(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000028755163 563077595 /nfs/dbraw/zinc/07/75/95/563077595.db2.gz KDFLJSUYAYTTKJ-JGCGQSQUSA-N 1 0 490.131 7.608 1 0 JKAFRO O[C@@]12CCCCCC[C@H]3CC[N@H+]4CCC[C@H](CCCCCC[C@H]5CCN(CCC1)[C@@H]2O5)[C@H]4O3 ZINC000028760137 563078114 /nfs/dbraw/zinc/07/81/14/563078114.db2.gz DAHFKODECRYGAQ-ACWZPJHASA-N 1 0 462.719 5.450 1 0 JKAFRO COc1ccc2c(c1)oc(Cc1ccc(Cl)cc1)c2-c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000028761795 563078256 /nfs/dbraw/zinc/07/82/56/563078256.db2.gz ZTAZWDDSICBTEC-UHFFFAOYSA-N 1 0 490.043 7.607 1 0 JKAFRO CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000028764158 563078526 /nfs/dbraw/zinc/07/85/26/563078526.db2.gz QXAWSSWYWHHUAE-HVIPQOSHSA-N 1 0 495.711 5.681 1 0 JKAFRO CC[N@H+](CCCCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2cc(OC)ccc2C1 ZINC000028765464 563078547 /nfs/dbraw/zinc/07/85/47/563078547.db2.gz QWISOXIJIYRLTQ-DEOSSOPVSA-N 1 0 469.622 5.309 1 0 JKAFRO CCCCN[C@H](c1ccc(Cl)cc1Cl)[C@@H]([NH2+]CCCC)c1ccc(Cl)cc1Cl ZINC000028765377 563078571 /nfs/dbraw/zinc/07/85/71/563078571.db2.gz NEQZGYQZBDEPEM-SZPZYZBQSA-N 1 0 462.292 7.862 1 0 JKAFRO CCCCN[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]([NH2+]CCCC)c1ccc(Cl)c(Cl)c1 ZINC000028765081 563078627 /nfs/dbraw/zinc/07/86/27/563078627.db2.gz UXKYQZRABDQNHH-SZPZYZBQSA-N 1 0 462.292 7.862 1 0 JKAFRO CC[NH+](CC)[C@@H]1CCC[C@@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc32)C1 ZINC000028771863 563079137 /nfs/dbraw/zinc/07/91/37/563079137.db2.gz DIBRGGRQKLOHNR-SJLPKXTDSA-N 1 0 458.437 6.745 1 0 JKAFRO CC[NH+](CC)[C@H]1CCC[C@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc32)C1 ZINC000028771870 563079184 /nfs/dbraw/zinc/07/91/84/563079184.db2.gz DIBRGGRQKLOHNR-WMZOPIPTSA-N 1 0 458.437 6.745 1 0 JKAFRO C[NH+]1CCN(CCCOc2ccc(C3O[C@H](c4ccccc4)[C@@H](c4ccccc4)O3)cc2)CC1 ZINC000028816158 563079510 /nfs/dbraw/zinc/07/95/10/563079510.db2.gz FRUGMRIQPAXCAQ-VSGBNLITSA-N 1 0 458.602 5.231 1 0 JKAFRO CON=c1nc[nH]c2c1[n+](CC=C(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)cn2C ZINC000028816604 563079517 /nfs/dbraw/zinc/07/95/17/563079517.db2.gz SQXSPUFOXVOKCO-AYOIDFMMSA-N 1 0 458.715 6.615 1 0 JKAFRO CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC[n+]1cn(C)c2[nH]cnc(=NOC(C)(C)C)c21 ZINC000028816578 563079555 /nfs/dbraw/zinc/07/95/55/563079555.db2.gz NZRZIIUSUVBQSF-QGBZOTKOSA-N 1 0 494.748 7.544 1 0 JKAFRO CON=c1nc[nH]c2c1[n+](CC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)cn2C ZINC000028816606 563079578 /nfs/dbraw/zinc/07/95/78/563079578.db2.gz SQXSPUFOXVOKCO-VLCVKHSRSA-N 1 0 458.715 6.615 1 0 JKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc2nc[nH]c2c(NCc2ccc(Cl)cc2Cl)n1 ZINC000028817828 563079885 /nfs/dbraw/zinc/07/98/85/563079885.db2.gz JRDYRBDZJPIRTQ-CQSZACIVSA-N 1 0 450.418 5.194 1 0 JKAFRO CC[NH+](CC)CCC[C@H](C)Nc1nc2ccccc2c(NCc2ccc(Cl)cc2Cl)n1 ZINC000028817851 563080028 /nfs/dbraw/zinc/08/00/28/563080028.db2.gz UJHLMZOBIOSUBF-KRWDZBQOSA-N 1 0 460.453 6.471 1 0 JKAFRO O=C(N1CCC[C@H]1CCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000028820036 563080474 /nfs/dbraw/zinc/08/04/74/563080474.db2.gz KYUIGEMGEGFVHQ-KXAIUKJUSA-N 1 0 484.128 5.840 1 0 JKAFRO CC[NH+]1CCN(CCc2ccc(Nc3ncc(Cl)c(-c4ccc5cc[nH]c5c4)n3)cc2)CC1 ZINC000028821342 563080678 /nfs/dbraw/zinc/08/06/78/563080678.db2.gz LSPQVYOMPRTETO-UHFFFAOYSA-N 1 0 461.013 5.202 1 0 JKAFRO C[C@@H]1C[N@@H+](Cc2ccc(CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)C[C@H](C)O1 ZINC000028821662 563080773 /nfs/dbraw/zinc/08/07/73/563080773.db2.gz AWVOBGFKVYPFBL-KDURUIRLSA-N 1 0 484.587 7.118 1 0 JKAFRO [NH3+]CCCCCN(C/C=C\c1ccccc1)C(=O)CCc1c(Cc2ccc(O)cc2)[nH]c2ccccc21 ZINC000028825920 563082247 /nfs/dbraw/zinc/08/22/47/563082247.db2.gz JNTKKFNAZFFUOB-XFXZXTDPSA-N 1 0 495.667 6.068 1 0 JKAFRO [NH3+]C1CCC(CC2CCC(N(Cc3ccccc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000028826099 563082338 /nfs/dbraw/zinc/08/23/38/563082338.db2.gz JNXWMNOPMMPNFU-UHFFFAOYSA-N 1 0 485.716 6.986 1 0 JKAFRO [NH3+]C[C@H]1CCC[C@H](CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000028826331 563082416 /nfs/dbraw/zinc/08/24/16/563082416.db2.gz VCADRGFZMDROFP-COCMXYBASA-N 1 0 478.080 6.364 1 0 JKAFRO [NH3+]CC1CCC(CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000028826287 563082427 /nfs/dbraw/zinc/08/24/27/563082427.db2.gz FNSWPCQCHDBPLU-ONUIUJJFSA-N 1 0 478.080 6.364 1 0 JKAFRO [NH3+]C[C@@H]1CCC[C@@H](CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000028826328 563082435 /nfs/dbraw/zinc/08/24/35/563082435.db2.gz VCADRGFZMDROFP-LRTVDTKTSA-N 1 0 478.080 6.364 1 0 JKAFRO Cc1ccc([C@H]([NH3+])CC(C)C)c(N2CCN(C(=O)[C@@H](C)Cc3ccc(Cl)cc3Cl)CC2)n1 ZINC000028826799 563082507 /nfs/dbraw/zinc/08/25/07/563082507.db2.gz BONGGUKXPVMFJN-GAJHUEQPSA-N 1 0 477.480 5.270 1 0 JKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)N1Cc2ccccc2[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000028827045 563082775 /nfs/dbraw/zinc/08/27/75/563082775.db2.gz FIZLAMUFFLKTOQ-YLORPAJWSA-N 1 0 464.502 5.752 1 0 JKAFRO CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4nc(CN5CCCCC5)cs4)ccc32)cc1 ZINC000028827089 563082880 /nfs/dbraw/zinc/08/28/80/563082880.db2.gz ISCCKNOQYHJXGM-RUZDIDTESA-N 1 0 465.688 6.221 1 0 JKAFRO CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4ccc(CN5CCOCC5)cn4)ccc32)cc1 ZINC000028827085 563082917 /nfs/dbraw/zinc/08/29/17/563082917.db2.gz OBQGUQBIJPHQCO-AREMUKBSSA-N 1 0 461.631 5.005 1 0 JKAFRO C[NH+](C)C12C[C@H](OC(=O)c3ccc4c(c3)OCO4)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000028863182 563083437 /nfs/dbraw/zinc/08/34/37/563083437.db2.gz JLNVNQVNEVNIRC-YNGMQFLOSA-N 1 0 469.581 5.622 1 0 JKAFRO CCN(CC)CC(=O)O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863266 563083468 /nfs/dbraw/zinc/08/34/68/563083468.db2.gz GHQSUNITIQBZNO-KVSLOUQESA-N 1 0 474.689 5.846 1 0 JKAFRO O=C(/C=C/c1ccccc1)NCCCCN1CCC[N@@H+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028869815 563084026 /nfs/dbraw/zinc/08/40/26/563084026.db2.gz REVIOUORWMQFEZ-FMQUCBEESA-N 1 0 467.657 5.394 1 0 JKAFRO O=C(NCCCC[NH+]1CCC(N(Cc2ccccc2)c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000028869956 563084069 /nfs/dbraw/zinc/08/40/69/563084069.db2.gz XCARDCCUPWWHMP-UHFFFAOYSA-N 1 0 491.679 6.521 1 0 JKAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(CSC)c3=O)CC2)C(C)C)c1 ZINC000028874758 563084283 /nfs/dbraw/zinc/08/42/83/563084283.db2.gz YVFIDBHSTMIDIS-SANMLTNESA-N 1 0 497.705 5.571 1 0 JKAFRO C[NH+](C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC3=C[C@@H]1O)CC[C@@]1(C)[C@H]4CC[C@@H]1c1ccc2ccncc2c1 ZINC000028872596 563084291 /nfs/dbraw/zinc/08/42/91/563084291.db2.gz ZIMMLBWISNFYGV-KDHYMLRHSA-N 1 0 456.630 5.378 1 0 JKAFRO CCOCn1c2ccccc2n(C2CC[NH+](CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874668 563084316 /nfs/dbraw/zinc/08/43/16/563084316.db2.gz HYIYVZGBQLFOJY-MHZLTWQESA-N 1 0 495.664 5.245 1 0 JKAFRO Fc1ccccc1-c1nc(COc2ccc3c(c2)[C@H](N2CC[NH+](C4CCCC4)CC2)CC3)no1 ZINC000028880889 563084743 /nfs/dbraw/zinc/08/47/43/563084743.db2.gz JZTHVDIHEMBRBU-RUZDIDTESA-N 1 0 462.569 5.002 1 0 JKAFRO OC[C@H]1CCC[N@H+](CCC[C@@H]2CCCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)C1 ZINC000028880958 563084756 /nfs/dbraw/zinc/08/47/56/563084756.db2.gz ISXKOYQKBFARFC-SFTDATJTSA-N 1 0 496.051 5.873 1 0 JKAFRO OC[C@@H]1CCC[N@H+](CCC[C@@H]2CCCc3ccc(OCc4noc(-c5ccccc5F)n4)cc32)C1 ZINC000028880972 563084759 /nfs/dbraw/zinc/08/47/59/563084759.db2.gz RSMAUOLRSZMOCD-RTWAWAEBSA-N 1 0 479.596 5.359 1 0 JKAFRO Cc1ccc2c(cc(Cl)cc2OCC[NH+]2CCC(Cc3ccc4c(c3F)NC(=O)CO4)CC2)n1 ZINC000028887272 563085035 /nfs/dbraw/zinc/08/50/35/563085035.db2.gz CDIJUVQEFYLOLF-UHFFFAOYSA-N 1 0 483.971 5.000 1 0 JKAFRO COc1ccc2nccc([C@H]3CN(C[C@H]4CCC[N@H+](Cc5cc6ccccc6[nH]5)C4)C(=O)O3)c2c1 ZINC000028892403 563085201 /nfs/dbraw/zinc/08/52/01/563085201.db2.gz OBRNQODSNCZSMH-UZTOHYMASA-N 1 0 470.573 5.130 1 0 JKAFRO COc1ccc2nccc([C@H]3CN([C@H]4CCCC[N@H+](Cc5cc6ccccc6[nH]5)C4)C(=O)O3)c2c1 ZINC000028892455 563085254 /nfs/dbraw/zinc/08/52/54/563085254.db2.gz ICBYBDKMACZOTP-KDYSTLNUSA-N 1 0 470.573 5.273 1 0 JKAFRO COc1ccc2nccc([C@H]3CN(C4CC[NH+](Cc5ccc(Cl)cc5)CC4)C(=O)O3)c2c1 ZINC000028893544 563085378 /nfs/dbraw/zinc/08/53/78/563085378.db2.gz PYKMCNKQAJEMGI-XMMPIXPASA-N 1 0 451.954 5.055 1 0 JKAFRO COc1ccc2nccc([C@@H]3CN(C4CC[NH+](Cc5cc6ccccc6s5)CC4)C(=O)O3)c2c1 ZINC000028893399 563085425 /nfs/dbraw/zinc/08/54/25/563085425.db2.gz OMCPFDYSAAARCE-VWLOTQADSA-N 1 0 473.598 5.616 1 0 JKAFRO CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@@H](C)c3ccco3)sc21 ZINC000028901669 563086208 /nfs/dbraw/zinc/08/62/08/563086208.db2.gz OHECYBQYNPYFOO-QGZVFWFLSA-N 1 0 498.048 5.495 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000028903818 563086546 /nfs/dbraw/zinc/08/65/46/563086546.db2.gz WMVFBRXLCXUZAO-XMMPIXPASA-N 1 0 498.074 6.849 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000028903777 563086557 /nfs/dbraw/zinc/08/65/57/563086557.db2.gz PBOMPIPAGGZQEV-QFIPXVFZSA-N 1 0 470.020 6.241 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000028903804 563086571 /nfs/dbraw/zinc/08/65/71/563086571.db2.gz UHFPWYDXZYELGS-HSZRJFAPSA-N 1 0 484.047 6.316 1 0 JKAFRO COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@H](Nc3cc(C)c4ccc(OC)cc4n3)C2)c1 ZINC000028951093 563087056 /nfs/dbraw/zinc/08/70/56/563087056.db2.gz VJSXNOMGSYDDRP-OALUTQOASA-N 1 0 484.438 5.836 1 0 JKAFRO COc1ccc2c(C)cc(N[C@H]3CC[C@H]([NH2+]Cc4cn(C)c5c4ccc4cccnc54)C3)nc2c1 ZINC000028951160 563087080 /nfs/dbraw/zinc/08/70/80/563087080.db2.gz OCYOCCVPAPEXPF-VXKWHMMOSA-N 1 0 465.601 5.715 1 0 JKAFRO Clc1ccc([C@@H](c2ccccc2)c2ccc(OCC[NH+]3CCCCC3)c3ccccc32)cc1 ZINC000028955548 563088256 /nfs/dbraw/zinc/08/82/56/563088256.db2.gz WJVXPTBGRNMSDX-SSEXGKCCSA-N 1 0 456.029 7.538 1 0 JKAFRO Clc1ccc([C@@H](c2ccccc2)c2c(OCC[NH+]3CCCCC3)ccc3ccccc32)cc1 ZINC000028955520 563088257 /nfs/dbraw/zinc/08/82/57/563088257.db2.gz GCHOVNSDTAIRRF-GDLZYMKVSA-N 1 0 456.029 7.538 1 0 JKAFRO Cc1cc(N)[nH+]c(C)c1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F ZINC000028956127 563088373 /nfs/dbraw/zinc/08/83/73/563088373.db2.gz FBBLKDUPIRTTHY-UHFFFAOYSA-N 1 0 476.930 5.136 1 0 JKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(N3CC(=O)N(c4ccc(Cl)c(C(F)(F)F)c4)C3=O)CC1)=CC2 ZINC000028957113 563088429 /nfs/dbraw/zinc/08/84/29/563088429.db2.gz IYIBYPDZCUEKOW-LPHOPBHVSA-N 1 0 495.973 5.584 1 0 JKAFRO CC[NH+]1CCC(COC[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2Cl)CC1 ZINC000028957777 563088517 /nfs/dbraw/zinc/08/85/17/563088517.db2.gz SWLHILHGSMXBOP-DEOSSOPVSA-N 1 0 474.432 5.694 1 0 JKAFRO CC(C)[NH+]1CCC(COC[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2F)CC1 ZINC000028957732 563088531 /nfs/dbraw/zinc/08/85/31/563088531.db2.gz CGNLCPXSULXNCO-VWLOTQADSA-N 1 0 472.004 5.569 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 ZINC000028957859 563088562 /nfs/dbraw/zinc/08/85/62/563088562.db2.gz URQRXSPEEJLVIK-XJXOZCEMSA-N 1 0 487.471 6.180 1 0 JKAFRO O=C(/C=C/c1cc(F)cc(F)c1)N[C@@H]1CC[C@H](C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)C1 ZINC000028957890 563088566 /nfs/dbraw/zinc/08/85/66/563088566.db2.gz JNBDHNIJUIUTOU-ROYYEGQVSA-N 1 0 460.515 5.421 1 0 JKAFRO Cc1ccc(C[NH+]2CCC(CCOc3ccc(-c4nc5cc(C(N)=O)ccc5[nH]4)cc3)CC2)cc1 ZINC000028960901 563088985 /nfs/dbraw/zinc/08/89/85/563088985.db2.gz PMHWBSPJNIWMSY-UHFFFAOYSA-N 1 0 468.601 5.318 1 0 JKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2cccc(Cl)c2)n1 ZINC000028963686 563089195 /nfs/dbraw/zinc/08/91/95/563089195.db2.gz WOWVVRMVWVSWPY-UHFFFAOYSA-N 1 0 486.982 5.925 1 0 JKAFRO Cc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(C[NH+](C)C)ccn43)n2)cc1 ZINC000028963707 563089197 /nfs/dbraw/zinc/08/91/97/563089197.db2.gz NEBRXNXVUOFFFB-UHFFFAOYSA-N 1 0 466.564 5.580 1 0 JKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2ccc(F)cc2)n1 ZINC000028963696 563089222 /nfs/dbraw/zinc/08/92/22/563089222.db2.gz LGOYOPVNRQTDRF-UHFFFAOYSA-N 1 0 470.527 5.410 1 0 JKAFRO Fc1ccc(C(OCCC2CCN(C[C@H]3Cc4ccccc4C[NH2+]3)CC2)c2ccc(F)cc2)cc1 ZINC000028967239 563089488 /nfs/dbraw/zinc/08/94/88/563089488.db2.gz IYYIIKZKWTVDLI-GDLZYMKVSA-N 1 0 476.611 5.887 1 0 JKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CC1 ZINC000028967781 563089519 /nfs/dbraw/zinc/08/95/19/563089519.db2.gz JGTULUAPQFSBCZ-DHIUTWEWSA-N 1 0 498.652 6.085 1 0 JKAFRO O=C(Nc1nc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CC1 ZINC000028967794 563089573 /nfs/dbraw/zinc/08/95/73/563089573.db2.gz JGTULUAPQFSBCZ-PKTZIBPZSA-N 1 0 498.652 6.085 1 0 JKAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCc4cccnc4)cc3)nc2n1 ZINC000028980022 563090455 /nfs/dbraw/zinc/09/04/55/563090455.db2.gz YKSZOTJOGVGVFR-UHFFFAOYSA-N 1 0 463.610 5.808 1 0 JKAFRO CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCC[N@@H+]2CCC[C@@H](O)C2)c2ccccc21 ZINC000029037840 563090592 /nfs/dbraw/zinc/09/05/92/563090592.db2.gz LATWYLCTZRFXDK-RUZDIDTESA-N 1 0 489.704 6.289 1 0 JKAFRO O=C(N[C@@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21)c1ccccc1 ZINC000029038611 563090825 /nfs/dbraw/zinc/09/08/25/563090825.db2.gz AXDZGPVPBMNCMT-AREMUKBSSA-N 1 0 482.653 5.078 1 0 JKAFRO Cc1ccnc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 ZINC000029040899 563091515 /nfs/dbraw/zinc/09/15/15/563091515.db2.gz HTTJCVMWSJWZID-UHFFFAOYSA-N 1 0 483.660 5.391 1 0 JKAFRO CC(=O)N(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000029042592 563091917 /nfs/dbraw/zinc/09/19/17/563091917.db2.gz CHONSLVELBGPOY-RDGATRHJSA-N 1 0 488.459 5.217 1 0 JKAFRO CCN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000029042596 563091933 /nfs/dbraw/zinc/09/19/33/563091933.db2.gz RYEZCLNRKZZJGG-RDGATRHJSA-N 1 0 474.476 5.690 1 0 JKAFRO Fc1ccc(CSc2nc3cc(F)c(N4CC[NH+](CC5CCCCCCC5)CC4)cc3[nH]2)cc1 ZINC000029048612 563092676 /nfs/dbraw/zinc/09/26/76/563092676.db2.gz GJPKKBMGUAKZRZ-UHFFFAOYSA-N 1 0 484.660 6.616 1 0 JKAFRO CN(C)c1ccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)NC3=O)cc1 ZINC000029048749 563092693 /nfs/dbraw/zinc/09/26/93/563092693.db2.gz GLWALUUSYRDZJE-USHMODERSA-N 1 0 495.627 5.205 1 0 JKAFRO O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3cccc(Cl)c3)ccc21 ZINC000029049000 563092812 /nfs/dbraw/zinc/09/28/12/563092812.db2.gz ZSIWPTQNIUFNCS-ONUIUJJFSA-N 1 0 487.003 5.793 1 0 JKAFRO CC[C@]1(CCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2cc(Cl)cc(Cl)c2NC1=O ZINC000029055151 563093473 /nfs/dbraw/zinc/09/34/73/563093473.db2.gz NOWFIMHNXPZVSK-DEOSSOPVSA-N 1 0 480.867 6.239 1 0 JKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2cc(Cl)cc(Cl)c2NC1=O ZINC000029055155 563093503 /nfs/dbraw/zinc/09/35/03/563093503.db2.gz NOWFIMHNXPZVSK-XMMPIXPASA-N 1 0 480.867 6.239 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000029061732 563093971 /nfs/dbraw/zinc/09/39/71/563093971.db2.gz JRAUGJQOFHLBMH-UHFFFAOYSA-N 1 0 467.569 5.105 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccnc4ccccc43)cc1)CC2 ZINC000029064193 563094071 /nfs/dbraw/zinc/09/40/71/563094071.db2.gz IXNDLQJURAGSQH-UHFFFAOYSA-N 1 0 467.569 5.105 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3Br)cc1)CC2 ZINC000029064036 563094094 /nfs/dbraw/zinc/09/40/94/563094094.db2.gz IOPDQFLTYUGXTO-UHFFFAOYSA-N 1 0 495.417 5.319 1 0 JKAFRO Cc1noc2cc3c(cc12)CC[N@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126999 563095454 /nfs/dbraw/zinc/09/54/54/563095454.db2.gz OZZLMZAQJKSGCB-UHFFFAOYSA-N 1 0 498.656 5.371 1 0 JKAFRO CCc1nc2cc3c(cc2o1)CC[N@H+](CCCSc1nnc(-c2ccc(F)c(F)c2)n1C)CC3 ZINC000029127174 563095536 /nfs/dbraw/zinc/09/55/36/563095536.db2.gz JCUBTYXXBDFOHF-UHFFFAOYSA-N 1 0 483.588 5.047 1 0 JKAFRO Cc1nc2c(ccc3c2CC[N@H+](CCCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)o1 ZINC000029127387 563095682 /nfs/dbraw/zinc/09/56/82/563095682.db2.gz HTADTAUIMFMPFI-UHFFFAOYSA-N 1 0 498.656 5.371 1 0 JKAFRO CC(=O)c1cc(NC(=O)N[C@H](C)CC[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(C(C)=O)c1 ZINC000029129115 563096587 /nfs/dbraw/zinc/09/65/87/563096587.db2.gz YMMAHNYFXNAREN-GCJKJVERSA-N 1 0 467.585 5.086 1 0 JKAFRO CC(C)(C)Cn1c(N)[nH+]c2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)cc21 ZINC000029130877 563097064 /nfs/dbraw/zinc/09/70/64/563097064.db2.gz YPPFJYHTYBQSED-UHFFFAOYSA-N 1 0 457.528 6.667 1 0 JKAFRO CC(C)(C)C1CCC([NH+]2CCC(C(=O)NCc3ccccc3)(c3ccccc3F)CC2)CC1 ZINC000029133905 563097696 /nfs/dbraw/zinc/09/76/96/563097696.db2.gz POPQHMZLMOVMIG-UHFFFAOYSA-N 1 0 450.642 6.081 1 0 JKAFRO Fc1ccc([C@](c2ccc(C[NH+]3CCCC3)cc2)(c2ccnc3cc(Cl)ccc32)n2ccnc2)cc1 ZINC000029135409 563098101 /nfs/dbraw/zinc/09/81/01/563098101.db2.gz VBCJCECXNIYPBX-SSEXGKCCSA-N 1 0 497.017 6.660 1 0 JKAFRO Fc1ccc([C@@](c2ccc(C[NH+]3CCCC3)cc2)(c2ccnc3cc(Cl)ccc32)n2ccnc2)cc1 ZINC000029135407 563098139 /nfs/dbraw/zinc/09/81/39/563098139.db2.gz VBCJCECXNIYPBX-PMERELPUSA-N 1 0 497.017 6.660 1 0 JKAFRO FC(F)(F)c1cc(Nc2nc3ccccc3c(NCC[NH+]3CCCC3)n2)cc(C(F)(F)F)c1 ZINC000029205099 563098272 /nfs/dbraw/zinc/09/82/72/563098272.db2.gz UGLNDFMLMRPXMF-UHFFFAOYSA-N 1 0 469.433 5.919 1 0 JKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc2ccccc2c(Nc2cc(OC)c(OC)c(OC)c2)n1 ZINC000029204171 563098297 /nfs/dbraw/zinc/09/82/97/563098297.db2.gz KUNBMVJOLFUGGV-GOSISDBHSA-N 1 0 467.614 5.322 1 0 JKAFRO CC[N@@H+]1CCC[C@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3c(Cl)cc(Cl)cc23)C1 ZINC000029204541 563098309 /nfs/dbraw/zinc/09/83/09/563098309.db2.gz OTPHMFXLNJFYSM-AWEZNQCLSA-N 1 0 485.246 6.883 1 0 JKAFRO c1ccc(COCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4c(c3)NCCC4)cc2)cc1 ZINC000029210607 563098516 /nfs/dbraw/zinc/09/85/16/563098516.db2.gz GWJQLUAVZSLETP-VEEOACQBSA-N 1 0 486.656 5.693 1 0 JKAFRO c1ccc2cc(CO[C@H]3C[NH2+]CC[C@@H]3c3ccc(OCc4nc(-c5cccnc5)no4)cc3)ccc2c1 ZINC000029209798 563098522 /nfs/dbraw/zinc/09/85/22/563098522.db2.gz QPQFSWJMOXNXDH-IZLXSDGUSA-N 1 0 492.579 5.526 1 0 JKAFRO c1ccc(OCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1 ZINC000029211570 563098586 /nfs/dbraw/zinc/09/85/86/563098586.db2.gz CVQOAVLAQRKSIT-JSOSNVBQSA-N 1 0 467.609 6.098 1 0 JKAFRO O=C1c2ccc(O)cc2O[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000029215316 563098655 /nfs/dbraw/zinc/09/86/55/563098655.db2.gz AETJFEZDSLASSU-XTEPFMGCSA-N 1 0 459.542 5.063 1 0 JKAFRO CC(C)(C)[NH2+]C[C@@H](O)c1cc2cccc(CC(=O)OCCC34CC5CC(CC(C5)C3)C4)c2o1 ZINC000029324230 563100348 /nfs/dbraw/zinc/10/03/48/563100348.db2.gz LKEVFSHFIYRLSK-FEPGAULTSA-N 1 0 453.623 5.547 1 0 JKAFRO O=C(c1cccc(Cl)c1)N1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C[C@H]1Cc1ccccc1 ZINC000029389663 563101580 /nfs/dbraw/zinc/10/15/80/563101580.db2.gz MWWOEKASVSVWFT-IZZNHLLZSA-N 1 0 470.016 5.894 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4CCCC4)cc3c2CC[NH2+]CCCCc2cccnc2)c1 ZINC000029417145 563103731 /nfs/dbraw/zinc/10/37/31/563103731.db2.gz YKYNGDCUULJEHS-UHFFFAOYSA-N 1 0 494.683 6.238 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2csc(-c3ccc(OC)cc3)n2)cc1 ZINC000029478660 563105083 /nfs/dbraw/zinc/10/50/83/563105083.db2.gz CMTXZEKFSMZELH-UHFFFAOYSA-N 1 0 452.664 7.157 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000029478668 563105106 /nfs/dbraw/zinc/10/51/06/563105106.db2.gz QYVJGJQKHPENNQ-UHFFFAOYSA-N 1 0 457.083 7.802 1 0 JKAFRO CC(C)(C)c1ccc(/C=C/C(=O)NCCCCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000029480735 563105249 /nfs/dbraw/zinc/10/52/49/563105249.db2.gz CBXCPBKAXMHRQS-DTQAZKPQSA-N 1 0 471.689 6.645 1 0 JKAFRO O=C1NCN(c2ccccc2F)C12CC[NH+](CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029481176 563105320 /nfs/dbraw/zinc/10/53/20/563105320.db2.gz HTQAUFWKUJPHCU-UHFFFAOYSA-N 1 0 494.561 5.061 1 0 JKAFRO O=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccc(Br)cc1 ZINC000029483237 563105429 /nfs/dbraw/zinc/10/54/29/563105429.db2.gz RJZFERPARAPDRR-UHFFFAOYSA-N 1 0 468.439 5.710 1 0 JKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H]([NH2+]CCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000029484845 563105497 /nfs/dbraw/zinc/10/54/97/563105497.db2.gz VEGNKKKSMRIUEO-GDLZYMKVSA-N 1 0 486.704 6.695 1 0 JKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H]([NH2+]CCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000029484848 563105519 /nfs/dbraw/zinc/10/55/19/563105519.db2.gz VEGNKKKSMRIUEO-LJAQVGFWSA-N 1 0 486.704 6.695 1 0 JKAFRO O=c1[nH]c2ccccc2n1CCC[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000029554896 563106601 /nfs/dbraw/zinc/10/66/01/563106601.db2.gz HWJPYHRVTOQZSO-UHFFFAOYSA-N 1 0 480.616 5.107 1 0 JKAFRO CCOc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029559913 563106938 /nfs/dbraw/zinc/10/69/38/563106938.db2.gz LQDTUXYUHTZSFR-UHFFFAOYSA-N 1 0 472.608 5.741 1 0 JKAFRO Fc1ccc(N2c3ccc(F)cc3[C@H]3C[N@@H+](CCn4c5ccccc5c5ccccc54)CC[C@@H]32)cc1 ZINC000029560247 563106975 /nfs/dbraw/zinc/10/69/75/563106975.db2.gz OJYZLPCQFOXATM-JOMNFKBKSA-N 1 0 479.574 7.083 1 0 JKAFRO CN(c1nc2ccccc2n1Cc1ccc(Cl)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000029560623 563107031 /nfs/dbraw/zinc/10/70/31/563107031.db2.gz JHGGHMCZFWSHFU-UHFFFAOYSA-N 1 0 459.037 5.881 1 0 JKAFRO COc1cc(NCCCCCC[NH+]2CCN(C(=O)OCc3ccccc3)CC2)c2nccc(C)c2c1 ZINC000029562207 563107127 /nfs/dbraw/zinc/10/71/27/563107127.db2.gz NSBVAHODWSLGDY-UHFFFAOYSA-N 1 0 490.648 5.479 1 0 JKAFRO CSc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029564731 563107213 /nfs/dbraw/zinc/10/72/13/563107213.db2.gz UJWAKDKCYAQABW-UHFFFAOYSA-N 1 0 474.649 6.065 1 0 JKAFRO COc1cc(NCCCCCC[NH2+]C(C)C)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000029569542 563107617 /nfs/dbraw/zinc/10/76/17/563107617.db2.gz JLHQRSUAFVPFSP-UHFFFAOYSA-N 1 0 489.582 7.333 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2c(O)cccc2C1 ZINC000029569216 563107626 /nfs/dbraw/zinc/10/76/26/563107626.db2.gz RISZOHTXHUANFZ-MHZLTWQESA-N 1 0 456.630 5.839 1 0 JKAFRO CC(C)Cc1[nH]c2c(c1-c1ccccc1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[N@H+]3CC1CC1)[C@H]2O5 ZINC000029570858 563107739 /nfs/dbraw/zinc/10/77/39/563107739.db2.gz IDGCYLAENIUJAG-DZVDWBIPSA-N 1 0 496.651 5.285 1 0 JKAFRO C[NH+](CCCNc1nc2ccccc2n2cccc12)CCCNc1nc2ccccc2n2cccc12 ZINC000029571420 563107757 /nfs/dbraw/zinc/10/77/57/563107757.db2.gz FDLHKNVVJONQRF-UHFFFAOYSA-N 1 0 477.616 5.524 1 0 JKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCc1c(C)cccc1C ZINC000032011544 563109300 /nfs/dbraw/zinc/10/93/00/563109300.db2.gz KKTKDAFNGGNVLM-HSZRJFAPSA-N 1 0 463.666 6.500 1 0 JKAFRO COc1ccc(NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1OCC[NH+](C(C)C)C(C)C ZINC000033990836 563111566 /nfs/dbraw/zinc/11/15/66/563111566.db2.gz WBEWFWWOEMCSAV-YRNVUSSQSA-N 1 0 498.973 6.517 1 0 JKAFRO COc1ccc(CC[NH2+]CCNc2cc(C)nc3c(-c4c(C)cc(C)cc4C)c(C)nn32)cc1 ZINC000033999645 563111596 /nfs/dbraw/zinc/11/15/96/563111596.db2.gz QJJMKLJWZWFUNB-UHFFFAOYSA-N 1 0 457.622 5.191 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCCC3)cc2)c1-c1ccc(O)c(F)c1 ZINC000034015066 563111762 /nfs/dbraw/zinc/11/17/62/563111762.db2.gz NJPDBAAROZVZIV-UHFFFAOYSA-N 1 0 488.603 6.470 1 0 JKAFRO c1ccc(C[NH2+]Cc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000034049450 563111885 /nfs/dbraw/zinc/11/18/85/563111885.db2.gz YPTODVXKEJXEET-LJAQVGFWSA-N 1 0 488.639 5.723 1 0 JKAFRO C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c([C@H](C[NH+](C)C)c3ccccc3)nnc21 ZINC000034187048 563112411 /nfs/dbraw/zinc/11/24/11/563112411.db2.gz SWOIADWBLRUHCX-WZONZLPQSA-N 1 0 455.993 5.526 1 0 JKAFRO C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c([C@H](C[NH+](C)C)c3ccccc3)nnc21 ZINC000034187049 563112432 /nfs/dbraw/zinc/11/24/32/563112432.db2.gz SWOIADWBLRUHCX-FDDCHVKYSA-N 1 0 455.993 5.526 1 0 JKAFRO [NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4nccs4)c3c2)c1)Cc1c[nH]c2ccccc12 ZINC000034271907 563112836 /nfs/dbraw/zinc/11/28/36/563112836.db2.gz NOCALIPCASBYIV-IBGZPJMESA-N 1 0 466.570 5.179 1 0 JKAFRO CC(=O)Nc1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000034289872 563112914 /nfs/dbraw/zinc/11/29/14/563112914.db2.gz GILWJCDRMYAEPK-UHFFFAOYSA-N 1 0 494.582 5.340 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@@](O)(c2ccccc2)c2ccc(F)cc2)CC1 ZINC000034289890 563113017 /nfs/dbraw/zinc/11/30/17/563113017.db2.gz SXNQUTWAVUUOFI-SSEXGKCCSA-N 1 0 491.603 5.454 1 0 JKAFRO CSc1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000034289878 563113029 /nfs/dbraw/zinc/11/30/29/563113029.db2.gz QOPJJFSLKNGBMA-UHFFFAOYSA-N 1 0 483.624 6.104 1 0 JKAFRO C[C@@H]1CN(c2cccc3cc(F)ccc32)CC[N@@H+]1CC[C@H]1OCCc2c(Cl)c(C(N)=O)sc21 ZINC000034313077 563113101 /nfs/dbraw/zinc/11/31/01/563113101.db2.gz CAALEIZWPZRHJM-QVKFZJNVSA-N 1 0 488.028 5.007 1 0 JKAFRO CC(C)n1cnc2c1nc(N[C@@H]1CCC[C@H]([NH3+])C1)nc2NCc1ccc(-c2ccccc2)cc1 ZINC000034356259 563113259 /nfs/dbraw/zinc/11/32/59/563113259.db2.gz SOMXUWPRORRTQU-XZOQPEGZSA-N 1 0 455.610 5.368 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc(Cl)cc1 ZINC000034357803 563113285 /nfs/dbraw/zinc/11/32/85/563113285.db2.gz XNGTUCXVYKSSHF-UHFFFAOYSA-N 1 0 475.032 6.889 1 0 JKAFRO Oc1ccc(-c2c(Cl)c3cc(O)ccc3n2Cc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000034365765 563113397 /nfs/dbraw/zinc/11/33/97/563113397.db2.gz LYDTYRQEQHFCTJ-UHFFFAOYSA-N 1 0 477.004 6.286 1 0 JKAFRO CCCc1cc(NC2CCC2)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000034376920 563113408 /nfs/dbraw/zinc/11/34/08/563113408.db2.gz UKBMUBRWLVXPNM-NTEUORMPSA-N 1 0 453.508 6.822 1 0 JKAFRO Oc1ccc(-c2c(Cl)c3cc(O)ccc3n2Cc2ccc(OCC[NH+]3CCCCCC3)cc2)cc1 ZINC000034366444 563113438 /nfs/dbraw/zinc/11/34/38/563113438.db2.gz SJEGCDZAEAPFLY-UHFFFAOYSA-N 1 0 491.031 6.676 1 0 JKAFRO Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Oc3ccc(F)c(F)c3)n2)cc1 ZINC000034753282 563114965 /nfs/dbraw/zinc/11/49/65/563114965.db2.gz HIPGWLDSFHGAAY-UHFFFAOYSA-N 1 0 451.452 5.141 1 0 JKAFRO CCOc1ccccc1N1CC[NH+](CCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1 ZINC000034801010 563115417 /nfs/dbraw/zinc/11/54/17/563115417.db2.gz FSLSXBDFAIWADY-UHFFFAOYSA-N 1 0 496.655 5.373 1 0 JKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCC[NH+]1CCCCC1)c1ccccc1 ZINC000034804130 563116391 /nfs/dbraw/zinc/11/63/91/563116391.db2.gz BHCROBUDGYXOFC-NRFANRHFSA-N 1 0 487.488 5.157 1 0 JKAFRO Fc1ccc(Nc2ncnc3nc(Nc4ccc(C[NH+]5CCCC5)cc4)sc32)cc1Cl ZINC000034874840 563117183 /nfs/dbraw/zinc/11/71/83/563117183.db2.gz OZKNISAADTWAGZ-UHFFFAOYSA-N 1 0 454.962 5.962 1 0 JKAFRO Fc1ccc(Nc2ncnc3nc(Nc4ccc(C[NH+]5CCCCC5)cc4)sc32)cc1Cl ZINC000034874773 563117204 /nfs/dbraw/zinc/11/72/04/563117204.db2.gz DLMNHRYJMPUZPA-UHFFFAOYSA-N 1 0 468.989 6.352 1 0 JKAFRO Cc1c(NC2CC[NH+](Cc3ccccc3)CC2)ccc2c(=O)n(-c3cccc(Cl)c3)c3nncn3c12 ZINC000034948572 563117631 /nfs/dbraw/zinc/11/76/31/563117631.db2.gz LZSHZAIOGUOIQG-UHFFFAOYSA-N 1 0 499.018 5.072 1 0 JKAFRO CC(C)[C@@H]1C[C@H]([N@H+](C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc32)C1=O ZINC000034982980 563117797 /nfs/dbraw/zinc/11/77/97/563117797.db2.gz MTBTXJDOIZCIGH-FUKQBSRTSA-N 1 0 491.602 5.195 1 0 JKAFRO COc1ccc2c(c[n+]3c(c2Cc2cc(F)c(F)c(F)c2)-c2cc4c(cc2CC3)OCO4)c1OC ZINC000035014871 563118279 /nfs/dbraw/zinc/11/82/79/563118279.db2.gz AMMLRQDPEBOBLS-UHFFFAOYSA-N 1 0 480.462 5.104 1 0 JKAFRO COC(=O)CCCCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000035050544 563118597 /nfs/dbraw/zinc/11/85/97/563118597.db2.gz KRYUFCNBZSXGMR-OHPSOFBHSA-N 1 0 459.715 5.885 1 0 JKAFRO CC(C)(C)[NH2+]Cc1c(Nc2ccnc3cc(Cl)ccc32)cc(O)cc1-c1ccc(C(F)(F)F)cc1 ZINC000035259260 563119517 /nfs/dbraw/zinc/11/95/17/563119517.db2.gz JIUMHWJWCGIYDR-UHFFFAOYSA-N 1 0 499.964 7.911 1 0 JKAFRO CC(C)(C)c1ccc(-c2nc3c(cccc3N3CC[NH+](Cc4cccc5nccnc45)CC3)[nH]2)cc1 ZINC000035872662 563120941 /nfs/dbraw/zinc/12/09/41/563120941.db2.gz MRIRODCBQYGJJC-UHFFFAOYSA-N 1 0 476.628 5.793 1 0 JKAFRO Cc1ccc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)CCc2ccccc2)cc1C ZINC000035873088 563120968 /nfs/dbraw/zinc/12/09/68/563120968.db2.gz CKKMHIDCPGJNCQ-UHFFFAOYSA-N 1 0 485.628 5.493 1 0 JKAFRO O=C(Nc1ccc(F)cc1)O[C@@H](CC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000035974598 563121638 /nfs/dbraw/zinc/12/16/38/563121638.db2.gz MHBIIYXHZOETAS-VWLOTQADSA-N 1 0 482.983 6.143 1 0 JKAFRO O=c1c2ccccc2nc(-c2ccc(OCCC[NH+]3CCCCC3)cc2)n1Cc1ccccc1 ZINC000035984887 563121695 /nfs/dbraw/zinc/12/16/95/563121695.db2.gz YOQCIOKHHDUPPQ-UHFFFAOYSA-N 1 0 453.586 5.367 1 0 JKAFRO [NH3+][C@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000036093122 563122173 /nfs/dbraw/zinc/12/21/73/563122173.db2.gz YGBCDXIPWNLLEI-MUUNZHRXSA-N 1 0 464.600 5.743 1 0 JKAFRO CC(C)(C)c1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)cc1 ZINC000036127092 563122626 /nfs/dbraw/zinc/12/26/26/563122626.db2.gz ILMZGRFZRBXPAP-UHFFFAOYSA-N 1 0 471.580 6.161 1 0 JKAFRO OC[C@H]1CCC[N@H+](CCC[C@H]2CCCc3ccc(OCc4noc(-c5ccccc5F)n4)cc32)C1 ZINC000036126807 563122644 /nfs/dbraw/zinc/12/26/44/563122644.db2.gz RSMAUOLRSZMOCD-LEWJYISDSA-N 1 0 479.596 5.359 1 0 JKAFRO Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Oc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000036127066 563122647 /nfs/dbraw/zinc/12/26/47/563122647.db2.gz PZXFHRFROUTHTR-UHFFFAOYSA-N 1 0 484.362 6.170 1 0 JKAFRO CC[NH+](CC)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc([C@@H](C)c2ccccc2)n1 ZINC000036161080 563123050 /nfs/dbraw/zinc/12/30/50/563123050.db2.gz JNCUESRTBKMNOB-NRFANRHFSA-N 1 0 479.603 6.591 1 0 JKAFRO CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@]1(CCCC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000036184655 563123669 /nfs/dbraw/zinc/12/36/69/563123669.db2.gz WOAHQSQWLSCAPA-GDLZYMKVSA-N 1 0 490.598 5.960 1 0 JKAFRO Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000036216440 563124309 /nfs/dbraw/zinc/12/43/09/563124309.db2.gz AYHUGSDYEPBTFK-UHFFFAOYSA-N 1 0 459.446 6.320 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2cccc3ccccc32)CC1 ZINC000036285723 563125254 /nfs/dbraw/zinc/12/52/54/563125254.db2.gz SPGJQQFMECWLOW-DEOSSOPVSA-N 1 0 499.577 5.632 1 0 JKAFRO COc1ccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000036285419 563125257 /nfs/dbraw/zinc/12/52/57/563125257.db2.gz XLQHHMIAYGQQKR-QHCPKHFHSA-N 1 0 477.571 5.041 1 0 JKAFRO COc1ccccc1CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000036285577 563125268 /nfs/dbraw/zinc/12/52/68/563125268.db2.gz JZEJKYZZZLDVRV-QFIPXVFZSA-N 1 0 477.571 5.041 1 0 JKAFRO COc1ccc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000036285907 563125364 /nfs/dbraw/zinc/12/53/64/563125364.db2.gz ONRCMIPGIAKGAP-CYFREDJKSA-N 1 0 491.598 5.287 1 0 JKAFRO C[NH+](C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(Cl)cc5Cl)ccc4c3=O)cn2)C1 ZINC000036351530 563126852 /nfs/dbraw/zinc/12/68/52/563126852.db2.gz DBDZPSIDZCVRCS-LJQANCHMSA-N 1 0 480.395 5.969 1 0 JKAFRO Cn1cc(-c2ccc(N3CC[C@@H]([NH+](C)C)C3)nc2)c(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc21 ZINC000036351529 563126890 /nfs/dbraw/zinc/12/68/90/563126890.db2.gz SIBZEQKWAZXRSW-JOCHJYFZSA-N 1 0 492.545 5.427 1 0 JKAFRO C[NH+](C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5cnccc5C(F)(F)F)ccc4c3=O)cn2)C1 ZINC000036351545 563126976 /nfs/dbraw/zinc/12/69/76/563126976.db2.gz RYGNGVJAAJRDMC-GOSISDBHSA-N 1 0 480.490 5.076 1 0 JKAFRO CCCc1cc(N(CC)CC)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000036351931 563127190 /nfs/dbraw/zinc/12/71/90/563127190.db2.gz FYXAYDYUZPOYEP-XNTDXEJSSA-N 1 0 455.524 6.704 1 0 JKAFRO COc1cc(OC)c([C@@H](CC[N@@H+]2CCC[C@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)ccc12 ZINC000036378312 563127289 /nfs/dbraw/zinc/12/72/89/563127289.db2.gz DWPABXSZAMPFCK-UGKGYDQZSA-N 1 0 464.606 5.130 3 0 JKAFRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc21 ZINC000036476058 563130458 /nfs/dbraw/zinc/13/04/58/563130458.db2.gz ZZLJUUCFYIBWJN-CQLNOVPUSA-N 1 0 456.508 6.130 1 0 JKAFRO CCO[C@H]1C[N@H+](C)CCN1c1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1 ZINC000037858303 563130850 /nfs/dbraw/zinc/13/08/50/563130850.db2.gz MBXYRBTXYNKZPP-SANMLTNESA-N 1 0 482.632 5.475 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)CC[C@H](C[NH+]1CCCCC1)C2 ZINC000038149691 563132065 /nfs/dbraw/zinc/13/20/65/563132065.db2.gz ZHPSMWWFXSXWBZ-IBGZPJMESA-N 1 0 490.072 6.358 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)CCC(C[NH+]1CCCC1)=C2 ZINC000038149698 563132067 /nfs/dbraw/zinc/13/20/67/563132067.db2.gz WUAXCPYYHBPYFR-UHFFFAOYSA-N 1 0 474.029 6.193 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)CC[C@@H](C[NH+]1CCCC1)C2 ZINC000038149694 563132070 /nfs/dbraw/zinc/13/20/70/563132070.db2.gz LCFDTYGDUUJULJ-GOSISDBHSA-N 1 0 476.045 5.968 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)CC[C@H](C[NH+]1CCCC1)C2 ZINC000038149693 563132078 /nfs/dbraw/zinc/13/20/78/563132078.db2.gz LCFDTYGDUUJULJ-SFHVURJKSA-N 1 0 476.045 5.968 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)OC[C@@H](C[NH+]1CCCC1)O2 ZINC000038149704 563132103 /nfs/dbraw/zinc/13/21/03/563132103.db2.gz LXZGGZWBBGPVIA-LJQANCHMSA-N 1 0 479.989 5.003 1 0 JKAFRO C[NH+](C)Cc1cc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2s1 ZINC000038149690 563132120 /nfs/dbraw/zinc/13/21/20/563132120.db2.gz XJMIODNDCXPYKT-UHFFFAOYSA-N 1 0 452.004 6.044 1 0 JKAFRO C[C@@H](Oc1cc(-c2cnn([C@H]3CCC[NH2+]C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000038210765 563133113 /nfs/dbraw/zinc/13/31/13/563133113.db2.gz WRFQMXGREAFPSC-DOMZBBRYSA-N 1 0 450.345 5.038 1 0 JKAFRO C[C@@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccc(C[NH2+]C(C)(C)C)cc1Cl ZINC000038270151 563133767 /nfs/dbraw/zinc/13/37/67/563133767.db2.gz ULCNSCGRRQQMIS-OAHLLOKOSA-N 1 0 483.037 5.843 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCCCC3)cc2)c1-c1ccc(O)cc1 ZINC000038382792 563134159 /nfs/dbraw/zinc/13/41/59/563134159.db2.gz NPZACNAERPDSGY-UHFFFAOYSA-N 1 0 484.640 6.721 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)c1-c1ccc(O)cc1 ZINC000038381697 563134177 /nfs/dbraw/zinc/13/41/77/563134177.db2.gz HVJUNBINGYMAHO-NRFANRHFSA-N 1 0 470.613 6.187 1 0 JKAFRO O=C(Nc1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)C1CCC1 ZINC000038473704 563134756 /nfs/dbraw/zinc/13/47/56/563134756.db2.gz FAPBWZUNGKHHJO-GOSISDBHSA-N 1 0 493.431 5.015 1 0 JKAFRO CCCC[NH+](CCCC)CCOc1cc2c(cc1OC)CCN2C(=O)/C=C/c1ccccc1Cl ZINC000038473109 563134763 /nfs/dbraw/zinc/13/47/63/563134763.db2.gz NPBLXYGMLFQJIN-OUKQBFOZSA-N 1 0 485.068 6.232 1 0 JKAFRO OCc1cc([C@H](O)C[NH2+]CCc2ccc(Nc3cccc(-c4ccccc4)c3)cc2)ccc1O ZINC000038480773 563134854 /nfs/dbraw/zinc/13/48/54/563134854.db2.gz PKTWFFHSTPILMD-GDLZYMKVSA-N 1 0 454.570 5.161 1 0 JKAFRO COc1ccc2c(c1)N(C(=O)CCSC[C@@H]1CCC[N@@H+]3CCCC[C@H]13)c1ccccc1S2 ZINC000038748542 563135298 /nfs/dbraw/zinc/13/52/98/563135298.db2.gz SPQPJIRYFBSHIA-PZJWPPBQSA-N 1 0 468.688 6.212 1 0 JKAFRO CCCCCC[NH2+]CCOc1ccc(C(=O)c2c3ccc(O)cc3sc2-c2ccc(O)cc2)cc1 ZINC000038749516 563135358 /nfs/dbraw/zinc/13/53/58/563135358.db2.gz NQORXCIHRWFUEJ-UHFFFAOYSA-N 1 0 489.637 6.759 1 0 JKAFRO c1ccc(COc2ccc(C[C@@H](c3ccccc3)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1 ZINC000039233862 563136512 /nfs/dbraw/zinc/13/65/12/563136512.db2.gz KDDGMZCMBIXENA-HKBQPEDESA-N 1 0 454.658 6.500 1 0 JKAFRO O=C1Nc2cc(-n3cccc3)ccc2C1=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000039351406 563136737 /nfs/dbraw/zinc/13/67/37/563136737.db2.gz YAMIPYKDNHDYAS-FLWNBWAVSA-N 1 0 474.608 6.396 1 0 JKAFRO Oc1ccc2c3c1O[C@@H]1[C@H]4OC[C@@]4(CCCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000040368717 563137004 /nfs/dbraw/zinc/13/70/04/563137004.db2.gz ODGILRURLOMZQR-MUGBZZHYSA-N 1 0 471.641 5.250 1 0 JKAFRO COc1ccc2c3c1O[C@@H]1C(=O)[C@](C)(CCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000040368774 563137073 /nfs/dbraw/zinc/13/70/73/563137073.db2.gz VVFHKDWGBNJOKO-HCTLCFFBSA-N 1 0 499.695 6.133 1 0 JKAFRO COc1cccc(CCc2ccccc2OCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000040380063 563137456 /nfs/dbraw/zinc/13/74/56/563137456.db2.gz ZYTBQQBJAVGRKU-UHFFFAOYSA-N 1 0 498.589 6.090 1 0 in-vitro JKAFRO Fc1ccc(-c2nc(C3CC[NH+](Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)c[nH]2)cc1 ZINC000040380293 563137556 /nfs/dbraw/zinc/13/75/56/563137556.db2.gz SXANPFLIRXLTLG-UHFFFAOYSA-N 1 0 468.498 6.405 1 0 JKAFRO Fc1ccc(-c2c[nH]c(C3CC[NH+](Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)n2)cc1 ZINC000040380681 563137661 /nfs/dbraw/zinc/13/76/61/563137661.db2.gz QUNKIBBCFRVCCE-UHFFFAOYSA-N 1 0 468.498 6.405 1 0 JKAFRO Cc1noc(C)c1-c1ccc(N2CCc3c2[nH+]ccc3-n2ccc(-c3nccs3)n2)c(C)c1 ZINC000040391251 563137763 /nfs/dbraw/zinc/13/77/63/563137763.db2.gz GWQZJLMAYGIWEE-UHFFFAOYSA-N 1 0 454.559 5.665 1 0 JKAFRO COC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040394339 563138709 /nfs/dbraw/zinc/13/87/09/563138709.db2.gz ZCNMZJMGPQGLKK-OIFTYBNWSA-N 1 0 452.425 7.252 1 0 JKAFRO Cc1ccc(N(C(=O)NCCC[NH+]2CCC3(CCc4ccccc43)CC2)c2cccc(F)c2)cc1 ZINC000040395166 563139010 /nfs/dbraw/zinc/13/90/10/563139010.db2.gz PYGPEGZKDLTLHJ-UHFFFAOYSA-N 1 0 471.620 6.352 1 0 JKAFRO CCc1ccccc1C(=O)N([C@H](Cc1ccc(Cl)cc1)C[NH+](C)C)C1CCC2(CC1)OCCO2 ZINC000040395615 563139284 /nfs/dbraw/zinc/13/92/84/563139284.db2.gz DJERTHKDACYGDN-RUZDIDTESA-N 1 0 485.068 5.203 1 0 JKAFRO NC(=O)C1(c2ccc(F)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040395697 563139292 /nfs/dbraw/zinc/13/92/92/563139292.db2.gz XOZUPJZIFKSWPZ-NNJHRLFQSA-N 1 0 483.414 6.272 1 0 JKAFRO CNC(=O)c1cc(Oc2ccc3c(c2)[nH+]c(Nc2ccc(Cl)c(C(F)(F)F)c2)n3C)ccn1 ZINC000040402073 563139549 /nfs/dbraw/zinc/13/95/49/563139549.db2.gz MCKKYADDOIQSEO-UHFFFAOYSA-N 1 0 475.858 5.536 1 0 JKAFRO CC(C)(C)c1ccc(-c2nc3c(cccc3N3CC[NH+](Cc4ccc5cccnc5c4)CC3)[nH]2)cc1 ZINC000040404118 563139765 /nfs/dbraw/zinc/13/97/65/563139765.db2.gz PMJQOTOFZRASBJ-UHFFFAOYSA-N 1 0 475.640 6.398 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc1)CC2 ZINC000040405981 563140004 /nfs/dbraw/zinc/14/00/04/563140004.db2.gz HPERWTYTDIGYGD-KPKJPENVSA-N 1 0 477.004 5.610 1 0 JKAFRO CCc1c2ccc(OC)c(OCc3cccc(Cl)c3)c2c[n+]2c1-c1cc(OC)c(OC)cc1CC2 ZINC000040413440 563141104 /nfs/dbraw/zinc/14/11/04/563141104.db2.gz DDAKYSLJVLOFPK-UHFFFAOYSA-N 1 0 491.007 6.171 1 0 JKAFRO O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000040413985 563141248 /nfs/dbraw/zinc/14/12/48/563141248.db2.gz NAVYJZRKEMFFDR-UHFFFAOYSA-N 1 0 492.623 5.269 1 0 JKAFRO CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCC[NH+]1CCCC1 ZINC000040422824 563141969 /nfs/dbraw/zinc/14/19/69/563141969.db2.gz GDFGAZNVFAOQJA-JOCHJYFZSA-N 1 0 482.637 6.261 1 0 JKAFRO Cc1cc(NC(=O)c2ccc3c(c2)CC[N@H+](C(C)C)C3)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040423309 563142332 /nfs/dbraw/zinc/14/23/32/563142332.db2.gz HSVKJECORUHQMG-UHFFFAOYSA-N 1 0 495.067 5.947 1 0 JKAFRO Cc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040423442 563142369 /nfs/dbraw/zinc/14/23/69/563142369.db2.gz LUFGUMHRRIOLNQ-UHFFFAOYSA-N 1 0 495.067 6.166 1 0 JKAFRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2cc(F)ccc2c1)c1ccccc1-c1ccccc1 ZINC000040423972 563142632 /nfs/dbraw/zinc/14/26/32/563142632.db2.gz DBWKEBCQXCVXLS-KPINYLBXSA-N 1 0 464.584 6.571 1 0 JKAFRO CCC[C@@H](C)C[NH+]1CCC(c2ccn3c(c2)nc(-c2ccc(F)cc2)c3-c2ccnc(N)n2)CC1 ZINC000040424189 563142749 /nfs/dbraw/zinc/14/27/49/563142749.db2.gz ZDHQEFNXUHINSC-LJQANCHMSA-N 1 0 472.612 5.795 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000040429831 563143467 /nfs/dbraw/zinc/14/34/67/563143467.db2.gz AWFVUZFXTNVVQX-RDAFOJIHSA-N 1 0 494.520 5.550 1 0 JKAFRO COc1cccc([C@H]2C[C@@H]([NH2+][C@H](C)c3ccc(F)cc3)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 ZINC000040429870 563143479 /nfs/dbraw/zinc/14/34/79/563143479.db2.gz SIWIKTZZRONYRJ-GRFCFPJTSA-N 1 0 472.482 6.051 1 0 JKAFRO Cc1cc(NC(=O)c2ccc([C@@H](C)[NH2+]CC(C)C)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040430623 563143642 /nfs/dbraw/zinc/14/36/42/563143642.db2.gz AWAHRORRMHQSMM-OAQYLSRUSA-N 1 0 497.083 6.487 1 0 JKAFRO c1ccc(CCc2cc(NCc3cccc4ccccc43)nc(NCc3cccc4ccccc43)[nH+]2)cc1 ZINC000040430742 563143665 /nfs/dbraw/zinc/14/36/65/563143665.db2.gz ZGHGMEFVECKKSK-UHFFFAOYSA-N 1 0 494.642 7.792 1 0 JKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2ncccc2c1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040465136 563144106 /nfs/dbraw/zinc/14/41/06/563144106.db2.gz XZFPPERVBQTZCD-ZDUSSCGKSA-N 1 0 487.444 6.613 1 0 JKAFRO C[NH+](C)C[C@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1ccc(Cl)cc1 ZINC000040466880 563144303 /nfs/dbraw/zinc/14/43/03/563144303.db2.gz ZZAVYOKAKZMNHB-QFIPXVFZSA-N 1 0 476.411 5.619 1 0 JKAFRO CC(C)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040505056 563144790 /nfs/dbraw/zinc/14/47/90/563144790.db2.gz RZXGHGDGAJWVMH-UHFFFAOYSA-N 1 0 479.611 6.505 1 0 JKAFRO COc1cccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000040504027 563144813 /nfs/dbraw/zinc/14/48/13/563144813.db2.gz AJZSCUCUXGPZGC-UHFFFAOYSA-N 1 0 467.556 5.390 1 0 JKAFRO Oc1ccccc1OCCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040504486 563144828 /nfs/dbraw/zinc/14/48/28/563144828.db2.gz VIZVALZIDNEELJ-UHFFFAOYSA-N 1 0 453.529 5.087 1 0 JKAFRO COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000040565325 563145484 /nfs/dbraw/zinc/14/54/84/563145484.db2.gz KGKKCFGQNUZEKE-UHFFFAOYSA-N 1 0 475.416 5.543 1 0 JKAFRO CCCCCC(=O)NCc1ccc(O)c(-c2cccc(-c3cc4cc(C(=[NH2+])NO)ccc4[nH]3)c2O)c1 ZINC000040565923 563145675 /nfs/dbraw/zinc/14/56/75/563145675.db2.gz BYIQNOBZJHTGOM-UHFFFAOYSA-N 1 0 486.572 5.414 1 0 JKAFRO COc1cc(NC(=O)c2cccc(Cc3ccccc3)c2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040567448 563146115 /nfs/dbraw/zinc/14/61/15/563146115.db2.gz DQJBTIUFOSZAFF-UHFFFAOYSA-N 1 0 460.618 6.036 1 0 JKAFRO COC(=O)CCCCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040568170 563146203 /nfs/dbraw/zinc/14/62/03/563146203.db2.gz KRYUFCNBZSXGMR-LZHHRLKSSA-N 1 0 459.715 5.885 1 0 JKAFRO COC(=O)CC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040575721 563146404 /nfs/dbraw/zinc/14/64/04/563146404.db2.gz ZKBSJINIPJJEOF-MFWSTDTOSA-N 1 0 459.671 5.286 1 0 JKAFRO O=C(/C=C/c1ccccc1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040592114 563146873 /nfs/dbraw/zinc/14/68/73/563146873.db2.gz WASNBIZAEJVKCE-VOJOMYOPSA-N 1 0 491.675 7.218 1 0 JKAFRO C[C@@]1(CCCCc2ccccc2)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H](O5)C1=O ZINC000040619743 563146975 /nfs/dbraw/zinc/14/69/75/563146975.db2.gz KDEGYPGSRZCWOK-DEZNVUHASA-N 1 0 471.641 5.440 1 0 JKAFRO C[NH+](C)C[C@@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccc(Cl)cc1)=NC2)c1ccccc1 ZINC000040631822 563147013 /nfs/dbraw/zinc/14/70/13/563147013.db2.gz GWYDEOABFYTUNS-JOCHJYFZSA-N 1 0 476.411 5.619 1 0 JKAFRO OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000040632221 563147118 /nfs/dbraw/zinc/14/71/18/563147118.db2.gz WUDDENHOGSEFMQ-UHFFFAOYSA-N 1 0 455.520 5.521 1 0 JKAFRO O[C@H](CCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040641033 563147320 /nfs/dbraw/zinc/14/73/20/563147320.db2.gz GYJCRHKZXOCKLS-HHHXNRCGSA-N 1 0 451.557 5.427 1 0 JKAFRO COc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040764454 563148367 /nfs/dbraw/zinc/14/83/67/563148367.db2.gz GMVSZKGSMBLEJR-UHFFFAOYSA-N 1 0 462.590 6.237 1 0 JKAFRO COc1cc(OC)cc(C(=O)NC2CC(C)(C)[NH+](Cc3ccc4ccccc4c3)C(C)(C)C2)c1 ZINC000040767207 563148454 /nfs/dbraw/zinc/14/84/54/563148454.db2.gz RAOXMFMKGZYCHJ-UHFFFAOYSA-N 1 0 460.618 5.809 1 0 JKAFRO COc1ccc(N2CC[C@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000040822564 563148754 /nfs/dbraw/zinc/14/87/54/563148754.db2.gz GHDIPGSUJPFGKQ-HXUWFJFHSA-N 1 0 477.432 5.633 1 0 JKAFRO COc1ccc2c3c1O[C@@H]1C(=O)[C@](C)(CCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000040812785 563148762 /nfs/dbraw/zinc/14/87/62/563148762.db2.gz KDKYEDQMYUUZMK-MZYFYRIISA-N 1 0 471.641 5.353 1 0 JKAFRO COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC[N@H+](C)Cc1ccccc1 ZINC000040822558 563148777 /nfs/dbraw/zinc/14/87/77/563148777.db2.gz PABKXBWIZMLLJW-UHFFFAOYSA-N 1 0 466.581 6.125 1 0 JKAFRO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CC[NH+](C)C)CC4)cc2)CC3)cc1 ZINC000040847826 563149466 /nfs/dbraw/zinc/14/94/66/563149466.db2.gz HBEHXFVHDULLLX-UHFFFAOYSA-N 1 0 498.549 5.086 1 0 JKAFRO COc1cccc(CCc2ccccc2OCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000040861397 563150071 /nfs/dbraw/zinc/15/00/71/563150071.db2.gz PDJGHIHQAXZDDF-UHFFFAOYSA-N 1 0 465.037 5.725 1 0 in-vitro JKAFRO CC(C)[C@H]1C[C@@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC[N@@H+]1CCc1ccccc1 ZINC000040861561 563150175 /nfs/dbraw/zinc/15/01/75/563150175.db2.gz QXTGXPWXAUTIOI-WUFINQPMSA-N 1 0 482.495 7.831 1 0 JKAFRO CCN(C(=O)Oc1ccc(F)cc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040863472 563150628 /nfs/dbraw/zinc/15/06/28/563150628.db2.gz ZEONQRRAUWWTEG-ZBLYBZFDSA-N 1 0 495.639 5.547 1 0 JKAFRO Cc1ccnc(C)c1C(=O)N1CCC(N2C[C@H]3CC[C@@H](C2)[N@H+]3C(c2ccccc2)c2ccccc2)CC1 ZINC000040864227 563150741 /nfs/dbraw/zinc/15/07/41/563150741.db2.gz WRSUHJNBESROTA-ISILISOKSA-N 1 0 494.683 5.241 1 0 JKAFRO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C[NH2+]C(C)C)CC4)cc2)CC3)cc1 ZINC000040865714 563151044 /nfs/dbraw/zinc/15/10/44/563151044.db2.gz KQUWVLACXDJRHJ-UHFFFAOYSA-N 1 0 498.549 5.132 1 0 JKAFRO C[C@@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)Cc3cccc(Cl)c3)cc2)C[C@H](C)[NH2+]1 ZINC000040876072 563152349 /nfs/dbraw/zinc/15/23/49/563152349.db2.gz MAAFRGFJCFJJAS-SZPZYZBQSA-N 1 0 476.064 5.390 1 0 JKAFRO CCN(CCc1ccccc1)C(=O)c1ccccc1-c1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000040876881 563152438 /nfs/dbraw/zinc/15/24/38/563152438.db2.gz SWCSHYFRURDRBU-PSWAGMNNSA-N 1 0 455.646 5.241 1 0 JKAFRO CC(C)[NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1 ZINC000040891834 563153175 /nfs/dbraw/zinc/15/31/75/563153175.db2.gz SVEQZZDCYHGRFD-KRWDZBQOSA-N 1 0 497.462 5.393 1 0 JKAFRO CC[NH2+]C[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1 ZINC000040892371 563153280 /nfs/dbraw/zinc/15/32/80/563153280.db2.gz YGTDSYGYZFQKOY-MRXNPFEDSA-N 1 0 483.435 5.005 1 0 JKAFRO C[NH+](C)C[C@@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1)c1ccccc1 ZINC000040894083 563153594 /nfs/dbraw/zinc/15/35/94/563153594.db2.gz ORXJSAVDNFYTHE-GOSISDBHSA-N 1 0 469.408 5.087 1 0 JKAFRO CCOC(=O)C1CC[NH+]([C@@H](c2ccccc2)c2cc3cc(Br)ccc3nc2OC)CC1 ZINC000040894842 563153712 /nfs/dbraw/zinc/15/37/12/563153712.db2.gz DURBQXQTMNMQGT-QHCPKHFHSA-N 1 0 483.406 5.370 1 0 JKAFRO O=C(O[C@@H](CNc1cc(=O)c2ccccc2[nH]1)C[NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000040899466 563154520 /nfs/dbraw/zinc/15/45/20/563154520.db2.gz SAOGAVQSKSNUKX-LJQANCHMSA-N 1 0 496.394 5.262 1 0 JKAFRO Cc1nnc(C(C)C)n1C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCCCC2)c2ccccc2)CC1 ZINC000040913543 563154920 /nfs/dbraw/zinc/15/49/20/563154920.db2.gz QKLFGMIJZHWNQN-RLWLMLJZSA-N 1 0 465.686 5.563 1 0 JKAFRO Cc1nnc(C(C)C)n1C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCCCC2)c2ccccc2)CC1 ZINC000040913541 563154928 /nfs/dbraw/zinc/15/49/28/563154928.db2.gz QKLFGMIJZHWNQN-LVXARBLLSA-N 1 0 465.686 5.563 1 0 JKAFRO C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2F)CC1)CCC1c2ccccc2-c2ccccc21 ZINC000040913857 563155018 /nfs/dbraw/zinc/15/50/18/563155018.db2.gz OHCMMUHWOOWFPN-UHFFFAOYSA-N 1 0 475.583 5.138 1 0 JKAFRO Cc1nnc(C(C)C)n1C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCCC2)c2ccccc2)CC1 ZINC000040915406 563155466 /nfs/dbraw/zinc/15/54/66/563155466.db2.gz LRVJJFXKYYDGHP-CPJSRVTESA-N 1 0 451.659 5.173 1 0 JKAFRO CC(C)NC(=O)c1ccc(F)c2c1C[C@@H]([N@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040943554 563159150 /nfs/dbraw/zinc/15/91/50/563159150.db2.gz VLMQEJQNJJVDFP-OAQYLSRUSA-N 1 0 481.587 5.375 1 0 in-vitro JKAFRO C[N@H+](CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccccc1Br ZINC000040950666 563159499 /nfs/dbraw/zinc/15/94/99/563159499.db2.gz ZNVURIUAFCKBDK-UHFFFAOYSA-N 1 0 465.410 6.987 1 0 JKAFRO CC[NH+](CC)Cc1cc(-c2ccc(Cl)cc2)n(Nc2ccnc3cc(Cl)ccc32)c1C ZINC000040952568 563160009 /nfs/dbraw/zinc/16/00/09/563160009.db2.gz FKGDLPDBLDRPIR-UHFFFAOYSA-N 1 0 453.417 7.036 1 0 JKAFRO Cc1ccc(N(C(=O)NCCC[NH+]2CCC3(CCc4ccccc43)CC2)c2ccc(F)c(F)c2)cc1 ZINC000040953619 563160262 /nfs/dbraw/zinc/16/02/62/563160262.db2.gz DDSVEFMFCAHZEM-UHFFFAOYSA-N 1 0 489.610 6.491 1 0 JKAFRO COc1ccc2[nH+]ccc(N[C@H](c3ccc(CN4CCOCC4)cc3)c3cccc(Cl)c3)c2c1 ZINC000040955361 563160741 /nfs/dbraw/zinc/16/07/41/563160741.db2.gz ALEMYDUCQFOTCW-MUUNZHRXSA-N 1 0 474.004 5.931 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000040957561 563161110 /nfs/dbraw/zinc/16/11/10/563161110.db2.gz SXZRMNRXSVRGOA-SBHAEUEKSA-N 1 0 480.493 5.304 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCCOC2)C1 ZINC000040957565 563161192 /nfs/dbraw/zinc/16/11/92/563161192.db2.gz SXZRMNRXSVRGOA-DYXWJJEUSA-N 1 0 480.493 5.304 1 0 JKAFRO C[C@@H]([NH2+][C@@H]1C[C@H](c2cccc(OCF)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 ZINC000040972617 563161380 /nfs/dbraw/zinc/16/13/80/563161380.db2.gz VIZNNWKKQKFIOX-UOKFIYJESA-N 1 0 472.482 6.209 1 0 JKAFRO CCCN1C(=O)CC[C@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1=O ZINC000040974618 563161720 /nfs/dbraw/zinc/16/17/20/563161720.db2.gz WPTDYRIQRNGYLI-SANMLTNESA-N 1 0 483.450 5.158 1 0 JKAFRO CC(C)[C@@H]1CC[N@H+](CCCOc2ccc(-n3c4ccc(F)cc4nc3-c3ccccn3)cc2)C1 ZINC000040974275 563161740 /nfs/dbraw/zinc/16/17/40/563161740.db2.gz SCAVCNGNYHPFKS-OAQYLSRUSA-N 1 0 458.581 5.973 1 0 JKAFRO CC(=O)N1CCC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000040976897 563162230 /nfs/dbraw/zinc/16/22/30/563162230.db2.gz ZZNJOZRGMRQBSR-RUZDIDTESA-N 1 0 455.440 5.241 1 0 JKAFRO CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)[N@@H+](C)C[C@@]54CC[C@@H]32)C1 ZINC000042851729 563162869 /nfs/dbraw/zinc/16/28/69/563162869.db2.gz YNZJHECUVVZSLB-JDEVNGBYSA-N 1 0 497.768 5.257 1 0 JKAFRO O[C@H](COc1ccc(C(F)(F)F)cc1)C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000043015797 563164488 /nfs/dbraw/zinc/16/44/88/563164488.db2.gz ITPKSFPOKCAQLA-INIZCTEOSA-N 1 0 497.863 5.101 1 0 JKAFRO CC(C)[NH2+]Cc1ccc([C@@H](C)Oc2cc(-c3cnc4ccccn43)sc2C(N)=O)c(Cl)c1 ZINC000043015576 563164541 /nfs/dbraw/zinc/16/45/41/563164541.db2.gz YUSMYIBQBYVARC-OAHLLOKOSA-N 1 0 469.010 5.453 1 0 JKAFRO CC(C)(O)c1ccc2c(c1)NC(=O)c1ccc(Nc3cc[nH+]c(Nc4ccnc(Cl)c4)c3)cc1N2 ZINC000043016813 563164576 /nfs/dbraw/zinc/16/45/76/563164576.db2.gz VMLJITCVAJIZCF-UHFFFAOYSA-N 1 0 486.963 6.154 1 0 JKAFRO CC(C)(C)n1c(C[NH2+]C2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043017118 563164662 /nfs/dbraw/zinc/16/46/62/563164662.db2.gz QPMQVZBFSSEPMX-UHFFFAOYSA-N 1 0 476.879 7.965 1 0 JKAFRO FCC(CF)n1c(C[NH2+]C2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043020844 563164945 /nfs/dbraw/zinc/16/49/45/563164945.db2.gz BTXIRBDWKHJOBL-UHFFFAOYSA-N 1 0 498.832 7.690 1 0 JKAFRO CC(C)NC(=[NH2+])c1ccc2oc(-c3cccc(OCCCCCCOc4ccccc4)c3)cc2c1 ZINC000043022112 563165096 /nfs/dbraw/zinc/16/50/96/563165096.db2.gz FPMABUPPEFANTJ-UHFFFAOYSA-N 1 0 470.613 7.441 1 0 JKAFRO C[C@@H](NC(=O)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)C1CCCCC1 ZINC000043067831 563166145 /nfs/dbraw/zinc/16/61/45/563166145.db2.gz QUZHLTJLNYIHQV-OAQYLSRUSA-N 1 0 462.634 5.569 1 0 JKAFRO O=C(Cc1ccccc1-c1ccccc1)N1CCC[N@@H+](Cc2ccc3cc(F)ccc3c2)CC1 ZINC000043079693 563166969 /nfs/dbraw/zinc/16/69/69/563166969.db2.gz RMESOJGVBRJQCE-UHFFFAOYSA-N 1 0 452.573 5.923 1 0 JKAFRO Cc1nc(N(C)C)cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)[nH+]1 ZINC000043120483 563167470 /nfs/dbraw/zinc/16/74/70/563167470.db2.gz QGKKHCKOVYCYQP-YCRPNKLZSA-N 1 0 473.846 6.094 1 0 JKAFRO Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nc(C[NH2+]C3CCCC3)n2C2CCCC2)cc1 ZINC000043122551 563167698 /nfs/dbraw/zinc/16/76/98/563167698.db2.gz RIOWPNZSYSOQRY-UHFFFAOYSA-N 1 0 488.890 8.325 1 0 JKAFRO C[N@@H+]1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccc(Cl)cc21 ZINC000043151868 563167944 /nfs/dbraw/zinc/16/79/44/563167944.db2.gz FLMPFQAMYYSHQA-NRFANRHFSA-N 1 0 464.009 5.051 1 0 JKAFRO C[C@@H]1CN(Cc2ccc(-c3cccnc3N3CCC(Nc4ccc(F)cc4)CC3)s2)C[C@H](C)[NH2+]1 ZINC000043153734 563168026 /nfs/dbraw/zinc/16/80/26/563168026.db2.gz PXHGUNWOKOBEKV-BGYRXZFFSA-N 1 0 479.669 5.212 1 0 JKAFRO CCC(CC)C[NH2+]CCCC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000043203579 563168605 /nfs/dbraw/zinc/16/86/05/563168605.db2.gz ANCJMIQXNPUQAE-MHZLTWQESA-N 1 0 456.074 5.380 1 0 JKAFRO CCC(CC)C[NH2+]CCCC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000043203580 563168666 /nfs/dbraw/zinc/16/86/66/563168666.db2.gz ANCJMIQXNPUQAE-HHHXNRCGSA-N 1 0 456.074 5.380 1 0 JKAFRO CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)[NH3+] ZINC000043574699 563170562 /nfs/dbraw/zinc/17/05/62/563170562.db2.gz BEHSDGVRLDTBER-ZYPWQSMUSA-N 1 0 469.754 7.287 1 0 JKAFRO CCc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045167068 563172894 /nfs/dbraw/zinc/17/28/94/563172894.db2.gz NUQLPSRKPJYMHU-HXUWFJFHSA-N 1 0 472.576 6.248 1 0 JKAFRO Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]Cc5ccc(S(C)(=O)=O)cc5)c4)s3)nc21 ZINC000045167137 563173028 /nfs/dbraw/zinc/17/30/28/563173028.db2.gz XJOAXBHXADEWHO-UHFFFAOYSA-N 1 0 487.650 5.960 1 0 JKAFRO [NH3+]C[C@H]1CCCN1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167398 563173205 /nfs/dbraw/zinc/17/32/05/563173205.db2.gz SBVSTKHXWFTWKG-JOCHJYFZSA-N 1 0 450.508 5.839 1 0 JKAFRO [NH3+]C[C@H]1CCCN1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045167724 563173287 /nfs/dbraw/zinc/17/32/87/563173287.db2.gz USPVXTRSGSCQBM-GOSISDBHSA-N 1 0 456.537 5.900 1 0 JKAFRO CN(CC[NH+](C)C)Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Cl)cc2F)o1 ZINC000045167558 563173320 /nfs/dbraw/zinc/17/33/20/563173320.db2.gz KCIIFMFCRCWWJN-UHFFFAOYSA-N 1 0 452.961 6.024 1 0 JKAFRO Nc1c(Cl)cc([C@H](O)C[NH2+]CCCCCOCCCc2ccc3ncccc3c2)cc1Cl ZINC000045168525 563173819 /nfs/dbraw/zinc/17/38/19/563173819.db2.gz LKNYKZCKXKNTEE-XMMPIXPASA-N 1 0 476.448 5.567 1 0 JKAFRO COC(=O)c1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000045168504 563173828 /nfs/dbraw/zinc/17/38/28/563173828.db2.gz HCEONJOZLUTGSX-MZNJEOGPSA-N 1 0 473.491 5.539 1 0 JKAFRO CCC[C@H](CNc1cc(=O)c2ccccc2[nH]1)C[NH2+]Cc1cccc(OC(F)(F)C(F)F)c1 ZINC000045169189 563174064 /nfs/dbraw/zinc/17/40/64/563174064.db2.gz KKLAZLRYQPDOPE-KRWDZBQOSA-N 1 0 465.491 5.383 1 0 JKAFRO Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCN(C[C@@H]6CCC[N@@H+](C)C6)CC5)c4)s3)nc21 ZINC000045186601 563174152 /nfs/dbraw/zinc/17/41/52/563174152.db2.gz BRKFDEVWXJLLMM-XMMPIXPASA-N 1 0 499.728 5.726 1 0 JKAFRO Cc1cccc2[nH]c(-c3ccc(-c4cccc(CN5CCN(C[C@H]6CCC[N@@H+](C)C6)CC5)c4)s3)nc21 ZINC000045186605 563174180 /nfs/dbraw/zinc/17/41/80/563174180.db2.gz BRKFDEVWXJLLMM-DEOSSOPVSA-N 1 0 499.728 5.726 1 0 JKAFRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4cccc(OC(C)C)c4)s3)CC2)cc1 ZINC000045187400 563174478 /nfs/dbraw/zinc/17/44/78/563174478.db2.gz RIOQMBGCUHRPCJ-UHFFFAOYSA-N 1 0 491.657 5.555 1 0 JKAFRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCCCC[C@]23CCCc4cccc(c42)NC3=O)CC1 ZINC000045187658 563174535 /nfs/dbraw/zinc/17/45/35/563174535.db2.gz HHBVNDNKMRVJOE-PMERELPUSA-N 1 0 453.630 6.352 1 0 JKAFRO C[C@@H]1CN(c2ccc3occ(C(=O)Nc4ccc(-c5ccncc5)c(Cl)c4)c3c2)C[C@@H](C)[NH+]1C ZINC000045187765 563174552 /nfs/dbraw/zinc/17/45/52/563174552.db2.gz ASTBAAJNISQQSR-QZTJIDSGSA-N 1 0 474.992 5.929 1 0 JKAFRO C[C@@H](Cc1ccc(SCCSc2ccccc2)cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000045188738 563174945 /nfs/dbraw/zinc/17/49/45/563174945.db2.gz LQGDEIMFECMAKH-UQBPGWFLSA-N 1 0 458.092 6.479 1 0 JKAFRO C[C@H](Cc1ccc(SCCSc2ccccc2)cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000045188741 563174947 /nfs/dbraw/zinc/17/49/47/563174947.db2.gz LQGDEIMFECMAKH-KBMIEXCESA-N 1 0 458.092 6.479 1 0 JKAFRO C[C@H](Cc1ccc(SCCSc2ccccc2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000045188735 563174958 /nfs/dbraw/zinc/17/49/58/563174958.db2.gz LQGDEIMFECMAKH-CLOONOSVSA-N 1 0 458.092 6.479 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000045189067 563175059 /nfs/dbraw/zinc/17/50/59/563175059.db2.gz OJNIISMSNCIXCB-OMKLEDIQSA-N 1 0 488.459 5.644 1 0 JKAFRO COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CCC2)CC1 ZINC000045188866 563175074 /nfs/dbraw/zinc/17/50/74/563175074.db2.gz GPRJURLPMBOELP-LJAQVGFWSA-N 1 0 475.652 5.375 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2cccnc2)cc1)[C@H]1CCc2c(O)cccc2C1 ZINC000045189191 563175155 /nfs/dbraw/zinc/17/51/55/563175155.db2.gz CHTBFOOGLPVTCI-SANMLTNESA-N 1 0 457.618 5.234 1 0 JKAFRO COC(=O)c1cccc(C[NH2+]Cc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045189880 563175422 /nfs/dbraw/zinc/17/54/22/563175422.db2.gz KLBNKXYQYFODJR-UHFFFAOYSA-N 1 0 453.567 6.035 1 0 JKAFRO COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2Cl)ccc1OCC[NH+]1CCCC1 ZINC000045190087 563175436 /nfs/dbraw/zinc/17/54/36/563175436.db2.gz GHADTMCLHZOSSI-UHFFFAOYSA-N 1 0 491.440 6.457 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000045192040 563176039 /nfs/dbraw/zinc/17/60/39/563176039.db2.gz CNOFVYJCHNCYGG-QGFLDLQWSA-N 1 0 488.459 5.644 1 0 JKAFRO CCOc1ccc(-c2cc3nc(C4CC[NH2+]CC4)c(C(=O)Nc4ccc(C)cc4Cl)cn3n2)cc1 ZINC000045191977 563176062 /nfs/dbraw/zinc/17/60/62/563176062.db2.gz XAMQLZIRVOOENF-UHFFFAOYSA-N 1 0 490.007 5.476 1 0 JKAFRO Fc1ccc2[nH]c(-c3cccc(-c4ccc(C[NH+]5CCN(c6cnccn6)CC5)cc4)c3)nc2c1 ZINC000045192199 563176110 /nfs/dbraw/zinc/17/61/10/563176110.db2.gz SQPIDJWXTJSHIG-UHFFFAOYSA-N 1 0 464.548 5.148 1 0 JKAFRO COc1cc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)s2)ccc1OCC[NH+]1CCCC1 ZINC000045192256 563176188 /nfs/dbraw/zinc/17/61/88/563176188.db2.gz PFZFDKPJSUQVHJ-UHFFFAOYSA-N 1 0 464.587 5.353 1 0 JKAFRO O=C(c1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1)N1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000045193005 563176531 /nfs/dbraw/zinc/17/65/31/563176531.db2.gz OIVXNPONLVMQKN-UIOOFZCWSA-N 1 0 498.602 5.097 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]C[C@@H]5CCCO5)c4)s3)nc2c1 ZINC000045193875 563176862 /nfs/dbraw/zinc/17/68/62/563176862.db2.gz KVUBEFAGPDVKNN-SFHVURJKSA-N 1 0 457.521 6.246 1 0 JKAFRO O=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(Br)cc1 ZINC000045194045 563176905 /nfs/dbraw/zinc/17/69/05/563176905.db2.gz NNTFALWLWHXONS-UHFFFAOYSA-N 1 0 483.454 6.102 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]C[C@H]5CCCO5)c4)s3)nc2c1 ZINC000045193878 563176925 /nfs/dbraw/zinc/17/69/25/563176925.db2.gz KVUBEFAGPDVKNN-GOSISDBHSA-N 1 0 457.521 6.246 1 0 JKAFRO [NH3+]C[C@@H]1CCCN1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045194225 563177038 /nfs/dbraw/zinc/17/70/38/563177038.db2.gz RZTGJOWDCYUBSS-QFIPXVFZSA-N 1 0 450.508 5.839 1 0 JKAFRO CC(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4cccc(Cl)c4)s3)CC2)cc1 ZINC000045194427 563177086 /nfs/dbraw/zinc/17/70/86/563177086.db2.gz VBOWKWNIDHDAPO-UHFFFAOYSA-N 1 0 453.051 6.586 1 0 JKAFRO C[NH+](C)Cc1cccc(-c2ccc(NC(=O)c3ccc4c(c3)ncn(Cc3ccoc3)c4=O)cc2)c1 ZINC000045194575 563177191 /nfs/dbraw/zinc/17/71/91/563177191.db2.gz REVDWLOOGXCZMC-UHFFFAOYSA-N 1 0 478.552 5.019 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]C[C@@H]5CCCO5)c4)cc3)nc2c1 ZINC000045195101 563177258 /nfs/dbraw/zinc/17/72/58/563177258.db2.gz DBEANPBPBRHOLO-QFIPXVFZSA-N 1 0 451.492 6.184 1 0 JKAFRO C[NH+](C)CCCn1cncc1-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000045194995 563177273 /nfs/dbraw/zinc/17/72/73/563177273.db2.gz JZIFBNNTOBNLDZ-UHFFFAOYSA-N 1 0 478.600 5.768 1 0 JKAFRO CC(C)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4cccc(Cl)c4)CC3)cc2)cc1 ZINC000045194971 563177282 /nfs/dbraw/zinc/17/72/82/563177282.db2.gz VBAXRYNZCDLTET-UHFFFAOYSA-N 1 0 476.064 6.424 1 0 JKAFRO C[C@H](Cc1ccc(OCCCCCCOc2ccccc2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000045195076 563177301 /nfs/dbraw/zinc/17/73/01/563177301.db2.gz YMGXRACKKCQXQZ-BTYSJIOQSA-N 1 0 482.064 6.612 1 0 JKAFRO COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1CN1CCC[N@H+](C)CC1 ZINC000045196203 563177814 /nfs/dbraw/zinc/17/78/14/563177814.db2.gz XFOXTMHVOYDYJE-UHFFFAOYSA-N 1 0 464.009 5.405 1 0 JKAFRO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(-c4ccccc4Cl)cs3)C2)cc1 ZINC000045196358 563177970 /nfs/dbraw/zinc/17/79/70/563177970.db2.gz ZRXAEZDCFXNERP-HSZRJFAPSA-N 1 0 467.078 6.976 1 0 JKAFRO Fc1ccc(Nc2ccnc3cc(-c4ccc(C[NH2+]CCN5CCOCC5)o4)ccc32)c(Cl)c1 ZINC000045201342 563178113 /nfs/dbraw/zinc/17/81/13/563178113.db2.gz NCTBNAAGEFFQBV-UHFFFAOYSA-N 1 0 480.971 5.453 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[NH+]1CCC(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000045201260 563178118 /nfs/dbraw/zinc/17/81/18/563178118.db2.gz KVMSFBVCWRDRLS-FMIVXFBMSA-N 1 0 488.459 5.644 1 0 JKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3ccc4c(c3)OC(F)(F)O4)CC2)CC1 ZINC000045201448 563178141 /nfs/dbraw/zinc/17/81/41/563178141.db2.gz BHKISSOZRUGSOK-NTUHNPAUSA-N 1 0 498.570 5.337 1 0 JKAFRO O=C(NC[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)c1cc(-c2cccc(Cl)c2)cs1 ZINC000045201511 563178150 /nfs/dbraw/zinc/17/81/50/563178150.db2.gz JYTLXXHUGLVRAI-KRWDZBQOSA-N 1 0 478.967 6.339 1 0 JKAFRO O=C(Nc1ccccc1)N1CCO[C@@](CC[NH+]2CCC(F)(F)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000045201501 563178245 /nfs/dbraw/zinc/17/82/45/563178245.db2.gz KWBYAAUQHIGGSX-HSZRJFAPSA-N 1 0 498.401 5.874 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3ccc4c(c3)-c3nocc3[C@H](C)O4)CC2)CC1 ZINC000045201762 563178387 /nfs/dbraw/zinc/17/83/87/563178387.db2.gz MQSFGRICGJTZAO-XOYNAWAESA-N 1 0 485.628 6.024 1 0 JKAFRO Cc1ccc(/C=C/C(=O)NC2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc1C ZINC000045201879 563178472 /nfs/dbraw/zinc/17/84/72/563178472.db2.gz LBQGWWHPYKLFNM-SDNWHVSQSA-N 1 0 469.673 6.353 1 0 JKAFRO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]Cc3cc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000045202072 563178609 /nfs/dbraw/zinc/17/86/09/563178609.db2.gz UFPZDYBBOAWSNG-UHFFFAOYSA-N 1 0 451.014 5.252 1 0 JKAFRO COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1C[NH+]1CCC(O)CC1 ZINC000045202933 563179056 /nfs/dbraw/zinc/17/90/56/563179056.db2.gz QNUMASYYDODSHR-UHFFFAOYSA-N 1 0 450.966 5.225 1 0 JKAFRO COc1c(Br)cc(Br)cc1-c1ccc(C[NH+]2C3CCCC2CCC3)[nH]1 ZINC000045209826 563179238 /nfs/dbraw/zinc/17/92/38/563179238.db2.gz MFNCFYXTKVRIJS-UHFFFAOYSA-N 1 0 468.233 6.122 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cc(F)ccc3C(F)(F)F)CC2)CC1 ZINC000045210045 563179254 /nfs/dbraw/zinc/17/92/54/563179254.db2.gz VTNJKPVTIAFLGB-AWNIVKPZSA-N 1 0 488.569 6.473 1 0 JKAFRO c1cncc(Oc2ccc(Nc3ccnc4cc(-c5cccc(CN6CCOCC6)c5)ccc43)cc2)c1 ZINC000045210548 563179394 /nfs/dbraw/zinc/17/93/94/563179394.db2.gz UIWCQZZAONISLI-UHFFFAOYSA-N 1 0 488.591 6.665 1 0 JKAFRO Cc1ccc(NS(=O)(=O)c2ccc([C@H](C)N3CCC([NH+]4CCCCC4)CC3)cc2)cc1C ZINC000045210754 563179454 /nfs/dbraw/zinc/17/94/54/563179454.db2.gz UEKSMIATYWACFP-QFIPXVFZSA-N 1 0 455.668 5.116 1 0 JKAFRO Cc1ccccc1C[N@@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000045226963 563179877 /nfs/dbraw/zinc/17/98/77/563179877.db2.gz FFVPHGFLTAIHAS-UHFFFAOYSA-N 1 0 469.673 6.253 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccc(C[NH2+]CCc5ccncc5)cc4)c3)nc2c1 ZINC000045227229 563179921 /nfs/dbraw/zinc/17/99/21/563179921.db2.gz GLMIFIYQUQUSSD-UHFFFAOYSA-N 1 0 472.514 6.643 1 0 JKAFRO CC(C)(C)c1ccc2[nH]c(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)s3)nc2c1 ZINC000045226917 563179931 /nfs/dbraw/zinc/17/99/31/563179931.db2.gz YFICPISYEFTYSQ-UHFFFAOYSA-N 1 0 472.658 5.983 1 0 JKAFRO O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045227582 563180034 /nfs/dbraw/zinc/18/00/34/563180034.db2.gz QJUURZMUQZPDCO-KRWDZBQOSA-N 1 0 462.512 5.825 1 0 JKAFRO CC(C)c1ccc(NC(=O)c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000045227511 563180044 /nfs/dbraw/zinc/18/00/44/563180044.db2.gz YXJBAOUETPXTSL-UHFFFAOYSA-N 1 0 455.602 5.457 1 0 JKAFRO O=c1cc(NCCC[NH2+]Cc2[nH]c3cc(Cl)cc(Cl)c3c2Cn2cccn2)[nH]c2ccccc12 ZINC000045227616 563180142 /nfs/dbraw/zinc/18/01/42/563180142.db2.gz ZLIMIAHECSRQOX-UHFFFAOYSA-N 1 0 495.414 5.153 1 0 JKAFRO COc1ccccc1-c1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)s1 ZINC000045227674 563180187 /nfs/dbraw/zinc/18/01/87/563180187.db2.gz KZHPUIHITAIBMM-LJQANCHMSA-N 1 0 488.575 6.085 1 0 JKAFRO O=C(Nc1ccc2c(ccn2[C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3F)CC2)c1)c1ccco1 ZINC000045228378 563180419 /nfs/dbraw/zinc/18/04/19/563180419.db2.gz WESPUJRLPZQXFG-NRFANRHFSA-N 1 0 467.491 6.131 1 0 JKAFRO CN(C)c1ccc(-c2csc(C(=O)N[C@@H]3CCCC[N@H+](Cc4ccc(C(C)(C)C)cc4)C3)c2)cc1 ZINC000045229129 563180645 /nfs/dbraw/zinc/18/06/45/563180645.db2.gz OBXFBZUWDMRQKX-AREMUKBSSA-N 1 0 489.729 6.563 1 0 JKAFRO C[C@H]1C[C@H]([NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c2c1cc(Cl)c(Cl)c2Cl ZINC000045229453 563180812 /nfs/dbraw/zinc/18/08/12/563180812.db2.gz QPDFIYBQMXBUFK-SJCJKPOMSA-N 1 0 450.797 6.128 1 0 JKAFRO COc1cccc(C[NH2+]CC(C)(C)c2nc(-c3ccncc3)c(-c3ccc(Cl)c(O)c3)[nH]2)c1 ZINC000045229322 563180836 /nfs/dbraw/zinc/18/08/36/563180836.db2.gz PHEAPHBNDJOYHL-UHFFFAOYSA-N 1 0 462.981 5.574 1 0 JKAFRO COc1ccc(NC(=O)[C@H](Cc2ccccc2)Nc2cc(C)[nH+]c(NCCc3ccccc3)n2)cc1 ZINC000045229480 563180840 /nfs/dbraw/zinc/18/08/40/563180840.db2.gz KVKGNHRIWWFFIH-SANMLTNESA-N 1 0 481.600 5.110 1 0 JKAFRO C[C@H]1C[C@@H]([NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c2c1cc(Cl)c(Cl)c2Cl ZINC000045229459 563180846 /nfs/dbraw/zinc/18/08/46/563180846.db2.gz QPDFIYBQMXBUFK-YVEFUNNKSA-N 1 0 450.797 6.128 1 0 JKAFRO C[NH+]1CCC(C(=O)Nc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)c2)CC1 ZINC000045229645 563180918 /nfs/dbraw/zinc/18/09/18/563180918.db2.gz VDRVUYKQPIWIEQ-UHFFFAOYSA-N 1 0 484.547 6.258 1 0 JKAFRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000045229986 563181038 /nfs/dbraw/zinc/18/10/38/563181038.db2.gz XEDUXCYHEQJVAN-UHFFFAOYSA-N 1 0 493.438 6.240 1 0 JKAFRO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045230606 563181152 /nfs/dbraw/zinc/18/11/52/563181152.db2.gz ORISIPVHXVWGBO-HSZRJFAPSA-N 1 0 450.623 6.462 1 0 JKAFRO COc1cccc(-c2csc(C(=O)N[C@@H]3CCCC[N@H+](Cc4ccc(C(C)(C)C)cc4)C3)c2)c1 ZINC000045231393 563181411 /nfs/dbraw/zinc/18/14/11/563181411.db2.gz BTMGPOBEYRZARH-RUZDIDTESA-N 1 0 476.686 6.506 1 0 JKAFRO CC[NH+](CC)CCCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C ZINC000045253308 563182084 /nfs/dbraw/zinc/18/20/84/563182084.db2.gz JFZAEBICGWMIMH-UHFFFAOYSA-N 1 0 455.990 5.495 1 0 JKAFRO [NH2+]=C1N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCCCN12 ZINC000045257233 563182803 /nfs/dbraw/zinc/18/28/03/563182803.db2.gz UFMYOISPMQWRNH-RUZDIDTESA-N 1 0 497.496 5.243 1 0 JKAFRO OCCCCCCCCCC[C@@H](O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000045283989 563183525 /nfs/dbraw/zinc/18/35/25/563183525.db2.gz HHNCJVQHWLEDNL-HZDWXICMSA-N 1 0 497.764 6.787 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc([C@H](C)O)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045284692 563183712 /nfs/dbraw/zinc/18/37/12/563183712.db2.gz DBFHDFUSJJCBCW-DEOSSOPVSA-N 1 0 485.672 6.025 1 0 JKAFRO [NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2ccccc2)C(=O)N3)c1)Cc1c[nH]c2ccccc12 ZINC000045290596 563184851 /nfs/dbraw/zinc/18/48/51/563184851.db2.gz GMHTYKBOFKTKLP-MUAVYFROSA-N 1 0 474.564 5.263 1 0 JKAFRO COc1cccc2c1CCC[C@H]2CCCN1CC[NH+](CCC[C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000045291148 563184908 /nfs/dbraw/zinc/18/49/08/563184908.db2.gz XBUZAXHMKYCWDI-UIOOFZCWSA-N 1 0 490.732 6.422 1 0 JKAFRO O=C1C[C@@H](C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)Cc2nc(-c3ccccc3)ncc21 ZINC000045291246 563185024 /nfs/dbraw/zinc/18/50/24/563185024.db2.gz LSEUGCSNKVUOIA-KRWDZBQOSA-N 1 0 456.521 5.049 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2ccc(C(N)=O)cc2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045299510 563185390 /nfs/dbraw/zinc/18/53/90/563185390.db2.gz QQYYWTHLPOCWAB-UHFFFAOYSA-N 1 0 484.644 5.070 1 0 JKAFRO c1cc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccn3)cc2)oc1CN1CC[NH2+]CC1 ZINC000045301762 563185862 /nfs/dbraw/zinc/18/58/62/563185862.db2.gz CNVBLLQPXZIKHE-UHFFFAOYSA-N 1 0 477.568 5.831 1 0 JKAFRO COc1ccccc1CCNc1nc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc(C)[nH+]1 ZINC000045301807 563185902 /nfs/dbraw/zinc/18/59/02/563185902.db2.gz BDLDIPMUVCDLOQ-VWLOTQADSA-N 1 0 481.600 5.110 1 0 JKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)c1 ZINC000045302033 563186066 /nfs/dbraw/zinc/18/60/66/563186066.db2.gz NAXXJOVRWOUXGS-UHFFFAOYSA-N 1 0 484.603 7.459 1 0 JKAFRO CSc1cccc(Nc2nc3ccc(S(=O)(=O)NCC(C)C)cc3n2[C@H](C)C(C)C)c1 ZINC000045302204 563186103 /nfs/dbraw/zinc/18/61/03/563186103.db2.gz ZEDAKOUFMXQCBL-QGZVFWFLSA-N 1 0 460.669 5.653 1 0 JKAFRO Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)[C@H](C)C[NH+]5CCN(C)CC5)c4)s3)nc21 ZINC000045302360 563186258 /nfs/dbraw/zinc/18/62/58/563186258.db2.gz VWHHEBWARHLMQO-LJQANCHMSA-N 1 0 473.646 5.089 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Nc2nc(-c3ccccc3)cs2)c1 ZINC000045302478 563186405 /nfs/dbraw/zinc/18/64/05/563186405.db2.gz WRRHIHHLBVGIQP-UHFFFAOYSA-N 1 0 468.626 5.948 1 0 JKAFRO Cc1cccc2[nH]c(-c3cccc(-c4cccc(C[NH2+]Cc5ccc(S(C)(=O)=O)cc5)c4)c3)nc21 ZINC000045302626 563186521 /nfs/dbraw/zinc/18/65/21/563186521.db2.gz RLFYYSCZWRRJMY-UHFFFAOYSA-N 1 0 481.621 5.899 1 0 JKAFRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045302613 563186538 /nfs/dbraw/zinc/18/65/38/563186538.db2.gz KILYUFCKRQXCRA-DEOSSOPVSA-N 1 0 492.545 5.968 1 0 JKAFRO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(C)cc2[nH]1 ZINC000045302869 563186820 /nfs/dbraw/zinc/18/68/20/563186820.db2.gz YZUPUSFSKXNGFX-UHFFFAOYSA-N 1 0 489.019 5.595 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045302918 563186875 /nfs/dbraw/zinc/18/68/75/563186875.db2.gz DKPJRFQOVSDKBG-FQEVSTJZSA-N 1 0 467.078 6.618 1 0 JKAFRO Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(c6cnccn6)CC5)cc4)s3)nc21 ZINC000045303041 563187007 /nfs/dbraw/zinc/18/70/07/563187007.db2.gz CERHSGSSPBOUMI-UHFFFAOYSA-N 1 0 466.614 5.379 1 0 JKAFRO COc1ccc(NC(=O)c2cc3cc(C4(O)CC[NH+](CC(C)(C)C)CC4)ccc3o2)cc1OC ZINC000045303084 563187129 /nfs/dbraw/zinc/18/71/29/563187129.db2.gz VDOIQMCIUDQWGH-UHFFFAOYSA-N 1 0 466.578 5.032 1 0 JKAFRO COc1cccc(-c2csc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccc(C(C)(C)C)cc4)C3)c2)c1 ZINC000045315888 563187441 /nfs/dbraw/zinc/18/74/41/563187441.db2.gz MBXZSQLAKYLOLH-NRFANRHFSA-N 1 0 462.659 5.973 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@H+](Cc3ccccc3)CC2)c1)c1cc2ccccc2s1 ZINC000045318820 563187694 /nfs/dbraw/zinc/18/76/94/563187694.db2.gz OLXSRRQARZVFCJ-UHFFFAOYSA-N 1 0 455.627 5.862 1 0 JKAFRO CC[NH+](CC)CCC[C@@H](C)N(Cc1cccc(OCc2ccccc2)c1)C(=O)NCc1ccccc1 ZINC000045321010 563188082 /nfs/dbraw/zinc/18/80/82/563188082.db2.gz KFTSNLVZZODXRT-AREMUKBSSA-N 1 0 487.688 6.488 1 0 JKAFRO Cc1cc(C)cc(Sc2c(I)c(=O)[nH]c(C)c2C[NH+]2CCCCC2)c1 ZINC000045321231 563188165 /nfs/dbraw/zinc/18/81/65/563188165.db2.gz QYZSKLCNGLYSQD-UHFFFAOYSA-N 1 0 468.404 5.042 1 0 JKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)c1 ZINC000045321778 563188228 /nfs/dbraw/zinc/18/82/28/563188228.db2.gz FMQVUDKKZLABGB-UHFFFAOYSA-N 1 0 490.632 7.520 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1 ZINC000045321521 563188251 /nfs/dbraw/zinc/18/82/51/563188251.db2.gz GVPAKFSECRAWAN-UHFFFAOYSA-N 1 0 497.401 6.070 1 0 JKAFRO FC(F)(F)c1cc2[nH]c(C[NH2+]CCCNc3nc4ccccc4[nH]3)cc2c(C(F)(F)F)c1 ZINC000045321770 563188275 /nfs/dbraw/zinc/18/82/75/563188275.db2.gz KTJMIBFMCDZTEU-UHFFFAOYSA-N 1 0 455.406 5.674 1 0 JKAFRO Cc1cccc(C[N@@H+]2CCCN(Cc3cccc(C(=O)Nc4ccc(C(C)(C)C)cc4)c3)CC2)c1 ZINC000045322081 563188374 /nfs/dbraw/zinc/18/83/74/563188374.db2.gz AROFZZUOFOTYCQ-UHFFFAOYSA-N 1 0 469.673 6.253 1 0 JKAFRO O=C(Nc1ccc2c(c1)CCN2[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)c1ccco1 ZINC000045322708 563188523 /nfs/dbraw/zinc/18/85/23/563188523.db2.gz KXXHETNQPANAOE-NRFANRHFSA-N 1 0 455.480 5.188 1 0 JKAFRO O=C(c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1)N1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000045324162 563188996 /nfs/dbraw/zinc/18/89/96/563188996.db2.gz ONABTWKVVABHNB-VXKWHMMOSA-N 1 0 486.641 5.020 1 0 JKAFRO C[NH+](C)CCNCc1ncsc1-c1ccc2c(c1)nccc2Nc1ccc(F)cc1Cl ZINC000045323933 563189016 /nfs/dbraw/zinc/18/90/16/563189016.db2.gz PIOIEYHZHOWJSG-UHFFFAOYSA-N 1 0 455.990 5.546 1 0 JKAFRO C[NH+]1CCC(C(=O)Nc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)CC1 ZINC000045323818 563189035 /nfs/dbraw/zinc/18/90/35/563189035.db2.gz DLTZFBCCDRGOIL-UHFFFAOYSA-N 1 0 478.518 6.196 1 0 JKAFRO OCC1CC[NH+](Cc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)CC1 ZINC000045324641 563189283 /nfs/dbraw/zinc/18/92/83/563189283.db2.gz LBWZVDSPWJOQQM-UHFFFAOYSA-N 1 0 465.519 6.120 1 0 JKAFRO CC(C)(C)CC(=O)NCc1ccc(OC2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000045324813 563189320 /nfs/dbraw/zinc/18/93/20/563189320.db2.gz CIIWMQDQDXWXKH-UHFFFAOYSA-N 1 0 484.684 6.414 1 0 JKAFRO CCCCCCNC(=O)[C@@H]1Cc2c3ccc(Cl)cc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000045334355 563189379 /nfs/dbraw/zinc/18/93/79/563189379.db2.gz GQKLOORTSAINCZ-SANMLTNESA-N 1 0 493.095 5.523 1 0 JKAFRO CC(=O)c1ccc2c(c1)CC[N@@H+](CCC1CCC(NC(=O)c3cc4ccccc4[nH]3)CC1)CC2 ZINC000045334437 563189467 /nfs/dbraw/zinc/18/94/67/563189467.db2.gz HIWIMIOJKOWZNV-UHFFFAOYSA-N 1 0 457.618 5.150 1 0 JKAFRO O=C1CCCN1CCC[NH2+]Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045334461 563189526 /nfs/dbraw/zinc/18/95/26/563189526.db2.gz NEBBLZFJDALJQW-UHFFFAOYSA-N 1 0 492.545 6.018 1 0 JKAFRO OC1(Cc2ccccc2)CC[NH+](Cc2cccc(-c3c[nH]c4nc(NC5CCCC5)ncc34)c2)CC1 ZINC000045334637 563189569 /nfs/dbraw/zinc/18/95/69/563189569.db2.gz YFKCSQQOCPFJED-UHFFFAOYSA-N 1 0 481.644 5.549 1 0 JKAFRO C[C@H](C[NH+](C)C)C(=O)Nc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045334688 563189616 /nfs/dbraw/zinc/18/96/16/563189616.db2.gz DKHSKMLYRDFISW-MRXNPFEDSA-N 1 0 466.507 6.052 1 0 JKAFRO COc1ccc(CN2CCC[N@H+](Cc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000045334639 563189619 /nfs/dbraw/zinc/18/96/19/563189619.db2.gz RXCHXTIBZGKTCZ-UHFFFAOYSA-N 1 0 464.009 5.309 1 0 JKAFRO Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)[C@@H](C)C[NH+]5CCN(C)CC5)cc4)c3)nc21 ZINC000045334781 563189658 /nfs/dbraw/zinc/18/96/58/563189658.db2.gz KFXXWAWLHVFPPU-NRFANRHFSA-N 1 0 467.617 5.027 1 0 JKAFRO COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(F)(F)F)cc4)cc3c2)cc1CCC[NH+](C)C ZINC000045334965 563189798 /nfs/dbraw/zinc/18/97/98/563189798.db2.gz KLQOQAWCTFUYAV-UHFFFAOYSA-N 1 0 496.529 6.874 1 0 JKAFRO CC(=O)N1CC[NH+](C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000045336683 563190326 /nfs/dbraw/zinc/19/03/26/563190326.db2.gz MFXAMPGHPZUHRQ-UUOWRZLLSA-N 1 0 480.867 5.769 1 0 JKAFRO COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1CN1CCC[N@H+](C)CC1 ZINC000045337053 563190410 /nfs/dbraw/zinc/19/04/10/563190410.db2.gz SMTSWDYSLDGKND-UHFFFAOYSA-N 1 0 464.009 5.405 1 0 JKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ncccc45)cnc3-c3ccoc3)cc12 ZINC000045339934 563191200 /nfs/dbraw/zinc/19/12/00/563191200.db2.gz FJMIJFHXLDAZDQ-FQEVSTJZSA-N 1 0 464.529 5.018 1 0 JKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c(N)nc3-c3ccoc3C)cc12 ZINC000045339868 563191245 /nfs/dbraw/zinc/19/12/45/563191245.db2.gz NNIFDNQGXRCFDV-FQEVSTJZSA-N 1 0 492.583 5.514 1 0 JKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccccc3O)cc12 ZINC000045348607 563191491 /nfs/dbraw/zinc/19/14/91/563191491.db2.gz NXALXNCWSLFUIV-NRFANRHFSA-N 1 0 450.542 5.255 1 0 JKAFRO COc1ccc(NC(=O)OC[C@@H](Oc2cccc3sc(C(N)=[NH2+])cc32)c2ccccc2)cc1 ZINC000045358479 563192764 /nfs/dbraw/zinc/19/27/64/563192764.db2.gz IEKKKOCYKOJJBP-OAQYLSRUSA-N 1 0 461.543 5.563 1 0 JKAFRO C[NH2+]Cc1ccccc1NC(=O)OC[C@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045365762 563192957 /nfs/dbraw/zinc/19/29/57/563192957.db2.gz ANMPAJKPHPHBMW-QFIPXVFZSA-N 1 0 474.586 5.274 1 0 JKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@@H](COC(=O)Nc2ccc(F)cc2F)c2ccccc2)s1 ZINC000045365316 563192970 /nfs/dbraw/zinc/19/29/70/563192970.db2.gz NTUOVTZYWIFOND-FQEVSTJZSA-N 1 0 467.497 5.832 1 0 JKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccc(F)cc45)cnc3-c3ccoc3)cc12 ZINC000045386598 563194594 /nfs/dbraw/zinc/19/45/94/563194594.db2.gz RQDVBCMBFIRGJD-NRFANRHFSA-N 1 0 481.531 5.763 1 0 JKAFRO C[NH+](C)Cc1nc2c(C(F)(F)F)cccn2c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1 ZINC000045389858 563194996 /nfs/dbraw/zinc/19/49/96/563194996.db2.gz XUYDVGGQPPZCPF-UHFFFAOYSA-N 1 0 473.520 5.152 1 0 JKAFRO COc1cc2[nH+]ccc(Nc3ccc(N4C(=O)c5ccc(Cl)cc5C4=O)c(C)c3)c2cc1OC ZINC000045495356 563195547 /nfs/dbraw/zinc/19/55/47/563195547.db2.gz GKYBQAYLLPHLMG-UHFFFAOYSA-N 1 0 473.916 5.758 1 0 JKAFRO COc1cc2nc(N3CCC([NH+]4CCCC4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000045495656 563195638 /nfs/dbraw/zinc/19/56/38/563195638.db2.gz HGXZQFOHAJZQST-UHFFFAOYSA-N 1 0 468.001 5.109 1 0 JKAFRO Clc1ccc(C[n+]2cnn(Cc3ccc(Cn4c5ccccc5c5ccccc54)cc3)c2)c(Cl)c1 ZINC000048999882 563196983 /nfs/dbraw/zinc/19/69/83/563196983.db2.gz PWTFSPAWBGRLFO-UHFFFAOYSA-N 1 0 498.437 6.730 1 0 JKAFRO CC(C)([NH3+])Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000049016129 563197293 /nfs/dbraw/zinc/19/72/93/563197293.db2.gz MYUCGCWNJHYMHV-UHFFFAOYSA-N 1 0 494.661 5.709 1 0 JKAFRO c1ccc(-c2cccc(OCC[NH2+]C[C@H]3COC(c4ccccc4)(c4ccccc4)O3)c2)cc1 ZINC000049015646 563197329 /nfs/dbraw/zinc/19/73/29/563197329.db2.gz YMKDCAYLGKAORC-LJAQVGFWSA-N 1 0 451.566 5.639 1 0 JKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cc(N2CCC([NH+]3CCCCC3)CC2)cc(C(F)(F)F)c1 ZINC000049021311 563197710 /nfs/dbraw/zinc/19/77/10/563197710.db2.gz PUSXXXWMEJEPSR-UHFFFAOYSA-N 1 0 499.499 6.431 1 0 JKAFRO O=C(Nc1cccc(Cl)c1)c1cc(N2CCC([NH+]3CCCCC3)CC2)cc(C(F)(F)F)c1 ZINC000049021308 563197770 /nfs/dbraw/zinc/19/77/70/563197770.db2.gz VHJVRRQOQUGEIG-UHFFFAOYSA-N 1 0 465.947 6.066 1 0 JKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3C[C@@H]4C[C@]4(c4ccccc4)C3)n2C)n1 ZINC000049032697 563198021 /nfs/dbraw/zinc/19/80/21/563198021.db2.gz HMMLWDCQIVJIHP-KDYSTLNUSA-N 1 0 455.631 5.094 1 0 JKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3C[C@@H]4C[C@]4(c4ccc(Cl)cc4)C3)n2C)n1 ZINC000049033060 563198076 /nfs/dbraw/zinc/19/80/76/563198076.db2.gz AAONJNLMLWRZJE-CCLHPLFOSA-N 1 0 490.076 5.748 1 0 JKAFRO c1ccc(C(CCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1 ZINC000049033218 563198151 /nfs/dbraw/zinc/19/81/51/563198151.db2.gz MICPQZJRSOUTGV-UHFFFAOYSA-N 1 0 460.665 7.006 1 0 in-vivo JKAFRO CCCn1c(C)c(C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3C)CC2)cc1-c1ccccc1 ZINC000049032984 563198159 /nfs/dbraw/zinc/19/81/59/563198159.db2.gz UQAWWWMXEVRWIO-UHFFFAOYSA-N 1 0 486.704 5.823 1 0 JKAFRO CN1c2ccc(OC(=O)Nc3ccc(C(C)(C)C)cc3)cc2[C@]2(C)CC[N@@H+](CCc3ccccc3)[C@H]12 ZINC000049033740 563198324 /nfs/dbraw/zinc/19/83/24/563198324.db2.gz XYIWCLMRECCCLF-IZEXYCQBSA-N 1 0 483.656 6.577 1 0 JKAFRO CN1c2ccc(OC(=O)Nc3ccc4ccccc4c3)cc2[C@]2(C)CC[N@@H+](CCc3ccccc3)[C@H]12 ZINC000049035114 563198694 /nfs/dbraw/zinc/19/86/94/563198694.db2.gz DWGMZORKTCDAPU-SMCANUKXSA-N 1 0 477.608 6.433 1 0 JKAFRO COc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](CCc4ccccc4)[C@@H]2N3C)cc1OC ZINC000049036991 563199064 /nfs/dbraw/zinc/19/90/64/563199064.db2.gz CPWQDMQOBNLJKC-YTMVLYRLSA-N 1 0 487.600 5.297 1 0 JKAFRO CCC[N@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000049037689 563199251 /nfs/dbraw/zinc/19/92/51/563199251.db2.gz LOAGYUXIVAJVOV-UHFFFAOYSA-N 1 0 488.985 7.135 1 0 JKAFRO O[C@@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000049049862 563199782 /nfs/dbraw/zinc/19/97/82/563199782.db2.gz GUUVDZUIGHHPED-GRKNLSHJSA-N 1 0 466.625 5.125 1 0 JKAFRO O[C@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000049049849 563199800 /nfs/dbraw/zinc/19/98/00/563199800.db2.gz GUUVDZUIGHHPED-IZEXYCQBSA-N 1 0 466.625 5.125 1 0 JKAFRO CN1CC[C@H]([N@H+](C)CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)C1 ZINC000049050600 563199912 /nfs/dbraw/zinc/19/99/12/563199912.db2.gz NVWYOZRNXOQBHM-FQEVSTJZSA-N 1 0 455.046 5.586 1 0 JKAFRO CCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)cc1-c1ccccc1 ZINC000049052779 563200226 /nfs/dbraw/zinc/20/02/26/563200226.db2.gz CVCPNOHIUOTCKW-UHFFFAOYSA-N 1 0 458.650 5.042 1 0 JKAFRO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)cc(-c2ccccc2)n1CC(C)C ZINC000049054307 563200361 /nfs/dbraw/zinc/20/03/61/563200361.db2.gz NPPZKYSUKSUQHL-UHFFFAOYSA-N 1 0 486.704 5.678 1 0 JKAFRO COc1cccc(N2CC[NH+](C[C@@H](O)CO[C@H](c3ccccc3)c3cccc4ccccc43)CC2)c1 ZINC000049054150 563200398 /nfs/dbraw/zinc/20/03/98/563200398.db2.gz XBKCDFABLBETPL-DLFZDVPBSA-N 1 0 482.624 5.138 1 0 JKAFRO Oc1ccc2c(c1)O[C@@H](c1ccc(OCC[NH+]3CCCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000049054876 563200445 /nfs/dbraw/zinc/20/04/45/563200445.db2.gz OKLGGBGAMNAZTC-LJAQVGFWSA-N 1 0 471.553 5.399 1 0 JKAFRO COc1ccccc1N1CC[NH+](C[C@H](O)CO[C@@H](c2ccccc2)c2cccc3ccccc32)CC1 ZINC000049054463 563200453 /nfs/dbraw/zinc/20/04/53/563200453.db2.gz VNELQZNOOIFCFU-HVNZXBJASA-N 1 0 482.624 5.138 1 0 JKAFRO COc1ccc(CCCCCn2c3ccc(OCCc4ccc(O)cc4)cc3c3c2CC[C@H]([NH3+])C3)cc1 ZINC000049068702 563201009 /nfs/dbraw/zinc/20/10/09/563201009.db2.gz IGTPBMXPVDBCHU-VWLOTQADSA-N 1 0 498.667 6.206 1 0 JKAFRO Cc1cc(N)cc(-c2ccc3[nH]nc(C=Cc4cccc(CN5CC[NH+](C)CC5)c4)c3c2C)c1 ZINC000049071847 563201409 /nfs/dbraw/zinc/20/14/09/563201409.db2.gz FMMQGWSMYANLDD-VQHVLOKHSA-N 1 0 451.618 5.347 1 0 JKAFRO O=C(NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000049071730 563201434 /nfs/dbraw/zinc/20/14/34/563201434.db2.gz KMXFQKSPGKRQKR-UHFFFAOYSA-N 1 0 452.961 5.255 1 0 JKAFRO [NH3+][C@H]1CCc2c(c3cc(OCCc4ccc(O)cc4)ccc3n2CCCCCc2ccccn2)C1 ZINC000049073222 563201541 /nfs/dbraw/zinc/20/15/41/563201541.db2.gz HRJXHKGZTPPKQX-QHCPKHFHSA-N 1 0 469.629 5.592 1 0 JKAFRO Oc1cccc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N[C@H]3C[NH+]4CCC3CC4)cc2)c1 ZINC000049109945 563202182 /nfs/dbraw/zinc/20/21/82/563202182.db2.gz GMJUHMVIMKBELC-SANMLTNESA-N 1 0 488.595 5.337 1 0 JKAFRO COc1cc2cccnc2c(N2CC[NH+](C3CCN(c4cccc5c(C)cc(C)nc54)CC3)CC2)c1 ZINC000049115377 563202820 /nfs/dbraw/zinc/20/28/20/563202820.db2.gz VCZUIKWAOYYMFS-UHFFFAOYSA-N 1 0 481.644 5.199 1 0 JKAFRO Nc1ccccc1NC(=O)c1ccc(C[N@H+](CCO)Cc2ccc(-c3cccs3)cc2)cc1 ZINC000049802582 563204038 /nfs/dbraw/zinc/20/40/38/563204038.db2.gz XCWSZAIIJPYQPI-UHFFFAOYSA-N 1 0 457.599 5.244 1 0 JKAFRO CCN(C(=O)NCc1c(F)cccc1F)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000049802442 563204066 /nfs/dbraw/zinc/20/40/66/563204066.db2.gz PAVCWKDOSVFPAN-UHFFFAOYSA-N 1 0 491.626 6.183 1 0 JKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCC[NH+](C)C)c(OC)cc43)ccc2s1 ZINC000049803041 563204085 /nfs/dbraw/zinc/20/40/85/563204085.db2.gz HPDJGZAZAFDWEZ-UHFFFAOYSA-N 1 0 480.590 5.104 1 0 JKAFRO Nc1ccccc1NC(=O)c1ccc(C[N@H+](CCO)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000049803162 563204103 /nfs/dbraw/zinc/20/41/03/563204103.db2.gz VCUCMWCIDIOBTA-UHFFFAOYSA-N 1 0 451.570 5.183 1 0 JKAFRO CC[NH+](CC)CCN(C(=O)c1ccc(NS(C)(=O)=O)cc1)c1c(C(C)C)cccc1C(C)C ZINC000049916584 563204703 /nfs/dbraw/zinc/20/47/03/563204703.db2.gz FUCALSLKNDFARZ-UHFFFAOYSA-N 1 0 473.683 5.294 1 0 JKAFRO O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCc2cc3nccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000052996436 563204918 /nfs/dbraw/zinc/20/49/18/563204918.db2.gz KWEBCIGEIWBNGJ-QFIPXVFZSA-N 1 0 499.014 5.636 1 0 JKAFRO CC(C)Oc1ccccc1N1CC[NH+](C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000053025955 563204960 /nfs/dbraw/zinc/20/49/60/563204960.db2.gz MHMZJEYRSGRQHH-UHFFFAOYSA-N 1 0 471.045 5.382 1 0 in-vitro JKAFRO CC(C)Oc1ccccc1N1CC[NH+](C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 ZINC000053026007 563204963 /nfs/dbraw/zinc/20/49/63/563204963.db2.gz NXJNUASOAQRPKJ-UHFFFAOYSA-N 1 0 472.580 5.007 1 0 JKAFRO COC(=O)C1(Cc2ccccc2)CC[NH+](CC[C@H](NC(=O)C2CCC2)c2cccc3ccccc32)CC1 ZINC000053226712 563205251 /nfs/dbraw/zinc/20/52/51/563205251.db2.gz VUJNAFHGPRIXFY-LJAQVGFWSA-N 1 0 498.667 5.685 1 0 JKAFRO CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000053294990 563205606 /nfs/dbraw/zinc/20/56/06/563205606.db2.gz KSDKUVJKNHCJCB-UHFFFAOYSA-N 1 0 453.030 5.249 1 0 JKAFRO COc1ccc2c3c1O[C@H]1[C@H]4OC[C@@]4(CCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000058500134 563206692 /nfs/dbraw/zinc/20/66/92/563206692.db2.gz JLJBPQCBCSAYOQ-HTASYEFSSA-N 1 0 485.668 5.553 1 0 JKAFRO CCOc1cc(C[NH+]2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1-c1ccc(C(F)(F)F)cc1 ZINC000058511863 563206841 /nfs/dbraw/zinc/20/68/41/563206841.db2.gz ZYOQAKUMKCVBLE-UHFFFAOYSA-N 1 0 497.561 5.869 1 0 JKAFRO C[NH+]1CCN(c2ccc(Nc3ccnc4ccc(-c5cccc(C(F)(F)F)c5)cc43)cc2)CC1 ZINC000058538355 563207044 /nfs/dbraw/zinc/20/70/44/563207044.db2.gz UZEDLEVQHJATDH-UHFFFAOYSA-N 1 0 462.519 6.416 1 0 JKAFRO CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2([NH2+]CCCc1ccccc1)Cc1c2ccccc2[nH]c1[C@@H]3O5 ZINC000058562522 563207289 /nfs/dbraw/zinc/20/72/89/563207289.db2.gz YTWJWDDYBVMLGJ-SSHYCOHZSA-N 1 0 491.635 5.023 1 0 JKAFRO Clc1cccc(N2CC[NH+](CCCCNc3ccc(-c4ccccc4)cn3)CC2)c1Cl ZINC000058582929 563207900 /nfs/dbraw/zinc/20/79/00/563207900.db2.gz WRUSBTCFXKDYJC-UHFFFAOYSA-N 1 0 455.433 6.070 1 0 JKAFRO COc1ccc(-n2c3ccccc3nc2NCCC[NH+]2CCC(c3cccc(NC(C)=O)c3)CC2)cc1 ZINC000058583594 563207934 /nfs/dbraw/zinc/20/79/34/563207934.db2.gz HBKLTELQROWYAV-UHFFFAOYSA-N 1 0 497.643 5.674 1 0 JKAFRO O=c1cc(-c2ccc(C(F)(F)F)cc2F)ccn1-c1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000059084056 563208779 /nfs/dbraw/zinc/20/87/79/563208779.db2.gz BMPZHHBMACYXKS-UHFFFAOYSA-N 1 0 470.470 5.108 1 0 JKAFRO O=c1cc(-c2ccc(C(F)(F)F)cc2Cl)ccn1-c1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000059082422 563208840 /nfs/dbraw/zinc/20/88/40/563208840.db2.gz VZZOFPBEHXCBGP-UHFFFAOYSA-N 1 0 486.925 5.622 1 0 JKAFRO CCC[N@@H+]1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4ccccc4C(N)=O)n3)c(F)c2)C1 ZINC000059114861 563208852 /nfs/dbraw/zinc/20/88/52/563208852.db2.gz CGLNKCUZVMEOBR-UHFFFAOYSA-N 1 0 485.567 5.182 1 0 JKAFRO Cc1cccnc1[C@H](NC(=O)C1CC[NH+](Cc2cn(C)c3ccccc23)CC1)c1ccc(Cl)cc1 ZINC000061895649 563209706 /nfs/dbraw/zinc/20/97/06/563209706.db2.gz ULEPKGBDHCZVFU-MUUNZHRXSA-N 1 0 487.047 5.653 3 0 JKAFRO Cc1ccc([C@@H](NC(=O)C2CC[NH+](Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccn2)cc1 ZINC000061902259 563209973 /nfs/dbraw/zinc/20/99/73/563209973.db2.gz FEPYGJAUZYZFGM-WJOKGBTCSA-N 1 0 491.635 6.300 3 0 JKAFRO [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccc(C(=O)NCc3ccco3)cn2)n1 ZINC000061902819 563210010 /nfs/dbraw/zinc/21/00/10/563210010.db2.gz HTHHJFSWGBGAQI-GOSISDBHSA-N 1 0 487.507 5.066 3 0 JKAFRO CCCCN(C)C(=O)c1ccc(Nc2nc([C@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)cs2)nc1 ZINC000061905226 563210270 /nfs/dbraw/zinc/21/02/70/563210270.db2.gz QCYKWMDBJTXBTH-GOSISDBHSA-N 1 0 477.556 5.415 3 0 JKAFRO Cc1cccnc1[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1 ZINC000061906171 563210423 /nfs/dbraw/zinc/21/04/23/563210423.db2.gz NEOHLARHYYOGQU-HKBQPEDESA-N 1 0 491.635 6.300 3 0 JKAFRO C[NH+](C)CCNC(=O)c1ccc(-c2cn3c(cn2)ncc3-c2ccc(Oc3ccccc3)cc2)cc1 ZINC000061907168 563210615 /nfs/dbraw/zinc/21/06/15/563210615.db2.gz FEHWRQTWEMENGY-UHFFFAOYSA-N 1 0 477.568 5.147 3 0 JKAFRO O=C(N[C@H](c1ccsc1)c1ccccc1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061908958 563210849 /nfs/dbraw/zinc/21/08/49/563210849.db2.gz KVTXSVAXRDTGNF-DEOSSOPVSA-N 1 0 489.468 6.052 3 0 JKAFRO Cc1ncoc1C(=O)NCC1=C(c2cccc3ccccc32)C[C@@H]2CC[C@H]1[N@@H+]2Cc1ccco1 ZINC000061921159 563210908 /nfs/dbraw/zinc/21/09/08/563210908.db2.gz AKHAUXLXMOMURR-RXFWQSSRSA-N 1 0 453.542 5.350 3 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4cccnc4)c3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823510 581100651 /nfs/dbraw/zinc/10/06/51/581100651.db2.gz VZLIWRWKVADZIQ-ZPVMCPIXSA-N 1 0 490.603 6.533 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cc(F)cc4c3OCOC4)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823549 581100712 /nfs/dbraw/zinc/10/07/12/581100712.db2.gz NKWYCFUVLCSSRA-LJCKNISRSA-N 1 0 489.543 5.476 1 0 JKAFRO C/C=C(\C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@@H]([C@H](C)[NH+](C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000038912073 291551952 /nfs/dbraw/zinc/55/19/52/291551952.db2.gz NYZKFMALHZMJAX-LYKGIQKJSA-N 1 0 484.769 6.108 1 0 biogenic,in-vitro JKAFRO CCCCC[C@@H]1C[C@H]2[C@@H]3[NH2+]CCC[C@H]3C[C@@]34[C@@H](C[C@]23C1)[C@@]1(O)C[C@H]2C=C[C@@H]([C@H]4O)[C@](C)(C2)C1 ZINC000085547500 291580443 /nfs/dbraw/zinc/58/04/43/291580443.db2.gz KABKAJBDGLIJCH-MPPKNCJASA-N 1 0 453.711 5.456 1 0 biogenic,in-vitro JKAFRO COc1ccc(-c2csc(N3[NH2+]C4=C(C[C@H](c5ccccc5)CC4)[C@]3(O)C(F)(F)F)n2)cc1 ZINC000035999487 523168105 /nfs/dbraw/zinc/16/81/05/523168105.db2.gz PMPAMSURRMCKHB-FHJLPGHOSA-N 1 0 473.520 5.830 2 0 JKAFRO CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@@H](CC[C@@H]5[C@@H](C)[C@H]6CC[C@H](C)C[N@H+]6C[C@@H]45)[C@@H]3CC(=O)[C@H]2C1 ZINC000070454891 560047943 /nfs/dbraw/zinc/04/79/43/560047943.db2.gz ZILQFEMATLERQN-QECDWMNOSA-N 1 0 455.683 5.342 1 0 biogenic,in-vitro JKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)(CCCC(C)C)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@H+]34 ZINC000085532539 560072537 /nfs/dbraw/zinc/07/25/37/560072537.db2.gz KOKAENBNOOJAOU-SQUBRRHPSA-N 1 0 471.638 5.188 1 0 biogenic,in-vitro JKAFRO COc1ccc2cc1-c1cc(ccc1OC)[C@@H]1C[C@@H](O)C[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)[N@H+]31 ZINC000085511839 560073763 /nfs/dbraw/zinc/07/37/63/560073763.db2.gz PHIFOVBJQMQYRQ-CPASSRBFSA-N 1 0 479.617 5.058 1 0 biogenic,in-vitro JKAFRO O=C(c1c2ccc(O)cc2sc1-c1cccc(O)c1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000000579801 562918020 /nfs/dbraw/zinc/91/80/20/562918020.db2.gz YQABXVKEERZQAK-UHFFFAOYSA-N 1 0 473.594 6.075 1 0 JKAFRO O=S1(=O)c2cccc3cccc(c23)N1CCC[NH+]1CCC(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000000587489 562918079 /nfs/dbraw/zinc/91/80/79/562918079.db2.gz XCHLEGMBTYTUAM-UHFFFAOYSA-N 1 0 477.605 5.314 1 0 JKAFRO Nc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000000596623 562918306 /nfs/dbraw/zinc/91/83/06/562918306.db2.gz USTDQHUKYVFTSB-UHFFFAOYSA-N 1 0 499.442 5.239 1 0 JKAFRO Cc1ccc2c(C3CC[NH+](CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccc(F)cc3)c2c1 ZINC000000604377 562918570 /nfs/dbraw/zinc/91/85/70/562918570.db2.gz KGASELUWIGUZKN-UHFFFAOYSA-N 1 0 462.613 5.403 1 0 JKAFRO C[C@H]1CC[N@H+](CCOc2ccc(C(=O)c3c4ccc(O)cc4sc3-c3ccc(O)cc3)cc2)C1 ZINC000000839728 562919276 /nfs/dbraw/zinc/91/92/76/562919276.db2.gz NITXIOJXVVTKIJ-SFHVURJKSA-N 1 0 473.594 5.931 1 0 JKAFRO COc1ccc2c(ccc3c2N(c2ccc(OCC[NH+]4CCCCC4)cc2)Cc2cc(OC)ccc2-3)c1 ZINC000001545280 562921036 /nfs/dbraw/zinc/92/10/36/562921036.db2.gz KOMVQXKUDXGFRJ-UHFFFAOYSA-N 1 0 494.635 7.040 1 0 JKAFRO CC/C(=C(/c1ccc(OCC[NH+](C)C)cc1)c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000001548533 562921097 /nfs/dbraw/zinc/92/10/97/562921097.db2.gz JUFZNHUSCGNSBE-ULIFNZDWSA-N 1 0 477.648 7.575 1 0 JKAFRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc21 ZINC000001551995 562921314 /nfs/dbraw/zinc/92/13/14/562921314.db2.gz WWABBSQIRKPECQ-PKKBDPGCSA-N 1 0 492.563 5.679 1 0 JKAFRO CC(=O)c1c(=O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1SCC[NH+]1CCCCCC1 ZINC000001655229 562922697 /nfs/dbraw/zinc/92/26/97/562922697.db2.gz UDQDMTQJGNKLHB-UHFFFAOYSA-N 1 0 479.671 5.528 1 0 JKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N(CCc1ccc(Cl)c(Cl)c1)CC[NH+]1CCCC1 ZINC000001657780 562922793 /nfs/dbraw/zinc/92/27/93/562922793.db2.gz IDESCMSWFKJKRM-UHFFFAOYSA-N 1 0 474.259 6.010 1 0 JKAFRO CC[NH+](CC)CCOc1ccc([C@@H]2c3ccc(OC)cc3OC(C)(C)[C@@H]2c2ccccc2)cc1 ZINC000002021437 562924536 /nfs/dbraw/zinc/92/45/36/562924536.db2.gz OJOPTOCSKFDBFQ-FQLXRVMXSA-N 1 0 459.630 6.503 1 0 JKAFRO CC[NH+](CC)CCOc1ccc([C@H]2c3ccc(OC)cc3OC(C)(C)[C@@H]2c2ccccc2)cc1 ZINC000002021436 562924593 /nfs/dbraw/zinc/92/45/93/562924593.db2.gz OJOPTOCSKFDBFQ-URLMMPGGSA-N 1 0 459.630 6.503 1 0 JKAFRO FC(F)(F)c1cc(CO[C@H]2CCC[N@H+](Cc3ccco3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000003798586 562928431 /nfs/dbraw/zinc/92/84/31/562928431.db2.gz IEYWODZRHHRXAA-GOTSBHOMSA-N 1 0 483.452 7.240 1 0 JKAFRO Fc1ccc(C(c2ccc(F)cc2)C2CC[NH+](CCOc3cccc4ccccc43)CC2)cc1 ZINC000003801044 562928515 /nfs/dbraw/zinc/92/85/15/562928515.db2.gz BTKJGCVHYCJIGL-UHFFFAOYSA-N 1 0 457.564 7.041 1 0 JKAFRO CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000003816585 562929003 /nfs/dbraw/zinc/92/90/03/562929003.db2.gz NUQWXZVFQLROAQ-UHFFFAOYSA-N 1 0 481.641 5.913 1 0 JKAFRO CC[NH+]1CCC(Nc2ccc3c(c2)/C(=C(/c2nc4ccccc4[nH]2)c2ccccc2)C(=O)N3)CC1 ZINC000003820437 562929240 /nfs/dbraw/zinc/92/92/40/562929240.db2.gz QSWVENZGENITTQ-RQZHXJHFSA-N 1 0 463.585 5.370 1 0 JKAFRO CN(CC[NH+]1CCCCC1)c1ccc(C(=O)c2c3ccc(O)cc3sc2-c2ccc(O)cc2)cc1 ZINC000003828542 562929466 /nfs/dbraw/zinc/92/94/66/562929466.db2.gz QYZCWRURCWEHCE-UHFFFAOYSA-N 1 0 486.637 6.133 1 0 JKAFRO CC(C)C(=O)O[C@]1(CC[N@H+](C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C ZINC000003942158 562930367 /nfs/dbraw/zinc/93/03/67/562930367.db2.gz FRFNLRPRBZSCOW-JDXGNMNLSA-N 1 0 493.667 6.281 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(O)ccc2-1 ZINC000003951496 562930727 /nfs/dbraw/zinc/93/07/27/562930727.db2.gz TXINWSAFRMHRJC-HHHXNRCGSA-N 1 0 473.594 6.326 1 0 JKAFRO Oc1ccc2c(ccc3c2[C@@H](c2ccc(OCC[NH+]4CCCCC4)cc2)Oc2cc(O)ccc2-3)c1 ZINC000003951505 562930747 /nfs/dbraw/zinc/93/07/47/562930747.db2.gz BVMPSVISGVGNDN-SSEXGKCCSA-N 1 0 467.565 6.265 1 0 JKAFRO COc1ccc(C(=O)N2CCC3(CCC[N@@H+](C(c4ccccc4)c4ccccc4)C3)CC2)cc1 ZINC000003955783 562930814 /nfs/dbraw/zinc/93/08/14/562930814.db2.gz JSZIUCFPBCTRPP-UHFFFAOYSA-N 1 0 454.614 5.803 1 0 JKAFRO O=S(=O)(c1ccccc1)N1CCC2(CC1)CC[NH+](C(c1ccccc1)c1ccccc1)CC2 ZINC000003956073 562930922 /nfs/dbraw/zinc/93/09/22/562930922.db2.gz QBKITTKJTTXBRF-UHFFFAOYSA-N 1 0 460.643 5.343 1 0 JKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CCCN(c3cc[nH+]cc3)C2)CC1 ZINC000003956091 562930937 /nfs/dbraw/zinc/93/09/37/562930937.db2.gz KYQNBWRUUUOAIA-UHFFFAOYSA-N 1 0 471.445 5.642 1 0 JKAFRO CCN(CCNC(=O)C1CC[NH+](Cc2nc(-c3cccc(Cl)c3)oc2C)CC1)c1ccccc1 ZINC000004056795 562932026 /nfs/dbraw/zinc/93/20/26/562932026.db2.gz IUIWEVQPPHYHKU-UHFFFAOYSA-N 1 0 481.040 5.158 3 0 JKAFRO O=C(c1cnccn1)N1CCC2(CC1)CC[NH+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000004238088 562932781 /nfs/dbraw/zinc/93/27/81/562932781.db2.gz YGYBXXDHJQONLC-UHFFFAOYSA-N 1 0 486.460 5.033 1 0 JKAFRO O=C(c1csnn1)N1CCC2(CC1)CC[NH+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000004238001 562932853 /nfs/dbraw/zinc/93/28/53/562932853.db2.gz DQRFGKGHSJOHIK-UHFFFAOYSA-N 1 0 492.489 5.094 1 0 JKAFRO COc1ccc2[nH]cc(CCNc3nc(-c4ccccc4C[NH+](C)C)nc4ccccc43)c2c1 ZINC000004267554 562933090 /nfs/dbraw/zinc/93/30/90/562933090.db2.gz JRLYZPBQPYHZPH-UHFFFAOYSA-N 1 0 451.574 5.503 1 0 JKAFRO CC[N@@H+]1CCC[C@H](Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc3cc(Cl)ccc32)C1 ZINC000005105989 562933851 /nfs/dbraw/zinc/93/38/51/562933851.db2.gz CNDBBOZQJPYNTH-INIZCTEOSA-N 1 0 450.801 6.230 1 0 JKAFRO COc1ccc(Cc2nc3cc(C(F)(F)F)ccc3n2C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000005544510 562934183 /nfs/dbraw/zinc/93/41/83/562934183.db2.gz TZCMOUOFLGIXFI-CVDCTZTESA-N 1 0 457.540 5.919 1 0 JKAFRO CC[N@@H+]1CC[C@](O)(c2ccc(Oc3ccccc3)cc2)[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000005822603 562935111 /nfs/dbraw/zinc/93/51/11/562935111.db2.gz VZAAVPMTYOEAIJ-CDZUIXILSA-N 1 0 493.603 6.684 1 0 JKAFRO CC(=O)O[C@H]1[C@@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)O[N+](=O)C[C@@H]1c1ccccc1 ZINC000006001941 562936040 /nfs/dbraw/zinc/93/60/40/562936040.db2.gz ZJFNRGLKBZBXOR-GCFVYEKYSA-N 1 0 471.553 5.110 1 0 JKAFRO COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H]([NH+]6CCCC6)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1OC ZINC000006020252 562936543 /nfs/dbraw/zinc/93/65/43/562936543.db2.gz OYKSHQPWYVOWDD-UOHWWKIDSA-N 1 0 491.716 6.485 1 0 JKAFRO CCN1c2ccccc2SC1=CC1=C/C(=C/c2ccc3ccccc3[n+]2CC)CC(C)(C)C1 ZINC000006134653 562936812 /nfs/dbraw/zinc/93/68/12/562936812.db2.gz ZSWYQASNUBUUIC-UHFFFAOYSA-N 1 0 453.675 7.751 1 0 JKAFRO CCCC[C@H](C(=O)NC1CCCCC1)N(CCC[NH+](CC)CC)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000006481530 562937279 /nfs/dbraw/zinc/93/72/79/562937279.db2.gz QPNGSINODZKQRV-MUUNZHRXSA-N 1 0 494.724 5.864 1 0 JKAFRO CCCC[C@@H](C(=O)NC1CCCCC1)N(CCC[NH+](CC)CC)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000006481371 562937318 /nfs/dbraw/zinc/93/73/18/562937318.db2.gz QPNGSINODZKQRV-NDEPHWFRSA-N 1 0 494.724 5.864 1 0 JKAFRO C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000006744953 562938294 /nfs/dbraw/zinc/93/82/94/562938294.db2.gz WGYZSJCMDOXKNM-FSQCKCQLSA-N 1 0 491.603 6.367 1 0 JKAFRO C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)cc1)[N@@H+]1CCC[C@H]1C ZINC000006744950 562938332 /nfs/dbraw/zinc/93/83/32/562938332.db2.gz IQWWKHVNEDNTHC-FSQCKCQLSA-N 1 0 491.603 6.510 1 0 JKAFRO CCCn1c(-c2ccc(F)cc2)nc2c1nc(C)nc2N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000008017243 562938341 /nfs/dbraw/zinc/93/83/41/562938341.db2.gz FSKYLXTZVRCCNL-UHFFFAOYSA-N 1 0 458.585 5.063 1 0 JKAFRO Cc1nc2c(nc(-c3ccccc3)n2CCC[N@H+]2CCCC[C@H]2C)c(NCc2ccccc2)n1 ZINC000008017406 562938465 /nfs/dbraw/zinc/93/84/65/562938465.db2.gz ANNKCZWRLGFVOS-OAQYLSRUSA-N 1 0 454.622 5.678 1 0 JKAFRO O[C@H](C[NH2+]CCc1c[nH]c2ccccc12)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000008396980 562939023 /nfs/dbraw/zinc/93/90/23/562939023.db2.gz BZBBUEQNTMIIJL-QFBILLFUSA-N 1 0 452.385 5.942 3 0 JKAFRO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008670747 562949310 /nfs/dbraw/zinc/94/93/10/562949310.db2.gz WAORDGOWMGVLES-UHFFFAOYSA-N 1 0 459.981 5.167 3 0 JKAFRO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cc4c(-c5ccccc5F)nn(C)c4s3)CC2)c1 ZINC000009693086 562956764 /nfs/dbraw/zinc/95/67/64/562956764.db2.gz UGWYIMQTRJJSGI-UHFFFAOYSA-N 1 0 476.621 5.391 1 0 JKAFRO CN(C(=O)c1cccc(CN2Cc3cc(Oc4ccccc4)ccc3NC2=[NH2+])c1)C1CCCCC1 ZINC000010339580 562957118 /nfs/dbraw/zinc/95/71/18/562957118.db2.gz FXTPEHCYBUSFBC-UHFFFAOYSA-N 1 0 468.601 5.846 1 0 JKAFRO Oc1ccc([C@@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000012503888 562960348 /nfs/dbraw/zinc/96/03/48/562960348.db2.gz TWZNCTCQAGRUGQ-SVBPBHIXSA-N 1 0 463.599 5.930 1 0 JKAFRO Clc1ccccc1-c1cc(N(CCC[NH+]2CCCCCC2)Cc2ccc3c(c2)OCO3)on1 ZINC000013437502 562962486 /nfs/dbraw/zinc/96/24/86/562962486.db2.gz FRLMPPRHWCNHEX-UHFFFAOYSA-N 1 0 467.997 5.996 1 0 JKAFRO COc1ccc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)cc1OC ZINC000013437556 562962496 /nfs/dbraw/zinc/96/24/96/562962496.db2.gz DDRMGODWPHQLKJ-UHFFFAOYSA-N 1 0 493.604 5.360 1 0 JKAFRO Cc1cccc(CN(C(=O)CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC[NH2+]CC2)c1 ZINC000013437278 562962511 /nfs/dbraw/zinc/96/25/11/562962511.db2.gz AHZXIVAPVSBKAL-UHFFFAOYSA-N 1 0 472.473 5.746 1 0 JKAFRO CCCCCN1CN(c2ccccc2)C2(CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)C1=O ZINC000013448514 562964492 /nfs/dbraw/zinc/96/44/92/562964492.db2.gz DGNKTCJDFITHNL-UHFFFAOYSA-N 1 0 465.613 5.120 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2c(CCC)cn3ccccc23)cc1 ZINC000013451437 562964686 /nfs/dbraw/zinc/96/46/86/562964686.db2.gz AYLUWDTWMKYKEM-UHFFFAOYSA-N 1 0 484.706 6.396 1 0 JKAFRO CCCC[NH+](CCCC)CCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1 ZINC000013451464 562964744 /nfs/dbraw/zinc/96/47/44/562964744.db2.gz RYCREWJFODPPDC-UHFFFAOYSA-N 1 0 456.652 5.616 1 0 JKAFRO Cc1c(COCC[NH+]2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000013472861 562966117 /nfs/dbraw/zinc/96/61/17/562966117.db2.gz UOINGXZXFWPPEF-UHFFFAOYSA-N 1 0 478.851 6.810 1 0 JKAFRO CSc1ccc(CC2CC[NH+](C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 ZINC000013474978 562966883 /nfs/dbraw/zinc/96/68/83/562966883.db2.gz OQLJNIIPOOCAGL-UHFFFAOYSA-N 1 0 450.692 5.975 1 0 JKAFRO COc1cccc(NC(=O)Nc2cc(CO)ccc2C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000013475821 562967110 /nfs/dbraw/zinc/96/71/10/562967110.db2.gz HYQURJMMWKKORU-UHFFFAOYSA-N 1 0 459.590 5.286 1 0 JKAFRO COC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)c(NC(=O)Nc2cccc(OC)c2)c1 ZINC000013475817 562967130 /nfs/dbraw/zinc/96/71/30/562967130.db2.gz MICNQVZTKFBIMO-UHFFFAOYSA-N 1 0 487.600 5.581 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(F)c1)S(=O)(=O)c1ccccc1 ZINC000013479351 562967481 /nfs/dbraw/zinc/96/74/81/562967481.db2.gz GOAGIHPIVKFWDD-AREMUKBSSA-N 1 0 480.649 5.500 1 0 JKAFRO CN(C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(F)c1)S(=O)(=O)c1ccccc1 ZINC000013479353 562967498 /nfs/dbraw/zinc/96/74/98/562967498.db2.gz GOAGIHPIVKFWDD-SANMLTNESA-N 1 0 480.649 5.500 1 0 JKAFRO CCOc1cc(Br)c(OCC)c(C[NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c1 ZINC000013487774 562967913 /nfs/dbraw/zinc/96/79/13/562967913.db2.gz CYCOLAMOTXQTFG-UHFFFAOYSA-N 1 0 474.399 5.092 1 0 JKAFRO CNc1c(Br)cc(Br)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487768 562967920 /nfs/dbraw/zinc/96/79/20/562967920.db2.gz DFEBWYHASYPBQC-UHFFFAOYSA-N 1 0 494.231 5.099 1 0 JKAFRO Fc1ccc(C(OCC=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000013487731 562967929 /nfs/dbraw/zinc/96/79/29/562967929.db2.gz UVEZCGSQMOEHNU-RNPORBBMSA-N 1 0 473.607 7.257 1 0 JKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1 ZINC000013489482 562968716 /nfs/dbraw/zinc/96/87/16/562968716.db2.gz BSFBSBUVPRPQFW-AREMUKBSSA-N 1 0 475.379 5.486 1 0 JKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1 ZINC000013489483 562968729 /nfs/dbraw/zinc/96/87/29/562968729.db2.gz BSFBSBUVPRPQFW-SANMLTNESA-N 1 0 475.379 5.486 1 0 JKAFRO CC(C)(O)c1ccc([C@H](O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013489969 562969049 /nfs/dbraw/zinc/96/90/49/562969049.db2.gz DRGRCRRKRGIMMI-GDLZYMKVSA-N 1 0 473.657 5.376 1 0 JKAFRO Oc1cccc([C@@H]2CCc3cc(O)ccc3N2Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000013490110 562969167 /nfs/dbraw/zinc/96/91/67/562969167.db2.gz VPHDBSKPCLXHJV-NDEPHWFRSA-N 1 0 458.602 5.657 1 0 JKAFRO CC(c1ccc([S@@](=O)C(C)C)cc1)=C1CC[NH+](C2CCN(C(=O)c3cccc(C)c3N)CC2)CC1 ZINC000013492461 562969797 /nfs/dbraw/zinc/96/97/97/562969797.db2.gz XJRLOGFGFIUPDO-PGUFJCEWSA-N 1 0 493.717 5.267 1 0 JKAFRO C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1 ZINC000013493164 562970257 /nfs/dbraw/zinc/97/02/57/562970257.db2.gz ACKXHGYZLMTECL-UHFFFAOYSA-N 1 0 473.617 5.098 1 0 JKAFRO C[C@]1(c2ccc(OCC[NH+]3CCCCCC3)cc2)c2ccc(O)cc2CCN1c1ccccc1 ZINC000013523280 562971037 /nfs/dbraw/zinc/97/10/37/562971037.db2.gz JIJPAWIWJLCFNW-PMERELPUSA-N 1 0 456.630 5.973 1 0 JKAFRO C[C@]1(c2ccc(OCC[NH+]3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(Cl)c1 ZINC000013523379 562971113 /nfs/dbraw/zinc/97/11/13/562971113.db2.gz IOFOGLZEKKPQKF-LJAQVGFWSA-N 1 0 477.048 6.237 1 0 JKAFRO CC(C)c1ccc(N2CCc3cc(O)ccc3[C@]2(C)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013523348 562971138 /nfs/dbraw/zinc/97/11/38/562971138.db2.gz DKSQEJYZOQNOID-YTTGMZPUSA-N 1 0 484.684 6.707 1 0 JKAFRO CN(C)c1cccc(N2CCc3cc(O)ccc3[C@@]2(C)c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000013523393 562971141 /nfs/dbraw/zinc/97/11/41/562971141.db2.gz LRBZQKOFLDXLHL-SSEXGKCCSA-N 1 0 471.645 5.259 1 0 JKAFRO C[C@]1(c2ccc(OCC[NH+]3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccc(Cl)cc1 ZINC000013523324 562971144 /nfs/dbraw/zinc/97/11/44/562971144.db2.gz VFTGSSVGPZVFJF-LJAQVGFWSA-N 1 0 477.048 6.237 1 0 JKAFRO C[C@@]1(c2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(Cl)c1 ZINC000013523374 562971174 /nfs/dbraw/zinc/97/11/74/562971174.db2.gz NOEDKQODZYGAAO-MUUNZHRXSA-N 1 0 463.021 5.846 1 0 JKAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2cccc(Oc3ccccc3)c2)CC1 ZINC000013526318 562971490 /nfs/dbraw/zinc/97/14/90/562971490.db2.gz WZBDKFBWHQBNSS-WUKNDPDISA-N 1 0 485.628 5.219 1 0 JKAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2ccc(-c3ccccc3)cc2)CC1 ZINC000013526295 562971494 /nfs/dbraw/zinc/97/14/94/562971494.db2.gz JOCSRIUJRNEKRZ-OBGWFSINSA-N 1 0 469.629 5.094 1 0 JKAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2ccc(Oc3ccccc3)cc2)CC1 ZINC000013526299 562971553 /nfs/dbraw/zinc/97/15/53/562971553.db2.gz VSWBBUWHPLHOIX-OBGWFSINSA-N 1 0 485.628 5.219 1 0 JKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000013529024 562971944 /nfs/dbraw/zinc/97/19/44/562971944.db2.gz BSYXRZZXKDWSGO-GDLZYMKVSA-N 1 0 493.647 6.054 1 0 JKAFRO C/C(=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1)C(C)C ZINC000013529627 562972164 /nfs/dbraw/zinc/97/21/64/562972164.db2.gz BWTGOLYEGGOWMU-KFDGPNQLSA-N 1 0 468.770 6.945 1 0 JKAFRO O=C(C[NH2+]C1CCCC1)N[C@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000013529582 562972187 /nfs/dbraw/zinc/97/21/87/562972187.db2.gz KMXSJSIRHCXWKV-SANMLTNESA-N 1 0 464.502 5.685 1 0 JKAFRO FC(F)(F)c1ccc(O[C@@H](CC[NH+]2CCN(c3nsc4ccccc43)CC2)c2ccccc2)cc1 ZINC000013530604 562972210 /nfs/dbraw/zinc/97/22/10/562972210.db2.gz RPOZUIGORSHZLP-DEOSSOPVSA-N 1 0 497.586 6.648 1 0 JKAFRO O=C(N[C@@H](C(=O)NCC1CC[NH+](C2CCCC2)CC1)c1ccccc1)c1ccc2c(Cl)c[nH]c2c1 ZINC000013534900 562972558 /nfs/dbraw/zinc/97/25/58/562972558.db2.gz ZSEFAYMQUUGIGY-AREMUKBSSA-N 1 0 493.051 5.063 1 0 JKAFRO CC(C)(C)c1ccc(C2=Cc3ccc(NC(=O)Cc4ccccn4)cc3C3=[NH+]CCCN23)cc1 ZINC000013555272 562973663 /nfs/dbraw/zinc/97/36/63/562973663.db2.gz HFLSFJBXXQYYBE-UHFFFAOYSA-N 1 0 450.586 5.524 1 0 JKAFRO N=C1NC(=[NH2+])N[C@@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1c1cccc(Cl)c1 ZINC000013559328 562974875 /nfs/dbraw/zinc/97/48/75/562974875.db2.gz NQOAVWUDLYOSJF-LJQANCHMSA-N 1 0 459.859 5.299 1 0 JKAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2Cc1cc(-c2ccc(Br)cc2)cnc1[C@@H]3O5 ZINC000013559700 562975057 /nfs/dbraw/zinc/97/50/57/562975057.db2.gz QLUHBBPMGPGYMW-RXJAJXMTSA-N 1 0 475.386 5.021 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560289 562975251 /nfs/dbraw/zinc/97/52/51/562975251.db2.gz NCDCQNWXYJMYAZ-UHFFFAOYSA-N 1 0 481.684 6.601 1 0 JKAFRO CC1([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000013560297 562975284 /nfs/dbraw/zinc/97/52/84/562975284.db2.gz RYDKSVOIYJIUMD-UHFFFAOYSA-N 1 0 492.667 6.465 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560286 562975287 /nfs/dbraw/zinc/97/52/87/562975287.db2.gz JBRPUKJNMGIQRP-UHFFFAOYSA-N 1 0 495.711 6.469 1 0 JKAFRO COc1ccc2[nH]cc(CCCC[NH+]3CCN(c4ccc(OC(=O)C(C)(C)C)cc4)CC3)c2c1 ZINC000013582394 562975924 /nfs/dbraw/zinc/97/59/24/562975924.db2.gz NVUYURVDDUMVRT-UHFFFAOYSA-N 1 0 463.622 5.273 1 0 JKAFRO CCCCN(CC)c1cc(C)[nH+]c2c1NC(=O)CN2c1ccc(C(C)C)cc1Br ZINC000013584808 562976295 /nfs/dbraw/zinc/97/62/95/562976295.db2.gz DGJZQKKOYYDIGL-UHFFFAOYSA-N 1 0 459.432 5.993 1 0 JKAFRO COc1cccc2sc([C@H]3CC[N@H+](C[C@H](O)COc4cccc5oc(C)cc54)[C@@H](C)C3)cc21 ZINC000013587202 562976880 /nfs/dbraw/zinc/97/68/80/562976880.db2.gz NNWMNOCTZDIGBT-IHPCNDPISA-N 1 0 465.615 5.972 1 0 JKAFRO COc1cccc2sc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]c(C)cc54)[C@@H](C)C3)cc21 ZINC000013587182 562976894 /nfs/dbraw/zinc/97/68/94/562976894.db2.gz MBTNZOCGXGVNLT-ZCNNSNEGSA-N 1 0 464.631 5.707 1 0 JKAFRO CCC[N@@H+](Cc1sc(Nc2c(C)cc(C)cc2Br)nc1C(F)(F)F)CC1CC1 ZINC000013587338 562977021 /nfs/dbraw/zinc/97/70/21/562977021.db2.gz VKTLOCDSVVADAB-UHFFFAOYSA-N 1 0 476.406 6.907 1 0 JKAFRO CCC[N@@H+](Cc1sc(N(CC)c2c(C)cc(C)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587341 562977040 /nfs/dbraw/zinc/97/70/40/562977040.db2.gz VTXGMWSAZQHNQL-UHFFFAOYSA-N 1 0 460.009 7.212 1 0 JKAFRO CCC[N@@H+](Cc1oc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587350 562977063 /nfs/dbraw/zinc/97/70/63/562977063.db2.gz IHNKLXUVJQETDQ-UHFFFAOYSA-N 1 0 456.723 7.019 1 0 JKAFRO CC1CC[NH+](CCOc2ccc(C3=C[C@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 ZINC000013587735 562977257 /nfs/dbraw/zinc/97/72/57/562977257.db2.gz FHWCPEYOTBGTJH-HKBQPEDESA-N 1 0 467.609 5.886 1 0 JKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nncn12 ZINC000013587835 562977431 /nfs/dbraw/zinc/97/74/31/562977431.db2.gz JCOZTPMIDAVRPV-MHZLTWQESA-N 1 0 499.405 5.840 1 0 JKAFRO O=C(NCCCCc1ccc(OC(F)(F)F)cc1)c1ccccc1C[NH2+]CCc1ccc(O)cc1 ZINC000013589119 562977934 /nfs/dbraw/zinc/97/79/34/562977934.db2.gz UWGSPSNBAPGJOF-UHFFFAOYSA-N 1 0 486.534 5.376 1 0 JKAFRO CCCC[C@H]1Cc2cc(OC)ccc2-c2c(C[NH2+]Cc3ccccc3)c3ccc(OC)cc3n21 ZINC000013606400 562978762 /nfs/dbraw/zinc/97/87/62/562978762.db2.gz VEBGEVVMYXASBM-QHCPKHFHSA-N 1 0 454.614 6.903 1 0 JKAFRO O=C(Nc1ccc(-n2cncn2)cc1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613357 562979815 /nfs/dbraw/zinc/97/98/15/562979815.db2.gz QAZWZNQUFOFJJZ-VMODYCNZSA-N 1 0 490.627 5.041 1 0 JKAFRO O=C(Nc1ccc2[nH]ccc2c1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613312 562979850 /nfs/dbraw/zinc/97/98/50/562979850.db2.gz YHFFIZVSOADVRF-JEYPMZLKSA-N 1 0 462.613 5.942 1 0 JKAFRO CC(=O)c1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013613187 562979856 /nfs/dbraw/zinc/97/98/56/562979856.db2.gz KUOOPYAWZGYOPB-SQHAQQRYSA-N 1 0 465.613 5.663 1 0 JKAFRO CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000013613252 562979866 /nfs/dbraw/zinc/97/98/66/562979866.db2.gz ASRDPULQBHFPGU-RWCIVJTCSA-N 1 0 465.613 5.663 1 0 JKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(OCCc2ccc(F)cc2)c1 ZINC000013643341 562980404 /nfs/dbraw/zinc/98/04/04/562980404.db2.gz CKSYIUHRYUDSQE-UHFFFAOYSA-N 1 0 467.972 5.142 1 0 JKAFRO COc1cccc(CCOc2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)ccc2Cl)c1 ZINC000013643353 562980528 /nfs/dbraw/zinc/98/05/28/562980528.db2.gz KAZPUVKCBZSLAR-UHFFFAOYSA-N 1 0 480.008 5.012 1 0 JKAFRO Cc1ccc(O)c(NCCC[NH+]2CCC(OC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000013651780 562981699 /nfs/dbraw/zinc/98/16/99/562981699.db2.gz PWPYZNHDLWLTGF-UHFFFAOYSA-N 1 0 466.572 6.051 1 0 JKAFRO CCC[NH+](CCC)CC[C@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21 ZINC000013651505 562981720 /nfs/dbraw/zinc/98/17/20/562981720.db2.gz OIDINXPOSCPBBE-JOCHJYFZSA-N 1 0 462.638 5.284 1 0 JKAFRO O[C@@H](COc1cccc2ncccc21)C[NH+]1CCC(=C(c2ccccc2)c2ccccc2)CC1 ZINC000013652245 562981742 /nfs/dbraw/zinc/98/17/42/562981742.db2.gz FGYCYFFGOSCENZ-AREMUKBSSA-N 1 0 450.582 5.572 1 0 JKAFRO COc1ccc([C@@H](CC[N@@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc1 ZINC000013661035 562982183 /nfs/dbraw/zinc/98/21/83/562982183.db2.gz YCEJCHONGICRJP-XMSQKQJNSA-N 1 0 465.590 5.381 3 0 JKAFRO CC[NH+](CC)CC[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(C)cc(=O)oc21 ZINC000013661239 562982261 /nfs/dbraw/zinc/98/22/61/562982261.db2.gz CVICSNHRZYVGTQ-LJQANCHMSA-N 1 0 499.604 5.008 3 0 JKAFRO CC[NH+](CC)CC[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(C)cc(=O)oc21 ZINC000013661237 562982265 /nfs/dbraw/zinc/98/22/65/562982265.db2.gz CVICSNHRZYVGTQ-IBGZPJMESA-N 1 0 499.604 5.008 3 0 JKAFRO Cc1ccc(SC[C@H](Cc2ccccc2)N2CC[N@H+](CCc3ccccc3)CCC2=O)cc1 ZINC000013661707 562982426 /nfs/dbraw/zinc/98/24/26/562982426.db2.gz NLUNFZLCNBXHOE-MHZLTWQESA-N 1 0 458.671 5.475 3 0 JKAFRO Cc1cc(OCC[NH+](C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000013671989 562982625 /nfs/dbraw/zinc/98/26/25/562982625.db2.gz OWXQNZISSGATPD-IZZDOVSWSA-N 1 0 459.468 5.034 1 0 JKAFRO Cc1cc(N[C@@H](C)C[NH+](C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000013671978 562982647 /nfs/dbraw/zinc/98/26/47/562982647.db2.gz VHJCFOPANRJFEX-CRVDFBCUSA-N 1 0 472.511 5.456 1 0 JKAFRO Cc1c(C(=O)c2ccc(I)cc2)c2ccccc2n1C[C@H]1CCCC[N@H+]1C ZINC000013674201 562982920 /nfs/dbraw/zinc/98/29/20/562982920.db2.gz XUGCXQVKBYCHHU-LJQANCHMSA-N 1 0 472.370 5.270 1 0 JKAFRO CCc1cc(Nc2cc(=O)n(CCCCC[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]2)ccc1C ZINC000013674979 562983122 /nfs/dbraw/zinc/98/31/22/562983122.db2.gz YTDGKAKXSJZKPA-UHFFFAOYSA-N 1 0 490.623 5.250 1 0 JKAFRO O=C(NCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1c[nH]c2ccccc21 ZINC000013675663 562983267 /nfs/dbraw/zinc/98/32/67/562983267.db2.gz BNYZFCXUCLRASW-UHFFFAOYSA-N 1 0 475.036 6.651 1 0 JKAFRO O=C(NCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1c[nH]c2ccccc21 ZINC000013675665 562983280 /nfs/dbraw/zinc/98/32/80/562983280.db2.gz FAYCJMALFQZDBF-UHFFFAOYSA-N 1 0 489.063 7.041 1 0 JKAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1ccccc1C(=O)c1ccccc1 ZINC000013679945 562984103 /nfs/dbraw/zinc/98/41/03/562984103.db2.gz LQELPESMSZISMU-UHFFFAOYSA-N 1 0 452.598 5.018 1 0 JKAFRO O[C@@H](CCc1ccccc1)C[NH+]1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013683644 562984279 /nfs/dbraw/zinc/98/42/79/562984279.db2.gz GLGCNDZGYPRTRL-LJAQVGFWSA-N 1 0 479.611 6.167 1 0 JKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CC[NH+]2CCCCCC2)c1 ZINC000013685201 562984341 /nfs/dbraw/zinc/98/43/41/562984341.db2.gz QHGDIVQNYIWTEJ-UHFFFAOYSA-N 1 0 469.589 6.349 1 0 JKAFRO COC(=O)C1=CCC[N@H+](CCOC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)C1 ZINC000013729584 562985117 /nfs/dbraw/zinc/98/51/17/562985117.db2.gz RFRUJMWKDGQHTI-UHFFFAOYSA-N 1 0 487.440 5.635 1 0 JKAFRO CC(C)N1CCN(CC[NH+]2CCC(c3cn(-c4ccc(F)cc4)c4cc(F)ccc34)CC2)C1=O ZINC000013731168 562985237 /nfs/dbraw/zinc/98/52/37/562985237.db2.gz APNZRLLPQMBJPZ-UHFFFAOYSA-N 1 0 466.576 5.234 1 0 JKAFRO CN(CCCC[NH+]1CCN(c2csc3cc(F)ccc32)CC1)C(=O)c1nsc2ccccc21 ZINC000013737872 562986292 /nfs/dbraw/zinc/98/62/92/562986292.db2.gz MPZIBOGLQLOZET-UHFFFAOYSA-N 1 0 482.650 5.325 1 0 JKAFRO COc1ccc(-c2c(CC[NH+]3CCN(c4cc(C)ccn4)CC3)c3cccc4c3n2CCC4)cc1 ZINC000013740417 562986707 /nfs/dbraw/zinc/98/67/07/562986707.db2.gz BRFVUHVMOMNHPM-UHFFFAOYSA-N 1 0 466.629 5.331 1 0 JKAFRO Cc1ccc(-c2c(CC[NH+]3CCN(c4cc(C)ccn4)CC3)c3cccc4c3n2CCC4)cc1 ZINC000013740414 562986733 /nfs/dbraw/zinc/98/67/33/562986733.db2.gz LCXZLHAYRLPDHD-UHFFFAOYSA-N 1 0 450.630 5.631 1 0 JKAFRO Cc1ccnc(N2CC[NH+](CCc3c4cccc5c4n(c3-c3ccc(O)cc3)CCC5)CC2)c1 ZINC000013740418 562986763 /nfs/dbraw/zinc/98/67/63/562986763.db2.gz DEJBYZQKRPJPLR-UHFFFAOYSA-N 1 0 452.602 5.028 1 0 JKAFRO Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cccc3c2n1[C@@H](C1CCCCC1)CC3 ZINC000013740437 562986863 /nfs/dbraw/zinc/98/68/63/562986863.db2.gz SNSQNTMMECTXHN-MUUNZHRXSA-N 1 0 456.678 6.085 1 0 JKAFRO CCCC[C@H]1CCc2cc(OC)cc3c(CC[NH+]4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000013740447 562986872 /nfs/dbraw/zinc/98/68/72/562986872.db2.gz FEMWGJLEXOCVFL-DEOSSOPVSA-N 1 0 460.666 5.704 1 0 JKAFRO Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cccc3c2n1[C@H](c1ccccc1)CC3 ZINC000013740439 562986884 /nfs/dbraw/zinc/98/68/84/562986884.db2.gz YESFCFFJOUJQQT-NDEPHWFRSA-N 1 0 450.630 5.553 1 0 JKAFRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c2ccccc21 ZINC000013758039 562988890 /nfs/dbraw/zinc/98/88/90/562988890.db2.gz RVRBBMLDJGOSIK-QHCPKHFHSA-N 1 0 482.411 6.289 1 0 JKAFRO C[C@@H]1SC2(CCCC2)C(=O)N1CCCC[NH+]1CCN(c2csc3cc(Cl)ccc32)CC1 ZINC000013759431 562989197 /nfs/dbraw/zinc/98/91/97/562989197.db2.gz IQFDCWASJWOOSB-SFHVURJKSA-N 1 0 478.127 5.691 1 0 JKAFRO C[C@@H]1SC(C)(C)C(=O)N1CCCC[NH+]1CCN(c2cn(-c3ccc(F)cc3)c3ccccc23)CC1 ZINC000013759416 562989214 /nfs/dbraw/zinc/98/92/14/562989214.db2.gz YGZBJEJSQMGESX-NRFANRHFSA-N 1 0 494.680 5.372 1 0 JKAFRO C[C@H]1SC2(CCCC2)C(=O)N1CCCC[NH+]1CCN(c2csc3cc(Cl)ccc32)CC1 ZINC000013759433 562989241 /nfs/dbraw/zinc/98/92/41/562989241.db2.gz IQFDCWASJWOOSB-GOSISDBHSA-N 1 0 478.127 5.691 1 0 JKAFRO C[C@H]1SC(C)(C)C(=O)N1CCCC[NH+]1CCN(c2csc3cc(Cl)ccc32)CC1 ZINC000013759443 562989259 /nfs/dbraw/zinc/98/92/59/562989259.db2.gz NHIYPLSPTIMDLJ-MRXNPFEDSA-N 1 0 452.089 5.157 1 0 JKAFRO CCCN1c2ccccc2C([C@H]2CCC(C)(C)CC[N@@H+]2C)=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O ZINC000013764009 562990493 /nfs/dbraw/zinc/99/04/93/562990493.db2.gz JURXRRONKJCFBV-RSXGOPAZSA-N 1 0 489.664 5.199 1 0 JKAFRO NC(=[NH2+])c1cccc(C[C@@H](CO)[C@@H](/C=C/c2ccccc2)NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000013777696 562991157 /nfs/dbraw/zinc/99/11/57/562991157.db2.gz DJRCYKRRZXJXEI-XRWRUKBYSA-N 1 0 489.619 5.301 1 0 JKAFRO Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)N(CC[NH+](C)C)CCO5)cc3)c(C)c2)no1 ZINC000013779296 562991429 /nfs/dbraw/zinc/99/14/29/562991429.db2.gz CLSGNFLCVLTDRU-UHFFFAOYSA-N 1 0 497.599 5.033 1 0 JKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5cccc(-c6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000013780464 562991804 /nfs/dbraw/zinc/99/18/04/562991804.db2.gz BODOIOJWEKAOMM-DZVDWBIPSA-N 1 0 490.603 5.240 1 0 JKAFRO CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCC[NH+]1CCCC1)c1ccccc1 ZINC000013795704 562993042 /nfs/dbraw/zinc/99/30/42/562993042.db2.gz CKOBJKXFKZEPEL-SANMLTNESA-N 1 0 479.624 6.258 1 0 JKAFRO C[N@H+](CCc1ccc(F)cc1)C[C@@H]1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 ZINC000013803917 562994879 /nfs/dbraw/zinc/99/48/79/562994879.db2.gz XVRWPBKYLFMIHN-SANMLTNESA-N 1 0 460.637 5.818 1 0 JKAFRO Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 ZINC000013805880 562995155 /nfs/dbraw/zinc/99/51/55/562995155.db2.gz NCXZEVAISDJVIG-VSGJHWFKSA-N 1 0 488.405 7.573 1 0 JKAFRO Clc1ccc([C@H]2[C@H]3C[N@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000013812931 562995836 /nfs/dbraw/zinc/99/58/36/562995836.db2.gz HTBTVSPEPVRINY-JENGUWKOSA-N 1 0 483.099 7.804 3 0 JKAFRO Clc1ccc([C@H]2[C@H]3C[N@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000013813000 562995881 /nfs/dbraw/zinc/99/58/81/562995881.db2.gz HXDJBGPUNBJASD-AQIUQABFSA-N 1 0 484.087 7.199 3 0 JKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](C)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000013812940 562995886 /nfs/dbraw/zinc/99/58/86/562995886.db2.gz NQTQHCVFYOAGHR-YSPZNPPASA-N 1 0 491.553 6.610 3 0 JKAFRO O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000013819791 562997257 /nfs/dbraw/zinc/99/72/57/562997257.db2.gz LDBILOUYTWRBLS-HSZRJFAPSA-N 1 0 476.646 5.072 1 0 JKAFRO O=C(CCCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820045 562997342 /nfs/dbraw/zinc/99/73/42/562997342.db2.gz URHASXPLVHBLAG-ZLZBJJAKSA-N 1 0 477.718 5.749 1 0 JKAFRO O=C(CCCCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820047 562997415 /nfs/dbraw/zinc/99/74/15/562997415.db2.gz AZRSMTXWABRQHY-RFJFUGTDSA-N 1 0 491.745 6.139 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccccc2F)CC1)NC1c2ccccc2C=Cc2ccccc21 ZINC000013820574 562997546 /nfs/dbraw/zinc/99/75/46/562997546.db2.gz RPDKKJOLQGKVGL-UHFFFAOYSA-N 1 0 455.577 5.118 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000013824892 562998201 /nfs/dbraw/zinc/99/82/01/562998201.db2.gz RGPVIYPWZPOWLD-SSEXGKCCSA-N 1 0 475.604 6.350 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(c2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000013824894 562998208 /nfs/dbraw/zinc/99/82/08/562998208.db2.gz HNFHPRINJNFNEY-UHFFFAOYSA-N 1 0 493.594 6.489 1 0 JKAFRO CS(=O)(=O)N(CC[NH+]1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)c1cccc2ccccc21 ZINC000013826849 562998472 /nfs/dbraw/zinc/99/84/72/562998472.db2.gz FEIKDGZRYAUDTC-UHFFFAOYSA-N 1 0 479.621 5.181 1 0 JKAFRO CCCCCNC(=O)Nc1c(OCCC[NH+]2CCC(c3ccccc3)CC2)cccc1N(C)C ZINC000013827580 562998762 /nfs/dbraw/zinc/99/87/62/562998762.db2.gz NDOWHJVXVUAWQD-UHFFFAOYSA-N 1 0 466.670 5.713 1 0 JKAFRO COc1ccc(-c2sc3ccccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834285 563000844 /nfs/dbraw/zinc/00/08/44/563000844.db2.gz QDLTTZGSVRQIKR-UHFFFAOYSA-N 1 0 471.622 6.673 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccccc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834302 563000932 /nfs/dbraw/zinc/00/09/32/563000932.db2.gz QMDVSLSBTALLFL-UHFFFAOYSA-N 1 0 457.595 6.370 1 0 JKAFRO O=C(c1c2cc(F)c(O)cc2sc1-c1ccc(O)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834296 563000951 /nfs/dbraw/zinc/00/09/51/563000951.db2.gz DSODZSDBFKQUST-UHFFFAOYSA-N 1 0 491.584 6.214 1 0 JKAFRO Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@@H]3CCC[C@@H](C[NH3+])C3)o1)C(C)(C)CCC2(C)C ZINC000013860617 563002199 /nfs/dbraw/zinc/00/21/99/563002199.db2.gz ZULJJCAYLALRFV-NHCUHLMSSA-N 1 0 450.667 6.023 1 0 JKAFRO Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@H]3CCC[C@H](C[NH3+])C3)o1)C(C)(C)CCC2(C)C ZINC000013860620 563002276 /nfs/dbraw/zinc/00/22/76/563002276.db2.gz ZULJJCAYLALRFV-SFTDATJTSA-N 1 0 450.667 6.023 1 0 JKAFRO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2cccc3ccccc32)c2cccs2)CC1 ZINC000013861771 563002597 /nfs/dbraw/zinc/00/25/97/563002597.db2.gz MTHGYQOEWSGLNG-HHHXNRCGSA-N 1 0 458.627 6.242 1 0 JKAFRO FC(F)(F)c1ccc(O[C@@H](CC[NH+]2CCN(c3ccccc3Cl)CC2)c2ccccc2)cc1 ZINC000013861725 563002618 /nfs/dbraw/zinc/00/26/18/563002618.db2.gz FAVQYEYEEFOPQP-VWLOTQADSA-N 1 0 474.954 6.691 1 0 JKAFRO CC[N@H+](Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(C)c1ccccc1 ZINC000013862485 563002885 /nfs/dbraw/zinc/00/28/85/563002885.db2.gz OEONXGPFOYMYQK-UHFFFAOYSA-N 1 0 485.631 7.201 1 0 JKAFRO CC[N@H+](Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1ccccc1 ZINC000013862488 563002913 /nfs/dbraw/zinc/00/29/13/563002913.db2.gz CFRYZNPYPAFSRK-UHFFFAOYSA-N 1 0 485.631 6.854 1 0 JKAFRO COc1c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCCC2)cc(Br)c2ccccc21 ZINC000013862876 563003057 /nfs/dbraw/zinc/00/30/57/563003057.db2.gz BOSOVNGIOQDIAC-SFHVURJKSA-N 1 0 459.428 5.528 1 0 JKAFRO COc1c(C(=O)NC2CC[NH+](C3C4CCCC3CCC4)CC2)cc(Br)c2ccccc21 ZINC000013862860 563003105 /nfs/dbraw/zinc/00/31/05/563003105.db2.gz PDTZJFWZZFJDIT-UHFFFAOYSA-N 1 0 485.466 5.774 1 0 JKAFRO CCNC(=O)Nc1nc2nc(NCCC[NH+](CC)CC)ncc2cc1-c1c(Cl)cccc1Cl ZINC000013862912 563003165 /nfs/dbraw/zinc/00/31/65/563003165.db2.gz UHTBPLNTPWPALO-UHFFFAOYSA-N 1 0 490.439 5.284 1 0 JKAFRO CCC[NH+](C/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)CCC ZINC000013863670 563003443 /nfs/dbraw/zinc/00/34/43/563003443.db2.gz BLCWDFQAJUMTGJ-RMKNXTFCSA-N 1 0 482.426 5.753 1 0 JKAFRO CCCCCC1(CCCCC)[NH2+][C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3cc(C)ccc3[nH]c21 ZINC000013863930 563003634 /nfs/dbraw/zinc/00/36/34/563003634.db2.gz UNVJHXJVNFPUCI-MHZLTWQESA-N 1 0 468.689 8.109 1 0 JKAFRO O[C@H](/C=C1\C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000013901729 563004394 /nfs/dbraw/zinc/00/43/94/563004394.db2.gz IICYPFHJKGRIGE-MZPPMKSDSA-N 1 0 463.543 6.592 1 0 JKAFRO O[C@@H](C[NH2+]CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2[nH]ccc21 ZINC000013912519 563004550 /nfs/dbraw/zinc/00/45/50/563004550.db2.gz WAUYXPFUCWJECI-SQJMNOBHSA-N 1 0 484.518 5.726 1 0 JKAFRO O[C@H](C[NH2+]CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2[nH]ccc21 ZINC000013912520 563004556 /nfs/dbraw/zinc/00/45/56/563004556.db2.gz WAUYXPFUCWJECI-PXDATVDWSA-N 1 0 484.518 5.726 1 0 JKAFRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc21 ZINC000013919596 563004706 /nfs/dbraw/zinc/00/47/06/563004706.db2.gz WWABBSQIRKPECQ-CQLNOVPUSA-N 1 0 492.563 5.679 1 0 JKAFRO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](C[C@H](C)c1cccc(Oc3ccccc3)c1)C2 ZINC000013980978 563005221 /nfs/dbraw/zinc/00/52/21/563005221.db2.gz GSWMEUVFODYSCE-UFORXREGSA-N 1 0 483.608 5.817 1 0 JKAFRO CCCOc1sc(C(=O)N2CCC(c3cc(C[NH3+])ccc3F)CC2)c(C)c1Br ZINC000013984324 563005411 /nfs/dbraw/zinc/00/54/11/563005411.db2.gz IFWLUOOAWLUBQN-UHFFFAOYSA-N 1 0 469.420 5.225 1 0 JKAFRO c1ccc2c(c1)nc1c(c2SCCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000014947272 563006910 /nfs/dbraw/zinc/00/69/10/563006910.db2.gz CIRIMMHDXBKVBG-UHFFFAOYSA-N 1 0 467.682 7.525 1 0 JKAFRO COc1cc(-c2ccc3c(c2)[nH]nc3-c2cc3cc(C[NH+]4CCCCC4)ccc3[nH]2)ccc1O ZINC000014949281 563007006 /nfs/dbraw/zinc/00/70/06/563007006.db2.gz CDMSQHCJYCHHAF-UHFFFAOYSA-N 1 0 452.558 6.078 1 0 JKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@H](CC3CC3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950770 563007131 /nfs/dbraw/zinc/00/71/31/563007131.db2.gz MNWGSJRYECRAHJ-QFIPXVFZSA-N 1 0 462.557 5.313 1 0 JKAFRO CC[C@H](C(=O)Nc1ccc(-n2cnc3ccccc32)cc1)c1csc2ccc(C(N)=[NH2+])cc21 ZINC000014950923 563007135 /nfs/dbraw/zinc/00/71/35/563007135.db2.gz UBYJNLCXFFBLPT-IBGZPJMESA-N 1 0 453.571 5.657 1 0 JKAFRO NC(=[NH2+])c1ccc2scc([C@H](Cc3ccccc3)C(=O)Nc3ccc4ncsc4c3)c2c1 ZINC000014950971 563007157 /nfs/dbraw/zinc/00/71/57/563007157.db2.gz WMOHPRLZMWOJBM-IBGZPJMESA-N 1 0 456.596 5.760 1 0 JKAFRO NC(=[NH2+])c1ccc2scc([C@@H](Cc3ccccc3)C(=O)Nc3ccc4ncsc4c3)c2c1 ZINC000014950967 563007161 /nfs/dbraw/zinc/00/71/61/563007161.db2.gz WMOHPRLZMWOJBM-LJQANCHMSA-N 1 0 456.596 5.760 1 0 JKAFRO [NH3+][C@H](COc1cncc(/C=C/c2ccnc(SCc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12 ZINC000014957768 563007930 /nfs/dbraw/zinc/00/79/30/563007930.db2.gz HHYCIRVOPHWGIH-BKRCECSGSA-N 1 0 492.648 6.369 1 0 JKAFRO Nc1ccc(-c2cncc(OC[C@@H]([NH3+])Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1cccc(Cl)c1 ZINC000014957545 563007935 /nfs/dbraw/zinc/00/79/35/563007935.db2.gz JMSLHIHVUFAAJQ-QHCPKHFHSA-N 1 0 496.998 5.645 1 0 JKAFRO [NH3+][C@H](COc1cncc(-c2ccc(NC(=O)Nc3ccccc3)nc2)c1)Cc1c[nH]c2ccccc12 ZINC000014957523 563007936 /nfs/dbraw/zinc/00/79/36/563007936.db2.gz UDZQOAWTKYWMCQ-QFIPXVFZSA-N 1 0 478.556 5.218 1 0 JKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000014959766 563008282 /nfs/dbraw/zinc/00/82/82/563008282.db2.gz BBOTYKYSYRSDPL-UHFFFAOYSA-N 1 0 477.008 5.601 1 0 JKAFRO O=C(NC1CN(c2cc[nH+]cc2)C1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959724 563008284 /nfs/dbraw/zinc/00/82/84/563008284.db2.gz OVIAMVWKKVORLD-UHFFFAOYSA-N 1 0 489.988 5.073 1 0 JKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)no2)CC1 ZINC000014959778 563008352 /nfs/dbraw/zinc/00/83/52/563008352.db2.gz VBPAXWNURRSMSW-UHFFFAOYSA-N 1 0 483.037 5.662 1 0 JKAFRO [NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(C(F)(F)F)c3c2)c1)Cc1c[nH]c2ccccc12 ZINC000014962160 563008456 /nfs/dbraw/zinc/00/84/56/563008456.db2.gz GIPRMCJMIWRNNH-KRWDZBQOSA-N 1 0 451.452 5.074 1 0 JKAFRO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4cccc(Br)c4)s2)[N@@H+]3C)cc1 ZINC000014978615 563010801 /nfs/dbraw/zinc/01/08/01/563010801.db2.gz PZHJZKURLFYNOX-GNXKAVGDSA-N 1 0 453.449 6.615 1 0 JKAFRO Cc1ccc(-c2csc(N3CC[NH+](CCCn4c5ccccc5nc4C(F)(F)F)CC3)n2)cc1 ZINC000015934842 563011865 /nfs/dbraw/zinc/01/18/65/563011865.db2.gz IRKVSQIGDKLTRW-UHFFFAOYSA-N 1 0 485.579 5.699 3 0 JKAFRO CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3ccc(OC)c(Br)c3)s2)cc1 ZINC000015936900 563012316 /nfs/dbraw/zinc/01/23/16/563012316.db2.gz CPQSMZAYSIJBKV-UHFFFAOYSA-N 1 0 467.412 6.164 3 0 JKAFRO Clc1ccc(CCN(CCc2ccc(Cl)c(Cl)c2)CC[NH+]2CCCC2)cc1Cl ZINC000019365724 563014976 /nfs/dbraw/zinc/01/49/76/563014976.db2.gz ZGUNRIDGYRQLSA-UHFFFAOYSA-N 1 0 460.276 6.483 1 0 JKAFRO FC(F)(F)c1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccn3-c3ccccn3)C2)c1 ZINC000020388555 563016151 /nfs/dbraw/zinc/01/61/51/563016151.db2.gz DVDNUYWLBNBRHO-IBGZPJMESA-N 1 0 451.496 5.661 1 0 JKAFRO FC(F)(F)c1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccn3-c3ccccn3)C2)c1 ZINC000020388549 563016157 /nfs/dbraw/zinc/01/61/57/563016157.db2.gz DVDNUYWLBNBRHO-LJQANCHMSA-N 1 0 451.496 5.661 1 0 JKAFRO Brc1ccc2[nH]cc([C@H]3C[NH2+][C@@H](c4c[nH]c5ccc(Br)cc54)CN3)c2c1 ZINC000022859384 563017219 /nfs/dbraw/zinc/01/72/19/563017219.db2.gz LLFCFVFHRMTXOG-WOJBJXKFSA-N 1 0 474.200 5.149 1 0 JKAFRO CCC[N@H+](CCN1CCN(c2cccc(Cl)c2Cl)CC1)[C@@H]1CCc2ccc(O)cc2C1 ZINC000022924464 563017338 /nfs/dbraw/zinc/01/73/38/563017338.db2.gz QUMJJLZEFJECGH-OAQYLSRUSA-N 1 0 462.465 5.091 1 0 JKAFRO Cn1c2ccc(CCCC[NH+]3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O ZINC000022924640 563017495 /nfs/dbraw/zinc/01/74/95/563017495.db2.gz BHVDELPYDQJPHR-UHFFFAOYSA-N 1 0 464.462 5.047 1 0 JKAFRO Fc1ccc([C@@H](OCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000022925604 563017631 /nfs/dbraw/zinc/01/76/31/563017631.db2.gz LKHJTNMKBCYRBQ-DHOYSUIYSA-N 1 0 465.012 5.916 1 0 JKAFRO O=C(CCCN1CC[NH+](CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000022925732 563017647 /nfs/dbraw/zinc/01/76/47/563017647.db2.gz HIUIQYGAJIUXAN-UHFFFAOYSA-N 1 0 455.646 5.250 1 0 JKAFRO Fc1ccc(/C=C/CN2CC[NH+](CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022925590 563017656 /nfs/dbraw/zinc/01/76/56/563017656.db2.gz LGEBSRLTDNIQDY-OWOJBTEDSA-N 1 0 466.547 5.541 1 0 JKAFRO COc1ccc2c(c1)CCC(C[NH+]1CCN(CCOC(c3ccccc3)c3ccccc3)CC1)=C2 ZINC000022927668 563017961 /nfs/dbraw/zinc/01/79/61/563017961.db2.gz ODWBMQLBTPCMQT-UHFFFAOYSA-N 1 0 468.641 5.449 1 0 JKAFRO Clc1ccc(-c2ccc(CN[C@H]3CC[N@H+](CC(c4ccccc4)c4ccccc4)C3)o2)cc1 ZINC000022932297 563018515 /nfs/dbraw/zinc/01/85/15/563018515.db2.gz ATGOCSGYJZJMMY-SANMLTNESA-N 1 0 457.017 6.596 1 0 JKAFRO Cc1ccc(O)c(NCCC[N@@H+]2CCCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000022934223 563018760 /nfs/dbraw/zinc/01/87/60/563018760.db2.gz ZUGSKSLEZRYICG-NDEPHWFRSA-N 1 0 464.053 5.953 1 0 JKAFRO Fc1ccc(C(OCCN2CC[NH+](Cc3cccc4ccccc43)CC2)c2ccc(F)cc2)cc1 ZINC000022938676 563019204 /nfs/dbraw/zinc/01/92/04/563019204.db2.gz OIZZRKWWQDVNRM-UHFFFAOYSA-N 1 0 472.579 6.042 1 0 JKAFRO Fc1ccc(C(OCCN2CC[NH+](CCc3cccc4ccccc43)CC2)c2ccc(F)cc2)cc1 ZINC000022938683 563019245 /nfs/dbraw/zinc/01/92/45/563019245.db2.gz PDIYHRCAHJQIGF-UHFFFAOYSA-N 1 0 486.606 6.084 1 0 JKAFRO Fc1ccc(C(OCCN2CC[NH+](Cc3cc4ccccc4s3)CC2)c2ccc(F)cc2)cc1 ZINC000022938619 563019268 /nfs/dbraw/zinc/01/92/68/563019268.db2.gz JGDQTUYVDMVTLR-UHFFFAOYSA-N 1 0 478.608 6.103 1 0 JKAFRO Oc1ccc(/C=C/CN2CC[NH+](CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022939408 563019375 /nfs/dbraw/zinc/01/93/75/563019375.db2.gz PLFIENBMRIJZNH-OWOJBTEDSA-N 1 0 464.556 5.107 1 0 JKAFRO Oc1ccccc1/C=C/CN1CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022939395 563019397 /nfs/dbraw/zinc/01/93/97/563019397.db2.gz LCGMVNDXDILPJF-HWKANZROSA-N 1 0 464.556 5.107 1 0 JKAFRO O=C(CCC[NH+]1CCN(C/C=C/c2ccccc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000022940088 563019464 /nfs/dbraw/zinc/01/94/64/563019464.db2.gz IRXNIDKGCMSOEL-RXLFLEQRSA-N 1 0 497.708 5.609 1 0 JKAFRO O=C(CCCN1CC[NH+](CCc2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000022940057 563019479 /nfs/dbraw/zinc/01/94/79/563019479.db2.gz UHWTXEQQJFGSFA-LUXHBGHRSA-N 1 0 491.745 5.397 1 0 JKAFRO COc1ccccc1CCC[NH+]1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022939447 563019516 /nfs/dbraw/zinc/01/95/16/563019516.db2.gz RRNSZEXFIKGQOP-UHFFFAOYSA-N 1 0 480.599 5.330 1 0 JKAFRO CCCCC[N@@H+]1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022939646 563019528 /nfs/dbraw/zinc/01/95/28/563019528.db2.gz DDCCNOAVZJCVOM-UAABGXCFSA-N 1 0 479.709 5.851 1 0 JKAFRO C[C@@H](Cc1ccccc1)C[NH+]1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023360826 563020040 /nfs/dbraw/zinc/02/00/40/563020040.db2.gz QUOVWZCNMCSUEF-QHCPKHFHSA-N 1 0 464.600 5.567 1 0 JKAFRO COc1ccc(CCC[NH+]2CCC(COC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000025999208 563021233 /nfs/dbraw/zinc/02/12/33/563021233.db2.gz LMZOSNWKXWBOSG-UHFFFAOYSA-N 1 0 498.494 7.453 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCc2ccc(NS(C)(=O)=O)nc2)c1 ZINC000026020156 563021935 /nfs/dbraw/zinc/02/19/35/563021935.db2.gz CXEVXATYJRKMGM-UHFFFAOYSA-N 1 0 490.673 5.373 1 0 JKAFRO COc1ccc(S(=O)(=O)N[C@H](C[NH2+][C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026152556 563022507 /nfs/dbraw/zinc/02/25/07/563022507.db2.gz KQDXAFJALGMWOX-URXFXBBRSA-N 1 0 474.626 5.089 1 0 JKAFRO COc1ccc(S(=O)(=O)N[C@@H](C[NH2+][C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026152563 563022542 /nfs/dbraw/zinc/02/25/42/563022542.db2.gz KQDXAFJALGMWOX-ZJSXRUAMSA-N 1 0 474.626 5.089 1 0 JKAFRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026158910 563022621 /nfs/dbraw/zinc/02/26/21/563022621.db2.gz HXWPVLFGOOFIJD-GBXCKJPGSA-N 1 0 479.045 5.734 1 0 JKAFRO C[C@H]([NH2+]C[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026158924 563022667 /nfs/dbraw/zinc/02/26/67/563022667.db2.gz HXWPVLFGOOFIJD-RDPSFJRHSA-N 1 0 479.045 5.734 1 0 JKAFRO CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCCc2ccccc2)cc1 ZINC000026183478 563023939 /nfs/dbraw/zinc/02/39/39/563023939.db2.gz YMEAXELZMGDHIH-MEKGRNQZSA-N 1 0 492.707 7.230 1 0 JKAFRO CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000026184305 563023951 /nfs/dbraw/zinc/02/39/51/563023951.db2.gz PSWNXCMQSMWLSU-UHFFFAOYSA-N 1 0 485.632 5.670 1 0 JKAFRO CCN(CCO)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026189864 563024314 /nfs/dbraw/zinc/02/43/14/563024314.db2.gz DZSSNPPKARQQAQ-QRRGNZNSSA-N 1 0 494.679 5.812 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccc(OC)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026189774 563024340 /nfs/dbraw/zinc/02/43/40/563024340.db2.gz LOAVCEADDMHICO-ISILISOKSA-N 1 0 480.652 6.116 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2c[nH]c3ccccc23)cc1 ZINC000026254355 563024539 /nfs/dbraw/zinc/02/45/39/563024539.db2.gz TVUYZZMARYWDLN-ISILISOKSA-N 1 0 489.663 6.589 1 0 JKAFRO CCCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026255000 563024590 /nfs/dbraw/zinc/02/45/90/563024590.db2.gz ZLXZTWYVUASCPD-RNPORBBMSA-N 1 0 464.653 6.498 1 0 JKAFRO Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@H]3C[C@@H]3C[NH+]3CCCC3)sc2c1 ZINC000026283095 563025536 /nfs/dbraw/zinc/02/55/36/563025536.db2.gz IYEPCCAQQAXNKF-SJORKVTESA-N 1 0 469.010 5.181 1 0 JKAFRO COc1ccc([S@](=O)c2ccc([C@H](C3CCCCC3)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1 ZINC000026380102 563026657 /nfs/dbraw/zinc/02/66/57/563026657.db2.gz CSHHMALNFJAJIB-QGRQJHSQSA-N 1 0 494.745 6.434 1 0 JKAFRO [NH3+]CCCCC[C@H](NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026381419 563026769 /nfs/dbraw/zinc/02/67/69/563026769.db2.gz GIFASKJAHARZOW-RUZDIDTESA-N 1 0 482.517 6.109 1 0 JKAFRO COc1cc(Cn2c(-c3ccc(OCCCCO)cc3)cc3ccccc32)ccc1C[NH+]1CCCC1 ZINC000026391531 563027148 /nfs/dbraw/zinc/02/71/48/563027148.db2.gz STLCUSUSKOKHCB-UHFFFAOYSA-N 1 0 484.640 6.112 1 0 JKAFRO CC(C)n1cnc2c1nc(N(CC[NH+](C)C)Cc1ccccc1)nc2Nc1cccc(Cl)c1 ZINC000026469194 563027837 /nfs/dbraw/zinc/02/78/37/563027837.db2.gz NZKHLCGGXIVSCV-UHFFFAOYSA-N 1 0 464.017 5.372 1 0 JKAFRO NC(=O)c1ccc2c(c1)CCO[C@@H]2CC[N@H+]1CC=C(c2c[nH]c3c2ccc(Cl)c3Cl)CC1 ZINC000026500544 563029100 /nfs/dbraw/zinc/02/91/00/563029100.db2.gz MQVUUDPTRYMPLY-JOCHJYFZSA-N 1 0 470.400 5.367 1 0 JKAFRO Cc1ccccc1[C@H](c1ccccc1)[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026506922 563029483 /nfs/dbraw/zinc/02/94/83/563029483.db2.gz NQRYZWXYAFHRHX-MHZLTWQESA-N 1 0 460.585 5.036 1 0 JKAFRO Cc1ccsc1[C@@H](c1ccccc1C)[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026567112 563029636 /nfs/dbraw/zinc/02/96/36/563029636.db2.gz WZOPZZHCALZOMQ-RUZDIDTESA-N 1 0 480.641 5.405 1 0 JKAFRO Oc1ccc2c(c1)S[C@H](CC1CCCC1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026571855 563030025 /nfs/dbraw/zinc/03/00/25/563030025.db2.gz LYGFMXPMAQKVFA-SXOMAYOGSA-N 1 0 453.648 6.432 1 0 JKAFRO CCc1c(-c2ccc(OCC[NH+]3CCCCC3)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(O)cc1 ZINC000026573167 563030120 /nfs/dbraw/zinc/03/01/20/563030120.db2.gz SMYDPKRFVHAWET-UHFFFAOYSA-N 1 0 483.608 7.119 1 0 JKAFRO Oc1ccc2c(c1)S[C@H](c1cccs1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026574949 563030294 /nfs/dbraw/zinc/03/02/94/563030294.db2.gz UTNNZWWKLIJITH-LOSJGSFVSA-N 1 0 453.629 6.286 1 0 JKAFRO [NH3+]CCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc32)nc2c(Cl)c(Cl)ccc12 ZINC000026579146 563031209 /nfs/dbraw/zinc/03/12/09/563031209.db2.gz KRILGJMDMMLIDW-UHFFFAOYSA-N 1 0 478.177 5.141 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026641067 563031606 /nfs/dbraw/zinc/03/16/06/563031606.db2.gz VHBRZABEWHYCMY-SANMLTNESA-N 1 0 476.686 5.436 1 0 JKAFRO CN(CC[C@H](C[NH+]1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026647846 563031959 /nfs/dbraw/zinc/03/19/59/563031959.db2.gz ZJDNWOLOLRKWJY-HHHXNRCGSA-N 1 0 462.659 5.361 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2nc(N)sc2C1 ZINC000026649559 563031964 /nfs/dbraw/zinc/03/19/64/563031964.db2.gz YDIIMEYIGWYMMA-QHCPKHFHSA-N 1 0 462.663 5.172 1 0 JKAFRO CCc1c(O)ccc2c1O[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)[C@H](c1ccc(O)cc1)S2 ZINC000026651710 563032176 /nfs/dbraw/zinc/03/21/76/563032176.db2.gz ZWNVQZODHBWMRE-PXJZQJOASA-N 1 0 491.653 6.492 1 0 JKAFRO CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000026652942 563032278 /nfs/dbraw/zinc/03/22/78/563032278.db2.gz CJSNSSCOSAUHJH-OIMINJBOSA-N 1 0 452.683 5.331 1 0 JKAFRO Oc1ccc2c(c1)S[C@@H](c1ccc(F)cc1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026657066 563032482 /nfs/dbraw/zinc/03/24/82/563032482.db2.gz PXQIHYPEOSFFBY-SVBPBHIXSA-N 1 0 465.590 6.363 1 0 JKAFRO Oc1ccc2c(c1)S[C@@H](c1ccc(F)cc1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026657071 563032518 /nfs/dbraw/zinc/03/25/18/563032518.db2.gz PXQIHYPEOSFFBY-SXOMAYOGSA-N 1 0 465.590 6.363 1 0 JKAFRO COc1ccc([C@@H]2Sc3cc(O)ccc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026660988 563032695 /nfs/dbraw/zinc/03/26/95/563032695.db2.gz DVAHOHVVLYMDAM-IZLXSDGUSA-N 1 0 477.626 6.233 1 0 JKAFRO CC[NH+](CC)Cc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026671495 563033326 /nfs/dbraw/zinc/03/33/26/563033326.db2.gz BWBVBRWUSUPAGL-UHFFFAOYSA-N 1 0 480.056 5.898 1 0 JKAFRO O=C(CN1CCCCC1)Nc1cc(C[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026675551 563033551 /nfs/dbraw/zinc/03/35/51/563033551.db2.gz VWBCXSGNKRGGGI-UHFFFAOYSA-N 1 0 492.067 6.042 1 0 JKAFRO COc1cccc2c1CC[C@@H]1[C@@H]2CCC[N@@H+]1CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026721499 563033898 /nfs/dbraw/zinc/03/38/98/563033898.db2.gz XXNSAFMKWRWIBC-XRKRLSELSA-N 1 0 468.641 6.067 1 0 JKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3CC[NH2+][C@@H](C)C3)c2c1 ZINC000026725908 563033979 /nfs/dbraw/zinc/03/39/79/563033979.db2.gz XYJTURUCNQJUDF-AWEZNQCLSA-N 1 0 487.050 5.010 1 0 JKAFRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2[nH]nc3cccc(OCc4ccc(Cl)c(Cl)c4)c32)C1 ZINC000026727640 563034050 /nfs/dbraw/zinc/03/40/50/563034050.db2.gz OAYAVSHLOXDZCU-HZPDHXFCSA-N 1 0 462.377 5.270 1 0 JKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3CC[NH2+][C@H](C)C3)c2c1 ZINC000026728823 563034165 /nfs/dbraw/zinc/03/41/65/563034165.db2.gz XYJTURUCNQJUDF-CQSZACIVSA-N 1 0 487.050 5.010 1 0 JKAFRO COc1ccc(-c2nc3cc(-c4nc5cc(OC6CC[NH+](C)CC6)ccc5[nH]4)ccc3[nH]2)cc1 ZINC000026733789 563034341 /nfs/dbraw/zinc/03/43/41/563034341.db2.gz DERGJMRLPWALAH-UHFFFAOYSA-N 1 0 453.546 5.255 1 0 JKAFRO Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(cccc5-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026740098 563034627 /nfs/dbraw/zinc/03/46/27/563034627.db2.gz PKDUVBIPSGHDLQ-BESSAKRQSA-N 1 0 490.603 5.240 1 0 JKAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2c3ccccc3ccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000026749247 563035175 /nfs/dbraw/zinc/03/51/75/563035175.db2.gz ZHHOSLRDOYVCAT-MUUNZHRXSA-N 1 0 491.635 5.598 1 0 JKAFRO COc1ccc(C[C@@H]2C[C@@H]([NH2+]Cc3ccnc4ccccc34)CCN2C(=O)c2cc(C)cc(C)c2)cc1 ZINC000026834254 563036438 /nfs/dbraw/zinc/03/64/38/563036438.db2.gz FJKPUNUCNIPOHX-WUFINQPMSA-N 1 0 493.651 5.866 1 0 JKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)noc2CCc2ccc3ccccc3c2)C1C(=O)OCC ZINC000026834175 563036455 /nfs/dbraw/zinc/03/64/55/563036455.db2.gz UGDTYNSGMQYKGM-RXDXAXPSSA-N 1 0 488.584 6.123 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccnc4ccccc34)C[C@@H]2[C@@H](C)c2ccccc2)c1 ZINC000027104113 563040159 /nfs/dbraw/zinc/04/01/59/563040159.db2.gz KDLUBXVKFJCDHI-JPXCPFJNSA-N 1 0 477.652 6.418 1 0 JKAFRO FC(F)(F)c1cccc(-c2nc(C3CC[NH2+]CC3)cn2-c2ccnc(NC3CCCCC3)n2)c1 ZINC000027108825 563040554 /nfs/dbraw/zinc/04/05/54/563040554.db2.gz XEBPLBIKMQIKAW-UHFFFAOYSA-N 1 0 470.543 5.560 1 0 JKAFRO C[C@H](Nc1cc(-c2oc(C3(O)CC[NH+](C)CC3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000027109136 563040683 /nfs/dbraw/zinc/04/06/83/563040683.db2.gz VCCLRUPEBNQCKO-IBGZPJMESA-N 1 0 472.564 5.629 1 0 JKAFRO CCCC[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@H+](CCCc3ccccc3)C2)C1=O ZINC000027200385 563041407 /nfs/dbraw/zinc/04/14/07/563041407.db2.gz GFGPODGJDNBPHR-DQEYMECFSA-N 1 0 490.644 5.258 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(COCC[NH+]3CCCCC3)cc2)cc1 ZINC000027206629 563041688 /nfs/dbraw/zinc/04/16/88/563041688.db2.gz GPLOFIHKLFTQMK-WUFINQPMSA-N 1 0 477.626 6.067 1 0 JKAFRO COc1ccc(C[C@@H]2CN3C(=[NH+]C[C@H]3C3CCCCC3)N2[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027209829 563041880 /nfs/dbraw/zinc/04/18/80/563041880.db2.gz CZTBHIMDQIEDMY-MXSFLMTPSA-N 1 0 475.721 6.147 1 0 JKAFRO Oc1cccc([C@H]2Sc3cc(O)ccc3S[C@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000027210556 563041918 /nfs/dbraw/zinc/04/19/18/563041918.db2.gz BBLGBSSQOMHADP-RRPNLBNLSA-N 1 0 479.667 6.643 1 0 JKAFRO COc1ccc(C[C@H]2CN3C(=[NH+]C[C@H]3C3CCCCC3)N2[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027211153 563042000 /nfs/dbraw/zinc/04/20/00/563042000.db2.gz CZTBHIMDQIEDMY-YCSXKUPRSA-N 1 0 475.721 6.147 1 0 JKAFRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCCCN1c2ccccc2O[C@H](c2ccc(C(N)=S)cc2)C1=O ZINC000027326129 563042965 /nfs/dbraw/zinc/04/29/65/563042965.db2.gz SDOFBTJUFAJAEL-UMEGOILYSA-N 1 0 465.663 5.221 1 0 JKAFRO COc1ccc([C@@H]2Oc3ccccc3N(CCCCC[NH+]3[C@@H](C)CCC[C@@H]3C)C2=O)cc1OC ZINC000027328220 563043080 /nfs/dbraw/zinc/04/30/80/563043080.db2.gz PSVFYAULYCIMIN-IZVMNLJQSA-N 1 0 466.622 5.604 1 0 JKAFRO O=C1c2ccccc2C(=O)N1CCCCCCC[N@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000027330886 563043167 /nfs/dbraw/zinc/04/31/67/563043167.db2.gz PJYMXWDDSLXHGG-UHFFFAOYSA-N 1 0 459.565 5.643 1 0 JKAFRO CC[NH+](CC)Cc1cc(Nc2ccnc3cc(Cl)ccc32)cc(-c2ccc(Cl)cc2)c1F ZINC000027520379 563044855 /nfs/dbraw/zinc/04/48/55/563044855.db2.gz WEHQJZRMAQYDOP-UHFFFAOYSA-N 1 0 468.403 7.933 1 0 JKAFRO O[C@@H](c1cc(-c2cccc(C(F)(F)F)c2)nc2c1cccc2C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000027523674 563045280 /nfs/dbraw/zinc/04/52/80/563045280.db2.gz FJCHTACKGSXILE-RXVVDRJESA-N 1 0 454.414 6.115 1 0 JKAFRO FC(F)(F)c1ccc(CO[C@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1 ZINC000027525377 563045487 /nfs/dbraw/zinc/04/54/87/563045487.db2.gz GBGJHGBFMCNNKU-SXOMAYOGSA-N 1 0 451.532 6.517 1 0 JKAFRO Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CC[NH+](CCCC(N)=O)CC1 ZINC000027526306 563045584 /nfs/dbraw/zinc/04/55/84/563045584.db2.gz XYKCLJBWJSYNCM-UHFFFAOYSA-N 1 0 483.056 5.335 1 0 JKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000027526439 563045617 /nfs/dbraw/zinc/04/56/17/563045617.db2.gz VQDQYRCYSZGICA-QHCPKHFHSA-N 1 0 463.474 5.858 1 0 JKAFRO C[C@@H](Oc1ccc(Cl)cc1Cl)c1sc2ccccc2c1CCN1CCC([NH+](C)C)CC1 ZINC000027547587 563045761 /nfs/dbraw/zinc/04/57/61/563045761.db2.gz GWEOLVZRSLFSNU-QGZVFWFLSA-N 1 0 477.501 6.917 1 0 JKAFRO c1ccc(Oc2cccc(CO[C@H]3C4CC[NH+](CC4)[C@H]3C(c3ccccc3)c3ccccc3)c2)cc1 ZINC000027527312 563045791 /nfs/dbraw/zinc/04/57/91/563045791.db2.gz OKIXEUMIQOKHID-LQJZCPKCSA-N 1 0 475.632 7.290 1 0 JKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2COc2ccc(Br)cc2)CC1 ZINC000027552276 563046057 /nfs/dbraw/zinc/04/60/57/563046057.db2.gz BTWNZYQCFVVOLW-UHFFFAOYSA-N 1 0 473.480 5.811 1 0 JKAFRO O=C(c1ccc(F)cc1)C1CC[NH+](CCS[C@H]2Cc3ccccc3Oc3ccccc32)CC1 ZINC000027554731 563046264 /nfs/dbraw/zinc/04/62/64/563046264.db2.gz DGQLJIIOAAELJV-MHZLTWQESA-N 1 0 461.602 6.543 1 0 JKAFRO C[C@@H]1C[N@H+](C[C@@H](NC(=O)CCc2ccc(O)cc2)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 ZINC000027564595 563047077 /nfs/dbraw/zinc/04/70/77/563047077.db2.gz DUXFPSHFWAWGFG-VUGZHAMKSA-N 1 0 478.677 5.395 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccccc1OCC[NH+]1CCCC1 ZINC000027653706 563048923 /nfs/dbraw/zinc/04/89/23/563048923.db2.gz FICHCAISVCBNQX-FQLXRVMXSA-N 1 0 457.614 6.257 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccc(OCC[NH+]3CCCC3)cc1)[C@@H]2c1ccccc1 ZINC000027654637 563049057 /nfs/dbraw/zinc/04/90/57/563049057.db2.gz RFZHECCLLAJHFT-WDYNHAJCSA-N 1 0 457.614 6.257 1 0 JKAFRO Cc1cc(/C=C/C(=O)NCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cnc1C ZINC000027656051 563049137 /nfs/dbraw/zinc/04/91/37/563049137.db2.gz ODHAFWRKVGFZNA-FOCLMDBBSA-N 1 0 482.672 5.015 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000027656119 563049168 /nfs/dbraw/zinc/04/91/68/563049168.db2.gz LLVVLLGAUGKPHK-IHLOFXLRSA-N 1 0 471.641 6.647 1 0 JKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](CCCN(c2ccc(F)cc2)c2ccccc2F)CC1 ZINC000027710414 563049719 /nfs/dbraw/zinc/04/97/19/563049719.db2.gz GITKEAXJESWXIA-UHFFFAOYSA-N 1 0 462.544 5.473 1 0 JKAFRO O=C(c1ccc(Cl)cc1)C1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027711587 563049827 /nfs/dbraw/zinc/04/98/27/563049827.db2.gz SQTAFGFBVUUEPI-UHFFFAOYSA-N 1 0 468.975 6.741 1 0 JKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)C(C2=CC=CN(C(=O)OC(C)(C)C)C2)C1C(=O)OC(C)C ZINC000027721615 563050276 /nfs/dbraw/zinc/05/02/76/563050276.db2.gz RPSIQWLOSIBGIM-OBVHCKHUSA-N 1 0 460.571 5.188 1 0 JKAFRO COc1cc2c(cc1OC)[C@H](CC[NH+]1CCN(c3ccc(Cl)cc3)CC1)OCC(C)(C)C2 ZINC000027735260 563050851 /nfs/dbraw/zinc/05/08/51/563050851.db2.gz GRALYAHEKUITCC-QHCPKHFHSA-N 1 0 459.030 5.210 1 0 JKAFRO c1ccc(CCCC2CC[NH+](C[C@@H]3[C@@H](c4ccccc4)CN4OC5(C[C@@H]34)CCCCC5)CC2)cc1 ZINC000027735241 563050879 /nfs/dbraw/zinc/05/08/79/563050879.db2.gz QTGXMSVHAZOWFY-OLUZHXLYSA-N 1 0 472.717 6.844 1 0 JKAFRO Clc1cc2nc(C3CC[NH2+]CC3)n(Cc3cccc(I)c3)c2cc1Cl ZINC000027752935 563051252 /nfs/dbraw/zinc/05/12/52/563051252.db2.gz ZFQYDWYMVOTKNZ-UHFFFAOYSA-N 1 0 486.184 5.463 1 0 JKAFRO O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1C1CC[NH+](CCc2ccccc2)CC1 ZINC000027764161 563051535 /nfs/dbraw/zinc/05/15/35/563051535.db2.gz QXGWUKCNBDTGGB-UHFFFAOYSA-N 1 0 458.005 5.231 1 0 JKAFRO S=C(NN1CC=C(c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)CC1)c1ccc(Cl)cc1 ZINC000027851464 563051878 /nfs/dbraw/zinc/05/18/78/563051878.db2.gz AXEVTXYFZSFYFE-UHFFFAOYSA-N 1 0 465.066 5.429 1 0 JKAFRO COc1cccc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000027854371 563051953 /nfs/dbraw/zinc/05/19/53/563051953.db2.gz WKWQEAYRIWSOKD-DHLKQENFSA-N 1 0 461.433 5.545 1 0 JKAFRO Fc1ccc(C(CCC[NH+]2CCC(c3noc4cc(Cl)ccc43)CC2)c2ccc(F)cc2)cc1 ZINC000027861959 563052171 /nfs/dbraw/zinc/05/21/71/563052171.db2.gz GKTMVVRSCPJIIC-UHFFFAOYSA-N 1 0 480.986 7.551 1 0 JKAFRO CN(C)S(=O)(=O)c1ccc2c(c1)N(CCC[N@H+](C)CCCc1ccccc1)c1ccccc1S2 ZINC000027868327 563052424 /nfs/dbraw/zinc/05/24/24/563052424.db2.gz ZGYRMPDGBICYGN-UHFFFAOYSA-N 1 0 495.714 5.494 1 0 JKAFRO [NH3+]CCCCCNC(=O)Cn1c(=O)c2cc(-c3ccccc3)ccc2nc1-c1ccc2ccccc2c1 ZINC000027884587 563052848 /nfs/dbraw/zinc/05/28/48/563052848.db2.gz DWYCKLLEIXKYOY-UHFFFAOYSA-N 1 0 490.607 5.129 1 0 JKAFRO COc1cc2c(cc1OC)C(C)(C)CO[C@H]2CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000027900133 563053259 /nfs/dbraw/zinc/05/32/59/563053259.db2.gz KRTLVNHHWJVSMS-QFIPXVFZSA-N 1 0 478.555 5.284 1 0 JKAFRO CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH+]1CCCCCCC1 ZINC000027987528 563053789 /nfs/dbraw/zinc/05/37/89/563053789.db2.gz LMGIZTXXHFSYLR-WOJBJXKFSA-N 1 0 461.861 6.061 1 0 JKAFRO COc1ccc(OCCCC[N@H+](C)C2CCCCC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000027995897 563054094 /nfs/dbraw/zinc/05/40/94/563054094.db2.gz BNMBYIVXXAQVRH-HHHXNRCGSA-N 1 0 468.663 6.276 1 0 JKAFRO COC(=O)c1ccc2c(c1)sc(-c1ccccc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000027994298 563054123 /nfs/dbraw/zinc/05/41/23/563054123.db2.gz WBDPHWBGJQIYDK-UHFFFAOYSA-N 1 0 499.632 6.451 1 0 JKAFRO CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[NH2+][C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000028003644 563054409 /nfs/dbraw/zinc/05/44/09/563054409.db2.gz KTVWVGWMTMHWJY-RYQLFMHWSA-N 1 0 455.771 7.389 1 0 JKAFRO CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000028003954 563054422 /nfs/dbraw/zinc/05/44/22/563054422.db2.gz ZHZIGDWYGQLFEQ-UHFFFAOYSA-N 1 0 457.619 5.346 1 0 JKAFRO CCC(=O)N1c2ccccc2S[C@H]1c1cc(OC)ccc1OCCCCC[N@H+](C)C1CCCCC1 ZINC000028019250 563055158 /nfs/dbraw/zinc/05/51/58/563055158.db2.gz YXHMVUPATIVLEB-LJAQVGFWSA-N 1 0 496.717 7.056 1 0 JKAFRO O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C[n+]2ccccc2)cc1 ZINC000028092749 563055705 /nfs/dbraw/zinc/05/57/05/563055705.db2.gz URJLCNVNSLJDKB-UHFFFAOYSA-O 1 0 478.359 5.229 1 0 JKAFRO O=C(NCC1(c2ccc(-c3cccnc3)cc2)CC[NH2+]CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000028108848 563056395 /nfs/dbraw/zinc/05/63/95/563056395.db2.gz LRJDGIGFZKJDPI-UHFFFAOYSA-N 1 0 455.389 5.498 1 0 JKAFRO Nc1nc(-c2cccc(C[NH+]3CCC(c4ccc(F)cc4)CC3)c2)cc2nc(-c3ccco3)nn21 ZINC000028115944 563056568 /nfs/dbraw/zinc/05/65/68/563056568.db2.gz VKPDXSINQQPTFB-UHFFFAOYSA-N 1 0 468.536 5.152 1 0 JKAFRO CC(C)[NH+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)C(C)C ZINC000028130494 563057320 /nfs/dbraw/zinc/05/73/20/563057320.db2.gz KGQWMORLWCQNGT-UHFFFAOYSA-N 1 0 460.780 7.485 1 0 JKAFRO CC[N@H+](CCC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028133504 563057499 /nfs/dbraw/zinc/05/74/99/563057499.db2.gz CRXIGTKSHIKVLO-UHFFFAOYSA-N 1 0 472.791 7.488 1 0 JKAFRO CCN(CC[NH+](C)C)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028133812 563057502 /nfs/dbraw/zinc/05/75/02/563057502.db2.gz XWGZRLMMOAWCPK-UHFFFAOYSA-N 1 0 475.795 6.249 1 0 JKAFRO CCCC[N@H+](CC)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028133761 563057517 /nfs/dbraw/zinc/05/75/17/563057517.db2.gz PZFTYXHCSXUODF-UHFFFAOYSA-N 1 0 460.780 7.488 1 0 JKAFRO Cc1ccc(Cl)c(O[C@@H]([C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C2CCCCC2)c1 ZINC000028137893 563057666 /nfs/dbraw/zinc/05/76/66/563057666.db2.gz WUADNUGCSVGPSQ-AHKZPQOWSA-N 1 0 498.067 5.317 1 0 JKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCCOCc1ccccc1 ZINC000028218025 563057811 /nfs/dbraw/zinc/05/78/11/563057811.db2.gz AAKOACKLHIJRAN-QHCPKHFHSA-N 1 0 479.665 6.247 1 0 JKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1 ZINC000028224589 563058022 /nfs/dbraw/zinc/05/80/22/563058022.db2.gz NSPDLBYWTUWWDX-NDEPHWFRSA-N 1 0 470.484 8.263 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(-c3cccc(C[NH3+])c3)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028228666 563058166 /nfs/dbraw/zinc/05/81/66/563058166.db2.gz MAWXMNVESPACAF-UHFFFAOYSA-N 1 0 466.972 6.365 1 0 JKAFRO Clc1cc2nc(C3CC[NH2+]CC3)n(CCCCSc3ncnc4[nH]cnc43)c2cc1Cl ZINC000028228733 563058184 /nfs/dbraw/zinc/05/81/84/563058184.db2.gz VXJGOSWSBFGRFE-UHFFFAOYSA-N 1 0 476.437 5.049 1 0 JKAFRO O=C1/C(=C\c2ccc(Cl)cc2)c2ccccc2N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000028232645 563058381 /nfs/dbraw/zinc/05/83/81/563058381.db2.gz FPIITTSILJWFFP-XHPQRKPJSA-N 1 0 492.450 6.093 1 0 JKAFRO COc1ccc(/C=C2/c3ccccc3N(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000028239233 563058644 /nfs/dbraw/zinc/05/86/44/563058644.db2.gz RMNIFYDDXMZEBG-OOAXWGSJSA-N 1 0 488.031 5.448 1 0 JKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CC[NH+](CCC4CCCC4)CC3)cc21 ZINC000028245433 563058828 /nfs/dbraw/zinc/05/88/28/563058828.db2.gz JKRGNGFKHLMMMZ-SDNWHVSQSA-N 1 0 485.672 5.687 1 0 JKAFRO CC(=O)N1CCc2ccc(N(C/C=C/c3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028244976 563058858 /nfs/dbraw/zinc/05/88/58/563058858.db2.gz MLLLFLGHHBZUNH-MDWZMJQESA-N 1 0 465.641 5.780 1 0 JKAFRO CC[C@@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)[NH+]1CCCC1 ZINC000028336697 563060013 /nfs/dbraw/zinc/06/00/13/563060013.db2.gz UOZGUWHPVZIRDP-YNOBPPCASA-N 1 0 477.626 6.318 1 0 JKAFRO Cc1ccc(Cl)c(O[C@H](c2ccccc2)[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000028347726 563060817 /nfs/dbraw/zinc/06/08/17/563060817.db2.gz DDUYHDSZXXYGIS-AHKZPQOWSA-N 1 0 492.019 5.110 1 0 JKAFRO Cc1ccc(Cl)c(O[C@@H](c2ccccc2)[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000028347729 563060842 /nfs/dbraw/zinc/06/08/42/563060842.db2.gz DDUYHDSZXXYGIS-BDYUSTAISA-N 1 0 492.019 5.110 1 0 JKAFRO COC(=O)c1ccc(CC(=O)N(C)C2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028347638 563060849 /nfs/dbraw/zinc/06/08/49/563060849.db2.gz DNKDGXQNAHLZOH-UHFFFAOYSA-N 1 0 484.640 5.161 1 0 JKAFRO CC(C)[C@@H](CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)Oc1ccccc1C(F)(F)F ZINC000028347704 563060858 /nfs/dbraw/zinc/06/08/58/563060858.db2.gz YZMDJCYFVDZWAD-JOCHJYFZSA-N 1 0 461.528 5.479 1 0 JKAFRO COc1ccc(CC(=O)N(C)C2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000028351761 563061154 /nfs/dbraw/zinc/06/11/54/563061154.db2.gz TZMIRXLCTZAZRD-UHFFFAOYSA-N 1 0 486.656 5.391 1 0 JKAFRO CC(C)[C@@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)[NH+]1CCCC1 ZINC000028352332 563061197 /nfs/dbraw/zinc/06/11/97/563061197.db2.gz KRKRBIVNILCKBI-QUFBTCJSSA-N 1 0 491.653 6.564 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCC[NH+]3CCCC3)cc2)cc1 ZINC000028353733 563061204 /nfs/dbraw/zinc/06/12/04/563061204.db2.gz SHANKUTWRXLKIV-RRPNLBNLSA-N 1 0 463.599 5.930 1 0 JKAFRO Cc1ccc(Cl)c(O[C@@H](CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccccc2)c1 ZINC000028357340 563061503 /nfs/dbraw/zinc/06/15/03/563061503.db2.gz KIMJEJSRLGDDLS-SANMLTNESA-N 1 0 476.020 6.139 1 0 JKAFRO CC(=O)Nc1ccc(CC(=O)N(C)C2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028357393 563061528 /nfs/dbraw/zinc/06/15/28/563061528.db2.gz HYIPAFGYQGEMML-UHFFFAOYSA-N 1 0 483.656 5.333 1 0 JKAFRO Cc1ccc(Cl)c(O[C@H](CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccccc2)c1 ZINC000028357348 563061551 /nfs/dbraw/zinc/06/15/51/563061551.db2.gz KIMJEJSRLGDDLS-AREMUKBSSA-N 1 0 476.020 6.139 1 0 JKAFRO COc1cc(CN(CCc2ccccn2)C(=O)C[NH2+]Cc2ccccc2)ccc1OCc1ccccc1 ZINC000028364153 563061869 /nfs/dbraw/zinc/06/18/69/563061869.db2.gz PBVSNOWHJSLBFM-UHFFFAOYSA-N 1 0 495.623 5.030 1 0 JKAFRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000028365764 563061952 /nfs/dbraw/zinc/06/19/52/563061952.db2.gz PDQMROYIXJRXGV-QFIPXVFZSA-N 1 0 488.588 5.346 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[N@@H+]3CC[C@@H]4C[C@@H]43)cc2)cc1 ZINC000028365103 563061975 /nfs/dbraw/zinc/06/19/75/563061975.db2.gz ISNMOIVTZCAIGR-PFLPKTOKSA-N 1 0 461.583 5.538 1 0 JKAFRO CN(C)c1cccc(N2CCc3cc(O)ccc3[C@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000028365904 563062026 /nfs/dbraw/zinc/06/20/26/563062026.db2.gz DBALQCXJSKOKLW-SSEXGKCCSA-N 1 0 471.645 5.475 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@H](c2ccc([C@@H](O)CC[NH+]3CCCCC3)cc2)c2ccc(O)cc2C1 ZINC000028370702 563062324 /nfs/dbraw/zinc/06/23/24/563062324.db2.gz JCPGSSZRKQLWNX-LITSAYRRSA-N 1 0 485.649 6.306 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@@H](c2ccc([C@H](O)CC[NH+]3CCCCC3)cc2)c2ccccc2C1 ZINC000028371416 563062392 /nfs/dbraw/zinc/06/23/92/563062392.db2.gz VAYMOEILCNGWNC-UHSQPCAPSA-N 1 0 469.650 6.601 1 0 JKAFRO O=C1OC2(CCC([NH+]3CCC(Cc4ccccc4C(F)(F)F)CC3)CC2)c2ccc3c(c21)OCO3 ZINC000028373823 563062526 /nfs/dbraw/zinc/06/25/26/563062526.db2.gz RRFURIBDRXRPMX-UHFFFAOYSA-N 1 0 487.518 5.697 1 0 JKAFRO O=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1)Nc1ccc(Cl)cc1 ZINC000028374084 563062541 /nfs/dbraw/zinc/06/25/41/563062541.db2.gz IZFCLIHFMJVJBC-UHFFFAOYSA-N 1 0 475.612 5.166 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@H](c2ccc([C@H](O)CC[NH+]3CCCCC3)cc2)c2cc(O)ccc2C1 ZINC000028375567 563062594 /nfs/dbraw/zinc/06/25/94/563062594.db2.gz XMVZTBZRGWZAOZ-GGXMVOPNSA-N 1 0 485.649 6.306 1 0 JKAFRO O=C1OC2(CCC([NH+]3CCC(Cc4cc(Cl)ccc4Cl)CC3)CC2)c2ccc3c(c21)OCO3 ZINC000028380137 563062932 /nfs/dbraw/zinc/06/29/32/563062932.db2.gz MKJOWPLWWCIIJW-UHFFFAOYSA-N 1 0 488.411 5.985 1 0 JKAFRO CCNC(=O)c1ccc(C(c2c(C)cccc2C)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028383106 563063023 /nfs/dbraw/zinc/06/30/23/563063023.db2.gz QFLVUJQVAZYXOD-MKPDMIMOSA-N 1 0 454.614 6.275 1 0 JKAFRO O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@H](O)C[NH+]1CCCC1 ZINC000028383695 563063109 /nfs/dbraw/zinc/06/31/09/563063109.db2.gz TWQGXDKLEAMHRD-OAHLLOKOSA-N 1 0 498.954 5.122 1 0 JKAFRO O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@@H](O)C[NH+]1CCCC1 ZINC000028383701 563063119 /nfs/dbraw/zinc/06/31/19/563063119.db2.gz TWQGXDKLEAMHRD-HNNXBMFYSA-N 1 0 498.954 5.122 1 0 JKAFRO COC(=O)C(CC[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 ZINC000028384255 563063124 /nfs/dbraw/zinc/06/31/24/563063124.db2.gz KQVIWUMYUUQBQN-UHFFFAOYSA-N 1 0 497.557 5.538 1 0 JKAFRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2noc(-c3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000028390055 563063527 /nfs/dbraw/zinc/06/35/27/563063527.db2.gz JOVZTLZGIDTJFC-QHCPKHFHSA-N 1 0 468.557 5.410 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc4ccccc43)C[C@H]2Cc2ccccc2)c1 ZINC000028396329 563063875 /nfs/dbraw/zinc/06/38/75/563063875.db2.gz XQCZPAUCNTZZCI-LOYHVIPDSA-N 1 0 462.637 6.462 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc4ccccc43)C[C@@H]2Cc2ccccc2)c1 ZINC000028396320 563063906 /nfs/dbraw/zinc/06/39/06/563063906.db2.gz XQCZPAUCNTZZCI-IHLOFXLRSA-N 1 0 462.637 6.462 1 0 JKAFRO CCNC(=O)c1ccc(C(c2cccc(NC(C)=O)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccn2)cc1 ZINC000028397469 563063931 /nfs/dbraw/zinc/06/39/31/563063931.db2.gz WTSVMKINKCBNSQ-ISILISOKSA-N 1 0 494.639 5.419 1 0 JKAFRO [NH3+]Cc1ccc(F)c(C2CCN(C(=O)c3cccc(-c4nc(-c5cccs5)no4)c3)CC2)c1 ZINC000028457413 563064188 /nfs/dbraw/zinc/06/41/88/563064188.db2.gz YFBRXKLPGVWRRC-UHFFFAOYSA-N 1 0 462.550 5.083 1 0 JKAFRO Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000028465160 563064985 /nfs/dbraw/zinc/06/49/85/563064985.db2.gz UBDILVCTGRHAIK-NRFANRHFSA-N 1 0 474.476 5.408 1 0 JKAFRO CC(C)(C)c1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028520507 563066209 /nfs/dbraw/zinc/06/62/09/563066209.db2.gz PJVDPUISQGQTMX-HHHXNRCGSA-N 1 0 480.672 5.936 1 0 JKAFRO Cc1ccc(NC(=O)NC[C@@H](CC(C)C)[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000028522428 563066528 /nfs/dbraw/zinc/06/65/28/563066528.db2.gz GZODQAPLJTZKMB-OAQYLSRUSA-N 1 0 463.453 5.660 1 0 JKAFRO C[NH+]1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5cscn5)c(Cl)c4)c32)CC1 ZINC000028522518 563066631 /nfs/dbraw/zinc/06/66/31/563066631.db2.gz HBTRDSONVLGOKS-UHFFFAOYSA-N 1 0 482.009 5.535 1 0 JKAFRO O[C@]12Cc3c4ccccc4[nH]c3[C@H]3Oc4c5c(ccc4-c4ccco4)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000028523337 563066753 /nfs/dbraw/zinc/06/67/53/563066753.db2.gz GIRHPTYKUIOUEX-UDKDNODWSA-N 1 0 464.565 5.127 1 0 JKAFRO O[C@@H](C[NH2+]Cc1ccccc1OCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028523459 563066880 /nfs/dbraw/zinc/06/68/80/563066880.db2.gz REPLYXLKVPFGQG-NRFANRHFSA-N 1 0 469.425 6.126 1 0 JKAFRO c1ccc(C[C@@H](CNc2cc(-c3ccncc3)c(-c3cccc4ccccc43)nn2)[NH+]2CCCC2)cc1 ZINC000028523670 563066896 /nfs/dbraw/zinc/06/68/96/563066896.db2.gz HGDAIIQIFFCPEQ-MHZLTWQESA-N 1 0 485.635 6.478 1 0 JKAFRO O=C1N(c2ccc(Oc3ccccc3)cc2)CCN1c1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000028523699 563066936 /nfs/dbraw/zinc/06/69/36/563066936.db2.gz DYWKKARJVZJMJV-UHFFFAOYSA-N 1 0 467.573 5.371 1 0 JKAFRO CC(C)C[C@@H](CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028523727 563066963 /nfs/dbraw/zinc/06/69/63/563066963.db2.gz HVOZQNDFLSATHB-QFIPXVFZSA-N 1 0 455.474 5.480 1 0 JKAFRO O[C@]12Cc3c4ccccc4[nH]c3[C@H]3Oc4c5c(ccc4-c4ccccc4)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000028523795 563066978 /nfs/dbraw/zinc/06/69/78/563066978.db2.gz ILZXOOGQPIFULM-KLWPZSMLSA-N 1 0 474.604 5.534 1 0 JKAFRO COc1ccc(NC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523702 563066990 /nfs/dbraw/zinc/06/69/90/563066990.db2.gz CUUICAFATAIIHS-MUUNZHRXSA-N 1 0 492.708 5.806 1 0 JKAFRO COc1ccc(CC[NH2+]C[C@H](c2ccc(C(C)(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028523729 563066999 /nfs/dbraw/zinc/06/69/99/563066999.db2.gz XAPNZZKLQLISLW-SSEXGKCCSA-N 1 0 471.689 5.688 1 0 JKAFRO COc1ccc(CC[NH2+]C[C@@H](c2ccc(C(C)(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028523730 563067004 /nfs/dbraw/zinc/06/70/04/563067004.db2.gz XAPNZZKLQLISLW-PMERELPUSA-N 1 0 471.689 5.688 1 0 JKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)n1cc(C[C@@H]2CCC[N@H+]2C)c2ccccc21 ZINC000028524684 563067199 /nfs/dbraw/zinc/06/71/99/563067199.db2.gz DDWVEJUFVBSWBZ-SFHVURJKSA-N 1 0 459.036 5.692 1 0 JKAFRO NC(=[NH2+])c1ccc2ccc(CN(CCCn3ccnc3)C(=O)c3cccc4ccccc43)cc2c1 ZINC000028524476 563067253 /nfs/dbraw/zinc/06/72/53/563067253.db2.gz DXHIHLHABLPFQM-UHFFFAOYSA-N 1 0 461.569 5.206 1 0 JKAFRO O=S(=O)(c1ccccc1Br)n1cc([C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000028525110 563067475 /nfs/dbraw/zinc/06/74/75/563067475.db2.gz AZXATNGYDIGGJK-FQEVSTJZSA-N 1 0 495.442 5.630 1 0 JKAFRO O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CC[NH+](CC2)[C@@H]1Cc1cnc2ccccc2c1 ZINC000028525623 563067638 /nfs/dbraw/zinc/06/76/38/563067638.db2.gz ILSHGTDNTMHFTJ-DHIUTWEWSA-N 1 0 466.379 5.251 1 0 JKAFRO Cc1ccc(C(=O)Nc2ccccc2NC(=O)OCC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000028526272 563067871 /nfs/dbraw/zinc/06/78/71/563067871.db2.gz NRWAQQPTCYUWBP-UHFFFAOYSA-N 1 0 462.525 5.247 1 0 JKAFRO C[NH+]1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c32)CC1 ZINC000028527032 563068091 /nfs/dbraw/zinc/06/80/91/563068091.db2.gz VQXONFAAUSCWAP-UHFFFAOYSA-N 1 0 492.982 6.218 1 0 JKAFRO O=S(=O)(c1ccc(Cl)c(Cl)c1)n1cc([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000028527073 563068111 /nfs/dbraw/zinc/06/81/11/563068111.db2.gz XDTDNGOPBLKLPK-LJQANCHMSA-N 1 0 485.436 6.175 1 0 JKAFRO Clc1ccc2c(c1)c(NC1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)nn2-c1ccccc1 ZINC000028529513 563068448 /nfs/dbraw/zinc/06/84/48/563068448.db2.gz HCHNCZIKCRUBNW-UHFFFAOYSA-N 1 0 460.965 5.484 1 0 JKAFRO C[C@@H](COc1ccc(C(=O)c2c3ccc(O)cc3sc2-c2ccc(O)cc2)cc1)[NH+]1CCCC1 ZINC000028530601 563068806 /nfs/dbraw/zinc/06/88/06/563068806.db2.gz UQRWUYACRDDBAE-SFHVURJKSA-N 1 0 473.594 6.074 1 0 JKAFRO C[C@@H]1CN([C@@H](c2ccccc2)c2ccc3c(c2)C[NH+](CCC(=O)[O-])C3)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000028570505 563070727 /nfs/dbraw/zinc/07/07/27/563070727.db2.gz NOSKUSRLRUKLHV-OXYPMYLPSA-N 1 0 483.656 5.161 1 0 JKAFRO CC[NH+](CC)CCOc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c(N)n[nH]c21 ZINC000028604292 563071514 /nfs/dbraw/zinc/07/15/14/563071514.db2.gz ILTQFFVJLSZIER-UHFFFAOYSA-N 1 0 472.593 5.485 1 0 JKAFRO O=C1[C@H](CC[NH+]2CCC(c3ccccc3)CC2)CCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028645258 563073254 /nfs/dbraw/zinc/07/32/54/563073254.db2.gz GGBNPTAHLPMFCL-OAQYLSRUSA-N 1 0 498.511 6.342 1 0 JKAFRO O=C(CCC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000028647195 563073562 /nfs/dbraw/zinc/07/35/62/563073562.db2.gz IPFBIASLJCWLSJ-UHFFFAOYSA-N 1 0 493.237 5.976 1 0 JKAFRO CC[C@@H](c1ccccc1)[NH+]1CCN(c2cc(Oc3cccc4sc(NC(C)=O)nc43)ncn2)CC1 ZINC000028702002 563074530 /nfs/dbraw/zinc/07/45/30/563074530.db2.gz GEOKCXJSXMIFSZ-FQEVSTJZSA-N 1 0 488.617 5.110 1 0 JKAFRO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OC[C@@H](C)[NH+]4CCN(C)CC4)cc3)nnc2c1 ZINC000028702861 563074744 /nfs/dbraw/zinc/07/47/44/563074744.db2.gz APKZZQNZDWDZPF-HSZRJFAPSA-N 1 0 496.659 5.375 1 0 JKAFRO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OC[C@H](C)[NH+]4CCN(C)CC4)cc3)nnc2c1 ZINC000028702858 563074787 /nfs/dbraw/zinc/07/47/87/563074787.db2.gz APKZZQNZDWDZPF-QHCPKHFHSA-N 1 0 496.659 5.375 1 0 JKAFRO O=S1(=O)CC=C(c2ccc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000028710036 563076031 /nfs/dbraw/zinc/07/60/31/563076031.db2.gz PRSCKUYRGQJIGJ-UHFFFAOYSA-N 1 0 493.625 5.404 1 0 JKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](Cc3ccc(Oc4ccc(Cl)cc4)cc3)CC2)c1 ZINC000028710585 563076171 /nfs/dbraw/zinc/07/61/71/563076171.db2.gz INIGBMVFQMXBFW-UHFFFAOYSA-N 1 0 463.021 7.106 1 0 JKAFRO COc1ccccc1N1CC[NH+](CCCCOc2ccc(-c3cn4cc(C)ccc4n3)cc2)CC1 ZINC000028711424 563076495 /nfs/dbraw/zinc/07/64/95/563076495.db2.gz BSWBATABCUZHGT-UHFFFAOYSA-N 1 0 470.617 5.300 1 0 JKAFRO NC(=[NH2+])Nc1cccc(N2c3ccccc3C(C3CCCCC3)=NN(Cc3ccccc3)C2=O)c1 ZINC000028711858 563076557 /nfs/dbraw/zinc/07/65/57/563076557.db2.gz ASELOZZDPWFMHX-UHFFFAOYSA-N 1 0 466.589 6.050 1 0 JKAFRO Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCC[N@H+](CCF)C1 ZINC000028711923 563076658 /nfs/dbraw/zinc/07/66/58/563076658.db2.gz ZBNUMBIWAMLVIU-NRFANRHFSA-N 1 0 490.022 6.374 1 0 JKAFRO Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000028711915 563076705 /nfs/dbraw/zinc/07/67/05/563076705.db2.gz DZKYPGWZOFNJJM-QFIPXVFZSA-N 1 0 486.059 6.813 1 0 JKAFRO C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[NH2+]CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)[C@H]12 ZINC000028712083 563076759 /nfs/dbraw/zinc/07/67/59/563076759.db2.gz RFSXOUSYMFLYNV-RRVPNGAVSA-N 1 0 456.508 5.204 1 0 JKAFRO COc1ccc(-c2nnc(SCCC[N@@H+]3CCc4ccc(-c5cc(C)on5)cc4CC3)n2C)cc1 ZINC000028712497 563077036 /nfs/dbraw/zinc/07/70/36/563077036.db2.gz HMXWHDMFAKYACA-UHFFFAOYSA-N 1 0 489.645 5.037 1 0 JKAFRO CC(C)(C)c1ccc(CCCC[NH+]2CCC([C@](O)(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000028755166 563077577 /nfs/dbraw/zinc/07/75/77/563077577.db2.gz KDFLJSUYAYTTKJ-YTTGMZPUSA-N 1 0 490.131 7.608 1 0 JKAFRO Brc1ccc2[nH]cc([C@H]3Nc4ccc(CCC[NH+]5CCCCC5)cc4[C@H]4OCC[C@H]43)c2c1 ZINC000028760571 563078222 /nfs/dbraw/zinc/07/82/22/563078222.db2.gz HBOIWNMREHXSBI-RZDWPUGNSA-N 1 0 494.477 6.593 1 0 JKAFRO CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000028764162 563078455 /nfs/dbraw/zinc/07/84/55/563078455.db2.gz QXAWSSWYWHHUAE-XYFQYJLHSA-N 1 0 495.711 5.681 1 0 JKAFRO CCCCN[C@@H](c1ccc(Cl)cc1Cl)[C@@H]([NH2+]CCCC)c1ccc(Cl)cc1Cl ZINC000028765378 563078577 /nfs/dbraw/zinc/07/85/77/563078577.db2.gz NEQZGYQZBDEPEM-VXKWHMMOSA-N 1 0 462.292 7.862 1 0 JKAFRO CC[N@H+](CCCCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2cc(OC)c(OC)cc2C1 ZINC000028766402 563078692 /nfs/dbraw/zinc/07/86/92/563078692.db2.gz SAAVIAOTXCKBJH-DEOSSOPVSA-N 1 0 499.648 5.318 1 0 JKAFRO CCCOc1ccc2c(c1)CC[C@@H]([N@H+](CC)CCCCOC(=O)c1ccc(OC)c(OC)c1)C2 ZINC000028766631 563078729 /nfs/dbraw/zinc/07/87/29/563078729.db2.gz XPNJHQDIPGMLSA-XMMPIXPASA-N 1 0 469.622 5.309 1 0 JKAFRO CC[NH+](CC)C1CCC(Nc2nc3ccccc3c(Nc3cc(Cl)cc(Cl)c3)n2)CC1 ZINC000028772278 563079283 /nfs/dbraw/zinc/07/92/83/563079283.db2.gz KTVRUSMTZRXFRC-UHFFFAOYSA-N 1 0 458.437 6.745 1 0 JKAFRO CN1CC[NH+](CCCCOc2ccc(C3O[C@H](c4ccccc4)[C@@H](c4ccccc4)O3)cc2)CC1 ZINC000028816323 563079591 /nfs/dbraw/zinc/07/95/91/563079591.db2.gz SSLJAYIRKBZYRD-FQLXRVMXSA-N 1 0 472.629 5.621 1 0 JKAFRO CCn1cnc2nc(N[C@@H](C)CCC[NH+](CC)CC)nc(NCc3ccc(Cl)cc3Cl)c21 ZINC000028817831 563079927 /nfs/dbraw/zinc/07/99/27/563079927.db2.gz KYJYDKPVBKOMAV-INIZCTEOSA-N 1 0 478.472 5.688 1 0 JKAFRO CCn1cnc2nc(NCc3ccc(Cl)cc3Cl)nc(N[C@@H](C)CCC[NH+](CC)CC)c21 ZINC000028817833 563079950 /nfs/dbraw/zinc/07/99/50/563079950.db2.gz SOKWMJWHTQHPOM-INIZCTEOSA-N 1 0 478.472 5.688 1 0 JKAFRO C[NH+]1CCN(Cc2ccc(CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)CC1 ZINC000028821659 563080754 /nfs/dbraw/zinc/08/07/54/563080754.db2.gz KKDLQNPYMYKYAO-UHFFFAOYSA-N 1 0 469.576 6.256 1 0 JKAFRO CCCCN(c1cc[nH+]cc1)c1nc(-c2cc(Br)ccc2F)nc2nccnc21 ZINC000028822259 563081045 /nfs/dbraw/zinc/08/10/45/563081045.db2.gz CXXOLFIYMIFRTI-UHFFFAOYSA-N 1 0 453.319 5.322 1 0 JKAFRO [NH3+]CCCCN(Cc1ccccc1)C(=O)CCCc1c2ccccc2[nH]c1Cc1ccc(O)cc1 ZINC000028825890 563082239 /nfs/dbraw/zinc/08/22/39/563082239.db2.gz RCUXGSSOHNIFNM-UHFFFAOYSA-N 1 0 469.629 5.555 1 0 JKAFRO [NH3+]CCCCCCN(Cc1ccccc1)C(=O)CCCc1c2ccccc2[nH]c1Cc1ccc(O)cc1 ZINC000028825967 563082262 /nfs/dbraw/zinc/08/22/62/563082262.db2.gz HMTWRDDZQWHNDN-UHFFFAOYSA-N 1 0 497.683 6.335 1 0 JKAFRO [NH3+]C[C@H]1CCC[C@@H](CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000028826329 563082455 /nfs/dbraw/zinc/08/24/55/563082455.db2.gz VCADRGFZMDROFP-DSWDNHPHSA-N 1 0 478.080 6.364 1 0 JKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000028827096 563082871 /nfs/dbraw/zinc/08/28/71/563082871.db2.gz WBKDIPKHMHKOSN-HSZRJFAPSA-N 1 0 468.620 5.905 1 0 JKAFRO CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@@H](C)[NH2+]CCC(C)(C)C)s1 ZINC000028827398 563083095 /nfs/dbraw/zinc/08/30/95/563083095.db2.gz AUHIFWMBYZBSOK-QRWLVFNGSA-N 1 0 494.652 5.283 1 0 JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000028863191 563083451 /nfs/dbraw/zinc/08/34/51/563083451.db2.gz XHAOJIXFLQTDPH-UXYKCHTRSA-N 1 0 495.619 6.157 1 0 JKAFRO O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028869719 563083963 /nfs/dbraw/zinc/08/39/63/563083963.db2.gz FPECFHTXABEENA-HHHXNRCGSA-N 1 0 488.031 5.123 1 0 JKAFRO O=C(NCCCC[NH+]1CCC(N(Cc2ccccc2)c2ccccc2)CC1)c1cc2ccccc2s1 ZINC000028869963 563084017 /nfs/dbraw/zinc/08/40/17/563084017.db2.gz YWGRHHHDROUELZ-UHFFFAOYSA-N 1 0 497.708 6.583 1 0 JKAFRO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccc(C(F)(F)F)cc3)oc21 ZINC000028877998 563084526 /nfs/dbraw/zinc/08/45/26/563084526.db2.gz QHCWHZAVIFKCHW-UHFFFAOYSA-N 1 0 497.513 6.703 1 0 JKAFRO Fc1ccccc1-c1nc(COc2ccc3c(c2)[C@@H](N2CC[NH+](C4CCCC4)CC2)CC3)no1 ZINC000028880896 563084764 /nfs/dbraw/zinc/08/47/64/563084764.db2.gz JZTHVDIHEMBRBU-VWLOTQADSA-N 1 0 462.569 5.002 1 0 JKAFRO COc1ccc2nccc([C@H]3CN(C4CC[NH+](Cc5ccccc5Cl)CC4)C(=O)O3)c2c1 ZINC000028893569 563085406 /nfs/dbraw/zinc/08/54/06/563085406.db2.gz VARBXSDNTGNEBA-XMMPIXPASA-N 1 0 451.954 5.055 1 0 JKAFRO COc1ccc2nccc([C@H]3CN(C4CC[NH+](Cc5ccc6ccccc6c5)CC4)C(=O)O3)c2c1 ZINC000028893429 563085451 /nfs/dbraw/zinc/08/54/51/563085451.db2.gz CXPWIZLGIZBSFJ-MUUNZHRXSA-N 1 0 467.569 5.555 1 0 JKAFRO COc1cc(Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1OCC[NH+]1CCCC1 ZINC000028899201 563085942 /nfs/dbraw/zinc/08/59/42/563085942.db2.gz GCGJCQDSXWRBSQ-UHFFFAOYSA-N 1 0 487.625 6.829 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000028903791 563086490 /nfs/dbraw/zinc/08/64/90/563086490.db2.gz AYPRBDIXIJJDIB-HSZRJFAPSA-N 1 0 470.020 6.589 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000028903823 563086524 /nfs/dbraw/zinc/08/65/24/563086524.db2.gz WMVFBRXLCXUZAO-DEOSSOPVSA-N 1 0 498.074 6.849 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+](C)CCc1ccncc1 ZINC000028903856 563086528 /nfs/dbraw/zinc/08/65/28/563086528.db2.gz HXEQWDCVCLUZML-UHFFFAOYSA-N 1 0 458.997 5.321 1 0 JKAFRO COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4ccc(S(C)(=O)=O)cc4Cl)C3)nc2c1 ZINC000028951129 563087116 /nfs/dbraw/zinc/08/71/16/563087116.db2.gz VMQFUMMMSSYUEF-OALUTQOASA-N 1 0 488.053 5.122 1 0 JKAFRO Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3ccc4c(c3)N(C(C)C)C(=O)CO4)CC2)n1 ZINC000028954156 563088096 /nfs/dbraw/zinc/08/80/96/563088096.db2.gz JWONPKLHXBYJHU-UHFFFAOYSA-N 1 0 473.617 5.011 1 0 JKAFRO O=C(/C=C/c1cc(F)c(F)c(F)c1)NCCCC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000028957562 563088463 /nfs/dbraw/zinc/08/84/63/563088463.db2.gz MMZZJZKWUFWNDC-FPYGCLRLSA-N 1 0 450.932 5.547 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@H]3CC[C@@H](NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 ZINC000028957848 563088563 /nfs/dbraw/zinc/08/85/63/563088563.db2.gz SRWUYSGGMLUKLS-NBMSNBCTSA-N 1 0 487.471 6.180 1 0 JKAFRO Cc1ccc(C2CC[NH+](CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 ZINC000028957824 563088564 /nfs/dbraw/zinc/08/85/64/563088564.db2.gz CRLGVKGKGHFIHD-WEVVVXLNSA-N 1 0 471.472 6.433 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 ZINC000028957862 563088568 /nfs/dbraw/zinc/08/85/68/563088568.db2.gz URQRXSPEEJLVIK-SSZUCMNVSA-N 1 0 487.471 6.180 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@H]3CC[C@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 ZINC000028957863 563088576 /nfs/dbraw/zinc/08/85/76/563088576.db2.gz URQRXSPEEJLVIK-UPVJREMESA-N 1 0 487.471 6.180 1 0 JKAFRO NC(=O)c1ccc2[nH]c(-c3ccc(OCC4CC[NH+](Cc5ccc(Cl)cc5)CC4)cc3)nc2c1 ZINC000028960706 563088949 /nfs/dbraw/zinc/08/89/49/563088949.db2.gz LKKIDFQBVDANKO-UHFFFAOYSA-N 1 0 474.992 5.273 1 0 in-vitro JKAFRO COc1ccc(C[N@@H+]2CCCC[C@H]2CCOc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 ZINC000028960862 563088977 /nfs/dbraw/zinc/08/89/77/563088977.db2.gz SCJZQQQHAFLNNH-QHCPKHFHSA-N 1 0 484.600 5.161 1 0 JKAFRO Cc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)cc1 ZINC000028961141 563089074 /nfs/dbraw/zinc/08/90/74/563089074.db2.gz SQBQARPYOQIIJA-GCGQNGMNSA-N 1 0 492.707 6.569 1 0 JKAFRO Cc1ccccc1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[NH+](C)C)ccn32)n1 ZINC000028963665 563089185 /nfs/dbraw/zinc/08/91/85/563089185.db2.gz UYBHQQUKDOMTTD-UHFFFAOYSA-N 1 0 466.564 5.580 1 0 JKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2ccc(F)c(F)c2)n1 ZINC000028963675 563089191 /nfs/dbraw/zinc/08/91/91/563089191.db2.gz XVZSNTPLIZZMEO-UHFFFAOYSA-N 1 0 488.517 5.549 1 0 JKAFRO CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCC[NH+]2CCCC2)c2ccccc21 ZINC000029037830 563090590 /nfs/dbraw/zinc/09/05/90/563090590.db2.gz FKYIGAVOGVNPFJ-UHFFFAOYSA-N 1 0 459.678 6.928 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 ZINC000029040887 563091473 /nfs/dbraw/zinc/09/14/73/563091473.db2.gz ZGCPJKJWPQSVFG-UHFFFAOYSA-N 1 0 482.672 5.996 1 0 JKAFRO O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1 ZINC000029043070 563091936 /nfs/dbraw/zinc/09/19/36/563091936.db2.gz QHWIORVFWIPRAT-VWNXMTODSA-N 1 0 453.051 5.968 1 0 JKAFRO CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000029043659 563092049 /nfs/dbraw/zinc/09/20/49/563092049.db2.gz CWLMBFMGQDVSMX-RDGATRHJSA-N 1 0 474.476 5.296 1 0 JKAFRO Cc1cccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)NC3=O)c1 ZINC000029049450 563092851 /nfs/dbraw/zinc/09/28/51/563092851.db2.gz IOOKPOHJAMJQFS-IMRQLAEWSA-N 1 0 466.585 5.448 1 0 JKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2cc(Cl)cc(Cl)c2NC1=O ZINC000029052520 563093063 /nfs/dbraw/zinc/09/30/63/563093063.db2.gz VNLFLMFHMDJXGU-XMMPIXPASA-N 1 0 480.867 6.239 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cccc4ccccc43)cc1)CC2 ZINC000029063557 563094086 /nfs/dbraw/zinc/09/40/86/563094086.db2.gz IEXXWWLIVDRJDC-UHFFFAOYSA-N 1 0 466.581 5.710 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cccc(Br)c3)cc1)CC2 ZINC000029063866 563094102 /nfs/dbraw/zinc/09/41/02/563094102.db2.gz MCBGDRCVFPXMCN-UHFFFAOYSA-N 1 0 495.417 5.319 1 0 JKAFRO O=C1NC(=O)c2c1c1c(cc2-c2ccccc2Cl)[nH]c2cc(CCCC[NH+]3CCCC3)c(O)cc21 ZINC000029126937 563095354 /nfs/dbraw/zinc/09/53/54/563095354.db2.gz YBBYEUMFVCYTJT-UHFFFAOYSA-N 1 0 487.987 5.649 1 0 JKAFRO C[NH+](C)CCCCc1cc2[nH]c3cc(-c4ccccc4Cl)c4c(c3c2cc1O)C(=O)NC4=O ZINC000029126992 563095410 /nfs/dbraw/zinc/09/54/10/563095410.db2.gz CWXCDIQIRXEVOH-UHFFFAOYSA-N 1 0 461.949 5.115 1 0 JKAFRO Fc1ccc(C[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000029128121 563096063 /nfs/dbraw/zinc/09/60/63/563096063.db2.gz WFSIGTBJUNJKRG-SSEXGKCCSA-N 1 0 467.563 6.225 1 0 JKAFRO COc1ccccc1Oc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000029133666 563097649 /nfs/dbraw/zinc/09/76/49/563097649.db2.gz ALWYLDGQXRIBHM-UHFFFAOYSA-N 1 0 471.601 5.401 1 0 JKAFRO COc1cc2[nH+]ccc(N(C)c3ccc4c(cccc4C(=O)Nc4ccc(Cl)cc4)c3)c2cc1OC ZINC000029134550 563097893 /nfs/dbraw/zinc/09/78/93/563097893.db2.gz XGTBKSVZQRIRGR-UHFFFAOYSA-N 1 0 497.982 7.079 1 0 JKAFRO COc1ccc(C(=O)NCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1 ZINC000029204736 563098264 /nfs/dbraw/zinc/09/82/64/563098264.db2.gz CPBKAVXCKPIAGQ-IHLOFXLRSA-N 1 0 480.608 5.441 1 0 JKAFRO CC[N@@H+]1CCC[C@@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3c(Cl)cc(Cl)cc23)C1 ZINC000029204537 563098290 /nfs/dbraw/zinc/09/82/90/563098290.db2.gz OTPHMFXLNJFYSM-CQSZACIVSA-N 1 0 485.246 6.883 1 0 JKAFRO CC[N@@H+]1CCC[C@@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3cc(Cl)ccc32)C1 ZINC000029205800 563098388 /nfs/dbraw/zinc/09/83/88/563098388.db2.gz WCHAKXVGHFWGGI-OAHLLOKOSA-N 1 0 450.801 6.230 1 0 JKAFRO c1ccc(OCCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1 ZINC000029208627 563098425 /nfs/dbraw/zinc/09/84/25/563098425.db2.gz PKFKCZDGAKFYPV-ZWXJPIIXSA-N 1 0 481.636 6.740 1 0 JKAFRO O[C@@H]1C[NH2+]C[C@H](OCc2ccc3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2)cc1 ZINC000029209061 563098501 /nfs/dbraw/zinc/09/85/01/563098501.db2.gz WQXFNPSHIWXABP-RTOKGZNSSA-N 1 0 497.635 5.459 1 0 JKAFRO O=C(CCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1 ZINC000029211202 563098609 /nfs/dbraw/zinc/09/86/09/563098609.db2.gz IDDIPDKBTSGVOC-BHYZAODMSA-N 1 0 479.620 6.544 1 0 JKAFRO O=C(Nc1ccc([C@@H]2C[N@@H+]3CCC[C@H]3c3ccccc32)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000029233563 563099118 /nfs/dbraw/zinc/09/91/18/563099118.db2.gz FGEGKAGAOKIWLU-ZEQRLZLVSA-N 1 0 451.492 6.632 1 0 JKAFRO Cc1ccc(/C=C2\CSC[C@@H]3C2=NN(CCC[NH+]2CCN(C)CC2)[C@H]3c2ccc(C)cc2)cc1 ZINC000029308599 563099755 /nfs/dbraw/zinc/09/97/55/563099755.db2.gz YWGAQRBVSIMYTD-PYWHIAENSA-N 1 0 474.718 5.100 1 0 JKAFRO O=C(c1cccc2ccccc21)N1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C[C@H]1Cc1ccccc1 ZINC000029392996 563101833 /nfs/dbraw/zinc/10/18/33/563101833.db2.gz BENBCXADYMWEMA-WUFINQPMSA-N 1 0 485.631 6.394 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(OC(=O)N(C)C)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000029415380 563103669 /nfs/dbraw/zinc/10/36/69/563103669.db2.gz XEMMLUAJAPMIEH-UHFFFAOYSA-N 1 0 499.655 6.373 1 0 JKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(COc3cccc(C(F)(F)F)c3)c2c1OC ZINC000029471657 563104652 /nfs/dbraw/zinc/10/46/52/563104652.db2.gz WCCKAUPZKYTFNU-OAHLLOKOSA-N 1 0 463.500 5.389 1 0 JKAFRO CC(C)NC(=O)c1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)cc1 ZINC000029477052 563104909 /nfs/dbraw/zinc/10/49/09/563104909.db2.gz SBDDPCLSOLRMJB-UHFFFAOYSA-N 1 0 482.068 5.038 1 0 JKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)OC[C@@H](Nc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000029482146 563105328 /nfs/dbraw/zinc/10/53/28/563105328.db2.gz YKDHXPWOJKZUFT-MUUNZHRXSA-N 1 0 473.661 7.397 1 0 JKAFRO O=C(/C=C/c1ccc(Br)cc1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029481303 563105346 /nfs/dbraw/zinc/10/53/46/563105346.db2.gz OQSIGOVKHORKKD-JLHYYAGUSA-N 1 0 494.477 6.110 1 0 JKAFRO O=C(/C=C/c1cccc(Cl)c1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029483432 563105409 /nfs/dbraw/zinc/10/54/09/563105409.db2.gz UVGWWGSTRCRHMZ-VAWYXSNFSA-N 1 0 450.026 6.001 1 0 JKAFRO COc1ccc(C[NH2+][C@H](CCSC)CNC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000029487342 563105697 /nfs/dbraw/zinc/10/56/97/563105697.db2.gz OYXPEMWTOBDRGC-OAQYLSRUSA-N 1 0 457.684 5.975 1 0 JKAFRO O[C@H](CCC[NH+]1CCC(N(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000029555261 563106524 /nfs/dbraw/zinc/10/65/24/563106524.db2.gz JJPYMIFWTYGEOO-HHHXNRCGSA-N 1 0 454.536 6.220 1 0 JKAFRO CCC[C@@H](O)C1CC[NH+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029556366 563106661 /nfs/dbraw/zinc/10/66/61/563106661.db2.gz YYHURHAIRKRIMY-ZEQKJWHPSA-N 1 0 491.503 6.112 1 0 JKAFRO CCC[C@H](O)C1CC[NH+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029556363 563106668 /nfs/dbraw/zinc/10/66/68/563106668.db2.gz YYHURHAIRKRIMY-OZXSUGGESA-N 1 0 491.503 6.112 1 0 JKAFRO O=C(CCC[NH+]1CCC(N(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000029558553 563106792 /nfs/dbraw/zinc/10/67/92/563106792.db2.gz KGQDTMJKTDWTGC-UHFFFAOYSA-N 1 0 452.520 6.370 1 0 JKAFRO CCC(=O)C1CC[NH+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029561597 563107081 /nfs/dbraw/zinc/10/70/81/563107081.db2.gz FDCLRKXPPRFSKU-JOCHJYFZSA-N 1 0 475.460 5.930 1 0 JKAFRO COc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1OC ZINC000029562672 563107155 /nfs/dbraw/zinc/10/71/55/563107155.db2.gz ZUBVETSBKYKTPS-UHFFFAOYSA-N 1 0 488.607 5.360 1 0 JKAFRO CCC[NH2+]C[C@H](COc1ccc2c(=O)cc(-c3ccccc3)oc2c1)C(=O)Oc1ccccc1 ZINC000029562325 563107181 /nfs/dbraw/zinc/10/71/81/563107181.db2.gz HYVFOPPKXBXDJR-OAQYLSRUSA-N 1 0 457.526 5.060 1 0 JKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCCNc3ccccc3)CC2)cc1 ZINC000029566916 563107479 /nfs/dbraw/zinc/10/74/79/563107479.db2.gz ZODFEUDRJPYKLM-UHFFFAOYSA-N 1 0 457.597 5.602 1 0 JKAFRO CC(C)N(c1nc2ccccc2n1Cc1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000029567602 563107535 /nfs/dbraw/zinc/10/75/35/563107535.db2.gz LQNKDCCWFSXQIB-UHFFFAOYSA-N 1 0 452.646 6.007 1 0 JKAFRO COc1ccc(Cn2c3ccccc3nc2N(C)C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029567679 563107537 /nfs/dbraw/zinc/10/75/37/563107537.db2.gz LJIGDNQWYMPZBX-UHFFFAOYSA-N 1 0 454.618 5.237 1 0 JKAFRO CCCC1CC[NH+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029569627 563107654 /nfs/dbraw/zinc/10/76/54/563107654.db2.gz YRYHAIASPFZMBI-HSZRJFAPSA-N 1 0 461.477 6.751 1 0 JKAFRO CC[N@@H+]1CC[C@](O)(c2ccc(Oc3ccccc3)cc2)[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000031870928 563108766 /nfs/dbraw/zinc/10/87/66/563108766.db2.gz VZAAVPMTYOEAIJ-BHYZAODMSA-N 1 0 493.603 6.684 1 0 JKAFRO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCCC1)c1ccccc1 ZINC000032024902 563109296 /nfs/dbraw/zinc/10/92/96/563109296.db2.gz GNJOQHQVUANTFR-HLMSNRGBSA-N 1 0 463.670 5.316 1 0 JKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCCCCc1ccccc1 ZINC000032023138 563109311 /nfs/dbraw/zinc/10/93/11/563109311.db2.gz BSZHJWDYFPHDAR-XMMPIXPASA-N 1 0 477.693 7.053 1 0 JKAFRO CCC[NH+](CCC)CCOc1ccc(Cn2c3ccc(O)cc3c(C)c2-c2ccc(O)cc2)cc1 ZINC000033972626 563111396 /nfs/dbraw/zinc/11/13/96/563111396.db2.gz IWOGIWNWSAFOMC-UHFFFAOYSA-N 1 0 472.629 6.577 1 0 JKAFRO COc1ccc2c(c1)OCCC1=C2[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(O)ccc21 ZINC000033990879 563111581 /nfs/dbraw/zinc/11/15/81/563111581.db2.gz BHYFKQDXXVAJEL-WJOKGBTCSA-N 1 0 499.607 6.093 1 0 in-vivo JKAFRO CCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(C(C)=O)c1 ZINC000034013486 563111650 /nfs/dbraw/zinc/11/16/50/563111650.db2.gz SHAKAEUQTANHLB-NVQXNPDNSA-N 1 0 453.602 5.663 1 0 JKAFRO CCc1nc2c(nc(C)cc2C)n1Cc1ccc2c(c1)CCc1cc(CN3CC[NH+](C)CC3)ccc1N2 ZINC000034038430 563111904 /nfs/dbraw/zinc/11/19/04/563111904.db2.gz INKZQGYAHPSKHM-UHFFFAOYSA-N 1 0 494.687 5.248 1 0 JKAFRO O=c1oc2ccccc2n1C1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000034245340 563112721 /nfs/dbraw/zinc/11/27/21/563112721.db2.gz QVHACLVZKFBMLI-UHFFFAOYSA-N 1 0 462.540 6.122 1 0 JKAFRO CC(=O)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000034289865 563112894 /nfs/dbraw/zinc/11/28/94/563112894.db2.gz DIRRXRQEQQIFRS-UHFFFAOYSA-N 1 0 479.567 5.584 1 0 JKAFRO Cc1cc2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nnc2cc1-c1cc(O)ccc1F ZINC000034643152 563114326 /nfs/dbraw/zinc/11/43/26/563114326.db2.gz SYSJUCVVZZZJDK-UHFFFAOYSA-N 1 0 459.525 5.063 1 0 JKAFRO C[NH+](C)CCCNc1nccc(-c2c3ccc(C(F)(F)F)cn3nc2-c2cccc(Cl)c2)n1 ZINC000034643477 563114429 /nfs/dbraw/zinc/11/44/29/563114429.db2.gz BPLAFERSFFTWSQ-UHFFFAOYSA-N 1 0 474.918 5.494 1 0 JKAFRO FC(F)(F)c1cc(COC[C@@]2(c3ccccc3)CC[C@H]([NH+]3CCCCC3)C2)cc(C(F)(F)F)c1 ZINC000034662991 563114521 /nfs/dbraw/zinc/11/45/21/563114521.db2.gz SVNARMJNQZDVGN-BJKOFHAPSA-N 1 0 485.512 7.217 1 0 JKAFRO Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Oc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000034753281 563114976 /nfs/dbraw/zinc/11/49/76/563114976.db2.gz INPGJMSTKSQOMI-UHFFFAOYSA-N 1 0 483.469 5.882 1 0 JKAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2cccc(N)c2)ccc1OC(C)C ZINC000034786176 563115061 /nfs/dbraw/zinc/11/50/61/563115061.db2.gz SJFLHRNGOLSFPU-HHHXNRCGSA-N 1 0 499.615 5.055 1 0 JKAFRO CCOc1cc([C@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2cccc(N)c2)ccc1OC(C)C ZINC000034786173 563115064 /nfs/dbraw/zinc/11/50/64/563115064.db2.gz SJFLHRNGOLSFPU-MHZLTWQESA-N 1 0 499.615 5.055 1 0 JKAFRO C[NH+](C)CCS[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804115 563116387 /nfs/dbraw/zinc/11/63/87/563116387.db2.gz ALCHXFSAGPIQMB-SFHVURJKSA-N 1 0 464.475 5.377 1 0 JKAFRO CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC000034984565 563117761 /nfs/dbraw/zinc/11/77/61/563117761.db2.gz JCZWHTSVKJZFOP-UHFFFAOYSA-N 1 0 456.630 5.560 1 0 JKAFRO CCOCCCC[C@@](O)(c1ccccc1)[C@@H]1CCCN(C(=O)N[C@H](C[NH2+]C)CC2CCCCC2)C1 ZINC000035873185 563120895 /nfs/dbraw/zinc/12/08/95/563120895.db2.gz YADHFRAMIXASPF-IUAQSZDVSA-N 1 0 487.729 5.061 1 0 JKAFRO O=C(Nc1cccc(F)c1)Nc1cc(C(=O)NCC[NH+]2CCCC2)ccc1Oc1cccc(F)c1 ZINC000035952906 563121552 /nfs/dbraw/zinc/12/15/52/563121552.db2.gz QXGAUBMIKBEJAL-UHFFFAOYSA-N 1 0 480.515 5.227 1 0 JKAFRO Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3cccc(SCC[NH+]4CCCC4)c3)nc12 ZINC000035974801 563121596 /nfs/dbraw/zinc/12/15/96/563121596.db2.gz ZJXBZUSLTVQPRP-UHFFFAOYSA-N 1 0 492.048 6.291 1 0 JKAFRO FC(F)(F)c1cccc(N2CC[NH+](CCCCNc3nc(-c4ccccc4)cs3)CC2)c1 ZINC000035974105 563121633 /nfs/dbraw/zinc/12/16/33/563121633.db2.gz ZZWMQJQCXDWUTD-UHFFFAOYSA-N 1 0 460.569 5.843 1 0 JKAFRO COc1ccccc1-c1ncc(OC[C@@H]([NH3+])Cc2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1 ZINC000035998651 563121791 /nfs/dbraw/zinc/12/17/91/563121791.db2.gz BWBKOLABVMEUEV-QFIPXVFZSA-N 1 0 464.569 5.558 1 0 JKAFRO CC(C)c1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)cc1 ZINC000036127087 563122619 /nfs/dbraw/zinc/12/26/19/563122619.db2.gz VXCGYMIHTIKLPL-UHFFFAOYSA-N 1 0 457.553 5.986 1 0 JKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2ccccc2)n1 ZINC000036160905 563123044 /nfs/dbraw/zinc/12/30/44/563123044.db2.gz WRGHDZUIUGKOIV-UHFFFAOYSA-N 1 0 452.537 5.271 1 0 JKAFRO C[C@@H](c1ccccc1)c1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[NH2+]C(C)(C)C)ccn32)n1 ZINC000036161094 563123046 /nfs/dbraw/zinc/12/30/46/563123046.db2.gz GPSPXYIRXJRLAQ-FQEVSTJZSA-N 1 0 479.603 6.637 1 0 JKAFRO CN(Cc1ccccc1)c1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[NH+](C)C)ccn32)n1 ZINC000036161117 563123054 /nfs/dbraw/zinc/12/30/54/563123054.db2.gz LTUUQWYPGMMJAR-UHFFFAOYSA-N 1 0 466.564 5.295 1 0 JKAFRO COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C[NH+]3CCCCC3)cn2)c(F)c1 ZINC000036161618 563123141 /nfs/dbraw/zinc/12/31/41/563123141.db2.gz KEMOJWDVPZPBAS-UHFFFAOYSA-N 1 0 451.517 5.411 1 0 JKAFRO C[C@@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000036175831 563123168 /nfs/dbraw/zinc/12/31/68/563123168.db2.gz DERWBIFGRWFLMI-QFIPXVFZSA-N 1 0 482.621 5.647 1 0 JKAFRO C[C@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000036175836 563123250 /nfs/dbraw/zinc/12/32/50/563123250.db2.gz DERWBIFGRWFLMI-JOCHJYFZSA-N 1 0 482.621 5.647 1 0 JKAFRO CN(Cc1cccc2cc(C[NH+]3CCCCC3)cnc21)C(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000036270586 563125159 /nfs/dbraw/zinc/12/51/59/563125159.db2.gz HBTCWVBUPLVVNX-UHFFFAOYSA-N 1 0 467.588 6.299 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccccc2Cl)CC1 ZINC000036285392 563125271 /nfs/dbraw/zinc/12/52/71/563125271.db2.gz NEKUKOQIJAPXFW-QFIPXVFZSA-N 1 0 481.990 5.686 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000036285696 563125279 /nfs/dbraw/zinc/12/52/79/563125279.db2.gz WIXIPZDYGHCQEX-QHCPKHFHSA-N 1 0 486.582 5.514 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(Cl)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000036285938 563125351 /nfs/dbraw/zinc/12/53/51/563125351.db2.gz IJTWLYFEGPNSFB-MBSDFSHPSA-N 1 0 462.465 5.567 1 0 JKAFRO Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3F)CC2)c([C@@H]([NH3+])CC(C)C)c1 ZINC000036285874 563125390 /nfs/dbraw/zinc/12/53/90/563125390.db2.gz PKHMIICESDNHAH-DVECYGJZSA-N 1 0 460.037 5.361 1 0 JKAFRO COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(C)cc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000036285876 563125429 /nfs/dbraw/zinc/12/54/29/563125429.db2.gz OXCSYBCGVPSTJH-YKSBVNFPSA-N 1 0 472.073 5.230 1 0 JKAFRO C[N@@H+](CC(N)=O)C[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324280 563125772 /nfs/dbraw/zinc/12/57/72/563125772.db2.gz GZGUANKWGWEJTK-XJABCFGWSA-N 1 0 488.472 5.220 1 0 JKAFRO CCCCc1ccc(C(=O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000036351456 563126878 /nfs/dbraw/zinc/12/68/78/563126878.db2.gz QGDPYJHGPFUYJB-UHFFFAOYSA-N 1 0 469.669 6.640 1 0 JKAFRO O=C(CCC[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(CC(F)F)cc1 ZINC000036351463 563126886 /nfs/dbraw/zinc/12/68/86/563126886.db2.gz YMMLGNYBWKPZNI-UHFFFAOYSA-N 1 0 477.595 6.105 1 0 JKAFRO Cc1cc(Cl)ccc1-c1ccc2c(c1)occ(-c1ccc(N3CC[C@@H]([NH+](C)C)C3)nc1)c2=O ZINC000036351573 563126965 /nfs/dbraw/zinc/12/69/65/563126965.db2.gz LJMOIBPUAGWTOI-OAQYLSRUSA-N 1 0 459.977 5.624 1 0 JKAFRO CCCc1cc(N2CCCC2)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000036351781 563127096 /nfs/dbraw/zinc/12/70/96/563127096.db2.gz XEVASSAWJSQJLJ-MDWZMJQESA-N 1 0 453.508 6.458 1 0 JKAFRO O=C1[C@H](Cc2ccccc2)[NH2+]CCCC[C@@H](c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1 ZINC000036383129 563128267 /nfs/dbraw/zinc/12/82/67/563128267.db2.gz DZCPBWBJMMICRI-UIOOFZCWSA-N 1 0 467.440 6.448 3 0 JKAFRO O=C1[C@H](Cc2ccccc2)[NH2+]CCCC[C@H](c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1 ZINC000036383160 563128280 /nfs/dbraw/zinc/12/82/80/563128280.db2.gz DZCPBWBJMMICRI-IZZNHLLZSA-N 1 0 467.440 6.448 3 0 JKAFRO COc1ccc([C@@H]2C=CC[N@H+](CC3CC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388550 563129522 /nfs/dbraw/zinc/12/95/22/563129522.db2.gz LOXGLFHDUZOSOG-XZWHSSHBSA-N 1 0 484.615 5.797 1 0 JKAFRO COc1ccc([C@H]2C=CC[N@H+](CC3CC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388554 563129527 /nfs/dbraw/zinc/12/95/27/563129527.db2.gz LOXGLFHDUZOSOG-LOYHVIPDSA-N 1 0 484.615 5.797 1 0 JKAFRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc2ccccc21 ZINC000036475999 563130429 /nfs/dbraw/zinc/13/04/29/563130429.db2.gz UEPSXCXDVJJKNJ-PKKBDPGCSA-N 1 0 476.564 5.799 1 0 JKAFRO CCCO[C@H]1C[N@H+](C)CCN1c1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1 ZINC000037858305 563130879 /nfs/dbraw/zinc/13/08/79/563130879.db2.gz FBTDGBLSXBQYMX-MHZLTWQESA-N 1 0 496.659 5.865 1 0 JKAFRO CCCO[C@@H]1C[N@H+](C)CCN1c1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1 ZINC000037858322 563130965 /nfs/dbraw/zinc/13/09/65/563130965.db2.gz BRMJAFDCQDQWRJ-HHHXNRCGSA-N 1 0 496.659 5.865 1 0 JKAFRO CCCO[C@H]1C[N@H+](C)CCN1c1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1 ZINC000037858323 563131023 /nfs/dbraw/zinc/13/10/23/563131023.db2.gz BRMJAFDCQDQWRJ-MHZLTWQESA-N 1 0 496.659 5.865 1 0 JKAFRO O=C(NCCCCCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000038140575 563131232 /nfs/dbraw/zinc/13/12/32/563131232.db2.gz NCNZEUCJDCGDDP-LMSSTIIKSA-N 1 0 489.610 6.265 1 0 JKAFRO O=C1NC[C@@H](c2ccccc2)C12CC[NH+](C1(c3ccc(C(F)(F)F)cc3)CCCCC1)CC2 ZINC000038147561 563131825 /nfs/dbraw/zinc/13/18/25/563131825.db2.gz GMVXWTDIBQXJQT-QHCPKHFHSA-N 1 0 456.552 5.861 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)CC[C@@H](C[NH+]1CCCCC1)C2 ZINC000038149692 563132047 /nfs/dbraw/zinc/13/20/47/563132047.db2.gz ZHPSMWWFXSXWBZ-LJQANCHMSA-N 1 0 490.072 6.358 1 0 JKAFRO C[C@@H](Oc1cc(-c2cnn([C@@H]3CCC[NH2+]C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000038210763 563133103 /nfs/dbraw/zinc/13/31/03/563133103.db2.gz WRFQMXGREAFPSC-IUODEOHRSA-N 1 0 450.345 5.038 1 0 JKAFRO C[C@H](Oc1cc(-c2cnn([C@H]3CCC[NH2+]C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000038210764 563133115 /nfs/dbraw/zinc/13/31/15/563133115.db2.gz WRFQMXGREAFPSC-WFASDCNBSA-N 1 0 450.345 5.038 1 0 JKAFRO Cc1ccc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)N(C)c2ccccc2)cc1C ZINC000038211608 563133186 /nfs/dbraw/zinc/13/31/86/563133186.db2.gz LDTSYWQDZCFPED-UHFFFAOYSA-N 1 0 486.616 5.590 1 0 JKAFRO CC(C)[NH+]1CCC(Oc2ccc3c(cc(C(=O)N4CCC(F)(F)CC4)n3CC(F)(F)F)c2)CC1 ZINC000038211618 563133194 /nfs/dbraw/zinc/13/31/94/563133194.db2.gz GWIMHUMVIREARS-UHFFFAOYSA-N 1 0 487.513 5.327 1 0 JKAFRO COc1ccc(C(=O)O[C@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1OC ZINC000038226641 563133389 /nfs/dbraw/zinc/13/33/89/563133389.db2.gz OZGNRFCBGBCSNJ-IZLXSDGUSA-N 1 0 457.570 5.156 1 0 JKAFRO Cc1c(-c2ccc3cc(CC[N@H+]4CCC[C@H]4C)ccc3n2)cnn1-c1ccc(Cl)c(Cl)c1 ZINC000038269775 563133659 /nfs/dbraw/zinc/13/36/59/563133659.db2.gz PPHJOGOEUDGEOR-QGZVFWFLSA-N 1 0 465.428 6.730 1 0 JKAFRO C[N@H+](CCCNc1ccnc2cc(Cl)ccc21)CCCN1c2ccccc2CCc2ccccc21 ZINC000038270185 563133770 /nfs/dbraw/zinc/13/37/70/563133770.db2.gz PDWQYJAOQFZCCO-UHFFFAOYSA-N 1 0 485.075 6.949 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc(C)cc1 ZINC000038380417 563134037 /nfs/dbraw/zinc/13/40/37/563134037.db2.gz UWLYKIFSJQWOHY-UHFFFAOYSA-N 1 0 454.614 6.544 1 0 JKAFRO C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](C(N)=O)C[NH2+]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000038390355 563134294 /nfs/dbraw/zinc/13/42/94/563134294.db2.gz FWQQPWRIPPMKHB-LRAJWGHMSA-N 1 0 474.445 5.182 1 0 JKAFRO [NH3+]C1CCC(Nc2nc3c(ncn3C3CCCC3)c(NCc3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000038454658 563134515 /nfs/dbraw/zinc/13/45/15/563134515.db2.gz DMMKWSKGQPTHGZ-UHFFFAOYSA-N 1 0 481.648 5.902 1 0 JKAFRO COc1cc(N(C)C(=O)c2ccc(Cc3ccccc3)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000038454126 563134540 /nfs/dbraw/zinc/13/45/40/563134540.db2.gz DBNBDGORBGOFLP-UHFFFAOYSA-N 1 0 474.645 6.060 1 0 JKAFRO CCOc1ccc(-c2c(C)c3cc(O)ccc3n2Cc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000038473075 563134747 /nfs/dbraw/zinc/13/47/47/563134747.db2.gz CFBVBWXVYLXPJE-UHFFFAOYSA-N 1 0 484.640 6.634 1 0 JKAFRO O=C(Nc1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)C1CCC1 ZINC000038473705 563134776 /nfs/dbraw/zinc/13/47/76/563134776.db2.gz FAPBWZUNGKHHJO-SFHVURJKSA-N 1 0 493.431 5.015 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000038516130 563134974 /nfs/dbraw/zinc/13/49/74/563134974.db2.gz BKYSDHKFCYGRPX-BTIFBSDPSA-N 1 0 494.520 5.692 1 0 JKAFRO C[C@H](Nc1cc(-c2sc(C3CC[NH+](C)CC3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000038748725 563135389 /nfs/dbraw/zinc/13/53/89/563135389.db2.gz HJEPFPDXSFKWQH-IBGZPJMESA-N 1 0 472.633 6.994 1 0 JKAFRO CN(CCC[NH+]1CCC2(CC1)OCc1ccccc12)C(=O)[C@H](c1ccccc1)c1ccc(F)c(F)c1 ZINC000038803670 563135534 /nfs/dbraw/zinc/13/55/34/563135534.db2.gz IOVSXXYNGKBAID-MUUNZHRXSA-N 1 0 490.594 5.467 1 0 JKAFRO CCC(=O)O[C@H](c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc(OC)cc2)CC1 ZINC000039239011 563136494 /nfs/dbraw/zinc/13/64/94/563136494.db2.gz NGBKHOCUOBOWPM-FQLXRVMXSA-N 1 0 458.602 5.249 1 0 JKAFRO CC(=O)Nc1ccc(C[NH+]2CCC3(CC2)C(NC2CCCCC2)=NC(=O)N3c2cccc(F)c2)cc1 ZINC000039470958 563136809 /nfs/dbraw/zinc/13/68/09/563136809.db2.gz VXIOVOURIXSOTD-UHFFFAOYSA-N 1 0 491.611 5.080 1 0 in-vitro JKAFRO Cc1ccc(-c2nc3c(cccc3N3CC[NH+](CCOc4cccc5[nH]c(=S)[nH]c54)CC3)[nH]2)cc1 ZINC000040379997 563137379 /nfs/dbraw/zinc/13/73/79/563137379.db2.gz MFKUXMYVLLCVND-UHFFFAOYSA-N 1 0 484.629 5.278 1 0 JKAFRO COc1cccc(CCc2ccccc2OCCCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000040380712 563137672 /nfs/dbraw/zinc/13/76/72/563137672.db2.gz DTCOBDNXWXNEKW-UHFFFAOYSA-N 1 0 462.609 5.601 1 0 in-vitro JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1cccnc1 ZINC000040393381 563138383 /nfs/dbraw/zinc/13/83/83/563138383.db2.gz JZNSREPZKLXMHV-RJOCGJNCSA-N 1 0 466.625 6.213 1 0 JKAFRO CCN(C(=O)Cc1ccc(C)cc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040394067 563138654 /nfs/dbraw/zinc/13/86/54/563138654.db2.gz DJELOVCIKWYXEF-OUTSHDOLSA-N 1 0 489.704 5.287 1 0 JKAFRO CCc1ccccc1C(=O)N([C@H](CC[NH+](C)C)Cc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 ZINC000040395282 563139105 /nfs/dbraw/zinc/13/91/05/563139105.db2.gz OTXWONFJGXGQTF-AREMUKBSSA-N 1 0 499.095 5.593 1 0 JKAFRO CCNC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040395472 563139190 /nfs/dbraw/zinc/13/91/90/563139190.db2.gz AXCDKMXPAYZRJH-UXPFIZAPSA-N 1 0 493.478 6.784 1 0 JKAFRO COCCCN(Cc1ccccc1-c1ccc(C[NH+]2CCCCC2)cc1)C(=O)Cc1ccccc1 ZINC000040403451 563139749 /nfs/dbraw/zinc/13/97/49/563139749.db2.gz VRJLPGDOCGOEPA-UHFFFAOYSA-N 1 0 470.657 5.947 1 0 JKAFRO CC(C)(C)c1ccc(-c2nc3c(cccc3N3CC[NH+](Cc4ccc5c(c4)NCC(=O)N5)CC3)[nH]2)cc1 ZINC000040404969 563139975 /nfs/dbraw/zinc/13/99/75/563139975.db2.gz JKWMGGLQCBTHMW-UHFFFAOYSA-N 1 0 494.643 5.214 1 0 JKAFRO CCCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040406327 563140158 /nfs/dbraw/zinc/14/01/58/563140158.db2.gz CWZQLYMLTJJQRQ-JOCHJYFZSA-N 1 0 469.363 5.053 1 0 JKAFRO COc1ccc(C[C@H]2CN3C(=[NH+]C[C@@H]3C3CCCCC3)N2CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000040411836 563140887 /nfs/dbraw/zinc/14/08/87/563140887.db2.gz CIHXHDGIVIGQQQ-GIZSOETQSA-N 1 0 475.721 6.149 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000040420251 563141241 /nfs/dbraw/zinc/14/12/41/563141241.db2.gz IWEFPXABHHMXGD-UHFFFAOYSA-N 1 0 489.019 5.786 1 0 JKAFRO C[N@H+](CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000040422425 563141863 /nfs/dbraw/zinc/14/18/63/563141863.db2.gz VXYWTGBBIISAIW-UHFFFAOYSA-N 1 0 455.404 7.531 1 0 JKAFRO O=C([O-])C[N@@H+]1CCC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040423824 563142548 /nfs/dbraw/zinc/14/25/48/563142548.db2.gz UAXDXLJUUCRWEF-URYVUTJFSA-N 1 0 487.471 6.038 1 0 JKAFRO CC(C)N1C(=O)CC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1=O ZINC000040425068 563143096 /nfs/dbraw/zinc/14/30/96/563143096.db2.gz MJQWCIMLNQNHQW-AREMUKBSSA-N 1 0 483.450 5.157 1 0 JKAFRO CC(C)CCc1cc(NCc2cccc3ccccc32)nc(NCc2cccc3ccccc32)[nH+]1 ZINC000040428894 563143224 /nfs/dbraw/zinc/14/32/24/563143224.db2.gz GZRPWBOVRUSARC-UHFFFAOYSA-N 1 0 460.625 7.596 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000040430594 563143634 /nfs/dbraw/zinc/14/36/34/563143634.db2.gz YGPLIKOLDGNPAM-VWPQPMDRSA-N 1 0 494.520 5.694 1 0 JKAFRO C[NH+](C)C[C@@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1ccccc1Cl ZINC000040467016 563144386 /nfs/dbraw/zinc/14/43/86/563144386.db2.gz NTECLFCOKFHXBK-OAQYLSRUSA-N 1 0 476.411 5.619 1 0 JKAFRO CC(=O)Cc1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040504819 563144795 /nfs/dbraw/zinc/14/47/95/563144795.db2.gz RGJLRUSEXVATEQ-UHFFFAOYSA-N 1 0 493.594 5.513 1 0 JKAFRO CCC(=O)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040505523 563144898 /nfs/dbraw/zinc/14/48/98/563144898.db2.gz LJQMQRJWYCVHDU-UHFFFAOYSA-N 1 0 493.594 5.975 1 0 JKAFRO Cc1cccc(Nc2cc(C[N@@H+](Cc3ccccc3C(F)(F)F)CC3CCCCC3)[nH]n2)c1C ZINC000040565016 563145476 /nfs/dbraw/zinc/14/54/76/563145476.db2.gz TUIABQQYYVTLCL-UHFFFAOYSA-N 1 0 470.583 7.371 1 0 JKAFRO COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040566856 563145837 /nfs/dbraw/zinc/14/58/37/563145837.db2.gz ZCPDOTCFPIBGNP-UHFFFAOYSA-N 1 0 452.639 6.493 1 0 JKAFRO COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2C)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040567021 563145938 /nfs/dbraw/zinc/14/59/38/563145938.db2.gz QOJDYJGSBQKESS-UHFFFAOYSA-N 1 0 460.618 6.421 1 0 JKAFRO COc1ccc(N2CC=C(c3cccc(C(F)(F)F)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040566965 563145942 /nfs/dbraw/zinc/14/59/42/563145942.db2.gz JNVKKGBLLXCMIG-UHFFFAOYSA-N 1 0 460.496 5.009 1 0 JKAFRO COc1ccc(N2CC=C(c3ccc(C(F)(F)F)cc3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040567286 563146043 /nfs/dbraw/zinc/14/60/43/563146043.db2.gz IXRKOSBWZWRRSL-UHFFFAOYSA-N 1 0 460.496 5.009 1 0 JKAFRO O=C1NC[C@H](c2ccc(F)cc2)C12CC[NH+](C1(c3cccc(OC(F)(F)F)c3)CCCCC1)CC2 ZINC000040567906 563146133 /nfs/dbraw/zinc/14/61/33/563146133.db2.gz RQXAELXRNCKUCJ-HSZRJFAPSA-N 1 0 490.541 5.880 1 0 JKAFRO COc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040568015 563146183 /nfs/dbraw/zinc/14/61/83/563146183.db2.gz ZDPLAECUGFFDLN-UHFFFAOYSA-N 1 0 462.590 6.237 1 0 JKAFRO COc1ccc(/C=C2\C[C@H](c3ccc(OCC[NH+]4CCCCC4)cc3)Oc3cc(OC)ccc32)cc1 ZINC000040577136 563146600 /nfs/dbraw/zinc/14/66/00/563146600.db2.gz QHBIIAOFKNJKOJ-SWDMIKTHSA-N 1 0 485.624 6.633 1 0 JKAFRO COc1ccc(/C=C2\C[C@@H](c3ccc(OCC[NH+]4CCCC4)cc3)Oc3cc(OC)ccc32)cc1 ZINC000040584639 563146689 /nfs/dbraw/zinc/14/66/89/563146689.db2.gz QVMXSRNETSBGSK-MYRMHSLDSA-N 1 0 471.597 6.243 1 0 JKAFRO COc1ccc(-c2ccccc2)cc1NC(=O)c1cc(OCCC[NH+](C)C)nn1Cc1ccccc1 ZINC000040631619 563147062 /nfs/dbraw/zinc/14/70/62/563147062.db2.gz PCULTJKZTBSDFD-UHFFFAOYSA-N 1 0 484.600 5.190 1 0 JKAFRO Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc([C@H](C[NH+]3CCCC3)c3ccccc3)n1-2 ZINC000040640496 563147233 /nfs/dbraw/zinc/14/72/33/563147233.db2.gz HOLCVHVDLIVISM-XMMPIXPASA-N 1 0 468.004 5.499 1 0 JKAFRO Cc1c(C(=O)NCC[NH+](C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040640851 563147290 /nfs/dbraw/zinc/14/72/90/563147290.db2.gz VHDXCGPCIAFVQR-UHFFFAOYSA-N 1 0 451.785 5.099 1 0 JKAFRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc21 ZINC000040762352 563147828 /nfs/dbraw/zinc/14/78/28/563147828.db2.gz ULFCONGTFKAEBS-UOKFIYJESA-N 1 0 476.564 5.799 1 0 in-vitro JKAFRO C[NH+](C)[C@H]1CCN(c2ccc(-c3coc4cc(Oc5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1 ZINC000040764178 563148144 /nfs/dbraw/zinc/14/81/44/563148144.db2.gz PRJIEHATVHIXJX-IBGZPJMESA-N 1 0 495.501 5.806 1 0 JKAFRO C[NH+](C)[C@@H]1CCN(c2ccc(-c3coc4cc(Oc5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1 ZINC000040764177 563148166 /nfs/dbraw/zinc/14/81/66/563148166.db2.gz PRJIEHATVHIXJX-LJQANCHMSA-N 1 0 495.501 5.806 1 0 JKAFRO CC(=O)Nc1ccc(N2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040764301 563148284 /nfs/dbraw/zinc/14/82/84/563148284.db2.gz DNTAGIKAURJNKZ-FQEVSTJZSA-N 1 0 490.431 5.337 1 0 JKAFRO Cc1ccc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)Oc2ccccc2)cc1C ZINC000040764420 563148369 /nfs/dbraw/zinc/14/83/69/563148369.db2.gz QAGQATKSRHKVBL-UHFFFAOYSA-N 1 0 473.573 5.532 1 0 JKAFRO O=C(CN1CCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040767541 563148528 /nfs/dbraw/zinc/14/85/28/563148528.db2.gz MVOHQJXRNOPLDL-FEVPWDCHSA-N 1 0 458.646 5.210 1 0 JKAFRO COc1ccc2c3c1O[C@@H]1C(=O)[C@](C)(CCCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000040801146 563148584 /nfs/dbraw/zinc/14/85/84/563148584.db2.gz UUWZNLIYKOSSSK-AOLXYQINSA-N 1 0 485.668 5.743 1 0 JKAFRO COc1cc(N2C(=O)c3ccc(-c4ccccc4)cc3C2=O)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040822409 563148776 /nfs/dbraw/zinc/14/87/76/563148776.db2.gz CKJBUKTWDMJAPK-UHFFFAOYSA-N 1 0 472.585 5.660 1 0 JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccccc1 ZINC000040862795 563150440 /nfs/dbraw/zinc/15/04/40/563150440.db2.gz BMZOOBUXYUNXTL-LHWBMOMUSA-N 1 0 451.610 6.428 1 0 JKAFRO CCN(C(=O)c1ccc(F)cc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040863477 563150595 /nfs/dbraw/zinc/15/05/95/563150595.db2.gz ROMDHEDAKJAJKM-ZBLYBZFDSA-N 1 0 479.640 5.188 1 0 JKAFRO COc1cccc(CCc2ccccc2OCCCC[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000040864286 563150760 /nfs/dbraw/zinc/15/07/60/563150760.db2.gz HPZUBMVVAGACEL-UHFFFAOYSA-N 1 0 474.645 5.470 1 0 in-vitro JKAFRO Cc1ccc(-c2nc3c(cccc3N3CC[NH+](CCOc4cccc5[nH]c(=S)[nH]c54)CC3)[nH]2)c(C)c1 ZINC000040865579 563150951 /nfs/dbraw/zinc/15/09/51/563150951.db2.gz OQKLDGSKMFCEHK-UHFFFAOYSA-N 1 0 498.656 5.587 1 0 JKAFRO O=C(Cc1cccc2ccccc21)Nc1cc(Br)ccc1OCC[NH2+]C1CCCCC1 ZINC000040873176 563151628 /nfs/dbraw/zinc/15/16/28/563151628.db2.gz ZJXXIIDAYAWUPY-UHFFFAOYSA-N 1 0 481.434 6.085 1 0 JKAFRO C[C@@H]1CN(Cc2ccc(-c3ccccc3CN(C)C(=O)CSc3ccccc3)cc2)C[C@H](C)[NH2+]1 ZINC000040875108 563152141 /nfs/dbraw/zinc/15/21/41/563152141.db2.gz UUZOSOMEKJFJPJ-ZRZAMGCNSA-N 1 0 473.686 5.287 1 0 JKAFRO CCOC(=O)[C@@](CCC[N@H+](C)CCCc1nc2cc(C)c(C)cc2[nH]1)(c1ccccc1)C(C)C ZINC000040876811 563152454 /nfs/dbraw/zinc/15/24/54/563152454.db2.gz LGFPWQKLNYNGIJ-GDLZYMKVSA-N 1 0 463.666 5.981 1 0 JKAFRO CCOC(=O)[C@](CCC[N@H+](C)CCCc1nc2cc(C)c(C)cc2[nH]1)(c1ccccc1)C(C)C ZINC000040876814 563152502 /nfs/dbraw/zinc/15/25/02/563152502.db2.gz LGFPWQKLNYNGIJ-LJAQVGFWSA-N 1 0 463.666 5.981 1 0 JKAFRO Cc1c(C[N@@H+](C)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040878195 563152690 /nfs/dbraw/zinc/15/26/90/563152690.db2.gz NTBRKSXVJYORIA-UHFFFAOYSA-N 1 0 462.852 7.572 1 0 JKAFRO CCSc1ccc(NC(=O)c2ccc(C(=[NH2+])N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000040891567 563152986 /nfs/dbraw/zinc/15/29/86/563152986.db2.gz QOTJWMOUCVZFKE-UHFFFAOYSA-N 1 0 482.009 5.239 1 0 JKAFRO c1ccc(OCCNc2ccccc2[C@H]2c3ccccc3CC[N@H+]2CCOc2ccccc2)cc1 ZINC000040891726 563153071 /nfs/dbraw/zinc/15/30/71/563153071.db2.gz OWMAMEQPYBFVPK-WJOKGBTCSA-N 1 0 464.609 6.204 1 0 JKAFRO [NH3+]CCC[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1)c1ccccc1 ZINC000040897036 563154024 /nfs/dbraw/zinc/15/40/24/563154024.db2.gz WURGOIXNFGPAMJ-SFHVURJKSA-N 1 0 469.408 5.264 1 0 JKAFRO O=C1N(CC2CCCCC2)CN(c2ccccc2)C12CC[NH+](C(c1ccccc1)c1ccccc1)CC2 ZINC000040899896 563154641 /nfs/dbraw/zinc/15/46/41/563154641.db2.gz KBHDMWWWVBHMBD-UHFFFAOYSA-N 1 0 493.695 6.497 1 0 JKAFRO COc1ccc2c(c[n+]3c(c2Cc2c(F)cccc2Cl)-c2cc4c(cc2CC3)OCO4)c1OC ZINC000040914013 563155082 /nfs/dbraw/zinc/15/50/82/563155082.db2.gz OBVJOUIGKDWJIL-UHFFFAOYSA-N 1 0 478.927 5.480 1 0 JKAFRO Nc1ccc(-c2ccccc2F)cc1NC(=O)c1ccc(CN2CCC3(CCC[NH2+]3)CC2)cc1 ZINC000040914100 563155123 /nfs/dbraw/zinc/15/51/23/563155123.db2.gz HSHBIVVLOXFRND-UHFFFAOYSA-N 1 0 458.581 5.045 1 0 JKAFRO CCC[N@@H+]1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4ccccc4C(N)=O)n3)c(C)c2)C1 ZINC000040918900 563156480 /nfs/dbraw/zinc/15/64/80/563156480.db2.gz MCHOTIIDAJHLED-UHFFFAOYSA-N 1 0 481.604 5.352 1 0 JKAFRO NC(=[NH2+])c1ccc2[nH]c(-c3ccc4[nH]c(-c5cc(C(F)(F)F)ccc5Cl)nc4c3)nc2c1 ZINC000040939462 563158711 /nfs/dbraw/zinc/15/87/11/563158711.db2.gz ZFWBSYMHTFLHAM-UHFFFAOYSA-N 1 0 454.843 5.729 1 0 JKAFRO O=C(NCc1cccc(-c2cccc(CN3CC[NH2+]CC3)c2)c1)c1cccc(Oc2ccccc2)c1 ZINC000040949437 563159241 /nfs/dbraw/zinc/15/92/41/563159241.db2.gz HICIQQCYTDKJQB-UHFFFAOYSA-N 1 0 477.608 5.481 1 0 JKAFRO c1ccc(CNc2nc(NCc3cccc4ccccc43)cc(CCc3cccc4ccccc43)[nH+]2)cc1 ZINC000040952605 563159928 /nfs/dbraw/zinc/15/99/28/563159928.db2.gz WXRWIHUGVKYDOF-UHFFFAOYSA-N 1 0 494.642 7.792 1 0 JKAFRO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1-c1ccc(-c2csc(N)n2)cc1 ZINC000040952530 563159968 /nfs/dbraw/zinc/15/99/68/563159968.db2.gz BGOWMSRXCRUANU-UHFFFAOYSA-N 1 0 497.668 5.367 1 0 JKAFRO c1ccc(CNc2cc(CCc3cccc4ccccc43)[nH+]c(NCc3cccc4ccccc43)n2)cc1 ZINC000040953197 563160172 /nfs/dbraw/zinc/16/01/72/563160172.db2.gz MBGLIWHJJBJLPQ-UHFFFAOYSA-N 1 0 494.642 7.792 1 0 JKAFRO Cc1cc(NC(=O)c2ccc([C@H](C)[NH+]3CCCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040953245 563160181 /nfs/dbraw/zinc/16/01/81/563160181.db2.gz YPMGNQUWQMDXHN-NRFANRHFSA-N 1 0 495.067 6.337 1 0 JKAFRO CCOCCCO[C@@H](c1cccc(F)c1)[C@@H]1CCCN(C(=O)N[C@H](C[NH2+]C)CC2CCCCC2)C1 ZINC000040954001 563160313 /nfs/dbraw/zinc/16/03/13/563160313.db2.gz GMVLYJRDYOHGSO-STXQHDJLSA-N 1 0 491.692 5.290 1 0 JKAFRO COc1ccc2[nH+]ccc(N[C@@H](c3ccc(CN4CCOCC4)cc3)c3cccc(Cl)c3)c2c1 ZINC000040955358 563160692 /nfs/dbraw/zinc/16/06/92/563160692.db2.gz ALEMYDUCQFOTCW-NDEPHWFRSA-N 1 0 474.004 5.931 1 0 JKAFRO Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CC[NH+](CCc5ccccc5)CC4)ccn32)n1 ZINC000040956279 563160814 /nfs/dbraw/zinc/16/08/14/563160814.db2.gz KFCNUNOUNAFEDT-UHFFFAOYSA-N 1 0 492.602 5.602 1 0 JKAFRO O=c1oc(-c2ccc(OCC[NH+]3CCCCC3)cc2)cc(-c2ccccc2)c1-c1ccccc1 ZINC000040974393 563161724 /nfs/dbraw/zinc/16/17/24/563161724.db2.gz OIZUDULNRUGCAH-UHFFFAOYSA-N 1 0 451.566 6.506 1 0 JKAFRO COc1ccc(-c2cc(-c3ccccc3)oc(=O)c2-c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000040975350 563161875 /nfs/dbraw/zinc/16/18/75/563161875.db2.gz NVYDCSSNJNOZFR-UHFFFAOYSA-N 1 0 481.592 6.514 1 0 JKAFRO CC[C@@H](C)C[NH+]1CCC(c2ccn3c(c2)nc(-c2ccc(F)cc2)c3-c2ccnc(N)n2)CC1 ZINC000040975370 563161878 /nfs/dbraw/zinc/16/18/78/563161878.db2.gz XBGOYHJHWUHHJG-GOSISDBHSA-N 1 0 458.585 5.405 1 0 JKAFRO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1-c1ccc2cccnc2c1 ZINC000040976394 563162215 /nfs/dbraw/zinc/16/22/15/563162215.db2.gz NHSWRIHKYBTJHP-UHFFFAOYSA-N 1 0 450.586 5.210 1 0 JKAFRO C[NH2+][C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@@H](NC(=O)C=C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000042833983 563162816 /nfs/dbraw/zinc/16/28/16/563162816.db2.gz LQBHXRUVFBZZNM-AQEYLYCMSA-N 1 0 472.714 5.246 1 0 JKAFRO COc1cccc(CCc2ccccc2OCCCCC[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000042878089 563163105 /nfs/dbraw/zinc/16/31/05/563163105.db2.gz UZHJKQAEGCHEJR-UHFFFAOYSA-N 1 0 489.656 6.105 1 0 JKAFRO O=C([O-])[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000042893666 563163638 /nfs/dbraw/zinc/16/36/38/563163638.db2.gz FLDDBSYUKQDTDX-HOYKHHGWSA-N 1 0 477.432 5.375 1 0 JKAFRO C[C@@H](NC(=O)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(Cl)cc1 ZINC000042965036 563163858 /nfs/dbraw/zinc/16/38/58/563163858.db2.gz JPFPCRQLYBJTOX-HXUWFJFHSA-N 1 0 491.031 6.014 1 0 JKAFRO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000043011672 563164200 /nfs/dbraw/zinc/16/42/00/563164200.db2.gz VYTGODBEAVYNSQ-AWEZNQCLSA-N 1 0 498.756 5.389 1 0 JKAFRO CC(C)(C)[NH2+]Cc1c(Nc2ccnc3ccc(Cl)cc32)cc(O)cc1-c1ccc(Cl)cc1 ZINC000043014643 563164404 /nfs/dbraw/zinc/16/44/04/563164404.db2.gz UVPGTPKHHJYRKU-UHFFFAOYSA-N 1 0 466.412 7.546 1 0 JKAFRO c1c2ccc(C3=[NH+]CCN3)cc2oc1-c1cccc(OCCCCCCOc2ccccc2)c1 ZINC000043015662 563164500 /nfs/dbraw/zinc/16/45/00/563164500.db2.gz YNYNCQYHXWXJGH-UHFFFAOYSA-N 1 0 454.570 6.468 1 0 JKAFRO FCCn1c(C[NH2+]C2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043015783 563164528 /nfs/dbraw/zinc/16/45/28/563164528.db2.gz UCJJNWLERDLDDF-UHFFFAOYSA-N 1 0 466.815 7.179 1 0 JKAFRO C[C@@H](NC(=O)c1ccc(C=C2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(Br)cc1 ZINC000043022594 563165155 /nfs/dbraw/zinc/16/51/55/563165155.db2.gz DAWKIVTZURXEJP-OAQYLSRUSA-N 1 0 489.457 6.620 1 0 JKAFRO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000043041493 563165454 /nfs/dbraw/zinc/16/54/54/563165454.db2.gz YCFHNXBBJUSNJO-KRWDZBQOSA-N 1 0 475.511 5.501 1 0 JKAFRO CC[NH2+]Cc1ccc([C@@H](C)Oc2cc(-c3cnc4ccccn43)sc2C(N)=O)c(Cl)c1 ZINC000043061232 563165750 /nfs/dbraw/zinc/16/57/50/563165750.db2.gz ZDIQYDZTCNQUCJ-CQSZACIVSA-N 1 0 454.983 5.065 1 0 JKAFRO C[C@@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccc(C[NH2+]C(C)(C)C)cc1C(F)F ZINC000043066185 563166072 /nfs/dbraw/zinc/16/60/72/563166072.db2.gz TXQWUULCESCGAP-OAHLLOKOSA-N 1 0 498.599 6.127 1 0 JKAFRO CC(C)NC(=[NH2+])c1ccc2oc(-c3ccc(OCCCCCOc4ccccc4)cc3)cc2c1 ZINC000043076005 563166723 /nfs/dbraw/zinc/16/67/23/563166723.db2.gz KLLRYJQZODFCOY-UHFFFAOYSA-N 1 0 456.586 7.051 1 0 JKAFRO C1=C/COCc2cc(ccc2OCC[NH+]2CCCC2)Nc2nccc(n2)-c2ccc(s2)COC/1 ZINC000043153644 563168044 /nfs/dbraw/zinc/16/80/44/563168044.db2.gz HXETYVYQZULBML-ONEGZZNKSA-N 1 0 478.618 5.026 1 0 JKAFRO FC(F)(F)c1ccc(-c2cc(COCC3(c4ccccc4)CC[NH2+]CC3)cc(C(F)(F)F)c2)cc1 ZINC000043174838 563168123 /nfs/dbraw/zinc/16/81/23/563168123.db2.gz JJNCMVRANOZYSH-UHFFFAOYSA-N 1 0 493.491 7.229 1 0 JKAFRO C[NH+](C)CCCc1cc(NC(=O)Nc2cccc(Cl)c2Cl)ccc1I ZINC000045228050 563180355 /nfs/dbraw/zinc/18/03/55/563180355.db2.gz FIIFDENFRUCTQK-UHFFFAOYSA-N 1 0 492.188 5.736 1 0 JKAFRO Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cnn(C)c4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000043195769 563168338 /nfs/dbraw/zinc/16/83/38/563168338.db2.gz VHCXIXPPJNYKTE-JOCHJYFZSA-N 1 0 475.036 6.484 1 0 JKAFRO OC[C@H](O)C[N@@H+]1[C@@H](CCc2cccc3ccccc32)CCC[C@H]1CCc1cccc2ccccc21 ZINC000043201091 563168481 /nfs/dbraw/zinc/16/84/81/563168481.db2.gz XSZBXGUXFAAAHF-DYIKCSJPSA-N 1 0 467.653 6.135 1 0 JKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCn3c4ccccc4nc3-c3ccc(Cl)cc3)CC2)c1 ZINC000043201391 563168581 /nfs/dbraw/zinc/16/85/81/563168581.db2.gz DJTVQVIZMNHBCR-UHFFFAOYSA-N 1 0 487.047 6.585 1 0 JKAFRO C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)[NH+](C)C ZINC000044419117 563172769 /nfs/dbraw/zinc/17/27/69/563172769.db2.gz SVKJOAMMICUBIY-ODQNYGKBSA-N 1 0 464.738 6.736 1 0 JKAFRO Fc1ccc2[nH]c(-c3cccc(-c4cccc(C[NH+]5CCN(c6cnccn6)CC5)c4)c3)nc2c1 ZINC000045167170 563172993 /nfs/dbraw/zinc/17/29/93/563172993.db2.gz DJQLYRGZVHKBPB-UHFFFAOYSA-N 1 0 464.548 5.148 1 0 JKAFRO COc1cccc(-c2cccc(C[NH2+]C3CCN(C[C@H]4Cn5c6c4c(F)ccc6ccc5=O)CC3)c2)c1 ZINC000045167112 563173037 /nfs/dbraw/zinc/17/30/37/563173037.db2.gz PZEUUSBYSMFMSM-VWLOTQADSA-N 1 0 497.614 5.168 1 0 JKAFRO c1cncc(Oc2ccc(Nc3ccnc4cc(-c5cccc(C[NH+]6CCCCC6)c5)ccc43)cc2)c1 ZINC000045167388 563173108 /nfs/dbraw/zinc/17/31/08/563173108.db2.gz CSDXTIFNRYQTFV-UHFFFAOYSA-N 1 0 486.619 7.819 1 0 JKAFRO CCOc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000045167361 563173130 /nfs/dbraw/zinc/17/31/30/563173130.db2.gz AWQIYOVPJIEJGI-NRFANRHFSA-N 1 0 474.992 5.286 1 0 JKAFRO [NH3+]C[C@@H]1CCCN1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167400 563173163 /nfs/dbraw/zinc/17/31/63/563173163.db2.gz SBVSTKHXWFTWKG-QFIPXVFZSA-N 1 0 450.508 5.839 1 0 JKAFRO CC(C)c1ccc(NC(=O)c2ccc(C(=O)NCC3CC[NH+](CC4CCCCC4)CC3)cc2)cc1 ZINC000045167574 563173286 /nfs/dbraw/zinc/17/32/86/563173286.db2.gz XWJZVTOWONLCLM-UHFFFAOYSA-N 1 0 475.677 6.084 1 0 JKAFRO [NH3+]C[C@@H]1CCCN1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045167726 563173347 /nfs/dbraw/zinc/17/33/47/563173347.db2.gz USPVXTRSGSCQBM-SFHVURJKSA-N 1 0 456.537 5.900 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]Cc5ccccc5)c4)cc3)nc2c1 ZINC000045167836 563173419 /nfs/dbraw/zinc/17/34/19/563173419.db2.gz JCPFUCULGHUILN-UHFFFAOYSA-N 1 0 457.499 7.206 1 0 JKAFRO CC(C)(C)C(=O)Nc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000045168402 563173623 /nfs/dbraw/zinc/17/36/23/563173623.db2.gz JCOJLRJXLAGZFI-UHFFFAOYSA-N 1 0 462.037 6.236 1 0 JKAFRO Nc1c(Cl)cc([C@@H](O)C[NH2+]CCCCCOCCCc2ccc3ncccc3c2)cc1Cl ZINC000045168523 563173761 /nfs/dbraw/zinc/17/37/61/563173761.db2.gz LKNYKZCKXKNTEE-DEOSSOPVSA-N 1 0 476.448 5.567 1 0 JKAFRO CC(C)c1ccc(/C=C/C(=O)N2CCC(CC[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc1 ZINC000045168634 563173764 /nfs/dbraw/zinc/17/37/64/563173764.db2.gz BCEJNRDUYBZMEU-FMIVXFBMSA-N 1 0 483.700 6.813 1 0 JKAFRO CCN(CC[NH+](C)C)Cc1ccc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000045168521 563173800 /nfs/dbraw/zinc/17/38/00/563173800.db2.gz RMCPBBQPCGHAMR-UHFFFAOYSA-N 1 0 472.054 5.191 1 0 JKAFRO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)c1 ZINC000045168615 563173841 /nfs/dbraw/zinc/17/38/41/563173841.db2.gz GTBQWJMMZVMCTN-UHFFFAOYSA-N 1 0 465.528 6.112 1 0 JKAFRO O=C(Nc1cccc(C[N@@H+]2CCCN(Cc3cccnc3)CC2)c1)c1cc2ccccc2s1 ZINC000045168904 563173945 /nfs/dbraw/zinc/17/39/45/563173945.db2.gz ITDKGNNEJUDDMM-UHFFFAOYSA-N 1 0 456.615 5.257 1 0 JKAFRO COc1cc(/C=C/C(=O)NC2CCC([NH+]3CCC(c4ccccc4C)CC3)CC2)cc(OC)c1 ZINC000045186583 563174206 /nfs/dbraw/zinc/17/42/06/563174206.db2.gz FCFITOUHICALFT-MDWZMJQESA-N 1 0 462.634 5.332 1 0 JKAFRO COc1ccc2nccc([C@@H](O)CN3CCC([NH2+]Cc4cc5c(cc(Cl)cc5Cl)[nH]4)CC3)c2c1 ZINC000045187499 563174398 /nfs/dbraw/zinc/17/43/98/563174398.db2.gz NUOBZJCXSAVQRE-SANMLTNESA-N 1 0 499.442 5.319 1 0 JKAFRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000045187346 563174482 /nfs/dbraw/zinc/17/44/82/563174482.db2.gz BZTCOTWAXIQTQY-UHFFFAOYSA-N 1 0 467.400 6.219 1 0 JKAFRO C[NH+](C)CCOc1ccc(/C(=C(/CCCn2ccnc2)c2ccccc2)c2ccc(O)cc2)cc1 ZINC000045187709 563174522 /nfs/dbraw/zinc/17/45/22/563174522.db2.gz MICACQALYOKMNS-FLWNBWAVSA-N 1 0 467.613 5.969 1 0 JKAFRO O=C(Nc1cccc(C[N@H+]2CCCN(Cc3cccc(O)c3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045187905 563174600 /nfs/dbraw/zinc/17/46/00/563174600.db2.gz KUODGWPCFNMVJO-UHFFFAOYSA-N 1 0 484.427 5.659 1 0 JKAFRO C[C@H]1CN(c2ccc3occ(C(=O)Nc4ccc(-c5ccncc5)c(Cl)c4)c3c2)C[C@H](C)[NH+]1C ZINC000045187762 563174633 /nfs/dbraw/zinc/17/46/33/563174633.db2.gz ASTBAAJNISQQSR-ROUUACIJSA-N 1 0 474.992 5.929 1 0 JKAFRO COc1ccccc1Nc1nc(NC2CC[NH+](C)CC2)cc(-c2cccc(C(F)(F)F)c2)n1 ZINC000045188061 563174750 /nfs/dbraw/zinc/17/47/50/563174750.db2.gz FKGGMFMCWCEKBE-UHFFFAOYSA-N 1 0 457.500 5.421 1 0 JKAFRO COc1cc(C[C@H](C)[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 ZINC000045188349 563174799 /nfs/dbraw/zinc/17/47/99/563174799.db2.gz NXNWQXLTENSPMS-FDDCHVKYSA-N 1 0 459.508 5.547 1 0 JKAFRO C[C@@H](Cc1ccc(SCCSc2ccccc2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000045188732 563174927 /nfs/dbraw/zinc/17/49/27/563174927.db2.gz LQGDEIMFECMAKH-DFBJGRDBSA-N 1 0 458.092 6.479 1 0 JKAFRO C[C@H](Cc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1)[NH2+]C[C@H](O)c1ccccc1 ZINC000045188575 563174965 /nfs/dbraw/zinc/17/49/65/563174965.db2.gz PNOVWAYGLVOJSX-BTYSJIOQSA-N 1 0 465.593 5.887 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@H+](Cc3ccsc3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045189263 563175162 /nfs/dbraw/zinc/17/51/62/563175162.db2.gz QBDJGIGLCREUME-UHFFFAOYSA-N 1 0 474.457 6.015 1 0 JKAFRO Cc1cc(NCC(c2ccccc2)c2ccccc2)nc(NCc2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000045189648 563175304 /nfs/dbraw/zinc/17/53/04/563175304.db2.gz IJUGSQZHWOWBFG-UHFFFAOYSA-N 1 0 462.519 6.660 1 0 JKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)c2)c1 ZINC000045190188 563175536 /nfs/dbraw/zinc/17/55/36/563175536.db2.gz INPGXAZQBNJVIB-UHFFFAOYSA-N 1 0 498.630 7.767 1 0 JKAFRO CCC[NH2+]Cc1ccc(-c2ccc(CN(C[C@@H]3CCCO3)C(=O)[C@@H]3CC(=O)c4ccccc43)cc2)nc1 ZINC000045190934 563175680 /nfs/dbraw/zinc/17/56/80/563175680.db2.gz DWSILWRKVWCDDB-LBNVMWSVSA-N 1 0 497.639 5.126 1 0 JKAFRO Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)nc(NCC2CCCCC2)[nH+]1 ZINC000045190650 563175698 /nfs/dbraw/zinc/17/56/98/563175698.db2.gz PPRFRGHCRCTGCY-SANMLTNESA-N 1 0 471.649 5.159 1 0 JKAFRO Cc1cccc2[nH]c(-c3ccc(-c4ccc(NC(=O)[C@@H](C)C[NH+]5CCN(C)CC5)cc4)s3)nc21 ZINC000045191434 563175831 /nfs/dbraw/zinc/17/58/31/563175831.db2.gz FIPNPIXGSYHJAY-IBGZPJMESA-N 1 0 473.646 5.089 1 0 JKAFRO COc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)cc1 ZINC000045191487 563175927 /nfs/dbraw/zinc/17/59/27/563175927.db2.gz JGELAEPILUTQJG-UHFFFAOYSA-N 1 0 487.525 7.214 1 0 JKAFRO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045191595 563175956 /nfs/dbraw/zinc/17/59/56/563175956.db2.gz FNWUKPNHQBLZCL-UHFFFAOYSA-N 1 0 492.545 6.018 1 0 JKAFRO O=C(NCCCCCC[NH2+]Cc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000045192002 563175991 /nfs/dbraw/zinc/17/59/91/563175991.db2.gz AGMBLEWLVGSXAM-UHFFFAOYSA-N 1 0 470.444 7.132 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000045192043 563176028 /nfs/dbraw/zinc/17/60/28/563176028.db2.gz CNOFVYJCHNCYGG-KVDXNUTJSA-N 1 0 488.459 5.644 1 0 JKAFRO OCC1CC[NH+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)CC1 ZINC000045192385 563176279 /nfs/dbraw/zinc/17/62/79/563176279.db2.gz ZTJRDIKQGFCYRT-UHFFFAOYSA-N 1 0 465.519 6.120 1 0 JKAFRO COc1ccc(-c2ccc(C[N@H+](C)C3CCC(NC(=O)c4cc5ccccc5[nH]4)CC3)cc2)cn1 ZINC000045192367 563176286 /nfs/dbraw/zinc/17/62/86/563176286.db2.gz PRDDYFVALBCVRV-UHFFFAOYSA-N 1 0 468.601 5.412 1 0 JKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cc(F)c(F)cc3F)CC2)CC1 ZINC000045192402 563176304 /nfs/dbraw/zinc/17/63/04/563176304.db2.gz LWXYNXUXWOEFIB-IZZDOVSWSA-N 1 0 472.551 5.433 1 0 JKAFRO COc1ccc2nccc([C@@H](O)CN3CCC([NH2+]Cc4cc5cc(C)ccc5s4)CC3)c2c1 ZINC000045192706 563176407 /nfs/dbraw/zinc/17/64/07/563176407.db2.gz HCRMVFQJWXDPIL-SANMLTNESA-N 1 0 461.631 5.054 1 0 JKAFRO CC[C@@H](COCc1ccc(Cl)cc1)N(C)CC[N@H+](C)[C@@H](CC)COCc1ccc(Cl)cc1 ZINC000045192904 563176481 /nfs/dbraw/zinc/17/64/81/563176481.db2.gz CZJCLWXUOAVPSF-UIOOFZCWSA-N 1 0 481.508 6.148 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3F)CC2)CC1 ZINC000045192830 563176494 /nfs/dbraw/zinc/17/64/94/563176494.db2.gz YTRQASHBZJPQRW-NTUHNPAUSA-N 1 0 488.569 6.473 1 0 JKAFRO Cc1nnc2c(NC(=O)NC(C)C)cc3cc(-c4ccc(C[NH+]5CCCCC5)cc4)ccc3n12 ZINC000045192807 563176564 /nfs/dbraw/zinc/17/65/64/563176564.db2.gz VXDPWOJLAGPNPK-UHFFFAOYSA-N 1 0 456.594 5.374 1 0 JKAFRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4ccc(N(C)C)cc4)cs3)C2)cc1 ZINC000045192797 563176567 /nfs/dbraw/zinc/17/65/67/563176567.db2.gz LUHZETXPQXBRHR-QFIPXVFZSA-N 1 0 461.675 5.856 1 0 JKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045193699 563176734 /nfs/dbraw/zinc/17/67/34/563176734.db2.gz YDQWKLGSYANYIN-UHFFFAOYSA-N 1 0 490.632 7.520 1 0 JKAFRO O=C(COc1ccc(Cl)cc1)N1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045193716 563176752 /nfs/dbraw/zinc/17/67/52/563176752.db2.gz KVIUJRYDBNNBFK-UHFFFAOYSA-N 1 0 466.025 5.318 1 0 JKAFRO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045194345 563177047 /nfs/dbraw/zinc/17/70/47/563177047.db2.gz QIFGVFJZVAPZQT-UHFFFAOYSA-N 1 0 492.545 6.018 1 0 JKAFRO COc1cc(/C=C/C(=O)NC2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)ccc1O ZINC000045194758 563177140 /nfs/dbraw/zinc/17/71/40/563177140.db2.gz PWEFXKUPIUYHOD-UKTHLTGXSA-N 1 0 487.644 5.450 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)cc1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045194752 563177159 /nfs/dbraw/zinc/17/71/59/563177159.db2.gz IFBJHGXXBZNNBF-NTEUORMPSA-N 1 0 476.064 6.389 1 0 JKAFRO O=C1Nc2cccc3c2[C@@]1(CCCC[NH+]1CCC(c2c[nH]c4cc(C(F)(F)F)ccc42)CC1)CCC3 ZINC000045194761 563177186 /nfs/dbraw/zinc/17/71/86/563177186.db2.gz VGKJVZGDHUVNBX-MUUNZHRXSA-N 1 0 495.589 6.763 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccc(C[NH2+]Cc5ccccc5)cc4)c3)nc2c1 ZINC000045195071 563177264 /nfs/dbraw/zinc/17/72/64/563177264.db2.gz XALQJAASMPODGR-UHFFFAOYSA-N 1 0 457.499 7.206 1 0 JKAFRO OCCN1CC[NH+](Cc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)CC1 ZINC000045194844 563177292 /nfs/dbraw/zinc/17/72/92/563177292.db2.gz RKYLSMWIKCMBFJ-UHFFFAOYSA-N 1 0 480.534 5.026 1 0 JKAFRO CC(C)Oc1ccccc1-c1csc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3)C2)c1 ZINC000045195188 563177450 /nfs/dbraw/zinc/17/74/50/563177450.db2.gz ZDKVTSLJTWAGLE-QHCPKHFHSA-N 1 0 490.713 6.752 1 0 JKAFRO O=C(NCC[NH+]1CCCC1)c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045195500 563177553 /nfs/dbraw/zinc/17/75/53/563177553.db2.gz JGTZASBALXQWDI-UHFFFAOYSA-N 1 0 484.547 5.803 1 0 JKAFRO CCCCCCNC(=O)[C@@H]1Cc2c3cc(C)ccc3[nH]c2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000045196083 563177676 /nfs/dbraw/zinc/17/76/76/563177676.db2.gz WYBQYCOXVUPKRN-NDEPHWFRSA-N 1 0 486.704 5.221 1 0 JKAFRO O=C(NC[C@@H]1CC[N@H+](CC2CCCCC2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045195801 563177693 /nfs/dbraw/zinc/17/76/93/563177693.db2.gz HVAOXKKQYPFIPD-SFHVURJKSA-N 1 0 450.570 6.066 1 0 JKAFRO O=C(/C=C/c1ccccc1O)N1CCC(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045201601 563178323 /nfs/dbraw/zinc/17/83/23/563178323.db2.gz YTQYBZRXJZASGS-MDZDMXLPSA-N 1 0 457.618 5.395 1 0 JKAFRO O=C(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)c1cc2ccccc2s1 ZINC000045201599 563178327 /nfs/dbraw/zinc/17/83/27/563178327.db2.gz VVMRBXHHQDKZCF-UHFFFAOYSA-N 1 0 471.670 6.551 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000045201648 563178354 /nfs/dbraw/zinc/17/83/54/563178354.db2.gz OSKQEVNJOBYWCG-NTEUORMPSA-N 1 0 470.579 6.334 1 0 JKAFRO O=C(Nc1ccccc1Cl)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045201982 563178425 /nfs/dbraw/zinc/17/84/25/563178425.db2.gz ZCUROKBHRQASPA-UHFFFAOYSA-N 1 0 465.041 6.381 1 0 JKAFRO O=C(Nc1ccc(OC2CC[NH+](Cc3ccc(F)cc3)CC2)c(Cl)c1)c1ccc(F)cc1 ZINC000045202343 563178672 /nfs/dbraw/zinc/17/86/72/563178672.db2.gz CBQWSGHTYSBHKI-UHFFFAOYSA-N 1 0 456.920 5.914 1 0 JKAFRO COc1ccc(NC(=O)[C@H](Cc2ccccc2)Nc2cc(C)[nH+]c(NCC3CCCCC3)n2)cc1 ZINC000045202651 563178822 /nfs/dbraw/zinc/17/88/22/563178822.db2.gz RFCHLSPCFMLDPS-VWLOTQADSA-N 1 0 473.621 5.448 1 0 JKAFRO C[N@@H+]1CCC[C@@H](CN2CCN(Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)c3)CC2)C1 ZINC000045202523 563178839 /nfs/dbraw/zinc/17/88/39/563178839.db2.gz GVSFRCFUHLUUJM-HSZRJFAPSA-N 1 0 485.701 5.418 1 0 JKAFRO O=C(NCCCCC[N@@H+]1CC[C@@H](c2c[nH]c3ccccc32)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000045202973 563179165 /nfs/dbraw/zinc/17/91/65/563179165.db2.gz IPNLFRMAZILFPL-QGZVFWFLSA-N 1 0 459.421 6.256 1 0 JKAFRO c1ccc(Oc2ccc(Nc3ccnc(Nc4ccc(CN5CCOCC5)cc4)n3)cc2)cc1 ZINC000045210576 563179357 /nfs/dbraw/zinc/17/93/57/563179357.db2.gz UDPKZUZXIGOHDH-UHFFFAOYSA-N 1 0 453.546 5.588 1 0 JKAFRO C[NH+](C)CCCc1cc2c(cc1Cl)CCN2C(=O)Nc1ccc(-c2ccncc2)c2ccccc12 ZINC000045210710 563179461 /nfs/dbraw/zinc/17/94/61/563179461.db2.gz UPQOODFXVHVQIC-UHFFFAOYSA-N 1 0 485.031 6.644 1 0 JKAFRO O=c1cc(NCCC[NH2+]Cc2scc3c2nc(C(F)(F)F)cc3Cl)[nH]c2ccccc12 ZINC000045210825 563179489 /nfs/dbraw/zinc/17/94/89/563179489.db2.gz IHOMVYQHIQSCCW-UHFFFAOYSA-N 1 0 466.916 5.402 1 0 JKAFRO Cc1noc(-c2ccc3c(c2)CC[N@@H+](CCC2CCC(NC(=O)c4cc5ccccc5[nH]4)CC2)CC3)n1 ZINC000045210931 563179519 /nfs/dbraw/zinc/17/95/19/563179519.db2.gz XRTROAJGYBLKCU-UHFFFAOYSA-N 1 0 497.643 5.306 1 0 JKAFRO CC(C)CCNC(=O)[C@H]1Cc2c3ccc(Cl)cc3[nH]c2C2(CC[NH+](CCc3ccccc3)CC2)N1 ZINC000045226712 563179759 /nfs/dbraw/zinc/17/97/59/563179759.db2.gz VKKAFEINEJIDMX-AREMUKBSSA-N 1 0 493.095 5.032 1 0 JKAFRO C[C@H](COc1ccc2c(c1)OC(C)(C)C[C@H]2c1ccccc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000045226910 563179802 /nfs/dbraw/zinc/17/98/02/563179802.db2.gz JLPQEIDGTOCHNP-PBXQCXKZSA-N 1 0 466.021 6.124 1 0 JKAFRO CCC/C=C/c1c(Br)c(CC)sc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000045227105 563179860 /nfs/dbraw/zinc/17/98/60/563179860.db2.gz XUJILJYDRKMJTF-IZZDOVSWSA-N 1 0 488.495 6.320 1 0 JKAFRO O=C(NCC[NH+]1CCCC1)c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045227043 563179944 /nfs/dbraw/zinc/17/99/44/563179944.db2.gz VJWMDJQLHFMUKB-UHFFFAOYSA-N 1 0 478.518 5.741 1 0 JKAFRO c1ccc(Oc2ccc(Nc3ccnc(Nc4ccc(OCC[NH+]5CCCCC5)cc4)n3)cc2)cc1 ZINC000045227256 563180007 /nfs/dbraw/zinc/18/00/07/563180007.db2.gz UDAPHCGANLGPSK-UHFFFAOYSA-N 1 0 481.600 6.621 1 0 JKAFRO CC(C)c1ccc(C[N@H+](C)CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000045227260 563180020 /nfs/dbraw/zinc/18/00/20/563180020.db2.gz UQINRKCFAXOQCJ-UHFFFAOYSA-N 1 0 492.063 6.358 1 0 JKAFRO COCC[NH2+]Cc1ncsc1-c1ccc2c(c1)nccc2Nc1ccc(Oc2ccccc2)cc1 ZINC000045228166 563180290 /nfs/dbraw/zinc/18/02/90/563180290.db2.gz YOWZLRGLHHQQRK-UHFFFAOYSA-N 1 0 482.609 6.630 1 0 JKAFRO CN(C)CC[NH2+]Cc1cccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccn3)cc2)c1 ZINC000045228410 563180389 /nfs/dbraw/zinc/18/03/89/563180389.db2.gz VDCKOJHSWSCVPD-UHFFFAOYSA-N 1 0 489.623 6.484 1 0 JKAFRO CCc1ccccc1N1CC[NH+](CCCC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000045228219 563180438 /nfs/dbraw/zinc/18/04/38/563180438.db2.gz ZJJQXBVGBCKJJB-UHFFFAOYSA-N 1 0 490.047 5.940 1 0 JKAFRO [NH3+][C@@H]1CCCN(Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045228636 563180532 /nfs/dbraw/zinc/18/05/32/563180532.db2.gz XDQWTVHHFIHNIW-JOCHJYFZSA-N 1 0 450.508 5.839 1 0 JKAFRO CCCCCCNC(=O)[C@H]1Cc2c3cc(C)ccc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000045228750 563180576 /nfs/dbraw/zinc/18/05/76/563180576.db2.gz VJRLFRMVGGWPHK-HHHXNRCGSA-N 1 0 472.677 5.178 1 0 JKAFRO NC(=O)C1CC[NH+](Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cc2)CC1 ZINC000045229532 563180779 /nfs/dbraw/zinc/18/07/79/563180779.db2.gz ASBCGRJJBSQZOY-UHFFFAOYSA-N 1 0 478.518 5.613 1 0 JKAFRO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)C1 ZINC000045229927 563180936 /nfs/dbraw/zinc/18/09/36/563180936.db2.gz ISEWOCHSSCVVNI-VWLOTQADSA-N 1 0 467.613 6.451 1 0 JKAFRO CSCCC[NH+]1CCC(O)(c2ccc3oc(C(=O)Nc4ccc5sc(C)nc5c4)cc3c2)CC1 ZINC000045229675 563180947 /nfs/dbraw/zinc/18/09/47/563180947.db2.gz XWPLTXHVRSXJQJ-UHFFFAOYSA-N 1 0 495.670 5.640 1 0 JKAFRO O=C(Nc1ccc(Cl)cc1)c1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000045230263 563181106 /nfs/dbraw/zinc/18/11/06/563181106.db2.gz SKFSMMGTIFVDGS-UHFFFAOYSA-N 1 0 451.973 5.439 1 0 JKAFRO Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)[C@@H](C)C[NH+]5CCN(C)CC5)c4)c3)nc21 ZINC000045230040 563181130 /nfs/dbraw/zinc/18/11/30/563181130.db2.gz SDQKNXPESRXBSL-NRFANRHFSA-N 1 0 467.617 5.027 1 0 JKAFRO CC[C@H]1C[N@@H+]2CC[C@@H]1C[C@H]2[C@H](O)c1cc(N2CCC(c3ccccc3)CC2)nc2ccc(OC)cc21 ZINC000045230229 563181139 /nfs/dbraw/zinc/18/11/39/563181139.db2.gz VYAWNPCCSDQJCZ-KDALEEAESA-N 1 0 485.672 5.781 1 0 JKAFRO O=C(NCc1ccc(Cl)cc1)c1ccc(CN2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000045230429 563181245 /nfs/dbraw/zinc/18/12/45/563181245.db2.gz FOKJKDDAUDUBKV-UHFFFAOYSA-N 1 0 454.058 5.358 1 0 JKAFRO Cc1ccc(C[N@@H+]2CCCN(Cc3cccc(NC(=O)c4cc5ccccc5s4)c3)CC2)cc1 ZINC000045230932 563181280 /nfs/dbraw/zinc/18/12/80/563181280.db2.gz VSUJZRLJYFMKEJ-UHFFFAOYSA-N 1 0 469.654 6.170 1 0 JKAFRO CN(C)C(=O)c1ccc(C[N@H+](Cc2ccc(OC(C)(C)C)cc2)Cc2ccc3c(c2)OCCO3)cc1 ZINC000045231138 563181315 /nfs/dbraw/zinc/18/13/15/563181315.db2.gz XJNVVVOMFZTZOX-UHFFFAOYSA-N 1 0 488.628 5.539 1 0 JKAFRO CCC[C@@]1(CC)Cc2c(cccc2C[NH+]2CCC3(CCN(C(=O)c4ccc(N)cn4)CC3)CC2)O1 ZINC000045253624 563182111 /nfs/dbraw/zinc/18/21/11/563182111.db2.gz KXLSNWXEEUBBQQ-LJAQVGFWSA-N 1 0 476.665 5.066 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000045256141 563182706 /nfs/dbraw/zinc/18/27/06/563182706.db2.gz MCUUCGRZCLOQAB-UHFFFAOYSA-N 1 0 471.645 5.719 1 0 JKAFRO COC(=O)c1ccc(CCCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000045255988 563182717 /nfs/dbraw/zinc/18/27/17/563182717.db2.gz KIZHXXNZJUOENQ-UHFFFAOYSA-N 1 0 457.614 5.444 1 0 in-vitro JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000045259541 563183018 /nfs/dbraw/zinc/18/30/18/563183018.db2.gz BBKZREMGMNWSDD-UHFFFAOYSA-N 1 0 477.674 5.781 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc([C@@H](C)O)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045284690 563183718 /nfs/dbraw/zinc/18/37/18/563183718.db2.gz DBFHDFUSJJCBCW-XMMPIXPASA-N 1 0 485.672 6.025 1 0 JKAFRO Clc1ccc2c(c1)nccc2NCCC[NH2+]CCN(Cc1ccccc1)Cc1ccccc1 ZINC000045298882 563185159 /nfs/dbraw/zinc/18/51/59/563185159.db2.gz STTZUIFLMLCVSS-UHFFFAOYSA-N 1 0 459.037 5.982 1 0 JKAFRO C[C@H]1CCCC[N@@H+]1CCCNc1ncc(C(=O)NCc2ccccc2)c(NCC2CCCCC2)n1 ZINC000045300624 563185601 /nfs/dbraw/zinc/18/56/01/563185601.db2.gz MGWCGIMMWNOPJX-QFIPXVFZSA-N 1 0 478.685 5.075 1 0 JKAFRO CN1CC[NH+](Cc2cccc(-c3ccc4c(c3)nccc4Nc3ccc(F)cc3Cl)c2)CC1 ZINC000045301208 563185681 /nfs/dbraw/zinc/18/56/81/563185681.db2.gz YRFLLQLCTCSZIN-UHFFFAOYSA-N 1 0 460.984 6.185 1 0 JKAFRO O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(C2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)cc1 ZINC000045301334 563185762 /nfs/dbraw/zinc/18/57/62/563185762.db2.gz VJJGJKYICUGIRM-UHFFFAOYSA-N 1 0 493.438 6.179 1 0 JKAFRO O[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc(-c3c[nH]c4nc(NC5CCCC5)ncc34)c2)C1 ZINC000045301948 563185974 /nfs/dbraw/zinc/18/59/74/563185974.db2.gz SFLILKNHOREOPZ-NDEPHWFRSA-N 1 0 453.590 5.073 1 0 JKAFRO CN(C)c1ccc(-c2csc(C(=O)N[C@@H]3CC[N@H+](Cc4ccc(C(C)(C)C)cc4)C3)c2)cc1 ZINC000045301955 563185978 /nfs/dbraw/zinc/18/59/78/563185978.db2.gz QTFXHBGEJCCZOO-XMMPIXPASA-N 1 0 461.675 5.783 1 0 JKAFRO C[NH+](C)CC[C@H](NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 ZINC000045301890 563186053 /nfs/dbraw/zinc/18/60/53/563186053.db2.gz TZONAFQWXPMWNQ-HKBQPEDESA-N 1 0 458.605 7.083 1 0 JKAFRO CC(C)(C)c1ccc(NC(=O)c2cccc(CN3CCC[N@H+](Cc4ccsc4)CC3)c2)cc1 ZINC000045302294 563186234 /nfs/dbraw/zinc/18/62/34/563186234.db2.gz MKRXIGKZEUMERO-UHFFFAOYSA-N 1 0 461.675 6.006 1 0 JKAFRO COc1ccc(Nc2nc(NC3CC[NH+](Cc4ccccc4)CC3)cc(-c3ccncc3)n2)cc1 ZINC000045302341 563186307 /nfs/dbraw/zinc/18/63/07/563186307.db2.gz XRMASEIFJFBDMD-UHFFFAOYSA-N 1 0 466.589 5.367 1 0 JKAFRO O=C1CCCN1CCC[NH2+]Cc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045302510 563186420 /nfs/dbraw/zinc/18/64/20/563186420.db2.gz VFUBHEPCGJUGIP-UHFFFAOYSA-N 1 0 492.545 6.018 1 0 JKAFRO Fc1cc(Cl)ccc1Nc1ccnc2cc(-c3ccc(C[NH2+]CCN4CCOCC4)o3)ccc21 ZINC000045302494 563186432 /nfs/dbraw/zinc/18/64/32/563186432.db2.gz TUVYDGBNNXJMHB-UHFFFAOYSA-N 1 0 480.971 5.453 1 0 JKAFRO CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@@H+](Cc2c[nH]c4cnccc24)CC3)cc1 ZINC000045302578 563186481 /nfs/dbraw/zinc/18/64/81/563186481.db2.gz QPGRWYNLBMMVLV-UHFFFAOYSA-N 1 0 488.657 5.307 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)s1 ZINC000045302598 563186543 /nfs/dbraw/zinc/18/65/43/563186543.db2.gz ZQNSTVLGNCPBPY-UHFFFAOYSA-N 1 0 485.440 5.993 1 0 JKAFRO COc1ccc(-c2cccc(C[NH2+]C3CCN(C[C@@H]4Cn5c6c4c(F)ccc6ccc5=O)CC3)c2)cc1 ZINC000045302706 563186655 /nfs/dbraw/zinc/18/66/55/563186655.db2.gz QRMFMOWDZLQSJK-RUZDIDTESA-N 1 0 497.614 5.168 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045302917 563186891 /nfs/dbraw/zinc/18/68/91/563186891.db2.gz DKPJRFQOVSDKBG-HXUWFJFHSA-N 1 0 467.078 6.618 1 0 JKAFRO Nc1cccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)c1 ZINC000045302955 563186997 /nfs/dbraw/zinc/18/69/97/563186997.db2.gz HUGQKEOYKYSHET-UHFFFAOYSA-N 1 0 472.514 6.788 1 0 JKAFRO O=C(NC1CCC(CC[N@@H+]2Cc3cccc(C(F)(F)F)c3C2)CC1)c1cccc(-c2cccnc2)c1 ZINC000045303003 563187025 /nfs/dbraw/zinc/18/70/25/563187025.db2.gz CQGZSFLCONAZKH-UHFFFAOYSA-N 1 0 493.573 6.462 1 0 JKAFRO Nc1c(Cl)cc([C@@H](O)C[NH2+]CCCCCOCCCc2ccc(O)c3ncccc23)cc1Cl ZINC000045303155 563187127 /nfs/dbraw/zinc/18/71/27/563187127.db2.gz FQFGWFYORLAINK-QHCPKHFHSA-N 1 0 492.447 5.272 1 0 JKAFRO CCCc1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4ccc(OC)cc4)CC3)cc2)cc1 ZINC000045303281 563187191 /nfs/dbraw/zinc/18/71/91/563187191.db2.gz UCQWZVIOGLQPSI-UHFFFAOYSA-N 1 0 471.645 5.608 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CC[NH+](CCCNC(=O)c2cccc(Cl)c2)CC1 ZINC000045303192 563187232 /nfs/dbraw/zinc/18/72/32/563187232.db2.gz YHXULHHCXJVZIC-SOFGYWHQSA-N 1 0 494.850 5.061 1 0 JKAFRO COc1ccc(C[N@H+](C)CCCc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)cc1OC ZINC000045303207 563187247 /nfs/dbraw/zinc/18/72/47/563187247.db2.gz PPPTZWWEBNSOTA-UHFFFAOYSA-N 1 0 457.574 5.502 1 0 JKAFRO Cc1cccc2[nH]c(-c3cccc(-c4cccc(C(=O)N5CCCC[C@H]5C[N@@H+]5CC[C@H](O)C5)c4)c3)nc21 ZINC000045303288 563187256 /nfs/dbraw/zinc/18/72/56/563187256.db2.gz QSNZZEJFTRZQLY-SVBPBHIXSA-N 1 0 494.639 5.267 1 0 JKAFRO CC(C)[NH+]1CCN(c2c3cccc(C(F)(F)F)c3ncc2C2N=NC(=S)N2c2ccccc2)CC1 ZINC000045319153 563187837 /nfs/dbraw/zinc/18/78/37/563187837.db2.gz MSLFNANTHMAWBR-UHFFFAOYSA-N 1 0 498.578 5.320 1 0 JKAFRO CCOc1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@@H](C)CCC[NH+](CC)CC)cc1 ZINC000045322155 563188491 /nfs/dbraw/zinc/18/84/91/563188491.db2.gz JVGWVQMUBLWOAG-NRFANRHFSA-N 1 0 461.046 5.657 1 0 JKAFRO O=C(Nc1cccc(Cl)c1Cl)N1CCc2cc3nccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000045322822 563188640 /nfs/dbraw/zinc/18/86/40/563188640.db2.gz WPANHXQLLDAOAP-KRWDZBQOSA-N 1 0 482.415 5.421 1 0 JKAFRO CC(=O)Nc1ccc(C[NH2+]CCc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000045322997 563188671 /nfs/dbraw/zinc/18/86/71/563188671.db2.gz GRHHGECTJJKMQW-UHFFFAOYSA-N 1 0 456.373 5.536 1 0 JKAFRO O=C(NCc1ccc(Cl)cc1)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cc1 ZINC000045323068 563188761 /nfs/dbraw/zinc/18/87/61/563188761.db2.gz KFWXDCRBGWHEFJ-VWLOTQADSA-N 1 0 468.041 5.045 1 0 JKAFRO S=C(Nc1ccccc1Cl)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045323541 563188912 /nfs/dbraw/zinc/18/89/12/563188912.db2.gz AXGXNCFFXNEJAM-UHFFFAOYSA-N 1 0 481.109 6.546 1 0 JKAFRO O=c1cc(NCCC[NH2+]Cc2ccc(Cl)c(Cl)c2)[nH]c2ccc(Oc3ccccc3)cc12 ZINC000045323987 563189030 /nfs/dbraw/zinc/18/90/30/563189030.db2.gz GLUQODBXLCHMAW-UHFFFAOYSA-N 1 0 468.384 6.219 1 0 JKAFRO O=C(NCCC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000045324315 563189146 /nfs/dbraw/zinc/18/91/46/563189146.db2.gz JWBFXPNAGBDYGK-UHFFFAOYSA-N 1 0 459.421 5.941 1 0 JKAFRO C[N@H+](CCCc1c[nH]c2ccccc12)CC1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000045324306 563189174 /nfs/dbraw/zinc/18/91/74/563189174.db2.gz DJHCGSCTWUZXKM-PKNBQFBNSA-N 1 0 484.471 6.291 1 0 JKAFRO O=C(/C=C/c1c[nH]c2ccccc12)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000045324846 563189229 /nfs/dbraw/zinc/18/92/29/563189229.db2.gz FKYHKZKPZMYIHJ-OUKQBFOZSA-N 1 0 454.618 5.829 1 0 JKAFRO CC[NH+](CC)CCCN(C(=O)Nc1cc(F)cc(F)c1)c1nc(-c2ccc(F)cc2)cs1 ZINC000045334333 563189396 /nfs/dbraw/zinc/18/93/96/563189396.db2.gz LRURBAXCKDLEGY-UHFFFAOYSA-N 1 0 462.541 5.998 1 0 JKAFRO COc1ccc(C(=O)[C@H]2C[C@@H]2C[N@H+]2CC=C(c3c[nH]c4cccc(Br)c43)CC2)cc1 ZINC000045334627 563189442 /nfs/dbraw/zinc/18/94/42/563189442.db2.gz KCWXRCHMZWEHEO-QUCCMNQESA-N 1 0 465.391 5.547 1 0 JKAFRO Fc1cc(Cl)ccc1Nc1ccnc2cc(-c3ccc(C[NH+]4CCSCC4)o3)ccc21 ZINC000045334458 563189447 /nfs/dbraw/zinc/18/94/47/563189447.db2.gz DCBHWWOUFJQREB-UHFFFAOYSA-N 1 0 453.970 6.580 1 0 JKAFRO COc1ccccc1-c1cccc(C[NH2+]C2CCN(C[C@H]3Cn4c5c3c(F)ccc5ccc4=O)CC2)c1 ZINC000045334746 563189574 /nfs/dbraw/zinc/18/95/74/563189574.db2.gz JYEWLJOBIFSEEF-DEOSSOPVSA-N 1 0 497.614 5.168 1 0 JKAFRO O=C(Nc1cccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045334858 563189793 /nfs/dbraw/zinc/18/97/93/563189793.db2.gz DJCCXCJAYLFKJA-UHFFFAOYSA-N 1 0 486.418 6.093 1 0 JKAFRO Cc1cc(NS(=O)(=O)c2cccc([C@H](C)N3CCC([NH+]4CCCC4)CC3)c2)ccc1C(C)C ZINC000045335161 563189918 /nfs/dbraw/zinc/18/99/18/563189918.db2.gz OTPODGZSHMTCLX-QFIPXVFZSA-N 1 0 469.695 5.540 1 0 JKAFRO C[C@H]1C[C@@H]([NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c2c1c(Cl)cc(Cl)c2Cl ZINC000045335328 563190024 /nfs/dbraw/zinc/19/00/24/563190024.db2.gz CTPVOQBGROMYPN-YVEFUNNKSA-N 1 0 450.797 6.128 1 0 JKAFRO CCCCCCNC(=O)[C@H]1Cc2c3cc(F)ccc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000045335582 563190055 /nfs/dbraw/zinc/19/00/55/563190055.db2.gz YKSIZDKRNXLLNN-AREMUKBSSA-N 1 0 476.640 5.009 1 0 JKAFRO C[NH+](C)CCCOc1ccc2c(c1)CCn1nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c1N2 ZINC000045336744 563190345 /nfs/dbraw/zinc/19/03/45/563190345.db2.gz ZAWMBWLIWNRTGK-UHFFFAOYSA-N 1 0 497.599 5.072 1 0 JKAFRO O=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000045337835 563190604 /nfs/dbraw/zinc/19/06/04/563190604.db2.gz IHVPWTOXMGFTHX-UHFFFAOYSA-N 1 0 472.555 6.358 1 0 JKAFRO COC(=O)c1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)c1 ZINC000045339317 563191082 /nfs/dbraw/zinc/19/10/82/563191082.db2.gz RPKGMNGPEPYNNX-UHFFFAOYSA-N 1 0 453.567 6.035 1 0 JKAFRO NC(=[NH2+])Cc1c(C(=O)NCc2ccc(F)cc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000045350145 563191643 /nfs/dbraw/zinc/19/16/43/563191643.db2.gz ILPZCGQJSUUWOC-UHFFFAOYSA-N 1 0 496.373 5.394 1 0 JKAFRO COC(=O)CC[C@H](Oc1cccc(-c2ccc3sc(C(N)=[NH2+])cc3c2)c1)c1ccc(Cl)cc1 ZINC000045355683 563192327 /nfs/dbraw/zinc/19/23/27/563192327.db2.gz TUCPVCINIMFUMB-QFIPXVFZSA-N 1 0 479.001 6.579 1 0 JKAFRO C[NH2+]Cc1ccccc1NC(=O)OC[C@@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045365765 563193007 /nfs/dbraw/zinc/19/30/07/563193007.db2.gz ANMPAJKPHPHBMW-JOCHJYFZSA-N 1 0 474.586 5.274 1 0 JKAFRO COC(=O)C[C@@H](Oc1cccc(-c2ccc3sc(C(N)=[NH2+])cc3c2)c1)c1ccc(Cl)cc1 ZINC000045367473 563193248 /nfs/dbraw/zinc/19/32/48/563193248.db2.gz OWPDWZYDCXEQLL-OAQYLSRUSA-N 1 0 464.974 6.189 1 0 JKAFRO O=C1NCc2ccc3c(c21)C[C@@H]([N@H+](CCCc1c[nH]c2ccc(F)cc12)CC1CCCCC1)CO3 ZINC000045385204 563194402 /nfs/dbraw/zinc/19/44/02/563194402.db2.gz YSSIIPYBUIAJAO-HSZRJFAPSA-N 1 0 475.608 5.369 1 0 JKAFRO O=C(NC1CC1)c1ccc(F)c2c1C[C@@H]([N@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000045484544 563195339 /nfs/dbraw/zinc/19/53/39/563195339.db2.gz KFSYSSDWPKWGAJ-OAQYLSRUSA-N 1 0 479.571 5.129 1 0 in-vitro JKAFRO NC(=O)CN1CCC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000045484344 563195366 /nfs/dbraw/zinc/19/53/66/563195366.db2.gz YYNGEANNJVAPBS-URYVUTJFSA-N 1 0 486.487 5.439 1 0 JKAFRO COc1cc(-c2nc3cc(-c4nc5cc(C(N)=[NH2+])ccc5[nH]4)ccc3[nH]2)ccc1OCc1ccccc1 ZINC000045496503 563195699 /nfs/dbraw/zinc/19/56/99/563195699.db2.gz FQSAUVUNRPDDRK-UHFFFAOYSA-N 1 0 488.551 5.645 1 0 JKAFRO COc1ccc(CCC[NH+]2CCC(N(CCc3ccc(Cl)cc3)C(=O)c3ccccc3)CC2)cc1 ZINC000045497082 563195945 /nfs/dbraw/zinc/19/59/45/563195945.db2.gz FEIPOPDWQMTEKS-UHFFFAOYSA-N 1 0 491.075 6.131 1 0 JKAFRO c1ccc(-c2cccc(OCC[NH2+]C[C@@H]3COC(c4ccccc4)(c4ccccc4)O3)c2)cc1 ZINC000049015642 563197272 /nfs/dbraw/zinc/19/72/72/563197272.db2.gz YMKDCAYLGKAORC-GDLZYMKVSA-N 1 0 451.566 5.639 1 0 JKAFRO O=C(Nc1ccc(Cl)cc1)c1cc(N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000049034523 563198433 /nfs/dbraw/zinc/19/84/33/563198433.db2.gz VIDKVENUCXDESC-UHFFFAOYSA-N 1 0 451.920 5.676 1 0 JKAFRO O=C(Nc1cc(N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000049047097 563199535 /nfs/dbraw/zinc/19/95/35/563199535.db2.gz SICRXINMTYWPHY-UHFFFAOYSA-N 1 0 485.472 6.041 1 0 JKAFRO O=C(NCc1cccc(C(F)(F)F)c1)c1cc(N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000049046984 563199536 /nfs/dbraw/zinc/19/95/36/563199536.db2.gz RKQXSKRXNXFWHS-UHFFFAOYSA-N 1 0 499.499 5.719 1 0 JKAFRO Oc1ccc(C[NH+](Cc2ccc(O)c3ncccc23)Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000049053464 563200293 /nfs/dbraw/zinc/20/02/93/563200293.db2.gz MXHCDEPUZBHJHG-UHFFFAOYSA-N 1 0 488.547 5.650 1 0 JKAFRO Oc1ccc2c(c1)O[C@@H](c1ccc(OCCC[NH+]3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000049053415 563200308 /nfs/dbraw/zinc/20/03/08/563200308.db2.gz YLXFTHBZFPHABL-HKBQPEDESA-N 1 0 499.607 6.180 1 0 JKAFRO CCCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3C)CC2)cc1-c1ccccc1 ZINC000049054304 563200381 /nfs/dbraw/zinc/20/03/81/563200381.db2.gz FBBKGMWMRVADFV-UHFFFAOYSA-N 1 0 472.677 5.432 1 0 JKAFRO COc1cccc(N2CC[NH+](C[C@@H](O)CO[C@@H](c3ccccc3)c3cccc4ccccc43)CC2)c1 ZINC000049054144 563200408 /nfs/dbraw/zinc/20/04/08/563200408.db2.gz XBKCDFABLBETPL-JOMNFKBKSA-N 1 0 482.624 5.138 1 0 JKAFRO CCC[N@H+](CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C ZINC000049066915 563200739 /nfs/dbraw/zinc/20/07/39/563200739.db2.gz WQKLPFKTOJXMOI-UHFFFAOYSA-N 1 0 484.610 6.824 1 0 JKAFRO O=C(NCc1ccccc1)N(c1ccc(Br)cc1)C1CC[NH+](C2CCCC2)CC1 ZINC000049068676 563200998 /nfs/dbraw/zinc/20/09/98/563200998.db2.gz DLEHGKOYLBSEGL-UHFFFAOYSA-N 1 0 456.428 5.572 1 0 JKAFRO CCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1-c1ccccc1 ZINC000049089180 563201816 /nfs/dbraw/zinc/20/18/16/563201816.db2.gz IGUHNGAQSVMCOM-UHFFFAOYSA-N 1 0 465.041 5.079 1 0 JKAFRO COc1cccc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@@H]4C[C@H]3C[N@@H+]4C)cc2)c1 ZINC000049089190 563201829 /nfs/dbraw/zinc/20/18/29/563201829.db2.gz XGUFURVFQMAHHN-DQEYMECFSA-N 1 0 488.595 5.027 1 0 JKAFRO CCC[N@H+](CCC1CC1)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000049089543 563201944 /nfs/dbraw/zinc/20/19/44/563201944.db2.gz JFQNIRPUCHLHAK-UHFFFAOYSA-N 1 0 466.979 6.735 1 0 JKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000049109617 563202161 /nfs/dbraw/zinc/20/21/61/563202161.db2.gz YBNGDFSHNFUPMT-UHFFFAOYSA-N 1 0 486.365 6.329 1 0 JKAFRO Oc1cccc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@@H]4C[C@H]3C[NH2+]4)cc2Cl)c1 ZINC000049112231 563202447 /nfs/dbraw/zinc/20/24/47/563202447.db2.gz QAIFKOURADMRAF-FPOVZHCZSA-N 1 0 494.986 5.035 1 0 JKAFRO Oc1ccc2c(c1)OCCC1=C2[C@H](c2ccc(OCC[NH+]3CCCCCC3)cc2)Oc2ccccc21 ZINC000049112759 563202526 /nfs/dbraw/zinc/20/25/26/563202526.db2.gz XGBCSOIWOMCTLG-HKBQPEDESA-N 1 0 483.608 6.474 1 0 JKAFRO Oc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000049113095 563202655 /nfs/dbraw/zinc/20/26/55/563202655.db2.gz OFYZVZJXVRFMIW-SSEXGKCCSA-N 1 0 485.580 5.790 1 0 in-vivo JKAFRO CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C=C3NC(=[NH2+])O[C@@]32C1 ZINC000049777495 563203555 /nfs/dbraw/zinc/20/35/55/563203555.db2.gz IEYPGTDHQKIHSC-UMATZJGLSA-N 1 0 484.725 6.611 1 0 JKAFRO COc1ccc(CCCCCn2cc(CC[NH3+])c3cc(OCCc4ccc(O)cc4)ccc32)cc1 ZINC000049785023 563203751 /nfs/dbraw/zinc/20/37/51/563203751.db2.gz POLXUFYBMIRDEG-UHFFFAOYSA-N 1 0 472.629 5.891 1 0 JKAFRO O[C@H](COc1ccccc1)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000049785467 563203788 /nfs/dbraw/zinc/20/37/88/563203788.db2.gz IUABQYRNMVGELB-UAQGYOMNSA-N 1 0 461.646 5.364 1 0 JKAFRO FC(F)(F)c1cccc(CNc2cc(N3CCC([NH+]4CCCC4)CC3)cc(C(F)(F)F)c2)c1 ZINC000049792589 563203885 /nfs/dbraw/zinc/20/38/85/563203885.db2.gz GYVBWXFIJBWOEN-UHFFFAOYSA-N 1 0 471.489 6.401 1 0 JKAFRO CCN(C(=O)NCc1ccccc1F)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000049918293 563204717 /nfs/dbraw/zinc/20/47/17/563204717.db2.gz XYBPWKCJZZREAZ-UHFFFAOYSA-N 1 0 473.636 6.044 1 0 JKAFRO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](CCc4ccccc4)[C@@H]2N3C)cc1 ZINC000052968932 563204825 /nfs/dbraw/zinc/20/48/25/563204825.db2.gz WKDFOVDLOVYRAJ-JDXGNMNLSA-N 1 0 469.629 6.403 1 0 in-vivo JKAFRO CC(C)Oc1ccccc1N1CC[NH+](C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 ZINC000053025953 563204998 /nfs/dbraw/zinc/20/49/98/563204998.db2.gz PIKIDBPDYRQPFX-UHFFFAOYSA-N 1 0 472.580 5.007 1 0 JKAFRO c1ccc(C[NH+](CCCCN2c3ccccc3Sc3ccccc32)Cc2ccccc2)cc1 ZINC000053156847 563205104 /nfs/dbraw/zinc/20/51/04/563205104.db2.gz DLLOPKREAQUTDD-UHFFFAOYSA-N 1 0 450.651 7.772 1 0 JKAFRO CCCc1nc(-c2ccccc2)c(C[NH2+]CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000053229092 563205265 /nfs/dbraw/zinc/20/52/65/563205265.db2.gz NFFIBKFKGDPAMA-UHFFFAOYSA-N 1 0 472.555 5.225 1 0 JKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3C[C@H]4C[C@@]4(c4ccccc4)C3)n2C)n1 ZINC000058519295 563206856 /nfs/dbraw/zinc/20/68/56/563206856.db2.gz HMMLWDCQIVJIHP-ZBLYBZFDSA-N 1 0 455.631 5.094 1 0 JKAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(-c3ccco3)c2)CCCCC1 ZINC000058523742 563206914 /nfs/dbraw/zinc/20/69/14/563206914.db2.gz KEDWPGTVUZDEGU-IZZNHLLZSA-N 1 0 482.571 5.082 1 0 JKAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(-c3cccs3)c2)CCCCC1 ZINC000058534437 563206928 /nfs/dbraw/zinc/20/69/28/563206928.db2.gz FWWAEKQHRVOHHS-IZZNHLLZSA-N 1 0 498.639 5.551 1 0 JKAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(C3CCCCC3)c2)CCCCC1 ZINC000058541068 563207142 /nfs/dbraw/zinc/20/71/42/563207142.db2.gz XEJNDOMRQVBSQN-URLMMPGGSA-N 1 0 498.658 5.870 1 0 JKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCCc3nc4ccccc4n3-c3ccc(F)cc3)CC2)c1 ZINC000058581019 563207693 /nfs/dbraw/zinc/20/76/93/563207693.db2.gz XWBYTRHYSGYXMI-UHFFFAOYSA-N 1 0 484.619 6.325 1 0 JKAFRO CC[NH+](CC)Cc1cc(-c2ccc(Cl)cc2)n(CCCNc2ccnc3cc(Cl)ccc32)c1C ZINC000058592327 563208227 /nfs/dbraw/zinc/20/82/27/563208227.db2.gz KWQNHYPHCWAJFK-UHFFFAOYSA-N 1 0 495.498 7.663 1 0 JKAFRO O=c1cc(-c2ccc(Cl)cc2Cl)ccn1-c1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000059081591 563208760 /nfs/dbraw/zinc/20/87/60/563208760.db2.gz NIAQGSGCZRZBSG-UHFFFAOYSA-N 1 0 453.373 5.257 1 0 JKAFRO COc1ccc(C[NH2+]CCCC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000059125762 563208780 /nfs/dbraw/zinc/20/87/80/563208780.db2.gz DIQYKFLHIVXEGF-GDLZYMKVSA-N 1 0 492.063 5.152 1 0 JKAFRO O=C(CCC[NH2+]Cc1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000059125760 563208811 /nfs/dbraw/zinc/20/88/11/563208811.db2.gz LPZQMTRVMZMOPU-MUUNZHRXSA-N 1 0 462.037 5.144 1 0 JKAFRO C[C@@H](Oc1cc(-n2cnc3ccc(OCCC[NH+](C)C)cc32)sc1C(N)=O)c1ccccc1Cl ZINC000059259514 563209011 /nfs/dbraw/zinc/20/90/11/563209011.db2.gz MOSNATYSIYEVTF-MRXNPFEDSA-N 1 0 499.036 5.310 1 0 JKAFRO C[C@]1(CCc2ccccc2)N=C(Nc2ccc(Cl)cc2)NC(=[NH2+])[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000059686615 563209157 /nfs/dbraw/zinc/20/91/57/563209157.db2.gz QHAVMPAHAWFUEB-RCZVLFRGSA-N 1 0 485.846 6.961 1 0 JKAFRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000059796582 563209233 /nfs/dbraw/zinc/20/92/33/563209233.db2.gz TXVNNFDXQZFMBQ-CMWZJFIZSA-N 1 0 464.993 5.915 1 0 JKAFRO O=C(CCC[NH+]1CCC2(CC1)c1ccccc1Oc1ccc(Cl)cc1C2=O)c1ccc(F)cc1 ZINC000060051809 563209431 /nfs/dbraw/zinc/20/94/31/563209431.db2.gz XQHCCUAUGDNXQV-UHFFFAOYSA-N 1 0 477.963 6.464 1 0 JKAFRO CC(C)c1ccc(S(=O)(=O)n2c3ccc(Br)cc3c3c2CC[C@@H]([NH+](C)C)C3)cc1 ZINC000060325702 563209487 /nfs/dbraw/zinc/20/94/87/563209487.db2.gz FJDBTILNQCEBQX-GOSISDBHSA-N 1 0 475.452 5.183 1 0 JKAFRO COc1ccc(C[C@@H]([NH3+])c2csc(NC(=O)NC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000061895404 563209675 /nfs/dbraw/zinc/20/96/75/563209675.db2.gz JCUOIDOEXKHXSS-JOCHJYFZSA-N 1 0 458.587 5.305 3 0 JKAFRO COc1ccc(C[C@H]([NH3+])c2csc(NC(=O)NC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000061895402 563209691 /nfs/dbraw/zinc/20/96/91/563209691.db2.gz JCUOIDOEXKHXSS-QFIPXVFZSA-N 1 0 458.587 5.305 3 0 JKAFRO Cc1ccc([C@H](NC(=O)C2CC[NH+](Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccn2)cc1 ZINC000061902258 563209944 /nfs/dbraw/zinc/20/99/44/563209944.db2.gz FEPYGJAUZYZFGM-HKBQPEDESA-N 1 0 491.635 6.300 3 0 JKAFRO O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000061903319 563210059 /nfs/dbraw/zinc/21/00/59/563210059.db2.gz GOBDRPLPPPTFDD-QHCPKHFHSA-N 1 0 459.442 6.173 3 0 JKAFRO Cc1cccnc1[C@@H](NC(=O)C1CC[NH+](Cc2ccc3ccccc3n2)CC1)c1ccc(Cl)cc1 ZINC000061905551 563210368 /nfs/dbraw/zinc/21/03/68/563210368.db2.gz GZFZOISGFAEDKV-NDEPHWFRSA-N 1 0 485.031 5.709 3 0 JKAFRO COc1ccccc1[C@@H](NC(=O)C1CC[NH+](CCOc2ccc3ccccc3c2)CC1)c1ccccn1 ZINC000061906512 563210488 /nfs/dbraw/zinc/21/04/88/563210488.db2.gz SVBACIABTPBUKV-SSEXGKCCSA-N 1 0 495.623 5.240 3 0 JKAFRO COc1cc(NC(=O)Nc2nc([C@@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)cs2)cc(OC)c1OC ZINC000061907127 563210545 /nfs/dbraw/zinc/21/05/45/563210545.db2.gz GQHGCXPQNXAETL-HNNXBMFYSA-N 1 0 496.511 5.074 3 0 JKAFRO COc1ccc(OCC[NH+]2CCC(C(=O)N[C@@H](c3ccsc3)c3ccccc3C)CC2)cc1 ZINC000061907416 563210661 /nfs/dbraw/zinc/21/06/61/563210661.db2.gz CXNWGEMAATUFHP-SANMLTNESA-N 1 0 464.631 5.062 3 0 JKAFRO Cc1ccccc1[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccsc1 ZINC000061908031 563210725 /nfs/dbraw/zinc/21/07/25/563210725.db2.gz KVMXCFHMVFEEJZ-PMERELPUSA-N 1 0 496.676 6.967 3 0 JKAFRO O=C(NCC1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1[N@@H+]2Cc1ccco1)c1cccs1 ZINC000061921174 563210896 /nfs/dbraw/zinc/21/08/96/563210896.db2.gz DZDUDDULWXOYFO-BKMJKUGQSA-N 1 0 454.595 6.115 3 0 JKAFRO Cc1ncoc1C(=O)NCC1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1[N@@H+]2Cc1ccco1 ZINC000061921157 563210936 /nfs/dbraw/zinc/21/09/36/563210936.db2.gz IRYBBHZILGHUHN-BKMJKUGQSA-N 1 0 453.542 5.350 3 0 JKAFRO CC(C)(CC1CC1)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101395206 581091939 /nfs/dbraw/zinc/09/19/39/581091939.db2.gz IRPYMAQUPRZZML-MUAVYFROSA-N 1 0 494.639 6.041 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4cccnc4)c3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823512 581100625 /nfs/dbraw/zinc/10/06/25/581100625.db2.gz VZLIWRWKVADZIQ-NQSHAFDCSA-N 1 0 490.603 6.533 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4ccccc4)c3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823490 581100717 /nfs/dbraw/zinc/10/07/17/581100717.db2.gz DDLPDJJVTVQHQU-ZRXRSDKNSA-N 1 0 489.615 7.138 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(-c4ccccc4)cc3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823529 581100723 /nfs/dbraw/zinc/10/07/23/581100723.db2.gz ZBMDLEOBRDEIKO-ISFOTYDXSA-N 1 0 489.615 7.138 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4cccnc4)c3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823509 581100748 /nfs/dbraw/zinc/10/07/48/581100748.db2.gz VZLIWRWKVADZIQ-DVVQLAPNSA-N 1 0 490.603 6.533 1 0 JKAFRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1c2ccccc2n(C)c1-c1ccc(Br)cc1 ZINC000012417641 291565133 /nfs/dbraw/zinc/56/51/33/291565133.db2.gz KQABFIQZLRXPKN-UTSGNWPNSA-N 1 0 484.458 5.899 3 0 JKAFRO C[C@@]12CCC[C@@H]3C[C@@]([C@@H]4C[C@H](Cc5ccc(N)nc5)CC5(CCCC5)C4)(C[C@@]([NH3+])(CCO)[C@@H]31)O2 ZINC000085543148 291595516 /nfs/dbraw/zinc/59/55/16/291595516.db2.gz QHSZHCXVLYZYGD-IHQNTPSRSA-N 1 0 467.698 5.001 1 0 biogenic,in-vitro JKAFRO C[C@]1(C2CCCCC2)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@]([NH3+])(CCO)C2 ZINC000085543229 291599136 /nfs/dbraw/zinc/59/91/36/291599136.db2.gz UQZFOOOPVCMJNK-PRNOSMEDSA-N 1 0 455.687 5.001 1 0 biogenic,in-vitro JKAFRO CCCCC[C@H](O)C[C@@H](CCc1ccc(O)c(O[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1)OC(C)=O ZINC000085628463 560068633 /nfs/dbraw/zinc/06/86/33/560068633.db2.gz JCWCEGBSICXXLT-JUDWXZBOSA-N 1 0 497.676 5.330 1 0 biogenic,in-vitro JKAFRO CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@H]4C=C5C(=O)O/C(=C\C[C@H](C)C[NH2+]C)[C@@]5(CC4)[C@@H]32)CCCC1 ZINC000085571236 560069826 /nfs/dbraw/zinc/06/98/26/560069826.db2.gz IRFHMBPNQGOCRF-RHGHKWLSSA-N 1 0 477.645 5.743 1 0 biogenic,in-vitro JKAFRO CC(C)CC[C@H]1C[C@@H](Cc2ccc(N)nc2)C[C@@H]([C@@]23CC[C@@H](C(C)(C)O2)[C@@]([NH3+])(CCO)C3)C1 ZINC000085543260 560071003 /nfs/dbraw/zinc/07/10/03/560071003.db2.gz CISBFBIUENMTNI-IRAFHZQZSA-N 1 0 457.703 5.103 1 0 biogenic,in-vitro JKAFRO C[NH+]1CCC(c2c[nH]c3ccc(NC(=O)Nc4ccc(-c5ccncc5)c(Cl)c4Cl)cc32)CC1 ZINC000000582538 562918022 /nfs/dbraw/zinc/91/80/22/562918022.db2.gz YLDORFSTFAQNIC-UHFFFAOYSA-N 1 0 494.426 6.990 1 0 JKAFRO C[N@H+]1CC=C(c2csc3ccc(NC(=O)Nc4ccc(-c5ccncc5)c5ccccc45)cc32)CC1 ZINC000000582559 562918037 /nfs/dbraw/zinc/91/80/37/562918037.db2.gz AWQPXVWSIGFFCL-UHFFFAOYSA-N 1 0 490.632 7.479 1 0 JKAFRO COc1ccc(CC[NH+]2CCC(C(=O)c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000000597336 562918280 /nfs/dbraw/zinc/91/82/80/562918280.db2.gz DIPBPGRFGZKMEF-UHFFFAOYSA-N 1 0 471.576 5.370 1 0 in-vivo JKAFRO CCC(=O)Oc1cccc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000000607377 562918701 /nfs/dbraw/zinc/91/87/01/562918701.db2.gz XUJLVUCHTATJQH-NVQXNPDNSA-N 1 0 489.443 5.462 1 0 JKAFRO Fc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)cc1 ZINC000001542666 562920832 /nfs/dbraw/zinc/92/08/32/562920832.db2.gz NRZHEKZOMMPQDG-WDYNHAJCSA-N 1 0 468.591 7.552 1 0 JKAFRO CCCC(=O)c1cnc2c(OCCC[N@H+](C)Cc3ccccc3)cccc2c1Nc1ccccc1C ZINC000001541164 562920913 /nfs/dbraw/zinc/92/09/13/562920913.db2.gz WLZLPWBTCBRFBI-UHFFFAOYSA-N 1 0 481.640 7.171 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccsc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000001545575 562921072 /nfs/dbraw/zinc/92/10/72/562921072.db2.gz KEKHZWOZKXXXOM-UHFFFAOYSA-N 1 0 463.624 6.431 1 0 JKAFRO CCCCCC1(CCCCC)[NH2+][C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3ccccc3[nH]c21 ZINC000001907773 562924080 /nfs/dbraw/zinc/92/40/80/562924080.db2.gz DGSMSHNIDMODOQ-SANMLTNESA-N 1 0 454.662 7.801 1 0 JKAFRO COc1cc(C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)ccc1-c1cc2cc(Cl)c(Cl)cc2[nH]1 ZINC000002007334 562924450 /nfs/dbraw/zinc/92/44/50/562924450.db2.gz VSFGXJYLNSTQIV-UHFFFAOYSA-N 1 0 488.459 6.532 1 0 JKAFRO Cc1c(C(=O)c2ncccc2C(F)(F)F)oc2cccc(OCCC[NH2+]Cc3cccnc3)c12 ZINC000003588093 562927273 /nfs/dbraw/zinc/92/72/73/562927273.db2.gz SYACSSYKRFAJOY-UHFFFAOYSA-N 1 0 469.463 5.340 1 0 JKAFRO COc1ccc(NC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)cc1N1CC[NH+](C)CC1 ZINC000003789683 562928145 /nfs/dbraw/zinc/92/81/45/562928145.db2.gz KPNDZYJBDZIKBN-UHFFFAOYSA-N 1 0 497.599 5.033 1 0 JKAFRO O=C(/C=C/c1cccnc1)NCCCC[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1 ZINC000003796912 562928324 /nfs/dbraw/zinc/92/83/24/562928324.db2.gz YXQBZUSGJUZVAB-FOCLMDBBSA-N 1 0 469.629 5.262 1 0 JKAFRO Cc1ccc(/C=C/C(=O)NCCCC[NH+]2CCC(=C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000003796905 562928332 /nfs/dbraw/zinc/92/83/32/562928332.db2.gz ZYIRZCNOOGHTJZ-WUKNDPDISA-N 1 0 465.641 5.898 1 0 JKAFRO CC(C)(C)c1ccc(OCCC[NH+]2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000003801042 562928474 /nfs/dbraw/zinc/92/84/74/562928474.db2.gz ANPYHBQRFSDIPQ-UHFFFAOYSA-N 1 0 477.639 7.575 1 0 JKAFRO COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000003809877 562928668 /nfs/dbraw/zinc/92/86/68/562928668.db2.gz RQXJVDYSRNWVNF-RUZDIDTESA-N 1 0 467.635 5.058 1 0 JKAFRO Cn1c2cc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O ZINC000003815493 562928904 /nfs/dbraw/zinc/92/89/04/562928904.db2.gz GMKQAXFNIGTRDK-UHFFFAOYSA-N 1 0 494.426 5.403 1 0 JKAFRO Cc1ccc(COC(=O)c2ccc(-c3ccc(OC(=O)c4ccc(CNC(N)=[NH2+])cc4)cc3)cc2)cc1 ZINC000003816607 562928971 /nfs/dbraw/zinc/92/89/71/562928971.db2.gz MKDFEVMHDMGMST-UHFFFAOYSA-N 1 0 493.563 5.221 1 0 JKAFRO Oc1ccc2c(ccc3c2[C@H](c2ccc(OCC[NH+]4CCCCC4)cc2)c2c(O)cccc2C3)c1 ZINC000003948512 562930585 /nfs/dbraw/zinc/93/05/85/562930585.db2.gz BPIWCLNTNZQVRB-HKBQPEDESA-N 1 0 465.593 6.200 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000003949855 562930636 /nfs/dbraw/zinc/93/06/36/562930636.db2.gz TWZNCTCQAGRUGQ-RRPNLBNLSA-N 1 0 463.599 5.930 1 0 in-vivo JKAFRO C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)cc1)[N@@H+]1CC[C@H](C)C1 ZINC000003948749 562930677 /nfs/dbraw/zinc/93/06/77/562930677.db2.gz WGYZSJCMDOXKNM-WYNHLRBOSA-N 1 0 491.603 6.367 1 0 JKAFRO Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC([NH+]2CCCC2)CC1 ZINC000003950284 562930686 /nfs/dbraw/zinc/93/06/86/562930686.db2.gz ZHTVWJDQZBBZHV-UHFFFAOYSA-N 1 0 467.617 5.839 1 0 JKAFRO COc1ccc(C(=O)N2CCC3(CC2)CC[NH+](C(c2ccccc2)c2ccccc2)CC3)cc1 ZINC000003955758 562930793 /nfs/dbraw/zinc/93/07/93/562930793.db2.gz AMUICTNOQMUHHP-UHFFFAOYSA-N 1 0 454.614 5.803 1 0 JKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CC[NH+](Cc1ccncc1)CC2 ZINC000003955894 562930828 /nfs/dbraw/zinc/93/08/28/562930828.db2.gz QYNHYAPAFPCACO-UHFFFAOYSA-N 1 0 485.472 5.638 1 0 JKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CCC[N@H+](Cc3nccs3)C2)CC1 ZINC000003956397 562930897 /nfs/dbraw/zinc/93/08/97/562930897.db2.gz MSHSTASJAVGPLT-UHFFFAOYSA-N 1 0 491.501 5.699 1 0 JKAFRO CN(C)C(=O)c1ccc2c(c1)C(=C(Nc1ccc(C[NH+]3CCCCC3)cc1)c1ccccc1)C(=O)N2 ZINC000003962253 562931067 /nfs/dbraw/zinc/93/10/67/562931067.db2.gz ZSYCMROIKWLLQN-DQSJHHFOSA-N 1 0 480.612 5.307 1 0 JKAFRO O=C1Nc2ccccc2[C@@H](c2ccccc2)N1C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000003991067 562931713 /nfs/dbraw/zinc/93/17/13/562931713.db2.gz IJUMFEAYOMCXAQ-RUZDIDTESA-N 1 0 481.518 6.187 1 0 in-man JKAFRO CC(C)n1cnc2c1nc(N[C@@H]1CCCC[C@@H]1[NH3+])nc2NCc1ccc(-c2ccccc2)cc1 ZINC000003993787 562931756 /nfs/dbraw/zinc/93/17/56/562931756.db2.gz RADYJKOHWIIBNB-XZOQPEGZSA-N 1 0 455.610 5.368 1 0 JKAFRO CC(C)C[N@@H+]1CCCC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C1 ZINC000004238027 562932834 /nfs/dbraw/zinc/93/28/34/562932834.db2.gz XYPAWFDLIFQIJN-UHFFFAOYSA-N 1 0 450.467 5.698 1 0 JKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CC[NH+](Cc1nccs1)CC2 ZINC000004238182 562932885 /nfs/dbraw/zinc/93/28/85/562932885.db2.gz WDEARNCJTGTTCC-UHFFFAOYSA-N 1 0 491.501 5.699 1 0 JKAFRO COc1ccc2[nH]cc(CCNc3ncnc4ccc(-c5ccccc5C[NH+](C)C)cc43)c2c1 ZINC000004267997 562933084 /nfs/dbraw/zinc/93/30/84/562933084.db2.gz RODBGTZRWMTJTD-UHFFFAOYSA-N 1 0 451.574 5.503 1 0 JKAFRO FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Cl)c(Cl)c1)n2C[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005596639 562934499 /nfs/dbraw/zinc/93/44/99/562934499.db2.gz UCPNERUEYRHMHX-VGOFRKELSA-N 1 0 496.404 7.217 1 0 JKAFRO CC[NH+](CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 ZINC000005833096 562935282 /nfs/dbraw/zinc/93/52/82/562935282.db2.gz SRLMLQNXERJQPS-UHFFFAOYSA-N 1 0 462.638 5.141 1 0 JKAFRO CCC[C@@H](C(=O)NC1CCCCC1)N(CCC[NH+](CC)CC)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000006501133 562937428 /nfs/dbraw/zinc/93/74/28/562937428.db2.gz QHVNLCNSYMWFAA-MHZLTWQESA-N 1 0 480.697 5.473 1 0 JKAFRO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000006577612 562937764 /nfs/dbraw/zinc/93/77/64/562937764.db2.gz PHMBDSDPJJTNFK-UWJYYQICSA-N 1 0 496.007 5.164 3 0 JKAFRO C[NH+]1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccnc3)cc2)CC1 ZINC000006733274 562938306 /nfs/dbraw/zinc/93/83/06/562938306.db2.gz SUOKPHYFCLUSQT-UHFFFAOYSA-N 1 0 469.416 5.841 1 0 JKAFRO CC(C)c1cc(F)cc2c1C[C@](CC[N@H+](C)CCCc1nc3ccccc3[nH]1)(OC(=O)C1CC1)CC2 ZINC000008034249 562938691 /nfs/dbraw/zinc/93/86/91/562938691.db2.gz SYLIICYFBKGBKE-PMERELPUSA-N 1 0 491.651 5.961 1 0 JKAFRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000008588620 562941561 /nfs/dbraw/zinc/94/15/61/562941561.db2.gz AHCKMVRJXWPBGF-OAQYLSRUSA-N 1 0 464.610 5.740 1 0 JKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](C)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000008679906 562950738 /nfs/dbraw/zinc/95/07/38/562950738.db2.gz PNFAZOIVFPADBH-YSPZNPPASA-N 1 0 491.553 6.610 3 0 JKAFRO CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4C[C@H]5O[C@]6(CC[C@H](C)C[NH2+]6)[C@H](C)[C@@H]5[C@]4(C)CC[C@@H]32)C1 ZINC000008681655 562951231 /nfs/dbraw/zinc/95/12/31/562951231.db2.gz MCQNPWNREVNWDQ-XVKPQKCPSA-N 1 0 455.683 5.858 1 0 JKAFRO Clc1ccc([C@@H]2[C@H]3C[N@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000008690097 562953672 /nfs/dbraw/zinc/95/36/72/562953672.db2.gz FEVUYPDYBLXQOV-LZXIXXJQSA-N 1 0 479.027 6.214 3 0 JKAFRO CCn1c2ccccc2c2cc(C[N@@H+]3CCOc4ccc([C@H](O)c5cccnc5)cc4C3)ccc21 ZINC000011996155 562958336 /nfs/dbraw/zinc/95/83/36/562958336.db2.gz FGRCNYDXJQYPAI-PMERELPUSA-N 1 0 463.581 5.686 1 0 JKAFRO CCn1c2ccccc2c2cc(C[N@@H+]3CCOc4ccc([C@@H](O)c5cccnc5)cc4C3)ccc21 ZINC000011996154 562958370 /nfs/dbraw/zinc/95/83/70/562958370.db2.gz FGRCNYDXJQYPAI-SSEXGKCCSA-N 1 0 463.581 5.686 1 0 JKAFRO C[C@H]1C[NH+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C[C@@H]1C ZINC000012501375 562960368 /nfs/dbraw/zinc/96/03/68/562960368.db2.gz COJFASLRENZFLP-UXHLOXSISA-N 1 0 477.626 6.032 1 0 in-vitro JKAFRO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000013131824 562961518 /nfs/dbraw/zinc/96/15/18/562961518.db2.gz PHMBDSDPJJTNFK-UTKZUKDTSA-N 1 0 496.007 5.164 3 0 JKAFRO O=C(COc1cc(F)cc(C(F)(F)F)c1)N(c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000013437317 562962498 /nfs/dbraw/zinc/96/24/98/562962498.db2.gz GNWAPQBJWVCZQD-UHFFFAOYSA-N 1 0 465.274 5.315 1 0 JKAFRO COc1ccc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)cc1F ZINC000013437560 562962482 /nfs/dbraw/zinc/96/24/82/562962482.db2.gz NIGRHRMDZYSFAZ-UHFFFAOYSA-N 1 0 481.568 5.491 1 0 JKAFRO O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000013437297 562962491 /nfs/dbraw/zinc/96/24/91/562962491.db2.gz QRSRJIUBJHILGQ-UHFFFAOYSA-N 1 0 494.863 5.537 1 0 JKAFRO O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000013437302 562962508 /nfs/dbraw/zinc/96/25/08/562962508.db2.gz YCJYRVPOLSZPTC-UHFFFAOYSA-N 1 0 480.836 5.542 1 0 JKAFRO Cc1c(COc2ccc(Br)cc2F)oc2cccc(OCCC[NH2+]Cc3cccnc3)c12 ZINC000013438510 562962611 /nfs/dbraw/zinc/96/26/11/562962611.db2.gz KNRFDGJIUZNLSO-UHFFFAOYSA-N 1 0 499.380 6.176 1 0 JKAFRO c1ccc(CCCC2CC[NH+](C[C@H]3CN4OC5(C[C@H]4[C@@H]3c3ccccc3)CCCCC5)CC2)cc1 ZINC000013439134 562962779 /nfs/dbraw/zinc/96/27/79/562962779.db2.gz SFEOCRUUVGRXGC-RWSKJCERSA-N 1 0 472.717 6.844 1 0 JKAFRO CCCC[C@H](O)[C@H]1C[C@@H](Cc2ccc(F)cc2)CC[N@@H+]1CCCNC(=O)Nc1cccc(C(C)=O)c1 ZINC000013443690 562963857 /nfs/dbraw/zinc/96/38/57/562963857.db2.gz LBZQIGRJYPPJEU-QPVYNBJUSA-N 1 0 497.655 5.414 1 0 JKAFRO C[NH+]=C1Nc2ccc(N(C)Cc3ccc(S(=O)(=O)c4ccc(OC)cc4)cc3)c3c2c1ccc3C ZINC000013450213 562964675 /nfs/dbraw/zinc/96/46/75/562964675.db2.gz KRTFQFKWHRZAPU-UHFFFAOYSA-N 1 0 485.609 5.237 1 0 JKAFRO Oc1ccc2c(c1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)c1c-2ccc2cc(O)ccc12 ZINC000013451391 562964760 /nfs/dbraw/zinc/96/47/60/562964760.db2.gz SGLLWAFQFIJSAO-LJAQVGFWSA-N 1 0 451.566 6.276 1 0 JKAFRO CCOC(=O)C1CC[NH+](CCCCCCOc2ccc3oc(-c4ccccc4)cc(=O)c3c2)CC1 ZINC000013454401 562964921 /nfs/dbraw/zinc/96/49/21/562964921.db2.gz ZXEKOBFUIBKWPJ-UHFFFAOYSA-N 1 0 477.601 5.674 1 0 JKAFRO CNC(=O)CC[N@@H+]1CCC2=C(C1)c1c(OC)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455683 562965069 /nfs/dbraw/zinc/96/50/69/562965069.db2.gz XYMXLQFWKPYRCD-FQEVSTJZSA-N 1 0 494.651 5.727 1 0 JKAFRO CNC(=O)CCC[N@@H+]1CCC2=C(C1)c1c(O)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455635 562965111 /nfs/dbraw/zinc/96/51/11/562965111.db2.gz KXVBVZCLPVOLMX-HXUWFJFHSA-N 1 0 494.651 5.814 1 0 JKAFRO O=C(Nc1ccc2c(c1)C[C@H]([NH2+]Cc1ccccc1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000013471212 562965602 /nfs/dbraw/zinc/96/56/02/562965602.db2.gz XVGZFRXMWRNZPQ-AREMUKBSSA-N 1 0 486.537 6.882 1 0 JKAFRO COc1cc2c(cc1OCCC1CC[NH+](C)CC1)ncnc2Nc1ccc(Br)cc1F ZINC000013472797 562965973 /nfs/dbraw/zinc/96/59/73/562965973.db2.gz OORQGKRPXSYBAR-UHFFFAOYSA-N 1 0 489.389 5.394 1 0 JKAFRO COc1cc2c(cc1OCC1CC[NH+](C)CC1)ncnc2Nc1c(F)cc(Br)cc1F ZINC000013472792 562965997 /nfs/dbraw/zinc/96/59/97/562965997.db2.gz KIWKXIDEBINNAK-UHFFFAOYSA-N 1 0 493.352 5.143 1 0 JKAFRO COc1cc2c(cc1OCCC1CC[NH2+]CC1)ncnc2Nc1ccc(Br)cc1F ZINC000013472798 562966019 /nfs/dbraw/zinc/96/60/19/562966019.db2.gz ZESRALQQFCOMOY-UHFFFAOYSA-N 1 0 475.362 5.052 1 0 JKAFRO Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2cccc(C(=O)N3CCCCC3)c2)c1F ZINC000013473993 562966517 /nfs/dbraw/zinc/96/65/17/562966517.db2.gz OSXDMSYVOBGVQD-UHFFFAOYSA-N 1 0 466.488 5.163 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000013474979 562966875 /nfs/dbraw/zinc/96/68/75/562966875.db2.gz PUZLCPWAFDYXST-UHFFFAOYSA-N 1 0 480.696 6.920 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Cc3ccccc3Br)CC2)CC1 ZINC000013474972 562966890 /nfs/dbraw/zinc/96/68/90/562966890.db2.gz DOECUUJDDMDCMT-UHFFFAOYSA-N 1 0 483.494 6.015 1 0 JKAFRO O=C(NCc1ccc2c(c1)OCO2)Nc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013475789 562967042 /nfs/dbraw/zinc/96/70/42/562967042.db2.gz ZJMRSKLYKCUCRF-UHFFFAOYSA-N 1 0 457.574 5.192 1 0 JKAFRO O=C(Nc1cc(F)ccc1F)Nc1ccccc1[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013475757 562967070 /nfs/dbraw/zinc/96/70/70/562967070.db2.gz XINIMAZPUMKJHH-SANMLTNESA-N 1 0 465.544 5.597 1 0 JKAFRO COc1cccc(NC(=O)Nc2cc3c(cc2C[NH+]2CCC(Cc4ccc(F)cc4)CC2)OCO3)c1 ZINC000013475836 562967165 /nfs/dbraw/zinc/96/71/65/562967165.db2.gz HWJJZMUNJJXTRC-UHFFFAOYSA-N 1 0 491.563 5.662 1 0 JKAFRO Cc1cccc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)c1 ZINC000013479354 562967473 /nfs/dbraw/zinc/96/74/73/562967473.db2.gz SYVROGQLFFWKJO-MUUNZHRXSA-N 1 0 476.686 5.669 1 0 JKAFRO COc1ccc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000013479368 562967482 /nfs/dbraw/zinc/96/74/82/562967482.db2.gz GSCLLRMDSOCVGC-HHHXNRCGSA-N 1 0 492.685 5.369 1 0 JKAFRO O=C1NCc2c(-c3ccccc3Cl)cc(C3CC[NH2+]CC3)cc2N1c1c(Cl)cccc1Cl ZINC000013487115 562967628 /nfs/dbraw/zinc/96/76/28/562967628.db2.gz OYFILJIGXDGSAR-UHFFFAOYSA-N 1 0 486.830 7.142 1 0 JKAFRO Clc1ccc(C(OCCC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000013487742 562967959 /nfs/dbraw/zinc/96/79/59/562967959.db2.gz CXZZVEASXUIQBT-VHRQIYPPSA-N 1 0 480.479 7.933 1 0 JKAFRO CCOC(=O)Nc1cc(F)ccc1C(=O)CCC[N@@H+]1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013488005 562968135 /nfs/dbraw/zinc/96/81/35/562968135.db2.gz KALVMJJXXTWNQX-GMAHTHKFSA-N 1 0 497.636 5.531 1 0 JKAFRO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)N1c2ccc(O)cc2CC[C@H]1c1cccc(O)c1 ZINC000013490107 562969204 /nfs/dbraw/zinc/96/92/04/562969204.db2.gz DSPKFOXJJPPMJT-MHZLTWQESA-N 1 0 472.585 5.297 1 0 JKAFRO CCCO[C@]12Cc3c4ccccc4n(CCC)c3[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CC1)CC[C@]532 ZINC000013492429 562969659 /nfs/dbraw/zinc/96/96/59/562969659.db2.gz SGELAAFGKGCMCT-SSHYCOHZSA-N 1 0 498.667 5.890 1 0 JKAFRO c1ccc2c(c1)nc1c(c2SCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000013492742 562969979 /nfs/dbraw/zinc/96/99/79/562969979.db2.gz RYJRQUCFOMGAHS-UHFFFAOYSA-N 1 0 481.709 7.915 1 0 JKAFRO COc1cccc(C[NH+]2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000013494205 562970489 /nfs/dbraw/zinc/97/04/89/562970489.db2.gz CBTBMXDDKMBGPY-UHFFFAOYSA-N 1 0 451.557 6.382 1 0 JKAFRO C[C@@]1(c2ccc(OCC[NH+]3CCCCCC3)cc2)c2ccc(O)cc2CCN1c1ccccc1 ZINC000013523285 562971015 /nfs/dbraw/zinc/97/10/15/562971015.db2.gz JIJPAWIWJLCFNW-SSEXGKCCSA-N 1 0 456.630 5.973 1 0 JKAFRO CC(C)c1ccc(N2CCc3cc(O)ccc3[C@]2(C)c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000013523339 562971117 /nfs/dbraw/zinc/97/11/17/562971117.db2.gz LNBPRSYIRUMTPD-HKBQPEDESA-N 1 0 470.657 6.316 1 0 JKAFRO O=C(CCc1ccccc1)c1cc(OCc2ccccc2)ccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000013529247 562972056 /nfs/dbraw/zinc/97/20/56/562972056.db2.gz YRJZDYAKHCFJLP-AREMUKBSSA-N 1 0 473.613 5.307 1 0 JKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000013529363 562972089 /nfs/dbraw/zinc/97/20/89/562972089.db2.gz FMIVAZYAYOFSEE-NDEPHWFRSA-N 1 0 479.620 5.664 1 0 JKAFRO FC(F)(F)c1ccccc1O[C@@H](CC[NH+]1CCN(c2nsc3ccccc32)CC1)c1ccccc1 ZINC000013530598 562972225 /nfs/dbraw/zinc/97/22/25/562972225.db2.gz POQLKHGYYNFQPP-QHCPKHFHSA-N 1 0 497.586 6.648 1 0 JKAFRO c1[nH]c(CCC(c2ccccc2)c2ccccc2)nc1CC[NH2+]CCCCCc1ccncc1 ZINC000013530350 562972276 /nfs/dbraw/zinc/97/22/76/562972276.db2.gz JYQVOZLMWQPQBZ-UHFFFAOYSA-N 1 0 452.646 6.115 1 0 JKAFRO CN(C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534585 562972494 /nfs/dbraw/zinc/97/24/94/562972494.db2.gz RBCQFSWWMJWSAU-SANMLTNESA-N 1 0 495.494 7.119 1 0 JKAFRO COc1cccc2sc([C@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]ccc54)[C@H](C)C3)cc21 ZINC000013535649 562972686 /nfs/dbraw/zinc/97/26/86/562972686.db2.gz CBTPCFLJYTWCHA-QYZOEREBSA-N 1 0 450.604 5.399 1 0 JKAFRO C[NH+](C)CCCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 ZINC000013537645 562972870 /nfs/dbraw/zinc/97/28/70/562972870.db2.gz YPKZZQXDAZSUPY-UHFFFAOYSA-N 1 0 474.695 7.182 1 0 JKAFRO COc1c(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(Br)c2ccccc21 ZINC000013553250 562973213 /nfs/dbraw/zinc/97/32/13/562973213.db2.gz RJZYRNTXYJEPMD-LJQANCHMSA-N 1 0 467.407 5.253 1 0 JKAFRO COc1ccc(NC(=S)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCC[N@@H+]5C)c4c3)CC2)cc1 ZINC000013553519 562973357 /nfs/dbraw/zinc/97/33/57/562973357.db2.gz FLCZAHSXGLZDRB-HSZRJFAPSA-N 1 0 460.647 5.299 1 0 JKAFRO Cc1ccnc(C)c1C(=O)N1CCC([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560304 562975229 /nfs/dbraw/zinc/97/52/29/562975229.db2.gz CAQMZXXSQMJODK-UHFFFAOYSA-N 1 0 468.645 5.606 1 0 JKAFRO CC1([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)C2CCCCC2)CC1 ZINC000013560293 562975236 /nfs/dbraw/zinc/97/52/36/562975236.db2.gz UYDAMKBCPBYUNY-UHFFFAOYSA-N 1 0 459.678 6.251 1 0 JKAFRO Cc1ccccc1C(=O)N1CCC(C)([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560290 562975240 /nfs/dbraw/zinc/97/52/40/562975240.db2.gz ZWPAONRBGWEHFB-UHFFFAOYSA-N 1 0 467.657 6.292 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560303 562975253 /nfs/dbraw/zinc/97/52/53/562975253.db2.gz KWPAQVVTTPTSTI-UHFFFAOYSA-N 1 0 467.657 6.211 1 0 JKAFRO Cc1ccnc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560299 562975259 /nfs/dbraw/zinc/97/52/59/562975259.db2.gz KFQMAIZBNWWGPO-UHFFFAOYSA-N 1 0 482.672 5.996 1 0 JKAFRO CC1([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2ccccc2)CC1 ZINC000013560291 562975289 /nfs/dbraw/zinc/97/52/89/562975289.db2.gz FMYPVSDFWPESIY-UHFFFAOYSA-N 1 0 453.630 5.984 1 0 JKAFRO COc1cccc2sc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]c(C)cc54)[C@H](C)C3)cc21 ZINC000013587180 562976872 /nfs/dbraw/zinc/97/68/72/562976872.db2.gz MBTNZOCGXGVNLT-AQNXPRMDSA-N 1 0 464.631 5.707 1 0 JKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@@H](c3cc4cccc(F)c4s3)C[C@@H]2C)[nH]1 ZINC000013587186 562976924 /nfs/dbraw/zinc/97/69/24/562976924.db2.gz LVZXIRSLFCVVQC-NSHGMRRFSA-N 1 0 452.595 5.838 1 0 JKAFRO CCC[N@@H+](Cc1sc(Nc2ccc(C(C)C)cc2Br)nc1C(F)(F)F)CC1CC1 ZINC000013587345 562977126 /nfs/dbraw/zinc/97/71/26/562977126.db2.gz IBAVUGWJVSMJLY-UHFFFAOYSA-N 1 0 490.433 7.413 1 0 JKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nccn12 ZINC000013587833 562977427 /nfs/dbraw/zinc/97/74/27/562977427.db2.gz AAAMHEXGLYVZSJ-MHZLTWQESA-N 1 0 499.405 5.840 1 0 JKAFRO COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000013613239 562979835 /nfs/dbraw/zinc/97/98/35/562979835.db2.gz LGJFJZSNTJWEAX-AOJNWGRGSA-N 1 0 453.602 5.469 1 0 JKAFRO COc1ccc(CCOc2cc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)ccc2Cl)cc1 ZINC000013643346 562980369 /nfs/dbraw/zinc/98/03/69/562980369.db2.gz UNHPOJGJLQUPNH-UHFFFAOYSA-N 1 0 480.008 5.012 1 0 JKAFRO COc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1OCCc1ccc(Cl)cc1 ZINC000013643401 562980445 /nfs/dbraw/zinc/98/04/45/562980445.db2.gz IHWQZDBTWMPDIP-UHFFFAOYSA-N 1 0 480.008 5.012 1 0 JKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(OCCc2cccc(Cl)c2)c1 ZINC000013643373 562980483 /nfs/dbraw/zinc/98/04/83/562980483.db2.gz RHJHCDDSINXMPN-UHFFFAOYSA-N 1 0 467.972 5.142 1 0 JKAFRO CCCC[NH+](CCCC)CC[C@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21 ZINC000013651507 562981666 /nfs/dbraw/zinc/98/16/66/562981666.db2.gz BKNMWNIKIDNCEX-XMMPIXPASA-N 1 0 490.692 6.064 1 0 JKAFRO Cc1ccc(O)c(NCCC[NH+]2CCC(O[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000013651778 562981712 /nfs/dbraw/zinc/98/17/12/562981712.db2.gz ZWEGPAGUJBSLSJ-NDEPHWFRSA-N 1 0 465.037 6.427 1 0 JKAFRO O[C@@H](COc1cccc2ncccc21)C[NH+]1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013652246 562981758 /nfs/dbraw/zinc/98/17/58/562981758.db2.gz PSKYDHRTQUSLQS-AREMUKBSSA-N 1 0 486.562 5.851 1 0 JKAFRO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6cccc7ccccc76)nc5c4)nc3c2)CC1 ZINC000013652038 562981786 /nfs/dbraw/zinc/98/17/86/562981786.db2.gz VLEMLDYTAYFYTJ-UHFFFAOYSA-N 1 0 458.569 5.678 1 0 JKAFRO COc1ccc([C@H](CC[N@@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc1 ZINC000013661037 562982256 /nfs/dbraw/zinc/98/22/56/562982256.db2.gz YCEJCHONGICRJP-GCJKJVERSA-N 1 0 465.590 5.381 3 0 JKAFRO CC(C)C[N@H+]1CCC(=O)N([C@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000013661685 562982366 /nfs/dbraw/zinc/98/23/66/562982366.db2.gz QJZFDTSDTBWLAC-QFIPXVFZSA-N 1 0 475.496 5.343 3 0 JKAFRO CCC[N@H+]1CCC(=O)N([C@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000013661696 562982408 /nfs/dbraw/zinc/98/24/08/562982408.db2.gz SNZNPBVJTMVVSC-NRFANRHFSA-N 1 0 461.469 5.097 3 0 JKAFRO Cc1cc(NCC[NH+](C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000013671976 562982605 /nfs/dbraw/zinc/98/26/05/562982605.db2.gz ZZOFPJLORHEXGT-IZZDOVSWSA-N 1 0 458.484 5.067 1 0 JKAFRO Cc1cc(N[C@H](C)C[NH+](C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000013671980 562982651 /nfs/dbraw/zinc/98/26/51/562982651.db2.gz VHJCFOPANRJFEX-SNQZOLJRSA-N 1 0 472.511 5.456 1 0 JKAFRO CCC1=C(c2ccc(O)cc2)[C@H](C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)c2cc(O)ccc21 ZINC000013673461 562982850 /nfs/dbraw/zinc/98/28/50/562982850.db2.gz BDMZTIOJCDWABL-SSEXGKCCSA-N 1 0 498.623 6.019 1 0 JKAFRO Cc1c(C(=O)c2ccc(I)cc2)c2ccccc2n1C[C@@H]1CCCC[N@H+]1C ZINC000013674203 562982924 /nfs/dbraw/zinc/98/29/24/562982924.db2.gz XUGCXQVKBYCHHU-IBGZPJMESA-N 1 0 472.370 5.270 1 0 JKAFRO Cc1c(C(=O)c2cccc(I)c2)c2ccccc2n1C[C@@H]1CCCC[N@H+]1C ZINC000013674199 562982950 /nfs/dbraw/zinc/98/29/50/562982950.db2.gz NPMAIGLJNFICKY-IBGZPJMESA-N 1 0 472.370 5.270 1 0 JKAFRO COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)c2c1 ZINC000013679420 562984029 /nfs/dbraw/zinc/98/40/29/562984029.db2.gz NNXPYYPDXHQYMI-UHFFFAOYSA-N 1 0 498.671 6.325 1 0 JKAFRO O=C(CCCCCNc1c2c([nH+]c3cccc(Cl)c31)CCCC2)NCCc1c[nH]c2ccccc12 ZINC000013679413 562984041 /nfs/dbraw/zinc/98/40/41/562984041.db2.gz SZRNKXYBFFECAE-UHFFFAOYSA-N 1 0 489.063 6.580 1 0 JKAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1ccccc1OCc1ccccc1 ZINC000013679971 562984095 /nfs/dbraw/zinc/98/40/95/562984095.db2.gz BZYCJZFLTTYKQH-UHFFFAOYSA-N 1 0 454.614 5.366 1 0 JKAFRO Oc1ccc2c(ccc3c2[C@@H](c2ccc(OCC[NH+]4CCCCC4)cc2)Oc2c(F)cc(F)cc2-3)c1 ZINC000013679922 562984122 /nfs/dbraw/zinc/98/41/22/562984122.db2.gz AKRKKOYYGGSJRD-GDLZYMKVSA-N 1 0 487.546 6.837 1 0 JKAFRO O[C@@H](Cc1ccccc1)C[NH+]1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013683637 562984250 /nfs/dbraw/zinc/98/42/50/562984250.db2.gz IOHMPGOLUJWSJA-NDEPHWFRSA-N 1 0 465.584 5.777 1 0 JKAFRO Fc1ccc(C(OCCC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000013683692 562984257 /nfs/dbraw/zinc/98/42/57/562984257.db2.gz OKMFPHWGPZHZKX-WNJJXGMVSA-N 1 0 461.596 6.977 1 0 JKAFRO O[C@H](CC[NH+]1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000013683671 562984287 /nfs/dbraw/zinc/98/42/87/562984287.db2.gz YYESVHWSLYRIMX-MUUNZHRXSA-N 1 0 465.584 6.297 1 0 JKAFRO Cc1ccc2c(C3CC[NH+](CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccc(Cl)cc3)c2c1 ZINC000013731180 562985213 /nfs/dbraw/zinc/98/52/13/562985213.db2.gz QMJKMWYSEUGRLA-UHFFFAOYSA-N 1 0 479.068 5.918 1 0 JKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)NCC[NH2+]C1(c2cc3ccccc3s2)CCCCC1 ZINC000013732138 562985304 /nfs/dbraw/zinc/98/53/04/562985304.db2.gz IMOFPVTXJUGLJF-UHFFFAOYSA-N 1 0 461.458 6.316 1 0 JKAFRO O=C(CCC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1)CCCC2 ZINC000013737859 562986264 /nfs/dbraw/zinc/98/62/64/562986264.db2.gz PRULHOMNCDTENF-UHFFFAOYSA-N 1 0 466.669 6.905 1 0 JKAFRO CN(CCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1)C(=O)c1nsc2ccccc21 ZINC000013737886 562986266 /nfs/dbraw/zinc/98/62/66/562986266.db2.gz RRJGHQGFXIURME-UHFFFAOYSA-N 1 0 466.582 5.308 1 0 JKAFRO CCCCc1ccc(/C(=C(\CC)c2ccccc2)c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000013740239 562986694 /nfs/dbraw/zinc/98/66/94/562986694.db2.gz GWLXUXBCLJMLLM-MVJHLKBCSA-N 1 0 453.670 7.873 1 0 JKAFRO CCCCCCC(=O)c1cc2c(CC[NH+]3CCN(c4cc(C)ccn4)CC3)c(C)n3c2c(c1)CCC3 ZINC000013740433 562986791 /nfs/dbraw/zinc/98/67/91/562986791.db2.gz HKELYNHHNGOUBM-UHFFFAOYSA-N 1 0 486.704 6.117 1 0 JKAFRO FC(F)(F)c1cccc(CO[C@@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000013740664 562986893 /nfs/dbraw/zinc/98/68/93/562986893.db2.gz FWWHAAGOCFCRFY-KAYWLYCHSA-N 1 0 451.532 6.517 1 0 JKAFRO COc1cc(Br)ccc1OCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000013740870 562986958 /nfs/dbraw/zinc/98/69/58/562986958.db2.gz YHSBVXZDWKZHDZ-UHFFFAOYSA-N 1 0 463.347 5.387 1 0 JKAFRO COc1cc2c(cc1OCCC[NH+]1CCC(c3noc4cc(F)ccc43)CC1)CCCC2=O ZINC000013740884 562986987 /nfs/dbraw/zinc/98/69/87/562986987.db2.gz CQTCGHFYKNNGHV-UHFFFAOYSA-N 1 0 452.526 5.143 1 0 JKAFRO Cc1cc(OCCC[NH+](C)C)ccc1NC(=O)c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013741302 562987016 /nfs/dbraw/zinc/98/70/16/562987016.db2.gz JKVXRNIYLYQDFJ-UHFFFAOYSA-N 1 0 450.966 5.462 1 0 JKAFRO O=C(Nc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCCC3)c3ccccc32)cc1)c1ccccc1Cl ZINC000013758007 562988926 /nfs/dbraw/zinc/98/89/26/562988926.db2.gz PMSNZJVELGXKFG-AREMUKBSSA-N 1 0 488.031 6.560 1 0 JKAFRO CC(C)N1CCN(CC[N@H+](C)CCc2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O ZINC000013758601 562989003 /nfs/dbraw/zinc/98/90/03/562989003.db2.gz NGNPLUIBWZYBFY-UHFFFAOYSA-N 1 0 456.993 5.043 1 0 JKAFRO Clc1ccc(C[NH+]2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000013760752 562989556 /nfs/dbraw/zinc/98/95/56/562989556.db2.gz XFJVVTCIRLBYRY-UHFFFAOYSA-N 1 0 454.441 7.402 1 0 JKAFRO Cn1c2ccccc2c(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)c1COc1ccc(Cl)cc1 ZINC000013766336 562990728 /nfs/dbraw/zinc/99/07/28/562990728.db2.gz GMNSKOPBGHCMQS-UHFFFAOYSA-N 1 0 494.035 5.070 1 0 JKAFRO CC[NH+](CC)CCOc1ccc([C@H]2Oc3cc(O)ccc3-c3sc4cc(O)ccc4c32)cc1 ZINC000013779331 562991384 /nfs/dbraw/zinc/99/13/84/562991384.db2.gz RRXRFYCVBYZMBU-AREMUKBSSA-N 1 0 461.583 6.182 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2ccccc2-1 ZINC000013779327 562991410 /nfs/dbraw/zinc/99/14/10/562991410.db2.gz CDLTVDHDPPXVPQ-HHHXNRCGSA-N 1 0 457.595 6.620 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2CC2CCCCC2)c1 ZINC000013781119 562992053 /nfs/dbraw/zinc/99/20/53/562992053.db2.gz CPKCVXZPCSJVIT-WUFINQPMSA-N 1 0 469.673 6.585 1 0 JKAFRO C[NH+](C)[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 ZINC000013781127 562992090 /nfs/dbraw/zinc/99/20/90/562992090.db2.gz ODIRSXXUXPPURF-HSZRJFAPSA-N 1 0 481.480 7.003 1 0 JKAFRO C[C@H]1C[N@H+](C[C@@H](NC(=O)CCc2ccc(O)cc2)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 ZINC000013782403 562992507 /nfs/dbraw/zinc/99/25/07/562992507.db2.gz DUXFPSHFWAWGFG-JWCTUAFDSA-N 1 0 478.677 5.395 1 0 JKAFRO O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000013782644 562992640 /nfs/dbraw/zinc/99/26/40/562992640.db2.gz KPSUCSFDXUGYRG-UHFFFAOYSA-N 1 0 498.026 5.094 1 0 JKAFRO CCC[NH+](CCC)CCc1cc(Br)cc(Br)c1OCCc1ccccc1 ZINC000013795754 562993161 /nfs/dbraw/zinc/99/31/61/562993161.db2.gz TXETYTQTVHANFD-UHFFFAOYSA-N 1 0 483.288 6.498 1 0 JKAFRO O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819439 562997260 /nfs/dbraw/zinc/99/72/60/562997260.db2.gz HIHMSQGASZUHDX-FRXPANAUSA-N 1 0 474.689 5.690 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1c(OC)cc(-c2cn3cccc(C)c3n2)cc1OC ZINC000013819560 562997282 /nfs/dbraw/zinc/99/72/82/562997282.db2.gz UBOYLMALSDHCFO-UHFFFAOYSA-N 1 0 453.627 5.998 1 0 JKAFRO Cc1ccc2c(c1)[C@H](NC(=O)CCC[NH+]1CCN(c3ccc(F)cc3)CC1)[C@@H]1CCCC[C@H]1CS2 ZINC000013820104 562997350 /nfs/dbraw/zinc/99/73/50/562997350.db2.gz HZXRXKYEWBFEDP-OMRWSRCMSA-N 1 0 495.708 5.806 1 0 JKAFRO O=C(CCCC[NH+]1CCN(c2ccc(F)cc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000013820591 562997519 /nfs/dbraw/zinc/99/75/19/562997519.db2.gz DYMSWAIKTQBIRC-LJAQVGFWSA-N 1 0 489.660 5.630 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000013820558 562997550 /nfs/dbraw/zinc/99/75/50/562997550.db2.gz PVJCUYTVYYLXGG-MUUNZHRXSA-N 1 0 492.088 5.754 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@H](c2ccc(F)cc2)C2CCCCC2)CC1 ZINC000013824909 562998186 /nfs/dbraw/zinc/99/81/86/562998186.db2.gz VRQQRENDQSWBNX-PMERELPUSA-N 1 0 481.652 6.882 1 0 JKAFRO COc1cc(OCCC[NH+]2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1C(C)=O ZINC000013824959 562998189 /nfs/dbraw/zinc/99/81/89/562998189.db2.gz FKRCUXNEGDSKAA-UHFFFAOYSA-N 1 0 493.594 6.489 1 0 JKAFRO Fc1ccc(C(c2ccc(F)cc2)C2CC[NH+](CCCOc3ccc4ccccc4c3)CC2)cc1 ZINC000013824982 562998317 /nfs/dbraw/zinc/99/83/17/562998317.db2.gz QBQAGZWTHCAYQV-UHFFFAOYSA-N 1 0 471.591 7.431 1 0 JKAFRO CN(CC[NH+]1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000013826851 562998550 /nfs/dbraw/zinc/99/85/50/562998550.db2.gz SLIUDVVBDVTWHY-UHFFFAOYSA-N 1 0 479.621 5.035 1 0 JKAFRO O=S1(=O)c2ccccc2-c2ccccc2N1CC[NH+]1CCC(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000013826854 562998620 /nfs/dbraw/zinc/99/86/20/562998620.db2.gz UIVOCYXCNVVBDJ-UHFFFAOYSA-N 1 0 489.616 5.437 1 0 JKAFRO CC(C)C[C@H](CSc1ccc(Br)cc1)N1CC[N@H+](CCc2ccccc2)CCC1=O ZINC000013830314 562999141 /nfs/dbraw/zinc/99/91/41/562999141.db2.gz JHOMADSOKVLHPO-HSZRJFAPSA-N 1 0 489.523 5.733 1 0 JKAFRO CC[NH+](CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c(C)cc(=O)oc21 ZINC000013830820 562999320 /nfs/dbraw/zinc/99/93/20/562999320.db2.gz LBDFEYHNTRGKJW-OAQYLSRUSA-N 1 0 452.595 5.048 1 0 JKAFRO COc1ccc([C@H]2C=CC[N@H+](CC3CC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000013831005 562999334 /nfs/dbraw/zinc/99/93/34/562999334.db2.gz LOXGLFHDUZOSOG-IHLOFXLRSA-N 1 0 484.615 5.797 1 0 JKAFRO COc1cc(OC)c([C@@H](CC[N@@H+]2CCC[C@@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)cc(C)c12 ZINC000013830765 562999347 /nfs/dbraw/zinc/99/93/47/562999347.db2.gz FDCKOUVEAHEGNE-XXBNENTESA-N 1 0 478.633 5.439 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1-c1cc[n+]([O-])cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834336 563000993 /nfs/dbraw/zinc/00/09/93/563000993.db2.gz IRHGYSJUWORFDU-UHFFFAOYSA-N 1 0 474.582 5.003 1 0 JKAFRO Clc1ccc(N2CC[NH+](CC[C@H](Oc3ccc4c(c3)OCO4)c3ccccc3)CC2)cc1 ZINC000013861711 563002553 /nfs/dbraw/zinc/00/25/53/563002553.db2.gz PZUUCLCSQURJFQ-DEOSSOPVSA-N 1 0 450.966 5.401 1 0 JKAFRO Fc1ccc(N2CC[NH+](CC[C@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1 ZINC000013861731 563002620 /nfs/dbraw/zinc/00/26/20/563002620.db2.gz IWEYSMKGYWBMOK-VWLOTQADSA-N 1 0 458.499 6.177 1 0 JKAFRO CCCN(CCC)C(=O)c1c(C[N@H+](CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000013862484 563002865 /nfs/dbraw/zinc/00/28/65/563002865.db2.gz GEUNOQYKVFJYGC-UHFFFAOYSA-N 1 0 479.668 7.186 1 0 JKAFRO O=C(NC1CC[NH+](CC2CCCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 ZINC000013862614 563002967 /nfs/dbraw/zinc/00/29/67/563002967.db2.gz KELZXWMCYLASJE-UHFFFAOYSA-N 1 0 460.662 6.646 1 0 JKAFRO COc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc(Br)c2ccccc21 ZINC000013862856 563003027 /nfs/dbraw/zinc/00/30/27/563003027.db2.gz SUQIESLQCIUEKX-UHFFFAOYSA-N 1 0 453.380 5.005 1 0 JKAFRO O[C@H](/C=C1\C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000013901727 563004374 /nfs/dbraw/zinc/00/43/74/563004374.db2.gz IICYPFHJKGRIGE-WCWZFIMYSA-N 1 0 463.543 6.592 1 0 JKAFRO Oc1ccc2c(ccc3c2[C@@H](c2ccc(OCC[NH+]4CCCCC4)cc2)c2cc(O)ccc2C3)c1 ZINC000013976023 563004916 /nfs/dbraw/zinc/00/49/16/563004916.db2.gz OEVSLFVSLIUCMB-PMERELPUSA-N 1 0 465.593 6.200 1 0 JKAFRO COc1ccc([C@@]2(C)CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000013977829 563005140 /nfs/dbraw/zinc/00/51/40/563005140.db2.gz ODINENOTSWRONR-RUZDIDTESA-N 1 0 477.432 5.561 1 0 JKAFRO Cc1ccc2c(cccc2N2CC[NH+](CCc3cccc(NC(=O)Nc4ccc(F)cc4)c3)CC2)n1 ZINC000014022479 563005458 /nfs/dbraw/zinc/00/54/58/563005458.db2.gz LMTQZFXYMFRKKP-UHFFFAOYSA-N 1 0 483.591 5.691 1 0 JKAFRO CCC(CC)C[NH+]1CCC(O)(c2ccc3oc(C(=O)Nc4ccc(OC)c(OC)c4)cc3c2)CC1 ZINC000014884315 563006438 /nfs/dbraw/zinc/00/64/38/563006438.db2.gz FSOUHDYIPCXBHU-UHFFFAOYSA-N 1 0 480.605 5.422 1 0 JKAFRO CC(C)COc1cc2ncnc(Nc3c4c(ccc3Cl)OCO4)c2c(OC2CC[NH+](C)CC2)c1 ZINC000014949457 563006940 /nfs/dbraw/zinc/00/69/40/563006940.db2.gz CFEJJQZWMZTARJ-UHFFFAOYSA-N 1 0 484.984 5.263 1 0 JKAFRO NC(=[NH2+])c1ccc2[nH]cc([C@@H](CC3CC3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950766 563007118 /nfs/dbraw/zinc/00/71/18/563007118.db2.gz MNWGSJRYECRAHJ-JOCHJYFZSA-N 1 0 462.557 5.313 1 0 JKAFRO CC[C@@H](C(=O)Nc1ccc(-n2cnc3ccccc32)cc1)c1csc2ccc(C(N)=[NH2+])cc21 ZINC000014950920 563007176 /nfs/dbraw/zinc/00/71/76/563007176.db2.gz UBYJNLCXFFBLPT-LJQANCHMSA-N 1 0 453.571 5.657 1 0 JKAFRO COc1cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)NCc2ccccc2)ccc1OCc1ccccc1 ZINC000014953380 563007298 /nfs/dbraw/zinc/00/72/98/563007298.db2.gz DRUZWKULMZFMLK-MUUNZHRXSA-N 1 0 494.595 5.028 1 0 JKAFRO [NH3+][C@H](COc1cncc(/C=C/c2ccnc(-n3ccc4ccccc43)c2)c1)Cc1c[nH]c2ccccc12 ZINC000014957791 563007951 /nfs/dbraw/zinc/00/79/51/563007951.db2.gz HJGRQCRBHSDOIH-OGJPMFGRSA-N 1 0 485.591 6.021 1 0 JKAFRO CC(C)[NH2+]C1CCN(C(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014959645 563008242 /nfs/dbraw/zinc/00/82/42/563008242.db2.gz HAHDTUXAQNSETN-UHFFFAOYSA-N 1 0 483.037 5.662 1 0 JKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000014959774 563008330 /nfs/dbraw/zinc/00/83/30/563008330.db2.gz FTRYLMSDUSKCSS-UHFFFAOYSA-N 1 0 493.076 6.069 1 0 JKAFRO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)cc12 ZINC000014961728 563008439 /nfs/dbraw/zinc/00/84/39/563008439.db2.gz GCVLRYZKRKMULB-IBGZPJMESA-N 1 0 494.439 5.920 1 0 JKAFRO [NH3+][C@H](COc1cncc(-c2ccc3cnc(-c4ccncc4)cc3c2)c1)Cc1c[nH]c2ccccc12 ZINC000014962602 563008553 /nfs/dbraw/zinc/00/85/53/563008553.db2.gz WLJNONUDPIMAJC-SANMLTNESA-N 1 0 471.564 5.789 1 0 JKAFRO CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(C[NH+](CC)CC)cc1 ZINC000014974934 563010259 /nfs/dbraw/zinc/01/02/59/563010259.db2.gz KVALWNOGXNZJNM-UHFFFAOYSA-N 1 0 451.567 5.135 1 0 JKAFRO O=C(Nc1ccc2c(c1)OCO2)c1cc2cc(C3(O)CC[NH+](CCCc4ccccc4)CC3)ccc2o1 ZINC000015000559 563011184 /nfs/dbraw/zinc/01/11/84/563011184.db2.gz CMEDDYXDPNPIJW-UHFFFAOYSA-N 1 0 498.579 5.330 1 0 JKAFRO c1ccc(CCc2nc3cccnc3n2C2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000014995851 563011187 /nfs/dbraw/zinc/01/11/87/563011187.db2.gz LZCORHRFKUGWLO-UHFFFAOYSA-N 1 0 479.672 5.518 1 0 JKAFRO COc1ccc(OC)c2c([C@@H](O)C[NH2+]C34CC5CC(CC(C5)C3)C4)cc(-c3ccc(Cl)cc3)nc12 ZINC000016975394 563013328 /nfs/dbraw/zinc/01/33/28/563013328.db2.gz DMDZBVDUVBFCKH-NBFJNIPASA-N 1 0 493.047 6.164 1 0 JKAFRO c1csc(CNc2nc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)nc3ccccc32)c1 ZINC000020167743 563015869 /nfs/dbraw/zinc/01/58/69/563015869.db2.gz FNJBFIFVNGFODX-GOSISDBHSA-N 1 0 455.587 5.824 1 0 JKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2ccccc2C=CC(=O)OC(C)(C)C)C1C(=O)OCC ZINC000021983163 563016768 /nfs/dbraw/zinc/01/67/68/563016768.db2.gz HRWNZPORSDJVBT-HMULZFELSA-N 1 0 455.551 5.243 3 0 investigational JKAFRO Brc1cccc(/C=C/CN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022033843 563016773 /nfs/dbraw/zinc/01/67/73/563016773.db2.gz XPOPRYURHYOCLI-CSKARUKUSA-N 1 0 491.473 5.886 1 0 JKAFRO CC(C)[C@@H](C)NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CC[NH+](C(C)C)CC1 ZINC000022452358 563017078 /nfs/dbraw/zinc/01/70/78/563017078.db2.gz LQFYHISCELYWDN-JOCHJYFZSA-N 1 0 458.650 5.202 1 0 JKAFRO Fc1ccc(C(OCC[NH+]2CCN(C/C=C/Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022925619 563017622 /nfs/dbraw/zinc/01/76/22/563017622.db2.gz KLDSCOWYMZLTGO-SNAWJCMRSA-N 1 0 462.584 5.487 1 0 JKAFRO Clc1ccc(C(OCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000022925513 563017640 /nfs/dbraw/zinc/01/76/40/563017640.db2.gz LMLWBSZZRXUBJX-QPJJXVBHSA-N 1 0 481.467 6.430 1 0 JKAFRO O[C@H](CNc1ccccc1)CN1CC[NH+](CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022926450 563017707 /nfs/dbraw/zinc/01/77/07/563017707.db2.gz QZHQEYQOBSXHCY-GDLZYMKVSA-N 1 0 493.642 5.358 1 0 JKAFRO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](CCCOc3ccc4ccccc4c3)C1)CC2 ZINC000022930512 563018156 /nfs/dbraw/zinc/01/81/56/563018156.db2.gz BFMCYLRJNAXJFX-AREMUKBSSA-N 1 0 460.618 5.149 1 0 JKAFRO Clc1ccc(-c2ccc(CN[C@@H]3CC[N@H+](CC(c4ccccc4)c4ccccc4)C3)o2)cc1 ZINC000022932294 563018566 /nfs/dbraw/zinc/01/85/66/563018566.db2.gz ATGOCSGYJZJMMY-AREMUKBSSA-N 1 0 457.017 6.596 1 0 JKAFRO CC(C)(C)c1ccc(O)c(NCCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000022934252 563018785 /nfs/dbraw/zinc/01/87/85/563018785.db2.gz GITZSXNFDJPDCU-GDLZYMKVSA-N 1 0 492.107 6.552 1 0 JKAFRO CC(C)(C)c1ccc(O)c(NCCC[NH+]2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000022934249 563018839 /nfs/dbraw/zinc/01/88/39/563018839.db2.gz GITZSXNFDJPDCU-LJAQVGFWSA-N 1 0 492.107 6.552 1 0 JKAFRO Cc1ccc(O)c(N(C)CCC[NH+]2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000022934232 563018841 /nfs/dbraw/zinc/01/88/41/563018841.db2.gz NEEJNHCKUBUXDN-NDEPHWFRSA-N 1 0 464.053 5.588 1 0 JKAFRO Cc1c2c(c(C)c(C)c1N)O[C@@](C)(C[NH+]1CCN(C(c3ccccc3)c3ccccc3)CC1)C2 ZINC000022934332 563018849 /nfs/dbraw/zinc/01/88/49/563018849.db2.gz MVSGXQSDPNEATA-SSEXGKCCSA-N 1 0 455.646 5.295 1 0 JKAFRO O=C(CCC[NH+]1CCN(Cc2cccc(F)c2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000022940066 563019472 /nfs/dbraw/zinc/01/94/72/563019472.db2.gz XUINUVORMSPPQT-ZLZBJJAKSA-N 1 0 495.708 5.493 1 0 JKAFRO CCCC[N@@H+]1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022939643 563019476 /nfs/dbraw/zinc/01/94/76/563019476.db2.gz QGBFTFIRRDZUAM-AWVRMFGXSA-N 1 0 465.682 5.461 1 0 JKAFRO O=C(CCCN1CC[NH+](CCCc2ccccc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000022940082 563019552 /nfs/dbraw/zinc/01/95/52/563019552.db2.gz UFHFNDHFTRUFFK-WJOKGBTCSA-N 1 0 499.724 5.529 1 0 JKAFRO Fc1ccc(C(OCC[N@H+]2C[C@H]3CC[C@@H](C2)N3C/C=C/c2ccco2)c2ccc(F)cc2)cc1 ZINC000022940902 563019690 /nfs/dbraw/zinc/01/96/90/563019690.db2.gz QYUFXJSGWTTZSU-HRDKSRBXSA-N 1 0 464.556 5.526 1 0 JKAFRO Fc1ccc(C(OCCN2C[C@H]3CC[C@@H](C2)[N@H+]3CCCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000022940896 563019729 /nfs/dbraw/zinc/01/97/29/563019729.db2.gz IPXPHQLSEIAOEV-ISILISOKSA-N 1 0 476.611 5.852 1 0 JKAFRO CCC(CC)NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CC[NH+](C(C)C)CC1 ZINC000022941814 563019810 /nfs/dbraw/zinc/01/98/10/563019810.db2.gz PLCGOOJEDMEMOS-UHFFFAOYSA-N 1 0 458.650 5.346 1 0 JKAFRO C[NH+]1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6[nH]ccc65)ccc4o3)ccc2Cl)CC1 ZINC000023359492 563020016 /nfs/dbraw/zinc/02/00/16/563020016.db2.gz YCFIPAIIPRUSQE-UHFFFAOYSA-N 1 0 488.979 5.641 1 0 JKAFRO C[N@@H+]1CCCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)CC1 ZINC000023361022 563020192 /nfs/dbraw/zinc/02/01/92/563020192.db2.gz LNGZQOILOUVGME-UHFFFAOYSA-N 1 0 455.046 5.587 1 0 JKAFRO Brc1ccc2c(c1)[nH]cc2[C@@H]1CN[C@@H](c2c[nH]c3cc(Br)ccc32)C[NH2+]1 ZINC000023377813 563020232 /nfs/dbraw/zinc/02/02/32/563020232.db2.gz MWNHJASCQSIGAO-BGYRXZFFSA-N 1 0 474.200 5.149 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1)c1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000026006455 563021605 /nfs/dbraw/zinc/02/16/05/563021605.db2.gz DTRYPUDAGJUMRK-UHFFFAOYSA-N 1 0 487.621 6.465 1 0 JKAFRO CC(C)[NH+](CCOc1ccc(C(=O)c2c3ccc(O)cc3sc2-c2ccc(O)cc2)cc1)C(C)C ZINC000026007984 563021716 /nfs/dbraw/zinc/02/17/16/563021716.db2.gz HKNKLYDSMMRXFT-UHFFFAOYSA-N 1 0 489.637 6.708 1 0 JKAFRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000026146459 563022388 /nfs/dbraw/zinc/02/23/88/563022388.db2.gz VWYDECMNCXHJOZ-HYBUGGRVSA-N 1 0 479.045 5.734 1 0 JKAFRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026158918 563022609 /nfs/dbraw/zinc/02/26/09/563022609.db2.gz HXWPVLFGOOFIJD-YKSBVNFPSA-N 1 0 479.045 5.734 1 0 JKAFRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026158902 563022686 /nfs/dbraw/zinc/02/26/86/563022686.db2.gz HXWPVLFGOOFIJD-HYBUGGRVSA-N 1 0 479.045 5.734 1 0 JKAFRO c1c(CCCC[NH+]2CCC3(CC2)OCc2ccccc23)c2ccccc2n1Cc1ccccc1 ZINC000026163781 563022900 /nfs/dbraw/zinc/02/29/00/563022900.db2.gz YTGVNOACWNSJRO-UHFFFAOYSA-N 1 0 450.626 6.534 1 0 JKAFRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH2+][C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026165970 563022988 /nfs/dbraw/zinc/02/29/88/563022988.db2.gz WOCAHMZLKFLFKN-RCZVLFRGSA-N 1 0 458.627 5.389 1 0 JKAFRO Cc1ccc(S(=O)(=O)N[C@@H](C[NH2+][C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026165973 563023010 /nfs/dbraw/zinc/02/30/10/563023010.db2.gz WOCAHMZLKFLFKN-WIOPSUGQSA-N 1 0 458.627 5.389 1 0 JKAFRO Cc1ccc(S(=O)(=O)N[C@H](C[NH2+][C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026165982 563023061 /nfs/dbraw/zinc/02/30/61/563023061.db2.gz WOCAHMZLKFLFKN-DHLKQENFSA-N 1 0 458.627 5.389 1 0 JKAFRO COc1ccc(Br)cc1-c1nc(CNC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000026172282 563023403 /nfs/dbraw/zinc/02/34/03/563023403.db2.gz PGWQCIREQLHHHR-UHFFFAOYSA-N 1 0 472.452 5.335 1 0 JKAFRO COc1ccc([C@H](O)CCC[N@@H+]2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026179040 563023682 /nfs/dbraw/zinc/02/36/82/563023682.db2.gz OVISRGCRZMGEBJ-KJYTXNCISA-N 1 0 464.556 5.797 1 0 JKAFRO NC(=O)CCC[N@@H+]1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000026188824 563024159 /nfs/dbraw/zinc/02/41/59/563024159.db2.gz GRZUTNXIIUWUSF-UNMCSNQZSA-N 1 0 488.472 5.712 1 0 JKAFRO COc1ccc(CCC[NH+]2CCC(CCC(=O)c3cc(Cl)c(N)c4c3OCCO4)CC2)cc1 ZINC000026248877 563024423 /nfs/dbraw/zinc/02/44/23/563024423.db2.gz RLCISURRTQBVHE-UHFFFAOYSA-N 1 0 473.013 5.010 1 0 JKAFRO CCNC(=O)c1ccc(C(c2cccc(OC)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026248839 563024444 /nfs/dbraw/zinc/02/44/44/563024444.db2.gz DXFBVAVOOHTEDX-ISILISOKSA-N 1 0 480.652 6.116 1 0 JKAFRO O=C(NCCCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000026253499 563024502 /nfs/dbraw/zinc/02/45/02/563024502.db2.gz MMXZMOPOEQCCMR-AHKZPQOWSA-N 1 0 461.556 5.485 1 0 JKAFRO CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026253735 563024549 /nfs/dbraw/zinc/02/45/49/563024549.db2.gz ZJOPBPNTQRUJNM-QRRGNZNSSA-N 1 0 478.680 6.840 1 0 JKAFRO CCOc1cc2nc(C[NH+](CC)CC)nc(Nc3cccc(Br)c3)c2cc1OCC ZINC000026255514 563024582 /nfs/dbraw/zinc/02/45/82/563024582.db2.gz RSTWUIHALZZEJE-UHFFFAOYSA-N 1 0 473.415 5.775 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccc(O)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccs2)cc1 ZINC000026255470 563024622 /nfs/dbraw/zinc/02/46/22/563024622.db2.gz OCJQJAPGKZBIKD-PSWAGMNNSA-N 1 0 458.627 5.832 1 0 JKAFRO CC1(C)Oc2cc(O)ccc2[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000026271906 563025100 /nfs/dbraw/zinc/02/51/00/563025100.db2.gz OONKDFGHNVJXNG-WDYNHAJCSA-N 1 0 457.614 6.344 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCCCCC[C@H](Sc1ccccc1)c1ccccc1)CC2 ZINC000026273825 563025197 /nfs/dbraw/zinc/02/51/97/563025197.db2.gz PXPALVLDMLCHHI-PMERELPUSA-N 1 0 475.698 7.546 1 0 JKAFRO C[C@@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000026296974 563026011 /nfs/dbraw/zinc/02/60/11/563026011.db2.gz MZPZPLOHGVBKAT-CVDCTZTESA-N 1 0 488.550 5.776 1 0 JKAFRO O=C(CCC1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000026377090 563026286 /nfs/dbraw/zinc/02/62/86/563026286.db2.gz KOWXTIKVOVEEEX-UHFFFAOYSA-N 1 0 487.087 7.168 1 0 JKAFRO COc1ccc([S@](=O)c2ccc([C@@H](C3CCCCC3)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1 ZINC000026380098 563026650 /nfs/dbraw/zinc/02/66/50/563026650.db2.gz CSHHMALNFJAJIB-BIMVPBQRSA-N 1 0 494.745 6.434 1 0 JKAFRO C[NH+]1CCN(c2cccc3c2ncn3C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 ZINC000026391193 563027227 /nfs/dbraw/zinc/02/72/27/563027227.db2.gz NWNFUWRFXWCHMK-UHFFFAOYSA-N 1 0 458.609 5.628 1 0 JKAFRO Cc1cc(OCCCCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026405044 563027843 /nfs/dbraw/zinc/02/78/43/563027843.db2.gz QOQDVFIRZLAAEI-UHFFFAOYSA-N 1 0 486.700 6.664 1 0 JKAFRO O=C(NC1CCC(CC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1ccccc1 ZINC000026476875 563028129 /nfs/dbraw/zinc/02/81/29/563028129.db2.gz IBNGPFLSWWZTBJ-UHFFFAOYSA-N 1 0 460.449 5.494 1 0 JKAFRO Cc1cc(OCCCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026478731 563028214 /nfs/dbraw/zinc/02/82/14/563028214.db2.gz JOKIRSUFZFGUEG-UHFFFAOYSA-N 1 0 472.673 6.274 1 0 JKAFRO Cc1ccsc1[C@@H](c1ccccc1)[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026507954 563029524 /nfs/dbraw/zinc/02/95/24/563029524.db2.gz XOPQNCIENZGJRI-XMMPIXPASA-N 1 0 466.614 5.097 1 0 JKAFRO Cc1ccsc1[C@H](c1ccccc1)[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026507949 563029573 /nfs/dbraw/zinc/02/95/73/563029573.db2.gz XOPQNCIENZGJRI-DEOSSOPVSA-N 1 0 466.614 5.097 1 0 JKAFRO CC/C(=C(/c1ccc(Br)cc1)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000026508820 563029585 /nfs/dbraw/zinc/02/95/85/563029585.db2.gz QKCGCDADJBZFKY-OCEACIFDSA-N 1 0 450.420 6.759 1 0 JKAFRO CC/C(=C(/c1ccc(I)cc1)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000026566572 563029665 /nfs/dbraw/zinc/02/96/65/563029665.db2.gz BSZGETWFQDIDDX-OCEACIFDSA-N 1 0 497.420 6.601 1 0 JKAFRO Cc1cc(C)cc(-c2c(=O)[nH]c3cc(C(F)(F)F)ccc3c2OCC[C@@H]2CCCC[N@H+]2C)c1 ZINC000026577348 563030756 /nfs/dbraw/zinc/03/07/56/563030756.db2.gz IODGDPAFYOIVDN-FQEVSTJZSA-N 1 0 458.524 6.084 1 0 JKAFRO C[C@@H]1C[NH+](CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1 ZINC000026578013 563030953 /nfs/dbraw/zinc/03/09/53/563030953.db2.gz ORGCRESQMYXKGH-DNQXCXABSA-N 1 0 496.526 7.159 1 0 JKAFRO C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)[NH+]1CCCc1ccccc1 ZINC000026578010 563030978 /nfs/dbraw/zinc/03/09/78/563030978.db2.gz BJZUXYGUBISHCC-JWQCQUIFSA-N 1 0 477.643 6.520 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccsc1)S(=O)(=O)c1ccccc1 ZINC000026640358 563031517 /nfs/dbraw/zinc/03/15/17/563031517.db2.gz XWXQHDZLNCSLKP-XMMPIXPASA-N 1 0 468.688 5.422 1 0 JKAFRO CN(C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccsc1)S(=O)(=O)c1ccccc1 ZINC000026640364 563031588 /nfs/dbraw/zinc/03/15/88/563031588.db2.gz XWXQHDZLNCSLKP-DEOSSOPVSA-N 1 0 468.688 5.422 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2nc(SC)ncc2C1 ZINC000026646264 563031713 /nfs/dbraw/zinc/03/17/13/563031713.db2.gz WNQGJBBMATVHDO-SANMLTNESA-N 1 0 488.701 5.645 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000026646017 563031786 /nfs/dbraw/zinc/03/17/86/563031786.db2.gz KWNJMHODRWLBPT-MUUNZHRXSA-N 1 0 498.715 6.221 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2nc(SC)ncc2C1 ZINC000026646260 563031789 /nfs/dbraw/zinc/03/17/89/563031789.db2.gz WNQGJBBMATVHDO-AREMUKBSSA-N 1 0 488.701 5.645 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2nc(N)sc2C1 ZINC000026649555 563031972 /nfs/dbraw/zinc/03/19/72/563031972.db2.gz YDIIMEYIGWYMMA-HSZRJFAPSA-N 1 0 462.663 5.172 1 0 JKAFRO C[C@@H]1CCC[C@@H](C)[NH+]1CCOc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2cccc(O)c2)cc1 ZINC000026652449 563032153 /nfs/dbraw/zinc/03/21/53/563032153.db2.gz DGUGAVBTCOIQFE-DTORUDOESA-N 1 0 491.653 6.707 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2nc(C)ncc2C1 ZINC000026654997 563032283 /nfs/dbraw/zinc/03/22/83/563032283.db2.gz HKBFAJQLEHSBTM-HHHXNRCGSA-N 1 0 456.634 5.232 1 0 JKAFRO CC1CC[NH+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3cccc(O)c3)cc2)CC1 ZINC000026655750 563032420 /nfs/dbraw/zinc/03/24/20/563032420.db2.gz NJSJNSRAGFPCKF-WUFINQPMSA-N 1 0 477.626 6.176 1 0 JKAFRO CCc1cc(O)cc2c1S[C@@H](c1ccc(O)cc1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026656657 563032504 /nfs/dbraw/zinc/03/25/04/563032504.db2.gz RQEDNNYPHPXBQP-PXJZQJOASA-N 1 0 491.653 6.492 1 0 JKAFRO Oc1ccc2c(c1)S[C@H](c1ccc(F)cc1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026657056 563032533 /nfs/dbraw/zinc/03/25/33/563032533.db2.gz PXQIHYPEOSFFBY-RRPNLBNLSA-N 1 0 465.590 6.363 1 0 JKAFRO Oc1ccc([C@@H]2Sc3c(F)c(O)ccc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026658125 563032645 /nfs/dbraw/zinc/03/26/45/563032645.db2.gz YDQNHZBACNWIHI-FTJBHMTQSA-N 1 0 481.589 6.069 1 0 JKAFRO Oc1cccc([C@@H]2Sc3cc(O)ccc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000026663191 563032838 /nfs/dbraw/zinc/03/28/38/563032838.db2.gz NAULYXADLNIEES-SXOMAYOGSA-N 1 0 463.599 5.930 1 0 JKAFRO O=C(c1ccc(F)cc1)C1CC[NH+](C[C@@H]2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1 ZINC000026662322 563032847 /nfs/dbraw/zinc/03/28/47/563032847.db2.gz PTZUOUKVZMOWMQ-GHQLXFMHSA-N 1 0 455.573 5.939 1 0 JKAFRO Oc1ccc([C@@H]2Sc3c(O)cc(O)cc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026663973 563032936 /nfs/dbraw/zinc/03/29/36/563032936.db2.gz URLLDRDPXYLMTI-FTJBHMTQSA-N 1 0 479.598 5.635 1 0 JKAFRO COc1cccc(C(=O)N2C[C@H](C[NH+]3CCC(c4ccccc4)CC3)[C@@H](c3ccccc3)C2)c1 ZINC000026665053 563032938 /nfs/dbraw/zinc/03/29/38/563032938.db2.gz ZQEOVIGCJKBSNH-LMSSTIIKSA-N 1 0 454.614 5.431 1 0 JKAFRO O=C(NCCCC[N@H+]1CCC[C@H]2c3ccc(O)cc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1 ZINC000026726333 563033973 /nfs/dbraw/zinc/03/39/73/563033973.db2.gz XFYCKARBUDZUAB-VMPREFPWSA-N 1 0 454.614 5.764 1 0 JKAFRO CCC1=C(c2ccccc2)[C@H](c2ccc(OCC[NH+]3CCCC3)cc2)Oc2cc(OC)ccc21 ZINC000026963540 563038204 /nfs/dbraw/zinc/03/82/04/563038204.db2.gz PUKJLWFRYHROLA-PMERELPUSA-N 1 0 455.598 6.624 1 0 JKAFRO CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C[N@@H+]3CCCCC[C@@H]3c3ccccc3C)[nH]2)c1 ZINC000026984612 563038689 /nfs/dbraw/zinc/03/86/89/563038689.db2.gz DLNZFPDQXJEXTN-AREMUKBSSA-N 1 0 466.647 5.910 1 0 JKAFRO O=c1oc2cc(O)ccc2c(-c2cccc(OCCCCC[NH+]3CCCCC3)c2)c1-c1ccccc1 ZINC000027077847 563038968 /nfs/dbraw/zinc/03/89/68/563038968.db2.gz JXTJOXVMKOPREE-UHFFFAOYSA-N 1 0 483.608 6.868 1 0 JKAFRO C[n+]1cccc(C(=O)OCCCCCCCCCn2ccc3cc(OCc4ccccc4)ccc32)c1 ZINC000027081759 563039096 /nfs/dbraw/zinc/03/90/96/563039096.db2.gz MXTBEFVGLCJARJ-UHFFFAOYSA-N 1 0 485.648 6.633 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@@H]2[C@@H](C)c2ccccc2)c1 ZINC000027104106 563040116 /nfs/dbraw/zinc/04/01/16/563040116.db2.gz KDLUBXVKFJCDHI-GAEQEDBASA-N 1 0 477.652 6.418 1 0 JKAFRO COc1ccc(CCCCN2C(=O)N(CC[NH+]3CCCC3)C(=O)[C@@H]2Cc2cccc3ccccc32)cc1 ZINC000027110017 563040675 /nfs/dbraw/zinc/04/06/75/563040675.db2.gz SDFIKYHRVMQJPY-LJAQVGFWSA-N 1 0 499.655 5.142 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCC[C@H](CO[C@@H](c3ccccc3)c3ccc(Cl)cc3)C2)cc1 ZINC000027194985 563041110 /nfs/dbraw/zinc/04/11/10/563041110.db2.gz HHXIVTDTGMKZMG-FIPFOOKPSA-N 1 0 450.022 6.409 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(CCC[NH+]3CCCCC3)cc2)cc1 ZINC000027211195 563041992 /nfs/dbraw/zinc/04/19/92/563041992.db2.gz ILMLSUGDEMTFAD-WUFINQPMSA-N 1 0 461.627 6.483 1 0 JKAFRO CCC[N@H+](CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)ccc(C(C)=O)c2C1 ZINC000027325068 563042954 /nfs/dbraw/zinc/04/29/54/563042954.db2.gz CXIQQOIATMENRH-OAQYLSRUSA-N 1 0 470.629 5.087 1 0 JKAFRO Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(CCC[NH+]3CCN(c4ccccc4)CC3)n1-2 ZINC000027328968 563043085 /nfs/dbraw/zinc/04/30/85/563043085.db2.gz HPCUHGJRONWUPX-UHFFFAOYSA-N 1 0 497.046 5.027 1 0 JKAFRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCCCN1c2ccccc2O[C@H](c2cccc(C(N)=S)c2)C1=O ZINC000027331840 563043249 /nfs/dbraw/zinc/04/32/49/563043249.db2.gz IQZUQYWONQLPBN-UMEGOILYSA-N 1 0 465.663 5.221 1 0 JKAFRO C[NH+](CCCNc1ccnc2cc(Cl)ccc21)CCCNc1ccnc2cc(Cl)ccc21 ZINC000027435736 563044218 /nfs/dbraw/zinc/04/42/18/563044218.db2.gz WYKGDIRHMPEZMN-UHFFFAOYSA-N 1 0 468.432 6.326 1 0 JKAFRO C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(=O)/C=C/c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)[NH+](C)C ZINC000027438493 563044283 /nfs/dbraw/zinc/04/42/83/563044283.db2.gz QRUDUXILSDZJOY-URJXLLGMSA-N 1 0 490.776 7.136 1 0 JKAFRO C=Cc1cccc([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CC[NH2+]CC2)c1C=C ZINC000027438356 563044293 /nfs/dbraw/zinc/04/42/93/563044293.db2.gz PDKAKBKHMCQDHQ-QHCPKHFHSA-N 1 0 484.484 6.173 1 0 JKAFRO CC(C)=CC(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)[NH+](C)C)=CC[C@H]4[C@@H]3CC[C@@H]2[C@H]1OC(C)=O ZINC000027443183 563044446 /nfs/dbraw/zinc/04/44/46/563044446.db2.gz SYWAOYCXRQDRLP-ZENZKXLVSA-N 1 0 484.725 5.508 1 0 JKAFRO FC(F)(F)c1ccc(CO[C@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 ZINC000027525381 563045457 /nfs/dbraw/zinc/04/54/57/563045457.db2.gz GBGJHGBFMCNNKU-SVBPBHIXSA-N 1 0 451.532 6.517 1 0 JKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2COc2ccccc2Br)CC1 ZINC000027547781 563045880 /nfs/dbraw/zinc/04/58/80/563045880.db2.gz ZBNZNZVIXLMNNZ-UHFFFAOYSA-N 1 0 473.480 5.811 1 0 JKAFRO C[C@@H](C(=O)N(C1CCCCC1)C1CCCCC1)C1(O)CC[NH+](CCc2ccccc2Cl)CC1 ZINC000027554095 563046147 /nfs/dbraw/zinc/04/61/47/563046147.db2.gz HJENFBMQZBVWHY-QFIPXVFZSA-N 1 0 475.117 5.840 1 0 JKAFRO CCCN(C(=O)[C@H](C)C1(O)CC[NH+](CCc2ccccc2Cl)CC1)c1ccccc1OCC ZINC000027554540 563046270 /nfs/dbraw/zinc/04/62/70/563046270.db2.gz SJQMSWVGWHTCHU-NRFANRHFSA-N 1 0 473.057 5.187 1 0 JKAFRO COc1ccc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCCCc2ccc(O)cc2)cc1OC ZINC000027557010 563046506 /nfs/dbraw/zinc/04/65/06/563046506.db2.gz JQLUUFRWGDZZHN-UHFFFAOYSA-N 1 0 472.629 6.493 1 0 JKAFRO CCC(=O)OC1([C@@H](C)C(=O)N(C)C2CCCCC2)CC[NH+](CCc2ccccc2Cl)CC1 ZINC000027557659 563046509 /nfs/dbraw/zinc/04/65/09/563046509.db2.gz QMEQNFHRSZADSS-FQEVSTJZSA-N 1 0 463.062 5.098 1 0 JKAFRO CNC(=O)Oc1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(O)cc3)c2c1 ZINC000027560237 563046692 /nfs/dbraw/zinc/04/66/92/563046692.db2.gz DKALVTNZPLCZHM-UHFFFAOYSA-N 1 0 485.628 6.031 1 0 JKAFRO C[C@@H]1C[N@H+](C[C@H](c2ccccc2)N(C)C(=O)CCc2ccc(O)cc2)CC[C@@]1(C)c1cccc(O)c1 ZINC000027560086 563046754 /nfs/dbraw/zinc/04/67/54/563046754.db2.gz UUWGPJRALWTJRL-OELHPGRASA-N 1 0 486.656 5.530 1 0 JKAFRO COc1ccc(C[C@H]2[NH2+]CCc3cc4c(cc32)C[C@H]([C@H](C)CSc2ccccc2)O4)cc1OC ZINC000027561306 563046941 /nfs/dbraw/zinc/04/69/41/563046941.db2.gz LWLPEHDZZFQCBB-DSSGHVNRSA-N 1 0 475.654 5.865 1 0 JKAFRO O=C(/C=C/c1cccnc1)NCCCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000027648502 563048443 /nfs/dbraw/zinc/04/84/43/563048443.db2.gz RROHYJBRIYRRFY-BVEXFFHSSA-N 1 0 489.063 5.052 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@H](c1ccc(OCC[NH+]3CCCC3)cc1)[C@@H]2c1ccccc1 ZINC000027654629 563048936 /nfs/dbraw/zinc/04/89/36/563048936.db2.gz RFZHECCLLAJHFT-FQLXRVMXSA-N 1 0 457.614 6.257 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@H](c1ccc(OCC[NH+]3CCCC3)cc1)[C@H]2c1ccccc1 ZINC000027654633 563049047 /nfs/dbraw/zinc/04/90/47/563049047.db2.gz RFZHECCLLAJHFT-URLMMPGGSA-N 1 0 457.614 6.257 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@H]2c1cccc(OCC[NH+]2CCCC2)c1 ZINC000027656182 563049151 /nfs/dbraw/zinc/04/91/51/563049151.db2.gz PLIUCEMVAGBJSL-VMPREFPWSA-N 1 0 457.614 6.257 1 0 JKAFRO Cc1ccc([C@@H](c2ccccc2)N2CC[NH+](CCCCNC(=O)/C=C/c3ccc(C)nc3)CC2)cc1 ZINC000027656767 563049201 /nfs/dbraw/zinc/04/92/01/563049201.db2.gz GOEXMGWYKDBGCL-NSQLZQESSA-N 1 0 482.672 5.015 1 0 JKAFRO O=C1NCN(c2ccccc2)C12CC[NH+](CCCN(c1ccc(F)cc1)c1cccc(Cl)c1)CC2 ZINC000027657590 563049350 /nfs/dbraw/zinc/04/93/50/563049350.db2.gz GTTFJDXIADKPEP-UHFFFAOYSA-N 1 0 493.026 5.436 1 0 JKAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)C(C2=CC=CN(C(=O)Oc3ccccc3)C2)C1C(=O)OC(C)C ZINC000027729293 563050566 /nfs/dbraw/zinc/05/05/66/563050566.db2.gz XKDWWTPWRMMGLA-ZZIWUOEGSA-N 1 0 480.561 5.452 1 0 JKAFRO Fc1ccc([C@H](OCCN2CC[NH+](CCCc3ccccc3)CC2)c2cccc(F)c2)cc1 ZINC000027729937 563050679 /nfs/dbraw/zinc/05/06/79/563050679.db2.gz QSHQYEPLWKSOTM-NDEPHWFRSA-N 1 0 450.573 5.321 1 0 JKAFRO Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cccc3c2n1[C@@H](c1ccccc1)CC3 ZINC000027741817 563051081 /nfs/dbraw/zinc/05/10/81/563051081.db2.gz YESFCFFJOUJQQT-MUUNZHRXSA-N 1 0 450.630 5.553 1 0 JKAFRO COc1cc(Cl)cc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027766090 563051614 /nfs/dbraw/zinc/05/16/14/563051614.db2.gz CWPRCBVOIUJBBJ-URXFXBBRSA-N 1 0 481.851 5.808 1 0 JKAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccccc2[C@@H](c2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000027843898 563051709 /nfs/dbraw/zinc/05/17/09/563051709.db2.gz UXKHSXGDSCQIHI-QXGAZULMSA-N 1 0 493.478 6.736 1 0 JKAFRO Fc1c(F)c(F)c(Cn2c3cc(Cl)c(Cl)cc3nc2C2CC[NH2+]CC2)c(F)c1F ZINC000027843126 563051723 /nfs/dbraw/zinc/05/17/23/563051723.db2.gz YJWBHCCDYIDBAY-UHFFFAOYSA-N 1 0 450.238 5.554 1 0 JKAFRO COc1ccc2c(c1C)CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027849858 563051876 /nfs/dbraw/zinc/05/18/76/563051876.db2.gz XLXNHFACZXOPAN-DHLKQENFSA-N 1 0 461.433 5.463 1 0 JKAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccccc2-c2ccccc2[C@@H]1[NH+]1CCCC1 ZINC000027852916 563051980 /nfs/dbraw/zinc/05/19/80/563051980.db2.gz IVJZFCBTRGCBRW-SVBPBHIXSA-N 1 0 465.424 6.553 1 0 JKAFRO CC(C)(C(=O)NC1CCCCC1)c1cn2cc(-c3csc4ccccc34)nc(CCC[NH3+])c2n1 ZINC000027859340 563052150 /nfs/dbraw/zinc/05/21/50/563052150.db2.gz QSIQDAIODXAVEF-UHFFFAOYSA-N 1 0 475.662 5.229 1 0 JKAFRO O=c1c2ccc(OC[C@@H](O)C[NH2+]C3CCCC3)cc2oc(-c2ccccc2)c1-c1ccccc1 ZINC000027871501 563052391 /nfs/dbraw/zinc/05/23/91/563052391.db2.gz MSSKINBKRSPCJX-QHCPKHFHSA-N 1 0 455.554 5.399 1 0 JKAFRO COc1cc2c(cc1OC)[C@@](C)(CCC[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)OCC2 ZINC000027884218 563052719 /nfs/dbraw/zinc/05/27/19/563052719.db2.gz FULHNQTUWSRVAC-RUZDIDTESA-N 1 0 478.555 5.113 1 0 JKAFRO O=[S@](c1ccccc1)[C@@H](c1ccccc1)C1(O)CC[NH+](CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000027895884 563053030 /nfs/dbraw/zinc/05/30/30/563053030.db2.gz SFQVLTFYZUJXAH-FOPBOCKXSA-N 1 0 476.617 5.226 1 0 JKAFRO COc1ccc(OCCCC[N@H+](C)C2CCCCC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000027995892 563054100 /nfs/dbraw/zinc/05/41/00/563054100.db2.gz BNMBYIVXXAQVRH-MHZLTWQESA-N 1 0 468.663 6.276 1 0 JKAFRO CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000028007649 563054734 /nfs/dbraw/zinc/05/47/34/563054734.db2.gz WIMAUEHWGLTHAB-UHFFFAOYSA-N 1 0 452.630 6.200 1 0 JKAFRO Clc1ccc([C@H]2C[C@H]([NH+]3CCN(C/C=C/c4ccccc4)CC3)c3ccccc32)cc1Cl ZINC000028087242 563055485 /nfs/dbraw/zinc/05/54/85/563055485.db2.gz CQHFAVPNRLFXIP-SGUUSEDISA-N 1 0 463.452 6.901 1 0 JKAFRO O=C(NC[C@H](CC[NH2+]C1CCCC1)c1ccc(-c2ccncc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028104210 563056232 /nfs/dbraw/zinc/05/62/32/563056232.db2.gz DSLNFLKDENEFBK-QFIPXVFZSA-N 1 0 497.470 6.883 1 0 JKAFRO C[N@H+](Cc1ccccn1)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000028120356 563056760 /nfs/dbraw/zinc/05/67/60/563056760.db2.gz JWXCLECDJCIPAS-GDLZYMKVSA-N 1 0 462.597 5.712 1 0 JKAFRO C[C@@H]1CC[N@H+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4[C@@H](C)[C@@H]3c3ccc(O)cc3)cc2)C1 ZINC000028128148 563057098 /nfs/dbraw/zinc/05/70/98/563057098.db2.gz OCOJLTOWRUXQCT-GEXBOQGPSA-N 1 0 459.586 5.839 1 0 JKAFRO C[C@@H]1c2cc(O)ccc2O[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000028130199 563057238 /nfs/dbraw/zinc/05/72/38/563057238.db2.gz OIWJQXISVVHHBL-FXAGJUNHSA-N 1 0 459.586 5.984 1 0 JKAFRO Cc1ccc(Cl)c(O[C@@H]([C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C2CCCCC2)c1 ZINC000028137907 563057691 /nfs/dbraw/zinc/05/76/91/563057691.db2.gz WUADNUGCSVGPSQ-XNMGPUDCSA-N 1 0 498.067 5.317 1 0 JKAFRO Cc1ccc(Cl)c(O[C@H]([C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C2CCCCC2)c1 ZINC000028137913 563057696 /nfs/dbraw/zinc/05/76/96/563057696.db2.gz WUADNUGCSVGPSQ-VPUSJEBWSA-N 1 0 498.067 5.317 1 0 JKAFRO O=C1c2ccccc2C(=O)N1CCCCCn1c2cc(Cl)c(Cl)cc2nc1C1CC[NH2+]CC1 ZINC000028230458 563058293 /nfs/dbraw/zinc/05/82/93/563058293.db2.gz YDPGBZHUGSLOIP-UHFFFAOYSA-N 1 0 485.415 5.277 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(-c3ccccc3C[NH3+])cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028233058 563058336 /nfs/dbraw/zinc/05/83/36/563058336.db2.gz CQWMWMMZYBJUHG-UHFFFAOYSA-N 1 0 466.972 6.365 1 0 JKAFRO CCCN(C)C(=[NH2+])c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1 ZINC000028235483 563058433 /nfs/dbraw/zinc/05/84/33/563058433.db2.gz FHAXBTLFNDNWOB-UHFFFAOYSA-N 1 0 461.516 5.532 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(C(=[NH2+])N3CCCCCC3)cc2F)n(-c2cc3ccccc3cc2F)n1 ZINC000028236861 563058526 /nfs/dbraw/zinc/05/85/26/563058526.db2.gz PTKUTLFSSIFBAW-UHFFFAOYSA-N 1 0 487.554 6.066 1 0 JKAFRO O=C(CSc1nc2ccccc2s1)NC[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000028236364 563058529 /nfs/dbraw/zinc/05/85/29/563058529.db2.gz RJHBGQPOEDNXDL-HXUWFJFHSA-N 1 0 461.656 5.570 1 0 JKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CC[NH+](CCC4CCCCC4)CC3)cc21 ZINC000028245651 563058924 /nfs/dbraw/zinc/05/89/24/563058924.db2.gz BVZOBOJXGYYFOT-NTCAYCPXSA-N 1 0 499.699 6.077 1 0 JKAFRO C[C@H]1CC[N@H+](CCOc2ccc([C@@H]3Oc4ccc(O)c(F)c4[C@@H](C)[C@@H]3c3ccc(O)cc3)cc2)C1 ZINC000028333311 563059711 /nfs/dbraw/zinc/05/97/11/563059711.db2.gz KREZVKKCLKOMEF-IWKAXJDJSA-N 1 0 477.576 5.979 1 0 JKAFRO O=C(NCc1ccc(-c2cccs2)s1)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000028336690 563059991 /nfs/dbraw/zinc/05/99/91/563059991.db2.gz ACYGUQIXRVGQAO-OALUTQOASA-N 1 0 464.578 6.070 1 0 JKAFRO Cc1ccc(Cl)c(OC2([C@H](O)C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)CCCCC2)c1 ZINC000028336527 563060014 /nfs/dbraw/zinc/06/00/14/563060014.db2.gz YHSQFQMXFCKVHU-RUZDIDTESA-N 1 0 484.040 5.071 1 0 JKAFRO C[C@@H]1c2c(F)c(O)ccc2O[C@@H](c2ccc(OCC[NH+]3CCCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000028340201 563060320 /nfs/dbraw/zinc/06/03/20/563060320.db2.gz JUMHXAHUWIPRTK-NIQOGTEGSA-N 1 0 491.603 6.513 1 0 JKAFRO C[C@H]1c2cc(O)ccc2O[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000028341037 563060457 /nfs/dbraw/zinc/06/04/57/563060457.db2.gz OIWJQXISVVHHBL-MXXBPKCLSA-N 1 0 459.586 5.984 1 0 JKAFRO CC[NH+](CC)CCOc1ccc(Nc2ncc3cc(-c4c(C)cccc4C)c(=O)n(C)c3n2)cc1 ZINC000028341607 563060475 /nfs/dbraw/zinc/06/04/75/563060475.db2.gz BJIVPJOEDIEVGM-UHFFFAOYSA-N 1 0 471.605 5.077 1 0 JKAFRO CC(C)[C@H](CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)Oc1ccccc1C(F)(F)F ZINC000028347712 563060801 /nfs/dbraw/zinc/06/08/01/563060801.db2.gz YZMDJCYFVDZWAD-QFIPXVFZSA-N 1 0 461.528 5.479 1 0 JKAFRO CCN(C(=O)NCc1cccc(C)c1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028346647 563060814 /nfs/dbraw/zinc/06/08/14/563060814.db2.gz DUZJAHDJMLCDSP-UHFFFAOYSA-N 1 0 469.673 6.213 1 0 JKAFRO CN(C(=O)Cc1ccccc1Cl)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028347318 563060837 /nfs/dbraw/zinc/06/08/37/563060837.db2.gz NDKWEXVDHQLTEB-UHFFFAOYSA-N 1 0 461.049 6.028 1 0 JKAFRO C[C@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000028348351 563060935 /nfs/dbraw/zinc/06/09/35/563060935.db2.gz HQIHZXMANDEWIH-FNZLKOBSSA-N 1 0 477.626 6.174 1 0 JKAFRO COc1cccc(CC(=O)N(C)C2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000028352513 563061133 /nfs/dbraw/zinc/06/11/33/563061133.db2.gz ZHUCIVDCXATINW-UHFFFAOYSA-N 1 0 456.630 5.383 1 0 JKAFRO C[C@@H]1CCC[N@@H+]1CCOc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1 ZINC000028352565 563061246 /nfs/dbraw/zinc/06/12/46/563061246.db2.gz WLGDFYOOSGHIPS-BLIZRMSTSA-N 1 0 463.599 5.928 1 0 JKAFRO CC[C@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)[NH+]1CCCC1 ZINC000028358009 563061535 /nfs/dbraw/zinc/06/15/35/563061535.db2.gz UOZGUWHPVZIRDP-AOLGGSBGSA-N 1 0 477.626 6.318 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@@H](c2ccc([C@@H](O)CC[NH+]3CCCCC3)cc2)c2c(O)cccc2C1 ZINC000028370379 563062318 /nfs/dbraw/zinc/06/23/18/563062318.db2.gz ZJPSGOJUQUBVBJ-OUTSHDOLSA-N 1 0 485.649 6.306 1 0 JKAFRO O=C1OC2(CCC([NH+]3CCC(Cc4ccccc4Br)CC3)CC2)c2ccc3c(c21)OCO3 ZINC000028371429 563062351 /nfs/dbraw/zinc/06/23/51/563062351.db2.gz XLMUYICZZQBKDT-UHFFFAOYSA-N 1 0 498.417 5.441 1 0 JKAFRO O=C(c1cccc2c(/C=C3\Sc4ccccc4NC3=O)c[nH]c21)N1CCC([NH+]2CCCCC2)CC1 ZINC000028371717 563062375 /nfs/dbraw/zinc/06/23/75/563062375.db2.gz GOYBJLBEWHUBLY-UQQQWYQISA-N 1 0 486.641 5.344 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCSCC3)cc2)cc1 ZINC000028377118 563062667 /nfs/dbraw/zinc/06/26/67/563062667.db2.gz VYCNOPRACOYUBB-IZZNHLLZSA-N 1 0 481.639 5.493 1 0 JKAFRO OCC1CC[NH+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1 ZINC000028378536 563062766 /nfs/dbraw/zinc/06/27/66/563062766.db2.gz HEXSBPJUAVNGKL-WUFINQPMSA-N 1 0 493.625 5.148 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3C[C@@H]4CC[C@H]4C3)cc2)cc1 ZINC000028377560 563062796 /nfs/dbraw/zinc/06/27/96/563062796.db2.gz LCRLCVCOQDLILD-XQOBHTRLSA-N 1 0 475.610 5.786 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[N@@H+]3C[C@@H]4C[C@@H]4C3)cc2)cc1 ZINC000028377737 563062812 /nfs/dbraw/zinc/06/28/12/563062812.db2.gz LXPJFKHIHBCXNT-OHGBUVMCSA-N 1 0 461.583 5.395 1 0 JKAFRO CC[NH+](CC)CCNC(=O)c1ccc(-c2noc(-c3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000028383448 563063097 /nfs/dbraw/zinc/06/30/97/563063097.db2.gz XMQNTDBQLOGXJP-UHFFFAOYSA-N 1 0 456.546 5.268 1 0 JKAFRO Fc1ccc(C[NH2+][C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)N(Cc3ccc(F)cc3)C2)cc1 ZINC000028393417 563063710 /nfs/dbraw/zinc/06/37/10/563063710.db2.gz KVWQMPXTOQRZSX-CONSDPRKSA-N 1 0 482.618 6.920 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccc(C(C)=O)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028394923 563063760 /nfs/dbraw/zinc/06/37/60/563063760.db2.gz PXRFAVGXXAHIKM-HNRBIFIRSA-N 1 0 468.597 5.861 1 0 JKAFRO COc1ccc(-c2ccc(C[NH2+]CCCNC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000028395974 563063873 /nfs/dbraw/zinc/06/38/73/563063873.db2.gz WOEOYVNUGCOYHN-UHFFFAOYSA-N 1 0 457.496 5.682 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccc(CO)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028456269 563064101 /nfs/dbraw/zinc/06/41/01/563064101.db2.gz DTNSHYLHWVMASK-MKPDMIMOSA-N 1 0 456.586 5.151 1 0 JKAFRO COc1ccccc1-c1ccc(C[NH2+]CCCNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000028456692 563064145 /nfs/dbraw/zinc/06/41/45/563064145.db2.gz LXGZVETZCRTLBR-UHFFFAOYSA-N 1 0 457.496 5.682 1 0 JKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)C1CCCCC1 ZINC000028468148 563065160 /nfs/dbraw/zinc/06/51/60/563065160.db2.gz WILUNEYZEWUFIC-HXUWFJFHSA-N 1 0 466.497 5.366 1 0 JKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2[nH]ccc2c1 ZINC000028470477 563065304 /nfs/dbraw/zinc/06/53/04/563065304.db2.gz MVBQPHOIQWJEQS-FQEVSTJZSA-N 1 0 499.486 5.581 1 0 JKAFRO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccccc1Cl ZINC000028474559 563065843 /nfs/dbraw/zinc/06/58/43/563065843.db2.gz AAFZVBOPDUKYEG-IBGZPJMESA-N 1 0 494.894 5.753 1 0 JKAFRO Cc1ccc(NC(=O)NC[C@@H](c2ccc(-c3ccccc3)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028520977 563066317 /nfs/dbraw/zinc/06/63/17/563066317.db2.gz LPGUJYWWRBKIOS-HKBQPEDESA-N 1 0 496.699 6.475 1 0 JKAFRO Cc1cc(C)cc(NC(=O)NC[C@@H](CC(C)C)[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000028522398 563066509 /nfs/dbraw/zinc/06/65/09/563066509.db2.gz LWHIDSSHJAZUCB-JOCHJYFZSA-N 1 0 477.480 5.969 1 0 JKAFRO O=C(Nc1ccccc1NC(=O)c1ccccc1Cl)OCC1CCN(c2cc[nH+]cc2)CC1 ZINC000028522364 563066522 /nfs/dbraw/zinc/06/65/22/563066522.db2.gz DUIILPZKNQLOFS-UHFFFAOYSA-N 1 0 464.953 5.452 1 0 JKAFRO O=C(NCCc1ccc(Oc2ccccc2)cc1)Nc1ccc2cnn(CC[NH+]3CCCC3)c2c1 ZINC000028522386 563066542 /nfs/dbraw/zinc/06/65/42/563066542.db2.gz ZYFROZAPTFMWIE-UHFFFAOYSA-N 1 0 469.589 5.289 1 0 JKAFRO COc1ccccc1CC[NH2+]C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCN(c2ccccc2)CC1 ZINC000028522478 563066627 /nfs/dbraw/zinc/06/66/27/563066627.db2.gz BIKFSSUQPVPOTQ-LJAQVGFWSA-N 1 0 471.689 5.688 1 0 JKAFRO O=C(Nc1ccccc1NC(=O)c1cccc(Cl)c1Cl)OCC1CCN(c2cc[nH+]cc2)CC1 ZINC000028522902 563066637 /nfs/dbraw/zinc/06/66/37/563066637.db2.gz RFOIIHBEWOYXHM-UHFFFAOYSA-N 1 0 499.398 6.106 1 0 JKAFRO COc1ccc([C@H](CNC(=O)Nc2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028522972 563066744 /nfs/dbraw/zinc/06/67/44/563066744.db2.gz IWHKDPIAKYWOCM-NDEPHWFRSA-N 1 0 492.708 5.806 1 0 JKAFRO O=C(NC[C@@H](c1ccccc1)N1CC[NH+](C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000028523579 563066878 /nfs/dbraw/zinc/06/68/78/563066878.db2.gz NAQUXUSUTYLYRW-DEOSSOPVSA-N 1 0 475.464 5.807 1 0 JKAFRO O=C(NC[C@H](c1ccccc1)N1CC[NH+](C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000028523578 563066890 /nfs/dbraw/zinc/06/68/90/563066890.db2.gz NAQUXUSUTYLYRW-XMMPIXPASA-N 1 0 475.464 5.807 1 0 JKAFRO O=C(Nc1ccccc1NC(=O)c1ccc(Cl)s1)OCC1CCN(c2cc[nH+]cc2)CC1 ZINC000028523914 563067064 /nfs/dbraw/zinc/06/70/64/563067064.db2.gz NXERFAIVNCDXOA-UHFFFAOYSA-N 1 0 470.982 5.514 1 0 JKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CC[NH2+]C2CCCC2)c1 ZINC000028524672 563067197 /nfs/dbraw/zinc/06/71/97/563067197.db2.gz JGSWRBZQDGUIET-UHFFFAOYSA-N 1 0 455.562 6.005 1 0 JKAFRO NC(=[NH2+])c1ccc2ccc(CN(CCc3ccc(F)cc3)C(=O)c3cccc4ccccc43)cc2c1 ZINC000028524760 563067336 /nfs/dbraw/zinc/06/73/36/563067336.db2.gz CLXKYXAYHMUEJC-UHFFFAOYSA-N 1 0 475.567 6.301 1 0 JKAFRO COC[C@@H]1CCC[N@@H+]1CCCn1ncc2cc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 ZINC000028525418 563067539 /nfs/dbraw/zinc/06/75/39/563067539.db2.gz NQPPFMMJLSFGCB-VWLOTQADSA-N 1 0 499.615 5.974 1 0 JKAFRO O=C(Nc1ccccc1NC(=O)c1ccc(Cl)cc1)OCC1CCN(c2cc[nH+]cc2)CC1 ZINC000028525746 563067726 /nfs/dbraw/zinc/06/77/26/563067726.db2.gz OMLKLNNPYFQALD-UHFFFAOYSA-N 1 0 464.953 5.452 1 0 JKAFRO C[C@H]1CCN(C(=O)c2ccccc2)c2c(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cccc21 ZINC000028526237 563067821 /nfs/dbraw/zinc/06/78/21/563067821.db2.gz QQARGOMNAXCOKN-QFIPXVFZSA-N 1 0 496.680 5.815 1 0 JKAFRO C[C@@H]1CCN(C(=O)c2ccccc2)c2c(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cccc21 ZINC000028526236 563067852 /nfs/dbraw/zinc/06/78/52/563067852.db2.gz QQARGOMNAXCOKN-JOCHJYFZSA-N 1 0 496.680 5.815 1 0 JKAFRO CC(=O)N1CC[C@@H](c2ccccc2)c2cccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)c21 ZINC000028527282 563068078 /nfs/dbraw/zinc/06/80/78/563068078.db2.gz VCDWPVFNXMVFOB-VWLOTQADSA-N 1 0 496.680 5.550 1 0 JKAFRO Clc1ccc2c(c1)c(NC1CC[NH+](Cc3ccc4ccccc4c3)CC1)nn2Cc1ccccn1 ZINC000028530402 563068681 /nfs/dbraw/zinc/06/86/81/563068681.db2.gz SJRILSZPAVZTBJ-UHFFFAOYSA-N 1 0 482.031 6.363 1 0 JKAFRO O=C1NCN(c2ccc(C(F)(F)F)cc2)C12CC[NH+]([C@H]1CCCC[C@H]1c1ccccc1)CC2 ZINC000028564100 563069133 /nfs/dbraw/zinc/06/91/33/563069133.db2.gz NAWHVDJFVKAWPZ-GOTSBHOMSA-N 1 0 457.540 5.160 1 0 JKAFRO CC[NH+](CC)CCC[C@H](C)Nc1nc(-c2ccc(O)cc2)cc(-c2cc(OC)ccc2OC)n1 ZINC000028565009 563069324 /nfs/dbraw/zinc/06/93/24/563069324.db2.gz YPJNAQIHVIVPIW-IBGZPJMESA-N 1 0 464.610 5.456 1 0 JKAFRO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H]1CCCC[C@H]1c1ccc(Cl)c(C(F)(F)F)c1)CC2 ZINC000028566877 563069731 /nfs/dbraw/zinc/06/97/31/563069731.db2.gz YMDVHRSBNZMYOM-REWPJTCUSA-N 1 0 491.985 5.814 1 0 JKAFRO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H]1CCCC[C@H]1c1ccc(Cl)c(Cl)c1)CC2 ZINC000028566965 563069744 /nfs/dbraw/zinc/06/97/44/563069744.db2.gz ACWCTXXNGOIDBY-REWPJTCUSA-N 1 0 458.433 5.448 1 0 JKAFRO COc1cc(C[NH+]2CCC(N3C(=O)Nc4ccccc4[C@H]3c3ccccc3)CC2)cc(OC)c1 ZINC000028568135 563070056 /nfs/dbraw/zinc/07/00/56/563070056.db2.gz LVTCLDFSGDZRNY-HHHXNRCGSA-N 1 0 457.574 5.305 1 0 JKAFRO O=C(Cc1cccc(Oc2ccccc2)c1)NCCC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000028569148 563070298 /nfs/dbraw/zinc/07/02/98/563070298.db2.gz ZFOFFMWZGSBBJE-UHFFFAOYSA-N 1 0 454.614 5.508 1 0 JKAFRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000028569138 563070301 /nfs/dbraw/zinc/07/03/01/563070301.db2.gz ZNGOHJQLGLYQDC-SFHVURJKSA-N 1 0 461.433 5.247 1 0 JKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000028636829 563071893 /nfs/dbraw/zinc/07/18/93/563071893.db2.gz ZOYKEAZXWHUXDZ-JTSJOTPCSA-N 1 0 471.641 6.153 1 0 JKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC[C@@H]([NH+]2CCC(c3ccccc3)CC2)C1 ZINC000028645274 563073231 /nfs/dbraw/zinc/07/32/31/563073231.db2.gz KNQRIAFMOANTIX-NFBKMPQASA-N 1 0 498.511 6.389 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000028647178 563073572 /nfs/dbraw/zinc/07/35/72/563073572.db2.gz WLXHOZDJHXJURU-UHFFFAOYSA-N 1 0 461.220 5.841 1 0 JKAFRO Cc1cccc(C)c1-c1cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc2cc1C ZINC000028702762 563074705 /nfs/dbraw/zinc/07/47/05/563074705.db2.gz GSRMKXAXGOAUAK-UHFFFAOYSA-N 1 0 453.590 5.835 1 0 JKAFRO Oc1cccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccnc(-c4cccc(O)c4)c3)ccn2)c1 ZINC000028707561 563075632 /nfs/dbraw/zinc/07/56/32/563075632.db2.gz PUCINKJKLCJUIT-WMPKNSHKSA-N 1 0 478.596 5.071 1 0 JKAFRO Cc1cccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccnc(-c4cccc(C)c4)c3)ccn2)c1 ZINC000028707567 563075679 /nfs/dbraw/zinc/07/56/79/563075679.db2.gz LAZZJHDDDFMYQM-RNPORBBMSA-N 1 0 474.652 6.276 1 0 JKAFRO Cc1ccc(NC(=O)C(C)C)cc1C1CC[NH+](CCCNC(=O)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000028710186 563075984 /nfs/dbraw/zinc/07/59/84/563075984.db2.gz AFEOXYGIEXXWKX-NRFANRHFSA-N 1 0 467.629 5.218 1 0 JKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](CCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000028710164 563076051 /nfs/dbraw/zinc/07/60/51/563076051.db2.gz VSKUPRJZZDVXEM-UHFFFAOYSA-N 1 0 483.656 5.409 1 0 JKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](Cc3cccc(Oc4ccc(C(C)(C)C)cc4)c3)CC2)c1 ZINC000028710577 563076169 /nfs/dbraw/zinc/07/61/69/563076169.db2.gz LBFKAYUDAAUXBV-UHFFFAOYSA-N 1 0 484.684 7.751 1 0 JKAFRO O=C(Cc1ccccc1)Nc1cccc(C2CC[NH+](CCCC(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000028710574 563076206 /nfs/dbraw/zinc/07/62/06/563076206.db2.gz UIHOENHXMONZDL-UHFFFAOYSA-N 1 0 475.032 6.364 1 0 JKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)c1 ZINC000028710579 563076235 /nfs/dbraw/zinc/07/62/35/563076235.db2.gz WBQHYELYVXDTRY-UHFFFAOYSA-N 1 0 463.021 7.106 1 0 JKAFRO [NH3+]CC(=O)Nc1ccc(N2c3ccccc3C(C3CCCCC3)=NN(Cc3ccccc3)C2=O)cc1 ZINC000028711865 563076564 /nfs/dbraw/zinc/07/65/64/563076564.db2.gz IDJHHMXOXTVVKM-UHFFFAOYSA-N 1 0 481.600 5.642 1 0 JKAFRO C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[N@H+](C)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)[C@H]12 ZINC000028712084 563076775 /nfs/dbraw/zinc/07/67/75/563076775.db2.gz MBRMBUVWGVAUBU-AREXFGDPSA-N 1 0 470.535 5.546 1 0 JKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4ccccc4Cl)n2C)CC3)no1 ZINC000028712472 563077045 /nfs/dbraw/zinc/07/70/45/563077045.db2.gz OVGUUSWJYHCFLN-UHFFFAOYSA-N 1 0 494.064 5.682 1 0 JKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(C4CCCC4)n2C)CC3)no1 ZINC000028712492 563077050 /nfs/dbraw/zinc/07/70/50/563077050.db2.gz GRQQDQSHIQXVLZ-UHFFFAOYSA-N 1 0 451.640 5.019 1 0 JKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4cccc(Cl)c4)n2C)CC3)no1 ZINC000028712473 563077064 /nfs/dbraw/zinc/07/70/64/563077064.db2.gz DEIXGWIQADAVTO-UHFFFAOYSA-N 1 0 494.064 5.682 1 0 JKAFRO Fc1ccc(C(OCC[N@H+]2C[C@H]3C[C@@H](C2)N3C/C=C/c2cccs2)c2ccc(F)cc2)cc1 ZINC000028713797 563077426 /nfs/dbraw/zinc/07/74/26/563077426.db2.gz JDQFILCCEHSVIU-FJNLCSFGSA-N 1 0 466.597 5.604 1 0 JKAFRO CCCCN[C@H](c1ccc(Cl)cc1Cl)[C@H]([NH2+]CCCC)c1ccc(Cl)cc1Cl ZINC000028765380 563078556 /nfs/dbraw/zinc/07/85/56/563078556.db2.gz NEQZGYQZBDEPEM-FGZHOGPDSA-N 1 0 462.292 7.862 1 0 JKAFRO C[C@@H]1c2cccc3c2N(CC3)c2ccccc2N1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000028770236 563079054 /nfs/dbraw/zinc/07/90/54/563079054.db2.gz ALSUAKUAAVZZBP-JOCHJYFZSA-N 1 0 452.602 5.001 1 0 JKAFRO CC[NH+](CC)CCC[C@H](C)Nc1nc(NCc2ccc(Cl)cc2Cl)nc2nc[nH]c21 ZINC000028817825 563079965 /nfs/dbraw/zinc/07/99/65/563079965.db2.gz XVBLMXQFTOOAKN-AWEZNQCLSA-N 1 0 450.418 5.194 1 0 JKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc2ncccc2c(NCc2ccc(Cl)cc2Cl)n1 ZINC000028817853 563080001 /nfs/dbraw/zinc/08/00/01/563080001.db2.gz UHUBTBJXDKGMOK-MRXNPFEDSA-N 1 0 461.441 5.866 1 0 JKAFRO O[C@H]1CC[N@H+](Cc2ccc(CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)C1 ZINC000028821665 563080706 /nfs/dbraw/zinc/08/07/06/563080706.db2.gz VVFXZVXUOOVAMA-FQEVSTJZSA-N 1 0 456.533 6.075 1 0 JKAFRO CC(C)[NH2+]Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(N[C@@H](C)c2ccccc2)n1 ZINC000028822143 563080958 /nfs/dbraw/zinc/08/09/58/563080958.db2.gz AYHWAUANUSCCAH-FQEVSTJZSA-N 1 0 480.591 6.269 1 0 JKAFRO CC(C)[N@H+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCC(C)(C)C)n1 ZINC000028822171 563080959 /nfs/dbraw/zinc/08/09/59/563080959.db2.gz OFFYYPQMOPLLDI-UHFFFAOYSA-N 1 0 460.601 5.896 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccncc2)CN(C(=O)c2ccccc2)CC3)c1 ZINC000028823026 563081493 /nfs/dbraw/zinc/08/14/93/563081493.db2.gz FVAQVSZQOOFZFB-XMMPIXPASA-N 1 0 492.667 5.828 1 0 JKAFRO Cc1cccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC([NH3+])CC3)CC2)c1 ZINC000028825989 563082349 /nfs/dbraw/zinc/08/23/49/563082349.db2.gz XOPULFUXQZGWPS-UHFFFAOYSA-N 1 0 499.743 7.294 1 0 JKAFRO O[C@H]1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)[NH+]2CCC1CC2 ZINC000028826461 563082532 /nfs/dbraw/zinc/08/25/32/563082532.db2.gz WZWHOZHYDWXXKM-SOMWRMJPSA-N 1 0 457.799 5.533 1 0 JKAFRO CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(Oc4nc(CN5CCOCC5)cs4)ccc32)cc1 ZINC000028827090 563082865 /nfs/dbraw/zinc/08/28/65/563082865.db2.gz UOWNRACHYJYUBG-DEOSSOPVSA-N 1 0 467.660 5.067 1 0 JKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000028827097 563082925 /nfs/dbraw/zinc/08/29/25/563082925.db2.gz WBKDIPKHMHKOSN-QHCPKHFHSA-N 1 0 468.620 5.905 1 0 JKAFRO CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@H](C)[NH2+]CCC(C)(C)C)s1 ZINC000028827399 563083099 /nfs/dbraw/zinc/08/30/99/563083099.db2.gz AUHIFWMBYZBSOK-YWZLYKJASA-N 1 0 494.652 5.283 1 0 JKAFRO O=C(CN1CCCCC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863290 563083417 /nfs/dbraw/zinc/08/34/17/563083417.db2.gz KAQFUUDXCRYXOL-ZIQMFUFLSA-N 1 0 486.700 5.990 1 0 JKAFRO O=C(/C=C/c1ccccc1)O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863214 563083479 /nfs/dbraw/zinc/08/34/79/563083479.db2.gz JEYJGUOKCIBZEL-OATIQITPSA-N 1 0 477.648 6.828 1 0 JKAFRO O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028869716 563083946 /nfs/dbraw/zinc/08/39/46/563083946.db2.gz FPECFHTXABEENA-MHZLTWQESA-N 1 0 488.031 5.123 1 0 JKAFRO CCC(=O)N(c1ccccc1OC)C1CC[NH+](CCCCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000028869974 563084054 /nfs/dbraw/zinc/08/40/54/563084054.db2.gz XXEHEVRQWFQRHR-UHFFFAOYSA-N 1 0 487.644 5.266 1 0 JKAFRO O=C(NCCCCN1CCC[N@@H+](C(c2ccccc2)c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000028869804 563084071 /nfs/dbraw/zinc/08/40/71/563084071.db2.gz LDYSMWZYEMTWHM-UHFFFAOYSA-N 1 0 491.679 6.147 1 0 JKAFRO Cc1ccc(C[NH+]2CCC(CCN(Cc3ccc(-c4ccccc4)cc3)C(=O)NC(C)C)CC2)cc1 ZINC000028874276 563084311 /nfs/dbraw/zinc/08/43/11/563084311.db2.gz QMGLPDARLXBBQN-UHFFFAOYSA-N 1 0 483.700 6.884 1 0 JKAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(CSC)c3=O)CC2)C(C)C)c1 ZINC000028874762 563084334 /nfs/dbraw/zinc/08/43/34/563084334.db2.gz YVFIDBHSTMIDIS-AREMUKBSSA-N 1 0 497.705 5.571 1 0 JKAFRO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccccc3C(F)(F)F)oc21 ZINC000028877993 563084543 /nfs/dbraw/zinc/08/45/43/563084543.db2.gz RDAVKEYAUFGPDX-UHFFFAOYSA-N 1 0 497.513 6.703 1 0 JKAFRO COc1ccc(-c2cc3c(o2)c(OC)ccc3C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000028877965 563084571 /nfs/dbraw/zinc/08/45/71/563084571.db2.gz XDOMAOXDVFLDSK-UHFFFAOYSA-N 1 0 459.542 5.693 1 0 JKAFRO COc1cccc(-c2cc3c(o2)c(OC)ccc3C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000028877959 563084585 /nfs/dbraw/zinc/08/45/85/563084585.db2.gz HIASAPHKGILEIV-UHFFFAOYSA-N 1 0 459.542 5.693 1 0 JKAFRO C[NH+](C)CCOc1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 ZINC000028879152 563084656 /nfs/dbraw/zinc/08/46/56/563084656.db2.gz XNSZHQUDPHATEN-QFIPXVFZSA-N 1 0 458.562 5.088 1 0 JKAFRO OC[C@@H]1CCC[N@H+](CCC[C@@H]2CCCc3ccc(OCc4ccc(-c5ccccc5F)cn4)cc32)C1 ZINC000028880987 563084722 /nfs/dbraw/zinc/08/47/22/563084722.db2.gz WTXXDQPNIWXLNL-RPWUZVMVSA-N 1 0 488.647 6.371 1 0 JKAFRO COc1ccc2nccc([C@H]3CN(CC4CC[NH+](Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1 ZINC000028892381 563085162 /nfs/dbraw/zinc/08/51/62/563085162.db2.gz RRMYHKYZMNDGOW-HHHXNRCGSA-N 1 0 470.573 5.130 1 0 JKAFRO COc1ccc2nccc([C@H]3CN(C[C@@H]4CCC[N@H+](Cc5cc6ccccc6[nH]5)C4)C(=O)O3)c2c1 ZINC000028892393 563085185 /nfs/dbraw/zinc/08/51/85/563085185.db2.gz OBRNQODSNCZSMH-XHCCPWGMSA-N 1 0 470.573 5.130 1 0 JKAFRO CN1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2cc(Cl)ccc2Cl)C1 ZINC000028893080 563085316 /nfs/dbraw/zinc/08/53/16/563085316.db2.gz KRWTTWQHPPVRDH-QHCPKHFHSA-N 1 0 451.413 5.774 1 0 JKAFRO COc1ccc2nccc([C@@H]3CN(C4CC[NH+](Cc5cccc(Cl)c5)CC4)C(=O)O3)c2c1 ZINC000028893550 563085376 /nfs/dbraw/zinc/08/53/76/563085376.db2.gz ZBEZRCJKLIAIJX-DEOSSOPVSA-N 1 0 451.954 5.055 1 0 JKAFRO COc1ccc2nccc([C@@H]3CN(C4CC[NH+](Cc5ccc(Cl)cc5)CC4)C(=O)O3)c2c1 ZINC000028893537 563085396 /nfs/dbraw/zinc/08/53/96/563085396.db2.gz PYKMCNKQAJEMGI-DEOSSOPVSA-N 1 0 451.954 5.055 1 0 JKAFRO COc1ccc2nccc([C@H]3CN(C4CC[NH+](Cc5cc6ccccc6o5)CC4)C(=O)O3)c2c1 ZINC000028893393 563085398 /nfs/dbraw/zinc/08/53/98/563085398.db2.gz NEBVJGRFYWCFPT-AREMUKBSSA-N 1 0 457.530 5.148 1 0 JKAFRO COc1ccc2nccc([C@@H]3CN(C4CC[NH+](Cc5ccccc5Cl)CC4)C(=O)O3)c2c1 ZINC000028893564 563085442 /nfs/dbraw/zinc/08/54/42/563085442.db2.gz VARBXSDNTGNEBA-DEOSSOPVSA-N 1 0 451.954 5.055 1 0 JKAFRO O=C1NC(=Cc2ccc(C[NH2+]C3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899225 563085979 /nfs/dbraw/zinc/08/59/79/563085979.db2.gz ZCHRZUMAMPGDFF-ITYLOYPMSA-N 1 0 453.542 5.608 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000028903795 563086450 /nfs/dbraw/zinc/08/64/50/563086450.db2.gz AYPRBDIXIJJDIB-QHCPKHFHSA-N 1 0 470.020 6.589 1 0 JKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(N3CC(=O)N(c4cc(F)cc(C(F)(F)F)c4)C3=O)CC1)=CC2 ZINC000028957090 563088461 /nfs/dbraw/zinc/08/84/61/563088461.db2.gz JSGYEEFOTIZNBC-KKSFZXQISA-N 1 0 479.518 5.070 1 0 JKAFRO C[NH+]1CCC(COC[C@@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2Cl)CC1 ZINC000028957796 563088488 /nfs/dbraw/zinc/08/84/88/563088488.db2.gz LQLATHYUZIYBKS-HSZRJFAPSA-N 1 0 460.405 5.304 1 0 JKAFRO CC(C)[NH+]1CCC(CCC[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2)CC1 ZINC000028957641 563088495 /nfs/dbraw/zinc/08/84/95/563088495.db2.gz JXQJULBSYIEUJD-VWLOTQADSA-N 1 0 452.042 6.583 1 0 JKAFRO CC(C)[NH+]1CCC(CCC[C@@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2)CC1 ZINC000028957640 563088500 /nfs/dbraw/zinc/08/85/00/563088500.db2.gz JXQJULBSYIEUJD-RUZDIDTESA-N 1 0 452.042 6.583 1 0 JKAFRO CC(C)[NH+]1CCC(COC[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2)CC1 ZINC000028957629 563088526 /nfs/dbraw/zinc/08/85/26/563088526.db2.gz GXISPBQCHHVABH-VWLOTQADSA-N 1 0 454.014 5.429 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000028957821 563088560 /nfs/dbraw/zinc/08/85/60/563088560.db2.gz OXTXXOYXEVCBGN-KRXBUXKQSA-N 1 0 473.444 5.830 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@@H]3CC[C@H](NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 ZINC000028957851 563088584 /nfs/dbraw/zinc/08/85/84/563088584.db2.gz SRWUYSGGMLUKLS-SWRSHFLRSA-N 1 0 487.471 6.180 1 0 JKAFRO O=C(/C=C/c1cc(F)cc(F)c1)N[C@@H]1CC[C@@H](C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)C1 ZINC000028957885 563088586 /nfs/dbraw/zinc/08/85/86/563088586.db2.gz JNBDHNIJUIUTOU-ZKIDRFFNSA-N 1 0 460.515 5.421 1 0 JKAFRO CCCC(CCC)n1cc2c3c1cc(C)[nH+]c3N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2 ZINC000028958475 563088662 /nfs/dbraw/zinc/08/86/62/563088662.db2.gz WYDSZCZHTNUYDC-UHFFFAOYSA-N 1 0 483.500 8.218 1 0 JKAFRO NC(=O)c1ccc2[nH]c(-c3ccc(OCCC4CC[NH+](Cc5ccccc5)CC4)cc3)nc2c1 ZINC000028960894 563088920 /nfs/dbraw/zinc/08/89/20/563088920.db2.gz CRLCCIYMQDNMIB-UHFFFAOYSA-N 1 0 454.574 5.010 1 0 JKAFRO NC(=O)c1ccc2[nH]c(-c3ccc(OCC[C@@H]4CCCC[N@@H+]4Cc4ccccc4)cc3)nc2c1 ZINC000028960817 563088954 /nfs/dbraw/zinc/08/89/54/563088954.db2.gz GEOIJLDTPBVLEQ-QHCPKHFHSA-N 1 0 454.574 5.152 1 0 JKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2ccccc2F)n1 ZINC000028963575 563089193 /nfs/dbraw/zinc/08/91/93/563089193.db2.gz DUIKAMVHIYZMQU-UHFFFAOYSA-N 1 0 470.527 5.410 1 0 JKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2cc(F)cc(F)c2)n1 ZINC000028963680 563089209 /nfs/dbraw/zinc/08/92/09/563089209.db2.gz ZTHUFOUBZNJZBB-UHFFFAOYSA-N 1 0 488.517 5.549 1 0 JKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2cccc(F)c2)n1 ZINC000028963671 563089225 /nfs/dbraw/zinc/08/92/25/563089225.db2.gz DBFOUULXHFMONW-UHFFFAOYSA-N 1 0 470.527 5.410 1 0 JKAFRO CCC[N@H+](CCN1CCN(c2cccc(Cl)c2Cl)CC1)[C@H]1CCc2c(O)cccc2C1 ZINC000028964261 563089307 /nfs/dbraw/zinc/08/93/07/563089307.db2.gz VBPWMWMHKVCXQD-FQEVSTJZSA-N 1 0 462.465 5.091 1 0 JKAFRO Fc1ccc(C(OCCC2CCN(C[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c2ccc(F)cc2)cc1 ZINC000028967249 563089496 /nfs/dbraw/zinc/08/94/96/563089496.db2.gz IYYIIKZKWTVDLI-LJAQVGFWSA-N 1 0 476.611 5.887 1 0 JKAFRO O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000028967491 563089500 /nfs/dbraw/zinc/08/95/00/563089500.db2.gz RFLAHGCHGNEDLB-UHFFFAOYSA-N 1 0 486.641 5.488 1 0 JKAFRO CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000029037838 563090565 /nfs/dbraw/zinc/09/05/65/563090565.db2.gz IOWBIYUCUUAVQS-UHFFFAOYSA-N 1 0 489.704 6.289 1 0 JKAFRO CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CC[NH+](C)CC2)c2ccccc21 ZINC000029037834 563090635 /nfs/dbraw/zinc/09/06/35/563090635.db2.gz TUMNQBGNOIQMMR-UHFFFAOYSA-N 1 0 488.720 6.080 1 0 JKAFRO O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@H](C2CCCCC2)[C@@H]1C[NH+]1CCCC1 ZINC000029042985 563091900 /nfs/dbraw/zinc/09/19/00/563091900.db2.gz UPMTYUYDAFAUKV-VWNXMTODSA-N 1 0 459.099 6.381 1 0 JKAFRO O=C(Cc1csc2ccc(Br)cc12)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1 ZINC000029042912 563091971 /nfs/dbraw/zinc/09/19/71/563091971.db2.gz XBMZLNQUCOTWSL-VWNXMTODSA-N 1 0 497.502 6.077 1 0 JKAFRO O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@@H](c2ccccc2)[C@H]1C[NH+]1CCCC1 ZINC000029043593 563091987 /nfs/dbraw/zinc/09/19/87/563091987.db2.gz QHWIORVFWIPRAT-LADGPHEKSA-N 1 0 453.051 5.968 1 0 JKAFRO O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3ccccc3Cl)ccc21 ZINC000029049020 563092795 /nfs/dbraw/zinc/09/27/95/563092795.db2.gz WRGURIKVQFBPRG-ULJHMMPZSA-N 1 0 487.003 5.793 1 0 JKAFRO COc1ccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)NC3=O)cc1 ZINC000029049310 563092904 /nfs/dbraw/zinc/09/29/04/563092904.db2.gz YCNJBJAUJQGODX-IMRQLAEWSA-N 1 0 482.584 5.148 1 0 JKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2cc(F)c(Cl)cc21 ZINC000029052738 563093178 /nfs/dbraw/zinc/09/31/78/563093178.db2.gz CXBILXFGXPBMDJ-DEOSSOPVSA-N 1 0 464.412 5.725 1 0 JKAFRO CCc1cccc(CC)c1-c1cc(CC)c2c(n1)CCC[C@H]2[N@H+](C)Cc1cccc2ccccc21 ZINC000029054353 563093327 /nfs/dbraw/zinc/09/33/27/563093327.db2.gz SNHDOLGZGJLJPR-WJOKGBTCSA-N 1 0 462.681 8.098 1 0 JKAFRO CCc1cccc(CC)c1-c1cc(CC)c2c(n1)CCC[C@@H]2[N@H+](C)Cc1cccc2ccccc21 ZINC000029054350 563093376 /nfs/dbraw/zinc/09/33/76/563093376.db2.gz SNHDOLGZGJLJPR-HKBQPEDESA-N 1 0 462.681 8.098 1 0 JKAFRO CC[C@@]1(c2cccc(O)c2)CCCCN(CC[N@@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029056035 563093611 /nfs/dbraw/zinc/09/36/11/563093611.db2.gz RMHAJXOOJPBLSR-LOYHVIPDSA-N 1 0 464.694 6.065 1 0 in-vivo JKAFRO O=C(NC1CC[NH+](Cc2ccc3cc(F)ccc3c2)CC1)c1ccccc1Oc1ccccc1 ZINC000029123121 563094184 /nfs/dbraw/zinc/09/41/84/563094184.db2.gz HKYVHRBKOWJRPW-UHFFFAOYSA-N 1 0 454.545 6.166 1 0 JKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5ncoc5cc4CC3)n2C)n1 ZINC000029126805 563095364 /nfs/dbraw/zinc/09/53/64/563095364.db2.gz HRBGKICNPOCYPZ-UHFFFAOYSA-N 1 0 484.629 5.063 1 0 JKAFRO Cn1c(SCCC[N@@H+]2CCc3ccc4oc(C(F)(F)F)nc4c3CC2)nnc1-c1ccccc1 ZINC000029127014 563095462 /nfs/dbraw/zinc/09/54/62/563095462.db2.gz PMOFOATUAABMTD-UHFFFAOYSA-N 1 0 487.551 5.225 1 0 JKAFRO Fc1ccc(C[C@@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CC[N@@H+](Cc2ccncc2)C3)cc1 ZINC000029128016 563096087 /nfs/dbraw/zinc/09/60/87/563096087.db2.gz SKESTLBPFVXIPV-LJAQVGFWSA-N 1 0 468.551 5.620 1 0 JKAFRO Fc1ccc(C[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CC[N@@H+](Cc2ccccn2)C3)cc1 ZINC000029128117 563096102 /nfs/dbraw/zinc/09/61/02/563096102.db2.gz ZJBUZFTUQSSYEH-GDLZYMKVSA-N 1 0 468.551 5.620 1 0 JKAFRO CC(=O)c1cc(NC(=O)N[C@@H](C)CC[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(C(C)=O)c1 ZINC000029130212 563096946 /nfs/dbraw/zinc/09/69/46/563096946.db2.gz YMMAHNYFXNAREN-AVRDEDQJSA-N 1 0 467.585 5.086 1 0 JKAFRO C[C@H](NC(=O)CCCCCCCCCCCCCCC[n+]1ccccc1)[C@H](O)c1ccccc1 ZINC000029132109 563097285 /nfs/dbraw/zinc/09/72/85/563097285.db2.gz LTENFDLDAZMGHP-FIBWVYCGSA-O 1 0 467.718 6.674 1 0 JKAFRO Cc1cccc(/C=C/c2ccc3nc(NC4CC[NH+](C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134517 563097904 /nfs/dbraw/zinc/09/79/04/563097904.db2.gz VLSYIRBTVVACBF-CMDGGOBGSA-N 1 0 467.617 5.479 1 0 JKAFRO c1ccc(COCCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1 ZINC000029204373 563098285 /nfs/dbraw/zinc/09/82/85/563098285.db2.gz DTKHBDWLVRZIQF-SAIUNTKASA-N 1 0 495.663 6.626 1 0 JKAFRO O[C@H]1C[NH2+]C[C@H](OCc2ccc3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2)cc1 ZINC000029206229 563098349 /nfs/dbraw/zinc/09/83/49/563098349.db2.gz WQXFNPSHIWXABP-CPCREDONSA-N 1 0 497.635 5.459 1 0 JKAFRO CC(=O)c1c(=O)n(CC[NH+]2CCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000029206318 563098378 /nfs/dbraw/zinc/09/83/78/563098378.db2.gz FKPLVZBBJCIEPH-UHFFFAOYSA-N 1 0 456.373 5.183 1 0 JKAFRO c1ccc(CCOCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1 ZINC000029205467 563098386 /nfs/dbraw/zinc/09/83/86/563098386.db2.gz JTZXQEATWZNLOK-ZWXJPIIXSA-N 1 0 481.636 6.140 1 0 JKAFRO c1ccc(COCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cn2)cc1 ZINC000029210430 563098491 /nfs/dbraw/zinc/09/84/91/563098491.db2.gz YMANGYDCCDCVQG-IHLOFXLRSA-N 1 0 482.624 5.883 1 0 JKAFRO COc1ccccc1[C@H]1C(C(=O)OCC[NH+](C)C)=C(C)N=C2SC(c3ccc(Cl)cc3)=CN21 ZINC000029341452 563101068 /nfs/dbraw/zinc/10/10/68/563101068.db2.gz ZKTDWLJTUNSWPD-QHCPKHFHSA-N 1 0 484.021 5.186 1 0 JKAFRO COCc1ccnc2c(N[C@H](C)CCC[NH3+])cc(OC)c(Oc3cccc(C(F)(F)F)c3)c12 ZINC000029346240 563101387 /nfs/dbraw/zinc/10/13/87/563101387.db2.gz ZSAQXHPYNLJELY-OAHLLOKOSA-N 1 0 463.500 5.740 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3cc4ccccc4cn3)C[C@H]2Cc2ccccc2)c1 ZINC000029389793 563101601 /nfs/dbraw/zinc/10/16/01/563101601.db2.gz PGMFRRGJAYYKKA-MFMCTBQISA-N 1 0 463.625 5.857 1 0 JKAFRO C[C@H]1[C@H]2Cc3ccc(SC(=O)c4ccc(Cl)cc4)cc3[C@]1(C)CC[N@@H+]2CCc1ccccc1 ZINC000029401185 563102582 /nfs/dbraw/zinc/10/25/82/563102582.db2.gz JMXAWGRDYSQVBO-FCIAUAKVSA-N 1 0 476.085 7.039 1 0 JKAFRO COc1ccc([C@]2(c3ccc(OCC[NH+](C)C)cc3)[C@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000029404737 563102813 /nfs/dbraw/zinc/10/28/13/563102813.db2.gz LWYSPLVNMSFSTO-DQEYMECFSA-N 1 0 456.413 5.893 1 0 JKAFRO [NH2+]=C(Cc1ccc2ccccc2c1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000029465988 563104156 /nfs/dbraw/zinc/10/41/56/563104156.db2.gz QRVUNWLQVXLVHP-UHFFFAOYSA-N 1 0 454.017 6.420 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)NC(C)C)cc3c2CC[NH2+]CCCCc2cccnc2)c1 ZINC000029467919 563104310 /nfs/dbraw/zinc/10/43/10/563104310.db2.gz HLIRESRMCZSYSD-UHFFFAOYSA-N 1 0 482.672 6.140 1 0 JKAFRO Cc1ccccc1C(=O)N1CCC([NH+]2CCC(Cc3ccc(C(=O)NC(C)(C)C)cc3)CC2)CC1 ZINC000029472424 563104757 /nfs/dbraw/zinc/10/47/57/563104757.db2.gz TWPFYIIQRRJSJP-UHFFFAOYSA-N 1 0 475.677 5.083 1 0 JKAFRO Cc1ccc(N2CNC(=O)C23CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC3)cc1 ZINC000029479101 563105096 /nfs/dbraw/zinc/10/50/96/563105096.db2.gz AITAREBNJHPFFS-UHFFFAOYSA-N 1 0 490.598 5.230 1 0 JKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029484036 563105489 /nfs/dbraw/zinc/10/54/89/563105489.db2.gz KBPPQUQBMBTHON-UHFFFAOYSA-N 1 0 472.460 6.183 1 0 JKAFRO Cn1c2ccccc2nc1NC1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000029554892 563106563 /nfs/dbraw/zinc/10/65/63/563106563.db2.gz GQPJJPGOMFKYRI-UHFFFAOYSA-N 1 0 474.599 6.340 1 0 JKAFRO ClC(Cl)(Cl)c1nc(NCCCCC[NH+]2CCCC2)nc(C(Cl)(Cl)Cl)n1 ZINC000029560853 563106969 /nfs/dbraw/zinc/10/69/69/563106969.db2.gz SQCKZRBCEMPGJR-UHFFFAOYSA-N 1 0 470.059 5.203 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(CCO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000029560308 563106996 /nfs/dbraw/zinc/10/69/96/563106996.db2.gz RIPLBEGVRWQMCK-JOCHJYFZSA-N 1 0 463.449 5.334 1 0 JKAFRO CN(C[C@H](CC[NH+]1CCC(C(C)(C)O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000029562497 563107177 /nfs/dbraw/zinc/10/71/77/563107177.db2.gz DAJSDTWHSJMFGK-NRFANRHFSA-N 1 0 477.476 5.722 1 0 JKAFRO CCn1c2ccccc2nc1NC1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000029563861 563107299 /nfs/dbraw/zinc/10/72/99/563107299.db2.gz PILRLNAEOGGWLK-UHFFFAOYSA-N 1 0 488.626 6.823 1 0 JKAFRO COc1cc(NC[C@@H](C)SCC[NH3+])c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000029571837 563107808 /nfs/dbraw/zinc/10/78/08/563107808.db2.gz WNXGHHIWNSYKLL-OAHLLOKOSA-N 1 0 465.541 5.855 1 0 JKAFRO CC(=O)O[C@H]1[C@H](n2ccnc2)C[C@H]2[C@@H]3CC=C4C[C@@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000031872203 563108817 /nfs/dbraw/zinc/10/88/17/563108817.db2.gz KZPNCXIHDYJAKC-JPNMGIMYSA-N 1 0 451.655 5.393 1 0 JKAFRO CC(=O)O[C@@H]1[C@H](C2CCCCC2)C[N+](=O)O[C@@H]1O[C@H]1CCCC1(c1ccccc1)c1ccccc1 ZINC000031900139 563108992 /nfs/dbraw/zinc/10/89/92/563108992.db2.gz NCRVIABJZOZIQS-BPXGVECKSA-N 1 0 477.601 5.522 1 0 JKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCCCCc1ccccc1 ZINC000032023135 563109292 /nfs/dbraw/zinc/10/92/92/563109292.db2.gz BSZHJWDYFPHDAR-DEOSSOPVSA-N 1 0 477.693 7.053 1 0 JKAFRO O=C(c1ccc(F)cc1)C1CC[NH+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000033829173 563110975 /nfs/dbraw/zinc/11/09/75/563110975.db2.gz SRUJOJFCFGQVAS-UHFFFAOYSA-N 1 0 481.036 7.067 1 0 JKAFRO O=C1Nc2ccccc2CN1C1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000034000453 563111592 /nfs/dbraw/zinc/11/15/92/563111592.db2.gz VIFTVZXHSXLYNF-UHFFFAOYSA-N 1 0 475.583 6.389 1 0 JKAFRO COc1cccc2c1[C@@]13CC[N@H+](CC4CC4)[C@@H](C2)[C@]1(OCCCc1ccccc1)CCC(=O)C3 ZINC000034074020 563111956 /nfs/dbraw/zinc/11/19/56/563111956.db2.gz UFAUQZKEVAHHCZ-LOAGWBBBSA-N 1 0 459.630 5.115 1 0 JKAFRO COc1cc(N(C)C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000034310498 563112993 /nfs/dbraw/zinc/11/29/93/563112993.db2.gz KJTVODBASOXOHW-UHFFFAOYSA-N 1 0 460.618 6.136 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000034289876 563113025 /nfs/dbraw/zinc/11/30/25/563113025.db2.gz YNWHRSSANNRIEM-UHFFFAOYSA-N 1 0 495.566 5.203 1 0 JKAFRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(OCc2ccccc2)ccc(OCc2ccccc2)c1OC ZINC000034343083 563113191 /nfs/dbraw/zinc/11/31/91/563113191.db2.gz UCSPRWCFKNGDEC-DEOSSOPVSA-N 1 0 474.601 5.067 1 0 JKAFRO [NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4cccs4)c3c2)c1)Cc1c[nH]c2ccccc12 ZINC000034377158 563113473 /nfs/dbraw/zinc/11/34/73/563113473.db2.gz XNTHEVROOFPCLS-FQEVSTJZSA-N 1 0 465.582 5.784 1 0 JKAFRO Cc1ccccc1/C=C1\CSC[C@@H]2C1=NN(CCC[NH+]1CCN(C)CC1)[C@@H]2c1ccccc1C ZINC000034588902 563113946 /nfs/dbraw/zinc/11/39/46/563113946.db2.gz FTPOJBVPYPHMRV-OCRUCBGJSA-N 1 0 474.718 5.100 1 0 JKAFRO CC[N@@H+]1CCC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000034662408 563114541 /nfs/dbraw/zinc/11/45/41/563114541.db2.gz BKZACLJXDQEZGG-QFIPXVFZSA-N 1 0 459.474 6.685 1 0 JKAFRO FC(F)(F)c1cc(COC[C@@]2(c3ccccc3)CC[C@@H]([NH+]3CCCCC3)C2)cc(C(F)(F)F)c1 ZINC000034662993 563114546 /nfs/dbraw/zinc/11/45/46/563114546.db2.gz SVNARMJNQZDVGN-DNQXCXABSA-N 1 0 485.512 7.217 1 0 JKAFRO CCCC[NH+](CCCC)CCCNc1nc2ccccc2c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000034802004 563115881 /nfs/dbraw/zinc/11/58/81/563115881.db2.gz GHCWPKGALCSVHZ-UHFFFAOYSA-N 1 0 473.587 7.096 1 0 JKAFRO CC[NH+](CC)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804160 563116404 /nfs/dbraw/zinc/11/64/04/563116404.db2.gz XFBHKDFRWTZZIS-FQEVSTJZSA-N 1 0 475.477 5.013 1 0 JKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](NCC[NH+]1CCCCC1)c1ccccc1 ZINC000034804135 563116419 /nfs/dbraw/zinc/11/64/19/563116419.db2.gz BHCROBUDGYXOFC-OAQYLSRUSA-N 1 0 487.488 5.157 1 0 JKAFRO CCCCCC(=O)NCc1ccc(O)c(-c2cccc(-c3cc4cc(C(N)=[NH2+])ccc4[nH]3)c2O)c1 ZINC000034804702 563116512 /nfs/dbraw/zinc/11/65/12/563116512.db2.gz OXXPVIVPWPSWCW-UHFFFAOYSA-N 1 0 470.573 5.394 1 0 JKAFRO CCC[N@H+](CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)[C@@H]1CCc2ccc(O)cc2C1 ZINC000034875785 563117275 /nfs/dbraw/zinc/11/72/75/563117275.db2.gz MHNXSUUHELFLSP-SSEXGKCCSA-N 1 0 469.673 5.451 1 0 JKAFRO CCC[N@H+](CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)[C@H]1CCc2ccc(O)cc2C1 ZINC000034875786 563117324 /nfs/dbraw/zinc/11/73/24/563117324.db2.gz MHNXSUUHELFLSP-PMERELPUSA-N 1 0 469.673 5.451 1 0 JKAFRO COc1cc(C(=O)N(CCC[N@@H+]2CCCC[C@H]2C)C/C(C)=C/c2ccccc2)cc(OC)c1OC ZINC000034947399 563117678 /nfs/dbraw/zinc/11/76/78/563117678.db2.gz PCGHBTIIIVGRFY-OEZHIIBRSA-N 1 0 480.649 5.523 1 0 JKAFRO Cc1noc2c1c(SCCC[NH+]1CCN(c3ccc(F)cc3)CC1)nnc2-c1ccccc1 ZINC000035080204 563119023 /nfs/dbraw/zinc/11/90/23/563119023.db2.gz KSWCYLHDVYVYTK-UHFFFAOYSA-N 1 0 463.582 5.037 1 0 JKAFRO Cc1cccc(Cl)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 ZINC000035822285 563120562 /nfs/dbraw/zinc/12/05/62/563120562.db2.gz UAMFSDJWIBUFFW-GSLIJJQTSA-N 1 0 494.079 5.090 1 0 JKAFRO CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](CCCCCCc1ccccc1)CC2 ZINC000035904178 563121158 /nfs/dbraw/zinc/12/11/58/563121158.db2.gz OQSIIUVZTJSDNB-MHZLTWQESA-N 1 0 481.725 5.332 1 0 JKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000035903051 563121230 /nfs/dbraw/zinc/12/12/30/563121230.db2.gz GRDNNNQJCZJMHL-OAQYLSRUSA-N 1 0 475.464 5.098 1 0 JKAFRO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000035936407 563121348 /nfs/dbraw/zinc/12/13/48/563121348.db2.gz QVLIXEZADCIAGA-JGCGQSQUSA-N 1 0 489.663 6.510 1 0 JKAFRO O=C(Nc1ccc(F)cc1)O[C@H](CC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000035974597 563121586 /nfs/dbraw/zinc/12/15/86/563121586.db2.gz MHBIIYXHZOETAS-RUZDIDTESA-N 1 0 482.983 6.143 1 0 JKAFRO O=C(Nc1cccc2ccccc21)O[C@@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000035985098 563121714 /nfs/dbraw/zinc/12/17/14/563121714.db2.gz GWISHPBAFMUVHK-LOYHVIPDSA-N 1 0 462.593 6.683 1 0 JKAFRO FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CC[C@@H]([NH+]3CCOCC3)C2)cc(C(F)(F)F)c1 ZINC000035985536 563121795 /nfs/dbraw/zinc/12/17/95/563121795.db2.gz KNSNLGZARQKZRO-PKTZIBPZSA-N 1 0 487.484 6.064 1 0 JKAFRO FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CC[C@H]([NH+]3CCOCC3)C2)cc(C(F)(F)F)c1 ZINC000035985534 563121809 /nfs/dbraw/zinc/12/18/09/563121809.db2.gz KNSNLGZARQKZRO-GOTSBHOMSA-N 1 0 487.484 6.064 1 0 JKAFRO Cc1cc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)Nc2cccc(F)c2)ccc1F ZINC000035999276 563121876 /nfs/dbraw/zinc/12/18/76/563121876.db2.gz SUXUDRZHKMVXQJ-UHFFFAOYSA-N 1 0 494.542 5.535 1 0 JKAFRO CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CC[N@@H+]2CC2CC2)c1 ZINC000036093277 563122186 /nfs/dbraw/zinc/12/21/86/563122186.db2.gz UCYBGEFJKJSJQI-HOFKKMOUSA-N 1 0 465.613 5.663 1 0 JKAFRO COC(=O)c1c(Cl)cccc1-c1ccc(CNc2cc(C[NH+]3CCCCC3)ccn2)c(F)c1 ZINC000036161631 563123108 /nfs/dbraw/zinc/12/31/08/563123108.db2.gz FQRSFCOCYJWHNX-UHFFFAOYSA-N 1 0 467.972 5.926 1 0 JKAFRO C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285448 563125248 /nfs/dbraw/zinc/12/52/48/563125248.db2.gz ALICJAVKXRNQDP-AWEZNQCLSA-N 1 0 474.354 5.313 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000036285720 563125265 /nfs/dbraw/zinc/12/52/65/563125265.db2.gz LHXZSBCSKZHCLQ-NRFANRHFSA-N 1 0 483.962 5.132 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2cccs2)CC1 ZINC000036285478 563125286 /nfs/dbraw/zinc/12/52/86/563125286.db2.gz ZSUTVDYILSHLQK-FQEVSTJZSA-N 1 0 453.574 5.094 1 0 JKAFRO C[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285451 563125301 /nfs/dbraw/zinc/12/53/01/563125301.db2.gz ALICJAVKXRNQDP-CQSZACIVSA-N 1 0 474.354 5.313 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2cccc(Cl)c2)CC1 ZINC000036285775 563125344 /nfs/dbraw/zinc/12/53/44/563125344.db2.gz YHYVINUYPDBICW-NRFANRHFSA-N 1 0 483.962 5.132 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000036285842 563125346 /nfs/dbraw/zinc/12/53/46/563125346.db2.gz DWVWQBKUBALOEF-JPYJTQIMSA-N 1 0 462.465 5.567 1 0 JKAFRO Cc1ccc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)c(C)c1 ZINC000036285865 563125353 /nfs/dbraw/zinc/12/53/53/563125353.db2.gz WQWYZEABOSKYSV-BWKNWUBXSA-N 1 0 489.626 5.896 1 0 JKAFRO COc1cccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000036285804 563125381 /nfs/dbraw/zinc/12/53/81/563125381.db2.gz QCNZJTMUODZSDV-QHCPKHFHSA-N 1 0 477.571 5.041 1 0 JKAFRO Cc1ccc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)cc1C ZINC000036285783 563125387 /nfs/dbraw/zinc/12/53/87/563125387.db2.gz NMCAXQLLMNGADX-OFVILXPXSA-N 1 0 489.626 5.896 1 0 JKAFRO FC(F)(F)c1cc(CO[C@H]2CC[C@@H](C[NH+]3CCOCC3)[C@@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000036324293 563125786 /nfs/dbraw/zinc/12/57/86/563125786.db2.gz MCZABOOQUVJJJL-VJBMBRPKSA-N 1 0 487.484 6.135 1 0 JKAFRO FC(F)(F)c1cc(CO[C@H]2CC[C@@H](C[NH+]3CCCCC3)[C@@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000036324253 563125798 /nfs/dbraw/zinc/12/57/98/563125798.db2.gz WEQFWNUSYJUVBN-OYDLWJJNSA-N 1 0 485.512 7.289 1 0 JKAFRO C[NH+](C)[C@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(Cl)cc5Cl)ccc4c3=O)cn2)C1 ZINC000036351531 563126894 /nfs/dbraw/zinc/12/68/94/563126894.db2.gz DBDZPSIDZCVRCS-IBGZPJMESA-N 1 0 480.395 5.969 1 0 JKAFRO O=C(CCC[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000036351459 563126896 /nfs/dbraw/zinc/12/68/96/563126896.db2.gz TWYCNBQSLNYJIC-UHFFFAOYSA-N 1 0 492.457 6.060 1 0 JKAFRO O=C(CCC[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(CCCO)cc1 ZINC000036351455 563126898 /nfs/dbraw/zinc/12/68/98/563126898.db2.gz IYAIWXMTHZPRGI-UHFFFAOYSA-N 1 0 471.641 5.223 1 0 JKAFRO CC[NH+](CC)Cc1cnc2c(cccc2Cn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)c1 ZINC000036351783 563127070 /nfs/dbraw/zinc/12/70/70/563127070.db2.gz GNMGUQXSPWNRIU-UHFFFAOYSA-N 1 0 489.044 6.217 1 0 JKAFRO COc1ccc([C@H](CC[N@@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc1 ZINC000036378314 563127355 /nfs/dbraw/zinc/12/73/55/563127355.db2.gz YCEJCHONGICRJP-AVRDEDQJSA-N 1 0 465.590 5.381 3 0 JKAFRO COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(Cl)c2)=[NH+][C@H]1c1ccccc1 ZINC000036379138 563127367 /nfs/dbraw/zinc/12/73/67/563127367.db2.gz BPBMZLGGBMNXNV-VWLOTQADSA-N 1 0 459.977 5.490 3 0 JKAFRO COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(Cl)c2)=[NH+][C@H]1c1cccc(F)c1 ZINC000036379166 563127467 /nfs/dbraw/zinc/12/74/67/563127467.db2.gz DUUGWZZBWVUIJS-VWLOTQADSA-N 1 0 477.967 5.629 3 0 JKAFRO CCN1C(C)=C(C(=O)OC)[C@H](c2cccc(C(F)(F)F)c2)[NH+]=C1N(C)CCc1c[nH]c2ccccc12 ZINC000036381695 563127778 /nfs/dbraw/zinc/12/77/78/563127778.db2.gz MMFZIHYBUFZWKX-DEOSSOPVSA-N 1 0 498.549 5.541 3 0 JKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2ccc(OCCC[NH+]3CCCCC3)cc2CC1 ZINC000036413447 563130042 /nfs/dbraw/zinc/13/00/42/563130042.db2.gz APQZEKKGBCHLJB-UHFFFAOYSA-N 1 0 476.448 5.881 1 0 JKAFRO C[NH+](C)C12C[C@@H](OC(=O)c3ccc(Cl)cc3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000036474548 563130359 /nfs/dbraw/zinc/13/03/59/563130359.db2.gz OVHLHSHPICYDSM-UFMDMHFFSA-N 1 0 460.017 6.547 1 0 JKAFRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cccc2ccccc21 ZINC000036476085 563130381 /nfs/dbraw/zinc/13/03/81/563130381.db2.gz ZFLDWLZORARQEQ-GRFCFPJTSA-N 1 0 477.457 6.087 1 0 JKAFRO CCO[C@@H]1C[N@H+](C)CCN1c1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1 ZINC000037858302 563130859 /nfs/dbraw/zinc/13/08/59/563130859.db2.gz MBXYRBTXYNKZPP-AREMUKBSSA-N 1 0 482.632 5.475 1 0 JKAFRO O=C(NCCCCCC[N@H+]1CC[C@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000038140576 563131217 /nfs/dbraw/zinc/13/12/17/563131217.db2.gz NCNZEUCJDCGDDP-YTMVLYRLSA-N 1 0 489.610 6.265 1 0 JKAFRO O=C1NC[C@H](c2ccccc2)C12CC[NH+](C1(c3ccc(C(F)(F)F)cc3)CCCCC1)CC2 ZINC000038147562 563131806 /nfs/dbraw/zinc/13/18/06/563131806.db2.gz GMVXWTDIBQXJQT-HSZRJFAPSA-N 1 0 456.552 5.861 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)OC[C@H](C[NH+]1CCCC1)O2 ZINC000038149705 563132053 /nfs/dbraw/zinc/13/20/53/563132053.db2.gz LXZGGZWBBGPVIA-IBGZPJMESA-N 1 0 479.989 5.003 1 0 JKAFRO C[NH+](C)C[C@H]1CCc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2C1 ZINC000038149696 563132101 /nfs/dbraw/zinc/13/21/01/563132101.db2.gz MLELJHRGOKUEGH-INIZCTEOSA-N 1 0 450.007 5.434 1 0 JKAFRO C[C@H](Oc1cc(-c2cnn([C@@H]3CCC[NH2+]C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000038210762 563133108 /nfs/dbraw/zinc/13/31/08/563133108.db2.gz WRFQMXGREAFPSC-SWLSCSKDSA-N 1 0 450.345 5.038 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCCC[NH+]3CCCCC3)cc2)c1-c1ccc(O)cc1 ZINC000038381699 563134175 /nfs/dbraw/zinc/13/41/75/563134175.db2.gz CSGBJDAQZKIPGE-UHFFFAOYSA-N 1 0 470.613 6.331 1 0 JKAFRO O=C(Nc1nc2cc(C[NH+]3CCCCC3)ccc2n1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000038402726 563134206 /nfs/dbraw/zinc/13/42/06/563134206.db2.gz CLRGCYMGDBZQTB-UHFFFAOYSA-N 1 0 478.518 6.283 1 0 JKAFRO [NH2+]=C(c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1 ZINC000038472783 563134781 /nfs/dbraw/zinc/13/47/81/563134781.db2.gz RJVXINGGXJSBLR-UHFFFAOYSA-N 1 0 482.371 5.314 1 0 JKAFRO C[N@@H+]1CCCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000038474023 563134839 /nfs/dbraw/zinc/13/48/39/563134839.db2.gz JQVVHRAPRYDLFJ-UHFFFAOYSA-N 1 0 498.414 5.035 1 0 JKAFRO COc1ccc(-c2c(C)c3cc(OC)ccc3n2Cc2ccc(OCC[NH+]3CCCCCC3)cc2)cc1 ZINC000038475816 563134867 /nfs/dbraw/zinc/13/48/67/563134867.db2.gz YFUDYZBTDAIZAO-UHFFFAOYSA-N 1 0 498.667 6.937 1 0 JKAFRO COc1ccc(Nc2ccc(CC[NH2+]C[C@@H](O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1 ZINC000038481389 563134880 /nfs/dbraw/zinc/13/48/80/563134880.db2.gz CJOMMFVMZGNTNI-GDLZYMKVSA-N 1 0 484.596 5.169 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC000038516129 563134953 /nfs/dbraw/zinc/13/49/53/563134953.db2.gz BKYSDHKFCYGRPX-JIZZLUJTSA-N 1 0 494.520 5.692 1 0 JKAFRO CN(CCC[NH+]1CCC2(CC1)OCc1ccccc12)C(=O)[C@@H](c1ccccc1)c1ccc(F)c(F)c1 ZINC000038803668 563135544 /nfs/dbraw/zinc/13/55/44/563135544.db2.gz IOVSXXYNGKBAID-NDEPHWFRSA-N 1 0 490.594 5.467 1 0 JKAFRO C[C@@]1(CCc2ccccc2)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CCC2)[C@H](O5)C1=O ZINC000040368733 563136993 /nfs/dbraw/zinc/13/69/93/563136993.db2.gz NLXNHMISEPLMNT-LQDQZETLSA-N 1 0 457.614 5.050 1 0 JKAFRO COc1ccc2c3c1O[C@@H]1[C@@H](O)[C@](C)(CCCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000040368836 563137083 /nfs/dbraw/zinc/13/70/83/563137083.db2.gz PJOCZBOZFMFWLZ-AUFFXGDCSA-N 1 0 487.684 5.535 1 0 JKAFRO C[C@@]1(CCCCc2ccccc2)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CCC2)[C@H](O5)C1=O ZINC000040368825 563137090 /nfs/dbraw/zinc/13/70/90/563137090.db2.gz UENSAMJFQMNZDZ-CONRADAPSA-N 1 0 485.668 5.830 1 0 JKAFRO Oc1ccc2c3c1O[C@@H]1[C@H]4OC[C@@]4(CCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000040368753 563137151 /nfs/dbraw/zinc/13/71/51/563137151.db2.gz ZEOAOVNXZDWIFZ-JEMAVMGYSA-N 1 0 471.641 5.250 1 0 JKAFRO CC(=O)O[C@@H](Cc1ccccc1)CN1CC[NH+](CCCCn2c3ccccc3c3ccccc32)CC1 ZINC000040379485 563137196 /nfs/dbraw/zinc/13/71/96/563137196.db2.gz RSMGUCGGAWMGDC-MHZLTWQESA-N 1 0 483.656 5.367 1 0 JKAFRO Fc1ccc(-c2cc(C3CC[NH+](Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)no2)cc1 ZINC000040390943 563137769 /nfs/dbraw/zinc/13/77/69/563137769.db2.gz UHPJOZZZYBPFAX-UHFFFAOYSA-N 1 0 469.482 6.670 1 0 JKAFRO Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H]([NH2+]C[C@@H]2CCOC2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040394268 563138640 /nfs/dbraw/zinc/13/86/40/563138640.db2.gz KKMZOCANRLBARO-DFBJGRDBSA-N 1 0 494.557 6.026 1 0 JKAFRO CC(=O)c1c2ccccc2oc1-c1ccc(OCCCCCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000040395306 563139080 /nfs/dbraw/zinc/13/90/80/563139080.db2.gz BPXXDQJYLUMYSC-UHFFFAOYSA-N 1 0 469.625 7.764 1 0 JKAFRO COc1ccc2c(c1)[C@H](c1ccccc1NCCOc1ccccc1)[N@@H+](CCOc1ccccc1)CC2 ZINC000040395319 563139087 /nfs/dbraw/zinc/13/90/87/563139087.db2.gz IBKUJZUCCQVILG-YTTGMZPUSA-N 1 0 494.635 6.213 1 0 JKAFRO O=C(NCC[NH+]1CCCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040404863 563139943 /nfs/dbraw/zinc/13/99/43/563139943.db2.gz BGIHMHHOJDEMTN-UHFFFAOYSA-N 1 0 477.823 5.715 1 0 JKAFRO C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@@]2(CCc3c4ccccc4[nH]c3C2=O)[C@@]12c1ccccc1NC2=O ZINC000040404730 563139969 /nfs/dbraw/zinc/13/99/69/563139969.db2.gz RXDWRYPRKOTDCF-GJDOKZOISA-N 1 0 481.983 5.513 1 0 JKAFRO CCCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040406330 563140127 /nfs/dbraw/zinc/14/01/27/563140127.db2.gz CWZQLYMLTJJQRQ-QFIPXVFZSA-N 1 0 469.363 5.053 1 0 JKAFRO CC(=O)CCCCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1nc(-c2csc3ccccc23)c[nH]1 ZINC000040409847 563140541 /nfs/dbraw/zinc/14/05/41/563140541.db2.gz JZUGAVWOEVAHTA-QFIPXVFZSA-N 1 0 466.651 5.330 1 0 JKAFRO Cc1cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040411589 563140848 /nfs/dbraw/zinc/14/08/48/563140848.db2.gz LPKANFYWMADVBY-UHFFFAOYSA-N 1 0 481.040 5.776 1 0 JKAFRO CC[NH2+]Cc1cccc(C(=O)Nc2cc(C)n(Cc3cc(Cl)ccc3OCC(C)C)n2)c1 ZINC000040421001 563141431 /nfs/dbraw/zinc/14/14/31/563141431.db2.gz OUHRZGSWJJRSHY-UHFFFAOYSA-N 1 0 455.002 5.290 1 0 JKAFRO CC[NH2+]Cc1ccc(NC(=O)c2cc(C)n(Cc3cc(Cl)ccc3OCC(C)C)n2)cc1 ZINC000040422423 563141870 /nfs/dbraw/zinc/14/18/70/563141870.db2.gz XGIYAKFXYPMMRH-UHFFFAOYSA-N 1 0 455.002 5.290 1 0 JKAFRO NC(=O)CN1CCC2([NH+]3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040424049 563142655 /nfs/dbraw/zinc/14/26/55/563142655.db2.gz GRJJXKGJSDQIRU-ANBAMDCGSA-N 1 0 472.460 5.049 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCSC2)C1 ZINC000040424918 563142951 /nfs/dbraw/zinc/14/29/51/563142951.db2.gz LDHNBNIJFIOQER-HBFSDRIKSA-N 1 0 482.534 5.630 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCSC2)C1 ZINC000040424916 563142969 /nfs/dbraw/zinc/14/29/69/563142969.db2.gz LDHNBNIJFIOQER-GGPKGHCWSA-N 1 0 482.534 5.630 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000040429833 563143439 /nfs/dbraw/zinc/14/34/39/563143439.db2.gz AWFVUZFXTNVVQX-XVJMICLVSA-N 1 0 494.520 5.550 1 0 JKAFRO CCc1nc(C)sc1C[NH+]1CCN(c2cccc3[nH]c(-c4ccc(C(C)(C)C)cc4)nc32)CC1 ZINC000040431096 563143741 /nfs/dbraw/zinc/14/37/41/563143741.db2.gz QKQNRWHNXCIWCO-UHFFFAOYSA-N 1 0 473.690 6.177 1 0 JKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccc(F)c(C(F)(F)F)c1 ZINC000040465260 563144090 /nfs/dbraw/zinc/14/40/90/563144090.db2.gz UABWRJQXJPTQQZ-AWEZNQCLSA-N 1 0 451.464 6.041 1 0 JKAFRO CSc1ccc2c(c1)C(c1ccccc1)=NCc1nnc([C@@H](C[NH+](C)C)c3ccccc3)n1-2 ZINC000040466996 563144376 /nfs/dbraw/zinc/14/43/76/563144376.db2.gz LHOMPYJVKAIVME-QHCPKHFHSA-N 1 0 453.615 5.034 1 0 JKAFRO C[NH+](C)C[C@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1ccccc1Cl ZINC000040467015 563144378 /nfs/dbraw/zinc/14/43/78/563144378.db2.gz NTECLFCOKFHXBK-NRFANRHFSA-N 1 0 476.411 5.619 1 0 JKAFRO Cc1cccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000040504029 563144817 /nfs/dbraw/zinc/14/48/17/563144817.db2.gz QNZQUCFYTQVEKG-UHFFFAOYSA-N 1 0 451.557 5.690 1 0 JKAFRO Fc1ccc(-c2ccc(-c3nc4c(ncnc4N4C[C@H]5[C@@H](CC[N@@H+]5Cc5ccccc5)C4)o3)cc2)cc1 ZINC000040527493 563145121 /nfs/dbraw/zinc/14/51/21/563145121.db2.gz ZYNFMWLBVNRZPB-AHWVRZQESA-N 1 0 491.570 5.802 1 0 JKAFRO COc1ccc(N2CC=C(c3ccc(C(F)(F)F)cc3)C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000040565443 563145575 /nfs/dbraw/zinc/14/55/75/563145575.db2.gz LZNZFJIUOFWRID-UHFFFAOYSA-N 1 0 474.523 5.255 1 0 JKAFRO COc1cc(-n2cnc3cc(-c4cccc(Cl)c4)sc3c2=O)ccc1OCC[NH+]1CCCC1 ZINC000040566845 563145872 /nfs/dbraw/zinc/14/58/72/563145872.db2.gz KFXDZPBKEPCRPB-UHFFFAOYSA-N 1 0 482.005 5.251 1 0 JKAFRO COc1ccc(N2CC=C(c3ccc(Cl)c(F)c3)C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000040566977 563145935 /nfs/dbraw/zinc/14/59/35/563145935.db2.gz QZGXUSFBFQTKDI-UHFFFAOYSA-N 1 0 458.961 5.029 1 0 JKAFRO COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040567490 563146128 /nfs/dbraw/zinc/14/61/28/563146128.db2.gz WRBLMUFLYRGRPQ-UHFFFAOYSA-N 1 0 461.389 5.297 1 0 JKAFRO CC(C)[NH+](CCOc1ccc(N(C)C(=O)c2ccc3c(c2)CCc2ccccc2-3)cc1)C(C)C ZINC000040568066 563146181 /nfs/dbraw/zinc/14/61/81/563146181.db2.gz YHFYMWCEUXWZPF-UHFFFAOYSA-N 1 0 456.630 6.226 1 0 JKAFRO COc1cc(N(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040568009 563146200 /nfs/dbraw/zinc/14/62/00/563146200.db2.gz HQVOBJKZZKAARM-UHFFFAOYSA-N 1 0 496.673 5.685 1 0 JKAFRO Cc1ccc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)Cc2ccccc2)cc1C ZINC000040568344 563146294 /nfs/dbraw/zinc/14/62/94/563146294.db2.gz DWQLOSQJDHUBFO-UHFFFAOYSA-N 1 0 471.601 5.103 1 0 JKAFRO COc1cc(N2C(=O)c3ccc(Sc4ccccc4)cc3C2=O)ccc1OCC[NH+]1CCCC1 ZINC000040575592 563146383 /nfs/dbraw/zinc/14/63/83/563146383.db2.gz ZCSWAEPCJGEENG-UHFFFAOYSA-N 1 0 474.582 5.122 1 0 JKAFRO COC(=O)CC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040575723 563146399 /nfs/dbraw/zinc/14/63/99/563146399.db2.gz ZKBSJINIPJJEOF-JBZGATTQSA-N 1 0 459.671 5.286 1 0 JKAFRO Cc1ccc(Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)CCc2ccccc2)cc1C ZINC000040575696 563146470 /nfs/dbraw/zinc/14/64/70/563146470.db2.gz OATVXMWRDWUMLV-UHFFFAOYSA-N 1 0 484.644 5.444 1 0 JKAFRO C[NH+](C)C12C[C@@H](OC(=O)c3ccc4c(c3)OCO4)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040592278 563146818 /nfs/dbraw/zinc/14/68/18/563146818.db2.gz JLNVNQVNEVNIRC-CENOVVGMSA-N 1 0 469.581 5.622 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[N@@H+]1CC[C@@H](C(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040632415 563147090 /nfs/dbraw/zinc/14/70/90/563147090.db2.gz LZGTZRZRYXUCGB-XMMPIXPASA-N 1 0 495.566 5.203 1 0 JKAFRO C[C@@H]1C[N@H+](C[C@@H](c2ccccc2)N(C)C(=O)CCc2ccc(O)cc2)CC[C@@]1(C)c1cccc(O)c1 ZINC000040741535 563147637 /nfs/dbraw/zinc/14/76/37/563147637.db2.gz UUWGPJRALWTJRL-SFQHGNJISA-N 1 0 486.656 5.530 1 0 JKAFRO O=C1C(c2ccc(Cl)c(Cl)c2)=CCN1c1ccc(Cl)c(OCC[NH+]2CCCCC2)c1 ZINC000040763458 563148032 /nfs/dbraw/zinc/14/80/32/563148032.db2.gz BHRKWWDDZSRXHQ-UHFFFAOYSA-N 1 0 465.808 5.942 1 0 JKAFRO Clc1ccc2c(C3CC[NH+]([C@H]4Cc5cccc6cccc4c56)CC3)cn(Cc3ccccc3)c2c1 ZINC000040763373 563148036 /nfs/dbraw/zinc/14/80/36/563148036.db2.gz HSQJWIXWIZYOJT-PMERELPUSA-N 1 0 477.051 7.973 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2[nH]c(NCC[NH+]3CCCC3)nc2c1 ZINC000040764196 563148153 /nfs/dbraw/zinc/14/81/53/563148153.db2.gz LAOLAICCPSJBOW-UHFFFAOYSA-N 1 0 491.020 5.152 1 0 JKAFRO Cc1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1CC[NH+]1CCCC1 ZINC000040764426 563148352 /nfs/dbraw/zinc/14/83/52/563148352.db2.gz GILGAAMNDOIHJG-UHFFFAOYSA-N 1 0 490.032 5.522 1 0 JKAFRO CCN(CC)CC(=O)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040776006 563148535 /nfs/dbraw/zinc/14/85/35/563148535.db2.gz MYEKLRYVQDHWEU-FEVPWDCHSA-N 1 0 460.662 5.456 1 0 JKAFRO COc1cc2c(cc1OCc1ccccc1)[C@@H](Cc1ccc(OCc3ccccc3)cc1)[N@H+](C)CC2 ZINC000040835228 563148922 /nfs/dbraw/zinc/14/89/22/563148922.db2.gz HZBGXMAYXSMTBE-SSEXGKCCSA-N 1 0 479.620 6.625 1 0 JKAFRO COc1cc2nc(N3CCC([NH+]4CCC(F)CC4)CC3)nc(NC3CCCCCC3)c2cc1OC ZINC000040835904 563149012 /nfs/dbraw/zinc/14/90/12/563149012.db2.gz BHPCVVBZXHQNET-UHFFFAOYSA-N 1 0 485.648 5.184 1 0 JKAFRO Fc1ccc(-c2cc(C3CC[NH+](Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)[nH]n2)cc1 ZINC000040847750 563149464 /nfs/dbraw/zinc/14/94/64/563149464.db2.gz IVFPBVVRSLWLAX-UHFFFAOYSA-N 1 0 468.498 6.405 1 0 JKAFRO c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)cc(-c3ccc(N4CCOCC4)cc3)[s+]2)cc1 ZINC000040848254 563149516 /nfs/dbraw/zinc/14/95/16/563149516.db2.gz SPRBZNASCMZFMN-UHFFFAOYSA-N 1 0 495.668 6.703 1 0 JKAFRO CC[NH+](CC)CCCn1ccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c(Cl)cc21 ZINC000040848494 563149704 /nfs/dbraw/zinc/14/97/04/563149704.db2.gz DBIUSEDYAXOJSH-UHFFFAOYSA-N 1 0 466.069 6.122 1 0 JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccccc1 ZINC000040862793 563150402 /nfs/dbraw/zinc/15/04/02/563150402.db2.gz BMZOOBUXYUNXTL-RJOCGJNCSA-N 1 0 451.610 6.428 1 0 JKAFRO CCN(C(=O)c1ccc(Cl)cc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040863479 563150609 /nfs/dbraw/zinc/15/06/09/563150609.db2.gz LDNUDNVKCRWGIH-IDISGSTGSA-N 1 0 496.095 5.703 1 0 JKAFRO CCN(C(=O)c1ccccc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040864067 563150636 /nfs/dbraw/zinc/15/06/36/563150636.db2.gz SJAHKAVMZZYMHY-CUNXSJBXSA-N 1 0 461.650 5.049 1 0 JKAFRO CCN(C(=O)NCc1ccccc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040867007 563151301 /nfs/dbraw/zinc/15/13/01/563151301.db2.gz QLEJJPXFHLHHDG-FIPFOOKPSA-N 1 0 490.692 5.119 1 0 JKAFRO CCN(C(=O)OCc1ccccc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040867214 563151335 /nfs/dbraw/zinc/15/13/35/563151335.db2.gz HUXMKUMBJXCMBH-FIPFOOKPSA-N 1 0 491.676 5.546 1 0 JKAFRO CCC(=O)CCCCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1nc(-c2ccc3ccccc3c2)c[nH]1 ZINC000040880981 563152926 /nfs/dbraw/zinc/15/29/26/563152926.db2.gz WUJYPVNMPHGXKX-SANMLTNESA-N 1 0 474.649 5.659 1 0 JKAFRO CCC(=O)CCCCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1nc(-c2ccc3ccccc3n2)c[nH]1 ZINC000040891535 563153005 /nfs/dbraw/zinc/15/30/05/563153005.db2.gz SELGXBNMBHOLEF-VWLOTQADSA-N 1 0 475.637 5.054 1 0 JKAFRO c1ccc(OCCNc2ccccc2[C@@H]2c3ccccc3CC[N@H+]2CCOc2ccccc2)cc1 ZINC000040891725 563153097 /nfs/dbraw/zinc/15/30/97/563153097.db2.gz OWMAMEQPYBFVPK-HKBQPEDESA-N 1 0 464.609 6.204 1 0 JKAFRO [NH3+]CCC[C@@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1)c1ccccc1 ZINC000040897033 563154049 /nfs/dbraw/zinc/15/40/49/563154049.db2.gz WURGOIXNFGPAMJ-GOSISDBHSA-N 1 0 469.408 5.264 1 0 JKAFRO CCN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000040898408 563154225 /nfs/dbraw/zinc/15/42/25/563154225.db2.gz LLAMURYENJSSJE-UHFFFAOYSA-N 1 0 470.360 5.170 1 0 JKAFRO O=c1cc(NC[C@@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)OCc2ccccc2)[nH]c2ccccc12 ZINC000040913825 563154980 /nfs/dbraw/zinc/15/49/80/563154980.db2.gz CYDLPVCTZMBTPZ-HXUWFJFHSA-N 1 0 482.411 5.622 1 0 JKAFRO O=c1cc(NC[C@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)OCc2ccccc2)[nH]c2ccccc12 ZINC000040913823 563155003 /nfs/dbraw/zinc/15/50/03/563155003.db2.gz CYDLPVCTZMBTPZ-FQEVSTJZSA-N 1 0 482.411 5.622 1 0 JKAFRO Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H]([NH2+]Cc2ccco2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040913758 563155052 /nfs/dbraw/zinc/15/50/52/563155052.db2.gz HYQMTHNENKITBQ-DEOSSOPVSA-N 1 0 490.525 6.783 1 0 JKAFRO Oc1ccc(C[NH+](Cc2cccc3ccccc32)Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000040915976 563155513 /nfs/dbraw/zinc/15/55/13/563155513.db2.gz RFRRIUDTXKZIBX-UHFFFAOYSA-N 1 0 471.560 6.550 1 0 JKAFRO Cc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040935813 563157799 /nfs/dbraw/zinc/15/77/99/563157799.db2.gz NWXPPRRQELPTMW-UHFFFAOYSA-N 1 0 455.002 5.242 1 0 JKAFRO C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Nc4ccccc4)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000040936554 563158066 /nfs/dbraw/zinc/15/80/66/563158066.db2.gz ZQBXYQUUWVYTEK-PSWAGMNNSA-N 1 0 482.672 5.253 1 0 JKAFRO C[N@H+](CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1cccc(Br)c1 ZINC000040949917 563159318 /nfs/dbraw/zinc/15/93/18/563159318.db2.gz GGPOTGMMXXSKQU-UHFFFAOYSA-N 1 0 465.410 6.987 1 0 JKAFRO CCOCCCO[C@@H](c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)N[C@H](C[NH3+])CC2CCCCC2)C1 ZINC000040956790 563160952 /nfs/dbraw/zinc/16/09/52/563160952.db2.gz CKMOOHFTUDCCKF-AFESJLNVSA-N 1 0 494.120 5.544 1 0 JKAFRO Cc1cc(NC(=O)c2ccc([C@@H]3CCC[NH2+]3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040972583 563161337 /nfs/dbraw/zinc/16/13/37/563161337.db2.gz BLDYLZYPGHVSPG-QHCPKHFHSA-N 1 0 467.013 5.605 1 0 JKAFRO CCOC(=O)N1CCC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000040972676 563161415 /nfs/dbraw/zinc/16/14/15/563161415.db2.gz JJIYEGDBRNLQID-AREMUKBSSA-N 1 0 485.466 5.851 1 0 JKAFRO COc1ccc2[nH+]ccc(N[C@H](c3ccc(Cl)cc3)c3ccc(CN4CCOCC4)cc3)c2c1 ZINC000040973155 563161475 /nfs/dbraw/zinc/16/14/75/563161475.db2.gz MZZHCEWENNMTCB-NDEPHWFRSA-N 1 0 474.004 5.931 1 0 JKAFRO COc1ccc2[nH+]ccc(N[C@@H](c3ccc(Cl)cc3)c3ccc(CN4CCOCC4)cc3)c2c1 ZINC000040973157 563161493 /nfs/dbraw/zinc/16/14/93/563161493.db2.gz MZZHCEWENNMTCB-MUUNZHRXSA-N 1 0 474.004 5.931 1 0 JKAFRO CC[C@H](C)C[NH+]1CCC(c2ccn3c(c2)nc(-c2ccc(F)cc2)c3-c2ccnc(N)n2)CC1 ZINC000040975372 563161896 /nfs/dbraw/zinc/16/18/96/563161896.db2.gz XBGOYHJHWUHHJG-SFHVURJKSA-N 1 0 458.585 5.405 1 0 JKAFRO C[NH2+][C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040979628 563162310 /nfs/dbraw/zinc/16/23/10/563162310.db2.gz NISGMKNSSUMSSN-IBWRYCSWSA-N 1 0 450.711 6.394 1 0 in-vitro JKAFRO Cc1ccc([C@@H](C)C(=O)Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)[N@H+](CC2CCC2)CC4)cc1 ZINC000040979942 563162336 /nfs/dbraw/zinc/16/23/36/563162336.db2.gz NWANKFFALSCEHT-ASGMRVCSSA-N 1 0 473.657 5.678 1 0 JKAFRO Cc1ccc([C@H](C)C(=O)Oc2ccc3c(c2)[C@@]24CCCC[C@@]2(O)[C@@H](C3)[N@H+](CC2CCC2)CC4)cc1 ZINC000040979944 563162386 /nfs/dbraw/zinc/16/23/86/563162386.db2.gz NWANKFFALSCEHT-IOYLGXLSSA-N 1 0 473.657 5.678 1 0 JKAFRO COc1cc2nc(N3CCC([NH+]4CCCC4)CC3)nc(NC3CCCCCCC3)c2cc1OC ZINC000042923277 563163781 /nfs/dbraw/zinc/16/37/81/563163781.db2.gz XUSVOQSQOGMSKG-UHFFFAOYSA-N 1 0 467.658 5.236 1 0 JKAFRO O=C(NCc1ccc(O)cc1Cl)C1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043013879 563164309 /nfs/dbraw/zinc/16/43/09/563164309.db2.gz GAHRODNBDYESRP-UHFFFAOYSA-N 1 0 491.941 5.384 1 0 JKAFRO CC(C)NC(=[NH2+])c1ccc2cc(-c3cccc(OCCCCCOc4ccccc4)c3)oc2c1 ZINC000043059055 563165554 /nfs/dbraw/zinc/16/55/54/563165554.db2.gz YJOGWWSBAIMORQ-UHFFFAOYSA-N 1 0 456.586 7.051 1 0 JKAFRO Cc1ccc([C@@H](C)NC(=O)c2ccc(CC3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 ZINC000043060697 563165740 /nfs/dbraw/zinc/16/57/40/563165740.db2.gz PNGJBFIXTQALCW-JOCHJYFZSA-N 1 0 470.613 5.669 1 0 JKAFRO CC[C@@H](NC(=O)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1 ZINC000043061417 563165805 /nfs/dbraw/zinc/16/58/05/563165805.db2.gz QCPXRXKBSRYKGN-HHHXNRCGSA-N 1 0 470.613 5.751 1 0 JKAFRO [NH3+]Cc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5cccc(Cl)c5)c4)c3c2)cc1 ZINC000043070644 563166219 /nfs/dbraw/zinc/16/62/19/563166219.db2.gz NAPZYCRLAGIFHT-UHFFFAOYSA-N 1 0 467.960 6.653 1 0 JKAFRO CC(C)=CCC/C(C)=C/CN(CC[NH2+]C1C2CC3CC(C2)CC1C3)C(=O)O[C@@H](C)OC(=O)C(C)C ZINC000043071786 563166330 /nfs/dbraw/zinc/16/63/30/563166330.db2.gz BANGMDMHQYVLMH-RCWHDFQBSA-N 1 0 488.713 6.077 1 0 JKAFRO c1c2cc(C3=[NH+]CCN3)ccc2oc1-c1cccc(OCCCCCCOc2ccccc2)c1 ZINC000043075613 563166604 /nfs/dbraw/zinc/16/66/04/563166604.db2.gz GEJGSTFLIUQSKA-UHFFFAOYSA-N 1 0 454.570 6.468 1 0 JKAFRO C[C@H](CNC(=O)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1 ZINC000043079023 563166913 /nfs/dbraw/zinc/16/69/13/563166913.db2.gz FEELMJWVBBMMQE-JOCHJYFZSA-N 1 0 470.613 5.404 1 0 JKAFRO CC(C)NC(=[NH2+])c1ccc2cc(-c3ccc(OCCCCCOc4ccccc4)cc3)oc2c1 ZINC000043080037 563166989 /nfs/dbraw/zinc/16/69/89/563166989.db2.gz VUENJOYAMBQECK-UHFFFAOYSA-N 1 0 456.586 7.051 1 0 JKAFRO CC(C)NC(=[NH2+])c1ccc2oc(-c3cccc(OCCCCCOc4ccccc4)c3)cc2c1 ZINC000043120347 563167452 /nfs/dbraw/zinc/16/74/52/563167452.db2.gz TVHWBBVIDWFDRT-UHFFFAOYSA-N 1 0 456.586 7.051 1 0 JKAFRO CC(C)NC(=[NH2+])c1ccc2cc(-c3ccc(OCCCCCCOc4ccccc4)cc3)oc2c1 ZINC000043122210 563167633 /nfs/dbraw/zinc/16/76/33/563167633.db2.gz XVPYYRHURMQSEF-UHFFFAOYSA-N 1 0 470.613 7.441 1 0 JKAFRO C1=C/COCc2cc(ccc2OCC[NH+]2CCCC2)Nc2nccc(n2)-c2csc(c2)COC/1 ZINC000043153649 563168052 /nfs/dbraw/zinc/16/80/52/563168052.db2.gz HJLQTCJLJAJRFH-ONEGZZNKSA-N 1 0 478.618 5.026 1 0 JKAFRO [NH2+]=C(Cc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1)NO ZINC000043195725 563168353 /nfs/dbraw/zinc/16/83/53/563168353.db2.gz BLAXJIFUGFVCLM-UHFFFAOYSA-N 1 0 498.345 5.736 1 0 JKAFRO Cc1cnc2nc1-c1ccc3ccn(c3c1)C/C=C\COCc1cc(ccc1OCC[NH+]1CCCC1)N2 ZINC000043198504 563168391 /nfs/dbraw/zinc/16/83/91/563168391.db2.gz LMRBJOUAEXZHHL-SNAWJCMRSA-N 1 0 495.627 5.711 1 0 JKAFRO Clc1ccc2c(c1)nccc2NCCC[NH+]1CCC(NC(c2ccccn2)c2ccccn2)CC1 ZINC000043205091 563168660 /nfs/dbraw/zinc/16/86/60/563168660.db2.gz QRCZXFIANKOFOR-UHFFFAOYSA-N 1 0 487.051 5.324 1 0 in-vivo JKAFRO O=C(CCC[NH2+]CC1CCCCC1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000043203584 563168672 /nfs/dbraw/zinc/16/86/72/563168672.db2.gz FBBLRLYJWSSKRP-MUUNZHRXSA-N 1 0 468.085 5.524 1 0 JKAFRO CC(C)(C)c1cc(-c2csc(C3([NH+]4CCCCC4)CCOCC3)n2)cc(C(C)(C)C)c1O ZINC000043205399 563168681 /nfs/dbraw/zinc/16/86/81/563168681.db2.gz COLTZBDSWGVCQJ-UHFFFAOYSA-N 1 0 456.696 6.602 1 0 JKAFRO O=c1c2cc(-c3ccc(Cl)cc3)oc2ccn1-c1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000043206836 563168831 /nfs/dbraw/zinc/16/88/31/563168831.db2.gz FQKZCRRUEOMQOT-UHFFFAOYSA-N 1 0 458.949 5.350 1 0 JKAFRO COc1ccc(NC(=O)/C=C/c2cc(F)cc(C(F)(F)F)c2)cc1OCC[NH+](C(C)C)C(C)C ZINC000045162495 563172840 /nfs/dbraw/zinc/17/28/40/563172840.db2.gz JCTKADRJJYUZSN-RMKNXTFCSA-N 1 0 482.518 6.003 1 0 JKAFRO Cc1c2cc(Cl)c(Cl)cc2[nH]c1-c1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000045167181 563173048 /nfs/dbraw/zinc/17/30/48/563173048.db2.gz IOONFHBGNWHJMG-UHFFFAOYSA-N 1 0 458.433 6.489 1 0 JKAFRO COc1cccc(-c2cccc(C[NH2+]C3CCN(C[C@@H]4Cn5c6c4c(F)ccc6ccc5=O)CC3)c2)c1 ZINC000045167110 563173053 /nfs/dbraw/zinc/17/30/53/563173053.db2.gz PZEUUSBYSMFMSM-RUZDIDTESA-N 1 0 497.614 5.168 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)c1ccc(-c2cccc(Cl)c2)s1 ZINC000045167476 563173184 /nfs/dbraw/zinc/17/31/84/563173184.db2.gz VTHXXAWDOUCNFM-UHFFFAOYSA-N 1 0 469.006 5.234 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045167439 563173222 /nfs/dbraw/zinc/17/32/22/563173222.db2.gz VXBKAENMPJQXCU-HXUWFJFHSA-N 1 0 450.623 6.104 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]C[C@@H]5CCCO5)cc4)cc3)nc2c1 ZINC000045167576 563173277 /nfs/dbraw/zinc/17/32/77/563173277.db2.gz MCYRMHMUBOVYSG-QFIPXVFZSA-N 1 0 451.492 6.184 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]C[C@H]5CCCO5)cc4)cc3)nc2c1 ZINC000045167578 563173342 /nfs/dbraw/zinc/17/33/42/563173342.db2.gz MCYRMHMUBOVYSG-JOCHJYFZSA-N 1 0 451.492 6.184 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4cccc(C[NH2+]C[C@@H]5CCCO5)c4)c3)nc2c1 ZINC000045167854 563173429 /nfs/dbraw/zinc/17/34/29/563173429.db2.gz SGYDETKERWJDGI-QFIPXVFZSA-N 1 0 451.492 6.184 1 0 JKAFRO COc1ccc(C[NH+]2CCC(Oc3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)CC2)cc1 ZINC000045167803 563173433 /nfs/dbraw/zinc/17/34/33/563173433.db2.gz ZGDRCCYVMUPPOA-UHFFFAOYSA-N 1 0 484.518 6.010 1 0 JKAFRO CC(C)(C)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4cccc(O)c4)CC3)cc2)cc1 ZINC000045168352 563173665 /nfs/dbraw/zinc/17/36/65/563173665.db2.gz CATWQWHWPRCGNA-UHFFFAOYSA-N 1 0 471.645 5.650 1 0 JKAFRO CCCC[C@@H](O)c1cc(O)c2c(c1)OC(C)(C)C[C@@H]2C1=CC[N@H+](Cc2ccc3ccccc3c2)CC1 ZINC000045168428 563173680 /nfs/dbraw/zinc/17/36/80/563173680.db2.gz AMLMFZFYSYRFNX-VSGBNLITSA-N 1 0 485.668 7.246 1 0 JKAFRO CCCC[C@H](O)c1cc(O)c2c(c1)OC(C)(C)C[C@H]2C1=CC[N@H+](Cc2ccc3ccccc3c2)CC1 ZINC000045168430 563173723 /nfs/dbraw/zinc/17/37/23/563173723.db2.gz AMLMFZFYSYRFNX-NSOVKSMOSA-N 1 0 485.668 7.246 1 0 JKAFRO O=C(CSc1ccc(Cl)cc1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045168310 563173732 /nfs/dbraw/zinc/17/37/32/563173732.db2.gz DRIMHYKPUKVHGP-UHFFFAOYSA-N 1 0 496.120 6.468 1 0 JKAFRO O=C1CCCN1CCC[NH2+]Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045168509 563173766 /nfs/dbraw/zinc/17/37/66/563173766.db2.gz XGDBEALZTGBDFK-UHFFFAOYSA-N 1 0 498.574 6.079 1 0 JKAFRO CCc1ccccc1-c1csc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3)C2)c1 ZINC000045168918 563173892 /nfs/dbraw/zinc/17/38/92/563173892.db2.gz HHYOLQZXNIOQGD-QFIPXVFZSA-N 1 0 460.687 6.527 1 0 JKAFRO CN(CC[NH+](C)C)Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccn3)cc2)o1 ZINC000045168742 563173912 /nfs/dbraw/zinc/17/39/12/563173912.db2.gz AXSKRKOTCHQSAC-UHFFFAOYSA-N 1 0 493.611 6.419 1 0 JKAFRO COc1cccc(-c2ccc(C(=O)NC[C@H]3CCC[N@H+](Cc4cccc(C(F)(F)F)c4)C3)s2)c1 ZINC000045168789 563173922 /nfs/dbraw/zinc/17/39/22/563173922.db2.gz PESSEBHHUBESLP-LJQANCHMSA-N 1 0 488.575 6.085 1 0 JKAFRO O=C(NCc1cccc2ccccc21)c1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045169152 563174098 /nfs/dbraw/zinc/17/40/98/563174098.db2.gz GNHWPIDWHJOVCV-UHFFFAOYSA-N 1 0 463.625 5.524 1 0 JKAFRO C[C@H](Cc1ccc(OCCOc2ccccc2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000045186638 563174169 /nfs/dbraw/zinc/17/41/69/563174169.db2.gz HKIIYLVGOGVZLG-KBMIEXCESA-N 1 0 459.508 5.417 1 0 JKAFRO O=C(NC1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1)c1cc2ccccc2[nH]1 ZINC000045187842 563174593 /nfs/dbraw/zinc/17/45/93/563174593.db2.gz DPLHZOVMOUDFQJ-UHFFFAOYSA-N 1 0 470.539 5.050 1 0 JKAFRO CC[NH+](CC)CCOc1ccc(NC(=O)c2oc3ccccc3c2/C=C/c2ccccc2)cc1 ZINC000045187688 563174640 /nfs/dbraw/zinc/17/46/40/563174640.db2.gz DFCJPNCUDYKVMD-XMHGGMMESA-N 1 0 454.570 6.576 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@@H+](Cc3ccc(O)cc3)CC2)c1)c1cc2ccccc2o1 ZINC000045188293 563174857 /nfs/dbraw/zinc/17/48/57/563174857.db2.gz CEUBRSZPMPSXII-UHFFFAOYSA-N 1 0 455.558 5.099 1 0 JKAFRO Cc1ccc(C[N@@H+]2CCCN(Cc3cccc(C(=O)Nc4ccc(C(C)(C)C)cc4)c3)CC2)s1 ZINC000045188355 563174862 /nfs/dbraw/zinc/17/48/62/563174862.db2.gz FIXPTZDIKGQFPH-UHFFFAOYSA-N 1 0 475.702 6.314 1 0 JKAFRO O=C(NC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045188307 563174872 /nfs/dbraw/zinc/17/48/72/563174872.db2.gz VZRVWBRPHQMPPK-QGZVFWFLSA-N 1 0 462.512 5.825 1 0 JKAFRO O=C(NC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045188310 563174875 /nfs/dbraw/zinc/17/48/75/563174875.db2.gz VZRVWBRPHQMPPK-KRWDZBQOSA-N 1 0 462.512 5.825 1 0 JKAFRO O=C(NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1)c1cc2ccccc2o1 ZINC000045188936 563175095 /nfs/dbraw/zinc/17/50/95/563175095.db2.gz GUYPLESTJYHGIJ-UHFFFAOYSA-N 1 0 455.602 6.082 1 0 JKAFRO CCCCC[N@@H+]1CCCN(Cc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000045189388 563175147 /nfs/dbraw/zinc/17/51/47/563175147.db2.gz NGLPRDYYWANAGP-UHFFFAOYSA-N 1 0 455.646 6.304 1 0 JKAFRO O=C(Nc1cc2cc(-c3ccc(C[NH+]4CCCCC4)cc3)ccc2n2cnnc12)NC1CCCC1 ZINC000045189243 563175217 /nfs/dbraw/zinc/17/52/17/563175217.db2.gz HIGVQPWABHEWIV-UHFFFAOYSA-N 1 0 468.605 5.600 1 0 JKAFRO COc1ccc(NC(=O)[C@H](Cc2ccccc2)Nc2cc(C)[nH+]c(NCCc3cccs3)n2)cc1 ZINC000045190396 563175515 /nfs/dbraw/zinc/17/55/15/563175515.db2.gz KZWMAOYQMCXJSR-DEOSSOPVSA-N 1 0 487.629 5.172 1 0 JKAFRO O=C1OC2(CN1C[C@@H]1CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C1)c1ccccc1-c1ccccc12 ZINC000045190277 563175524 /nfs/dbraw/zinc/17/55/24/563175524.db2.gz UZSXPNUFEKCDID-HSZRJFAPSA-N 1 0 476.580 5.071 1 0 JKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cccc(Cl)c3F)CC2)CC1 ZINC000045190482 563175529 /nfs/dbraw/zinc/17/55/29/563175529.db2.gz DYRQNKXFEVLYGV-NTEUORMPSA-N 1 0 471.016 5.808 1 0 JKAFRO CCCCCC[C@@H](C)c1cc(OCC[NH+](CC)CC)c2c(c1)OC(C)(C)C=C2c1ccncc1 ZINC000045190638 563175557 /nfs/dbraw/zinc/17/55/57/563175557.db2.gz DKZNDKZIGIRISW-HSZRJFAPSA-N 1 0 464.694 7.479 1 0 JKAFRO COc1ccc(-c2ccc(CNC(=O)c3ccc(Cl)cc3)c(F)c2)cc1CN1CCC[N@H+](C)CC1 ZINC000045190662 563175718 /nfs/dbraw/zinc/17/57/18/563175718.db2.gz KWBWHIYWSDVNRF-UHFFFAOYSA-N 1 0 496.026 5.222 1 0 JKAFRO O=C(Nc1cccc(C[N@@H+]2CCCN(Cc3ccc4c(c3)OCO4)CC2)c1)c1ccc2ccccc2c1 ZINC000045191250 563175769 /nfs/dbraw/zinc/17/57/69/563175769.db2.gz MWBJQWMWXYLDJC-UHFFFAOYSA-N 1 0 493.607 5.529 1 0 JKAFRO CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C=C2C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000045191222 563175800 /nfs/dbraw/zinc/17/58/00/563175800.db2.gz NMXWOLYSEHXODZ-UHFFFAOYSA-N 1 0 459.630 6.731 1 0 JKAFRO O=C(NCc1ccco1)c1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000045191635 563175930 /nfs/dbraw/zinc/17/59/30/563175930.db2.gz CNBXNALQSWTMRI-UHFFFAOYSA-N 1 0 465.597 5.117 1 0 JKAFRO Cc1cc(N(C)[C@@H]2CC[N@H+](CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)n1 ZINC000045192033 563176050 /nfs/dbraw/zinc/17/60/50/563176050.db2.gz FTTHIHHALRZFCD-OAQYLSRUSA-N 1 0 458.448 5.382 1 0 JKAFRO Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCCc2ccccc2)nc(NCc2ccccc2C)[nH+]1 ZINC000045193711 563176820 /nfs/dbraw/zinc/17/68/20/563176820.db2.gz TVMAEGUDMXLCCS-MHZLTWQESA-N 1 0 479.628 5.088 1 0 JKAFRO O=C(Cc1cccc(Cl)c1)Nc1ccc(N2CCC([NH2+]Cc3ccc4ncccc4c3)CC2)cc1 ZINC000045194790 563177281 /nfs/dbraw/zinc/17/72/81/563177281.db2.gz UZSHCVKAHAOLEC-UHFFFAOYSA-N 1 0 485.031 5.828 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)o1 ZINC000045195329 563177468 /nfs/dbraw/zinc/17/74/68/563177468.db2.gz DKANYKAFHHIWAL-UHFFFAOYSA-N 1 0 487.987 5.762 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045196089 563177824 /nfs/dbraw/zinc/17/78/24/563177824.db2.gz GFAGXRZQRSESPD-QHCPKHFHSA-N 1 0 486.603 6.736 1 0 JKAFRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccncc2)c(-c2cc3ccccc3[nH]2)o1)c1ccccc1 ZINC000045196200 563177834 /nfs/dbraw/zinc/17/78/34/563177834.db2.gz QKFPZNHMFRECQN-RUZDIDTESA-N 1 0 450.542 5.523 1 0 JKAFRO CC(C)c1ccc(NC(=O)c2ccc(C(=O)NC3CC[NH+](CC4CCCCC4)CC3)cc2)cc1 ZINC000045196372 563177945 /nfs/dbraw/zinc/17/79/45/563177945.db2.gz CVIWSXIPYAAYOD-UHFFFAOYSA-N 1 0 461.650 5.837 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC([NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045201144 563178071 /nfs/dbraw/zinc/17/80/71/563178071.db2.gz QWHLMDSKHGEWEE-WUXMJOGZSA-N 1 0 496.482 6.795 1 0 JKAFRO CCN(CCC[NH+]1CCCCC1)c1cc(C)nc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000045201309 563178109 /nfs/dbraw/zinc/17/81/09/563178109.db2.gz DPRMVWDCOYHOCG-UHFFFAOYSA-N 1 0 455.956 5.903 1 0 JKAFRO CNc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cc2)cc1 ZINC000045201823 563178502 /nfs/dbraw/zinc/17/85/02/563178502.db2.gz FTFMSVRGQFGVHE-UHFFFAOYSA-N 1 0 486.541 7.247 1 0 JKAFRO Cc1[nH]c2cc(Cl)ccc2c1C1=CC[N@H+](CCCC[C@]2(C)C(=O)Nc3c2cccc3F)CC1 ZINC000045202297 563178589 /nfs/dbraw/zinc/17/85/89/563178589.db2.gz MVOLZYMREZWVGS-MHZLTWQESA-N 1 0 466.000 6.438 1 0 JKAFRO C[C@@H](Cc1ccc(OCCCCOc2ccccc2)cc1)[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000045202312 563178612 /nfs/dbraw/zinc/17/86/12/563178612.db2.gz GGQNBWVQFUZORK-QHCPKHFHSA-N 1 0 457.618 5.954 1 0 JKAFRO COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCCN1CCC([NH+]2CCCCC2)CC1 ZINC000045202416 563178686 /nfs/dbraw/zinc/17/86/86/563178686.db2.gz NCYFOPWBUIUZHQ-FMIVXFBMSA-N 1 0 498.067 5.330 1 0 JKAFRO CC(=O)Nc1ccc(C[NH+]2CCC(N(C)c3ccc(NC(=O)c4cccc(C)c4)cc3)CC2)cc1 ZINC000045202615 563178849 /nfs/dbraw/zinc/17/88/49/563178849.db2.gz GOXSGZNOMXRMKK-UHFFFAOYSA-N 1 0 470.617 5.307 1 0 JKAFRO COc1ccc(NC(=O)[C@H](Cc2ccccc2)Nc2cc(C)[nH+]c(NCCc3ccc(F)cc3)n2)cc1 ZINC000045202698 563178889 /nfs/dbraw/zinc/17/88/89/563178889.db2.gz FTBOUWMSPDZWPL-SANMLTNESA-N 1 0 499.590 5.249 1 0 JKAFRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045202931 563179103 /nfs/dbraw/zinc/17/91/03/563179103.db2.gz KGLSRXABOBPNTM-IBGZPJMESA-N 1 0 468.022 5.279 1 0 JKAFRO O=C(/C=C/c1ccccc1Cl)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045202915 563179109 /nfs/dbraw/zinc/17/91/09/563179109.db2.gz UDVBILDUZMOYSM-SDNWHVSQSA-N 1 0 476.064 6.389 1 0 JKAFRO Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccc(F)c2)nc(NCC2CCCCC2)[nH+]1 ZINC000045203001 563179132 /nfs/dbraw/zinc/17/91/32/563179132.db2.gz YWWCYXWGHIWWBA-VWLOTQADSA-N 1 0 475.612 5.256 1 0 JKAFRO C[C@]1(CC[NH+]2CCC(c3c[nH]c4cnccc34)CC2)CCCc2c(Br)cccc2C1=O ZINC000045203054 563179134 /nfs/dbraw/zinc/17/91/34/563179134.db2.gz WSGHOMCWNIKULJ-AREMUKBSSA-N 1 0 480.450 6.120 1 0 JKAFRO Cc1cccc2[nH]c(-c3cccc(-c4ccc(C[NH2+]Cc5ccc(S(C)(=O)=O)cc5)cc4)c3)nc21 ZINC000045210483 563179319 /nfs/dbraw/zinc/17/93/19/563179319.db2.gz RMMOVDZGRZLTMS-UHFFFAOYSA-N 1 0 481.621 5.899 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3ccc(-c4ccccc4F)o3)CC2)CC1 ZINC000045211064 563179467 /nfs/dbraw/zinc/17/94/67/563179467.db2.gz RYXNDIKMBRTLRR-UHFFFAOYSA-N 1 0 460.593 6.315 1 0 JKAFRO O=C(Nc1cccc(F)c1)N1CCC(C[N@@H+]2CCOC(c3ccccc3)(c3ccccc3)C2)CC1 ZINC000045211056 563179482 /nfs/dbraw/zinc/17/94/82/563179482.db2.gz RYFPFUHKUUKLRJ-UHFFFAOYSA-N 1 0 473.592 5.346 1 0 JKAFRO Nc1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)c1 ZINC000045210718 563179522 /nfs/dbraw/zinc/17/95/22/563179522.db2.gz KZOHKPSNJBXTRJ-UHFFFAOYSA-N 1 0 478.543 6.849 1 0 JKAFRO COc1cc2c(cc1N(C(C)C)S(=O)(=O)c1sc3ccc(Cl)cc3c1C)CC[NH2+]CC2 ZINC000045211170 563179667 /nfs/dbraw/zinc/17/96/67/563179667.db2.gz HCZTYNFKJBHDOV-UHFFFAOYSA-N 1 0 479.067 5.164 1 0 JKAFRO Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(C(=O)Nc4ccc(C(C)(C)C)cc4)cc3)CC2)c1 ZINC000045211221 563179698 /nfs/dbraw/zinc/17/96/98/563179698.db2.gz VVZXHWIHMISKAK-UHFFFAOYSA-N 1 0 469.673 6.253 1 0 JKAFRO Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(C(C)C)c(OCC[NH+](C)C)c4)cc3)c(C)c2)no1 ZINC000045226808 563179788 /nfs/dbraw/zinc/17/97/88/563179788.db2.gz XWYHFDTUTZCDEM-UHFFFAOYSA-N 1 0 498.627 6.337 1 0 JKAFRO O[C@H](C[NH2+]CCCc1ccccc1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000045226944 563179901 /nfs/dbraw/zinc/17/99/01/563179901.db2.gz UQEYEIQBWILTOW-WJOKGBTCSA-N 1 0 467.609 6.100 1 0 JKAFRO O[C@@H](C[NH2+]CCCc1ccccc1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000045226941 563179948 /nfs/dbraw/zinc/17/99/48/563179948.db2.gz UQEYEIQBWILTOW-HKBQPEDESA-N 1 0 467.609 6.100 1 0 JKAFRO COc1cc(/C=C/C(=O)N2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc(OC)c1 ZINC000045227637 563180165 /nfs/dbraw/zinc/18/01/65/563180165.db2.gz YPBKEVYSSDDISP-BQYQJAHWSA-N 1 0 487.644 5.317 1 0 JKAFRO C[C@H]1C[C@H]([NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c2cc(Cl)c(Cl)c(Cl)c21 ZINC000045227728 563180172 /nfs/dbraw/zinc/18/01/72/563180172.db2.gz VPQQBXYJMKGVQV-SJCJKPOMSA-N 1 0 450.797 6.128 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@H+](Cc3ccsc3)CC2)c1)c1cc2ccccc2s1 ZINC000045228507 563180442 /nfs/dbraw/zinc/18/04/42/563180442.db2.gz MXBZEDAVTNXKEO-UHFFFAOYSA-N 1 0 461.656 5.923 1 0 JKAFRO [NH3+]C[C@@H]1CCCN1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045228200 563180447 /nfs/dbraw/zinc/18/04/47/563180447.db2.gz JBXUQRUWMCTWJY-SFHVURJKSA-N 1 0 456.537 5.900 1 0 JKAFRO CCC[NH2+]Cc1ccc(-c2ccc(CN(CCOC)C(=O)/C=C/c3ccccc3C)cc2)nc1 ZINC000045228681 563180503 /nfs/dbraw/zinc/18/05/03/563180503.db2.gz LJFMXDBQMKZPMB-JQIJEIRASA-N 1 0 457.618 5.245 1 0 JKAFRO [NH3+][C@H]1CCCN(Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045228633 563180509 /nfs/dbraw/zinc/18/05/09/563180509.db2.gz XDQWTVHHFIHNIW-QFIPXVFZSA-N 1 0 450.508 5.839 1 0 JKAFRO CNc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)cc1 ZINC000045228812 563180540 /nfs/dbraw/zinc/18/05/40/563180540.db2.gz VSIZFAIVUFTPSN-UHFFFAOYSA-N 1 0 492.570 7.309 1 0 JKAFRO COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1CN1CCC[N@H+](C)CC1 ZINC000045228961 563180548 /nfs/dbraw/zinc/18/05/48/563180548.db2.gz CLNVGOUDCGMAGO-UHFFFAOYSA-N 1 0 464.009 5.405 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000045229004 563180701 /nfs/dbraw/zinc/18/07/01/563180701.db2.gz VTTHBFIYWFSFLF-UHFFFAOYSA-N 1 0 462.512 5.967 1 0 JKAFRO CN(C)c1ccc(-c2csc(C(=O)N[C@H]3CCCC[N@H+](Cc4ccc(C(C)(C)C)cc4)C3)c2)cc1 ZINC000045229126 563180703 /nfs/dbraw/zinc/18/07/03/563180703.db2.gz OBXFBZUWDMRQKX-SANMLTNESA-N 1 0 489.729 6.563 1 0 JKAFRO COCC[NH2+]Cc1cccc(-c2ccc3c(c2)nccc3Nc2cc(O)c(Cl)cc2F)c1 ZINC000045228998 563180706 /nfs/dbraw/zinc/18/07/06/563180706.db2.gz URIKZWGHHSXACD-UHFFFAOYSA-N 1 0 451.929 5.880 1 0 JKAFRO O=C1OC(c2ccccc2)(c2ccccc2)CN1CC1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1 ZINC000045229291 563180818 /nfs/dbraw/zinc/18/08/18/563180818.db2.gz BURQAUAJMPOWDW-UHFFFAOYSA-N 1 0 477.004 5.654 1 0 JKAFRO C[C@@H]1C[C@@H]([NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c2c1cc(Cl)c(Cl)c2Cl ZINC000045229456 563180830 /nfs/dbraw/zinc/18/08/30/563180830.db2.gz QPDFIYBQMXBUFK-SJKOYZFVSA-N 1 0 450.797 6.128 1 0 JKAFRO O=c1ccc2ccc(F)c3c2n1C[C@H]3CN1CCC([NH2+]Cc2cccc(-c3ccccc3F)c2)CC1 ZINC000045230079 563181075 /nfs/dbraw/zinc/18/10/75/563181075.db2.gz SGAZVKQFMXCAJP-HSZRJFAPSA-N 1 0 485.578 5.298 1 0 JKAFRO COc1ccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1CN1CCC[N@H+](C)CC1 ZINC000045230648 563181210 /nfs/dbraw/zinc/18/12/10/563181210.db2.gz JIJKPTCKVRRKTM-UHFFFAOYSA-N 1 0 464.009 5.405 1 0 JKAFRO O=C(Nc1cccc(C[N@H+]2CCCN(Cc3cccc(O)c3)CC2)c1)c1ccc2ccccc2c1 ZINC000045231061 563181362 /nfs/dbraw/zinc/18/13/62/563181362.db2.gz SXYDDDCVEDNPSX-UHFFFAOYSA-N 1 0 465.597 5.506 1 0 JKAFRO O=C(C[NH2+]CCNc1ccnc2cc(Cl)ccc21)N(Cc1ccccc1)Cc1ccccc1 ZINC000045245218 563181599 /nfs/dbraw/zinc/18/15/99/563181599.db2.gz ZIGMFJRMCMEZNJ-UHFFFAOYSA-N 1 0 458.993 5.119 1 0 JKAFRO CCOC(=O)c1cc2cc(OCCC[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)ccc2[nH]1 ZINC000045256487 563182708 /nfs/dbraw/zinc/18/27/08/563182708.db2.gz ZUAAFSTXJYNFKL-UHFFFAOYSA-N 1 0 476.404 5.243 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CC[NH+](CCc3ccsc3)CC2)cc1 ZINC000045258084 563182857 /nfs/dbraw/zinc/18/28/57/563182857.db2.gz NBTLLFDYGSFOBW-UHFFFAOYSA-N 1 0 491.701 6.084 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](CCc3ccoc3)CC2)cc1 ZINC000045261778 563183369 /nfs/dbraw/zinc/18/33/69/563183369.db2.gz IKBFUMQNTMWCJI-UHFFFAOYSA-N 1 0 461.606 5.312 1 0 JKAFRO [NH3+][C@H](COc1cncc(-c2ccc(NC(=O)Nc3ccccc3)cn2)c1)Cc1c[nH]c2ccccc12 ZINC000045284711 563183711 /nfs/dbraw/zinc/18/37/11/563183711.db2.gz WJRPWAUZCCDAOO-NRFANRHFSA-N 1 0 478.556 5.218 1 0 JKAFRO [NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2cccs2)C(=O)N3)c1)Cc1c[nH]c2ccccc12 ZINC000045286989 563184143 /nfs/dbraw/zinc/18/41/43/563184143.db2.gz VHKOLGNBWBIWAS-DCFHFQCYSA-N 1 0 480.593 5.324 1 0 JKAFRO COc1cccc2c1CCC[C@@H]2CCCN1CC[NH+](CCC[C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000045291145 563184941 /nfs/dbraw/zinc/18/49/41/563184941.db2.gz XBUZAXHMKYCWDI-WMPKNSHKSA-N 1 0 490.732 6.422 1 0 JKAFRO COc1cccc2c1CCC[C@@H]2CCCN1CC[NH+](CCC[C@H]2CCCc3c(OC)cccc32)CC1 ZINC000045291151 563184983 /nfs/dbraw/zinc/18/49/83/563184983.db2.gz XBUZAXHMKYCWDI-CLJLJLNGSA-N 1 0 490.732 6.422 1 0 JKAFRO COc1ccc(C[N@H+]([C@@H]2CC(=O)c3ccccc32)[C@@H]2CCc3ccccc3C2)c(OC)c1OC ZINC000045300718 563185587 /nfs/dbraw/zinc/18/55/87/563185587.db2.gz MCKPVGYBBOPEPD-RCZVLFRGSA-N 1 0 457.570 5.400 1 0 JKAFRO Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)[C@H](C)C[NH+]5CCOCC5)cc4)c3)nc21 ZINC000045301236 563185802 /nfs/dbraw/zinc/18/58/02/563185802.db2.gz URLKZUHRYSQTDV-HXUWFJFHSA-N 1 0 454.574 5.112 1 0 JKAFRO CC(C)(C)c1ccc(NC(=O)c2cccc(CN3CCC[N@H+](Cc4cccc(O)c4)CC3)c2)cc1 ZINC000045301238 563185824 /nfs/dbraw/zinc/18/58/24/563185824.db2.gz LTJPZFZNHVQYLV-UHFFFAOYSA-N 1 0 471.645 5.650 1 0 JKAFRO COc1ccc2[nH]cc(C3CC[NH+](CCCCCNC(=O)c4ccc(-c5ccccc5)cc4)CC3)c2c1 ZINC000045301850 563185864 /nfs/dbraw/zinc/18/58/64/563185864.db2.gz XXQPHDRRYANHQF-UHFFFAOYSA-N 1 0 495.667 6.623 1 0 JKAFRO Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)Nc2cc(C)[nH+]c(NCCc3ccc(F)cc3)n2)cc1 ZINC000045301624 563185877 /nfs/dbraw/zinc/18/58/77/563185877.db2.gz JGWUHURJHXVAOY-MHZLTWQESA-N 1 0 497.618 5.227 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@H+](CCc3ccccc3)CC2)c1)c1cc2ccccc2s1 ZINC000045302513 563186401 /nfs/dbraw/zinc/18/64/01/563186401.db2.gz IGCWKJXFCTXGST-UHFFFAOYSA-N 1 0 469.654 5.904 1 0 JKAFRO OCC[NH+]1CCN(Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)c2)CC1 ZINC000045302483 563186436 /nfs/dbraw/zinc/18/64/36/563186436.db2.gz YMNUKCFSHYOBNW-UHFFFAOYSA-N 1 0 486.563 5.087 1 0 JKAFRO O=C(c1ccc(F)c2ccccc12)N1CCc2cc3nccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000045302599 563186497 /nfs/dbraw/zinc/18/64/97/563186497.db2.gz SDVNBFXYKMQJAB-FQEVSTJZSA-N 1 0 466.560 5.014 1 0 JKAFRO O=C(Nc1ccc2c(c1)CCN2[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1)c1ccco1 ZINC000045302567 563186508 /nfs/dbraw/zinc/18/65/08/563186508.db2.gz YGDXKCQEVCIBDQ-FQEVSTJZSA-N 1 0 473.470 5.327 1 0 JKAFRO O[C@H]1CCC[N@H+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045302688 563186629 /nfs/dbraw/zinc/18/66/29/563186629.db2.gz LPUDRTAQFVMIEN-QFIPXVFZSA-N 1 0 451.492 5.872 1 0 JKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000045302739 563186743 /nfs/dbraw/zinc/18/67/43/563186743.db2.gz WJVNIRVCFWWYIQ-CMAYDZCXSA-N 1 0 450.410 5.399 1 0 JKAFRO c1cnc2ccc(NCc3cccc(-c4cccc(C[NH2+]Cc5ccc6c(c5)OCO6)c4)c3)cc2c1 ZINC000045302735 563186761 /nfs/dbraw/zinc/18/67/61/563186761.db2.gz LZGVAIACALVOJF-UHFFFAOYSA-N 1 0 473.576 6.532 1 0 JKAFRO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)c1 ZINC000045302856 563186885 /nfs/dbraw/zinc/18/68/85/563186885.db2.gz UNYJZUWQFKQIOQ-UHFFFAOYSA-N 1 0 471.557 6.174 1 0 JKAFRO C[N@H+]1CC=C(c2csc3ccc(NC(=O)Nc4ccc(-c5ccncc5)c(Cl)c4)cc32)CC1 ZINC000045303126 563187119 /nfs/dbraw/zinc/18/71/19/563187119.db2.gz YATONERYAPXRNS-UHFFFAOYSA-N 1 0 475.017 6.980 1 0 JKAFRO Nc1c(Cl)cc([C@H](O)C[NH2+]CCCCCOCCCc2ccc(O)c3ncccc23)cc1Cl ZINC000045303156 563187144 /nfs/dbraw/zinc/18/71/44/563187144.db2.gz FQFGWFYORLAINK-HSZRJFAPSA-N 1 0 492.447 5.272 1 0 JKAFRO Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCC[NH+]1CCCCC1 ZINC000045316300 563187402 /nfs/dbraw/zinc/18/74/02/563187402.db2.gz HCFRDUQORZMNOS-UHFFFAOYSA-N 1 0 488.419 5.903 1 0 JKAFRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)cc1 ZINC000045315948 563187423 /nfs/dbraw/zinc/18/74/23/563187423.db2.gz WMRHXDWNVZKNGF-UHFFFAOYSA-N 1 0 485.584 5.729 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](CCc3ccsc3)CC2)cc1 ZINC000045318698 563187715 /nfs/dbraw/zinc/18/77/15/563187715.db2.gz HKTMYGZLERUFSV-UHFFFAOYSA-N 1 0 477.674 5.781 1 0 JKAFRO O=c1cc(NCCC[NH2+][C@H]2CCCc3c(Cl)c(Cl)c(Cl)cc32)[nH]c2ccccc12 ZINC000045321775 563188266 /nfs/dbraw/zinc/18/82/66/563188266.db2.gz JPFCROIMCJVOKU-KRWDZBQOSA-N 1 0 450.797 5.958 1 0 JKAFRO O=C(Nc1ccc(O[C@@H]2CC[N@H+](Cc3ccsc3)C2)c(Cl)c1)c1ccc2ncccc2c1 ZINC000045323258 563188796 /nfs/dbraw/zinc/18/87/96/563188796.db2.gz ORPUJKNDJXZJGF-OAQYLSRUSA-N 1 0 463.990 5.855 1 0 JKAFRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)o1)c1ccccc1 ZINC000045323678 563188893 /nfs/dbraw/zinc/18/88/93/563188893.db2.gz IKRPRJLCPRLJDO-JOCHJYFZSA-N 1 0 461.949 5.400 1 0 JKAFRO Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)Nc2cc(C)[nH+]c(NCC3CCCCC3)n2)cc1 ZINC000045324321 563189178 /nfs/dbraw/zinc/18/91/78/563189178.db2.gz UDCFSNXMBMOMNX-SANMLTNESA-N 1 0 471.649 5.425 1 0 JKAFRO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4cccc(Cl)c4)CC3)cc2)cc1C ZINC000045324577 563189307 /nfs/dbraw/zinc/18/93/07/563189307.db2.gz QMRSLORKJSBXKS-UHFFFAOYSA-N 1 0 462.037 5.917 1 0 JKAFRO CCCc1cc(N2CCC(c3ccccc3)([NH+]3CCCCC3)CC2)nc(Nc2ccc(OC)cc2)n1 ZINC000045334353 563189377 /nfs/dbraw/zinc/18/93/77/563189377.db2.gz GYWGRWYXKKPFGG-UHFFFAOYSA-N 1 0 485.676 6.163 1 0 JKAFRO c1cc(-c2ccc(CN3CCC([NH+]4CCCCC4)CC3)cc2)sc1-c1nc2ccccc2[nH]1 ZINC000045334431 563189510 /nfs/dbraw/zinc/18/95/10/563189510.db2.gz LNGFLQYZEMQXPD-UHFFFAOYSA-N 1 0 456.659 6.409 1 0 JKAFRO O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC[N@@H+]2CCc3ccc(-n4cccn4)cc3CC2)CC1 ZINC000045334457 563189514 /nfs/dbraw/zinc/18/95/14/563189514.db2.gz WRZAZDYGCJPMMD-AWNIVKPZSA-N 1 0 486.635 5.191 1 0 JKAFRO O=S(=O)(Nc1cc2c(cc1O)CC[N@H+](C1CCC1)CC2)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000045334870 563189786 /nfs/dbraw/zinc/18/97/86/563189786.db2.gz JMIGFOOVOYURKH-UHFFFAOYSA-N 1 0 482.577 5.078 1 0 JKAFRO CN(C)C(=O)c1ccc(C[N@H+](Cc2cccc(OC(C)(C)C)c2)Cc2ccc3c(c2)OCCO3)cc1 ZINC000045335121 563189924 /nfs/dbraw/zinc/18/99/24/563189924.db2.gz PTDXWWVBCAPPJL-UHFFFAOYSA-N 1 0 488.628 5.539 1 0 JKAFRO O=C1OC2(CN1CC1CC[NH+](Cc3ccc(O)c(Cl)c3)CC1)c1ccccc1-c1ccccc12 ZINC000045335339 563190050 /nfs/dbraw/zinc/19/00/50/563190050.db2.gz BKZSORIGCVFJPT-UHFFFAOYSA-N 1 0 474.988 5.634 1 0 JKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)cc2)c1 ZINC000045336812 563190339 /nfs/dbraw/zinc/19/03/39/563190339.db2.gz BKRCTSIIKALKSA-UHFFFAOYSA-N 1 0 498.630 7.767 1 0 JKAFRO COC(=O)C[C@@H]1c2ccccc2NC(=[NH+]CCCCCNC(=O)OC(C)(C)C)N1c1ccccc1 ZINC000045338843 563190885 /nfs/dbraw/zinc/19/08/85/563190885.db2.gz BCKICSSPDNUGHL-HSZRJFAPSA-N 1 0 480.609 5.083 1 0 JKAFRO C[NH+](C)CCCOc1ccc(CCCCc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000045339522 563191146 /nfs/dbraw/zinc/19/11/46/563191146.db2.gz KVVPJNHGGAXVCS-UHFFFAOYSA-N 1 0 450.022 6.467 1 0 JKAFRO Cc1ccc(Cn2cnc3cc(C(=O)Nc4ccc(-c5ccc(C[NH+](C)C)cc5)cc4)ccc3c2=O)o1 ZINC000045339531 563191153 /nfs/dbraw/zinc/19/11/53/563191153.db2.gz BSRQCQQJJYCCPP-UHFFFAOYSA-N 1 0 492.579 5.327 1 0 JKAFRO Oc1ccc([C@@H]2Oc3ccccc3[C@H](c3ccc(OCC[NH+]4CCCC4)cc3)[C@H]2c2ccccc2)cc1 ZINC000045350394 563191723 /nfs/dbraw/zinc/19/17/23/563191723.db2.gz OPNKSOIMXRPOJY-DSPMFFIESA-N 1 0 491.631 6.916 1 0 JKAFRO C[NH+]1CCC([C@@H](c2ccc(F)cc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000045365037 563192894 /nfs/dbraw/zinc/19/28/94/563192894.db2.gz GTSIUFNWVXFHJS-JGCGQSQUSA-N 1 0 499.674 5.575 1 0 JKAFRO C[NH+]1CCC([C@H](c2ccc(F)cc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000045365040 563192906 /nfs/dbraw/zinc/19/29/06/563192906.db2.gz GTSIUFNWVXFHJS-YTTGMZPUSA-N 1 0 499.674 5.575 1 0 JKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@H](COC(=O)Nc2c(F)cccc2F)c2ccccc2)s1 ZINC000045385444 563194386 /nfs/dbraw/zinc/19/43/86/563194386.db2.gz TXSJYFVZTQULMK-LJQANCHMSA-N 1 0 467.497 5.832 1 0 JKAFRO O=C1c2cc(O)ccc2-c2c1c1cc(F)ccc1nc2-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000045385509 563194432 /nfs/dbraw/zinc/19/44/32/563194432.db2.gz KTOXLSGCIXUWEO-UHFFFAOYSA-N 1 0 454.501 5.433 1 0 JKAFRO COc1ccc2cc3[n+](cc2c1OCCCCCCOc1ccccc1)CCc1cc2c(cc1-3)OCO2 ZINC000045386567 563194589 /nfs/dbraw/zinc/19/45/89/563194589.db2.gz LXNXNTQFJHYTEN-UHFFFAOYSA-N 1 0 498.599 6.106 1 0 in-vivo JKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCCN(Cc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000045388230 563194831 /nfs/dbraw/zinc/19/48/31/563194831.db2.gz HBWUNWKYYAZMPM-UHFFFAOYSA-N 1 0 469.456 6.374 1 0 JKAFRO O=C(c1ccc(Cn2c3ccccc3nc2-c2ccccc2)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000045391084 563195085 /nfs/dbraw/zinc/19/50/85/563195085.db2.gz ADZIWICILUZNFO-VWLOTQADSA-N 1 0 450.586 5.062 1 0 JKAFRO CN(CC(=O)N(C)[C@@H](C[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000045497204 563196027 /nfs/dbraw/zinc/19/60/27/563196027.db2.gz FCGNBJORLIKCKE-MHZLTWQESA-N 1 0 496.482 6.392 1 0 JKAFRO O=C(CCCCC[NH+]1CCN(c2ccccc2-c2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000045505755 563196367 /nfs/dbraw/zinc/19/63/67/563196367.db2.gz LZWDVLLURPUKQS-UHFFFAOYSA-N 1 0 467.657 5.621 1 0 JKAFRO Cc1ccoc1-c1nnc(SCCC[N@@H+]2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)n1C ZINC000049021274 563197755 /nfs/dbraw/zinc/19/77/55/563197755.db2.gz OWNUCKLLDLFPLN-PGRDOPGGSA-N 1 0 462.541 5.158 1 0 JKAFRO c1ccc(C(CCCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1 ZINC000049032695 563198010 /nfs/dbraw/zinc/19/80/10/563198010.db2.gz PIRRXQFOIGSAFB-UHFFFAOYSA-N 1 0 488.719 7.786 1 0 JKAFRO O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000049033809 563198285 /nfs/dbraw/zinc/19/82/85/563198285.db2.gz WIQYGYOBAWPEAR-UHFFFAOYSA-N 1 0 486.365 6.329 1 0 JKAFRO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)CC1CCC1 ZINC000049035289 563198688 /nfs/dbraw/zinc/19/86/88/563198688.db2.gz YWYFDSAHURUBCH-UHFFFAOYSA-N 1 0 466.979 6.735 1 0 JKAFRO COc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](CCc4ccccc4)[C@@H]2N3C)cc1 ZINC000049035396 563198751 /nfs/dbraw/zinc/19/87/51/563198751.db2.gz VGJKNQQRYXVOMG-XCZPVHLTSA-N 1 0 457.574 5.288 1 0 JKAFRO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+](C)CCc4ccccc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049037134 563199073 /nfs/dbraw/zinc/19/90/73/563199073.db2.gz OWUVUPQUXGDURP-UHFFFAOYSA-N 1 0 474.958 6.397 1 0 JKAFRO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1ccc(OC)cc1C)CC1CC1 ZINC000049045598 563199281 /nfs/dbraw/zinc/19/92/81/563199281.db2.gz GXOIKFZNFZSRBD-UHFFFAOYSA-N 1 0 454.924 5.736 1 0 JKAFRO CCCCCCNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc3c(=O)ccoc3c2)c1 ZINC000049046271 563199431 /nfs/dbraw/zinc/19/94/31/563199431.db2.gz VWWLOQUVDINGGC-UHFFFAOYSA-N 1 0 466.578 5.363 1 0 JKAFRO CC[NH+](CC)CCOc1ccc([C@@H]2Oc3cc(F)ccc3C3=C2c2ccc(O)cc2OCC3)cc1 ZINC000049046742 563199440 /nfs/dbraw/zinc/19/94/40/563199440.db2.gz FEVNXNWGPTZNEC-LJAQVGFWSA-N 1 0 475.560 6.079 1 0 JKAFRO Oc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCCCC3)cc1)C1=C2CCOc2ccccc21 ZINC000049048434 563199587 /nfs/dbraw/zinc/19/95/87/563199587.db2.gz YVAJBGGOMIUCAI-WJOKGBTCSA-N 1 0 483.608 6.474 1 0 JKAFRO CC[NH+](CC)CCOc1ccc([C@@H]2Oc3ccccc3C3=C2c2ccc(O)cc2OCC3)cc1 ZINC000049047995 563199629 /nfs/dbraw/zinc/19/96/29/563199629.db2.gz KOJRQQVBJKHPBA-LJAQVGFWSA-N 1 0 457.570 5.940 1 0 JKAFRO O[C@@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000049049853 563199823 /nfs/dbraw/zinc/19/98/23/563199823.db2.gz GUUVDZUIGHHPED-MVSFAKPFSA-N 1 0 466.625 5.125 1 0 JKAFRO C[NH+]1CCC2(CC1)CC(=O)c1cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc1O2 ZINC000049052756 563200098 /nfs/dbraw/zinc/20/00/98/563200098.db2.gz VGKXNIJYPLGLEG-UHFFFAOYSA-N 1 0 453.369 6.152 1 0 JKAFRO Oc1ccc2c(c1)O[C@H](c1ccc(OCCC[NH+]3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000049053412 563200289 /nfs/dbraw/zinc/20/02/89/563200289.db2.gz YLXFTHBZFPHABL-WJOKGBTCSA-N 1 0 499.607 6.180 1 0 JKAFRO COc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@H](c2ccccc2)c2cccc3ccccc32)CC1 ZINC000049054472 563200443 /nfs/dbraw/zinc/20/04/43/563200443.db2.gz VNELQZNOOIFCFU-MXBOTTGLSA-N 1 0 482.624 5.138 1 0 JKAFRO O=C(NCc1ccccc1)N(c1ccc(Br)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000049072707 563201501 /nfs/dbraw/zinc/20/15/01/563201501.db2.gz FEBDAKOQKSERSG-UHFFFAOYSA-N 1 0 479.422 5.225 1 0 JKAFRO [NH3+][C@@H]1CCc2c(c3cc(OCCc4ccc(O)cc4)ccc3n2CCCCCc2ccccn2)C1 ZINC000049073224 563201579 /nfs/dbraw/zinc/20/15/79/563201579.db2.gz HRJXHKGZTPPKQX-HSZRJFAPSA-N 1 0 469.629 5.592 1 0 JKAFRO O[C@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000049089006 563201736 /nfs/dbraw/zinc/20/17/36/563201736.db2.gz UVUBDLWVHYJJNN-FIBWVYCGSA-N 1 0 470.588 5.268 1 0 JKAFRO FC(F)(F)c1cccc(Nc2[nH]c3ccc(CCNc4ncnc5ccsc54)cc3[nH+]2)c1 ZINC000049089147 563201820 /nfs/dbraw/zinc/20/18/20/563201820.db2.gz AHPOODNBWXPMQB-UHFFFAOYSA-N 1 0 454.481 5.985 1 0 JKAFRO CC[NH+](CC)CCOc1ccc([C@H]2Oc3cc(F)ccc3C3=C2c2ccc(O)cc2OCC3)cc1 ZINC000049111490 563202320 /nfs/dbraw/zinc/20/23/20/563202320.db2.gz FEVNXNWGPTZNEC-GDLZYMKVSA-N 1 0 475.560 6.079 1 0 JKAFRO CCC(C)(C)Cc1c[nH+]c(CCc2ccc(-c3ccccc3OCc3nc(=S)[nH][nH]3)cc2)[nH]1 ZINC000049111523 563202329 /nfs/dbraw/zinc/20/23/29/563202329.db2.gz BNGYBTOLZSFSOV-UHFFFAOYSA-N 1 0 461.635 5.826 1 0 JKAFRO COc1ccc2c(c1)OCCC1=C2[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(O)ccc21 ZINC000049112764 563202514 /nfs/dbraw/zinc/20/25/14/563202514.db2.gz BHYFKQDXXVAJEL-HKBQPEDESA-N 1 0 499.607 6.093 1 0 JKAFRO O[C@@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000049115677 563202812 /nfs/dbraw/zinc/20/28/12/563202812.db2.gz ZHQYRUMAKQCXTF-OFSOJUDTSA-N 1 0 487.043 5.782 1 0 JKAFRO CC[N@H+](CCC1CC1)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000049124931 563202935 /nfs/dbraw/zinc/20/29/35/563202935.db2.gz HSWIUNPYQLVZTJ-UHFFFAOYSA-N 1 0 452.952 6.344 1 0 JKAFRO CC[NH+]1CCC(N(C(=O)NCc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc2)CC1 ZINC000049125710 563202962 /nfs/dbraw/zinc/20/29/62/563202962.db2.gz MKHLHHYHLOXGTK-UHFFFAOYSA-N 1 0 485.253 5.956 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](NC(=O)C3CCCCC3)c3ccccc3)C[C@@H]2C1 ZINC000049783782 563203627 /nfs/dbraw/zinc/20/36/27/563203627.db2.gz KJCADBPKNMSYRY-IARZGTGTSA-N 1 0 487.688 5.135 1 0 JKAFRO CCCCn1c2ccccc2c2cc(C(=O)N[C@H](C(=O)OCC)C(C)C)[n+](Cc3ccccc3)cc21 ZINC000049802198 563203994 /nfs/dbraw/zinc/20/39/94/563203994.db2.gz WOOJFGFBEFHBGI-NDEPHWFRSA-O 1 0 486.636 5.248 1 0 JKAFRO COc1ccc2cc3[n+](cc2c1OCCCOc1ccc(C)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000049803880 563204191 /nfs/dbraw/zinc/20/41/91/563204191.db2.gz WCXIBCLILZKUIS-UHFFFAOYSA-N 1 0 470.545 5.244 1 0 JKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000052603744 563204872 /nfs/dbraw/zinc/20/48/72/563204872.db2.gz VOLDNXUFIUKWPL-WIIGKZCBSA-N 1 0 478.652 5.754 1 0 JKAFRO CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)n2)s1 ZINC000053084235 563205031 /nfs/dbraw/zinc/20/50/31/563205031.db2.gz IVJHDSQPCKCYIW-UHFFFAOYSA-N 1 0 471.634 5.016 1 0 JKAFRO CCN(CC)c1ccc(Nc2cc(N(CCC[NH+](C)C)C(=O)Nc3ccccc3Cl)ncn2)cc1 ZINC000053274859 563205462 /nfs/dbraw/zinc/20/54/62/563205462.db2.gz ORAQWAJMSDOOPE-UHFFFAOYSA-N 1 0 496.059 5.710 1 0 JKAFRO CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3ccccc3C(F)(F)F)CC2)o1 ZINC000053296360 563205650 /nfs/dbraw/zinc/20/56/50/563205650.db2.gz FMGDOVMPBWVICO-UHFFFAOYSA-N 1 0 486.582 5.615 1 0 JKAFRO COc1ccc2c3c1O[C@H]1[C@@H](O)[C@](C)(CCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000058482423 563206585 /nfs/dbraw/zinc/20/65/85/563206585.db2.gz IBJQQWLIDWNHAA-ZYXZDCJMSA-N 1 0 473.657 5.144 1 0 JKAFRO COc1ccc2c3c1O[C@H]1[C@H]4OC[C@@]4(CCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000058519556 563206854 /nfs/dbraw/zinc/20/68/54/563206854.db2.gz PINHMHYUWQBSJF-ZYXZDCJMSA-N 1 0 471.641 5.162 1 0 JKAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(C3CCCC3)c2)CCCCC1 ZINC000058537985 563206990 /nfs/dbraw/zinc/20/69/90/563206990.db2.gz MOWKTBNHXQTNKZ-WUFINQPMSA-N 1 0 484.631 5.480 1 0 JKAFRO O=C(Cc1ccccc1Cl)Nc1cc(Br)ccc1OCC[NH2+]C1CCCCC1 ZINC000058541232 563207163 /nfs/dbraw/zinc/20/71/63/563207163.db2.gz MPBICLGGBPVNKB-UHFFFAOYSA-N 1 0 465.819 5.585 1 0 JKAFRO COc1ccc(C[NH2+]CCCC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000058563745 563207385 /nfs/dbraw/zinc/20/73/85/563207385.db2.gz DIQYKFLHIVXEGF-LJAQVGFWSA-N 1 0 492.063 5.152 1 0 JKAFRO Oc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3-c3ccc(Cl)cc3)CC2)c1 ZINC000058583772 563207925 /nfs/dbraw/zinc/20/79/25/563207925.db2.gz RRDVHCJJKLEZDI-UHFFFAOYSA-N 1 0 461.009 6.066 1 0 JKAFRO O=C1Cc2ccc(C3CC[NH+](CCCCc4nc5ccccc5n4-c4ccc(F)cc4)CC3)cc2N1 ZINC000058592141 563208215 /nfs/dbraw/zinc/20/82/15/563208215.db2.gz DLTSRUUZBUWIAV-UHFFFAOYSA-N 1 0 482.603 5.862 1 0 JKAFRO C[C@@H](COC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000059033036 563208735 /nfs/dbraw/zinc/20/87/35/563208735.db2.gz ZZCOBRRMCZXMNJ-QHCPKHFHSA-N 1 0 498.627 5.194 1 0 JKAFRO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1)c1cccc2ccccc21 ZINC000061897342 563209819 /nfs/dbraw/zinc/20/98/19/563209819.db2.gz AZSPFDMYBYLBOG-QHCPKHFHSA-N 1 0 464.609 6.722 3 0 JKAFRO COc1ccc(C[C@@H]([NH3+])c2csc(NC(=O)c3cc(C(C)(C)C)nn3Cc3ccccc3)n2)cc1 ZINC000061897228 563209825 /nfs/dbraw/zinc/20/98/25/563209825.db2.gz RASLXGGJTNBACT-OAQYLSRUSA-N 1 0 489.645 5.189 3 0 JKAFRO O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000061903320 563210084 /nfs/dbraw/zinc/21/00/84/563210084.db2.gz GOBDRPLPPPTFDD-HSZRJFAPSA-N 1 0 459.442 6.173 3 0 JKAFRO [NH3+][C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000061904754 563210222 /nfs/dbraw/zinc/21/02/22/563210222.db2.gz VPQRTXSQAMEBLE-IBGZPJMESA-N 1 0 498.530 6.841 3 0 JKAFRO O=C(N[C@H](c1ccsc1)c1ccccc1)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061906707 563210538 /nfs/dbraw/zinc/21/05/38/563210538.db2.gz GTNQZLMXTGNFIR-LJAQVGFWSA-N 1 0 482.649 6.658 3 0 JKAFRO O=C(N[C@@H](c1ccsc1)c1ccccc1)C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061908959 563210856 /nfs/dbraw/zinc/21/08/56/563210856.db2.gz KVTXSVAXRDTGNF-XMMPIXPASA-N 1 0 489.468 6.052 3 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(-c4ccccc4)cc3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823530 581100692 /nfs/dbraw/zinc/10/06/92/581100692.db2.gz ZBMDLEOBRDEIKO-ZRXRSDKNSA-N 1 0 489.615 7.138 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3oc(C)cc3C(=O)N(C)C)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823560 581100731 /nfs/dbraw/zinc/10/07/31/581100731.db2.gz HIHJSISXWCVUQG-OPSAMKTRSA-N 1 0 488.584 5.074 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4ccsc4)c3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000087666887 581100747 /nfs/dbraw/zinc/10/07/47/581100747.db2.gz WRVUFLOXTBTUBR-JOFPJOOKSA-N 1 0 495.644 7.199 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3oc(C)cc3C(=O)N(C)C)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823557 581100751 /nfs/dbraw/zinc/10/07/51/581100751.db2.gz HIHJSISXWCVUQG-LKWIYPIYSA-N 1 0 488.584 5.074 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4ccccc4)c3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823489 581100752 /nfs/dbraw/zinc/10/07/52/581100752.db2.gz DDLPDJJVTVQHQU-ISFOTYDXSA-N 1 0 489.615 7.138 1 0 JKAFRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1c2ccccc2n(C)c1-c1ccc(Br)cc1 ZINC000012417635 291565600 /nfs/dbraw/zinc/56/56/00/291565600.db2.gz KQABFIQZLRXPKN-MEKIYTOJSA-N 1 0 484.458 5.899 3 0 JKAFRO CC[NH2+]Cc1ccccc1Cc1cc(O)cc(C[C@@H]2C[C@@H]([C@@]3(C)C=CC[C@H](C)C3)CC3(CCCC3)C2)c1 ZINC000085543563 291582757 /nfs/dbraw/zinc/58/27/57/291582757.db2.gz WHFUFVHCMUVDEI-PHWGYZGVSA-N 1 0 499.783 8.604 1 0 biogenic,in-vitro JKAFRO CC(=O)N1CCC[C@@H]2[C@@H](C[C@H]3CC[C@H]4C(=N3)C[C@@H]3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4C[N@H+]5C)C[C@H](C)C[C@@H]21 ZINC000095913339 560056836 /nfs/dbraw/zinc/05/68/36/560056836.db2.gz ZGALAVFQYJOLRQ-VFBDHXKKSA-N 1 0 467.742 5.656 1 0 biogenic,in-vitro JKAFRO C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3C[C@H](Cc4ccc(N)nc4)CC4(CCCC4)C3)CC[C@@H]1[C@H]([NH3+])C2 ZINC000085543212 560071139 /nfs/dbraw/zinc/07/11/39/560071139.db2.gz WYQMHBAUQVLMQW-LHZRXEKISA-N 1 0 465.726 6.418 1 0 biogenic,in-vitro JKAFRO C[C@]1(C2CCCC2)O[C@@]2([C@@H]3C[C@H](Cc4ccc(N)nc4)CC4(CCCC4)C3)CC[C@@H]1[C@]([NH3+])(CCO)C2 ZINC000085543180 560071147 /nfs/dbraw/zinc/07/11/47/560071147.db2.gz XNCOGPIYLFSDDT-SICIPGAZSA-N 1 0 495.752 5.781 1 0 biogenic,in-vitro JKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@@H]4CC[C@@H]([C@H]2[C@@H]1C)[N@@H+]3[C@@H]4[C@@H](O)CCCC(C)C ZINC000085532586 560072600 /nfs/dbraw/zinc/07/26/00/560072600.db2.gz SWKIBYOFRNTIGC-FPMMRKIYSA-N 1 0 471.638 5.044 1 0 biogenic,in-vitro JKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)C[C@H]4CCCC45CCCC5)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532513 560072737 /nfs/dbraw/zinc/07/27/37/560072737.db2.gz AXIGPDDTACWTAF-FCOCAHSCSA-N 1 0 497.676 5.580 1 0 biogenic,in-vitro JKAFRO COc1cc(C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000000590316 562918134 /nfs/dbraw/zinc/91/81/34/562918134.db2.gz XWUDRDOFKBPLKM-UHFFFAOYSA-N 1 0 489.447 5.927 1 0 JKAFRO Cc1c(/C=C/C[NH+](C)C)[nH]c(=O)c2c3c(ccc12)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000000591631 562918139 /nfs/dbraw/zinc/91/81/39/562918139.db2.gz PTCNTOQUSLUMLU-RMKNXTFCSA-N 1 0 456.377 5.348 1 0 JKAFRO Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc5c(c(OCC[NH+](C)C)c4)OCC5)cc3)c(C)c2)no1 ZINC000000601006 562918492 /nfs/dbraw/zinc/91/84/92/562918492.db2.gz UPTIAAUBTFAGBK-UHFFFAOYSA-N 1 0 498.583 5.148 1 0 JKAFRO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)cc1 ZINC000000841247 562919331 /nfs/dbraw/zinc/91/93/31/562919331.db2.gz WPVPGOVQVGOWCX-UHFFFAOYSA-N 1 0 450.586 5.626 1 0 JKAFRO Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)C4(CO5)CC[NH+](C)CC4)cc3)c(C)c2)no1 ZINC000001485293 562920189 /nfs/dbraw/zinc/92/01/89/562920189.db2.gz XNFJKHWCJLRFLZ-UHFFFAOYSA-N 1 0 494.595 5.629 1 0 JKAFRO FC(F)(F)c1ccccc1CC1(F)CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 ZINC000001486793 562920247 /nfs/dbraw/zinc/92/02/47/562920247.db2.gz QCGOFEMUVCYZKT-UHFFFAOYSA-N 1 0 485.529 5.747 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1Cc1ccc(O)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000001486719 562920265 /nfs/dbraw/zinc/92/02/65/562920265.db2.gz DGRCZOVLWRDDQI-UHFFFAOYSA-N 1 0 487.621 5.999 1 0 JKAFRO Oc1ccc([C@@H]2CCc3cc(O)ccc3N2Cc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000001489356 562920347 /nfs/dbraw/zinc/92/03/47/562920347.db2.gz IQBSKHUUKFFBOG-NDEPHWFRSA-N 1 0 458.602 5.657 1 0 JKAFRO CC/C(=C(\c1ccc(Br)cc1)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000001533055 562920487 /nfs/dbraw/zinc/92/04/87/562920487.db2.gz QKCGCDADJBZFKY-QPLCGJKRSA-N 1 0 450.420 6.759 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(O)ccc2-1 ZINC000001545276 562921031 /nfs/dbraw/zinc/92/10/31/562921031.db2.gz TXINWSAFRMHRJC-MHZLTWQESA-N 1 0 473.594 6.326 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2c(Cl)cccc2C1 ZINC000001893038 562924007 /nfs/dbraw/zinc/92/40/07/562924007.db2.gz KSCIAWWFBYAELA-MHZLTWQESA-N 1 0 475.076 6.787 1 0 JKAFRO O[C@H](C[NH2+]CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2ccccc21 ZINC000002004803 562924336 /nfs/dbraw/zinc/92/43/36/562924336.db2.gz HMJGAZFZEHOLTD-SQHAQQRYSA-N 1 0 495.541 6.398 1 0 JKAFRO CC[NH+](CC)CCOc1ccc([C@H]2c3ccc(OC)cc3OC(C)(C)[C@H]2c2ccccc2)cc1 ZINC000002021434 562924564 /nfs/dbraw/zinc/92/45/64/562924564.db2.gz OJOPTOCSKFDBFQ-VMPREFPWSA-N 1 0 459.630 6.503 1 0 JKAFRO CC[NH+](CC)CCOc1ccc([C@@H]2c3ccc(OC)cc3OC(C)(C)[C@H]2c2ccccc2)cc1 ZINC000002021435 562924587 /nfs/dbraw/zinc/92/45/87/562924587.db2.gz OJOPTOCSKFDBFQ-WDYNHAJCSA-N 1 0 459.630 6.503 1 0 JKAFRO Fc1ccc(C(c2ccc(F)cc2)C2CC[NH+](CCOc3ccc4ccccc4c3)CC2)cc1 ZINC000003801046 562928503 /nfs/dbraw/zinc/92/85/03/562928503.db2.gz WSQNLPBESBYNDO-UHFFFAOYSA-N 1 0 457.564 7.041 1 0 JKAFRO C[C@@]1(c2ccc(OCC[NH+]3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1 ZINC000003816423 562928972 /nfs/dbraw/zinc/92/89/72/562928972.db2.gz KRKKFOHLNPZSHV-GDLZYMKVSA-N 1 0 460.593 5.722 1 0 JKAFRO COc1ccc(N2CC[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000003819078 562929181 /nfs/dbraw/zinc/92/91/81/562929181.db2.gz SGMGFHKFLMAIER-SANMLTNESA-N 1 0 491.459 5.807 1 0 JKAFRO Cc1cccc2c1cc(C(=O)NCc1cccc(-c3ccccc3)c1)n2Cc1cccc(C(N)=[NH2+])c1 ZINC000003831900 562929563 /nfs/dbraw/zinc/92/95/63/562929563.db2.gz DGWPKSCTSGFKHA-UHFFFAOYSA-N 1 0 472.592 5.879 1 0 JKAFRO O=C([O-])[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000003948316 562930574 /nfs/dbraw/zinc/93/05/74/562930574.db2.gz JHJPBZPNRYMQKP-DEOSSOPVSA-N 1 0 477.432 5.375 1 0 JKAFRO C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)cc1)[NH+]1CCCC1 ZINC000003948746 562930593 /nfs/dbraw/zinc/93/05/93/562930593.db2.gz PJDIJYZHMSPAKC-IWKAXJDJSA-N 1 0 477.576 6.121 1 0 JKAFRO CN(C)C(=[NH2+])c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)c(F)c1 ZINC000003949168 562930657 /nfs/dbraw/zinc/93/06/57/562930657.db2.gz OHAWXGAOPUKZCN-UHFFFAOYSA-N 1 0 487.432 5.462 1 0 JKAFRO Oc1ccc2c(c1)oc1c2[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(O)ccc2-1 ZINC000003951504 562930757 /nfs/dbraw/zinc/93/07/57/562930757.db2.gz GZZGPSDJPCNNQC-HHHXNRCGSA-N 1 0 457.526 5.858 1 0 JKAFRO CCOc1cc([C@@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)NCc2ccccc2)ccc1OC(C)C ZINC000003986176 562931513 /nfs/dbraw/zinc/93/15/13/562931513.db2.gz KOLZRJYVOYSZGO-HHHXNRCGSA-N 1 0 484.600 5.473 1 0 JKAFRO COc1ccc([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000003987177 562931557 /nfs/dbraw/zinc/93/15/57/562931557.db2.gz QFCKEEGOMLEOKN-IBGZPJMESA-N 1 0 463.405 5.387 1 0 JKAFRO COc1ccc(Cc2nc3cc(C(F)(F)F)ccc3n2C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000005544505 562934181 /nfs/dbraw/zinc/93/41/81/562934181.db2.gz TZCMOUOFLGIXFI-WMZHIEFXSA-N 1 0 457.540 5.919 1 0 JKAFRO FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2C[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005596635 562934416 /nfs/dbraw/zinc/93/44/16/562934416.db2.gz IZLWCYZKYDWQIK-XMSQKQJNSA-N 1 0 461.959 6.564 1 0 JKAFRO Brc1ccc(N2C[N+](c3ccc(Br)cc3)=NC(c3ccccc3)=N2)cc1 ZINC000005850200 562935565 /nfs/dbraw/zinc/93/55/65/562935565.db2.gz RJUOWZLCEOXCCW-UHFFFAOYSA-N 1 0 471.176 6.147 1 0 JKAFRO Cc1ccc(S(=O)(=O)N(CC[NH3+])c2cc3c4c(c2)Oc2cccc5c2C4c2c(cccc2O3)O5)cc1 ZINC000005922599 562935755 /nfs/dbraw/zinc/93/57/55/562935755.db2.gz BUGVTHSRUAINBM-UHFFFAOYSA-N 1 0 498.560 5.646 1 0 JKAFRO CC(=O)O[C@H]1[C@@H](O[C@@H]2CCCC2(c2ccccc2)c2ccccc2)O[N+](=O)C[C@@H]1c1ccccc1 ZINC000006001940 562936048 /nfs/dbraw/zinc/93/60/48/562936048.db2.gz ZJFNRGLKBZBXOR-HPQIJTKRSA-N 1 0 471.553 5.110 1 0 JKAFRO COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@@H]([NH+]6CCCC6)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1OC ZINC000006020251 562936551 /nfs/dbraw/zinc/93/65/51/562936551.db2.gz OYKSHQPWYVOWDD-WYQMYQPASA-N 1 0 491.716 6.485 1 0 JKAFRO COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@@H]([NH+]6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1OC ZINC000006020249 562936554 /nfs/dbraw/zinc/93/65/54/562936554.db2.gz OYKSHQPWYVOWDD-CEYFQKMHSA-N 1 0 491.716 6.485 1 0 JKAFRO CC[NH+](CC)CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1cccc(Cl)c1 ZINC000006193022 562937100 /nfs/dbraw/zinc/93/71/00/562937100.db2.gz ZZZIMLKFJTZRPA-UHFFFAOYSA-N 1 0 471.070 5.421 1 0 JKAFRO Cc1nc2c(nc(-c3ccccc3)n2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(NCc2ccccc2)n1 ZINC000008017512 562938445 /nfs/dbraw/zinc/93/84/45/562938445.db2.gz BIQOHJWJOMHFPO-AREMUKBSSA-N 1 0 474.612 5.861 1 0 JKAFRO CC[NH+](CC)CCC[C@H](C)Nc1nc(/C=C/c2ccccc2OC)nc2cc(Cl)ccc21 ZINC000008453914 562939475 /nfs/dbraw/zinc/93/94/75/562939475.db2.gz YITVOVVFCFPVHX-XAVZPLJISA-N 1 0 453.030 6.385 1 0 JKAFRO OC1(c2cccnc2)CC[NH+](Cc2ccc3c(c2)CN(Cc2cc4ccccc4s2)CCO3)CC1 ZINC000011783522 562957585 /nfs/dbraw/zinc/95/75/85/562957585.db2.gz HSJYUZQUWGQGBA-UHFFFAOYSA-N 1 0 485.653 5.175 1 0 JKAFRO COC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)c2ccc(-c4ccc(C)o4)cc2)CCO3)C1 ZINC000011980097 562958152 /nfs/dbraw/zinc/95/81/52/562958152.db2.gz PQOIHLKJZORAIP-QHCPKHFHSA-N 1 0 474.601 5.148 1 0 JKAFRO CC[N@H+](Cc1ccncc1)Cc1ccc2c(c1)CN(C(=O)c1cccc3c(C)c(C)[nH]c31)CCO2 ZINC000012029098 562958688 /nfs/dbraw/zinc/95/86/88/562958688.db2.gz PXQFSAPTTICSKX-UHFFFAOYSA-N 1 0 468.601 5.237 1 0 JKAFRO CCCn1c(C2CC[NH+](C)CC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CC2)n1 ZINC000012153007 562959336 /nfs/dbraw/zinc/95/93/36/562959336.db2.gz XCTKFTOEAKJMII-UHFFFAOYSA-N 1 0 485.463 6.107 1 0 in-vivo JKAFRO Oc1ccc([C@@H]2Sc3cc(O)ccc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000012503886 562960355 /nfs/dbraw/zinc/96/03/55/562960355.db2.gz TWZNCTCQAGRUGQ-SXOMAYOGSA-N 1 0 463.599 5.930 1 0 JKAFRO C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)[NH+]1CCCC1 ZINC000012502347 562960399 /nfs/dbraw/zinc/96/03/99/562960399.db2.gz UZOOIPXOYYJULJ-RHLLTPQKSA-N 1 0 463.599 5.928 1 0 in-vivo JKAFRO Fc1ccc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)cc1 ZINC000013437517 562962495 /nfs/dbraw/zinc/96/24/95/562962495.db2.gz BDAXZXFUBNVUET-UHFFFAOYSA-N 1 0 451.542 5.482 1 0 JKAFRO COc1ccccc1-c1cc(N(CCC[NH+]2CCCCCC2)Cc2ccc3c(c2)OCO3)on1 ZINC000013437487 562962499 /nfs/dbraw/zinc/96/24/99/562962499.db2.gz OYQCKWPTPCIDBA-UHFFFAOYSA-N 1 0 463.578 5.352 1 0 JKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4cccc5ccccc54)CC3)CC2)cc1 ZINC000013440387 562962971 /nfs/dbraw/zinc/96/29/71/562962971.db2.gz MCIRDKWHCMCMHO-UHFFFAOYSA-N 1 0 486.725 6.900 1 0 JKAFRO O=C(c1cccc2ccccc21)N1CCC([NH+]2CCC(Cc3ccc(SCCO)cc3)CC2)CC1 ZINC000013440438 562963054 /nfs/dbraw/zinc/96/30/54/562963054.db2.gz SATBVHCOHOPRPV-UHFFFAOYSA-N 1 0 488.697 5.484 1 0 JKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4cnnc5ccccc54)CC3)CC2)cc1 ZINC000013440428 562963097 /nfs/dbraw/zinc/96/30/97/562963097.db2.gz XODXGCYDQIVEMZ-UHFFFAOYSA-N 1 0 488.701 5.690 1 0 JKAFRO O=C(CCC[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)CN2c1ccccc1)c1ccc(F)cc1 ZINC000013448520 562964496 /nfs/dbraw/zinc/96/44/96/562964496.db2.gz JASOLEMXZHFMTL-UHFFFAOYSA-N 1 0 485.603 5.130 1 0 JKAFRO CCCCc1cn2ccccc2c1S(=O)(=O)c1ccc(OCCC[NH+](CCC)CCC)cc1 ZINC000013451409 562964710 /nfs/dbraw/zinc/96/47/10/562964710.db2.gz PZXRALDBEBRMAP-UHFFFAOYSA-N 1 0 470.679 6.006 1 0 JKAFRO O=C1NCCN1CCCCC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 ZINC000013452499 562964831 /nfs/dbraw/zinc/96/48/31/562964831.db2.gz AFKBRSCMNVQDCS-UHFFFAOYSA-N 1 0 483.031 5.798 1 0 JKAFRO O=c1cc(-c2ccc(Cl)cc2)oc2ccc(OCCCCCC[NH+]3CCC(O)CC3)cc12 ZINC000013454435 562964925 /nfs/dbraw/zinc/96/49/25/562964925.db2.gz GFJGJSGIMWXSNX-UHFFFAOYSA-N 1 0 455.982 5.509 1 0 JKAFRO O=C(Nc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000013471215 562965583 /nfs/dbraw/zinc/96/55/83/562965583.db2.gz XVGZFRXMWRNZPQ-SANMLTNESA-N 1 0 486.537 6.882 1 0 JKAFRO COc1cc2c(cc1OCCN(C)c1cc[nH+]cc1)ncnc2Nc1ccc(Cl)cc1F ZINC000013472787 562966011 /nfs/dbraw/zinc/96/60/11/562966011.db2.gz HTZZYCNEQVCJJB-UHFFFAOYSA-N 1 0 453.905 5.085 1 0 JKAFRO COc1cc2c(cc1OC[C@H]1CCC[N@H+](C)C1)ncnc2Nc1ccc(Br)cc1F ZINC000013472800 562966062 /nfs/dbraw/zinc/96/60/62/562966062.db2.gz JFGLOXKNWPNMQT-AWEZNQCLSA-N 1 0 475.362 5.004 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000013474980 562966876 /nfs/dbraw/zinc/96/68/76/562966876.db2.gz FMNMLKWJLFYSMF-UHFFFAOYSA-N 1 0 497.477 5.656 1 0 JKAFRO COc1cccc(NC(=O)Nc2ccccc2CC[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475811 562967011 /nfs/dbraw/zinc/96/70/11/562967011.db2.gz GZGYCEIWHWDLON-UHFFFAOYSA-N 1 0 461.581 5.976 1 0 JKAFRO COc1cccc(NC(=O)Nc2ccccc2[C@@H](O)C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475803 562967022 /nfs/dbraw/zinc/96/70/22/562967022.db2.gz MTVAGODSWYYKMQ-MHZLTWQESA-N 1 0 477.580 5.466 1 0 JKAFRO CCc1cccc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)c1 ZINC000013479360 562967467 /nfs/dbraw/zinc/96/74/67/562967467.db2.gz DVWBDZAUHCXGNF-GDLZYMKVSA-N 1 0 490.713 5.923 1 0 JKAFRO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013479578 562967468 /nfs/dbraw/zinc/96/74/68/562967468.db2.gz CZNWHUFRZNZRGS-OJDZSJEKSA-N 1 0 488.716 6.080 1 0 JKAFRO Cc1ccc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000013479364 562967477 /nfs/dbraw/zinc/96/74/77/562967477.db2.gz FGXNHQMRYZXGMJ-NDEPHWFRSA-N 1 0 476.686 5.669 1 0 JKAFRO CN(C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 ZINC000013479374 562967483 /nfs/dbraw/zinc/96/74/83/562967483.db2.gz RJQZUKFOHCVBIK-VWLOTQADSA-N 1 0 498.639 5.639 1 0 JKAFRO Cc1cc(C)cc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)c1 ZINC000013479371 562967496 /nfs/dbraw/zinc/96/74/96/562967496.db2.gz BKTOTQWPSFOSNZ-NDEPHWFRSA-N 1 0 490.713 5.977 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013479348 562967497 /nfs/dbraw/zinc/96/74/97/562967497.db2.gz UETIGXLCWMKVCO-HHHXNRCGSA-N 1 0 462.659 5.361 1 0 JKAFRO Cc1ccc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)cc1C ZINC000013479377 562967499 /nfs/dbraw/zinc/96/74/99/562967499.db2.gz HPMMCCQGOMONDB-LJAQVGFWSA-N 1 0 490.713 5.977 1 0 JKAFRO Cc1ccc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)cc1C ZINC000013479375 562967502 /nfs/dbraw/zinc/96/75/02/562967502.db2.gz HPMMCCQGOMONDB-GDLZYMKVSA-N 1 0 490.713 5.977 1 0 JKAFRO O=c1ccc2c(cc(NC3CC[NH2+]CC3)nc2-c2ccccc2Cl)n1-c1c(Cl)cccc1Cl ZINC000013487448 562967775 /nfs/dbraw/zinc/96/77/75/562967775.db2.gz SZRCCCNFNLAWGP-UHFFFAOYSA-N 1 0 499.829 6.177 1 0 JKAFRO Clc1ccc([C@H](OCCC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCc2ccccc2)c2ccccc2)cc1 ZINC000013487739 562967935 /nfs/dbraw/zinc/96/79/35/562967935.db2.gz FWDUNHQEFRRJAV-PGJDVMMQSA-N 1 0 474.088 7.712 1 0 JKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H]([NH2+]Cc1cncn1C)C(=O)NCc1ccccc1 ZINC000013489401 562968683 /nfs/dbraw/zinc/96/86/83/562968683.db2.gz FDLPZASLZAJVML-JOFJZCFSSA-N 1 0 462.682 6.004 1 0 JKAFRO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)N1c2ccc(O)cc2CC[C@H]1c1ccc(O)cc1 ZINC000013490109 562969184 /nfs/dbraw/zinc/96/91/84/562969184.db2.gz KUBYSGIGKNDGJE-MHZLTWQESA-N 1 0 472.585 5.297 1 0 JKAFRO Fc1ccc(C(OCCC2CC[NH+](Cc3cc4ccccc4s3)CC2)c2ccc(F)cc2)cc1 ZINC000013491398 562969396 /nfs/dbraw/zinc/96/93/96/562969396.db2.gz IBKOZXQELVZJBY-UHFFFAOYSA-N 1 0 477.620 7.588 1 0 JKAFRO Fc1ccc(C(OCCC2CC[NH+](Cc3cccc4ccccc43)CC2)c2ccc(F)cc2)cc1 ZINC000013491400 562969479 /nfs/dbraw/zinc/96/94/79/562969479.db2.gz HXSHKIDYCUOFFU-UHFFFAOYSA-N 1 0 471.591 7.526 1 0 JKAFRO FC(F)(F)c1cccc(N2CCN(C3=[NH+]c4cccnc4Nc4ccc(Cl)cc43)CC2)c1 ZINC000013492074 562969665 /nfs/dbraw/zinc/96/96/65/562969665.db2.gz OHLQKXSLNYKMJS-UHFFFAOYSA-N 1 0 457.887 5.711 1 0 JKAFRO CC(C)CCO[C@]12Cc3c4ccccc4[nH]c3[C@]3(C)Oc4c5c(ccc4O)C[C@H]1[N@@H+](C)CC[C@]532 ZINC000013492435 562969791 /nfs/dbraw/zinc/96/97/91/562969791.db2.gz PDNNXPXHZMQCLQ-FQYQUSJJSA-N 1 0 458.602 5.037 1 0 JKAFRO Cc1c(C=CC[NH+]2CCCC2)[nH]c(=O)c2c3c(ccc12)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000013494064 562970416 /nfs/dbraw/zinc/97/04/16/562970416.db2.gz ZWFNMGJKBVEOCV-RMKNXTFCSA-N 1 0 482.415 6.295 1 0 JKAFRO Fc1ccc(C(OCCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000013494210 562970521 /nfs/dbraw/zinc/97/05/21/562970521.db2.gz DDANNZYWEFCOAP-UHFFFAOYSA-N 1 0 455.976 7.027 1 0 JKAFRO COc1ccccc1C[NH+]1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013494204 562970531 /nfs/dbraw/zinc/97/05/31/562970531.db2.gz VZFMTXQAXOANPT-UHFFFAOYSA-N 1 0 451.557 6.382 1 0 JKAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(CCCc1ccccc1)Cc1c2ccccc2[nH]c1[C@@H]3O5 ZINC000013517838 562970625 /nfs/dbraw/zinc/97/06/25/562970625.db2.gz PPEVMLHWEDYTPY-IOUGBZEOSA-N 1 0 476.620 6.071 1 0 JKAFRO Cc1ccc(N2CCc3cc(O)ccc3[C@@]2(C)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013523299 562971016 /nfs/dbraw/zinc/97/10/16/562971016.db2.gz OEUOOFPMSZOWIR-SSEXGKCCSA-N 1 0 456.630 5.892 1 0 JKAFRO CC(C)c1cccc(N2CCc3cc(O)ccc3[C@]2(C)c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000013523389 562971147 /nfs/dbraw/zinc/97/11/47/562971147.db2.gz FZFDZCOFXXVCFT-YTTGMZPUSA-N 1 0 484.684 6.707 1 0 JKAFRO C[C@@]1(c2ccc(OCC[NH+]3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccc(Cl)cc1 ZINC000013523328 562971150 /nfs/dbraw/zinc/97/11/50/562971150.db2.gz VFTGSSVGPZVFJF-GDLZYMKVSA-N 1 0 477.048 6.237 1 0 JKAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000013526303 562971527 /nfs/dbraw/zinc/97/15/27/562971527.db2.gz HUKNOHADSBATLH-OBGWFSINSA-N 1 0 499.655 5.006 1 0 JKAFRO NC(=[NH2+])c1ccc(CNC(=O)Cc2c(F)c(NCCc3ccccc3)ccc2-c2ccccc2)cc1 ZINC000013527422 562971741 /nfs/dbraw/zinc/97/17/41/562971741.db2.gz AQUBGXSYJSSYPL-UHFFFAOYSA-N 1 0 480.587 5.290 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CC[C@H](Oc1ccccc1C(F)(F)F)c1ccccc1)CC2 ZINC000013530643 562972194 /nfs/dbraw/zinc/97/21/94/562972194.db2.gz PHROZENPFSAKEV-QHCPKHFHSA-N 1 0 471.519 6.291 1 0 JKAFRO COc1ccc(O[C@@H](CC[NH+]2CCN(c3nsc4ccccc43)CC2)c2ccccc2)cc1 ZINC000013530543 562972260 /nfs/dbraw/zinc/97/22/60/562972260.db2.gz YBIMOWBVWDOCHJ-VWLOTQADSA-N 1 0 459.615 5.637 1 0 JKAFRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 ZINC000013532173 562972331 /nfs/dbraw/zinc/97/23/31/562972331.db2.gz WILNJBJZWIOTDZ-AREMUKBSSA-N 1 0 495.648 6.711 1 0 JKAFRO COc1cccc2sc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)cc21 ZINC000013535644 562972652 /nfs/dbraw/zinc/97/26/52/562972652.db2.gz CBTPCFLJYTWCHA-OTWHNJEPSA-N 1 0 450.604 5.399 1 0 JKAFRO COc1cccc2sc([C@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)cc21 ZINC000013535639 562972664 /nfs/dbraw/zinc/97/26/64/562972664.db2.gz CBTPCFLJYTWCHA-FHWLQOOXSA-N 1 0 450.604 5.399 1 0 JKAFRO Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCC(C)(C)[NH3+])n3)sc2c1 ZINC000013536604 562972794 /nfs/dbraw/zinc/97/27/94/562972794.db2.gz SAMPJPLEZLHCCK-UHFFFAOYSA-N 1 0 481.025 5.798 1 0 JKAFRO C[NH+](C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1ccccc1SCc1ccccc1 ZINC000013537639 562972855 /nfs/dbraw/zinc/97/28/55/562972855.db2.gz ZUAPVLUALHYVIF-UHFFFAOYSA-N 1 0 495.113 7.446 1 0 JKAFRO CCCCN(C[C@H]1CCC[N@@H+]1C)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553440 562973310 /nfs/dbraw/zinc/97/33/10/562973310.db2.gz DAVLJXKSTZMNGU-GOSISDBHSA-N 1 0 460.453 5.951 1 0 JKAFRO CCOc1ccc(CC2=C(CCCc3cccc4ccccc43)N3CCC[NH+]=C3c3ccccc32)cc1 ZINC000013555280 562973656 /nfs/dbraw/zinc/97/36/56/562973656.db2.gz OSVZPANQTJOTKQ-UHFFFAOYSA-N 1 0 486.659 7.681 1 0 JKAFRO CCOc1ccc(CC2=C(c3ccc(CCc4ccccc4)cc3)N3CCC[NH+]=C3c3ccccc32)cc1 ZINC000013555282 562973709 /nfs/dbraw/zinc/97/37/09/562973709.db2.gz LIKYRKSCBWZZNB-UHFFFAOYSA-N 1 0 498.670 7.447 1 0 JKAFRO COc1ccc2c(c1)CCC1=C2N(c2ccc(OCC[NH+]3CCCCC3)cc2)Cc2cc(OC)ccc21 ZINC000013558513 562974380 /nfs/dbraw/zinc/97/43/80/562974380.db2.gz VKROJUYLNSGJDN-UHFFFAOYSA-N 1 0 496.651 6.403 1 0 JKAFRO Cc1ncnc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560300 562975234 /nfs/dbraw/zinc/97/52/34/562975234.db2.gz LXIQLCKAIYEIEH-UHFFFAOYSA-N 1 0 483.660 5.391 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Nc3ccc4ccn(C)c4c3)CC2)CC1 ZINC000013560285 562975265 /nfs/dbraw/zinc/97/52/65/562975265.db2.gz NKKVEHXLRJSJIK-UHFFFAOYSA-N 1 0 458.650 5.366 1 0 JKAFRO Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)([NH+]2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560301 562975280 /nfs/dbraw/zinc/97/52/80/562975280.db2.gz KFDHCUNXEPNTLZ-UHFFFAOYSA-N 1 0 498.671 5.234 1 0 JKAFRO CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]Cc3ccc(Cl)cc3)cc12 ZINC000013564683 562975544 /nfs/dbraw/zinc/97/55/44/562975544.db2.gz BBQPUUHVPBJKDA-UHFFFAOYSA-N 1 0 455.389 5.608 1 0 JKAFRO COc1ccc2cc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]c(C)cc54)[C@@H](C)C3)sc2c1 ZINC000013587189 562976861 /nfs/dbraw/zinc/97/68/61/562976861.db2.gz OVGLJCMSYVKXAS-TYPHKJRUSA-N 1 0 464.631 5.707 1 0 JKAFRO COc1cccc2sc([C@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]c(C)cc54)[C@H](C)C3)cc21 ZINC000013587183 562976899 /nfs/dbraw/zinc/97/68/99/562976899.db2.gz MBTNZOCGXGVNLT-AABGKKOBSA-N 1 0 464.631 5.707 1 0 JKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@H](c3cc4cccc(F)c4s3)C[C@@H]2C)[nH]1 ZINC000013587185 562976913 /nfs/dbraw/zinc/97/69/13/562976913.db2.gz LVZXIRSLFCVVQC-BJLQDIEVSA-N 1 0 452.595 5.838 1 0 JKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@@H](c3cc4c(cc(C)cc4C)s3)C[C@@H]2C)[nH]1 ZINC000013587193 562976930 /nfs/dbraw/zinc/97/69/30/562976930.db2.gz QMPZARCIMMEYTD-BDTNDASRSA-N 1 0 462.659 6.316 1 0 JKAFRO COc1cccc2sc([C@H]3CC[N@H+](C[C@H](O)COc4cccc5oc(C)cc54)[C@H](C)C3)cc21 ZINC000013587204 562977046 /nfs/dbraw/zinc/97/70/46/562977046.db2.gz NNWMNOCTZDIGBT-HOJAQTOUSA-N 1 0 465.615 5.972 1 0 JKAFRO Oc1ccc2c(c1)CC[C@]21C=C(c2ccc(OCCC[NH+]3CCCCC3)cc2)c2cc(O)ccc21 ZINC000013587737 562977271 /nfs/dbraw/zinc/97/72/71/562977271.db2.gz SNMMZZWKIOTEFJ-HKBQPEDESA-N 1 0 467.609 6.030 1 0 JKAFRO Oc1ccc2c(c1)CC[C@@]21C=C(c2ccc(OCC[NH+]3CCCCC3)c(F)c2)c2cc(O)ccc21 ZINC000013587752 562977349 /nfs/dbraw/zinc/97/73/49/562977349.db2.gz WVMNZAJEQFUSRW-SSEXGKCCSA-N 1 0 471.572 5.779 1 0 JKAFRO Oc1ccc2c(c1)CC[C@]21C=C(c2ccc(CCC[NH+]3CCCCC3)cc2)c2cc(O)ccc21 ZINC000013587745 562977370 /nfs/dbraw/zinc/97/73/70/562977370.db2.gz AURNLLGQGGDHMB-HKBQPEDESA-N 1 0 451.610 6.194 1 0 JKAFRO Oc1ccc2c(c1)CC[C@]21C=C(c2cccc(OCC[NH+]3CCCCC3)c2)c2cc(O)ccc21 ZINC000013587755 562977386 /nfs/dbraw/zinc/97/73/86/562977386.db2.gz CIRQCIBUOZFBLG-PMERELPUSA-N 1 0 453.582 5.640 1 0 JKAFRO Cc1cc(C2=C[C@@]3(CCc4cc(O)ccc43)c3ccc(O)cc32)ccc1OCC[NH+]1CCCCC1 ZINC000013587746 562977388 /nfs/dbraw/zinc/97/73/88/562977388.db2.gz AEGJDPQYCCTKOJ-WJOKGBTCSA-N 1 0 467.609 5.949 1 0 JKAFRO Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nccn12 ZINC000013587831 562977398 /nfs/dbraw/zinc/97/73/98/562977398.db2.gz CGJFRYFIVOQHJK-NDEPHWFRSA-N 1 0 498.417 6.445 1 0 JKAFRO Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1cnnn12 ZINC000013587840 562977441 /nfs/dbraw/zinc/97/74/41/562977441.db2.gz ZONPPIVGLKRLKQ-HHHXNRCGSA-N 1 0 499.405 5.840 1 0 JKAFRO O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2ccn(CC[NH+]3CCCC3)c2c1 ZINC000013609982 562979221 /nfs/dbraw/zinc/97/92/21/562979221.db2.gz WRKOZRHIFLAIFZ-UHFFFAOYSA-N 1 0 453.586 5.497 1 0 JKAFRO CCCC[NH+](CCCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc43)cc12 ZINC000013611748 562979495 /nfs/dbraw/zinc/97/94/95/562979495.db2.gz ZMWFJTOJCAGXKR-UHFFFAOYSA-N 1 0 477.674 6.567 1 0 JKAFRO Cc1[nH]c2cc(NC(=O)N[C@@H]3CCCC[C@H]3C[N@@H+]3CCC[C@@H](Cc4ccc(F)cc4)C3)ccc2c1C ZINC000013613315 562979817 /nfs/dbraw/zinc/97/98/17/562979817.db2.gz QJHXQMJXEVMHTH-IBGGVINMSA-N 1 0 490.667 6.559 1 0 JKAFRO O=C(Nc1ccc2ncsc2c1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613331 562979831 /nfs/dbraw/zinc/97/98/31/562979831.db2.gz GUTLQOKVJCDGEX-AWRGLXIESA-N 1 0 480.653 6.070 1 0 JKAFRO CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013613191 562979859 /nfs/dbraw/zinc/97/98/59/562979859.db2.gz KUOOPYAWZGYOPB-RPLLCQBOSA-N 1 0 465.613 5.663 1 0 JKAFRO O=C(Nc1ccc(F)c(F)c1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613270 562979871 /nfs/dbraw/zinc/97/98/71/562979871.db2.gz RKLGZRTYSTXJRW-ZYLNGJIFSA-N 1 0 459.556 5.739 1 0 JKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cccc(OCCc2ccc(Cl)cc2Cl)c1 ZINC000013643379 562980487 /nfs/dbraw/zinc/98/04/87/562980487.db2.gz AQDTWVBZQDZQEZ-UHFFFAOYSA-N 1 0 484.427 5.656 1 0 JKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(OCCc2ccc(Cl)cc2)c1 ZINC000013643408 562980537 /nfs/dbraw/zinc/98/05/37/562980537.db2.gz HGCZXLJPRIDMSF-UHFFFAOYSA-N 1 0 484.427 5.656 1 0 JKAFRO COc1ccc(C(=O)NCC2CC[NH+](C(C)C)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643419 562980545 /nfs/dbraw/zinc/98/05/45/562980545.db2.gz KDECAAPOPXMVQG-UHFFFAOYSA-N 1 0 479.448 5.474 1 0 JKAFRO Cc1c2ccccc2n(Cc2cc(-c3ccc(Cl)s3)on2)c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000013646543 562980659 /nfs/dbraw/zinc/98/06/59/562980659.db2.gz KZMKQWRSPBBHFH-UHFFFAOYSA-N 1 0 497.064 5.971 1 0 JKAFRO CC[C@H]([NH2+]CCCCCCn1c2ccc(O)cc2c(C)c1-c1ccc(O)cc1)c1ccccn1 ZINC000013649989 562981120 /nfs/dbraw/zinc/98/11/20/562981120.db2.gz LBGCYOYWOJZVPF-SANMLTNESA-N 1 0 457.618 6.724 1 0 JKAFRO Cc1ccc(O)c(NCCC[NH+]2CCC([C@@](O)(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000013651774 562981672 /nfs/dbraw/zinc/98/16/72/562981672.db2.gz ABUYFUJGCNZMKE-MUUNZHRXSA-N 1 0 465.037 5.804 1 0 JKAFRO CCC[NH+](CCC)CC[C@@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21 ZINC000013651504 562981676 /nfs/dbraw/zinc/98/16/76/562981676.db2.gz OIDINXPOSCPBBE-QFIPXVFZSA-N 1 0 462.638 5.284 1 0 JKAFRO COc1cc(OC)c([C@H](CC[N@@H+]2CCC[C@@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)ccc12 ZINC000013661007 562982169 /nfs/dbraw/zinc/98/21/69/562982169.db2.gz DWPABXSZAMPFCK-DENIHFKCSA-N 1 0 464.606 5.130 3 0 JKAFRO CC(C)C[C@@H](CSc1ccc(Br)cc1)N1CC[N@H+](CCc2ccccc2)CCC1=O ZINC000013661694 562982397 /nfs/dbraw/zinc/98/23/97/562982397.db2.gz JHOMADSOKVLHPO-QHCPKHFHSA-N 1 0 489.523 5.733 3 0 JKAFRO Cc1c(C(=O)c2cccc(I)c2)c2ccccc2n1C[C@H]1CCCC[N@H+]1C ZINC000013674197 562982930 /nfs/dbraw/zinc/98/29/30/562982930.db2.gz NPMAIGLJNFICKY-LJQANCHMSA-N 1 0 472.370 5.270 1 0 JKAFRO COc1cccc(OC)c1OCC[NH2+]CCOc1ccccc1OCc1ccc(OC(C)C)cc1 ZINC000013676664 562983484 /nfs/dbraw/zinc/98/34/84/562983484.db2.gz OIZQXQPFKPCWLD-UHFFFAOYSA-N 1 0 481.589 5.117 1 0 JKAFRO COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4ccccc4[nH+]c4c3CCCC4)c2c1 ZINC000013679417 562984048 /nfs/dbraw/zinc/98/40/48/562984048.db2.gz BGQKPFJETYONAB-UHFFFAOYSA-N 1 0 484.644 5.935 1 0 JKAFRO O=C(CCCCCNc1c2ccccc2[nH+]c2c1CCCC2)NCCc1c[nH]c2ccccc12 ZINC000013679404 562984053 /nfs/dbraw/zinc/98/40/53/562984053.db2.gz FKFJZGFHHCYXOR-UHFFFAOYSA-N 1 0 454.618 5.926 1 0 JKAFRO O[C@H](Cc1ccccc1)C[NH+]1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013683633 562984231 /nfs/dbraw/zinc/98/42/31/562984231.db2.gz IOHMPGOLUJWSJA-MUUNZHRXSA-N 1 0 465.584 5.777 1 0 JKAFRO Oc1ccc2c(c1)OCC1=C2[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2cc(O)ccc21 ZINC000013687338 562984505 /nfs/dbraw/zinc/98/45/05/562984505.db2.gz DHRWPORNZCWGED-LJAQVGFWSA-N 1 0 471.553 5.399 1 0 JKAFRO Oc1ccc2c(c1)OCC1=C2[C@@H](c2ccc(OCC[NH+]3CCCCCC3)cc2)Oc2cc(O)ccc21 ZINC000013687340 562984528 /nfs/dbraw/zinc/98/45/28/562984528.db2.gz RUBOTKLNTUTKNL-SSEXGKCCSA-N 1 0 485.580 5.790 1 0 JKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)OC[C@H](Nc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000013737314 562986119 /nfs/dbraw/zinc/98/61/19/562986119.db2.gz YKDHXPWOJKZUFT-NDEPHWFRSA-N 1 0 473.661 7.397 1 0 JKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NC(=O)CCCCC[NH3+])c1ccccc1 ZINC000013737318 562986129 /nfs/dbraw/zinc/98/61/29/562986129.db2.gz JOIFOKSDOIOARQ-DEOSSOPVSA-N 1 0 452.643 5.432 1 0 JKAFRO CC[NH+](CC)CCCNC(=O)c1cnn(-c2nc(-c3ccc(Cl)cc3)cs2)c1C(F)(F)F ZINC000013740056 562986649 /nfs/dbraw/zinc/98/66/49/562986649.db2.gz KOWXUWCQUZURQH-UHFFFAOYSA-N 1 0 485.963 5.130 1 0 JKAFRO Cc1ccnc(N2CC[NH+](CCc3c4cccc5c4n(c3Cc3ccccc3)CCC5)CC2)c1 ZINC000013740419 562986744 /nfs/dbraw/zinc/98/67/44/562986744.db2.gz CDYJDYXEQYKXMZ-UHFFFAOYSA-N 1 0 450.630 5.246 1 0 JKAFRO Cc1ccnc(N2CC[NH+](CCc3c4cccc5c4n(c3-c3ccc(Cl)cc3)CCC5)CC2)c1 ZINC000013740416 562986778 /nfs/dbraw/zinc/98/67/78/562986778.db2.gz GIAQGHCGZWYVDM-UHFFFAOYSA-N 1 0 471.048 5.976 1 0 JKAFRO Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cc(CC3CCCCC3)cc3c2n1CCC3 ZINC000013740436 562986839 /nfs/dbraw/zinc/98/68/39/562986839.db2.gz RTHXVABBASSMJG-UHFFFAOYSA-N 1 0 470.705 6.087 1 0 JKAFRO CCCCC(=O)c1ccc(OCCC[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c(OC)c1 ZINC000013740860 562986917 /nfs/dbraw/zinc/98/69/17/562986917.db2.gz DVUZZRUXGKHQQK-UHFFFAOYSA-N 1 0 468.569 5.997 1 0 JKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CC3)OCCc3ccccc34)c3ccccc32)cc1 ZINC000013741553 562987074 /nfs/dbraw/zinc/98/70/74/562987074.db2.gz PFINSXVGGKKXNR-UHFFFAOYSA-N 1 0 468.616 6.656 1 0 JKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CC3)SCc3ccccc34)c3ccccc32)cc1 ZINC000013741547 562987079 /nfs/dbraw/zinc/98/70/79/562987079.db2.gz REGUBJAOYCGJDZ-UHFFFAOYSA-N 1 0 470.657 7.330 1 0 JKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CC3)Cc3ccccc3CO4)c3ccccc32)cc1 ZINC000013741550 562987123 /nfs/dbraw/zinc/98/71/23/562987123.db2.gz SJKXTDDOYIWJMH-UHFFFAOYSA-N 1 0 468.616 6.700 1 0 JKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CC3)Oc3ccccc3O4)c3ccccc32)cc1 ZINC000013741549 562987130 /nfs/dbraw/zinc/98/71/30/562987130.db2.gz VDSUVFDBBWXUAE-UHFFFAOYSA-N 1 0 456.561 6.356 1 0 JKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CCOc5ccccc54)CC3)c3ccccc32)cc1 ZINC000013741555 562987145 /nfs/dbraw/zinc/98/71/45/562987145.db2.gz VUFUIDNKBYKSMC-UHFFFAOYSA-N 1 0 468.616 6.909 1 0 JKAFRO O=C1OC2(CN1C(c1ccccc1)c1ccccc1)CC[NH+](CCc1c[nH]c3ccc(F)cc13)CC2 ZINC000013743436 562987737 /nfs/dbraw/zinc/98/77/37/562987737.db2.gz RCBLEPQBUGRHQD-UHFFFAOYSA-N 1 0 483.587 5.926 1 0 JKAFRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c2ccccc21 ZINC000013758037 562988894 /nfs/dbraw/zinc/98/88/94/562988894.db2.gz RVRBBMLDJGOSIK-HSZRJFAPSA-N 1 0 482.411 6.289 1 0 JKAFRO C[C@@H]1SC(C)(C)C(=O)N1CCCC[NH+]1CCN(c2cn(-c3ccccc3)c3cc(F)ccc23)CC1 ZINC000013759419 562989266 /nfs/dbraw/zinc/98/92/66/562989266.db2.gz JESULJQFGFJISO-NRFANRHFSA-N 1 0 494.680 5.372 1 0 JKAFRO C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)C[NH2+]C1CCCCC1 ZINC000013776493 562990934 /nfs/dbraw/zinc/99/09/34/562990934.db2.gz KFLBEAYTFPCXQP-ALNAVXNJSA-N 1 0 491.676 5.511 1 0 JKAFRO NC(=[NH2+])c1cccc(CC[C@@H](/C=C/c2ccccc2)NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000013777701 562991165 /nfs/dbraw/zinc/99/11/65/562991165.db2.gz BMXLIXIFYFUVHD-NGGSXTSXSA-N 1 0 459.593 6.082 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2ccccc2-1 ZINC000013779328 562991399 /nfs/dbraw/zinc/99/13/99/562991399.db2.gz CDLTVDHDPPXVPQ-MHZLTWQESA-N 1 0 457.595 6.620 1 0 JKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5c(cccc5-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000013780470 562991761 /nfs/dbraw/zinc/99/17/61/562991761.db2.gz PKDUVBIPSGHDLQ-DZVDWBIPSA-N 1 0 490.603 5.240 1 0 JKAFRO C[N@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccccc1 ZINC000013781680 562992241 /nfs/dbraw/zinc/99/22/41/562992241.db2.gz XKMYQBUHKIAVCW-AREMUKBSSA-N 1 0 468.707 6.083 1 0 JKAFRO CCCCOc1cccc(C[NH2+]CC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000013782342 562992488 /nfs/dbraw/zinc/99/24/88/562992488.db2.gz SOGWYZDGHVLHEJ-UHFFFAOYSA-N 1 0 450.410 5.209 1 0 JKAFRO CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCCC[NH+](C)C)c1ccccc1 ZINC000013795702 562993013 /nfs/dbraw/zinc/99/30/13/562993013.db2.gz UXIFNZZGVLDBLW-VWLOTQADSA-N 1 0 467.613 6.113 1 0 JKAFRO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@H+](C)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)c1 ZINC000013812958 562995825 /nfs/dbraw/zinc/99/58/25/562995825.db2.gz LDJBLILXMXLBFP-IXVKMOFWSA-N 1 0 458.989 5.640 1 0 JKAFRO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@H+](C)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000013812937 562995897 /nfs/dbraw/zinc/99/58/97/562995897.db2.gz NQTQHCVFYOAGHR-DFINWVHASA-N 1 0 491.553 6.610 3 0 JKAFRO O=C1N(CCC2CC[NH+](C[C@H]3COc4ccccc4O3)CC2)CCN1c1c(Cl)cccc1Cl ZINC000013813720 562996122 /nfs/dbraw/zinc/99/61/22/562996122.db2.gz ZJFDCQNJERMIKE-IBGZPJMESA-N 1 0 490.431 5.178 1 0 JKAFRO COc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)c(C)n(CC[NH+]3CCCCC3)c21 ZINC000013817349 562996786 /nfs/dbraw/zinc/99/67/86/562996786.db2.gz OEDGGXXCAJJJCI-LVPRMVSMSA-N 1 0 451.655 5.389 1 0 JKAFRO O=C(c1ccc(Br)cc1)N(c1cccnc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000013817802 562996951 /nfs/dbraw/zinc/99/69/51/562996951.db2.gz CJLABAFJLFSHBB-UHFFFAOYSA-N 1 0 450.380 5.156 1 0 JKAFRO Cc1cccn2cc(-c3ccc(OCCC[N@@H+]([C@H](C)c4ccccc4)[C@@H](C)c4ccccc4)cc3)nc12 ZINC000013819574 562997192 /nfs/dbraw/zinc/99/71/92/562997192.db2.gz STGUFHDPMAXHPU-MKPDMIMOSA-N 1 0 489.663 7.903 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccc(O)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820083 562997332 /nfs/dbraw/zinc/99/73/32/562997332.db2.gz PVGRXRSXTCDHLV-FFCVWOAGSA-N 1 0 479.690 5.064 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccccc2F)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000013820553 562997459 /nfs/dbraw/zinc/99/74/59/562997459.db2.gz HMOAFJKVGORFBH-MUUNZHRXSA-N 1 0 475.633 5.239 1 0 JKAFRO O=S1(=O)c2cccc3cccc(c23)N1CCC[N@H+]1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1 ZINC000013826821 562998469 /nfs/dbraw/zinc/99/84/69/562998469.db2.gz VZOLLFUDQJZBBU-UHFFFAOYSA-N 1 0 478.017 5.663 1 0 JKAFRO O=S1(=O)c2cccc3cccc(c23)N1CC[NH+]1CCC(CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000013826837 562998496 /nfs/dbraw/zinc/99/84/96/562998496.db2.gz JPJNJAFDFQKIIR-UHFFFAOYSA-N 1 0 477.605 5.314 1 0 JKAFRO CC(=O)n1cc(C2=CC[N@H+](CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c2ccccc21 ZINC000013826829 562998556 /nfs/dbraw/zinc/99/85/56/562998556.db2.gz BAWIYSVYEJNRCP-UHFFFAOYSA-N 1 0 485.609 5.143 1 0 JKAFRO CCCCCNC(=O)Nc1c(C[NH+](C)C)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827633 562998743 /nfs/dbraw/zinc/99/87/43/562998743.db2.gz MGXCHLQMMDQEON-UHFFFAOYSA-N 1 0 477.653 5.701 1 0 JKAFRO CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1C[NH+](C)C ZINC000013827788 562998824 /nfs/dbraw/zinc/99/88/24/562998824.db2.gz SAQYUQQUJBPJSR-UHFFFAOYSA-N 1 0 477.653 5.701 1 0 JKAFRO CCC[N@H+]1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000013829753 562999148 /nfs/dbraw/zinc/99/91/48/562999148.db2.gz SNZNPBVJTMVVSC-OAQYLSRUSA-N 1 0 461.469 5.097 1 0 JKAFRO CC(C)C[N@H+]1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000013829944 562999218 /nfs/dbraw/zinc/99/92/18/562999218.db2.gz QJZFDTSDTBWLAC-JOCHJYFZSA-N 1 0 475.496 5.343 1 0 JKAFRO O=C(c1c2ccccc2sc1-c1ccc(O)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834286 563000866 /nfs/dbraw/zinc/00/08/66/563000866.db2.gz UAUVDTRIPPZZCC-UHFFFAOYSA-N 1 0 457.595 6.370 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccncc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834335 563000922 /nfs/dbraw/zinc/00/09/22/563000922.db2.gz NFNXPTWQUQEWLN-UHFFFAOYSA-N 1 0 458.583 5.765 1 0 JKAFRO Cc1cc2c(cc1O)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834297 563000936 /nfs/dbraw/zinc/00/09/36/563000936.db2.gz TYWPPVCVKAZTEY-UHFFFAOYSA-N 1 0 487.621 6.384 1 0 JKAFRO Cc1cc(O)ccc1-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834313 563000974 /nfs/dbraw/zinc/00/09/74/563000974.db2.gz WKGYLLVUZFUDMJ-UHFFFAOYSA-N 1 0 487.621 6.384 1 0 JKAFRO O=C(c1c2cc(O)ccc2sc1-c1ccc(O)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834293 563000996 /nfs/dbraw/zinc/00/09/96/563000996.db2.gz DZRXWLPTGRQBHC-UHFFFAOYSA-N 1 0 473.594 6.075 1 0 JKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@H](c2ccc(Cl)c(Cl)c2)C1=O ZINC000013834484 563001042 /nfs/dbraw/zinc/00/10/42/563001042.db2.gz WMQKPPPXTMEXKK-HHJKRLRDSA-N 1 0 475.460 6.893 1 0 JKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@H](c2ccc(C(N)=S)cc2)C1=O ZINC000013834494 563001057 /nfs/dbraw/zinc/00/10/57/563001057.db2.gz SDOFBTJUFAJAEL-OHUGHZGNSA-N 1 0 465.663 5.221 1 0 JKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@@H](c2ccc(Cl)c(Cl)c2)C1=O ZINC000013834485 563001075 /nfs/dbraw/zinc/00/10/75/563001075.db2.gz WMQKPPPXTMEXKK-CEYNDMKZSA-N 1 0 475.460 6.893 1 0 JKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@@H](c2cccc(C(N)=S)c2)C1=O ZINC000013834501 563001089 /nfs/dbraw/zinc/00/10/89/563001089.db2.gz IQZUQYWONQLPBN-DFIYOIEZSA-N 1 0 465.663 5.221 1 0 JKAFRO COc1ccc([C@H]2Oc3ccccc3N(CCCCC[N@H+]3[C@H](C)CCC[C@@H]3C)C2=O)cc1OC ZINC000013834523 563001091 /nfs/dbraw/zinc/00/10/91/563001091.db2.gz PSVFYAULYCIMIN-PBDKAQRYSA-N 1 0 466.622 5.604 1 0 JKAFRO COc1cc([C@@H]2Oc3ccccc3N(CCCCC[N@H+]3[C@H](C)CCC[C@@H]3C)C2=O)cc(OC)c1OC ZINC000013834524 563001095 /nfs/dbraw/zinc/00/10/95/563001095.db2.gz KWCIDGOKXJECAI-ISCCLHIJSA-N 1 0 496.648 5.612 1 0 JKAFRO [NH3+]CCCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1CCCCC1 ZINC000013835265 563001322 /nfs/dbraw/zinc/00/13/22/563001322.db2.gz ZPVYULVKGHQHJY-MHZLTWQESA-N 1 0 487.729 5.366 1 0 JKAFRO Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Br)cc3)ccc2[nH+]1 ZINC000013835526 563001391 /nfs/dbraw/zinc/00/13/91/563001391.db2.gz NYVHPWQPFYEOAS-UHFFFAOYSA-N 1 0 462.347 5.719 1 0 JKAFRO Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@H]3CCC[C@@H](C[NH3+])C3)o1)C(C)(C)CCC2(C)C ZINC000013860618 563002221 /nfs/dbraw/zinc/00/22/21/563002221.db2.gz ZULJJCAYLALRFV-RTWAWAEBSA-N 1 0 450.667 6.023 1 0 JKAFRO Fc1ccc(N2CC[NH+](CC[C@@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1 ZINC000013861730 563002539 /nfs/dbraw/zinc/00/25/39/563002539.db2.gz IWEYSMKGYWBMOK-RUZDIDTESA-N 1 0 458.499 6.177 1 0 JKAFRO COc1ccccc1N1CC[NH+](CC[C@@H](Oc2cccc3ccccc32)c2ccsc2)CC1 ZINC000013861759 563002544 /nfs/dbraw/zinc/00/25/44/563002544.db2.gz FCNUZSYKUANYNY-AREMUKBSSA-N 1 0 458.627 6.242 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(-c3ccccc3C(F)(F)F)cc2)n(-c2cccc(C(N)=[NH2+])c2)n1 ZINC000013861914 563002639 /nfs/dbraw/zinc/00/26/39/563002639.db2.gz JTVGNTCZFWGHSM-UHFFFAOYSA-N 1 0 463.463 5.403 1 0 JKAFRO CS(=O)(=O)Nc1ccc(C[NH+]2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013862276 563002784 /nfs/dbraw/zinc/00/27/84/563002784.db2.gz PAHPPCVLEUXOFZ-UHFFFAOYSA-N 1 0 478.658 5.466 1 0 JKAFRO CCN(CC)C(=O)c1c(C[N@H+](CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000013862483 563002854 /nfs/dbraw/zinc/00/28/54/563002854.db2.gz OAZCJLGQSAKQHS-UHFFFAOYSA-N 1 0 451.614 6.406 1 0 JKAFRO COc1c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCCC2)cc(Br)c2ccccc21 ZINC000013862883 563003022 /nfs/dbraw/zinc/00/30/22/563003022.db2.gz BOSOVNGIOQDIAC-GOSISDBHSA-N 1 0 459.428 5.528 1 0 JKAFRO COc1c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cc(Br)c2ccccc21 ZINC000013862879 563003080 /nfs/dbraw/zinc/00/30/80/563003080.db2.gz UGGRLDVMPAOIFF-GOSISDBHSA-N 1 0 453.380 5.005 1 0 JKAFRO COc1c(C(=O)N[C@H]2CC[N@@H+](C3C4CCCC3CCC4)C2)cc(Br)c2ccccc21 ZINC000013862865 563003106 /nfs/dbraw/zinc/00/31/06/563003106.db2.gz SWEOLYDPFYCLRX-RNBBLLSTSA-N 1 0 471.439 5.384 1 0 JKAFRO Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc3ccccc3[nH]2)c2ccc(F)cc2)cc1 ZINC000013864099 563003849 /nfs/dbraw/zinc/00/38/49/563003849.db2.gz KKSPKLQCAGWNKZ-ZVBBVAIHSA-N 1 0 458.552 6.748 1 0 JKAFRO C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1P(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000013907516 563004483 /nfs/dbraw/zinc/00/44/83/563004483.db2.gz KYNAMWRMUBCFRC-LIRRHRJNSA-N 1 0 457.294 5.330 1 0 JKAFRO O=C([O-])[C@@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000013975966 563004971 /nfs/dbraw/zinc/00/49/71/563004971.db2.gz JHJPBZPNRYMQKP-XMMPIXPASA-N 1 0 477.432 5.375 1 0 JKAFRO COc1ccc(N2CC[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000014176079 563005577 /nfs/dbraw/zinc/00/55/77/563005577.db2.gz SGMGFHKFLMAIER-AREMUKBSSA-N 1 0 491.459 5.807 1 0 JKAFRO O[C@H]1CCCc2[nH+]c3ccccc3c(NCCCC(c3ccc(F)cc3)c3ccc(F)cc3)c21 ZINC000014946484 563006782 /nfs/dbraw/zinc/00/67/82/563006782.db2.gz WFEGXUFMYIXSFD-MHZLTWQESA-N 1 0 458.552 6.907 1 0 JKAFRO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1 ZINC000014959682 563008236 /nfs/dbraw/zinc/00/82/36/563008236.db2.gz XDOHRNCCDDHHBW-QGZVFWFLSA-N 1 0 469.010 5.272 1 0 JKAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCc2ccccc2)c1)C(C)C ZINC000014967495 563009379 /nfs/dbraw/zinc/00/93/79/563009379.db2.gz OORIRDYAQRJXHO-IKPAXAHWSA-N 1 0 498.708 5.110 1 0 JKAFRO CC(C)(C)c1ccccc1N1CC[NH+](CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000014975981 563010233 /nfs/dbraw/zinc/01/02/33/563010233.db2.gz BLCHSWWAUDRFLL-HHHXNRCGSA-N 1 0 461.694 5.860 1 0 JKAFRO CCNC(=O)c1noc(-c2cc(C(C)(C)C)c(O)cc2O)c1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014974928 563010244 /nfs/dbraw/zinc/01/02/44/563010244.db2.gz COBVQNNJVURGON-UHFFFAOYSA-N 1 0 477.605 5.453 1 0 JKAFRO CCC(CC)C[NH+]1CCC(O)(c2ccc3oc(C(=O)Nc4ccc5c(c4)OCO5)cc3c2)CC1 ZINC000014978138 563010776 /nfs/dbraw/zinc/01/07/76/563010776.db2.gz WMRHAYRRIOFCBB-UHFFFAOYSA-N 1 0 464.562 5.133 1 0 JKAFRO COc1ccc(NC(=O)c2cc3cc(C4(O)CC[NH+](C[C@H](C)c5ccccc5)CC4)ccc3o2)cc1 ZINC000015008856 563011154 /nfs/dbraw/zinc/01/11/54/563011154.db2.gz UJOGIOKLSDNNJM-NRFANRHFSA-N 1 0 484.596 5.781 1 0 JKAFRO CC(C)[NH2+]C[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1-c1ccccc1 ZINC000017256715 563014011 /nfs/dbraw/zinc/01/40/11/563014011.db2.gz KXCJPASJVHVUTQ-MUUNZHRXSA-N 1 0 467.609 6.543 1 0 JKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2cn(-c3ccccc3)nc2-c2ccco2)C1C(=O)OCC ZINC000017532905 563014226 /nfs/dbraw/zinc/01/42/26/563014226.db2.gz ALAXAIZMUPVFIV-CYBWEPMMSA-N 1 0 461.518 5.334 1 0 aggregator JKAFRO COc1ccc([C@H]2C=CC[N@H+](CC(C)C)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017837612 563014314 /nfs/dbraw/zinc/01/43/14/563014314.db2.gz NNYAVUFUPXYFKX-IHLOFXLRSA-N 1 0 486.631 6.043 1 0 JKAFRO Fc1ccc(C(OCC[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C/C=C/c2ccco2)c2ccc(F)cc2)cc1 ZINC000019365807 563015046 /nfs/dbraw/zinc/01/50/46/563015046.db2.gz IEEHWAIBTWJDSP-XIQCHAELSA-N 1 0 478.583 5.916 1 0 JKAFRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)c(OC)c1OC ZINC000019743571 563015164 /nfs/dbraw/zinc/01/51/64/563015164.db2.gz HACKVEKJIWDVGK-HSZRJFAPSA-N 1 0 496.611 5.611 1 0 JKAFRO C[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CC[NH2+]CC1)C1CCCCC1 ZINC000022452345 563017015 /nfs/dbraw/zinc/01/70/15/563017015.db2.gz SUCQKPUTZDUCKO-NRFANRHFSA-N 1 0 456.634 5.006 1 0 JKAFRO Fc1ccc(-c2cc(CCCCN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)on2)cc1 ZINC000022924666 563017550 /nfs/dbraw/zinc/01/75/50/563017550.db2.gz FBCAOCCMIHULCW-UHFFFAOYSA-N 1 0 469.604 6.211 1 0 JKAFRO Fc1ccc(C(OCC[NH+]2CCN(C/C=C/c3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000022925600 563017617 /nfs/dbraw/zinc/01/76/17/563017617.db2.gz OFYUHBGVPIWBBK-OWOJBTEDSA-N 1 0 483.002 6.055 1 0 JKAFRO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCC[NH+]1CCN(C)CC1 ZINC000022925838 563017634 /nfs/dbraw/zinc/01/76/34/563017634.db2.gz QGMMODBBVFVJMR-UHFFFAOYSA-N 1 0 495.671 5.706 1 0 JKAFRO CCCC[NH+]1CCN([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000022926945 563017736 /nfs/dbraw/zinc/01/77/36/563017736.db2.gz AHZURDXLPGFUJZ-HSZRJFAPSA-N 1 0 488.516 6.400 1 0 JKAFRO c1ccc(C(OCCN2CC[NH+](CCc3cccc4ccccc43)CC2)c2ccccc2)cc1 ZINC000022938680 563019190 /nfs/dbraw/zinc/01/91/90/563019190.db2.gz BNSSSICMNJSJOT-UHFFFAOYSA-N 1 0 450.626 5.806 1 0 JKAFRO Fc1ccc(C(OCC[N@@H+]2CCCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022938502 563019263 /nfs/dbraw/zinc/01/92/63/563019263.db2.gz XXURTKGAFDGDML-XBXARRHUSA-N 1 0 462.584 5.792 1 0 JKAFRO O=C(CCC[NH+]1CCN(Cc2ccccc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000022940079 563019440 /nfs/dbraw/zinc/01/94/40/563019440.db2.gz INXVYWOJBPSXDV-LJAQVGFWSA-N 1 0 471.670 5.096 1 0 JKAFRO CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000022939664 563019452 /nfs/dbraw/zinc/01/94/52/563019452.db2.gz ZUIAYJWBCLHMLH-UALAUUDGSA-N 1 0 499.699 5.861 1 0 JKAFRO C/C=C/C[N@@H+]1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022939659 563019492 /nfs/dbraw/zinc/01/94/92/563019492.db2.gz OJPFIPOLKOXOHF-WRWAYZGMSA-N 1 0 463.666 5.237 1 0 JKAFRO O=C(CCC[NH+]1CCN(Cc2ccc(F)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000022940063 563019501 /nfs/dbraw/zinc/01/95/01/563019501.db2.gz SWMHIURJUNXRHM-ZLZBJJAKSA-N 1 0 495.708 5.493 1 0 JKAFRO O=C(CCC[NH+]1CCN(Cc2ccccc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000022940076 563019547 /nfs/dbraw/zinc/01/95/47/563019547.db2.gz INXVYWOJBPSXDV-GDLZYMKVSA-N 1 0 471.670 5.096 1 0 JKAFRO Fc1ccc(C(OCC[N@H+]2C[C@H]3CC[C@@H](C2)N3C/C=C/c2cccs2)c2ccc(F)cc2)cc1 ZINC000022940905 563019654 /nfs/dbraw/zinc/01/96/54/563019654.db2.gz QOBLMKPRCUFVQW-HRDKSRBXSA-N 1 0 480.624 5.994 1 0 JKAFRO CO[C@@H](CNc1ccccc1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022941124 563019812 /nfs/dbraw/zinc/01/98/12/563019812.db2.gz AKDRTSVLFIAYML-LJAQVGFWSA-N 1 0 493.642 5.622 1 0 JKAFRO CC[NH+](CC)CCOc1ccc(C(=O)c2c3ccc(O)cc3sc2-c2ccc(O)cc2)cc1 ZINC000026007164 563021629 /nfs/dbraw/zinc/02/16/29/563021629.db2.gz PWABRORXEFUSPF-UHFFFAOYSA-N 1 0 461.583 5.931 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCc2ccc3c(c2)CCCC3)c1 ZINC000026020120 563021937 /nfs/dbraw/zinc/02/19/37/563021937.db2.gz NIIMDBNVVZXSMG-UHFFFAOYSA-N 1 0 450.670 7.486 1 0 JKAFRO CC(=O)Nc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2cc(C)cc(C)c2)cn1 ZINC000026019734 563021959 /nfs/dbraw/zinc/02/19/59/563021959.db2.gz LOKNCKTZVGYNJF-UHFFFAOYSA-N 1 0 454.618 5.960 1 0 JKAFRO COc1ccc(S(=O)(=O)N[C@H](C[NH2+][C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026152570 563022511 /nfs/dbraw/zinc/02/25/11/563022511.db2.gz KQDXAFJALGMWOX-QPPBQGQZSA-N 1 0 474.626 5.089 1 0 JKAFRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc21 ZINC000026161694 563022885 /nfs/dbraw/zinc/02/28/85/563022885.db2.gz BSAHGGLFJWEDNH-NFBKMPQASA-N 1 0 479.045 5.734 1 0 JKAFRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc21 ZINC000026161697 563022894 /nfs/dbraw/zinc/02/28/94/563022894.db2.gz BSAHGGLFJWEDNH-NZQKXSOJSA-N 1 0 479.045 5.734 1 0 JKAFRO C[C@H]([NH2+]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc21 ZINC000026161713 563022917 /nfs/dbraw/zinc/02/29/17/563022917.db2.gz BSAHGGLFJWEDNH-REWPJTCUSA-N 1 0 479.045 5.734 1 0 JKAFRO COc1ccc(Br)cc1-c1nc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000026166264 563023052 /nfs/dbraw/zinc/02/30/52/563023052.db2.gz FYSSSSIVDTYBFD-SFHVURJKSA-N 1 0 472.452 5.193 1 0 JKAFRO Oc1ccc2c(c1)sc(C1CCCC1)c2[C@H](O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026171763 563023286 /nfs/dbraw/zinc/02/32/86/563023286.db2.gz PVVLWCPJHYTIRO-AREMUKBSSA-N 1 0 451.632 6.211 1 0 JKAFRO CCNC(=O)c1ccc(C(c2cccc(O)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026252308 563024417 /nfs/dbraw/zinc/02/44/17/563024417.db2.gz OMADOVCARNSQAK-HNRBIFIRSA-N 1 0 466.625 5.813 1 0 JKAFRO CCNC(=O)c1ccc(C(c2cccc(OC)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccs2)cc1 ZINC000026248796 563024435 /nfs/dbraw/zinc/02/44/35/563024435.db2.gz KBVWPYDGDISCMU-PLQXJYEYSA-N 1 0 472.654 6.135 1 0 JKAFRO CCNC(=O)c1ccc(C(c2cccc(O)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccs2)cc1 ZINC000026251458 563024441 /nfs/dbraw/zinc/02/44/41/563024441.db2.gz MOKIMDDFQVTSMH-PSWAGMNNSA-N 1 0 458.627 5.832 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOc2ccccc2)cc1 ZINC000026255599 563024630 /nfs/dbraw/zinc/02/46/30/563024630.db2.gz XQBKXNRXIKXCSV-HNRBIFIRSA-N 1 0 466.625 5.944 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026272540 563025090 /nfs/dbraw/zinc/02/50/90/563025090.db2.gz JBSWJHDISRKUBT-IHLOFXLRSA-N 1 0 471.641 6.647 1 0 JKAFRO Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@H]3C[C@H]3C[NH+]3CCCC3)sc2c1 ZINC000026283108 563025531 /nfs/dbraw/zinc/02/55/31/563025531.db2.gz IYEPCCAQQAXNKF-IRXDYDNUSA-N 1 0 469.010 5.181 1 0 JKAFRO C[C@@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000026287267 563025583 /nfs/dbraw/zinc/02/55/83/563025583.db2.gz MZPZPLOHGVBKAT-WMZHIEFXSA-N 1 0 488.550 5.776 1 0 JKAFRO O=c1[nH]c(-c2ccc(F)cc2)c(CC[NH+]2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)o1 ZINC000026294839 563025887 /nfs/dbraw/zinc/02/58/87/563025887.db2.gz XCDBUANUXCWDRW-UHFFFAOYSA-N 1 0 470.759 5.099 1 0 JKAFRO COc1ccc([S@@](=O)c2ccc([C@@H](C3CCCCC3)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1 ZINC000026380095 563026621 /nfs/dbraw/zinc/02/66/21/563026621.db2.gz CSHHMALNFJAJIB-QTQRRKOQSA-N 1 0 494.745 6.434 1 0 JKAFRO NC(=[NH2+])c1cccc(O[C@@H](C(=O)Nc2cc(Cl)c(-n3cccc3)cc2Cl)c2ccccc2)c1 ZINC000026379710 563026640 /nfs/dbraw/zinc/02/66/40/563026640.db2.gz HVUHZPALQDNSEC-HSZRJFAPSA-N 1 0 479.367 5.827 1 0 JKAFRO NC(=[NH2+])c1cccc(O[C@H](C(=O)Nc2ccc(-n3cnc(Cl)c3Cl)cc2)c2ccccc2)c1 ZINC000026385287 563027020 /nfs/dbraw/zinc/02/70/20/563027020.db2.gz BKUDGMPUAUOPSY-FQEVSTJZSA-N 1 0 480.355 5.222 1 0 JKAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000026389374 563027175 /nfs/dbraw/zinc/02/71/75/563027175.db2.gz RNBVSRFJPOOHSJ-XMMPIXPASA-N 1 0 468.490 5.719 1 0 JKAFRO O=C(C[NH+]1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(Cl)cc2-3)CC1 ZINC000026497954 563028923 /nfs/dbraw/zinc/02/89/23/563028923.db2.gz WSZKYTOWINCRAY-UHFFFAOYSA-N 1 0 473.086 5.089 1 0 JKAFRO NC(=O)c1ccc2c(c1)CCO[C@H]2CC[N@H+]1CC=C(c2c[nH]c3c2ccc(Cl)c3Cl)CC1 ZINC000026500547 563029102 /nfs/dbraw/zinc/02/91/02/563029102.db2.gz MQVUUDPTRYMPLY-QFIPXVFZSA-N 1 0 470.400 5.367 1 0 JKAFRO COc1ccc(COc2cc(N)c(Cl)cc2C(=O)CCCC[NH+]2CCCCC2)cc1OC ZINC000026504165 563029360 /nfs/dbraw/zinc/02/93/60/563029360.db2.gz QTUQKCFDHXHBOB-UHFFFAOYSA-N 1 0 461.002 5.357 1 0 JKAFRO CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CC[NH+](CCc2ccccc2)CC1 ZINC000026509324 563029603 /nfs/dbraw/zinc/02/96/03/563029603.db2.gz BPTKNLOZJJWGER-UHFFFAOYSA-N 1 0 451.611 5.568 1 0 JKAFRO Oc1ccc2c(c1)S[C@H](C1CCCCCC1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026573894 563030220 /nfs/dbraw/zinc/03/02/20/563030220.db2.gz KBVQEEKNQSIIOL-WUFINQPMSA-N 1 0 467.675 6.822 1 0 JKAFRO Oc1ccc(C[C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026573507 563030231 /nfs/dbraw/zinc/03/02/31/563030231.db2.gz DUNNSQNKGZRPRD-IZLXSDGUSA-N 1 0 477.626 5.800 1 0 JKAFRO CCCSc1ccccc1N1CC[NH+](CCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 ZINC000026574734 563030287 /nfs/dbraw/zinc/03/02/87/563030287.db2.gz YEBWFZBYQOGEEH-UHFFFAOYSA-N 1 0 486.685 6.323 1 0 JKAFRO Oc1ccc2c(c1)S[C@H](Cc1ccccc1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026574886 563030315 /nfs/dbraw/zinc/03/03/15/563030315.db2.gz PLAHCTCPRXHVKW-IZLXSDGUSA-N 1 0 461.627 6.094 1 0 JKAFRO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCC[NH+]1CCCCC1 ZINC000026576205 563030607 /nfs/dbraw/zinc/03/06/07/563030607.db2.gz BWRRQRJOQYKKBG-UHFFFAOYSA-N 1 0 494.683 7.335 1 0 JKAFRO CN(C)c1ccc(-c2nc(-c3ccc(/C=C/C[NH+](C)C)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000026576979 563030669 /nfs/dbraw/zinc/03/06/69/563030669.db2.gz LQKYIVAPTGEZOQ-BQYQJAHWSA-N 1 0 465.645 6.118 1 0 JKAFRO Clc1ccc([C@H](c2ccccc2)N2CC[NH+](CCCOCc3ccc4ccccc4c3)CC2)cc1 ZINC000026643479 563031693 /nfs/dbraw/zinc/03/16/93/563031693.db2.gz JLKFMYIIEJUPGX-HKBQPEDESA-N 1 0 485.071 6.807 1 0 JKAFRO CN(C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000026646389 563031890 /nfs/dbraw/zinc/03/18/90/563031890.db2.gz XTWSQGXILYNBTF-MHZLTWQESA-N 1 0 468.707 5.773 1 0 JKAFRO CN(C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026649205 563031974 /nfs/dbraw/zinc/03/19/74/563031974.db2.gz UETIGXLCWMKVCO-MHZLTWQESA-N 1 0 462.659 5.361 1 0 JKAFRO CN(CC[C@@H](C[NH+]1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026647841 563031980 /nfs/dbraw/zinc/03/19/80/563031980.db2.gz ZJDNWOLOLRKWJY-MHZLTWQESA-N 1 0 462.659 5.361 1 0 JKAFRO Clc1ccc([C@H](c2ccccc2)N2CC[NH+](CCCOCc3cccc4ccccc43)CC2)cc1 ZINC000026650746 563032107 /nfs/dbraw/zinc/03/21/07/563032107.db2.gz UYWGWRZYEDOPQI-HKBQPEDESA-N 1 0 485.071 6.807 1 0 JKAFRO Oc1ccc([C@@H]2Sc3cc(O)c(Cl)cc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026651278 563032198 /nfs/dbraw/zinc/03/21/98/563032198.db2.gz DPJBFJCLAIXZQN-SXOMAYOGSA-N 1 0 498.044 6.583 1 0 JKAFRO Oc1ccc([C@@H]2Sc3cc(Cl)c(O)cc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026656632 563032495 /nfs/dbraw/zinc/03/24/95/563032495.db2.gz LGFFULDKAUEYEY-SXOMAYOGSA-N 1 0 498.044 6.583 1 0 JKAFRO Oc1cccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH2+]C3CCCCCC3)cc2)c1 ZINC000026656969 563032514 /nfs/dbraw/zinc/03/25/14/563032514.db2.gz HAPHHDHJYACFIS-URLMMPGGSA-N 1 0 491.653 6.756 1 0 JKAFRO Brc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000026658150 563032651 /nfs/dbraw/zinc/03/26/51/563032651.db2.gz DGPUZKDKMFOLFB-LMSSTIIKSA-N 1 0 489.501 6.544 1 0 JKAFRO Oc1ccc([C@@H]2Sc3cc(O)cc(Cl)c3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026661269 563032668 /nfs/dbraw/zinc/03/26/68/563032668.db2.gz KDGZXHYYUFZJAA-VPUSJEBWSA-N 1 0 498.044 6.583 1 0 JKAFRO CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H]([NH3+])C[C@@H](CC)Cc1ccc(C(C)(C)C)c(OCCCC)c1 ZINC000026663226 563032825 /nfs/dbraw/zinc/03/28/25/563032825.db2.gz LOLDSTKZCIAOHE-JPMIEVGJSA-N 1 0 476.746 5.753 1 0 JKAFRO Cc1cc2c(cc1O)O[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)[C@H](c1ccc(O)cc1)S2 ZINC000026661883 563032849 /nfs/dbraw/zinc/03/28/49/563032849.db2.gz BZIPUTIRZYCJEH-IZLXSDGUSA-N 1 0 477.626 6.238 1 0 JKAFRO COc1ccccc1C(=O)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026665058 563032925 /nfs/dbraw/zinc/03/29/25/563032925.db2.gz ISEJXEBPPGQCCY-XTEPFMGCSA-N 1 0 454.614 5.431 1 0 JKAFRO O=C(CN1CCCCC1)Nc1cc(C[NH+]2CCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672430 563033409 /nfs/dbraw/zinc/03/34/09/563033409.db2.gz CWGSXNCSQQWMAR-UHFFFAOYSA-N 1 0 478.040 5.652 1 0 JKAFRO O=C(C[NH2+]Cc1ccc(Cl)cc1)Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026673300 563033413 /nfs/dbraw/zinc/03/34/13/563033413.db2.gz LWDGYYFLQLSVNU-UHFFFAOYSA-N 1 0 481.383 5.506 1 0 JKAFRO CC(C)(C)[NH2+]Cc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026675069 563033591 /nfs/dbraw/zinc/03/35/91/563033591.db2.gz QSOGJVOTGLFPIT-UHFFFAOYSA-N 1 0 480.056 5.944 1 0 JKAFRO CC1CC[NH+](CCCCC(=O)Nc2cc(CO)cc(Nc3ccnc4cc(Cl)ccc43)c2)CC1 ZINC000026717565 563033677 /nfs/dbraw/zinc/03/36/77/563033677.db2.gz CVKGSRDEGXDDFG-UHFFFAOYSA-N 1 0 481.040 5.965 1 0 JKAFRO Cn1cc(/C=C/c2cc(C3CC[NH2+]CC3)nn2-c2cccc(Cl)c2)c2cc(Cl)ccc21 ZINC000026729051 563034168 /nfs/dbraw/zinc/03/41/68/563034168.db2.gz FNCACMZVIDUNBQ-FNORWQNLSA-N 1 0 451.401 6.308 1 0 JKAFRO O=C(C[NH2+]Cc1ccccc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000026752977 563035321 /nfs/dbraw/zinc/03/53/21/563035321.db2.gz LAPHHLKLUZAQJE-UHFFFAOYSA-N 1 0 458.005 5.048 1 0 JKAFRO C[C@H]([NH2+]Cc1nc2ccccc2[nH]1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026751866 563035346 /nfs/dbraw/zinc/03/53/46/563035346.db2.gz OSMUKSUFVCBALC-GMBKRLOVSA-N 1 0 477.737 6.697 1 0 JKAFRO Cn1c2ccc(Cl)cc2c(CCC(=O)N2CC[NH+](C3CCCCC3)CC2)c1-c1ccc(Cl)cc1 ZINC000026822810 563035698 /nfs/dbraw/zinc/03/56/98/563035698.db2.gz BDUFSRWYMLBPMN-UHFFFAOYSA-N 1 0 498.498 6.562 1 0 JKAFRO CC(C)CC[NH+]1CCN(C(=O)CCc2c3cc(Cl)ccc3n(C)c2-c2ccc(Cl)cc2)CC1 ZINC000026828478 563036090 /nfs/dbraw/zinc/03/60/90/563036090.db2.gz FAQUNGSUXKEHRR-UHFFFAOYSA-N 1 0 486.487 6.275 1 0 JKAFRO O=c1oc2cc(O)ccc2c(-c2ccc(OCCCC[NH+]3CCCCC3)cc2)c1-c1ccccc1 ZINC000027087624 563039340 /nfs/dbraw/zinc/03/93/40/563039340.db2.gz RMVCQXKXNXSVHL-UHFFFAOYSA-N 1 0 469.581 6.478 1 0 JKAFRO C[C@@H](C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027106314 563040388 /nfs/dbraw/zinc/04/03/88/563040388.db2.gz YOYKYWQOJLXSNN-CUBQBAPOSA-N 1 0 461.671 6.292 1 0 JKAFRO C[C@H](Nc1cc(-c2sc(C3(O)CC[NH+](C)CC3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000027107565 563040435 /nfs/dbraw/zinc/04/04/35/563040435.db2.gz RITXYPWPIMALLO-IBGZPJMESA-N 1 0 488.632 6.098 1 0 JKAFRO COc1ccc(CC[NH+]2CCC(COC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000027185926 563040844 /nfs/dbraw/zinc/04/08/44/563040844.db2.gz LCTZFOBEVNQSGY-UHFFFAOYSA-N 1 0 484.467 7.063 1 0 JKAFRO COc1ccc(/C=C/C2(O)CC[NH+](C)CC2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1 ZINC000027190629 563040992 /nfs/dbraw/zinc/04/09/92/563040992.db2.gz XSANDODFQKLIFO-VAWYXSNFSA-N 1 0 478.539 5.418 1 0 JKAFRO COc1ccc(C[C@@H]2CN3C(=[NH+]C[C@H]3C3CCCCC3)N2[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027209833 563041959 /nfs/dbraw/zinc/04/19/59/563041959.db2.gz CZTBHIMDQIEDMY-FPZDPMHASA-N 1 0 475.721 6.147 1 0 JKAFRO COc1ccc(C[C@@H]2CN3C(=[NH+]C[C@@H]3C3CCCCC3)N2[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027211853 563042121 /nfs/dbraw/zinc/04/21/21/563042121.db2.gz CZTBHIMDQIEDMY-LOYZAAJKSA-N 1 0 475.721 6.147 1 0 JKAFRO COc1cc([C@@H]2Oc3ccccc3N(CCCCC[NH+]3[C@@H](C)CCC[C@@H]3C)C2=O)cc(OC)c1OC ZINC000027323481 563042866 /nfs/dbraw/zinc/04/28/66/563042866.db2.gz KWCIDGOKXJECAI-IZVMNLJQSA-N 1 0 496.648 5.612 1 0 JKAFRO CC(C)=CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC=C([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)[C@H]1OC(C)=O ZINC000027443188 563044480 /nfs/dbraw/zinc/04/44/80/563044480.db2.gz SYWAOYCXRQDRLP-XSKJTXNUSA-N 1 0 484.725 5.508 1 0 JKAFRO CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@H]1CNC(=O)Cc1cccc2sccc21 ZINC000027521551 563045035 /nfs/dbraw/zinc/04/50/35/563045035.db2.gz FNFBKLDSIIFZSU-LJQANCHMSA-N 1 0 457.574 5.055 1 0 JKAFRO O[C@H](c1cc(Oc2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCC[NH2+]1 ZINC000027523332 563045212 /nfs/dbraw/zinc/04/52/12/563045212.db2.gz CNOIHTJZFNRBMB-GHTZIAJQSA-N 1 0 472.199 6.816 1 0 JKAFRO O[C@H](c1cc(-c2cccc(C(F)(F)F)c2)nc2c1cccc2C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000027523673 563045301 /nfs/dbraw/zinc/04/53/01/563045301.db2.gz FJCHTACKGSXILE-GHTZIAJQSA-N 1 0 454.414 6.115 1 0 JKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000027526441 563045610 /nfs/dbraw/zinc/04/56/10/563045610.db2.gz VQDQYRCYSZGICA-HSZRJFAPSA-N 1 0 463.474 5.858 1 0 JKAFRO C[C@H](Oc1ccc(Cl)cc1Cl)c1sc2ccccc2c1CCN1CCC([NH+](C)C)CC1 ZINC000027547589 563045743 /nfs/dbraw/zinc/04/57/43/563045743.db2.gz GWEOLVZRSLFSNU-KRWDZBQOSA-N 1 0 477.501 6.917 1 0 JKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000027548353 563045893 /nfs/dbraw/zinc/04/58/93/563045893.db2.gz HFVUIOPIZOHHTD-UHFFFAOYSA-N 1 0 476.473 6.029 1 0 JKAFRO CCNC(=O)Oc1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(O)cc3)c2c1 ZINC000027561516 563046908 /nfs/dbraw/zinc/04/69/08/563046908.db2.gz ZWKDHFCSASHQQI-UHFFFAOYSA-N 1 0 499.655 6.421 1 0 JKAFRO C[C@H](CC[NH+]1CCC(C)CC1)[C@H](C)S(=O)(=O)c1ccc(Br)c(Br)c1 ZINC000027641237 563048129 /nfs/dbraw/zinc/04/81/29/563048129.db2.gz LOCLINPOLCLDES-CABCVRRESA-N 1 0 481.294 5.132 1 0 JKAFRO CN(C)c1ccc(CC(=O)NCCCCCCCCCCCC[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027649235 563048507 /nfs/dbraw/zinc/04/85/07/563048507.db2.gz MADMAPUCTHVXHH-UHFFFAOYSA-N 1 0 495.796 6.871 1 0 JKAFRO O=C(/C=C/c1cccnc1Cl)NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027652133 563048686 /nfs/dbraw/zinc/04/86/86/563048686.db2.gz SPDMEVZUOZUJEG-FOCLMDBBSA-N 1 0 489.063 5.052 1 0 JKAFRO O=C(/C=C/c1cncc(Cl)c1)NCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027655829 563049025 /nfs/dbraw/zinc/04/90/25/563049025.db2.gz GUALWDLSIURSJU-BUHFOSPRSA-N 1 0 489.063 5.052 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1cccc(OCC[NH+]2CCCC2)c1 ZINC000027656179 563049102 /nfs/dbraw/zinc/04/91/02/563049102.db2.gz PLIUCEMVAGBJSL-URLMMPGGSA-N 1 0 457.614 6.257 1 0 JKAFRO Cc1cc2[nH]c(=O)n(C3CC[NH+](CCCN(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2cc1C ZINC000027705844 563049512 /nfs/dbraw/zinc/04/95/12/563049512.db2.gz IEKHFGXRBQIPOG-UHFFFAOYSA-N 1 0 490.598 6.090 1 0 JKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](CCCN(c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000027718730 563050084 /nfs/dbraw/zinc/05/00/84/563050084.db2.gz PCKLGGNLJGIBAY-UHFFFAOYSA-N 1 0 461.009 5.848 1 0 JKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC(C)C)C(C2=CCN(C(=O)OC(C)(C)C)C=C2)C1C(=O)OCC(C)C ZINC000027724541 563050386 /nfs/dbraw/zinc/05/03/86/563050386.db2.gz YOOQZZHJMMAMAR-COUQNMRISA-N 1 0 488.625 5.683 1 0 JKAFRO CCCCC(=O)O[C@@H]1C(=O)N(CC[NH+](C)C)c2ccc(Cl)cc2S[C@@H]1c1ccc(OC)cc1 ZINC000027754183 563051311 /nfs/dbraw/zinc/05/13/11/563051311.db2.gz CJYJYLLYIVLLTE-BJKOFHAPSA-N 1 0 491.053 5.192 1 0 JKAFRO CCCCC(=O)O[C@@H]1C(=O)N(CC[NH+](C)C)c2ccc(Cl)cc2S[C@H]1c1ccc(OC)cc1 ZINC000027754199 563051316 /nfs/dbraw/zinc/05/13/16/563051316.db2.gz CJYJYLLYIVLLTE-ZEQRLZLVSA-N 1 0 491.053 5.192 1 0 JKAFRO COc1cc2c(cc1F)CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027766083 563051563 /nfs/dbraw/zinc/05/15/63/563051563.db2.gz VZLZZEUXLXPWFX-URXFXBBRSA-N 1 0 465.396 5.294 1 0 JKAFRO CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2cccc(OC)c2CC[C@@H]1[NH+]1CCCC1 ZINC000027854364 563051961 /nfs/dbraw/zinc/05/19/61/563051961.db2.gz DQNLWENAKLPZAE-DHLKQENFSA-N 1 0 461.433 5.545 1 0 JKAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccc3ccccc3c2CC[C@@H]1[NH+]1CCCC1 ZINC000027852230 563051947 /nfs/dbraw/zinc/05/19/47/563051947.db2.gz BDSSYFXEYLVNNI-BDYUSTAISA-N 1 0 467.440 6.299 1 0 JKAFRO Fc1ccc(C(CCC[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c2ccc(F)cc2)cc1 ZINC000027861966 563052151 /nfs/dbraw/zinc/05/21/51/563052151.db2.gz OMXGZAIGKZEXTM-UHFFFAOYSA-N 1 0 464.531 7.037 1 0 JKAFRO c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(N2CCCC2)cc1 ZINC000027865019 563052337 /nfs/dbraw/zinc/05/23/37/563052337.db2.gz FTLPANJNKGQLFR-UHFFFAOYSA-N 1 0 482.693 7.234 1 0 JKAFRO CCCCC[NH2+]C[C@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027872143 563052488 /nfs/dbraw/zinc/05/24/88/563052488.db2.gz ABADCCYLYPCHJM-QHCPKHFHSA-N 1 0 457.570 5.647 1 0 JKAFRO COc1cc2c(cc1OC)[C@@H](CC[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)OC(C)(C)C2 ZINC000027889288 563052920 /nfs/dbraw/zinc/05/29/20/563052920.db2.gz APHFRZCJEAXGLS-JOCHJYFZSA-N 1 0 478.555 5.327 1 0 JKAFRO COc1cc2c(cc1OC)[C@](CCC[NH+]1CCN(c3ccccc3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027891718 563052948 /nfs/dbraw/zinc/05/29/48/563052948.db2.gz WACAOMLSBYWCOH-PMERELPUSA-N 1 0 490.619 5.262 1 0 JKAFRO CCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1CCc1ccc(S(N)(=O)=O)cc1 ZINC000027989442 563053910 /nfs/dbraw/zinc/05/39/10/563053910.db2.gz YNQASFXZIOAHDS-UHFFFAOYSA-N 1 0 457.619 5.151 1 0 JKAFRO NS(=O)(=O)c1ccc(C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000027995201 563054110 /nfs/dbraw/zinc/05/41/10/563054110.db2.gz DQLMCTIJJCYOFC-UHFFFAOYSA-N 1 0 477.609 5.671 1 0 JKAFRO COc1ccc(OCCCCCC[N@H+](C)C2CCCCC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028012539 563054837 /nfs/dbraw/zinc/05/48/37/563054837.db2.gz PGWMWBRDGQAYGW-LJAQVGFWSA-N 1 0 496.717 7.056 1 0 JKAFRO CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000028012603 563054839 /nfs/dbraw/zinc/05/48/39/563054839.db2.gz YVGNPRHFBJDOHH-UHFFFAOYSA-N 1 0 473.048 7.067 1 0 JKAFRO CCCCC[C@H](O)/C=C/[C@H]1[C@H](SCC[NH+](CC)CC)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC ZINC000028014962 563055040 /nfs/dbraw/zinc/05/50/40/563055040.db2.gz VBIZLYIQRDKKMS-JTGIDAORSA-N 1 0 481.743 5.422 1 0 JKAFRO COc1ccc(OCCCCC[N@H+](C)C2CCCCC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028016169 563055067 /nfs/dbraw/zinc/05/50/67/563055067.db2.gz KSUAZGPZFCMAMK-NDEPHWFRSA-N 1 0 482.690 6.666 1 0 JKAFRO CCCCCC[NH+](CCCCCC)CCCCCCNc1cc(OC)cc2c(C)ccnc12 ZINC000028020222 563055239 /nfs/dbraw/zinc/05/52/39/563055239.db2.gz ULRCAPZWWOXBMZ-UHFFFAOYSA-N 1 0 455.731 7.987 1 0 JKAFRO Clc1ccc([C@@H]2C[C@H]([NH+]3CCN(C/C=C/c4ccccc4)CC3)c3ccccc32)cc1Cl ZINC000028087238 563055505 /nfs/dbraw/zinc/05/55/05/563055505.db2.gz CQHFAVPNRLFXIP-QMONJMGBSA-N 1 0 463.452 6.901 1 0 JKAFRO CCCC(=O)OCC1(N(C(=O)CCC)c2ccccc2)CC[NH+](CCc2cccs2)CC1 ZINC000028089587 563055596 /nfs/dbraw/zinc/05/55/96/563055596.db2.gz MUJQRZSLPIIITG-UHFFFAOYSA-N 1 0 456.652 5.302 1 0 JKAFRO Brc1ccc(-c2[nH]c3cccc(-c4ccccc4)c3c2CCC[NH+]2CCCC2)cc1 ZINC000028093765 563055780 /nfs/dbraw/zinc/05/57/80/563055780.db2.gz UCPULAYBGKRBBW-UHFFFAOYSA-N 1 0 459.431 7.293 1 0 JKAFRO O=C(NC[C@@H](CC[NH2+]C1CCCC1)c1ccc(-c2cccnc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028112950 563056470 /nfs/dbraw/zinc/05/64/70/563056470.db2.gz HASYELTZODRLEM-JOCHJYFZSA-N 1 0 497.470 6.883 1 0 JKAFRO COc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000028116226 563056606 /nfs/dbraw/zinc/05/66/06/563056606.db2.gz YLLQTYFPCPQMDK-ATIYNZHBSA-N 1 0 453.602 5.469 1 0 JKAFRO C[N@H+](Cc1ccccn1)[C@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000028120363 563056742 /nfs/dbraw/zinc/05/67/42/563056742.db2.gz JWXCLECDJCIPAS-LJAQVGFWSA-N 1 0 462.597 5.712 1 0 JKAFRO O=C(NC[C@H](CC[NH2+]C1CCCC1)c1ccc(-c2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028118369 563056786 /nfs/dbraw/zinc/05/67/86/563056786.db2.gz FALDQSPWCQAMAR-QHCPKHFHSA-N 1 0 496.482 7.488 1 0 JKAFRO O=C(NC[C@@H](CC[NH2+]C1CCCC1)c1ccc(-c2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028118362 563056791 /nfs/dbraw/zinc/05/67/91/563056791.db2.gz FALDQSPWCQAMAR-HSZRJFAPSA-N 1 0 496.482 7.488 1 0 JKAFRO CCC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC(C)C ZINC000028129820 563057208 /nfs/dbraw/zinc/05/72/08/563057208.db2.gz PFZRTZHJFALING-UHFFFAOYSA-N 1 0 474.807 7.734 1 0 JKAFRO Cc1ccccc1CC(=O)N1CCC([NH+]2CCC(Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000028131474 563057317 /nfs/dbraw/zinc/05/73/17/563057317.db2.gz HYKZDHSSNYWLPQ-UHFFFAOYSA-N 1 0 459.461 5.790 1 0 JKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCCOc1ccccc1 ZINC000028221439 563057882 /nfs/dbraw/zinc/05/78/82/563057882.db2.gz ZWDIYRXWQVZCRG-QFIPXVFZSA-N 1 0 465.638 6.109 1 0 JKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCCOc1ccccc1 ZINC000028221442 563057908 /nfs/dbraw/zinc/05/79/08/563057908.db2.gz ZWDIYRXWQVZCRG-JOCHJYFZSA-N 1 0 465.638 6.109 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(C(=[NH2+])N3CCCC3)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028234952 563058471 /nfs/dbraw/zinc/05/84/71/563058471.db2.gz SWLCIXQHUFMUDJ-UHFFFAOYSA-N 1 0 475.955 5.800 1 0 JKAFRO O=C(CSc1nc2ccccc2s1)NC[C@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000028236352 563058535 /nfs/dbraw/zinc/05/85/35/563058535.db2.gz IRFNTNBTSFCHKY-LJQANCHMSA-N 1 0 461.656 5.570 1 0 JKAFRO O=C(CSc1nc2ccccc2s1)NC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000028236357 563058574 /nfs/dbraw/zinc/05/85/74/563058574.db2.gz RJHBGQPOEDNXDL-FQEVSTJZSA-N 1 0 461.656 5.570 1 0 JKAFRO CCS(=O)(=O)c1ccc(OC)c(-c2ccc(C[N@@H+]3CCCCCC[C@H]3c3ccccc3)[nH]2)c1 ZINC000028237452 563058578 /nfs/dbraw/zinc/05/85/78/563058578.db2.gz QIKNEDWYBRZNKC-SANMLTNESA-N 1 0 466.647 5.991 1 0 JKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(F)c3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028242763 563058693 /nfs/dbraw/zinc/05/86/93/563058693.db2.gz YARKZZXTGJXJEP-JLHYYAGUSA-N 1 0 497.614 5.446 1 0 JKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc21 ZINC000028245426 563058861 /nfs/dbraw/zinc/05/88/61/563058861.db2.gz XQGXCFPHZVHVIS-XUNRKZSFSA-N 1 0 479.624 5.307 1 0 JKAFRO C[C@H]([C@H](c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)[NH+](C)C ZINC000028331853 563059613 /nfs/dbraw/zinc/05/96/13/563059613.db2.gz ZYAKTISGGAZUDF-LYZGTLIUSA-N 1 0 457.618 6.332 1 0 JKAFRO Brc1ccc(CC[N@H+](Cc2cnc[nH]2)Cc2ccc(Oc3ccccc3)cc2)cc1 ZINC000028335271 563059807 /nfs/dbraw/zinc/05/98/07/563059807.db2.gz CMGIYMUBWMWULU-UHFFFAOYSA-N 1 0 462.391 6.209 1 0 JKAFRO Cc1ccc(Cl)c(OC2([C@@H](O)C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)CCCCC2)c1 ZINC000028336520 563059995 /nfs/dbraw/zinc/05/99/95/563059995.db2.gz YHSQFQMXFCKVHU-VWLOTQADSA-N 1 0 484.040 5.071 1 0 JKAFRO CN(C(=O)Cc1cccc(Cl)c1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028336988 563060039 /nfs/dbraw/zinc/06/00/39/563060039.db2.gz GZKCRVMZZLNDEK-UHFFFAOYSA-N 1 0 461.049 6.028 1 0 JKAFRO CC(C)[C@@H]1CC[N@H+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1 ZINC000028337561 563060108 /nfs/dbraw/zinc/06/01/08/563060108.db2.gz YMMHAHMATMOTRF-MXUAVAHLSA-N 1 0 491.653 6.422 1 0 JKAFRO C[NH+]1CCN(CCCOc2ccc(-c3cc(-c4ccc(Oc5ccccc5)cc4)no3)cc2)CC1 ZINC000028347861 563060909 /nfs/dbraw/zinc/06/09/09/563060909.db2.gz TVXRNTLEASGFHN-UHFFFAOYSA-N 1 0 469.585 5.817 1 0 JKAFRO CC1(C)CC[N@H+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1 ZINC000028349201 563060979 /nfs/dbraw/zinc/06/09/79/563060979.db2.gz FAZOEMRTBCXQLO-RRPNLBNLSA-N 1 0 477.626 6.176 1 0 JKAFRO O=C1OC2(CCC([NH+]3CCC(Cc4ccccc4Cl)CC3)CC2)c2ccc3c(c21)OCO3 ZINC000028351248 563061076 /nfs/dbraw/zinc/06/10/76/563061076.db2.gz YGPACKIZBWAMPG-UHFFFAOYSA-N 1 0 453.966 5.332 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3C4CCC3CC4)cc2)cc1 ZINC000028354505 563061342 /nfs/dbraw/zinc/06/13/42/563061342.db2.gz AHZXOWRUYBWOSI-QZQYRZTLSA-N 1 0 475.610 6.071 1 0 JKAFRO CC[C@H]1CC[N@H+](CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1 ZINC000028359007 563061598 /nfs/dbraw/zinc/06/15/98/563061598.db2.gz MYPYUWTXZVADBB-LVRGLSNDSA-N 1 0 477.626 6.176 1 0 JKAFRO O=C1CC[C@](CC[NH+]2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CCC1CC1 ZINC000028369206 563062238 /nfs/dbraw/zinc/06/22/38/563062238.db2.gz GYMSXLBOYPSJRT-AREMUKBSSA-N 1 0 496.498 5.162 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@@H](c2ccc([C@@H](O)CC[NH+]3CCCCC3)cc2)c2cc(O)ccc2C1 ZINC000028375574 563062626 /nfs/dbraw/zinc/06/26/26/563062626.db2.gz XMVZTBZRGWZAOZ-WNJJXGMVSA-N 1 0 485.649 6.306 1 0 JKAFRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000028383436 563063067 /nfs/dbraw/zinc/06/30/67/563063067.db2.gz QWMKDONQFULFHL-QHCPKHFHSA-N 1 0 458.562 5.337 1 0 JKAFRO CCOc1ccc(Br)cc1C[NH2+]CCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000028384845 563063168 /nfs/dbraw/zinc/06/31/68/563063168.db2.gz IAWRSCYPISKFPQ-UHFFFAOYSA-N 1 0 474.321 5.168 1 0 JKAFRO CCCCCSCCC[N@H+](C)CCCCCC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028385675 563063193 /nfs/dbraw/zinc/06/31/93/563063193.db2.gz ALXFBXZUXCHLTA-NVQSTNCTSA-N 1 0 497.789 8.614 1 0 JKAFRO CCNC(=O)c1ccc(C(C2=CN(OC)C=CC2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028395413 563063810 /nfs/dbraw/zinc/06/38/10/563063810.db2.gz VLJJAFQROOXFMM-WMPKNSHKSA-N 1 0 459.590 5.275 1 0 JKAFRO CCNC(=O)c1ccc(C(c2cccc(NC(C)=O)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028397878 563064000 /nfs/dbraw/zinc/06/40/00/563064000.db2.gz OZVHZWPBRJWEIN-HNRBIFIRSA-N 1 0 483.612 5.617 1 0 JKAFRO [NH3+]CCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cccc(Br)c1 ZINC000028461014 563064491 /nfs/dbraw/zinc/06/44/91/563064491.db2.gz NGOPKQSHQYOAEE-UHFFFAOYSA-N 1 0 470.440 5.263 1 0 JKAFRO CCC[N@H+](CCC1CC1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028460148 563064543 /nfs/dbraw/zinc/06/45/43/563064543.db2.gz QQQFMIGPYLQEKU-UHFFFAOYSA-N 1 0 482.594 7.234 1 0 JKAFRO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)CC1CCC1 ZINC000028464219 563064801 /nfs/dbraw/zinc/06/48/01/563064801.db2.gz HHTTYIZINSRKEU-UHFFFAOYSA-N 1 0 482.594 7.234 1 0 JKAFRO COc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000028469859 563065328 /nfs/dbraw/zinc/06/53/28/563065328.db2.gz NWCZSBYBGHIZGJ-HXUWFJFHSA-N 1 0 490.475 5.108 1 0 JKAFRO O=C(NC[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2[nH]ccc2c1 ZINC000028470481 563065345 /nfs/dbraw/zinc/06/53/45/563065345.db2.gz MVBQPHOIQWJEQS-HXUWFJFHSA-N 1 0 499.486 5.581 1 0 JKAFRO Cc1ccc(NC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028476780 563066087 /nfs/dbraw/zinc/06/60/87/563066087.db2.gz BLKAFNSEWMLWRN-VWLOTQADSA-N 1 0 488.598 5.827 1 0 JKAFRO C[NH+]1CCN([C@H](CNC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000028520264 563066173 /nfs/dbraw/zinc/06/61/73/563066173.db2.gz XZKKETDVVOCNFX-LJQANCHMSA-N 1 0 475.342 5.122 1 0 JKAFRO O=C(Cc1cc(Cl)cc(Cl)c1)NC[C@@H](c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000028478141 563066188 /nfs/dbraw/zinc/06/61/88/563066188.db2.gz XZZHXQBAHUQDLK-VWLOTQADSA-N 1 0 474.476 5.344 1 0 JKAFRO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028522979 563066658 /nfs/dbraw/zinc/06/66/58/563066658.db2.gz PXULGTAZSZWVHW-QRLJAKNQSA-N 1 0 499.699 6.096 1 0 JKAFRO COc1cccc(C[NH+]2CCCCCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028524369 563067132 /nfs/dbraw/zinc/06/71/32/563067132.db2.gz UNPJHTCCHUDIIF-UHFFFAOYSA-N 1 0 457.039 6.817 1 0 JKAFRO O=C(NCCc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000028524437 563067179 /nfs/dbraw/zinc/06/71/79/563067179.db2.gz AMTYGMJDBHQSJT-UHFFFAOYSA-N 1 0 469.589 5.289 1 0 JKAFRO CC(C)[NH2+][C@H](CNc1cc(-c2ccncc2)c(-c2cccc3ccccc32)nn1)Cc1ccccc1 ZINC000028524543 563067248 /nfs/dbraw/zinc/06/72/48/563067248.db2.gz ILDLFJMXTDUWIR-SANMLTNESA-N 1 0 473.624 6.380 1 0 JKAFRO O=C(Nc1ccccc1NC(=O)c1cccc(Cl)c1)OCC1CCN(c2cc[nH+]cc2)CC1 ZINC000028524485 563067251 /nfs/dbraw/zinc/06/72/51/563067251.db2.gz NTDSCFYFAMOBNU-UHFFFAOYSA-N 1 0 464.953 5.452 1 0 JKAFRO O=C(NCc1ccc(Oc2ccccc2)cc1)Nc1ccc2cnn(CC[NH+]3CCCC3)c2c1 ZINC000028524671 563067258 /nfs/dbraw/zinc/06/72/58/563067258.db2.gz SHSVOLDXXBHQPQ-UHFFFAOYSA-N 1 0 455.562 5.246 1 0 JKAFRO COc1cc2c(cc1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)N(C(=O)Nc1cccc(C(F)(F)F)c1Cl)CC2 ZINC000028524605 563067260 /nfs/dbraw/zinc/06/72/60/563067260.db2.gz XFKUPJILUUYZFO-GASCZTMLSA-N 1 0 496.961 5.491 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccc3ccccc3c2)CC1)c1cc(Cl)ccc1NCc1nccs1 ZINC000028525960 563067722 /nfs/dbraw/zinc/06/77/22/563067722.db2.gz QXOVDVVHABLTCE-UHFFFAOYSA-N 1 0 491.060 5.956 1 0 JKAFRO O[C@H](COCc1ccco1)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028525917 563067760 /nfs/dbraw/zinc/06/77/60/563067760.db2.gz VSUZTXVBVZBVPK-DEOSSOPVSA-N 1 0 475.564 5.233 1 0 JKAFRO O[C@@H](COCc1ccccc1)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028528050 563068206 /nfs/dbraw/zinc/06/82/06/563068206.db2.gz VFDSMHHFIVMKKE-HHHXNRCGSA-N 1 0 485.603 5.640 1 0 JKAFRO COC(=O)CN1c2ccccc2C2(CC[NH+](CC3CCCCCCCCCCC3)CC2)C1=O ZINC000028528323 563068282 /nfs/dbraw/zinc/06/82/82/563068282.db2.gz JVRRNLQTPGDBRY-UHFFFAOYSA-N 1 0 454.655 5.461 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)c1-c1ccc(O)cc1 ZINC000028530501 563068754 /nfs/dbraw/zinc/06/87/54/563068754.db2.gz JGIGPQNAVZRGNQ-HXUWFJFHSA-N 1 0 456.586 5.797 1 0 JKAFRO C[C@H]1C[N@H+](CCc2ccccc2)[C@H](CCNC(=O)c2ccccc2)C[C@@]1(C)c1cccc(O)c1 ZINC000028568083 563069950 /nfs/dbraw/zinc/06/99/50/563069950.db2.gz LNEHCLOLWAQHIF-NTGKZJMKSA-N 1 0 456.630 5.423 1 0 JKAFRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000028569137 563070310 /nfs/dbraw/zinc/07/03/10/563070310.db2.gz ZNGOHJQLGLYQDC-GOSISDBHSA-N 1 0 461.433 5.247 1 0 JKAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000028569144 563070316 /nfs/dbraw/zinc/07/03/16/563070316.db2.gz LOKISLAKLXIIOW-NDEPHWFRSA-N 1 0 452.642 5.499 1 0 JKAFRO CCCC[NH2+]Cc1cnc([C@@H](C)CC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569228 563070389 /nfs/dbraw/zinc/07/03/89/563070389.db2.gz ZFFWRUBKNVLIEV-AWEZNQCLSA-N 1 0 451.455 5.588 1 0 JKAFRO Cc1cc(N(C)CC[NH+](C)C)nc2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc12 ZINC000028569616 563070452 /nfs/dbraw/zinc/07/04/52/563070452.db2.gz UQHRKZZEJAOTMU-UHFFFAOYSA-N 1 0 452.602 5.389 1 0 JKAFRO CC[NH+](CC)CCNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 ZINC000028570714 563070771 /nfs/dbraw/zinc/07/07/71/563070771.db2.gz COJFBILINXZYET-UHFFFAOYSA-N 1 0 490.526 5.213 1 0 JKAFRO CCCCCCn1c(Cc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH3+] ZINC000028636263 563071772 /nfs/dbraw/zinc/07/17/72/563071772.db2.gz BLFNAIFLVINSMV-RUZDIDTESA-N 1 0 486.664 5.068 1 0 JKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000028636834 563071897 /nfs/dbraw/zinc/07/18/97/563071897.db2.gz ZOYKEAZXWHUXDZ-DHIFEGFHSA-N 1 0 471.641 6.153 1 0 JKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000028636836 563071899 /nfs/dbraw/zinc/07/18/99/563071899.db2.gz ZOYKEAZXWHUXDZ-JOMNFKBKSA-N 1 0 471.641 6.153 1 0 JKAFRO O=C(CCc1ccccc1)c1cccc(OC[C@@H](O)C[NH2+]CCC(c2ccccc2)c2ccccc2)c1 ZINC000028636595 563071909 /nfs/dbraw/zinc/07/19/09/563071909.db2.gz FRNYASPHBUKIKS-PMERELPUSA-N 1 0 493.647 6.054 1 0 JKAFRO FC(F)(F)c1cccc(N2CCN(CC[NH2+]Cc3cc(-c4ccccc4C(F)(F)F)no3)CC2)c1 ZINC000028640277 563072132 /nfs/dbraw/zinc/07/21/32/563072132.db2.gz NJXHRBPCCZIYSW-UHFFFAOYSA-N 1 0 498.471 5.291 1 0 JKAFRO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3)CC2)C1 ZINC000028645277 563073225 /nfs/dbraw/zinc/07/32/25/563073225.db2.gz KNQRIAFMOANTIX-NZQKXSOJSA-N 1 0 498.511 6.389 1 0 JKAFRO O=C(CCC[NH+]1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Nc1ccc(Cl)cc1Cl ZINC000028647019 563073453 /nfs/dbraw/zinc/07/34/53/563073453.db2.gz BVVUATGQKYXCKQ-UHFFFAOYSA-N 1 0 475.247 5.837 1 0 JKAFRO O=C(CCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000028647192 563073553 /nfs/dbraw/zinc/07/35/53/563073553.db2.gz KZIQBIUWCOIRDV-UHFFFAOYSA-N 1 0 475.247 5.837 1 0 JKAFRO O=C(CCC[NH+]1CCN(Cc2cccc(Cl)c2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000028647189 563073566 /nfs/dbraw/zinc/07/35/66/563073566.db2.gz NUSFIKKYWOIIDG-UHFFFAOYSA-N 1 0 475.247 5.837 1 0 JKAFRO CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(F)c1)[C@@H]1CC[C@]2(c3ccccc3)C[C@@H]2C1)C(C)C ZINC000028649955 563073749 /nfs/dbraw/zinc/07/37/49/563073749.db2.gz BZHXKJIPTKLTTO-ZQIDGUAPSA-N 1 0 469.620 6.428 1 0 JKAFRO CC(C)(C)c1ccc(C(=O)OCCCC[NH+]2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028650656 563073827 /nfs/dbraw/zinc/07/38/27/563073827.db2.gz OZFZSZURBQGDFI-UHFFFAOYSA-N 1 0 499.695 7.192 1 0 JKAFRO Clc1cccc(Cl)c1-c1ccc2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nnc2c1 ZINC000028702760 563074671 /nfs/dbraw/zinc/07/46/71/563074671.db2.gz JLUYEHQTDKZZBX-UHFFFAOYSA-N 1 0 480.399 6.217 1 0 JKAFRO COc1cccc(-c2ccc(NC(=O)NC3CC[NH+](CC4=CC[C@H]5C[C@@H]4C5(C)C)CC3)s2)c1 ZINC000028708687 563075823 /nfs/dbraw/zinc/07/58/23/563075823.db2.gz MXVSXIFEPKIFKU-REWPJTCUSA-N 1 0 465.663 6.002 1 0 JKAFRO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CC[NH+](CC2=CCCCCCC2)CC1 ZINC000028708496 563075858 /nfs/dbraw/zinc/07/58/58/563075858.db2.gz MFLVFGPYDWXLES-UHFFFAOYSA-N 1 0 477.493 6.591 1 0 JKAFRO Oc1ccc2c(ccc(-c3ccc(F)c(F)c3)c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000028710035 563076059 /nfs/dbraw/zinc/07/60/59/563076059.db2.gz RCVOOQFPOXBKPQ-UHFFFAOYSA-N 1 0 475.535 7.148 1 0 JKAFRO COc1ccc(Oc2cccc(C[NH+]3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c2)cc1 ZINC000028710578 563076209 /nfs/dbraw/zinc/07/62/09/563076209.db2.gz JGHHCQJAWMYFGE-UHFFFAOYSA-N 1 0 458.602 6.462 1 0 JKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCC(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000028710561 563076249 /nfs/dbraw/zinc/07/62/49/563076249.db2.gz HKIBDKKNDIBQNU-UHFFFAOYSA-N 1 0 456.586 6.280 1 0 JKAFRO COc1ccccc1N1CC[NH+](CCCCOc2ccc(-c3cn4ccc(C)cc4n3)cc2)CC1 ZINC000028711427 563076464 /nfs/dbraw/zinc/07/64/64/563076464.db2.gz PPTCFBYLQJKXAO-UHFFFAOYSA-N 1 0 470.617 5.300 1 0 JKAFRO NC(=[NH2+])Nc1ccc(N2c3ccccc3C(c3ccccc3)=NN(Cc3ccccc3)C2=O)cc1 ZINC000028711862 563076560 /nfs/dbraw/zinc/07/65/60/563076560.db2.gz NEGOAOPORKVFKK-UHFFFAOYSA-N 1 0 460.541 5.518 1 0 JKAFRO CC[N@@H+]1CCC[C@@H](Cn2c(=O)c3ccc(-c4ccc(Cl)cc4)cc3nc2-c2ccccc2OC)C1 ZINC000028711902 563076680 /nfs/dbraw/zinc/07/66/80/563076680.db2.gz MGGNRQPTQAHBTN-HXUWFJFHSA-N 1 0 488.031 6.124 1 0 JKAFRO CCCCN(C)c1ccc2nc(-c3ccccc3OC)n(C[C@H]3CCC[N@H+](CC)C3)c(=O)c2c1 ZINC000028712132 563076892 /nfs/dbraw/zinc/07/68/92/563076892.db2.gz MFHFVHMRADFDJS-NRFANRHFSA-N 1 0 462.638 5.040 1 0 JKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4ccccc4)n2C)CC3)no1 ZINC000028712465 563076973 /nfs/dbraw/zinc/07/69/73/563076973.db2.gz CHUTWLUGUSZHNG-UHFFFAOYSA-N 1 0 459.619 5.029 1 0 JKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4cccs4)n2C)CC3)no1 ZINC000028712470 563077038 /nfs/dbraw/zinc/07/70/38/563077038.db2.gz DSJQIICDRFEFMZ-UHFFFAOYSA-N 1 0 465.648 5.090 1 0 JKAFRO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4ccc(Cl)cc4)n2C)CC3)no1 ZINC000028712474 563077066 /nfs/dbraw/zinc/07/70/66/563077066.db2.gz LOGDXDWDCZTLOS-UHFFFAOYSA-N 1 0 494.064 5.682 1 0 JKAFRO CCCCN[C@@H](c1c(Cl)cccc1Cl)[C@@H]([NH2+]CCCC)c1c(Cl)cccc1Cl ZINC000028764697 563078543 /nfs/dbraw/zinc/07/85/43/563078543.db2.gz DXNSSGMGCRRGKI-VXKWHMMOSA-N 1 0 462.292 7.862 1 0 JKAFRO CCCCN[C@H](c1c(Cl)cccc1Cl)[C@H]([NH2+]CCCC)c1c(Cl)cccc1Cl ZINC000028764698 563078615 /nfs/dbraw/zinc/07/86/15/563078615.db2.gz DXNSSGMGCRRGKI-FGZHOGPDSA-N 1 0 462.292 7.862 1 0 JKAFRO [NH3+][C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 ZINC000028765181 563078623 /nfs/dbraw/zinc/07/86/23/563078623.db2.gz VSYVBQKQDBKTBD-NRFANRHFSA-N 1 0 453.426 6.400 1 0 JKAFRO CSc1sc(C(N)=[NH2+])cc1-c1nc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)cs1 ZINC000028771222 563079178 /nfs/dbraw/zinc/07/91/78/563079178.db2.gz XUDMPJNYKCWMDX-UHFFFAOYSA-N 1 0 468.604 5.936 1 0 JKAFRO C[NH+]1CCN(CCCOc2ccc(C3O[C@@H](c4ccc(F)cc4)[C@H](c4ccc(F)cc4)O3)cc2)CC1 ZINC000028816261 563079528 /nfs/dbraw/zinc/07/95/28/563079528.db2.gz AFRTYNAGIRJBPZ-NSOVKSMOSA-N 1 0 494.582 5.509 1 0 JKAFRO CC[NH+](CC)CCC[C@H](C)Nc1nc(NCc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000028817847 563080013 /nfs/dbraw/zinc/08/00/13/563080013.db2.gz IYAPHDTVUXJQJI-KRWDZBQOSA-N 1 0 460.453 6.471 1 0 JKAFRO C[C@@H]1C[NH+](Cc2ccc(CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)C[C@@H](C)O1 ZINC000028821661 563080722 /nfs/dbraw/zinc/08/07/22/563080722.db2.gz AWVOBGFKVYPFBL-RTBURBONSA-N 1 0 484.587 7.118 1 0 JKAFRO CC(=O)c1ccc(Nc2nc3ccc(C(=O)N(CC(C)C)CC(C)C)cc3n2CCC[NH3+])cc1 ZINC000028823759 563081742 /nfs/dbraw/zinc/08/17/42/563081742.db2.gz HFCDCALJUCRELK-UHFFFAOYSA-N 1 0 463.626 5.086 1 0 JKAFRO [NH3+]CCCN(C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1)[C@@H]1CCc2ccccc2C1 ZINC000028825865 563082245 /nfs/dbraw/zinc/08/22/45/563082245.db2.gz JBVJNUGJCAEAFO-RUZDIDTESA-N 1 0 453.586 5.095 1 0 JKAFRO [NH3+]CCCCCCCN(C/C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000028825970 563082252 /nfs/dbraw/zinc/08/22/52/563082252.db2.gz GPESEFZMRVAUGQ-QQTULTPQSA-N 1 0 466.069 6.508 1 0 JKAFRO [NH3+]C1CCC(CC2CCC(N(Cc3ccncc3)C(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000028826064 563082354 /nfs/dbraw/zinc/08/23/54/563082354.db2.gz KDIQFUMLEPFRNV-UHFFFAOYSA-N 1 0 486.704 6.381 1 0 JKAFRO Cc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC([NH3+])CC3)CC2)cc1 ZINC000028825997 563082365 /nfs/dbraw/zinc/08/23/65/563082365.db2.gz IGDGYIYWBRKOHT-UHFFFAOYSA-N 1 0 499.743 7.294 1 0 JKAFRO [NH3+]Cc1ccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000028826257 563082417 /nfs/dbraw/zinc/08/24/17/563082417.db2.gz LBRUFMGBRCJUOL-UHFFFAOYSA-N 1 0 461.609 6.332 1 0 JKAFRO [NH3+][C@H]1CCC[C@H](N(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000028826310 563082445 /nfs/dbraw/zinc/08/24/45/563082445.db2.gz NSMZJUKYUMIAJD-ZLWHGLCBSA-N 1 0 450.026 5.869 1 0 JKAFRO [NH3+]C[C@@H]1CCC[C@H](CN(C/C(Cl)=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000028826330 563082453 /nfs/dbraw/zinc/08/24/53/563082453.db2.gz VCADRGFZMDROFP-CSAGNUPMSA-N 1 0 478.080 6.364 1 0 JKAFRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1Cc2ccccc2[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000028827048 563082695 /nfs/dbraw/zinc/08/26/95/563082695.db2.gz FIZLAMUFFLKTOQ-YZXAJQSBSA-N 1 0 464.502 5.752 1 0 JKAFRO CC[C@H](C)[C@H]([NH3+])C(=O)N1Cc2ccccc2[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000028827046 563082777 /nfs/dbraw/zinc/08/27/77/563082777.db2.gz FIZLAMUFFLKTOQ-VFHOHQAYSA-N 1 0 464.502 5.752 1 0 JKAFRO CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(Oc4ccc(CN5CCOCC5)cn4)ccc32)cc1 ZINC000028827084 563082900 /nfs/dbraw/zinc/08/29/00/563082900.db2.gz OBQGUQBIJPHQCO-SANMLTNESA-N 1 0 461.631 5.005 1 0 JKAFRO C[NH+](C)C12C[C@H](OC(=O)/C=C/c3ccccc3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000028863205 563083444 /nfs/dbraw/zinc/08/34/44/563083444.db2.gz MFWDXDLANOGFRU-RLXVCMLQSA-N 1 0 451.610 6.293 1 0 JKAFRO CCN(CC)CC(=O)O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863256 563083454 /nfs/dbraw/zinc/08/34/54/563083454.db2.gz MYEKLRYVQDHWEU-MUJUVEFKSA-N 1 0 460.662 5.456 1 0 JKAFRO O=C(CN1CCCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863282 563083459 /nfs/dbraw/zinc/08/34/59/563083459.db2.gz CYGWCJHPTBKLCK-KVSLOUQESA-N 1 0 472.673 5.600 1 0 JKAFRO O=C(/C=C/c1ccccc1)NCCCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028869764 563083975 /nfs/dbraw/zinc/08/39/75/563083975.db2.gz SYEUZBHYJOPLBK-QRXFPATBSA-N 1 0 488.075 5.657 1 0 JKAFRO O=C(NCCCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000028869790 563084051 /nfs/dbraw/zinc/08/40/51/563084051.db2.gz BYOXBMSRXGFRQY-MHZLTWQESA-N 1 0 468.085 5.524 1 0 JKAFRO O=C(/C=C/c1ccccc1)NCCCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028869768 563084063 /nfs/dbraw/zinc/08/40/63/563084063.db2.gz SYEUZBHYJOPLBK-VUGWLOFNSA-N 1 0 488.075 5.657 1 0 JKAFRO Cc1cnccc1/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC1=CC3=CC[C@@H]([NH+](C)C)C[C@]34CC[C@@]12O4 ZINC000028872540 563084255 /nfs/dbraw/zinc/08/42/55/563084255.db2.gz DWEARRASECQSHP-YTQBCWRKSA-N 1 0 458.690 6.744 1 0 JKAFRO CC/C(=C(/c1ccc(OCC[NH3+])cc1)c1cccc(I)c1)c1ccccc1 ZINC000028871559 563084262 /nfs/dbraw/zinc/08/42/62/563084262.db2.gz RWCVJZVNLFJLLO-WCWDXBQESA-N 1 0 469.366 5.998 1 0 JKAFRO CCOCn1c2ccccc2n(C2CC[NH+](CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874663 563084331 /nfs/dbraw/zinc/08/43/31/563084331.db2.gz HYIYVZGBQLFOJY-HHHXNRCGSA-N 1 0 495.664 5.245 1 0 JKAFRO OC[C@@H]1CCC[N@H+](CCC[C@@H]2CCCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)C1 ZINC000028880951 563084733 /nfs/dbraw/zinc/08/47/33/563084733.db2.gz ISXKOYQKBFARFC-RTWAWAEBSA-N 1 0 496.051 5.873 1 0 JKAFRO OCC1([NH2+]CCC[C@H]2CCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)CCCC1 ZINC000028880940 563084736 /nfs/dbraw/zinc/08/47/36/563084736.db2.gz YQSWBGWFQXIBPI-IBGZPJMESA-N 1 0 482.024 5.674 1 0 JKAFRO O=C1NCN(c2ccccc2)C12CC[NH+](C(c1cccc(Cl)c1)c1cccc(Cl)c1)CC2 ZINC000028886196 563084897 /nfs/dbraw/zinc/08/48/97/563084897.db2.gz ZSGHKNFFVYSPKO-UHFFFAOYSA-N 1 0 466.412 5.511 1 0 JKAFRO Nc1nccn2c(C3CC(C[NH+]4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12 ZINC000028885883 563084909 /nfs/dbraw/zinc/08/49/09/563084909.db2.gz CQFVDHNTTRWVQD-UHFFFAOYSA-N 1 0 453.590 5.147 1 0 JKAFRO Cc1ccc2c(cc(Cl)cc2OCC[NH+]2CCC(Cc3cc4c(cc3F)OCC(=O)N4)CC2)n1 ZINC000028887284 563085040 /nfs/dbraw/zinc/08/50/40/563085040.db2.gz GRNSMKAYAMENDT-UHFFFAOYSA-N 1 0 483.971 5.000 1 0 JKAFRO COc1ccc2nccc([C@@H]3CN(CC4CC[NH+](Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1 ZINC000028892375 563085177 /nfs/dbraw/zinc/08/51/77/563085177.db2.gz RRMYHKYZMNDGOW-MHZLTWQESA-N 1 0 470.573 5.130 1 0 JKAFRO COc1ccc2nccc([C@H]3CN(C4CC[NH+](Cc5cccc(Cl)c5)CC4)C(=O)O3)c2c1 ZINC000028893557 563085394 /nfs/dbraw/zinc/08/53/94/563085394.db2.gz ZBEZRCJKLIAIJX-XMMPIXPASA-N 1 0 451.954 5.055 1 0 JKAFRO O=C1NC(=Cc2ccc(C[NH+]3CCCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899242 563085917 /nfs/dbraw/zinc/08/59/17/563085917.db2.gz KEDWKSVZLDLZLH-XHPQRKPJSA-N 1 0 453.542 5.562 1 0 JKAFRO O=C1NC(=Cc2ccc(C[NH+]3CCCCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899252 563085958 /nfs/dbraw/zinc/08/59/58/563085958.db2.gz NKIPJOUJGLUDSA-OOAXWGSJSA-N 1 0 467.569 5.952 1 0 JKAFRO CCC[N@H+](Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)Cc1ccccc1 ZINC000028903689 563086458 /nfs/dbraw/zinc/08/64/58/563086458.db2.gz MXJHLNUMHLEEQE-UHFFFAOYSA-N 1 0 472.036 6.664 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CC[C@H](CCc2ccccc2)C1 ZINC000028903814 563086466 /nfs/dbraw/zinc/08/64/66/563086466.db2.gz PBEQQVOUDMAYFD-DEOSSOPVSA-N 1 0 498.074 6.707 1 0 JKAFRO CCC[N@H+](CCC1CC1)Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903728 563086509 /nfs/dbraw/zinc/08/65/09/563086509.db2.gz GNQYBWZMHUTKBA-UHFFFAOYSA-N 1 0 450.030 6.264 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+](C)CCc1cccnc1 ZINC000028903846 563086536 /nfs/dbraw/zinc/08/65/36/563086536.db2.gz UWAPMULOEFTYNM-UHFFFAOYSA-N 1 0 458.997 5.321 1 0 JKAFRO CCC[N@@H+](Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)CC1CCC1 ZINC000028903684 563086575 /nfs/dbraw/zinc/08/65/75/563086575.db2.gz BZGUNPFVJIKLEZ-UHFFFAOYSA-N 1 0 450.030 6.264 1 0 JKAFRO COc1ccc2c(C)cc(N[C@H]3CC[C@H]([NH2+]Cc4cn(C)c5ccc(OC(F)F)cc45)C3)nc2c1 ZINC000028951145 563087089 /nfs/dbraw/zinc/08/70/89/563087089.db2.gz CGWZQNJZRFVACE-OALUTQOASA-N 1 0 480.559 5.768 1 0 JKAFRO CC(C)[NH+]1CCC(COC[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2Cl)CC1 ZINC000028957719 563088533 /nfs/dbraw/zinc/08/85/33/563088533.db2.gz PMRPVCSQDMLWLF-VWLOTQADSA-N 1 0 488.459 6.083 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@@H]3CC[C@@H](NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 ZINC000028957845 563088572 /nfs/dbraw/zinc/08/85/72/563088572.db2.gz SRWUYSGGMLUKLS-XLGJJEBGSA-N 1 0 487.471 6.180 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 ZINC000028957870 563088573 /nfs/dbraw/zinc/08/85/73/563088573.db2.gz VGGAERSVYZEQQX-SSZUCMNVSA-N 1 0 454.561 5.151 1 0 JKAFRO O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC000028957834 563088585 /nfs/dbraw/zinc/08/85/85/563088585.db2.gz GTUPCEXXRKONRA-RUDMXATFSA-N 1 0 490.997 6.490 1 0 JKAFRO COc1ccc(/C=C/C(=O)N2CCC(C[NH+]3CCC(c4ccc(Cl)cc4)CC3)CC2)cc1OC ZINC000028957831 563088587 /nfs/dbraw/zinc/08/85/87/563088587.db2.gz YGFCSUMVPABUBN-ONNFQVAWSA-N 1 0 483.052 5.489 1 0 JKAFRO NC(=O)c1ccc2[nH]c(-c3ccc(OC[C@H]4CCC[N@H+](Cc5ccc(Cl)cc5)C4)cc3)nc2c1 ZINC000028960586 563088806 /nfs/dbraw/zinc/08/88/06/563088806.db2.gz KTELPIYYKPZNJT-IBGZPJMESA-N 1 0 474.992 5.273 1 0 JKAFRO NC(=O)c1ccc2[nH]c(-c3ccc(OC[C@@H]4CCC[N@H+](Cc5ccc(Cl)cc5)C4)cc3)nc2c1 ZINC000028960581 563088868 /nfs/dbraw/zinc/08/88/68/563088868.db2.gz KTELPIYYKPZNJT-LJQANCHMSA-N 1 0 474.992 5.273 1 0 JKAFRO Cc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(C[NH+](C)C)ccn43)n2)c1 ZINC000028963692 563089189 /nfs/dbraw/zinc/08/91/89/563089189.db2.gz RHZVNCMZUGTVMW-UHFFFAOYSA-N 1 0 466.564 5.580 1 0 JKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2ccc(Cl)cc2)n1 ZINC000028963701 563089230 /nfs/dbraw/zinc/08/92/30/563089230.db2.gz ODTFBYHPXOCKTI-UHFFFAOYSA-N 1 0 486.982 5.925 1 0 JKAFRO O=C(Nc1nc2ccc(C(=O)N3CC([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CCCCC1 ZINC000028967521 563089466 /nfs/dbraw/zinc/08/94/66/563089466.db2.gz FQGYGOVHYFQMBI-UHFFFAOYSA-N 1 0 498.652 5.583 1 0 JKAFRO CC(C)(C)OC(=O)N=c1[nH]c2ccc(C(=O)NCC[NH2+]Cc3ccc4ccccc4c3)cc2s1 ZINC000028967613 563089484 /nfs/dbraw/zinc/08/94/84/563089484.db2.gz QLOJZEYLYJIJQM-UHFFFAOYSA-N 1 0 476.602 5.316 1 0 JKAFRO O=C(Nc1nc2ccc(NC(=O)[C@H]3CCC[C@@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CC1 ZINC000028967789 563089586 /nfs/dbraw/zinc/08/95/86/563089586.db2.gz JGTULUAPQFSBCZ-XZOQPEGZSA-N 1 0 498.652 6.085 1 0 JKAFRO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[N@H+](C)CCc4cn[nH]c4)cc3)nc2n1 ZINC000028980031 563090492 /nfs/dbraw/zinc/09/04/92/563090492.db2.gz GQEPHZRQVGFQLK-UHFFFAOYSA-N 1 0 466.614 5.478 1 0 JKAFRO CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCC[NH+]2CCCCC2)c2ccccc21 ZINC000029037832 563090588 /nfs/dbraw/zinc/09/05/88/563090588.db2.gz MSWZGESSMICRIN-UHFFFAOYSA-N 1 0 473.705 7.318 1 0 JKAFRO O=C(N[C@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21)c1ccccc1 ZINC000029038613 563090761 /nfs/dbraw/zinc/09/07/61/563090761.db2.gz AXDZGPVPBMNCMT-SANMLTNESA-N 1 0 482.653 5.078 1 0 JKAFRO Cc1ccc(C(=O)N[C@@H]2CCc3ccc(CC[NH+]4CCN(c5nsc6ccccc65)CC4)cc32)cc1 ZINC000029038617 563090792 /nfs/dbraw/zinc/09/07/92/563090792.db2.gz ZAAQJDPTTZJUDL-HHHXNRCGSA-N 1 0 496.680 5.387 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(Cl)ccc1N1CCN(C(=O)[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039364 563091117 /nfs/dbraw/zinc/09/11/17/563091117.db2.gz OVNHRYAPFAJXCA-UMXIMWEHSA-N 1 0 490.475 5.466 1 0 JKAFRO CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000029042416 563091816 /nfs/dbraw/zinc/09/18/16/563091816.db2.gz LUNRJOHCWGGILG-RPWUZVMVSA-N 1 0 459.556 5.012 1 0 JKAFRO CC(=O)c1cccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)NC3=O)c1 ZINC000029049187 563092767 /nfs/dbraw/zinc/09/27/67/563092767.db2.gz ANUDBVBLMPNUFI-VEILYXNESA-N 1 0 494.595 5.342 1 0 JKAFRO O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3ccc(Cl)cc3)ccc21 ZINC000029048873 563092806 /nfs/dbraw/zinc/09/28/06/563092806.db2.gz XVLYTNUAFSGBLK-ONUIUJJFSA-N 1 0 487.003 5.793 1 0 JKAFRO CC[NH+](CC)Cc1ccc(NC=C2c3cc(Nc4ccc(C)cc4)ccc3C(=O)NC2=O)cc1 ZINC000029050357 563093012 /nfs/dbraw/zinc/09/30/12/563093012.db2.gz KOLQCOSRJKVBAQ-ONUIUJJFSA-N 1 0 454.574 5.303 1 0 JKAFRO CC[C@]1(CCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2c1cc(F)cc2Cl ZINC000029052547 563093083 /nfs/dbraw/zinc/09/30/83/563093083.db2.gz KNEUZAWRNQLRCJ-XMMPIXPASA-N 1 0 464.412 5.725 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccc4ncccc4c3)cc1)CC2 ZINC000029062543 563093988 /nfs/dbraw/zinc/09/39/88/563093988.db2.gz CQDVKUSRUIHSQR-UHFFFAOYSA-N 1 0 467.569 5.105 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cc4ccccc4cn3)cc1)CC2 ZINC000029062918 563094059 /nfs/dbraw/zinc/09/40/59/563094059.db2.gz RJSOUZKIJXBVSO-UHFFFAOYSA-N 1 0 467.569 5.105 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccc(Br)cc3)cc1)CC2 ZINC000029063721 563094077 /nfs/dbraw/zinc/09/40/77/563094077.db2.gz ITBQIBAPDGJXGN-UHFFFAOYSA-N 1 0 495.417 5.319 1 0 JKAFRO O=C(NC1CC[NH+](Cc2ccc3cc(F)ccc3c2)CC1)c1cccc(Oc2ccccc2)c1 ZINC000029123119 563094165 /nfs/dbraw/zinc/09/41/65/563094165.db2.gz PXGIQYNLHCMNIF-UHFFFAOYSA-N 1 0 454.545 6.166 1 0 JKAFRO O=C1NC(=O)c2c1c1c(cc2-c2ccccc2Cl)[nH]c2cc(OCCC[NH+]3CCCC3)c(O)cc21 ZINC000029127418 563095669 /nfs/dbraw/zinc/09/56/69/563095669.db2.gz ZBZAZHRMQSACPS-UHFFFAOYSA-N 1 0 489.959 5.095 1 0 JKAFRO Fc1ccc(C[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CC[N@@H+](Cc2cccnc2)C3)cc1 ZINC000029128069 563096031 /nfs/dbraw/zinc/09/60/31/563096031.db2.gz NNNYOHDJEYLLKD-GDLZYMKVSA-N 1 0 468.551 5.620 1 0 JKAFRO Fc1ccc(C[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CC[N@@H+](Cc2ccncc2)C3)cc1 ZINC000029128015 563096096 /nfs/dbraw/zinc/09/60/96/563096096.db2.gz SKESTLBPFVXIPV-GDLZYMKVSA-N 1 0 468.551 5.620 1 0 JKAFRO COc1ccc([C@H](c2cccs2)c2ccc(OC[C@@H](O)C[NH2+]C3CCCCC3)cc2)cc1 ZINC000029131565 563097155 /nfs/dbraw/zinc/09/71/55/563097155.db2.gz VIBDOHKMWLBJEP-HOFKKMOUSA-N 1 0 451.632 5.599 1 0 JKAFRO COc1cc(-c2nn(-c3ccccc3)[n+](-c3cccc(Cl)c3)n2)ccc1OCc1ccccc1 ZINC000029131421 563097185 /nfs/dbraw/zinc/09/71/85/563097185.db2.gz RJQNMQPEVIGBMB-UHFFFAOYSA-N 1 0 469.952 5.452 1 0 JKAFRO O=C(c1ccc(Cl)cc1)N1CCC2(CC1)CC[NH+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000029133518 563097563 /nfs/dbraw/zinc/09/75/63/563097563.db2.gz RGZNEXHZUKHBNS-UHFFFAOYSA-N 1 0 475.032 6.651 1 0 JKAFRO Clc1ccc2c(c1)nccc2[C@](c1ccccc1)(c1ccc(C[NH+]2CCCC2)cc1)n1ccnc1 ZINC000029135415 563098087 /nfs/dbraw/zinc/09/80/87/563098087.db2.gz MADOIFCQUKLARP-PMERELPUSA-N 1 0 479.027 6.521 1 0 JKAFRO COc1c(C)c(C[N@H+](CCNc2ccnc3cc(Cl)ccc32)CC(C)C)c(OC)c2ccccc21 ZINC000029135289 563098111 /nfs/dbraw/zinc/09/81/11/563098111.db2.gz SAHXQUQICXGKKL-UHFFFAOYSA-N 1 0 492.063 6.937 1 0 JKAFRO CC[NH+](CC)C1CCC(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccc(Cl)cc32)CC1 ZINC000029206692 563098387 /nfs/dbraw/zinc/09/83/87/563098387.db2.gz HQHGDTXLMNIPDG-UHFFFAOYSA-N 1 0 492.882 7.399 1 0 JKAFRO c1ccc(COCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)nc1 ZINC000029207252 563098413 /nfs/dbraw/zinc/09/84/13/563098413.db2.gz LJTFACNUGJTSNY-JSOSNVBQSA-N 1 0 482.624 5.883 1 0 JKAFRO c1ccc(COCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1 ZINC000029208863 563098441 /nfs/dbraw/zinc/09/84/41/563098441.db2.gz BWJJQCPXGJBNET-ZWXJPIIXSA-N 1 0 481.636 6.236 1 0 JKAFRO O=C(OCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1 ZINC000029208005 563098458 /nfs/dbraw/zinc/09/84/58/563098458.db2.gz LBQROOZVTAQKBB-IHLOFXLRSA-N 1 0 481.592 5.738 1 0 JKAFRO c1ccc(COCCCOc2ncc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cn2)cc1 ZINC000029210323 563098482 /nfs/dbraw/zinc/09/84/82/563098482.db2.gz BIGIMPXZPSYVCM-WDYNHAJCSA-N 1 0 483.612 5.278 1 0 JKAFRO CCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(-c2ccc(C)cc2)c(CC)[nH+]1 ZINC000029222270 563098860 /nfs/dbraw/zinc/09/88/60/563098860.db2.gz YPSKTTRAIJOSCQ-UHFFFAOYSA-N 1 0 474.612 6.641 1 0 JKAFRO Cc1ccc(/C=C2\CSC[C@H]3C2=NN(CCC[NH+]2CCN(C)CC2)[C@H]3c2ccc(C)cc2)cc1 ZINC000029308605 563099766 /nfs/dbraw/zinc/09/97/66/563099766.db2.gz YWGAQRBVSIMYTD-MMNVKDQRSA-N 1 0 474.718 5.100 1 0 JKAFRO COC(=O)C1(c2ccccc2)CC[NH+](CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 ZINC000029344345 563101251 /nfs/dbraw/zinc/10/12/51/563101251.db2.gz BGURRFIDCHOENU-UHFFFAOYSA-N 1 0 498.667 5.148 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3cnc4ccccc4c3)C[C@H]2Cc2ccccc2)c1 ZINC000029390341 563101593 /nfs/dbraw/zinc/10/15/93/563101593.db2.gz UISKGTZVONGFBF-URLMMPGGSA-N 1 0 463.625 5.857 1 0 JKAFRO COc1ccc([C@@]2(c3ccc(OCC[NH+](C)C)cc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000029404731 563102848 /nfs/dbraw/zinc/10/28/48/563102848.db2.gz LWYSPLVNMSFSTO-JWQCQUIFSA-N 1 0 456.413 5.893 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(C)C)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029412058 563103250 /nfs/dbraw/zinc/10/32/50/563103250.db2.gz KIHQLDLWIZBSCP-UHFFFAOYSA-N 1 0 468.645 5.704 1 0 JKAFRO Cc1cccc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)NC4CC4)cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000029462196 563103844 /nfs/dbraw/zinc/10/38/44/563103844.db2.gz MNHPUMYSSDXMMN-SFHVURJKSA-N 1 0 495.023 5.764 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4CCCC4)cc3c2CC[NH2+]CCCCc2ccncc2)c1 ZINC000029417170 563103876 /nfs/dbraw/zinc/10/38/76/563103876.db2.gz QSIVPYJPCYHIOI-UHFFFAOYSA-N 1 0 494.683 6.238 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(C)C)cc3c2CC[NH2+]CCCCc2cccnc2)c1 ZINC000029464433 563103972 /nfs/dbraw/zinc/10/39/72/563103972.db2.gz SFGBLPFLJXDFHC-UHFFFAOYSA-N 1 0 468.645 5.704 1 0 JKAFRO CCN(CC)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccncc3)c2c1 ZINC000029465462 563104170 /nfs/dbraw/zinc/10/41/70/563104170.db2.gz VOXWQNPTPTZQPX-UHFFFAOYSA-N 1 0 496.699 6.484 1 0 JKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(COc3cccc(C(F)(F)F)c3)c2c1OC ZINC000029471653 563104672 /nfs/dbraw/zinc/10/46/72/563104672.db2.gz WCCKAUPZKYTFNU-HNNXBMFYSA-N 1 0 463.500 5.389 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029474599 563104849 /nfs/dbraw/zinc/10/48/49/563104849.db2.gz OWUZRSKHAOSPIO-VQHVLOKHSA-N 1 0 456.417 5.874 1 0 JKAFRO O=C1NCN(c2ccc(F)cc2)C12CC[NH+](CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029476273 563104945 /nfs/dbraw/zinc/10/49/45/563104945.db2.gz DXMDPBQTIGCCDX-UHFFFAOYSA-N 1 0 494.561 5.061 1 0 JKAFRO O=C1NCN(c2cccc(F)c2)C12CC[NH+](CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029479754 563105184 /nfs/dbraw/zinc/10/51/84/563105184.db2.gz MPIACKXXQACORS-UHFFFAOYSA-N 1 0 494.561 5.061 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029483714 563105420 /nfs/dbraw/zinc/10/54/20/563105420.db2.gz ZTTLHOLWXUEBQS-PKNBQFBNSA-N 1 0 484.471 6.654 1 0 JKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000029484631 563105491 /nfs/dbraw/zinc/10/54/91/563105491.db2.gz GROFTRWCPJCEQB-AREMUKBSSA-N 1 0 497.605 7.605 1 0 JKAFRO O=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccc(-c2ccccc2)cc1 ZINC000029483740 563105506 /nfs/dbraw/zinc/10/55/06/563105506.db2.gz ICGRBUBHSBWCDK-UHFFFAOYSA-N 1 0 465.641 6.615 1 0 JKAFRO O=C(NCCCCCC[N@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000029554020 563106436 /nfs/dbraw/zinc/10/64/36/563106436.db2.gz NCNZEUCJDCGDDP-XRKRLSELSA-N 1 0 489.610 6.265 1 0 JKAFRO CC[C@@H](O)C1CC[NH+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029556674 563106637 /nfs/dbraw/zinc/10/66/37/563106637.db2.gz KRMCSHVGYGBUFB-RCZVLFRGSA-N 1 0 477.476 5.722 1 0 JKAFRO CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1Cc2cc3ccccc3cc2C[C@H]1[NH+]1CCCC1 ZINC000029558739 563106848 /nfs/dbraw/zinc/10/68/48/563106848.db2.gz QCOUBEHUFLAGAM-JWQCQUIFSA-N 1 0 453.413 5.850 1 0 JKAFRO C[C@H](O)C1CC[NH+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029560882 563107029 /nfs/dbraw/zinc/10/70/29/563107029.db2.gz PEWKICBBWGQLAD-AVRDEDQJSA-N 1 0 463.449 5.332 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(C(C)(C)O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000029562494 563107165 /nfs/dbraw/zinc/10/71/65/563107165.db2.gz DAJSDTWHSJMFGK-OAQYLSRUSA-N 1 0 477.476 5.722 1 0 JKAFRO FC(F)(F)c1cccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000029562586 563107167 /nfs/dbraw/zinc/10/71/67/563107167.db2.gz YYWMZFBABQCNFH-UHFFFAOYSA-N 1 0 478.562 6.222 1 0 JKAFRO CCC[NH2+]C[C@@H](COc1ccc2c(=O)cc(-c3ccccc3)oc2c1)C(=O)Oc1ccccc1 ZINC000029562321 563107184 /nfs/dbraw/zinc/10/71/84/563107184.db2.gz HYVFOPPKXBXDJR-NRFANRHFSA-N 1 0 457.526 5.060 1 0 JKAFRO COc1ccccc1Cn1c2ccccc2nc1N(C)C1CC[NH+](CCc2ccccc2)CC1 ZINC000029562375 563107203 /nfs/dbraw/zinc/10/72/03/563107203.db2.gz FHSBILNFCOPUHQ-UHFFFAOYSA-N 1 0 454.618 5.237 1 0 JKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCc3cccc4ccccc43)CC2)cc1 ZINC000029564462 563107290 /nfs/dbraw/zinc/10/72/90/563107290.db2.gz ANIOFEOYGVZLHE-UHFFFAOYSA-N 1 0 478.615 6.496 1 0 JKAFRO O=c1[nH]c2ccccc2n1CCC[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029567203 563107391 /nfs/dbraw/zinc/10/73/91/563107391.db2.gz ATPMJPODSUYNQX-UHFFFAOYSA-N 1 0 498.606 5.246 1 0 JKAFRO c1ccc(Cn2c3ccccc3nc2NC2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000029566023 563107484 /nfs/dbraw/zinc/10/74/84/563107484.db2.gz ACTCKCQNTSVYTR-UHFFFAOYSA-N 1 0 472.636 6.751 1 0 JKAFRO COc1ccccc1CC[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029568248 563107542 /nfs/dbraw/zinc/10/75/42/563107542.db2.gz BDFPKQZWHRXIKO-UHFFFAOYSA-N 1 0 458.581 5.351 1 0 JKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCCOc3ccccc3)CC2)cc1 ZINC000029569081 563107630 /nfs/dbraw/zinc/10/76/30/563107630.db2.gz XYWVMNRSKTZJCS-UHFFFAOYSA-N 1 0 458.581 5.569 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2c(O)cccc2C1 ZINC000029569213 563107648 /nfs/dbraw/zinc/10/76/48/563107648.db2.gz RISZOHTXHUANFZ-HHHXNRCGSA-N 1 0 456.630 5.839 1 0 JKAFRO COc1cccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1 ZINC000029568878 563107651 /nfs/dbraw/zinc/10/76/51/563107651.db2.gz UNPPCNQQKHBGQZ-UHFFFAOYSA-N 1 0 458.581 5.351 1 0 JKAFRO C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1C(=O)N5C)[NH+](C)C ZINC000031561860 563108370 /nfs/dbraw/zinc/10/83/70/563108370.db2.gz SLGWGPQWJRVPAD-PZOAWPBASA-N 1 0 462.722 6.577 1 0 JKAFRO CC[N@@H+]1CC[C@@](O)(c2ccc(Oc3ccccc3)cc2)[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000031870927 563108737 /nfs/dbraw/zinc/10/87/37/563108737.db2.gz VZAAVPMTYOEAIJ-XLJNKUFUSA-N 1 0 493.603 6.684 1 0 JKAFRO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)CCC(F)(F)F)c1ccccc1 ZINC000032024920 563109321 /nfs/dbraw/zinc/10/93/21/563109321.db2.gz OSLBPWGTESVAOT-KORDQABASA-N 1 0 491.602 5.468 1 0 JKAFRO C[N@@H+]1CCCC[C@@H]1CNc1nc(-c2ccc(Cl)c(Cl)c2)nc(C(Cl)(Cl)Cl)n1 ZINC000032251656 563109695 /nfs/dbraw/zinc/10/96/95/563109695.db2.gz HKEPPBSAECZRMA-LLVKDONJSA-N 1 0 469.631 5.568 1 0 JKAFRO COc1ccc(CCn2c3ccccc3nc2NC2CC[NH+](CCc3ccc(OC)cc3)CC2)cc1 ZINC000033335530 563110412 /nfs/dbraw/zinc/11/04/12/563110412.db2.gz RCPXWTCRAUXWDE-UHFFFAOYSA-N 1 0 484.644 5.415 1 0 JKAFRO CC[NH+](CC)CCOc1ccc(C2=C(c3ccccc3)C(C)(C)Oc3cc(OC)ccc32)cc1 ZINC000033827352 563110984 /nfs/dbraw/zinc/11/09/84/563110984.db2.gz HLHMERSKZQBMBU-UHFFFAOYSA-N 1 0 457.614 6.546 1 0 JKAFRO CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C(=O)NCC[NH+](C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000034172062 563112332 /nfs/dbraw/zinc/11/23/32/563112332.db2.gz PCGYYIHRQWNZFL-FASGPJNGSA-N 1 0 484.813 7.322 1 0 JKAFRO c1c(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000034243198 563112630 /nfs/dbraw/zinc/11/26/30/563112630.db2.gz PCEQBWZVPPASSA-UHFFFAOYSA-N 1 0 450.542 5.358 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)c1-c1ccc(O)cc1 ZINC000034246730 563112727 /nfs/dbraw/zinc/11/27/27/563112727.db2.gz QFOMEAKDJGTPOK-OAQYLSRUSA-N 1 0 470.613 6.329 1 0 JKAFRO CC(C)n1cnc2c1nc(N[C@H]1CCC[C@H]([NH3+])C1)nc2NCc1ccc(-c2ccccc2)cc1 ZINC000034356261 563113220 /nfs/dbraw/zinc/11/32/20/563113220.db2.gz SOMXUWPRORRTQU-GOTSBHOMSA-N 1 0 455.610 5.368 1 0 JKAFRO CC[NH+](CC)CCCCNc1cc(-c2nc(C(C)(C)C)[nH]c2-c2ccc3cc(OC)ccc3c2)ccn1 ZINC000034359558 563113450 /nfs/dbraw/zinc/11/34/50/563113450.db2.gz RAHUAXQUGFXNFM-UHFFFAOYSA-N 1 0 499.703 7.132 1 0 JKAFRO Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(NS(=O)(=O)C(C)C)c3)CC2)n1 ZINC000034379109 563113485 /nfs/dbraw/zinc/11/34/85/563113485.db2.gz XTIIULLLRGBXKD-UHFFFAOYSA-N 1 0 481.662 5.027 1 0 JKAFRO CC(C)(C)c1cc(/C=C/C=C2C=C(C(C)(C)C)SC(C(C)(C)C)=C2)cc(C(C)(C)C)[s+]1 ZINC000034530999 563113814 /nfs/dbraw/zinc/11/38/14/563113814.db2.gz URHGXTPSJOBWCX-UHFFFAOYSA-N 1 0 455.797 10.171 1 0 JKAFRO Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C[N@@H+](CCO)C(C)C)cc3)nc12 ZINC000034607893 563114067 /nfs/dbraw/zinc/11/40/67/563114067.db2.gz YCCCUIAFTNOZSU-UHFFFAOYSA-N 1 0 477.996 5.306 1 0 JKAFRO CN(Cc1nc2ccccc2n1C[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CCCc2cccnc21 ZINC000034662888 563114505 /nfs/dbraw/zinc/11/45/05/563114505.db2.gz AZXYEYLEAPSWTK-CUBQBAPOSA-N 1 0 480.660 5.248 1 0 JKAFRO FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CC[C@@H]([NH+]3CCCCC3)C2)cc(C(F)(F)F)c1 ZINC000034662994 563114529 /nfs/dbraw/zinc/11/45/29/563114529.db2.gz SVNARMJNQZDVGN-RPWUZVMVSA-N 1 0 485.512 7.217 1 0 JKAFRO Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Oc3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000034753273 563114986 /nfs/dbraw/zinc/11/49/86/563114986.db2.gz WHARNYOKNQYQGR-UHFFFAOYSA-N 1 0 491.570 6.530 1 0 JKAFRO CCOc1cc([C@H](Nc2ccc3c(cc[nH+]c3N)c2)C(=O)N(C)Cc2ccccc2)ccc1OC(C)C ZINC000034787735 563115059 /nfs/dbraw/zinc/11/50/59/563115059.db2.gz LQQXFGZYYQHUNT-NDEPHWFRSA-N 1 0 498.627 5.815 1 0 JKAFRO O=C1N[C@@](c2ccccc2)(C2CCCCC2)CN1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000034802125 563115941 /nfs/dbraw/zinc/11/59/41/563115941.db2.gz ZEUMKUUXZQOHBM-MHZLTWQESA-N 1 0 452.042 5.805 1 0 JKAFRO O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000034802221 563115950 /nfs/dbraw/zinc/11/59/50/563115950.db2.gz HWCBLDPYKRZMKJ-UHFFFAOYSA-N 1 0 465.519 5.037 1 0 JKAFRO O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000034802338 563115956 /nfs/dbraw/zinc/11/59/56/563115956.db2.gz WXXBJLZSTINTDE-UHFFFAOYSA-N 1 0 495.545 5.519 1 0 JKAFRO O=C1N[C@](c2ccccc2)(C2CCCCC2)CN1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000034802126 563115959 /nfs/dbraw/zinc/11/59/59/563115959.db2.gz ZEUMKUUXZQOHBM-HHHXNRCGSA-N 1 0 452.042 5.805 1 0 JKAFRO CCCCCc1ccc(C(=O)N(CCCc2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000034802875 563116223 /nfs/dbraw/zinc/11/62/23/563116223.db2.gz DEJADQVQLRRJFH-UHFFFAOYSA-N 1 0 482.712 7.159 1 0 JKAFRO CC[NH+](CC)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804162 563116454 /nfs/dbraw/zinc/11/64/54/563116454.db2.gz XFBHKDFRWTZZIS-HXUWFJFHSA-N 1 0 475.477 5.013 1 0 JKAFRO O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CC[NH+](Cc2ccc(-c3cncnc3)cc2)CC1 ZINC000034804892 563116522 /nfs/dbraw/zinc/11/65/22/563116522.db2.gz BJTKGWRIIPEVPM-PMERELPUSA-N 1 0 495.671 5.920 1 0 JKAFRO NC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000034951367 563117682 /nfs/dbraw/zinc/11/76/82/563117682.db2.gz XXHBZSGXGMJSEC-NNJHRLFQSA-N 1 0 465.424 6.133 1 0 JKAFRO COc1cc(OC)c([C@H](CC[N@@H+]2CCC[C@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)ccc12 ZINC000034961435 563117712 /nfs/dbraw/zinc/11/77/12/563117712.db2.gz DWPABXSZAMPFCK-SIKLNZKXSA-N 1 0 464.606 5.130 3 0 JKAFRO CNc1ncc2cc(-c3cc(C(=O)Nc4ccc(OC5CC[NH+](C)CC5)cc4)ccc3C)ccc2n1 ZINC000035049807 563118444 /nfs/dbraw/zinc/11/84/44/563118444.db2.gz IEIWHASYQUBSLR-UHFFFAOYSA-N 1 0 481.600 5.372 1 0 JKAFRO CC(C)(C)[NH2+]Cc1c(Nc2ccnc3cc(Cl)ccc32)cc(O)cc1-c1ccc(Cl)cc1 ZINC000035259253 563119526 /nfs/dbraw/zinc/11/95/26/563119526.db2.gz BGIOQBTVXZFHTF-UHFFFAOYSA-N 1 0 466.412 7.546 1 0 JKAFRO COc1cccc([C@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 ZINC000035308517 563119947 /nfs/dbraw/zinc/11/99/47/563119947.db2.gz BPTDWRQYMMIHHK-UOKFIYJESA-N 1 0 454.492 5.911 1 0 JKAFRO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CC[NH2+]CC4)cc3)nc12 ZINC000035802624 563120375 /nfs/dbraw/zinc/12/03/75/563120375.db2.gz GRQQZOBOJQEZJB-UHFFFAOYSA-N 1 0 493.398 5.096 1 0 JKAFRO FC(F)(F)c1cccc(N2CC[NH+](CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1 ZINC000035874195 563121040 /nfs/dbraw/zinc/12/10/40/563121040.db2.gz OLHTYSHHUSHAPW-UHFFFAOYSA-N 1 0 454.540 5.782 1 0 JKAFRO CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CC[NH+](CCCCCCc1ccccc1)CC2 ZINC000035975200 563121659 /nfs/dbraw/zinc/12/16/59/563121659.db2.gz OQSIIUVZTJSDNB-HHHXNRCGSA-N 1 0 481.725 5.332 1 0 JKAFRO [NH3+][C@@H](Cc1ccccc1)CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000036093123 563122228 /nfs/dbraw/zinc/12/22/28/563122228.db2.gz YGBCDXIPWNLLEI-NDEPHWFRSA-N 1 0 464.600 5.743 1 0 JKAFRO COC(=O)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000036107787 563122258 /nfs/dbraw/zinc/12/22/58/563122258.db2.gz DNJLISQLMWIPEU-UHFFFAOYSA-N 1 0 495.566 5.168 1 0 JKAFRO CCCCCn1c(=O)nc(NC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc21 ZINC000036126654 563122518 /nfs/dbraw/zinc/12/25/18/563122518.db2.gz VMFNUQHBZCMQRZ-UHFFFAOYSA-N 1 0 483.012 5.045 1 0 JKAFRO OC[C@H]1CCC[N@H+](CCC[C@H]2CCCc3ccc(OCc4ccc(-c5ccccc5F)cn4)cc32)C1 ZINC000036126808 563122621 /nfs/dbraw/zinc/12/26/21/563122621.db2.gz WTXXDQPNIWXLNL-BJKOFHAPSA-N 1 0 488.647 6.371 1 0 JKAFRO Cc1cccc(Nc2cccc(C[N@@H+](Cc3ccccc3C(F)(F)F)CC3CCCCC3)n2)c1C ZINC000036159668 563122954 /nfs/dbraw/zinc/12/29/54/563122954.db2.gz CKGSWJQEGHYAHM-UHFFFAOYSA-N 1 0 481.606 8.043 1 0 JKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(OCc2ccccc2)n1 ZINC000036161121 563123038 /nfs/dbraw/zinc/12/30/38/563123038.db2.gz ZDFQNQKEWDQPKE-UHFFFAOYSA-N 1 0 453.521 5.238 1 0 JKAFRO C[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[NH+](C)C)ccn32)n1)c1ccccc1 ZINC000036161113 563123047 /nfs/dbraw/zinc/12/30/47/563123047.db2.gz VPZSMAJTUGVZFW-LJQANCHMSA-N 1 0 466.564 5.832 1 0 JKAFRO C[C@H](c1ccccc1OCCC[NH+]1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000036175787 563123162 /nfs/dbraw/zinc/12/31/62/563123162.db2.gz ORZWARALBUUIKG-HSZRJFAPSA-N 1 0 464.631 5.508 1 0 JKAFRO FC(F)(F)c1ccc2c(c1)[nH]nc2-c1nc2cc(N3CCC([NH+]4CCCCC4)CC3)ccc2[nH]1 ZINC000036176918 563123329 /nfs/dbraw/zinc/12/33/29/563123329.db2.gz MZEOWSVWCPCLAR-UHFFFAOYSA-N 1 0 468.527 5.580 1 0 JKAFRO C[NH+](C)CCc1ccc(Nc2ncc3c(n2)N2CCC(=O)N2C(c2c(Cl)cccc2Cl)=C3)cc1 ZINC000036187654 563123945 /nfs/dbraw/zinc/12/39/45/563123945.db2.gz QDKWSHGBLDBHFY-UHFFFAOYSA-N 1 0 495.414 5.097 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000036285598 563125261 /nfs/dbraw/zinc/12/52/61/563125261.db2.gz TUVAAUULBWCGLQ-MBSDFSHPSA-N 1 0 496.017 5.932 1 0 JKAFRO COc1cccc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000036285711 563125290 /nfs/dbraw/zinc/12/52/90/563125290.db2.gz OTSUHPKAIYGTIX-DVECYGJZSA-N 1 0 491.598 5.287 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000036285914 563125349 /nfs/dbraw/zinc/12/53/49/563125349.db2.gz JIOABRUCZKTZQV-MBSDFSHPSA-N 1 0 496.017 5.932 1 0 JKAFRO COc1ccc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000036285910 563125358 /nfs/dbraw/zinc/12/53/58/563125358.db2.gz ONRCMIPGIAKGAP-DVECYGJZSA-N 1 0 491.598 5.287 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000036285943 563125406 /nfs/dbraw/zinc/12/54/06/563125406.db2.gz IJTWLYFEGPNSFB-JPYJTQIMSA-N 1 0 462.465 5.567 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1Cc1cccc2cc(C[NH+]3CCCC3)cnc21 ZINC000036351784 563127077 /nfs/dbraw/zinc/12/70/77/563127077.db2.gz GIAQPLBOFJKHSL-UHFFFAOYSA-N 1 0 487.028 5.971 1 0 JKAFRO C[N@H+](Cc1ccc(Cl)cc1)C(C)(C)c1cc(Cl)ccc1Oc1ccc(Cl)cc1O ZINC000036519495 563130769 /nfs/dbraw/zinc/13/07/69/563130769.db2.gz WXBWEUMOVHVOQD-UHFFFAOYSA-N 1 0 450.793 7.512 1 0 JKAFRO CCO[C@@H]1C[N@H+](C)CCN1c1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1 ZINC000037858306 563130929 /nfs/dbraw/zinc/13/09/29/563130929.db2.gz JFNDFNQIAHFSSW-AREMUKBSSA-N 1 0 482.632 5.475 1 0 JKAFRO O=C1NC[C@@H](c2ccccc2)C12CC[NH+](C1(c3ccc(OC(F)(F)F)cc3)CCCCC1)CC2 ZINC000038147563 563131821 /nfs/dbraw/zinc/13/18/21/563131821.db2.gz XOBVYGFLFIMBKT-QHCPKHFHSA-N 1 0 472.551 5.740 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2sc(C[NH+]3CCCC3)cc2c1 ZINC000038149689 563132036 /nfs/dbraw/zinc/13/20/36/563132036.db2.gz YUEOOJLKOJXWIA-UHFFFAOYSA-N 1 0 478.042 6.578 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2oc(C[NH+]3CCCC3)cc2c1 ZINC000038149683 563132098 /nfs/dbraw/zinc/13/20/98/563132098.db2.gz HJZNQSRZSUDTDL-UHFFFAOYSA-N 1 0 461.974 6.110 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2sc(C[N@H+]3CC[C@@H](O)C3)cc2c1 ZINC000038149688 563132115 /nfs/dbraw/zinc/13/21/15/563132115.db2.gz ZDFHQJRHOKOKEF-LJQANCHMSA-N 1 0 494.041 5.549 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@@H](C[NH+]1CCCC1)O2 ZINC000038149717 563132159 /nfs/dbraw/zinc/13/21/59/563132159.db2.gz HYJDZUVIJDAGNE-IBGZPJMESA-N 1 0 479.005 5.036 1 0 JKAFRO C[NH+](C)CCOc1ccc(-c2oc3ncnc(NCC4SCCS4)c3c2-c2ccccc2)cc1 ZINC000038211731 563133204 /nfs/dbraw/zinc/13/32/04/563133204.db2.gz IHWDTUMEQRTNBN-UHFFFAOYSA-N 1 0 492.670 5.715 1 0 JKAFRO CCCNC(=O)c1ccc(F)c2c1C[C@@H]([N@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000038361943 563134082 /nfs/dbraw/zinc/13/40/82/563134082.db2.gz IVCXXYAPUGLPQO-OAQYLSRUSA-N 1 0 481.587 5.377 1 0 in-vitro JKAFRO C[C@@H](OC[C@@]1(c2ccccc2)CC[C@@H](C(N)=O)C[NH2+]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000038390356 563134201 /nfs/dbraw/zinc/13/42/01/563134201.db2.gz FWQQPWRIPPMKHB-VTJXTGGHSA-N 1 0 474.445 5.182 1 0 JKAFRO COc1cc(N(C)C(=O)c2cccc(Oc3ccccc3)c2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000038454261 563134547 /nfs/dbraw/zinc/13/45/47/563134547.db2.gz UUVTWMGFPOAJMW-UHFFFAOYSA-N 1 0 476.617 6.262 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc2c(c1)OCO2 ZINC000038475955 563134851 /nfs/dbraw/zinc/13/48/51/563134851.db2.gz HSQRQXOVBSZAHO-UHFFFAOYSA-N 1 0 484.596 5.964 1 0 JKAFRO CCC(=O)O[C@@H](c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc(OC)cc2)CC1 ZINC000039239010 563136433 /nfs/dbraw/zinc/13/64/33/563136433.db2.gz NGBKHOCUOBOWPM-WDYNHAJCSA-N 1 0 458.602 5.249 1 0 JKAFRO c1ccc(COc2ccc(C[C@H](c3ccccc3)N3CC[NH+](C4CCCCC4)CC3)cc2)cc1 ZINC000039233863 563136464 /nfs/dbraw/zinc/13/64/64/563136464.db2.gz KDDGMZCMBIXENA-WJOKGBTCSA-N 1 0 454.658 6.500 1 0 JKAFRO CCC(=O)O[C@@H](c1ccccc1)[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc(OC)cc2)CC1 ZINC000039239012 563136476 /nfs/dbraw/zinc/13/64/76/563136476.db2.gz NGBKHOCUOBOWPM-VMPREFPWSA-N 1 0 458.602 5.249 1 0 JKAFRO C[C@@]1(CCCCc2ccccc2)C[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CCC2)[C@H](O5)C1=O ZINC000040368824 563137100 /nfs/dbraw/zinc/13/71/00/563137100.db2.gz UENSAMJFQMNZDZ-AOLXYQINSA-N 1 0 485.668 5.830 1 0 JKAFRO CCN(C(=O)N(C)c1ccccc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040392053 563137903 /nfs/dbraw/zinc/13/79/03/563137903.db2.gz SBNNDGTUZRHEAY-FIPFOOKPSA-N 1 0 490.692 5.465 1 0 JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccncc1 ZINC000040394143 563138652 /nfs/dbraw/zinc/13/86/52/563138652.db2.gz NAAJHTHOQMLWTO-XHTPTPNFSA-N 1 0 452.598 5.823 1 0 JKAFRO Oc1ccc(C2=C(c3ccc(OCC[NH+]4CCCCC4)cc3)c3ccc(F)cc3OCC2)cc1 ZINC000040401139 563139455 /nfs/dbraw/zinc/13/94/55/563139455.db2.gz FBXAGOZMKWMERY-UHFFFAOYSA-N 1 0 459.561 6.138 1 0 JKAFRO O=c1[nH]c2cc(Cl)ccc2n1C1CC[NH+](C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000040402435 563139635 /nfs/dbraw/zinc/13/96/35/563139635.db2.gz CRCUINALVBZFCY-UHFFFAOYSA-N 1 0 492.973 5.303 1 0 JKAFRO C[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCc3c4ccccc4[nH]c3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000040406492 563140215 /nfs/dbraw/zinc/14/02/15/563140215.db2.gz BREKGIWOIKWINL-MGMSZRMWSA-N 1 0 482.583 6.257 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(N(Cc3ccccc3)C(=O)C3CC3)CC2)CC1 ZINC000040407047 563140274 /nfs/dbraw/zinc/14/02/74/563140274.db2.gz PGPNVHBTNHPQAH-UHFFFAOYSA-N 1 0 487.688 5.201 1 0 JKAFRO O=C(NC1CCC1)c1ccc(F)c2c1C[C@H]([N@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040412225 563140956 /nfs/dbraw/zinc/14/09/56/563140956.db2.gz OXCODUCJRWQMNC-QFIPXVFZSA-N 1 0 493.598 5.519 1 0 in-vitro JKAFRO Cc1nnc(C(C)C)n1C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CC(F)(F)C2)c2ccccc2)CC1 ZINC000040421337 563141512 /nfs/dbraw/zinc/14/15/12/563141512.db2.gz FMROLDYZPAJDIZ-MBSDFSHPSA-N 1 0 473.612 5.028 1 0 JKAFRO CC(C)N1C(=O)CC[C@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1=O ZINC000040425070 563143073 /nfs/dbraw/zinc/14/30/73/563143073.db2.gz MJQWCIMLNQNHQW-SANMLTNESA-N 1 0 483.450 5.157 1 0 JKAFRO Cc1c(C[NH+]2CCCC2)cc(-c2ccc(Cl)cc2)n1Nc1ccnc2cc(Cl)ccc21 ZINC000040429044 563143230 /nfs/dbraw/zinc/14/32/30/563143230.db2.gz HHRUDLQQSYMJJR-UHFFFAOYSA-N 1 0 451.401 6.211 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000040429829 563143460 /nfs/dbraw/zinc/14/34/60/563143460.db2.gz AWFVUZFXTNVVQX-DZUANBCISA-N 1 0 494.520 5.550 1 0 JKAFRO Cc1cc(NC(=O)c2ccc([C@H](C)[NH2+]CC(C)C)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040430625 563143664 /nfs/dbraw/zinc/14/36/64/563143664.db2.gz AWAHRORRMHQSMM-NRFANRHFSA-N 1 0 497.083 6.487 1 0 JKAFRO C[NH+](C)C[C@@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1ccc(Cl)cc1 ZINC000040466881 563144270 /nfs/dbraw/zinc/14/42/70/563144270.db2.gz ZZAVYOKAKZMNHB-JOCHJYFZSA-N 1 0 476.411 5.619 1 0 JKAFRO C[NH+](C)C[C@@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2)c1ccccc1 ZINC000040466886 563144384 /nfs/dbraw/zinc/14/43/84/563144384.db2.gz YZTLYRDFBHBLLC-OAQYLSRUSA-N 1 0 476.411 5.619 1 0 JKAFRO O=C1[C@@H](c2ccc(Cl)c(Cl)c2)CCN1c1ccc(Cl)c(OCC[NH+]2CCCCC2)c1 ZINC000040566868 563145844 /nfs/dbraw/zinc/14/58/44/563145844.db2.gz UFKXLHSCSOWMHF-GOSISDBHSA-N 1 0 467.824 6.032 1 0 JKAFRO O=C1[C@H](c2ccc(Cl)c(Cl)c2)CCN1c1ccc(Cl)c(OCC[NH+]2CCCCC2)c1 ZINC000040566867 563145851 /nfs/dbraw/zinc/14/58/51/563145851.db2.gz UFKXLHSCSOWMHF-SFHVURJKSA-N 1 0 467.824 6.032 1 0 JKAFRO O=C(CN1CCCC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040587818 563146857 /nfs/dbraw/zinc/14/68/57/563146857.db2.gz DMYCELBWAKQYGG-ABQAWVCCSA-N 1 0 472.673 5.600 1 0 JKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2ncc(C)cc2c1Oc1ccc(F)c(C(F)(F)F)c1 ZINC000040617107 563146912 /nfs/dbraw/zinc/14/69/12/563146912.db2.gz ANIPWTYRYGNONQ-AWEZNQCLSA-N 1 0 451.464 6.041 1 0 JKAFRO CC(C)(C)[NH2+]Cc1c(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(O)cc1-c1ccc(Cl)cc1 ZINC000040617383 563146948 /nfs/dbraw/zinc/14/69/48/563146948.db2.gz QKVKJQJUMRXUEP-UHFFFAOYSA-N 1 0 482.411 6.784 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[N@@H+]1CC[C@H](C(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040632413 563147128 /nfs/dbraw/zinc/14/71/28/563147128.db2.gz LZGTZRZRYXUCGB-DEOSSOPVSA-N 1 0 495.566 5.203 1 0 JKAFRO Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc([C@@H](C[NH+]3CCCC3)c3ccccc3)n1-2 ZINC000040640493 563147232 /nfs/dbraw/zinc/14/72/32/563147232.db2.gz HOLCVHVDLIVISM-DEOSSOPVSA-N 1 0 468.004 5.499 1 0 JKAFRO O[C@@H](CCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040641036 563147313 /nfs/dbraw/zinc/14/73/13/563147313.db2.gz GYJCRHKZXOCKLS-MHZLTWQESA-N 1 0 451.557 5.427 1 0 JKAFRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc21 ZINC000040762350 563147799 /nfs/dbraw/zinc/14/77/99/563147799.db2.gz ULFCONGTFKAEBS-PKKBDPGCSA-N 1 0 476.564 5.799 1 0 in-vitro JKAFRO COc1cc(NC(=O)c2ccc(-c3ccccc3)c(C)c2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040763082 563147900 /nfs/dbraw/zinc/14/79/00/563147900.db2.gz MESIRBZQILWKKS-UHFFFAOYSA-N 1 0 460.618 6.421 1 0 JKAFRO Clc1ccc2c(C3CC[NH+]([C@@H]4Cc5cccc6cccc4c56)CC3)cn(Cc3ccccc3)c2c1 ZINC000040763372 563148041 /nfs/dbraw/zinc/14/80/41/563148041.db2.gz HSQJWIXWIZYOJT-SSEXGKCCSA-N 1 0 477.051 7.973 1 0 JKAFRO C[S@@](=O)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040802214 563148579 /nfs/dbraw/zinc/14/85/79/563148579.db2.gz WHKWTWBLMAMRTJ-DHUJRADRSA-N 1 0 499.623 5.119 1 0 JKAFRO COc1ccc(N2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000040822566 563148781 /nfs/dbraw/zinc/14/87/81/563148781.db2.gz GHDIPGSUJPFGKQ-FQEVSTJZSA-N 1 0 477.432 5.633 1 0 JKAFRO FCC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040829055 563148849 /nfs/dbraw/zinc/14/88/49/563148849.db2.gz AEHBDXWWYVXDOD-OIFTYBNWSA-N 1 0 454.416 7.617 1 0 JKAFRO COc1cc2c(cc1OCc1ccccc1)[C@@H](Cc1ccc(OCc3ccccc3)cc1)[NH2+]CC2 ZINC000040835223 563148938 /nfs/dbraw/zinc/14/89/38/563148938.db2.gz XJDFIDRLFSFTJH-GDLZYMKVSA-N 1 0 465.593 6.283 1 0 JKAFRO C[C@H](Nc1c(-c2c(F)cc(SCCC[NH+](C)C)cc2F)c(Cl)nc2ncnn21)C(F)(F)F ZINC000040845283 563149106 /nfs/dbraw/zinc/14/91/06/563149106.db2.gz ZRCJRHPNKUDZSW-JTQLQIEISA-N 1 0 494.921 5.129 1 0 JKAFRO C(=C/c1ccccc1)\CN1CC[NH+](CCCCCCn2c3ccccc3c3ccccc32)CC1 ZINC000040848246 563149514 /nfs/dbraw/zinc/14/95/14/563149514.db2.gz HSPBFHQLAFHJQB-NTCAYCPXSA-N 1 0 451.658 6.686 1 0 JKAFRO COc1ccc(CCCN2CC[NH+](CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040849226 563149781 /nfs/dbraw/zinc/14/97/81/563149781.db2.gz YAQUOSHKTISRTI-UHFFFAOYSA-N 1 0 455.646 5.834 1 0 JKAFRO Fc1ccc(-c2cc(C3CC[NH+](Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)on2)cc1 ZINC000040860500 563149933 /nfs/dbraw/zinc/14/99/33/563149933.db2.gz XFGOFMFYCWJSSL-UHFFFAOYSA-N 1 0 469.482 6.670 1 0 JKAFRO CCN(C(=O)Oc1ccc(F)cc1)C1CC[NH+]([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040863470 563150590 /nfs/dbraw/zinc/15/05/90/563150590.db2.gz ZEONQRRAUWWTEG-IDISGSTGSA-N 1 0 495.639 5.547 1 0 JKAFRO CC(=O)O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000040865109 563150883 /nfs/dbraw/zinc/15/08/83/563150883.db2.gz JUIPKSHLJSGGLL-CJVCNUQRSA-N 1 0 467.613 5.057 1 0 JKAFRO COc1cc2nc(N3CC[NH+](C4CCCCC4)CC3)nc(NC3CCCCCC3)c2cc1OC ZINC000040865891 563151011 /nfs/dbraw/zinc/15/10/11/563151011.db2.gz ISQMRAVNYHYMRP-UHFFFAOYSA-N 1 0 467.658 5.236 1 0 JKAFRO CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc2c1 ZINC000040866850 563151227 /nfs/dbraw/zinc/15/12/27/563151227.db2.gz DALZQMDCMBVXHC-UHFFFAOYSA-N 1 0 498.634 6.882 1 0 JKAFRO CCN(C(=O)Cc1ccc(F)cc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040867221 563151307 /nfs/dbraw/zinc/15/13/07/563151307.db2.gz BGCIDNAGNOLNPE-DFHRPNOPSA-N 1 0 493.667 5.117 1 0 JKAFRO CNC(=O)NC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040875469 563152286 /nfs/dbraw/zinc/15/22/86/563152286.db2.gz BLPNTGKZGRUNCM-QOEARLRASA-N 1 0 494.466 6.534 1 0 JKAFRO Cc1ccnc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](c2ccccc2Cl)c2ccc(C)cc2Cl)c1 ZINC000040879689 563152866 /nfs/dbraw/zinc/15/28/66/563152866.db2.gz VAZISNGVORVHPA-QNUGMYOISA-N 1 0 467.440 6.609 1 0 JKAFRO CN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000040892067 563153259 /nfs/dbraw/zinc/15/32/59/563153259.db2.gz ATMGNIRMUVUISU-UHFFFAOYSA-N 1 0 455.345 5.385 1 0 JKAFRO OC[C@@H]1CCC[N@@H+]1Cc1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1 ZINC000040892367 563153260 /nfs/dbraw/zinc/15/32/60/563153260.db2.gz NBTIZPGKEWLXFV-KRWDZBQOSA-N 1 0 484.988 5.323 1 0 JKAFRO Cn1cc(CC[NH+]2CCCC2)c2ccc(-n3ccc4nc(-c5ccc(Cl)cc5)sc4c3=O)cc21 ZINC000040894839 563153684 /nfs/dbraw/zinc/15/36/84/563153684.db2.gz AAMWNCYHHIFEER-UHFFFAOYSA-N 1 0 489.044 5.898 1 0 JKAFRO O=C(Nc1ccc2c(c1)C[C@H]([NH2+]Cc1ccccn1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000040898541 563154374 /nfs/dbraw/zinc/15/43/74/563154374.db2.gz FQVISFRAFHXJCA-RUZDIDTESA-N 1 0 487.525 6.277 1 0 JKAFRO CCCCN1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000040913454 563154900 /nfs/dbraw/zinc/15/49/00/563154900.db2.gz VFEHYWWZSNCIAC-UHFFFAOYSA-N 1 0 453.630 5.717 1 0 JKAFRO C[N@@H+](CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)CCC1c2ccccc2-c2ccccc21 ZINC000040914834 563155366 /nfs/dbraw/zinc/15/53/66/563155366.db2.gz UUSCBIXNCDZDTI-UHFFFAOYSA-N 1 0 474.048 5.513 1 0 JKAFRO Oc1ccc(C[NH+](Cc2ccc(O)c3ncccc23)Cc2ccccc2C(F)(F)F)c2cccnc12 ZINC000040917064 563155847 /nfs/dbraw/zinc/15/58/47/563155847.db2.gz LOMOLCXMSWGBDB-UHFFFAOYSA-N 1 0 489.497 6.415 1 0 JKAFRO Cc1cc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040933776 563156946 /nfs/dbraw/zinc/15/69/46/563156946.db2.gz CDDSYHKNCINBKQ-UHFFFAOYSA-N 1 0 481.040 5.776 1 0 JKAFRO CC1([NH+]2CCC(n3c4ccccc4nc3-c3cccc(OCCO)c3)CC2)CCCCCCC1 ZINC000040934275 563157360 /nfs/dbraw/zinc/15/73/60/563157360.db2.gz LQDNZHDYOIKMCY-UHFFFAOYSA-N 1 0 461.650 6.214 1 0 JKAFRO CC[NH2+]Cc1ccc(C(=O)Nc2cc(C)n(Cc3cc(Cl)ccc3OCC(C)C)n2)cc1 ZINC000040935268 563157624 /nfs/dbraw/zinc/15/76/24/563157624.db2.gz VOXFFQMJGOMJED-UHFFFAOYSA-N 1 0 455.002 5.290 1 0 JKAFRO Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2c(c1)onc2C1CC[NH2+]CC1 ZINC000040937453 563158330 /nfs/dbraw/zinc/15/83/30/563158330.db2.gz DMTJDVSGJMJVRQ-UHFFFAOYSA-N 1 0 481.600 5.518 1 0 JKAFRO NC(=[NH2+])c1ccc2[nH]c(-c3ccc4[nH]c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)nc4c3)nc2c1 ZINC000040939464 563158705 /nfs/dbraw/zinc/15/87/05/563158705.db2.gz MGHPOSOMDHFHCQ-UHFFFAOYSA-N 1 0 488.395 6.095 1 0 JKAFRO CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCC[NH+]1CCCCC1 ZINC000040952074 563159806 /nfs/dbraw/zinc/15/98/06/563159806.db2.gz SSYXDHNBTDRYDC-QHCPKHFHSA-N 1 0 496.664 6.651 1 0 JKAFRO CC(C)CNc1cc(CCc2cccc3ccccc32)[nH+]c(NCc2cccc3ccccc32)n1 ZINC000040952898 563160033 /nfs/dbraw/zinc/16/00/33/563160033.db2.gz YTPZHZBEMLHUBF-UHFFFAOYSA-N 1 0 460.625 7.248 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+]C2CCC2)C1 ZINC000040952884 563160073 /nfs/dbraw/zinc/16/00/73/563160073.db2.gz MNQVTPQZNBDJEU-QUCCMNQESA-N 1 0 450.467 5.677 1 0 JKAFRO CN(CCC[NH+]1CCC2(CC1)OCc1ccccc12)C(=O)N(c1ccccc1)c1ccc(F)c(F)c1 ZINC000040953221 563160191 /nfs/dbraw/zinc/16/01/91/563160191.db2.gz SQORIUUNRIGPKO-UHFFFAOYSA-N 1 0 491.582 6.066 1 0 JKAFRO O=C(CCCCC[NH+]1CCN(c2ccccc2-c2ccccc2)CC1)N1Cc2ccccc2C1 ZINC000040953856 563160377 /nfs/dbraw/zinc/16/03/77/563160377.db2.gz OGAUNANMKAMDND-UHFFFAOYSA-N 1 0 453.630 5.578 1 0 in-vitro JKAFRO C[NH+](C)CCOC(=O)CCCC(=O)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC000040974593 563161737 /nfs/dbraw/zinc/16/17/37/563161737.db2.gz NMKNEHMNHOHUHM-UHFFFAOYSA-N 1 0 474.768 5.620 1 0 JKAFRO Cc1nc(-c2ccc(-c3cc(NC(=O)c4ccc(CN5CC[NH+](C)CC5)cc4)ccc3C)cc2)no1 ZINC000040975119 563161898 /nfs/dbraw/zinc/16/18/98/563161898.db2.gz TXQQSEBGLCKSLW-UHFFFAOYSA-N 1 0 481.600 5.020 1 0 JKAFRO Cc1cccc(-c2nc3c(cccc3N3CC[NH+](CCOc4cccc5[nH]c(=S)[nH]c54)CC3)[nH]2)c1 ZINC000040981147 563162528 /nfs/dbraw/zinc/16/25/28/563162528.db2.gz KWDIWSGAORZYRH-UHFFFAOYSA-N 1 0 484.629 5.278 1 0 JKAFRO O=C(C=Cc1cc(F)c(F)c(F)c1)N1CCC(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000042888035 563163399 /nfs/dbraw/zinc/16/33/99/563163399.db2.gz UYCXPEUZITZZLZ-ONEGZZNKSA-N 1 0 482.550 5.112 1 0 JKAFRO Fc1ccc(-c2[nH]cc(CCC[NH+]3CCN(Cc4ccccc4)CC3)c2-c2ccncc2)cc1 ZINC000043015051 563164554 /nfs/dbraw/zinc/16/45/54/563164554.db2.gz UAPHBBISPACICY-UHFFFAOYSA-N 1 0 454.593 5.633 1 0 JKAFRO FC(F)Cn1c(C[NH2+]C2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043021899 563165037 /nfs/dbraw/zinc/16/50/37/563165037.db2.gz PMJQRZTZNLSQAZ-UHFFFAOYSA-N 1 0 484.805 7.475 1 0 JKAFRO Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nc(C[NH2+]C3CCCC3)n2C2CC2)cc1 ZINC000043062858 563165893 /nfs/dbraw/zinc/16/58/93/563165893.db2.gz GTFBPXLNQSKHMU-UHFFFAOYSA-N 1 0 460.836 7.544 1 0 JKAFRO O=C(C=C1CCC(Oc2ccccc2)CC1)N[C@@H]1CC[N@@H+](Cc2ccc3cc(F)ccc3c2)C1 ZINC000043074175 563166521 /nfs/dbraw/zinc/16/65/21/563166521.db2.gz BLIXSIRUUZYDMW-HSLSYKTRSA-N 1 0 458.577 5.617 1 0 JKAFRO CC(C)=CCC/C(C)=C/CN(CC[NH2+]C1C2CC3CC(C2)CC1C3)C(=O)OCOC(=O)C(C)(C)C ZINC000043074735 563166608 /nfs/dbraw/zinc/16/66/08/563166608.db2.gz CBINEICAHRUERV-UFFVCSGVSA-N 1 0 488.713 6.079 1 0 JKAFRO C[C@@H](CNC(=O)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1 ZINC000043079019 563166897 /nfs/dbraw/zinc/16/68/97/563166897.db2.gz FEELMJWVBBMMQE-QFIPXVFZSA-N 1 0 470.613 5.404 1 0 JKAFRO C[C@@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccc(C[NH2+]C(C)(C)C)cc1F ZINC000043078720 563166910 /nfs/dbraw/zinc/16/69/10/563166910.db2.gz KDLFHICIJUKVAM-OAHLLOKOSA-N 1 0 466.582 5.329 1 0 JKAFRO CC(C)Cn1c(C[NH2+]C2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043120501 563167449 /nfs/dbraw/zinc/16/74/49/563167449.db2.gz OFILQCHYCUDDFI-UHFFFAOYSA-N 1 0 476.879 7.866 1 0 JKAFRO C[C@@H](NC(=O)c1ccc(C=C2CC[NH+](CC3CCCCC3)CC2)cc1)c1ccc(Br)cc1 ZINC000043120801 563167540 /nfs/dbraw/zinc/16/75/40/563167540.db2.gz CGXGDXSXRVZGLN-OAQYLSRUSA-N 1 0 495.505 7.000 1 0 JKAFRO COc1ccc([C@@H](C)NC(=O)c2ccc(CC3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 ZINC000043122299 563167602 /nfs/dbraw/zinc/16/76/02/563167602.db2.gz XGHQCOKQRQZBOU-OAQYLSRUSA-N 1 0 486.612 5.370 1 0 JKAFRO C[NH2+]Cc1ccc(NC(=O)c2cc(C)n(Cc3cc(Cl)cc4cc(C(C)C)oc43)n2)cc1 ZINC000043173667 563168114 /nfs/dbraw/zinc/16/81/14/563168114.db2.gz XDMJIJUZTBXYQQ-UHFFFAOYSA-N 1 0 450.970 5.735 1 0 JKAFRO CC(C)[C@@H]1CCC(=O)N(C2CCCCC2)CCc2cccc(c2)Oc2ccc3c(c2)CN1C(=[NH2+])N3 ZINC000043171639 563168135 /nfs/dbraw/zinc/16/81/35/563168135.db2.gz SQPMZLUNHQTZMU-MHZLTWQESA-N 1 0 474.649 5.763 1 0 JKAFRO C[NH+]1CCC(Oc2cc(NC(=O)Nc3ccc(-c4ccncc4)c(Cl)c3)ccc2Cl)CC1 ZINC000045167346 563173114 /nfs/dbraw/zinc/17/31/14/563173114.db2.gz BZOGOYQZVCYQJW-UHFFFAOYSA-N 1 0 471.388 6.172 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4cccc(C[NH2+]C[C@H]5CCCO5)c4)c3)nc2c1 ZINC000045167856 563173457 /nfs/dbraw/zinc/17/34/57/563173457.db2.gz SGYDETKERWJDGI-JOCHJYFZSA-N 1 0 451.492 6.184 1 0 JKAFRO Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)Nc2cc(C)[nH+]c(NCc3ccccc3C)n2)cc1 ZINC000045167894 563173473 /nfs/dbraw/zinc/17/34/73/563173473.db2.gz MWPQHXPPICBCIB-MHZLTWQESA-N 1 0 479.628 5.354 1 0 JKAFRO Cc1ccc(C[NH+]2CCC(Oc3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)CC2)cc1 ZINC000045168617 563173785 /nfs/dbraw/zinc/17/37/85/563173785.db2.gz WOZZPBPDFYUJIO-UHFFFAOYSA-N 1 0 468.519 6.310 1 0 JKAFRO COC(=O)c1ccc(C[C@H](C)[NH2+]C[C@H](O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000045168498 563173799 /nfs/dbraw/zinc/17/37/99/563173799.db2.gz HCEONJOZLUTGSX-XDHUDOTRSA-N 1 0 473.491 5.539 1 0 JKAFRO Cc1n[nH]c(C)c1C1CC[NH+](CC2CCC(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000045168515 563173836 /nfs/dbraw/zinc/17/38/36/563173836.db2.gz GIJSQECAHNFGIP-UXBLZVDNSA-N 1 0 489.491 5.901 1 0 JKAFRO Nc1c(Cl)cc([C@H](O)C[NH2+]CCCCCOCCc2ccc3ccccc3n2)cc1Cl ZINC000045168832 563173889 /nfs/dbraw/zinc/17/38/89/563173889.db2.gz XVQKMFWANPFATE-HSZRJFAPSA-N 1 0 462.421 5.176 1 0 JKAFRO CCC[C@@H](CNc1cc(=O)c2ccccc2[nH]1)C[NH2+]Cc1cccc(OC(F)(F)C(F)F)c1 ZINC000045169192 563174040 /nfs/dbraw/zinc/17/40/40/563174040.db2.gz KKLAZLRYQPDOPE-QGZVFWFLSA-N 1 0 465.491 5.383 1 0 JKAFRO O=C(Nc1ccc(F)c(F)c1)c1ccc(C[N@H+]2CCCN(Cc3cccc(F)c3)CC2)cc1 ZINC000045186652 563174170 /nfs/dbraw/zinc/17/41/70/563174170.db2.gz HJSHOFGCMNIVIF-UHFFFAOYSA-N 1 0 453.508 5.064 1 0 JKAFRO O=C(/C=C/c1cccc(Br)c1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000045186799 563174195 /nfs/dbraw/zinc/17/41/95/563174195.db2.gz MPDFUWYIIXMXNC-VAWYXSNFSA-N 1 0 494.477 6.110 1 0 JKAFRO COc1cccc(C[N@@H+]2CCCN(Cc3cccc(NC(=O)c4cc5ccccc5s4)c3)CC2)c1 ZINC000045187375 563174462 /nfs/dbraw/zinc/17/44/62/563174462.db2.gz OFQWISNUZNETDP-UHFFFAOYSA-N 1 0 485.653 5.870 1 0 JKAFRO O=C(Nc1cccc(OCc2ccccc2)c1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000045187873 563174538 /nfs/dbraw/zinc/17/45/38/563174538.db2.gz BAWJCVJDAMADPR-UHFFFAOYSA-N 1 0 490.647 6.973 1 0 JKAFRO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cc2)cc1 ZINC000045188268 563174683 /nfs/dbraw/zinc/17/46/83/563174683.db2.gz IVWDHEGMLMBGJL-UHFFFAOYSA-N 1 0 487.525 7.214 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000045188142 563174744 /nfs/dbraw/zinc/17/47/44/563174744.db2.gz MJNVRWHUXKBIPE-OVCLIPMQSA-N 1 0 470.579 6.334 1 0 JKAFRO C[C@@H](Cc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1)[NH2+]C[C@H](O)c1ccccc1 ZINC000045188572 563174785 /nfs/dbraw/zinc/17/47/85/563174785.db2.gz PNOVWAYGLVOJSX-IADCTJSHSA-N 1 0 465.593 5.887 1 0 JKAFRO COc1cc(C[C@H](C)[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 ZINC000045188343 563174789 /nfs/dbraw/zinc/17/47/89/563174789.db2.gz NXNWQXLTENSPMS-MBSDFSHPSA-N 1 0 459.508 5.547 1 0 JKAFRO CC(C)(C(=O)Nc1ccc(C2CCC([NH2+]CC3CC3)CC2)c(Cl)c1)c1cccc(OC(F)F)c1 ZINC000045189742 563175282 /nfs/dbraw/zinc/17/52/82/563175282.db2.gz OHTKJUZJSCSJKF-UHFFFAOYSA-N 1 0 491.022 6.884 1 0 JKAFRO O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCc2cc3nccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000045189619 563175317 /nfs/dbraw/zinc/17/53/17/563175317.db2.gz FOKUHXRLJSVNQA-PABBZOGXSA-N 1 0 492.545 5.141 1 0 JKAFRO C[C@H](Cc1ccc(OCCCCOc2ccccc2)cc1)[NH2+]CCc1ccc(Oc2ccccc2)cc1 ZINC000045190016 563175432 /nfs/dbraw/zinc/17/54/32/563175432.db2.gz MQOONXGYWYJEEH-HHHXNRCGSA-N 1 0 495.663 7.480 1 0 JKAFRO COc1ccc(-c2csc(C(=O)NC3CCC([NH+]4CCC(c5ccccc5C)CC4)CC3)c2)cc1 ZINC000045190041 563175460 /nfs/dbraw/zinc/17/54/60/563175460.db2.gz OKQCLRUZXNOJPM-UHFFFAOYSA-N 1 0 488.697 6.653 1 0 JKAFRO COc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000045190946 563175644 /nfs/dbraw/zinc/17/56/44/563175644.db2.gz PYXDCDLMTRZFOM-QGZVFWFLSA-N 1 0 474.548 5.694 1 0 JKAFRO CCC[NH2+]Cc1ccc(-c2ccc(CN(C[C@H]3CCCO3)C(=O)[C@H]3CC(=O)c4ccccc43)cc2)nc1 ZINC000045190943 563175666 /nfs/dbraw/zinc/17/56/66/563175666.db2.gz DWSILWRKVWCDDB-NAKRPHOHSA-N 1 0 497.639 5.126 1 0 JKAFRO COc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000045190949 563175691 /nfs/dbraw/zinc/17/56/91/563175691.db2.gz PYXDCDLMTRZFOM-KRWDZBQOSA-N 1 0 474.548 5.694 1 0 JKAFRO O=C(NC1CCC([NH+]2CCC(c3nc4ccccc4s3)CC2)CC1)c1cc2ccccc2[nH]1 ZINC000045191303 563175826 /nfs/dbraw/zinc/17/58/26/563175826.db2.gz CZDGBUPNSJUGPO-UHFFFAOYSA-N 1 0 458.631 5.698 1 0 JKAFRO COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1C[NH+]1CCC(O)CC1 ZINC000045191812 563176010 /nfs/dbraw/zinc/17/60/10/563176010.db2.gz BKTCZNYIJZCTQT-UHFFFAOYSA-N 1 0 450.966 5.225 1 0 JKAFRO COc1cccc(/C=C/C(=O)NC2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)c1 ZINC000045192810 563176540 /nfs/dbraw/zinc/17/65/40/563176540.db2.gz KEYBUBNFKPXBJF-SDNWHVSQSA-N 1 0 471.645 5.744 1 0 JKAFRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4ccc(N(C)C)cc4)cs3)C2)cc1 ZINC000045192794 563176561 /nfs/dbraw/zinc/17/65/61/563176561.db2.gz LUHZETXPQXBRHR-JOCHJYFZSA-N 1 0 461.675 5.856 1 0 JKAFRO COc1cc(NC(=O)/C=C/c2ccccc2OC(F)(F)F)cc(OCC[NH+]2CCCCC2)c1 ZINC000045193471 563176636 /nfs/dbraw/zinc/17/66/36/563176636.db2.gz VMCGEFMEPCPIHE-MDZDMXLPSA-N 1 0 464.484 5.110 1 0 JKAFRO Oc1cc(Nc2ccnc3cc(-c4ccc(C[NH+]5CCCCC5)o4)ccc32)c(Cl)cc1F ZINC000045193990 563176928 /nfs/dbraw/zinc/17/69/28/563176928.db2.gz LQDDDBRIRPYMLA-UHFFFAOYSA-N 1 0 451.929 6.722 1 0 JKAFRO CCCc1c(C(=O)Nc2ccc3c(c2)CC[N@H+](C2CCC2)CC3)cnn1-c1ccc(Cl)cc1 ZINC000045194737 563177144 /nfs/dbraw/zinc/17/71/44/563177144.db2.gz IZXCLYONMQLTJO-UHFFFAOYSA-N 1 0 463.025 5.684 1 0 JKAFRO CC1=C(C(=O)NC2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)Cc2ccccc21 ZINC000045194755 563177149 /nfs/dbraw/zinc/17/71/49/563177149.db2.gz YULKUDLSUKDFDO-UHFFFAOYSA-N 1 0 467.657 6.052 1 0 JKAFRO O=c1cc(NCCC[NH2+][C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 ZINC000045194604 563177157 /nfs/dbraw/zinc/17/71/57/563177157.db2.gz LZWLRNCRJRUWNB-RUZDIDTESA-N 1 0 452.385 6.016 1 0 JKAFRO O=C(CCCCCCc1ccccc1)Nc1ccc2[nH+]c3c(c(NCc4ccccc4)c2c1)CCCC3 ZINC000045194882 563177248 /nfs/dbraw/zinc/17/72/48/563177248.db2.gz POSDUARGLSJQJA-UHFFFAOYSA-N 1 0 491.679 7.857 1 0 JKAFRO CS(=O)(=O)CC[NH2+]Cc1cccc(-c2ccc3c(c2)nccc3Nc2cc(O)c(Cl)cc2F)c1 ZINC000045195013 563177324 /nfs/dbraw/zinc/17/73/24/563177324.db2.gz OZZJDPJCYNDZKR-UHFFFAOYSA-N 1 0 499.995 5.278 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3ccc(-c4ccccc4)s3)CC2)CC1 ZINC000045195222 563177366 /nfs/dbraw/zinc/17/73/66/563177366.db2.gz NVUPYQFGGVAQRM-UHFFFAOYSA-N 1 0 458.671 6.644 1 0 JKAFRO COc1ccc(NC(=O)[C@H](CC(C)C)Nc2cc(C)[nH+]c(NCCc3ccc(F)cc3)n2)cc1 ZINC000045195125 563177381 /nfs/dbraw/zinc/17/73/81/563177381.db2.gz UBVYRIJGUQEGKN-QHCPKHFHSA-N 1 0 465.573 5.053 1 0 JKAFRO COc1cc(NC(=O)N2CCc3ccc(OCC[NH+]4CCCCC4)cc32)cc(C(F)(F)F)c1 ZINC000045195433 563177404 /nfs/dbraw/zinc/17/74/04/563177404.db2.gz LWZZPVGLRCFPIY-UHFFFAOYSA-N 1 0 463.500 5.173 1 0 JKAFRO Fc1ccc(C(OC[C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)c2ccc(F)cc2)cc1 ZINC000045196012 563177721 /nfs/dbraw/zinc/17/77/21/563177721.db2.gz LYAIJNGTORAFJU-NRFANRHFSA-N 1 0 458.552 6.531 1 0 JKAFRO Fc1ccc(C(OC[C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)c2ccc(F)cc2)cc1 ZINC000045196015 563177731 /nfs/dbraw/zinc/17/77/31/563177731.db2.gz LYAIJNGTORAFJU-OAQYLSRUSA-N 1 0 458.552 6.531 1 0 JKAFRO COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1CN(C)CC[NH+](C)C ZINC000045196322 563177844 /nfs/dbraw/zinc/17/78/44/563177844.db2.gz CLDBYDJECAXLRA-UHFFFAOYSA-N 1 0 451.998 5.261 1 0 JKAFRO Cc1ccc(C[N@@H+]2CCCN(Cc3cccc(NC(=O)c4cc5ccccc5s4)c3)CC2)cc1C ZINC000045196170 563177863 /nfs/dbraw/zinc/17/78/63/563177863.db2.gz CIQBSIVITIYCNK-UHFFFAOYSA-N 1 0 483.681 6.478 1 0 JKAFRO COc1ccccc1-c1csc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3)C2)c1 ZINC000045201358 563178147 /nfs/dbraw/zinc/17/81/47/563178147.db2.gz YXNAOSFHMSSLOR-NRFANRHFSA-N 1 0 462.659 5.973 1 0 JKAFRO COc1ccccc1-c1csc(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3)C2)c1 ZINC000045201356 563178229 /nfs/dbraw/zinc/17/82/29/563178229.db2.gz YXNAOSFHMSSLOR-OAQYLSRUSA-N 1 0 462.659 5.973 1 0 JKAFRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCCCNc1nc2ccccc2[nH]1 ZINC000045201712 563178382 /nfs/dbraw/zinc/17/83/82/563178382.db2.gz HDUWTXJEUXJTKM-UHFFFAOYSA-N 1 0 496.247 5.469 1 0 JKAFRO CSc1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4ccc(N(C)C)cc4)s3)CC2)cc1 ZINC000045201754 563178399 /nfs/dbraw/zinc/17/83/99/563178399.db2.gz AYYISZPRKOKACH-UHFFFAOYSA-N 1 0 465.688 5.597 1 0 JKAFRO O=C(Nc1cccc2ccccc21)N1CCc2cc3nccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000045201844 563178437 /nfs/dbraw/zinc/17/84/37/563178437.db2.gz HHRIBTXBQDPYNU-QFIPXVFZSA-N 1 0 463.585 5.267 1 0 JKAFRO Cc1ccc(/C=C/C(=O)NC2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc1 ZINC000045201792 563178446 /nfs/dbraw/zinc/17/84/46/563178446.db2.gz NKALKSSEWJTVBX-NTCAYCPXSA-N 1 0 455.646 6.044 1 0 JKAFRO CC(C)(C)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4ccsc4)CC3)cc2)cc1 ZINC000045201905 563178478 /nfs/dbraw/zinc/17/84/78/563178478.db2.gz IPXWEEHFALFFBB-UHFFFAOYSA-N 1 0 461.675 6.006 1 0 JKAFRO CCCc1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4cccc(O)c4)CC3)cc2)cc1 ZINC000045202345 563178677 /nfs/dbraw/zinc/17/86/77/563178677.db2.gz XZWGTNILZNMHNR-UHFFFAOYSA-N 1 0 457.618 5.305 1 0 JKAFRO C[NH+](C)Cc1cccc(-c2ccc(NC(=O)c3ccc4c(c3)ncn(C3CCCCC3)c4=O)cc2)c1 ZINC000045202492 563178726 /nfs/dbraw/zinc/17/87/26/563178726.db2.gz RCXKMZSCFFOGCY-UHFFFAOYSA-N 1 0 480.612 5.883 1 0 JKAFRO O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc([C@H]2CCC[N@H+](Cc3ccc4[nH]cnc4c3)C2)cc1 ZINC000045202657 563178817 /nfs/dbraw/zinc/17/88/17/563178817.db2.gz NZHMAZFEJLBJTF-QFIPXVFZSA-N 1 0 493.438 6.179 1 0 JKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cccc(Cl)c3)CC2)CC1 ZINC000045202723 563179021 /nfs/dbraw/zinc/17/90/21/563179021.db2.gz VSNPUOJVNFNUNE-NTEUORMPSA-N 1 0 453.026 5.669 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]Cc5ccccc5)c4)s3)nc2c1 ZINC000045202700 563179043 /nfs/dbraw/zinc/17/90/43/563179043.db2.gz KHSWLFPRJDBSMX-UHFFFAOYSA-N 1 0 463.528 7.267 1 0 JKAFRO O=C(NCCCCC[N@@H+]1CC[C@H](c2c[nH]c3ccccc32)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000045202975 563179064 /nfs/dbraw/zinc/17/90/64/563179064.db2.gz IPNLFRMAZILFPL-KRWDZBQOSA-N 1 0 459.421 6.256 1 0 JKAFRO CCCCCc1cc(O)c2c(c1)OC(C)(C)C[C@@H]2C1=CC[N@H+](Cc2cnc3ccccc3c2)CC1 ZINC000045202953 563179143 /nfs/dbraw/zinc/17/91/43/563179143.db2.gz OCDPKTIICXDZKC-AREMUKBSSA-N 1 0 470.657 7.150 1 0 JKAFRO COc1ccc(NC(=O)N2CCc3ccc(OCC[NH+](C(C)C)C(C)C)cc32)cc1C(F)(F)F ZINC000045210488 563179325 /nfs/dbraw/zinc/17/93/25/563179325.db2.gz CLKQSOCVMOCXMF-UHFFFAOYSA-N 1 0 479.543 5.806 1 0 JKAFRO CCc1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4cccc(Cl)c4)CC3)cc2)cc1 ZINC000045211080 563179683 /nfs/dbraw/zinc/17/96/83/563179683.db2.gz LRWFMOAANLHCJF-UHFFFAOYSA-N 1 0 462.037 5.863 1 0 JKAFRO CC(C)CCCC(C)(C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(OCC2CC2)c1 ZINC000045226489 563179813 /nfs/dbraw/zinc/17/98/13/563179813.db2.gz WUWOJGHRBVSVOU-WUFINQPMSA-N 1 0 480.693 5.372 1 0 JKAFRO CSc1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)s3)CC2)cc1 ZINC000045227250 563179894 /nfs/dbraw/zinc/17/98/94/563179894.db2.gz PSEYESLNQXSQKO-UHFFFAOYSA-N 1 0 490.616 6.550 1 0 JKAFRO Cc1cc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@@H](C)[N@H+](C)[C@@H](C)C5)cc34)cc2C)cc(C)n1 ZINC000045227130 563179896 /nfs/dbraw/zinc/17/98/96/563179896.db2.gz MBYXZTHDGYFIBC-SZPZYZBQSA-N 1 0 482.628 6.201 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3cncc(-c4ccccc4)c3)CC2)CC1 ZINC000045227291 563180040 /nfs/dbraw/zinc/18/00/40/563180040.db2.gz TXOOKPGJJOVZOU-UHFFFAOYSA-N 1 0 453.630 5.978 1 0 JKAFRO Nc1cccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)c1 ZINC000045227284 563180060 /nfs/dbraw/zinc/18/00/60/563180060.db2.gz HCQYZIZQRPJDFG-UHFFFAOYSA-N 1 0 472.514 6.788 1 0 JKAFRO C[C@H]1C[C@@H]([NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c2cc(Cl)c(Cl)c(Cl)c21 ZINC000045227734 563180128 /nfs/dbraw/zinc/18/01/28/563180128.db2.gz VPQQBXYJMKGVQV-YVEFUNNKSA-N 1 0 450.797 6.128 1 0 JKAFRO COc1ccc(/C=C/C(=O)NCCCCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1O ZINC000045227590 563180141 /nfs/dbraw/zinc/18/01/41/563180141.db2.gz YWHMOAGKWWJYJL-ZRDIBKRKSA-N 1 0 461.606 5.061 1 0 JKAFRO CC(C)(C)c1ccc2[nH]c(-c3ccc(C=CC(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)nc2c1 ZINC000045228011 563180256 /nfs/dbraw/zinc/18/02/56/563180256.db2.gz TWTCHQSSUPFFBT-LFIBNONCSA-N 1 0 492.667 6.321 1 0 JKAFRO COc1ccc(NC(=O)c2ccc(/C=C/c3ccc(C(F)(F)F)cc3)cc2)cc1N1CC[NH+](C)CC1 ZINC000045228053 563180284 /nfs/dbraw/zinc/18/02/84/563180284.db2.gz XXSRFWQTUSQQKK-ONEGZZNKSA-N 1 0 495.545 5.889 1 0 JKAFRO CC[NH+](CC)CCCN(C(=O)Nc1c(Cl)cncc1Cl)c1nc(-c2ccc(F)cc2)cs1 ZINC000045228362 563180405 /nfs/dbraw/zinc/18/04/05/563180405.db2.gz UAADJAIJCLIIPP-UHFFFAOYSA-N 1 0 496.439 6.421 1 0 JKAFRO S=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000045228480 563180440 /nfs/dbraw/zinc/18/04/40/563180440.db2.gz YIUMMHVZTIRROB-UHFFFAOYSA-N 1 0 489.516 6.811 1 0 JKAFRO CC(C)(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4cccc(Cl)c4)s3)CC2)cc1 ZINC000045228438 563180464 /nfs/dbraw/zinc/18/04/64/563180464.db2.gz KXUGXDHGZCMYFT-UHFFFAOYSA-N 1 0 467.078 6.760 1 0 JKAFRO O=C(Nc1ccc2c(ccn2[C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3F)CC2)c1)c1ccco1 ZINC000045228375 563180468 /nfs/dbraw/zinc/18/04/68/563180468.db2.gz WESPUJRLPZQXFG-OAQYLSRUSA-N 1 0 467.491 6.131 1 0 JKAFRO CCc1c2cc(OC)ccc2[nH]c1C(=O)NC1CCC([NH+]2CCC(c3ccccc3OC)CC2)CC1 ZINC000045228776 563180545 /nfs/dbraw/zinc/18/05/45/563180545.db2.gz RWUNEXVCIOILMZ-UHFFFAOYSA-N 1 0 489.660 5.668 1 0 JKAFRO COc1ccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1CN(C)CC[NH+](C)C ZINC000045229417 563180768 /nfs/dbraw/zinc/18/07/68/563180768.db2.gz HUUCGZAYHJISNJ-UHFFFAOYSA-N 1 0 451.998 5.261 1 0 JKAFRO CN(C)c1ccc(-c2csc(C(=O)NC[C@H]3CC[N@H+](Cc4cccc(C(F)(F)F)c4)C3)c2)cc1 ZINC000045229892 563180915 /nfs/dbraw/zinc/18/09/15/563180915.db2.gz MKLDTECGNKEAQR-LJQANCHMSA-N 1 0 487.591 5.752 1 0 JKAFRO O=C(Nc1ccc(OC2CC[NH+](Cc3ccco3)CC2)c(Cl)c1)c1ccc2ncccc2c1 ZINC000045230654 563181177 /nfs/dbraw/zinc/18/11/77/563181177.db2.gz RFUMOSGXRZBGSM-UHFFFAOYSA-N 1 0 461.949 5.777 1 0 JKAFRO COc1cccc(-c2csc(C(=O)N[C@H]3CCCC[N@H+](Cc4ccc(C(C)(C)C)cc4)C3)c2)c1 ZINC000045231390 563181484 /nfs/dbraw/zinc/18/14/84/563181484.db2.gz BTMGPOBEYRZARH-VWLOTQADSA-N 1 0 476.686 6.506 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045245401 563181706 /nfs/dbraw/zinc/18/17/06/563181706.db2.gz IGDSTPGRVUZEAO-UHFFFAOYSA-N 1 0 457.618 5.677 1 0 JKAFRO COc1ccccc1C[NH2+]CCCCCCCCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000045245673 563181800 /nfs/dbraw/zinc/18/18/00/563181800.db2.gz YFXXPKKVYUNJNB-UHFFFAOYSA-N 1 0 472.629 6.355 1 0 JKAFRO Clc1ccc([C@@H]2[NH+]=C(N3CCN(c4ccccn4)CC3)NC3=C2CCc2ccccc23)c(Cl)c1 ZINC000045253579 563182118 /nfs/dbraw/zinc/18/21/18/563182118.db2.gz VCPFDMTXQLGBNW-SANMLTNESA-N 1 0 490.438 5.568 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000045254299 563182374 /nfs/dbraw/zinc/18/23/74/563182374.db2.gz HPLBEWFHWQSGMS-UHFFFAOYSA-N 1 0 491.701 6.084 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000045257316 563182785 /nfs/dbraw/zinc/18/27/85/563182785.db2.gz SRCHCGWKBLCANK-UHFFFAOYSA-N 1 0 472.633 5.114 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CC[NH+](CCc3ccoc3)CC2)cc1 ZINC000045256735 563182794 /nfs/dbraw/zinc/18/27/94/563182794.db2.gz QYRIDQULGPNJJZ-UHFFFAOYSA-N 1 0 475.633 5.615 1 0 JKAFRO C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C ZINC000045259124 563183034 /nfs/dbraw/zinc/18/30/34/563183034.db2.gz TXKGZBMLEOIXBU-SFHVURJKSA-N 1 0 468.001 5.638 1 0 JKAFRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C ZINC000045259120 563183057 /nfs/dbraw/zinc/18/30/57/563183057.db2.gz TXKGZBMLEOIXBU-GOSISDBHSA-N 1 0 468.001 5.638 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000045260034 563183130 /nfs/dbraw/zinc/18/31/30/563183130.db2.gz SBIAACBNBGWKOI-UHFFFAOYSA-N 1 0 472.633 5.114 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)NC)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045284119 563183536 /nfs/dbraw/zinc/18/35/36/563183536.db2.gz BZWWVIRBGPPRQF-UHFFFAOYSA-N 1 0 498.671 5.331 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2ccccc2C(N)=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045286397 563184062 /nfs/dbraw/zinc/18/40/62/563184062.db2.gz GXTDUMFWGMMKCR-UHFFFAOYSA-N 1 0 484.644 5.070 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(NC(C)=O)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045288285 563184393 /nfs/dbraw/zinc/18/43/93/563184393.db2.gz XTJAWYNXRXRTMU-UHFFFAOYSA-N 1 0 498.671 5.930 1 0 JKAFRO Cc1cc([C@H]2c3cc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)ccc3NC2=O)oc1C ZINC000045288923 563184585 /nfs/dbraw/zinc/18/45/85/563184585.db2.gz DLZWCMAHCZVYJE-PZGXJGMVSA-N 1 0 492.579 5.473 1 0 JKAFRO O=C1C[C@H](C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)Cc2nc(-c3ccccc3)ncc21 ZINC000045291249 563185098 /nfs/dbraw/zinc/18/50/98/563185098.db2.gz LSEUGCSNKVUOIA-QGZVFWFLSA-N 1 0 456.521 5.049 1 0 JKAFRO COc1ccc(C[N@H+]([C@@H]2CC(=O)c3ccccc32)[C@H]2CCc3ccccc3C2)c(OC)c1OC ZINC000045300720 563185548 /nfs/dbraw/zinc/18/55/48/563185548.db2.gz MCKPVGYBBOPEPD-WIOPSUGQSA-N 1 0 457.570 5.400 1 0 JKAFRO CC(C)c1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CC[NH+](CC4CCCCC4)CC3)c2)cc1 ZINC000045301220 563185749 /nfs/dbraw/zinc/18/57/49/563185749.db2.gz HWWZUNYVMQCVMZ-UHFFFAOYSA-N 1 0 497.705 5.385 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3cc4cc(C(C)C)ccc4[nH]3)CC2)CC1 ZINC000045302255 563186095 /nfs/dbraw/zinc/18/60/95/563186095.db2.gz NZBRBGNVEVMWEG-UHFFFAOYSA-N 1 0 457.662 6.520 1 0 JKAFRO Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)[C@@H](C)C[NH+]5CCN(C)CC5)c4)s3)nc21 ZINC000045302359 563186290 /nfs/dbraw/zinc/18/62/90/563186290.db2.gz VWHHEBWARHLMQO-IBGZPJMESA-N 1 0 473.646 5.089 1 0 JKAFRO O=C(NC1CC[NH+](CCCc2ccccc2)CC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000045302303 563186318 /nfs/dbraw/zinc/18/63/18/563186318.db2.gz XVOBZFWZKTUHIX-UHFFFAOYSA-N 1 0 472.576 6.261 1 0 JKAFRO Cc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000045302392 563186377 /nfs/dbraw/zinc/18/63/77/563186377.db2.gz BOFMKYCRLHRNOA-GDLZYMKVSA-N 1 0 467.609 6.318 1 0 JKAFRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4cccc(Cl)c4)s3)CC2)cc1 ZINC000045302857 563186871 /nfs/dbraw/zinc/18/68/71/563186871.db2.gz HMULHXRQCFFKAO-UHFFFAOYSA-N 1 0 468.022 5.421 1 0 JKAFRO CC(C)c1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 ZINC000045302946 563186913 /nfs/dbraw/zinc/18/69/13/563186913.db2.gz BOTKJMUUEGHOFH-VWLOTQADSA-N 1 0 450.623 6.462 1 0 JKAFRO CCOc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000045315059 563187308 /nfs/dbraw/zinc/18/73/08/563187308.db2.gz XBWDDWHZPOSMJF-UHFFFAOYSA-N 1 0 489.019 5.676 1 0 JKAFRO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCCCCC1)NCc1ccccc1C(F)(F)F ZINC000045315785 563187431 /nfs/dbraw/zinc/18/74/31/563187431.db2.gz SVOKQIDSNHCLHN-UHFFFAOYSA-N 1 0 498.549 5.234 1 0 JKAFRO COc1cccc(-c2csc(C(=O)NC[C@H]3CC[N@H+](Cc4ccc(C(C)(C)C)cc4)C3)c2)c1 ZINC000045315884 563187433 /nfs/dbraw/zinc/18/74/33/563187433.db2.gz MBXZSQLAKYLOLH-OAQYLSRUSA-N 1 0 462.659 5.973 1 0 JKAFRO COc1cc(/C=C/C(=O)N2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)ccc1O ZINC000045317362 563187615 /nfs/dbraw/zinc/18/76/15/563187615.db2.gz VESOTZUIXHQZLU-VQHVLOKHSA-N 1 0 473.617 5.014 1 0 JKAFRO Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCc2cccc(F)c2)nc(NCc2ccccc2C)[nH+]1 ZINC000045317836 563187620 /nfs/dbraw/zinc/18/76/20/563187620.db2.gz IUQXALPMVQHUOX-SANMLTNESA-N 1 0 483.591 5.184 1 0 JKAFRO O=C(CCCCCc1ccccc1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045318787 563187713 /nfs/dbraw/zinc/18/77/13/563187713.db2.gz DEOXYXQPTKDRIU-UHFFFAOYSA-N 1 0 485.716 6.825 1 0 JKAFRO CC[NH+](CC)CCC[C@H](C)N(Cc1cccc(OCc2ccccc2)c1)C(=O)NCc1ccccc1 ZINC000045321014 563188114 /nfs/dbraw/zinc/18/81/14/563188114.db2.gz KFTSNLVZZODXRT-SANMLTNESA-N 1 0 487.688 6.488 1 0 JKAFRO O=c1cc(NCCC[NH2+][C@@H]2CCCc3c(Cl)c(Cl)c(Cl)cc32)[nH]c2ccccc12 ZINC000045321773 563188243 /nfs/dbraw/zinc/18/82/43/563188243.db2.gz JPFCROIMCJVOKU-QGZVFWFLSA-N 1 0 450.797 5.958 1 0 JKAFRO CCOc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000045322150 563188391 /nfs/dbraw/zinc/18/83/91/563188391.db2.gz JINTVXQDNNQYEG-UHFFFAOYSA-N 1 0 455.002 5.321 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)cc1Cl)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000045321918 563188397 /nfs/dbraw/zinc/18/83/97/563188397.db2.gz CEMLXILJFXNBJI-PKNBQFBNSA-N 1 0 484.471 6.654 1 0 JKAFRO CCOc1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@H](C)CCC[NH+](CC)CC)cc1 ZINC000045322153 563188446 /nfs/dbraw/zinc/18/84/46/563188446.db2.gz JVGWVQMUBLWOAG-OAQYLSRUSA-N 1 0 461.046 5.657 1 0 JKAFRO O=C(/C=C/c1cccc2ccccc12)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000045322294 563188487 /nfs/dbraw/zinc/18/84/87/563188487.db2.gz DJDWIWZLHKJSEN-FOCLMDBBSA-N 1 0 465.641 6.500 1 0 JKAFRO CCC[N@@H+](Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1)CC(C)C ZINC000045322565 563188589 /nfs/dbraw/zinc/18/85/89/563188589.db2.gz JMLRNWMIXJECGB-UHFFFAOYSA-N 1 0 450.598 5.677 1 0 JKAFRO COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000045322766 563188666 /nfs/dbraw/zinc/18/86/66/563188666.db2.gz ZKZLPBADBCXMDQ-QGOAFFKASA-N 1 0 472.629 6.512 1 0 JKAFRO O=C(NC[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1)c1cc(-c2cccc(F)c2)cs1 ZINC000045323078 563188769 /nfs/dbraw/zinc/18/87/69/563188769.db2.gz OYSVHZCQBNCSJG-KRWDZBQOSA-N 1 0 462.512 5.825 1 0 JKAFRO CN(C)c1ccc(-c2csc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccc(C(C)(C)C)cc4)C3)c2)cc1 ZINC000045323084 563188799 /nfs/dbraw/zinc/18/87/99/563188799.db2.gz XOJYNUSUDSBFHB-QFIPXVFZSA-N 1 0 475.702 6.031 1 0 JKAFRO Cc1cc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)nc(NCCc2cccs2)[nH+]1 ZINC000045323824 563188972 /nfs/dbraw/zinc/18/89/72/563188972.db2.gz KZWJMXVJPROBKQ-QHCPKHFHSA-N 1 0 457.603 5.163 1 0 JKAFRO COc1cccc(C(=O)[C@@H]2C[C@@H]2C[N@H+]2CC=C(c3c[nH]c4cccc(Br)c43)CC2)c1 ZINC000045324617 563189278 /nfs/dbraw/zinc/18/92/78/563189278.db2.gz MXEWUAJHINAMCA-UYAOXDASSA-N 1 0 465.391 5.547 1 0 JKAFRO CCCCCCNC(=O)[C@H]1Cc2c3ccc(Cl)cc3[nH]c2C2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000045334357 563189348 /nfs/dbraw/zinc/18/93/48/563189348.db2.gz GQKLOORTSAINCZ-AREMUKBSSA-N 1 0 493.095 5.523 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 ZINC000045334481 563189475 /nfs/dbraw/zinc/18/94/75/563189475.db2.gz KHWJHELWRMHHIY-VWLOTQADSA-N 1 0 464.650 6.636 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 ZINC000045334483 563189480 /nfs/dbraw/zinc/18/94/80/563189480.db2.gz KHWJHELWRMHHIY-RUZDIDTESA-N 1 0 464.650 6.636 1 0 JKAFRO O=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccc(-c2cccnc2)cc1 ZINC000045334714 563189613 /nfs/dbraw/zinc/18/96/13/563189613.db2.gz PQJMJHJMYSINRB-UHFFFAOYSA-N 1 0 466.629 6.010 1 0 JKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000045335237 563189851 /nfs/dbraw/zinc/18/98/51/563189851.db2.gz QDOFQXDSZXUESN-NTEUORMPSA-N 1 0 486.578 6.034 1 0 JKAFRO Cc1cc(NS(=O)(=O)c2cccc([C@@H](C)N3CCC([NH+]4CCCC4)CC3)c2)ccc1C(C)C ZINC000045335158 563189887 /nfs/dbraw/zinc/18/98/87/563189887.db2.gz OTPODGZSHMTCLX-JOCHJYFZSA-N 1 0 469.695 5.540 1 0 JKAFRO C[C@H]1C[C@H]([NH2+]CCCNc2cc(=O)c3ccccc3[nH]2)c2c1c(Cl)cc(Cl)c2Cl ZINC000045335322 563190004 /nfs/dbraw/zinc/19/00/04/563190004.db2.gz CTPVOQBGROMYPN-SJCJKPOMSA-N 1 0 450.797 6.128 1 0 JKAFRO COCC[NH2+]Cc1cccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3cccnc3)cc2)c1 ZINC000045336807 563190321 /nfs/dbraw/zinc/19/03/21/563190321.db2.gz RDJGBZXPGUCPFB-UHFFFAOYSA-N 1 0 476.580 6.569 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045337819 563190612 /nfs/dbraw/zinc/19/06/12/563190612.db2.gz ZQAAWHXQAJIKPK-HSZRJFAPSA-N 1 0 464.650 6.636 1 0 JKAFRO O=C(NCc1ccc(Cl)c(Cl)c1)c1cccc([C@H]2CCC[N@H+](Cc3ccc4[nH]cnc4c3)C2)c1 ZINC000045339518 563191025 /nfs/dbraw/zinc/19/10/25/563191025.db2.gz NIIRZNWFTAPVPI-QFIPXVFZSA-N 1 0 493.438 6.179 1 0 JKAFRO COc1ccc(/C=C/C(=O)N2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc1OC ZINC000045339514 563191049 /nfs/dbraw/zinc/19/10/49/563191049.db2.gz NZIIVVPKHLAHDV-CSKARUKUSA-N 1 0 487.644 5.317 1 0 JKAFRO O=C(NCc1ccc(Cl)c(Cl)c1)c1cccc([C@@H]2CCC[N@H+](Cc3ccc4[nH]cnc4c3)C2)c1 ZINC000045339516 563191064 /nfs/dbraw/zinc/19/10/64/563191064.db2.gz NIIRZNWFTAPVPI-JOCHJYFZSA-N 1 0 493.438 6.179 1 0 JKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5c4cccc5F)cnc3-c3ccoc3)cc12 ZINC000045339932 563191256 /nfs/dbraw/zinc/19/12/56/563191256.db2.gz QSOVJRDSOIJUES-FQEVSTJZSA-N 1 0 481.531 5.763 1 0 JKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3C)cc12 ZINC000045353228 563192140 /nfs/dbraw/zinc/19/21/40/563192140.db2.gz HBTLOTJSWHAONE-NRFANRHFSA-N 1 0 477.568 5.932 1 0 JKAFRO COC(=O)CC[C@@H](Oc1cccc(-c2ccc3sc(C(N)=[NH2+])cc3c2)c1)c1ccc(Cl)cc1 ZINC000045355687 563192280 /nfs/dbraw/zinc/19/22/80/563192280.db2.gz TUCPVCINIMFUMB-JOCHJYFZSA-N 1 0 479.001 6.579 1 0 JKAFRO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000045365779 563193031 /nfs/dbraw/zinc/19/30/31/563193031.db2.gz PSEHTODILBVIHC-UMSFTDKQSA-N 1 0 488.675 6.759 1 0 JKAFRO C(=C(c1cccs1)c1cccs1)c1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045365981 563193056 /nfs/dbraw/zinc/19/30/56/563193056.db2.gz LUDIDJZIYUEUKH-UHFFFAOYSA-N 1 0 470.707 7.153 1 0 JKAFRO COC(=O)C[C@H](Oc1cccc(-c2ccc3sc(C(N)=[NH2+])cc3c2)c1)c1ccc(Cl)cc1 ZINC000045367469 563193232 /nfs/dbraw/zinc/19/32/32/563193232.db2.gz OWPDWZYDCXEQLL-NRFANRHFSA-N 1 0 464.974 6.189 1 0 JKAFRO O[C@]1(c2ccc(Cl)cc2)CCC[N@H+](CCCN2Cc3ccccc3CCc3ccccc32)C1 ZINC000045367311 563193255 /nfs/dbraw/zinc/19/32/55/563193255.db2.gz ZGQISSOJKMZEHY-GDLZYMKVSA-N 1 0 461.049 5.819 1 0 JKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c2ccccc2)s1 ZINC000045370929 563193683 /nfs/dbraw/zinc/19/36/83/563193683.db2.gz GKRCHWBIEBSANV-VWLOTQADSA-N 1 0 498.608 5.180 1 0 JKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c2ccccc2)s1 ZINC000045370933 563193700 /nfs/dbraw/zinc/19/37/00/563193700.db2.gz GKRCHWBIEBSANV-RUZDIDTESA-N 1 0 498.608 5.180 1 0 JKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCCN2Cc3ccccc3CCc3ccccc32)CC1 ZINC000045388550 563194804 /nfs/dbraw/zinc/19/48/04/563194804.db2.gz YYXBMROAMHLPEM-UHFFFAOYSA-N 1 0 461.049 5.819 1 0 JKAFRO O=C1c2cc(O)ccc2-c2c1c1cc(F)ccc1nc2-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000045389200 563194909 /nfs/dbraw/zinc/19/49/09/563194909.db2.gz WOYKRZAICBUSRU-UHFFFAOYSA-N 1 0 468.528 5.823 1 0 JKAFRO C[N@@H+]1CCC[C@H]([C@@H](c2ccccc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)C1 ZINC000045389967 563194988 /nfs/dbraw/zinc/19/49/88/563194988.db2.gz KGKFKQGQYIUQAL-BHDXBOSCSA-N 1 0 481.684 5.436 1 0 JKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5cccnc45)cnc3-c3ccoc3)cc12 ZINC000045389978 563195003 /nfs/dbraw/zinc/19/50/03/563195003.db2.gz XXVNKFJYPJJEPN-FQEVSTJZSA-N 1 0 464.529 5.018 1 0 JKAFRO COc1ccc2cc3[n+](cc2c1OCCCCOc1ccccc1)CCc1cc2c(cc1-3)OCO2 ZINC000045392440 563195162 /nfs/dbraw/zinc/19/51/62/563195162.db2.gz BKMOSBYJXKOCTP-UHFFFAOYSA-N 1 0 470.545 5.326 1 0 in-vivo JKAFRO CCCC(=O)CCCCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1nc(-c2ccc3ccccc3c2)c[nH]1 ZINC000045496051 563195642 /nfs/dbraw/zinc/19/56/42/563195642.db2.gz OMJUQONVNINAJG-MHZLTWQESA-N 1 0 488.676 6.049 1 0 JKAFRO COc1cc2nc(N3CCC[N@@H+](C4CCCCC4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000045497367 563196000 /nfs/dbraw/zinc/19/60/00/563196000.db2.gz GWZYSTTVDWYLEX-UHFFFAOYSA-N 1 0 496.055 5.889 1 0 JKAFRO CN(CC(=O)N(C)[C@H](C[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000045497206 563196030 /nfs/dbraw/zinc/19/60/30/563196030.db2.gz FCGNBJORLIKCKE-HHHXNRCGSA-N 1 0 496.482 6.392 1 0 JKAFRO Cc1cccc(C)c1N1CCN(C(=O)CC[N@H+](C)CCC2c3ccccc3-c3ccccc32)CC1 ZINC000045505981 563196378 /nfs/dbraw/zinc/19/63/78/563196378.db2.gz CQYMKGPLXROPER-UHFFFAOYSA-N 1 0 467.657 5.477 1 0 JKAFRO CCOc1cc(C[NH+]2CCC(Nc3nc4cc(OC(F)(F)F)ccc4o3)CC2)ccc1OC ZINC000048999374 563196836 /nfs/dbraw/zinc/19/68/36/563196836.db2.gz YMMLLSRPFOPFHZ-UHFFFAOYSA-N 1 0 465.472 5.210 1 0 in-vitro JKAFRO c1ccc(-c2ccccc2OCC[NH2+]C[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000049017348 563197382 /nfs/dbraw/zinc/19/73/82/563197382.db2.gz QTXPSJZUMKDMGD-HHHXNRCGSA-N 1 0 451.566 5.639 1 0 JKAFRO CC(C)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(CC(C)(C)[NH3+])cc3)cc2)cc1 ZINC000049017376 563197393 /nfs/dbraw/zinc/19/73/93/563197393.db2.gz RFGKYVKBBOHMEL-UHFFFAOYSA-N 1 0 480.634 5.535 1 0 JKAFRO CCOc1cc(C[NH+]2CCC(Nc3nc4cc(NC(=O)C5CCC5)ccc4o3)CC2)ccc1OC ZINC000049016965 563197404 /nfs/dbraw/zinc/19/74/04/563197404.db2.gz YTIWDXUZCLTCIF-UHFFFAOYSA-N 1 0 478.593 5.050 1 0 in-vitro JKAFRO CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)[NH2+]CC)cc2)cc1 ZINC000049019035 563197559 /nfs/dbraw/zinc/19/75/59/563197559.db2.gz QYENYBTUVWOIOP-UHFFFAOYSA-N 1 0 474.671 5.120 1 0 JKAFRO CC1(C)Cc2[nH+]c(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c(N3CCCC3)c2[C@@H](O)C1 ZINC000049032796 563198037 /nfs/dbraw/zinc/19/80/37/563198037.db2.gz TUTRAVGBVYSWPO-NRFANRHFSA-N 1 0 486.578 6.595 1 0 JKAFRO CCCCc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](CCc4ccccc4)[C@@H]2N3C)cc1 ZINC000049032906 563198141 /nfs/dbraw/zinc/19/81/41/563198141.db2.gz LTVWGVAZZIYYJG-SMCANUKXSA-N 1 0 483.656 6.622 1 0 JKAFRO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1Cl)CC1CC1 ZINC000049037720 563199268 /nfs/dbraw/zinc/19/92/68/563199268.db2.gz GXHPILVBDANGNP-UHFFFAOYSA-N 1 0 473.370 6.689 1 0 JKAFRO Cc1cc(N2C[C@@H]3C[C@H]2C[N@H+]3C)ccc1-c1ccnc2c(-c3cccc(O)c3)c(-c3ccncc3)nn21 ZINC000049050779 563200024 /nfs/dbraw/zinc/20/00/24/563200024.db2.gz RRSJWNKMMLAHOA-ZEQRLZLVSA-N 1 0 488.595 5.032 1 0 JKAFRO Oc1ccc2c(c1)O[C@@H](c1ccc(OCC[NH+]3CCCCCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000049054495 563200484 /nfs/dbraw/zinc/20/04/84/563200484.db2.gz BPBTXNNZEZVAIO-HKBQPEDESA-N 1 0 499.607 6.180 1 0 JKAFRO Oc1ccc(C[N@H+](Cc2ccc(C(F)(F)F)cc2)Cc2cccc3ncccc23)c2cccnc12 ZINC000049054537 563200508 /nfs/dbraw/zinc/20/05/08/563200508.db2.gz ZOFUWIAXSHYUFC-UHFFFAOYSA-N 1 0 473.498 6.710 1 0 JKAFRO Oc1ccc2c(c1)OCCC1=C2[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2ccccc21 ZINC000049054983 563200612 /nfs/dbraw/zinc/20/06/12/563200612.db2.gz UHHJAEWQYDXZDY-PMERELPUSA-N 1 0 469.581 6.084 1 0 JKAFRO Oc1ccc2c(c1)O[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000049067051 563200760 /nfs/dbraw/zinc/20/07/60/563200760.db2.gz OFYZVZJXVRFMIW-PMERELPUSA-N 1 0 485.580 5.790 1 0 JKAFRO COc1cc2cccnc2c(N2CC[NH+](C3CCN(c4ccc(F)c5c(C)cc(C)nc45)CC3)CC2)c1 ZINC000049089088 563201840 /nfs/dbraw/zinc/20/18/40/563201840.db2.gz GNNYYPQOLAQITN-UHFFFAOYSA-N 1 0 499.634 5.339 1 0 JKAFRO CCn1cc(-c2ccnc3[nH]c(C[NH+](C)C)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049089473 563201976 /nfs/dbraw/zinc/20/19/76/563201976.db2.gz BTQCPHBDUJMLMF-UHFFFAOYSA-N 1 0 479.588 5.819 1 0 JKAFRO Oc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCCCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000049113466 563202724 /nfs/dbraw/zinc/20/27/24/563202724.db2.gz BPBTXNNZEZVAIO-WJOKGBTCSA-N 1 0 499.607 6.180 1 0 JKAFRO c1nc2ccccc2n1CN(Cc1ccc(C[NH2+]Cc2ccccn2)cc1)[C@@H]1CCCc2cccnc21 ZINC000049114633 563202754 /nfs/dbraw/zinc/20/27/54/563202754.db2.gz NHPIYFUDHGYGLC-SSEXGKCCSA-N 1 0 488.639 5.653 1 0 JKAFRO [NH3+][C@@H]1CCc2c(c3cc(OCCc4ccc(O)cc4)ccc3n2CCCCCc2ccccc2)C1 ZINC000049114298 563202779 /nfs/dbraw/zinc/20/27/79/563202779.db2.gz PGZRUXOTUOXUCU-RUZDIDTESA-N 1 0 468.641 6.197 1 0 JKAFRO O[C@@H](COc1ccccc1)COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000049785466 563203757 /nfs/dbraw/zinc/20/37/57/563203757.db2.gz IUABQYRNMVGELB-ZVVQJCKGSA-N 1 0 461.646 5.364 1 0 JKAFRO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCC[NH+](C)C)cc43)ccc2s1 ZINC000049803034 563204089 /nfs/dbraw/zinc/20/40/89/563204089.db2.gz OHTOOTGGVIOMAQ-UHFFFAOYSA-N 1 0 480.590 5.104 1 0 JKAFRO COc1ccc2cc3[n+](cc2c1OCCCOc1ccc(Cl)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000049803477 563204174 /nfs/dbraw/zinc/20/41/74/563204174.db2.gz JJPOWRAZNKDAPG-UHFFFAOYSA-N 1 0 490.963 5.589 1 0 JKAFRO CCN(C(=O)NCc1cccc(F)c1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000049918287 563204700 /nfs/dbraw/zinc/20/47/00/563204700.db2.gz RJOMTXOEQRAMOI-UHFFFAOYSA-N 1 0 473.636 6.044 1 0 JKAFRO CCN(C(=O)NCc1ccc(F)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000049918285 563204701 /nfs/dbraw/zinc/20/47/01/563204701.db2.gz WUZQKQAXXKMHJZ-UHFFFAOYSA-N 1 0 473.636 6.044 1 0 JKAFRO CC(C)Nc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CC[N@H+](C)CC2 ZINC000052988078 563204887 /nfs/dbraw/zinc/20/48/87/563204887.db2.gz LQYNONCEAYAGNN-UHFFFAOYSA-N 1 0 484.065 5.659 1 0 JKAFRO CC(C)Oc1ccccc1N1CC[NH+](C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 ZINC000053050488 563204941 /nfs/dbraw/zinc/20/49/41/563204941.db2.gz GRLCSEWTOACLTP-UHFFFAOYSA-N 1 0 472.580 5.007 1 0 JKAFRO CC[C@H]1CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1C ZINC000053064463 563205024 /nfs/dbraw/zinc/20/50/24/563205024.db2.gz YFVKRDMXSKCSGH-HDEPLQKNSA-N 1 0 473.661 5.750 1 0 JKAFRO CCCc1nc(-c2ccccc2)c(C[NH2+]CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000053312943 563205829 /nfs/dbraw/zinc/20/58/29/563205829.db2.gz NHFAGHAKYQEPJP-UHFFFAOYSA-N 1 0 472.555 5.225 1 0 JKAFRO CC1(NC(=O)C2CCCCC2)CC[NH+](CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1 ZINC000053314020 563205858 /nfs/dbraw/zinc/20/58/58/563205858.db2.gz ATGWGVUKDPJYPX-SANMLTNESA-N 1 0 485.688 5.504 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCC[C@H](CO[C@H](c3ccccc3)c3ccc(Cl)cc3)C2)cc1 ZINC000058497747 563206614 /nfs/dbraw/zinc/20/66/14/563206614.db2.gz HHXIVTDTGMKZMG-NEKDWFFYSA-N 1 0 450.022 6.409 1 0 JKAFRO COc1ccc2c3c1O[C@H]1C(=O)[C@](C)(CCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000058491716 563206642 /nfs/dbraw/zinc/20/66/42/563206642.db2.gz UUWZNLIYKOSSSK-ACQFTYSRSA-N 1 0 485.668 5.743 1 0 JKAFRO Cc1c(C[NH+]2CCCC2)cc(-c2ccc(C(F)(F)F)cc2)n1Nc1ccnc2cc(Cl)ccc21 ZINC000058580896 563207713 /nfs/dbraw/zinc/20/77/13/563207713.db2.gz CXFQDPPVGWQFGQ-UHFFFAOYSA-N 1 0 484.953 7.155 1 0 JKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCc3nc4ccccc4n3-c3ccc(F)cc3)CC2)c1 ZINC000058591782 563208185 /nfs/dbraw/zinc/20/81/85/563208185.db2.gz PLBUWRAQUFITGN-UHFFFAOYSA-N 1 0 456.565 5.545 1 0 JKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3-c3ccccc3)CC2)c1 ZINC000058592814 563208280 /nfs/dbraw/zinc/20/82/80/563208280.db2.gz KQIUBTAVIPAELX-UHFFFAOYSA-N 1 0 467.617 5.666 1 0 JKAFRO C[C@]1(CCc2ccccc2)N=C(Nc2ccc(Cl)cc2)NC(=[NH2+])[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000059686618 563209148 /nfs/dbraw/zinc/20/91/48/563209148.db2.gz QHAVMPAHAWFUEB-WIOPSUGQSA-N 1 0 485.846 6.961 1 0 JKAFRO [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000061904753 563210214 /nfs/dbraw/zinc/21/02/14/563210214.db2.gz VPQRTXSQAMEBLE-LJQANCHMSA-N 1 0 498.530 6.841 3 0 JKAFRO Cc1cccnc1[C@H](NC(=O)C1CC[NH+](Cc2ccc3ccccc3n2)CC1)c1ccc(Cl)cc1 ZINC000061905550 563210317 /nfs/dbraw/zinc/21/03/17/563210317.db2.gz GZFZOISGFAEDKV-MUUNZHRXSA-N 1 0 485.031 5.709 3 0 JKAFRO [NH3+][C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cc(NCc3ccco3)ncn2)n1 ZINC000061905833 563210405 /nfs/dbraw/zinc/21/04/05/563210405.db2.gz LVTZYTQNPZWWBO-INIZCTEOSA-N 1 0 460.485 5.143 3 0 JKAFRO COc1ccccc1[C@H](NC(=O)C1CC[NH+](CCOc2ccc3ccccc3c2)CC1)c1ccccn1 ZINC000061906511 563210471 /nfs/dbraw/zinc/21/04/71/563210471.db2.gz SVBACIABTPBUKV-PMERELPUSA-N 1 0 495.623 5.240 3 0 JKAFRO COc1ccc(OCC[NH+]2CCC(C(=O)N[C@H](c3ccsc3)c3ccccc3C)CC2)cc1 ZINC000061907415 563210640 /nfs/dbraw/zinc/21/06/40/563210640.db2.gz CXNWGEMAATUFHP-AREMUKBSSA-N 1 0 464.631 5.062 3 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3ccccc3-c3ccccc3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000087666882 581100703 /nfs/dbraw/zinc/10/07/03/581100703.db2.gz PHIKTZJVOVUJJS-ZRXRSDKNSA-N 1 0 489.615 7.138 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3oc(C)cc3C(=O)N(C)C)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823558 581100750 /nfs/dbraw/zinc/10/07/50/581100750.db2.gz HIHJSISXWCVUQG-CSAOALJCSA-N 1 0 488.584 5.074 1 0 JKAFRO CC(C)C[C@@H]1CC[C@@]2(C1)C[C@@H](Cc1ccc(N)nc1)C[C@H]([C@@]13CC[C@@H](C(C)(C)O1)[C@]([NH3+])(CCO)C3)C2 ZINC000085543192 291565126 /nfs/dbraw/zinc/56/51/26/291565126.db2.gz GXWSFFWNPPLHIM-OZOWZCLZSA-N 1 0 497.768 5.883 1 0 biogenic,in-vitro JKAFRO CC(C)CC[C@H]1CC2(CCCC2)[C@H]2[NH2+][C@@H]([C@@H]3C[C@H]([C@H](C)c4ccc(C=O)cc4)N4C[C@]34O)CC[C@H]12 ZINC000085547785 291564711 /nfs/dbraw/zinc/56/47/11/291564711.db2.gz MHBPROXSZLVFMY-MXRNJTNFSA-N 1 0 478.721 5.749 1 0 biogenic,in-vitro JKAFRO CCCCC[C@H](O)C[C@@H](CCc1ccc(O)c(O[C@H]2CC[NH2+]C3(CCCC3)C2)c1)OC(C)=O ZINC000085628431 291580980 /nfs/dbraw/zinc/58/09/80/291580980.db2.gz XWYFECIVUZLWHM-VXNXHJTFSA-N 1 0 461.643 5.031 1 0 biogenic,in-vitro JKAFRO COc1ccc(OCc2n(C)c3ccccc3[n+]2CC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000013635119 524976695 /nfs/dbraw/zinc/97/66/95/524976695.db2.gz YBINXMKLOILQMU-WIOYSNFSSA-N 1 0 465.614 5.057 1 0 JKAFRO CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](C)[NH2+]1 ZINC000084153995 560046160 /nfs/dbraw/zinc/04/61/60/560046160.db2.gz JYWAIDLXXUTYAT-DIUFISARSA-N 1 0 471.682 6.728 1 0 biogenic,in-vitro JKAFRO C[C@]1(C2CCCC2)O[C@@]2([C@@H]3C[C@H](Cc4ccc(N)nc4)CC4(CCCC4)C3)CC[C@@H]1[C@H]([NH3+])C2 ZINC000085543245 560071094 /nfs/dbraw/zinc/07/10/94/560071094.db2.gz MYMCTRUTBPFCTA-VYJUQIHUSA-N 1 0 451.699 6.028 1 0 biogenic,in-vitro JKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@@H+]3[C@H]([C@@H](O)CC[C@H](C)C4CCCCC4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532576 560072559 /nfs/dbraw/zinc/07/25/59/560072559.db2.gz CSTIQQXCBXAXJZ-LSSALJRXSA-N 1 0 499.692 5.826 1 0 biogenic,in-vitro JKAFRO COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)(CC4CCCCC4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@H+]34 ZINC000085532565 560072591 /nfs/dbraw/zinc/07/25/91/560072591.db2.gz XQMSSTQHXFGQKN-PIBLOMKESA-N 1 0 483.649 5.332 1 0 biogenic,in-vitro JKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000000602724 562918600 /nfs/dbraw/zinc/91/86/00/562918600.db2.gz DUHKLVFIUNWXHX-UHFFFAOYSA-N 1 0 463.969 5.025 1 0 JKAFRO O=C(NC1CCC(CC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1cccs1 ZINC000001485407 562920148 /nfs/dbraw/zinc/92/01/48/562920148.db2.gz KJOFXQKVGTXQTK-UHFFFAOYSA-N 1 0 466.478 5.556 1 0 JKAFRO C[NH+]1C(C)(C)CC(NC(=O)c2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)CC1(C)C ZINC000001493731 562920376 /nfs/dbraw/zinc/92/03/76/562920376.db2.gz IAEQQGLRMUVDOU-UHFFFAOYSA-N 1 0 459.421 5.918 1 0 JKAFRO CC/C(=C(\c1ccc(I)cc1)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000001532942 562920469 /nfs/dbraw/zinc/92/04/69/562920469.db2.gz BSZGETWFQDIDDX-QPLCGJKRSA-N 1 0 497.420 6.601 1 0 JKAFRO CC/C(=C(/c1ccc(OCC[NH+](C)C)cc1)c1cccc(I)c1)c1ccccc1 ZINC000001533057 562920474 /nfs/dbraw/zinc/92/04/74/562920474.db2.gz JXGKDMBVOAZRLI-OCEACIFDSA-N 1 0 497.420 6.601 1 0 JKAFRO Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000001543842 562920965 /nfs/dbraw/zinc/92/09/65/562920965.db2.gz SSQLMQBZAPRIRS-UHFFFAOYSA-N 1 0 453.582 6.374 1 0 JKAFRO COc1cc(NC[C@@H](C)C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)nc2ccccc21 ZINC000001553147 562921299 /nfs/dbraw/zinc/92/12/99/562921299.db2.gz VQGITYQZZKWJFD-QFIPXVFZSA-N 1 0 464.613 6.084 1 0 JKAFRO O=C1CCc2c(-c3ccc(F)cc3F)cc(C3CC[NH2+]CC3)cc2N1c1c(Cl)cccc1Cl ZINC000001553194 562921371 /nfs/dbraw/zinc/92/13/71/562921371.db2.gz VXIYTVJEIXMAQF-UHFFFAOYSA-N 1 0 487.377 7.017 1 0 in-vivo JKAFRO Br[C@]1(c2ccccc2)C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc21 ZINC000001647042 562922309 /nfs/dbraw/zinc/92/23/09/562922309.db2.gz VXPDLLRHMPFDSJ-HKBQPEDESA-N 1 0 489.436 7.627 1 0 JKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@H](O)[C@@H]2CCCC[NH2+]2)c2cccc(C(F)(F)F)c2n1 ZINC000001728531 562923314 /nfs/dbraw/zinc/92/33/14/562923314.db2.gz XONJCGFSTUUXGQ-RXVVDRJESA-N 1 0 497.439 5.700 1 0 JKAFRO CC(C)[NH2+]C[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1-c1ccccc1 ZINC000001856515 562923501 /nfs/dbraw/zinc/92/35/01/562923501.db2.gz KXCJPASJVHVUTQ-NDEPHWFRSA-N 1 0 467.609 6.543 1 0 JKAFRO Fc1ccc(C(c2ccc(F)cc2)C2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)cc1 ZINC000001890138 562923956 /nfs/dbraw/zinc/92/39/56/562923956.db2.gz AVVPKERRLYTNNY-UHFFFAOYSA-N 1 0 455.976 6.931 1 0 JKAFRO Cc1cc(F)ccc1Nc1nc2ccc(OCCC[NH+](C)C)cc2c(N(C)c2ccccc2)n1 ZINC000001905563 562924069 /nfs/dbraw/zinc/92/40/69/562924069.db2.gz FKLRFZZNODMAAU-UHFFFAOYSA-N 1 0 459.569 5.919 1 0 JKAFRO CC(c1ccc([S@](=O)C(C)C)cc1)=C1CC[NH+](C2CCN(C(=O)c3cccc(C)c3N)CC2)CC1 ZINC000001912594 562924206 /nfs/dbraw/zinc/92/42/06/562924206.db2.gz XJRLOGFGFIUPDO-DHUJRADRSA-N 1 0 493.717 5.267 1 0 JKAFRO O[C@@H](C[NH2+]CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2ccccc21 ZINC000002004806 562924368 /nfs/dbraw/zinc/92/43/68/562924368.db2.gz HMJGAZFZEHOLTD-IGKIAQTJSA-N 1 0 495.541 6.398 1 0 JKAFRO Cc1cccc2c1cc(C(=O)NCc1cc(Cl)cc(Cl)c1)n2Cc1cccc(C(N)=[NH2+])c1 ZINC000002047778 562924632 /nfs/dbraw/zinc/92/46/32/562924632.db2.gz YAAKSJLUBVPBIM-UHFFFAOYSA-N 1 0 465.384 5.519 1 0 in-vitro JKAFRO Cc1c(C(=O)c2nc3ccccc3n2C(C)C)oc2cccc(OCCC[NH2+]Cc3cccnc3)c12 ZINC000003588054 562927249 /nfs/dbraw/zinc/92/72/49/562927249.db2.gz NLFGVTSEQYLZGU-UHFFFAOYSA-N 1 0 482.584 5.857 1 0 JKAFRO Cc1ccc(O)c(NCCC[NH+]2CCC([C@](O)(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000003783523 562927942 /nfs/dbraw/zinc/92/79/42/562927942.db2.gz ABUYFUJGCNZMKE-NDEPHWFRSA-N 1 0 465.037 5.804 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2cc3ccccc3nc2C(C)C)cc1 ZINC000003787702 562928043 /nfs/dbraw/zinc/92/80/43/562928043.db2.gz WKNRGRCXVFHZJR-UHFFFAOYSA-N 1 0 496.717 6.862 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2Cc2ccccc2)c1 ZINC000003806113 562928556 /nfs/dbraw/zinc/92/85/56/562928556.db2.gz WQZUOBIIPDZRJP-WUFINQPMSA-N 1 0 463.625 5.857 1 0 investigational JKAFRO Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(OCCC[NH+](C)C)cc3)nc21 ZINC000003815489 562928878 /nfs/dbraw/zinc/92/88/78/562928878.db2.gz KSCDJRWPBJOREH-UHFFFAOYSA-N 1 0 498.414 5.376 1 0 JKAFRO C[N@@H+](CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 ZINC000003816239 562928884 /nfs/dbraw/zinc/92/88/84/562928884.db2.gz NBHZBFZQSHJQHE-UHFFFAOYSA-N 1 0 475.583 5.138 1 0 JKAFRO CC[NH2+]CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 ZINC000003815501 562928923 /nfs/dbraw/zinc/92/89/23/562928923.db2.gz HNDIVAFUXDXTDZ-UHFFFAOYSA-N 1 0 484.387 5.034 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1C1CCCCC1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000003816592 562928994 /nfs/dbraw/zinc/92/89/94/562928994.db2.gz IZGMIMKTZXSTLH-UHFFFAOYSA-N 1 0 463.643 6.750 1 0 JKAFRO C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000003819177 562929137 /nfs/dbraw/zinc/92/91/37/562929137.db2.gz HQIHZXMANDEWIH-GSGOWXKQSA-N 1 0 477.626 6.174 1 0 JKAFRO O=C(CC[NH+]1CCCCC1)Nc1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)cc1 ZINC000003832145 562929588 /nfs/dbraw/zinc/92/95/88/562929588.db2.gz LRORQQTXWGALKE-UHFFFAOYSA-N 1 0 450.586 6.225 1 0 JKAFRO COc1cc2c(cc1OC[C@@H]1CCC[N@H+](C)C1)ncnc2Nc1ccc(Br)cc1F ZINC000003834192 562929647 /nfs/dbraw/zinc/92/96/47/562929647.db2.gz JFGLOXKNWPNMQT-CQSZACIVSA-N 1 0 475.362 5.004 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000003916933 562929779 /nfs/dbraw/zinc/92/97/79/562929779.db2.gz BALBRXHVFNIXBS-AREMUKBSSA-N 1 0 497.104 6.014 1 0 JKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@@H](c3cc4c(cccc4F)s3)C[C@@H]2C)[nH]1 ZINC000003928678 562929989 /nfs/dbraw/zinc/92/99/89/562929989.db2.gz JCVBXOOINMDPNB-OTWHNJEPSA-N 1 0 452.595 5.838 1 0 JKAFRO Cc1ccc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)Nc2ccccc2)cc1C ZINC000003948544 562930558 /nfs/dbraw/zinc/93/05/58/562930558.db2.gz AENNLOUNPCFAFV-UHFFFAOYSA-N 1 0 472.589 5.565 1 0 JKAFRO Oc1ccc2c(ccc3c2[C@H](c2ccc(OCC[NH+]4CCCCC4)cc2)c2cc(O)ccc2C3)c1 ZINC000003948510 562930587 /nfs/dbraw/zinc/93/05/87/562930587.db2.gz OEVSLFVSLIUCMB-SSEXGKCCSA-N 1 0 465.593 6.200 1 0 JKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000003956363 562930880 /nfs/dbraw/zinc/93/08/80/562930880.db2.gz OWIWMIVKGUWBOV-UHFFFAOYSA-N 1 0 484.484 6.243 1 0 JKAFRO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000003955964 562930933 /nfs/dbraw/zinc/93/09/33/562930933.db2.gz SIYWRTMUIWZFHI-QFIPXVFZSA-N 1 0 470.457 5.853 1 0 JKAFRO COc1ccc(N2Cc3c(c4cc(Cl)c(Cl)cc4n3C)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000003987583 562931601 /nfs/dbraw/zinc/93/16/01/562931601.db2.gz PTDVPXOIEWMMPL-UHFFFAOYSA-N 1 0 488.415 5.519 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(C(N)=O)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000003988424 562931639 /nfs/dbraw/zinc/93/16/39/562931639.db2.gz YCKPFIZUVGRVLD-UHFFFAOYSA-N 1 0 484.644 5.070 1 0 JKAFRO O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)N1c2ccc(O)cc2CC[C@@H]1c1ccccc1 ZINC000003990401 562931718 /nfs/dbraw/zinc/93/17/18/562931718.db2.gz DMRMYRIKDDOVCY-HHHXNRCGSA-N 1 0 456.586 5.591 1 0 JKAFRO O=C(c1ccncc1)N1CCC2(CC1)CC[NH+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000004238031 562932790 /nfs/dbraw/zinc/93/27/90/562932790.db2.gz SAVIVEDTEINZKI-UHFFFAOYSA-N 1 0 485.472 5.638 1 0 JKAFRO CC(=O)O[C@H]1/C(=C/c2ccncc2)C[C@H]2[C@@H]3CC=C4C[C@@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005596998 562934471 /nfs/dbraw/zinc/93/44/71/562934471.db2.gz OJAAWDGEXQJLCI-FPESOCRRSA-N 1 0 474.689 6.434 1 0 JKAFRO Clc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000005596643 562934493 /nfs/dbraw/zinc/93/44/93/562934493.db2.gz YMHLYVNMSKUMPA-VGSWGCGISA-N 1 0 462.852 6.852 1 0 JKAFRO FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Cl)c(Cl)c1)n2C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005596641 562934504 /nfs/dbraw/zinc/93/45/04/562934504.db2.gz UCPNERUEYRHMHX-VGSWGCGISA-N 1 0 496.404 7.217 1 0 JKAFRO O=C(CCC[NH+]1CCC(Nc2ccccc2)(c2nnnn2C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000005741570 562934739 /nfs/dbraw/zinc/93/47/39/562934739.db2.gz UVWIYMDLXRGCDZ-UHFFFAOYSA-N 1 0 490.627 5.384 1 0 JKAFRO Clc1ccc(C2=C(c3ccccc3)[C@@H](c3ccc(Cl)cc3)N3C(=[NH+][C@H]4CCCC[C@@H]43)N2)cc1 ZINC000005832818 562935294 /nfs/dbraw/zinc/93/52/94/562935294.db2.gz YLEVINLUJCOCAK-NLJOTIRTSA-N 1 0 474.435 7.189 1 0 JKAFRO CC(=O)O[C@@H]1[C@H](O[C@H]2CCCCC2(c2ccccc2)c2ccccc2)O[N+](=O)CC12CCCCC2 ZINC000006001985 562935992 /nfs/dbraw/zinc/93/59/92/562935992.db2.gz LMFHUGSYVSOARR-OYUWMTPXSA-N 1 0 477.601 5.667 1 0 JKAFRO CC[C@H]([NH2+][C@@H](C)c1ccccc1)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000006002170 562936054 /nfs/dbraw/zinc/93/60/54/562936054.db2.gz OTSFFBHMKAJEMN-OMLWRBBXSA-N 1 0 481.636 7.007 1 0 JKAFRO COc1ccc(/C=C2\C[C@H]3[C@@H]4CCC5=C[C@@H]([NH+]6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000006040882 562936663 /nfs/dbraw/zinc/93/66/63/562936663.db2.gz YBBAOXVTHGOFAJ-OVMRKUDESA-N 1 0 461.690 6.477 1 0 JKAFRO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000006577613 562937772 /nfs/dbraw/zinc/93/77/72/562937772.db2.gz PHMBDSDPJJTNFK-LAUBAEHRSA-N 1 0 496.007 5.164 3 0 JKAFRO CCCn1c(-c2ccc(F)cc2)nc2c1nc(C)nc2NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008017208 562938419 /nfs/dbraw/zinc/93/84/19/562938419.db2.gz JHTNZCFUHGWKSA-UHFFFAOYSA-N 1 0 458.585 5.427 1 0 JKAFRO CC[NH+](CC)CCC[C@@H](C)n1c(-c2ccccc2)nc2c1nc(C)nc2NCc1ccccc1 ZINC000008017288 562938487 /nfs/dbraw/zinc/93/84/87/562938487.db2.gz FEDXJSOMVFWDKZ-OAQYLSRUSA-N 1 0 456.638 6.097 1 0 JKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(/C=C/c2ccccc2OC)nc2cc(Cl)ccc21 ZINC000008453913 562939453 /nfs/dbraw/zinc/93/94/53/562939453.db2.gz YITVOVVFCFPVHX-NRMGUKERSA-N 1 0 453.030 6.385 1 0 JKAFRO CCOc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+](CC)CC)cc4sc3n2)cc1 ZINC000008588629 562941597 /nfs/dbraw/zinc/94/15/97/562941597.db2.gz XWXGWAFKWKXKQM-UHFFFAOYSA-N 1 0 450.608 5.076 1 0 JKAFRO COc1cccc(-c2cn3c4ccc(C(=O)NC5CC[NH+](Cc6ccccc6)CC5)cc4sc3n2)c1 ZINC000009406516 562956023 /nfs/dbraw/zinc/95/60/23/562956023.db2.gz YTXMJHFHUZFWIX-UHFFFAOYSA-N 1 0 496.636 5.619 1 0 JKAFRO C/C(=C\c1ccco1)CN1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000012030604 562958812 /nfs/dbraw/zinc/95/88/12/562958812.db2.gz DKAUDYJXQZDJDK-CJLVFECKSA-N 1 0 459.590 5.016 1 0 JKAFRO O=C(Nc1ccc(F)c(F)c1)c1cc2cc(C3(O)CC[NH+](Cc4ccccc4F)CC3)ccc2o1 ZINC000012279072 562959481 /nfs/dbraw/zinc/95/94/81/562959481.db2.gz VTHVMWTUXLPXSS-UHFFFAOYSA-N 1 0 480.486 5.586 1 0 JKAFRO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000013131822 562961529 /nfs/dbraw/zinc/96/15/29/562961529.db2.gz PHMBDSDPJJTNFK-DYESRHJHSA-N 1 0 496.007 5.164 3 0 JKAFRO O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000013437313 562962480 /nfs/dbraw/zinc/96/24/80/562962480.db2.gz GZMWGGMRTQFVDM-UHFFFAOYSA-N 1 0 494.863 5.537 1 0 JKAFRO CSc1ccc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)cc1 ZINC000013437534 562962492 /nfs/dbraw/zinc/96/24/92/562962492.db2.gz DKRZJNYTCPPKJJ-UHFFFAOYSA-N 1 0 479.646 6.065 1 0 JKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccnc5ccccc54)CC3)CC2)cc1 ZINC000013440420 562963021 /nfs/dbraw/zinc/96/30/21/562963021.db2.gz YATQKHCXNGROIX-UHFFFAOYSA-N 1 0 487.713 6.295 1 0 JKAFRO CCCC[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CC[N@@H+]1CCCNC(=O)Nc1cccc(C(C)=O)c1 ZINC000013443681 562963887 /nfs/dbraw/zinc/96/38/87/562963887.db2.gz UIBIFUUBDLVHTJ-RTVRTQBESA-N 1 0 479.665 5.275 1 0 JKAFRO CCCN(CC[NH+]1CCCCC1)c1nc(C)nc2c1nn(C)c2-c1ccc(Cl)cc1Cl ZINC000013445135 562964081 /nfs/dbraw/zinc/96/40/81/562964081.db2.gz XRPJHBLEHUEPOX-UHFFFAOYSA-N 1 0 461.441 5.348 1 0 JKAFRO Cc1cc(NCc2ccccc2)c2cc(NC(=O)/C=C/c3ccccc3C(F)(F)F)ccc2[nH+]1 ZINC000013448067 562964484 /nfs/dbraw/zinc/96/44/84/562964484.db2.gz UZBKAOAWCVUGKY-SDNWHVSQSA-N 1 0 461.487 6.826 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2c(C3CC3)cn3ccccc23)cc1 ZINC000013451451 562964696 /nfs/dbraw/zinc/96/46/96/562964696.db2.gz DAKRFGZPLWAKBH-UHFFFAOYSA-N 1 0 482.690 6.321 1 0 JKAFRO Oc1ccc2c(c1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)c1c-2ccc2cc(O)ccc12 ZINC000013451388 562964746 /nfs/dbraw/zinc/96/47/46/562964746.db2.gz SGLLWAFQFIJSAO-GDLZYMKVSA-N 1 0 451.566 6.276 1 0 JKAFRO CC(C)N1CCN(CC[NH+]2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)C1=O ZINC000013452513 562964832 /nfs/dbraw/zinc/96/48/32/562964832.db2.gz ZGDSCXWBGXHUHE-UHFFFAOYSA-N 1 0 483.031 5.748 1 0 JKAFRO CCCC[NH+](CCCC)CCCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1 ZINC000013451515 562964845 /nfs/dbraw/zinc/96/48/45/562964845.db2.gz LZLBWSHLSUXAEM-UHFFFAOYSA-N 1 0 498.733 6.957 1 0 JKAFRO O=c1cc(-c2cccc(Cl)c2)oc2ccc(OCCCCCC[NH+]3CCC(O)CC3)cc12 ZINC000013454418 562964917 /nfs/dbraw/zinc/96/49/17/562964917.db2.gz SLVDSHANYGRJLH-UHFFFAOYSA-N 1 0 455.982 5.509 1 0 JKAFRO O=C1Nc2ccc(Br)c3c2[C@@]1(CCCC[N@H+]1CC=C(c2ccccc2)CC1)CCC3 ZINC000013473723 562966406 /nfs/dbraw/zinc/96/64/06/562966406.db2.gz YSXGSFDZDXWYCG-AREMUKBSSA-N 1 0 465.435 5.935 1 0 JKAFRO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCC1CC[NH2+]CC1 ZINC000013474171 562966578 /nfs/dbraw/zinc/96/65/78/562966578.db2.gz QTEHMOPQNLCPBL-UHFFFAOYSA-N 1 0 452.602 6.068 1 0 JKAFRO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCC1CC[NH2+]CC1 ZINC000013474172 562966642 /nfs/dbraw/zinc/96/66/42/562966642.db2.gz BVUVRJNGHWMKAP-UHFFFAOYSA-N 1 0 466.629 6.458 1 0 JKAFRO COc1cccc(NC(=O)Nc2ccccc2[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000013475763 562967027 /nfs/dbraw/zinc/96/70/27/562967027.db2.gz PXKUWXKCLMVULX-HHHXNRCGSA-N 1 0 459.590 5.327 1 0 JKAFRO CC(=O)c1cccc(NC(=O)Nc2ccccc2CC[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475812 562967031 /nfs/dbraw/zinc/96/70/31/562967031.db2.gz DBMSRNNCDIZQIM-UHFFFAOYSA-N 1 0 473.592 6.170 1 0 JKAFRO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2)CC1)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000013479349 562967474 /nfs/dbraw/zinc/96/74/74/562967474.db2.gz OMIZEPOUBROQPC-AREMUKBSSA-N 1 0 480.649 5.500 1 0 JKAFRO Cc1ccc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000013479363 562967478 /nfs/dbraw/zinc/96/74/78/562967478.db2.gz FGXNHQMRYZXGMJ-MUUNZHRXSA-N 1 0 476.686 5.669 1 0 JKAFRO Cc1ccc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)cc1F ZINC000013479381 562967491 /nfs/dbraw/zinc/96/74/91/562967491.db2.gz NLMHENJRNZNGGT-MHZLTWQESA-N 1 0 494.676 5.808 1 0 JKAFRO COc1ccc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000013479366 562967495 /nfs/dbraw/zinc/96/74/95/562967495.db2.gz GSCLLRMDSOCVGC-MHZLTWQESA-N 1 0 492.685 5.369 1 0 JKAFRO O=C1NCc2c(-c3ccc(F)cc3F)cc(C3CC[NH2+]CC3)cc2N1c1c(Cl)cccc1Cl ZINC000013487116 562967611 /nfs/dbraw/zinc/96/76/11/562967611.db2.gz NEQVXWUMTYNMHH-UHFFFAOYSA-N 1 0 488.365 6.767 1 0 JKAFRO CCCN(c1ccccn1)C1CC[NH+](C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000013487340 562967746 /nfs/dbraw/zinc/96/77/46/562967746.db2.gz FCCZWTBDYBVQPP-LMSSTIIKSA-N 1 0 488.720 5.585 1 0 JKAFRO CC(C)(O)c1ccc([C@@H](O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013489968 562969094 /nfs/dbraw/zinc/96/90/94/562969094.db2.gz DRGRCRRKRGIMMI-LJAQVGFWSA-N 1 0 473.657 5.376 1 0 JKAFRO CC[NH2+]Cc1nc2cc(OCC)c(OCC)cc2c(Nc2cccc(-c3csc(C)n3)c2)n1 ZINC000013490830 562969351 /nfs/dbraw/zinc/96/93/51/562969351.db2.gz BVMOKLDKPAMGSW-UHFFFAOYSA-N 1 0 463.607 5.712 1 0 JKAFRO CO[C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@@H+](CC1CCCCC1)CC[C@]532 ZINC000013492433 562969740 /nfs/dbraw/zinc/96/97/40/562969740.db2.gz PVDXVWFCURTSJH-QVDUQQMDSA-N 1 0 470.613 5.397 1 0 JKAFRO Brc1ccc(C[NH+]2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013494214 562970513 /nfs/dbraw/zinc/97/05/13/562970513.db2.gz PRQJTMVANYBIPV-UHFFFAOYSA-N 1 0 464.447 6.857 1 0 JKAFRO C[C@@]1(c2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(O)cc2CCN1c1ccc(Cl)cc1 ZINC000013523321 562971023 /nfs/dbraw/zinc/97/10/23/562971023.db2.gz AVQUDVSCNKMYFQ-MUUNZHRXSA-N 1 0 463.021 5.846 1 0 JKAFRO CN(C)c1cccc(N2CCc3cc(O)ccc3[C@@]2(C)c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000013523403 562971099 /nfs/dbraw/zinc/97/10/99/562971099.db2.gz RPGDQMYAMWXMLX-WJOKGBTCSA-N 1 0 485.672 5.649 1 0 JKAFRO CC(C)c1ccc(N2CCc3cc(O)ccc3[C@@]2(C)c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000013523334 562971106 /nfs/dbraw/zinc/97/11/06/562971106.db2.gz LNBPRSYIRUMTPD-WJOKGBTCSA-N 1 0 470.657 6.316 1 0 JKAFRO CN(C)c1cccc(N2CCc3cc(O)ccc3[C@]2(C)c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000013523406 562971122 /nfs/dbraw/zinc/97/11/22/562971122.db2.gz RPGDQMYAMWXMLX-HKBQPEDESA-N 1 0 485.672 5.649 1 0 JKAFRO CC(C)c1ccc(N2CCc3cc(O)ccc3[C@@]2(C)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013523345 562971131 /nfs/dbraw/zinc/97/11/31/562971131.db2.gz DKSQEJYZOQNOID-JGCGQSQUSA-N 1 0 484.684 6.707 1 0 JKAFRO CC[N@H+](Cc1ccccc1)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000013525345 562971444 /nfs/dbraw/zinc/97/14/44/562971444.db2.gz XXHMLWITPFYBRZ-UHFFFAOYSA-N 1 0 499.658 7.196 1 0 JKAFRO COc1ccccc1N1CC[NH+](Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1 ZINC000013526147 562971563 /nfs/dbraw/zinc/97/15/63/562971563.db2.gz XIQJOGXXLJYFNE-UHFFFAOYSA-N 1 0 465.597 5.101 1 0 JKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000013529367 562972114 /nfs/dbraw/zinc/97/21/14/562972114.db2.gz FMIVAZYAYOFSEE-MUUNZHRXSA-N 1 0 479.620 5.664 1 0 JKAFRO C/C(=C\C(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1)C(C)C ZINC000013529635 562972141 /nfs/dbraw/zinc/97/21/41/562972141.db2.gz GQPGTQPICSXROA-GGKHHMRBSA-N 1 0 456.759 6.683 1 0 JKAFRO c1[nH]c(CCC(c2ccccc2)c2ccccc2)nc1CC[NH2+]CCCCCc1cccnc1 ZINC000013530336 562972183 /nfs/dbraw/zinc/97/21/83/562972183.db2.gz FLLLBFFMUHXPJP-UHFFFAOYSA-N 1 0 452.646 6.115 1 0 JKAFRO FC(F)(F)c1ccccc1O[C@H](CC[NH+]1CCN(c2nsc3ccccc32)CC1)c1ccccc1 ZINC000013530601 562972243 /nfs/dbraw/zinc/97/22/43/562972243.db2.gz POQLKHGYYNFQPP-HSZRJFAPSA-N 1 0 497.586 6.648 1 0 JKAFRO CN(C[C@H](CC[NH+]1CCC(n2cncn2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534637 562972527 /nfs/dbraw/zinc/97/25/27/562972527.db2.gz DWDYAJWQAYFICQ-NRFANRHFSA-N 1 0 486.447 5.168 1 0 JKAFRO COc1ccc2cc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)sc2c1 ZINC000013535669 562972673 /nfs/dbraw/zinc/97/26/73/562972673.db2.gz CLBIXESACWOVRD-SXLOBPIMSA-N 1 0 450.604 5.399 1 0 JKAFRO C[C@H]1C[C@H](c2cc3c(cccc3C(F)(F)F)s2)CC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535713 562972700 /nfs/dbraw/zinc/97/27/00/562972700.db2.gz IXVXZUNOBJNUJF-KSZLIROESA-N 1 0 488.575 6.409 1 0 JKAFRO C[NH+](C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 ZINC000013537628 562972831 /nfs/dbraw/zinc/97/28/31/562972831.db2.gz JMYQNJICYNDYAT-UHFFFAOYSA-N 1 0 460.668 6.792 1 0 JKAFRO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)CC3)cc12 ZINC000013553510 562973365 /nfs/dbraw/zinc/97/33/65/562973365.db2.gz TZWYKEWIAGWHQI-QMLMGQGISA-N 1 0 472.677 5.572 1 0 JKAFRO CC(C)(C)c1ccc(C2=Cc3ccc(NC(=O)NC4CCCCC4)cc3C3=[NH+]CCCN23)cc1 ZINC000013555265 562973654 /nfs/dbraw/zinc/97/36/54/562973654.db2.gz YWTFRTNUBSJULV-UHFFFAOYSA-N 1 0 456.634 6.402 1 0 JKAFRO c1ccc(CCc2ccc(C3=C(Cc4ccccc4)c4ccccc4C4=[NH+]CCCN43)cc2)cc1 ZINC000013555284 562973714 /nfs/dbraw/zinc/97/37/14/562973714.db2.gz WFDFVRLNWYBFOT-UHFFFAOYSA-N 1 0 454.617 7.049 1 0 JKAFRO Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000013559703 562975039 /nfs/dbraw/zinc/97/50/39/562975039.db2.gz GSOFQIRSCHLMHR-MSQQPOPZSA-N 1 0 471.000 5.692 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Nc3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000013560283 562975232 /nfs/dbraw/zinc/97/52/32/562975232.db2.gz YRVUHYDIBCBIRY-UHFFFAOYSA-N 1 0 481.684 6.542 1 0 JKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Nc3ccc(Br)cc3)CC2)CC1 ZINC000013560280 562975292 /nfs/dbraw/zinc/97/52/92/562975292.db2.gz UWYRPZAYLGOTBK-UHFFFAOYSA-N 1 0 484.482 5.637 1 0 JKAFRO COc1cc(Cl)ccc1N1CC[NH+](CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000013586547 562976734 /nfs/dbraw/zinc/97/67/34/562976734.db2.gz STJAWCYYILSFEK-XMMPIXPASA-N 1 0 470.057 5.225 1 0 JKAFRO COc1cccc2sc([C@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]c(C)cc54)[C@@H](C)C3)cc21 ZINC000013587181 562976887 /nfs/dbraw/zinc/97/68/87/562976887.db2.gz MBTNZOCGXGVNLT-UFYCRDLUSA-N 1 0 464.631 5.707 1 0 JKAFRO Oc1ccc2c(c1)CC[C@@]21C=C(c2ccc(OCCC[NH+]3CCCCC3)cc2)c2cc(O)ccc21 ZINC000013587736 562977269 /nfs/dbraw/zinc/97/72/69/562977269.db2.gz SNMMZZWKIOTEFJ-WJOKGBTCSA-N 1 0 467.609 6.030 1 0 JKAFRO Oc1ccc2c(c1)CC[C@]21C=C(c2ccc(OCC[NH+]3CCCCC3)c(F)c2)c2cc(O)ccc21 ZINC000013587753 562977338 /nfs/dbraw/zinc/97/73/38/562977338.db2.gz WVMNZAJEQFUSRW-PMERELPUSA-N 1 0 471.572 5.779 1 0 JKAFRO OCCOCC[NH2+]Cc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588190 562977468 /nfs/dbraw/zinc/97/74/68/562977468.db2.gz FTHVRWNSFRDQNV-UHFFFAOYSA-N 1 0 458.587 5.287 1 0 JKAFRO NC(=O)C1CC[NH+](Cc2ccc(-c3cc4ncnc(Nc5ccc6[nH]ccc6c5)c4s3)cc2)CC1 ZINC000013588180 562977515 /nfs/dbraw/zinc/97/75/15/562977515.db2.gz PSRIIUUKNWOHQJ-UHFFFAOYSA-N 1 0 482.613 5.281 1 0 JKAFRO C[NH+](C)CCc1ccc(NC(=O)c2cccnc2[S@@](=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000013605247 562978654 /nfs/dbraw/zinc/97/86/54/562978654.db2.gz FJJGXUHRMNTSBX-PGUFJCEWSA-N 1 0 483.637 5.335 1 0 JKAFRO CCCC[C@@H]1Cc2cc(OC)ccc2-c2c(C[NH2+]Cc3ccccc3)c3ccc(OC)cc3n21 ZINC000013606398 562978731 /nfs/dbraw/zinc/97/87/31/562978731.db2.gz VEBGEVVMYXASBM-HSZRJFAPSA-N 1 0 454.614 6.903 1 0 JKAFRO CC[NH+](CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4c(Cl)cccc43)cc12 ZINC000013611730 562979512 /nfs/dbraw/zinc/97/95/12/562979512.db2.gz VBNSQPAQKREKCT-UHFFFAOYSA-N 1 0 456.011 5.660 1 0 JKAFRO COc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613259 562979821 /nfs/dbraw/zinc/97/98/21/562979821.db2.gz UKGNFGQNYLRGJL-WPFOTENUSA-N 1 0 453.602 5.469 1 0 JKAFRO Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1F ZINC000013613274 562979838 /nfs/dbraw/zinc/97/98/38/562979838.db2.gz MQYFAGPXNWMFSN-AOJNWGRGSA-N 1 0 455.593 5.908 1 0 JKAFRO O=C(Nc1ccc2[nH]cnc2c1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613334 562979840 /nfs/dbraw/zinc/97/98/40/562979840.db2.gz ABUUFHZOOKCABN-AWRGLXIESA-N 1 0 463.601 5.337 1 0 JKAFRO O=C(Nc1ccc2cc[nH]c2c1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613309 562979860 /nfs/dbraw/zinc/97/98/60/562979860.db2.gz JDNGVGOBOUSEST-RZPFDVGOSA-N 1 0 462.613 5.942 1 0 JKAFRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(OCCc2ccc(Cl)cn2)c1 ZINC000013643332 562980377 /nfs/dbraw/zinc/98/03/77/562980377.db2.gz AKPBXRZTJLYEEN-UHFFFAOYSA-N 1 0 485.415 5.051 1 0 JKAFRO Cc1cccc2c1cc(C(=O)NC1CC[NH+](C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1 ZINC000013646530 562980716 /nfs/dbraw/zinc/98/07/16/562980716.db2.gz XVKKWLLVLUJXJU-UHFFFAOYSA-N 1 0 497.064 5.971 1 0 JKAFRO CC[NH+](CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(-c3ccccc3)cc2cn1 ZINC000013647851 562980783 /nfs/dbraw/zinc/98/07/83/562980783.db2.gz GMRQZYNUHURXII-UHFFFAOYSA-N 1 0 462.642 5.751 1 0 JKAFRO Cc1ccc(O)c(NCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000013651777 562981674 /nfs/dbraw/zinc/98/16/74/562981674.db2.gz AAXHNJPFQSAGMM-UHFFFAOYSA-N 1 0 466.572 5.429 1 0 JKAFRO Cc1ccc(O)c(NCCC[NH+]2CCC(O[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000013651779 562981677 /nfs/dbraw/zinc/98/16/77/562981677.db2.gz ZWEGPAGUJBSLSJ-MUUNZHRXSA-N 1 0 465.037 6.427 1 0 JKAFRO CCCC[NH+](CCCC)CC[C@@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21 ZINC000013651506 562981679 /nfs/dbraw/zinc/98/16/79/562981679.db2.gz BKNMWNIKIDNCEX-DEOSSOPVSA-N 1 0 490.692 6.064 1 0 JKAFRO CC(C)C[NH+](CC[C@@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(C)C ZINC000013651508 562981690 /nfs/dbraw/zinc/98/16/90/562981690.db2.gz VFTYSBIHTAKJGJ-DEOSSOPVSA-N 1 0 490.692 5.776 1 0 JKAFRO CCCC[NH+](CCCC)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 ZINC000013651513 562981705 /nfs/dbraw/zinc/98/17/05/562981705.db2.gz UXVGOOMOPMHVCR-UHFFFAOYSA-N 1 0 490.692 5.921 1 0 JKAFRO CC(C)C[NH+](CC[C@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(C)C ZINC000013651509 562981718 /nfs/dbraw/zinc/98/17/18/562981718.db2.gz VFTYSBIHTAKJGJ-XMMPIXPASA-N 1 0 490.692 5.776 1 0 JKAFRO COc1cc(OC)c([C@@H](CC[N@@H+]2CCC[C@@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)ccc12 ZINC000013661004 562982155 /nfs/dbraw/zinc/98/21/55/562982155.db2.gz DWPABXSZAMPFCK-KNQAVFIVSA-N 1 0 464.606 5.130 3 0 JKAFRO CC(C)C[N@H+]1CCC(=O)N([C@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000013661682 562982387 /nfs/dbraw/zinc/98/23/87/562982387.db2.gz IEABHKNILNTSFJ-JOCHJYFZSA-N 1 0 461.469 5.473 3 0 JKAFRO Cc1c(C(=O)c2ccccc2I)c2ccccc2n1C[C@@H]1CCCC[N@H+]1C ZINC000013674195 562982908 /nfs/dbraw/zinc/98/29/08/562982908.db2.gz FPYAVJFDESIWFK-KRWDZBQOSA-N 1 0 472.370 5.270 1 0 JKAFRO Oc1ccc2c(c1)OCC1=C2[C@@H](c2ccc(OCC[NH+]3CCCC3)cc2)Oc2cc(O)ccc21 ZINC000013687325 562984519 /nfs/dbraw/zinc/98/45/19/562984519.db2.gz KZCYDDSBBGYLPQ-MUUNZHRXSA-N 1 0 457.526 5.009 1 0 JKAFRO Cc1ccc2c(C3CC[NH+](CCN4CCN(C(C)C)C4=O)CC3)cn(-c3cccc(F)c3)c2c1 ZINC000013731190 562985202 /nfs/dbraw/zinc/98/52/02/562985202.db2.gz KVWQLRMPAWIIEC-UHFFFAOYSA-N 1 0 462.613 5.403 1 0 JKAFRO CC(C)NC(=O)N(C)CC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1 ZINC000013731205 562985220 /nfs/dbraw/zinc/98/52/20/562985220.db2.gz OOQIOHUDMXBFGA-UHFFFAOYSA-N 1 0 471.020 5.652 1 0 JKAFRO CCCCCOc1c(OC)cc(CN(C(C)=O)c2cccc(C[n+]3csc(C)c3)c2)cc1OC ZINC000013731133 562985250 /nfs/dbraw/zinc/98/52/50/562985250.db2.gz IBJVMSQOXZKKHK-UHFFFAOYSA-N 1 0 483.654 5.532 1 0 JKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc(C[NH+](CCO)CCO)c2)CCCC1 ZINC000013736872 562985923 /nfs/dbraw/zinc/98/59/23/562985923.db2.gz SAKLOFOGXYWUIQ-UHFFFAOYSA-N 1 0 495.708 5.354 1 0 JKAFRO Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cc(C(=O)C3CCCCC3)cc3c2n1CCC3 ZINC000013740435 562986699 /nfs/dbraw/zinc/98/66/99/562986699.db2.gz JNBKPDDHIOEPRK-UHFFFAOYSA-N 1 0 484.688 5.727 1 0 JKAFRO Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cc(C(=O)C(C)(C)C)cc3c2n1CCC3 ZINC000013740432 562986772 /nfs/dbraw/zinc/98/67/72/562986772.db2.gz IEDPHZOOSOPEJY-UHFFFAOYSA-N 1 0 458.650 5.193 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCCC[NH+]1CCC(c2noc3cc(Cl)ccc32)CC1 ZINC000013740844 562986915 /nfs/dbraw/zinc/98/69/15/562986915.db2.gz YZFVRDOVVWXHEO-UHFFFAOYSA-N 1 0 456.970 5.731 1 0 JKAFRO Clc1ccc(C/[NH+]=c2\ccn(Cc3ccccc3Cl)c3cc(Cl)ccc32)c(Cl)c1 ZINC000013741407 562987067 /nfs/dbraw/zinc/98/70/67/562987067.db2.gz OYBSFWKFFFMNHU-XAYXJRQQSA-N 1 0 462.207 7.404 1 0 JKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CC3)OCc3ccc(F)cc34)c3ccccc32)cc1 ZINC000013741541 562987107 /nfs/dbraw/zinc/98/71/07/562987107.db2.gz MVLXAYRBVZMIAU-UHFFFAOYSA-N 1 0 472.579 6.753 1 0 JKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CC3)OCc3c4cccc3F)c3ccccc32)cc1 ZINC000013741540 562987109 /nfs/dbraw/zinc/98/71/09/562987109.db2.gz OWMAZZDDARVWIK-UHFFFAOYSA-N 1 0 472.579 6.753 1 0 JKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC4(Cc5ccccc5O4)CC3)c3ccccc32)cc1 ZINC000013741518 562987138 /nfs/dbraw/zinc/98/71/38/562987138.db2.gz UQDQNVDUFYLNNK-UHFFFAOYSA-N 1 0 454.589 6.562 1 0 JKAFRO Clc1ccc(C(OCCC2CC[NH+](CCCc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000013746573 562988183 /nfs/dbraw/zinc/98/81/83/562988183.db2.gz AXXUWCYZHZZTPL-UHFFFAOYSA-N 1 0 482.495 7.834 1 0 JKAFRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c2ccccc21 ZINC000013758035 562988898 /nfs/dbraw/zinc/98/88/98/562988898.db2.gz DTXYGININMLAPB-QHCPKHFHSA-N 1 0 482.411 6.289 1 0 JKAFRO CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 ZINC000013757987 562988907 /nfs/dbraw/zinc/98/89/07/562988907.db2.gz UHCDDZDBVINKTK-SANMLTNESA-N 1 0 455.602 6.071 1 0 JKAFRO C[C@@H]1SC(C)(C)C(=O)N1CCCC[NH+]1CCN(c2csc3cc(Cl)ccc32)CC1 ZINC000013759441 562989222 /nfs/dbraw/zinc/98/92/22/562989222.db2.gz NHIYPLSPTIMDLJ-INIZCTEOSA-N 1 0 452.089 5.157 1 0 JKAFRO CCC[N@H+](CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)ccc(-c3ccco3)c2C1 ZINC000013759333 562989231 /nfs/dbraw/zinc/98/92/31/562989231.db2.gz MUFUFQQOGBVDCQ-JOCHJYFZSA-N 1 0 494.651 6.145 1 0 JKAFRO CCC[N@H+](CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(-c3ccco3)c2C1 ZINC000013759331 562989261 /nfs/dbraw/zinc/98/92/61/562989261.db2.gz MUFUFQQOGBVDCQ-QFIPXVFZSA-N 1 0 494.651 6.145 1 0 JKAFRO Cc1sc2nc(SCCC[NH+]3CCN(c4cccc5ccccc54)CC3)[nH]c(=O)c2c1C ZINC000013761018 562989669 /nfs/dbraw/zinc/98/96/69/562989669.db2.gz PPNYEQDFKJTXGT-UHFFFAOYSA-N 1 0 464.660 5.059 1 0 JKAFRO COc1c(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)cc(Br)c2ccccc21 ZINC000013761271 562989866 /nfs/dbraw/zinc/98/98/66/562989866.db2.gz QSGHQJFWJBYZCL-UHFFFAOYSA-N 1 0 467.407 5.220 1 0 JKAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)[N@@H+]2C/C=C/I ZINC000013761884 562990248 /nfs/dbraw/zinc/99/02/48/562990248.db2.gz ANVGMCMHHXCVBX-RDKMSUMHSA-N 1 0 480.173 5.052 1 0 JKAFRO Cn1c2ccccc2c(C(=O)CN2CCC([NH+]3CCCCC3)CC2)c1COc1ccc(Cl)cc1 ZINC000013766339 562990765 /nfs/dbraw/zinc/99/07/65/562990765.db2.gz USPYPWGLVYWPCV-UHFFFAOYSA-N 1 0 480.052 5.544 1 0 JKAFRO Oc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)c1c3ccccc3sc1-2 ZINC000013779326 562991404 /nfs/dbraw/zinc/99/14/04/562991404.db2.gz UOLDIIDQKRMCTR-HHHXNRCGSA-N 1 0 457.595 6.620 1 0 JKAFRO O=C(c1ccc(Cl)cc1)N1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C[C@H]1Cc1ccccc1 ZINC000013781121 562992037 /nfs/dbraw/zinc/99/20/37/562992037.db2.gz WUYRGUCXBKZRJD-IZZNHLLZSA-N 1 0 470.016 5.894 1 0 JKAFRO C[C@H]1C[N@H+](C[C@H](Cc2ccccc2)NC(=O)CCc2ccc(O)cc2)CC[C@@]1(C)c1cccc(O)c1 ZINC000013782404 562992485 /nfs/dbraw/zinc/99/24/85/562992485.db2.gz SMGWBMWVMICQEZ-KYXWXVNXSA-N 1 0 486.656 5.058 1 0 JKAFRO C[NH+]1CCC2(COc3ccc(NC(=O)N4CCC(c5c[nH]c6ccc(F)cc65)CC4)cc32)CC1 ZINC000013806251 562995284 /nfs/dbraw/zinc/99/52/84/562995284.db2.gz HIBNGDNAJQHLGU-UHFFFAOYSA-N 1 0 462.569 5.074 1 0 JKAFRO O=C(c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000013817825 562996920 /nfs/dbraw/zinc/99/69/20/562996920.db2.gz PMQYZWMILDAHGO-UHFFFAOYSA-N 1 0 483.837 6.414 1 0 JKAFRO O=C(c1oc2cc(O)ccc2c1-c1cccc2ccccc21)c1cccc(OCC[NH+]2CCCCC2)c1 ZINC000013818660 562997027 /nfs/dbraw/zinc/99/70/27/562997027.db2.gz VNAZBAMHSIJQKK-UHFFFAOYSA-N 1 0 491.587 7.054 1 0 JKAFRO Cc1cccn2cc(-c3ccc(OCCC[NH+]([C@@H](C)c4ccccc4)[C@@H](C)c4ccccc4)cc3)nc12 ZINC000013819570 562997268 /nfs/dbraw/zinc/99/72/68/562997268.db2.gz STGUFHDPMAXHPU-SVBPBHIXSA-N 1 0 489.663 7.903 1 0 JKAFRO CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819431 562997273 /nfs/dbraw/zinc/99/72/73/562997273.db2.gz LMPPVKFSFVAECO-ZGIBFIJWSA-N 1 0 462.678 5.546 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)N[C@@H]1c2ccccc2SC[C@@H]2CCCC[C@@H]21 ZINC000013820117 562997323 /nfs/dbraw/zinc/99/73/23/562997323.db2.gz BHRXKDVRJKFVJL-VSPOGIRPSA-N 1 0 481.681 5.498 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2C=Cc2ccccc21 ZINC000013820498 562997371 /nfs/dbraw/zinc/99/73/71/562997371.db2.gz AOLWHMGSDPPEJZ-UHFFFAOYSA-N 1 0 455.577 5.118 1 0 JKAFRO O=C(CCC[NH+]1CCN(c2ccccc2F)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000013820555 562997510 /nfs/dbraw/zinc/99/75/10/562997510.db2.gz HMOAFJKVGORFBH-NDEPHWFRSA-N 1 0 475.633 5.239 1 0 JKAFRO O=C(CCCC[NH+]1CCN(c2ccc(F)cc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000013820589 562997529 /nfs/dbraw/zinc/99/75/29/562997529.db2.gz DYMSWAIKTQBIRC-GDLZYMKVSA-N 1 0 489.660 5.630 1 0 JKAFRO COc1cc([C@@H](C)O)ccc1OCCC[NH+]1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824941 562998229 /nfs/dbraw/zinc/99/82/29/562998229.db2.gz GBYOBQKLPPSVDV-OAQYLSRUSA-N 1 0 495.610 6.340 1 0 JKAFRO COc1cc([C@H](C)O)ccc1OCCC[NH+]1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824944 562998233 /nfs/dbraw/zinc/99/82/33/562998233.db2.gz GBYOBQKLPPSVDV-NRFANRHFSA-N 1 0 495.610 6.340 1 0 JKAFRO COc1ccccc1OCCC[NH+]1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824978 562998281 /nfs/dbraw/zinc/99/82/81/562998281.db2.gz AFYKDIKAZAWWLP-UHFFFAOYSA-N 1 0 451.557 6.286 1 0 JKAFRO O=S1(=O)c2cccc3cccc(c23)N1CCCC[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000013826833 562998486 /nfs/dbraw/zinc/99/84/86/562998486.db2.gz UBXASEWIPOFEEF-UHFFFAOYSA-N 1 0 457.599 5.399 1 0 JKAFRO CC[NH+](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000013827372 562998633 /nfs/dbraw/zinc/99/86/33/562998633.db2.gz HFHJHTBFRUVYIO-UDUBSFCQSA-N 1 0 453.799 10.147 1 0 JKAFRO COc1cc(CCc2ccc(C3=Cc4ccccc4C4=[NH+]CCCN34)cc2)cc(OC)c1OC ZINC000013833378 563000484 /nfs/dbraw/zinc/00/04/84/563000484.db2.gz PHOYZGLRYUFZJM-UHFFFAOYSA-N 1 0 454.570 5.462 1 0 JKAFRO COc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013834283 563000862 /nfs/dbraw/zinc/00/08/62/563000862.db2.gz RPDULJACWWWFGZ-UHFFFAOYSA-N 1 0 487.621 6.378 1 0 JKAFRO O=C(c1c2ccc(Cl)cc2sc1-c1ccc(O)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834289 563000891 /nfs/dbraw/zinc/00/08/91/563000891.db2.gz YOKOYDXFIYTRLT-UHFFFAOYSA-N 1 0 492.040 7.023 1 0 JKAFRO O=C(c1c2ccccc2sc1-c1ccc(Cl)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834287 563000909 /nfs/dbraw/zinc/00/09/09/563000909.db2.gz XMSRJZPUCFXEFO-UHFFFAOYSA-N 1 0 476.041 7.317 1 0 JKAFRO COc1ccccc1[C@@H](CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000013835147 563001213 /nfs/dbraw/zinc/00/12/13/563001213.db2.gz LXJUOJZFZQVWGH-HXUWFJFHSA-N 1 0 488.472 5.619 1 0 JKAFRO Clc1ccc(N2CC[NH+](CC[C@@H](Oc3ccc4c(c3)OCO4)c3ccccc3)CC2)cc1 ZINC000013861710 563002536 /nfs/dbraw/zinc/00/25/36/563002536.db2.gz PZUUCLCSQURJFQ-XMMPIXPASA-N 1 0 450.966 5.401 1 0 JKAFRO COc1ccccc1N1CC[NH+](CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccsc2)CC1 ZINC000013861755 563002560 /nfs/dbraw/zinc/00/25/60/563002560.db2.gz IIWGHTTYGJACPE-QHCPKHFHSA-N 1 0 476.564 6.108 1 0 JKAFRO FC(F)(F)c1ccc(O[C@@H](CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 ZINC000013861706 563002567 /nfs/dbraw/zinc/00/25/67/563002567.db2.gz SMCJVPYCSOVUNZ-VWLOTQADSA-N 1 0 474.954 6.691 1 0 JKAFRO FC(F)(F)c1ccc(O[C@H](CC[NH+]2CCN(c3ccccc3Cl)CC2)c2ccccc2)cc1 ZINC000013861726 563002576 /nfs/dbraw/zinc/00/25/76/563002576.db2.gz FAVQYEYEEFOPQP-RUZDIDTESA-N 1 0 474.954 6.691 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CC[N@H+](C/C=C/c3ccccc3)C[C@@H]2C)cc1 ZINC000013862310 563002767 /nfs/dbraw/zinc/00/27/67/563002767.db2.gz JTOOPHYTASNWHN-UMFUWCKNSA-N 1 0 481.684 6.731 1 0 JKAFRO CCN(CC)C(=O)c1nc2ccccc2c(-c2ccccc2)c1C[N@H+](CC)Cc1ccccc1 ZINC000013862496 563002835 /nfs/dbraw/zinc/00/28/35/563002835.db2.gz GXAQSWNUEMPKQP-UHFFFAOYSA-N 1 0 451.614 6.406 1 0 JKAFRO COc1c(C(=O)NC[C@@H]2CCC[N@@H+]2C2C3CC4CC(C3)CC2C4)cc(Br)c2ccccc21 ZINC000013862878 563003036 /nfs/dbraw/zinc/00/30/36/563003036.db2.gz NCPWXKOHFJBWEP-KEBNJSOGSA-N 1 0 497.477 5.630 1 0 JKAFRO COc1c(C(=O)N[C@@H]2CC[N@@H+](C3C4CCCC3CCC4)C2)cc(Br)c2ccccc21 ZINC000013862870 563003041 /nfs/dbraw/zinc/00/30/41/563003041.db2.gz SWEOLYDPFYCLRX-NTFGGDPESA-N 1 0 471.439 5.384 1 0 JKAFRO COc1c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc(Br)c2ccccc21 ZINC000013862872 563003071 /nfs/dbraw/zinc/00/30/71/563003071.db2.gz UGGRLDVMPAOIFF-SFHVURJKSA-N 1 0 453.380 5.005 1 0 JKAFRO COc1c(C(=O)NC[C@H]2CCC[N@@H+]2C2C3CC4CC(C3)CC2C4)cc(Br)c2ccccc21 ZINC000013862884 563003167 /nfs/dbraw/zinc/00/31/67/563003167.db2.gz NCPWXKOHFJBWEP-IBWORTCRSA-N 1 0 497.477 5.630 1 0 JKAFRO COc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCCC2)cc(Br)c2ccccc21 ZINC000013862885 563003182 /nfs/dbraw/zinc/00/31/82/563003182.db2.gz OBVLIYLZARBQBE-CTXDPNEZSA-N 1 0 485.466 6.059 1 0 JKAFRO CCCCC1(CCCC)[NH2+][C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3cc(Cl)ccc3[nH]c21 ZINC000013863928 563003643 /nfs/dbraw/zinc/00/36/43/563003643.db2.gz DBLQQFZKWOTGKW-DEOSSOPVSA-N 1 0 461.053 7.674 1 0 JKAFRO COc1cc(NC[C@H](C)C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)nc2ccccc21 ZINC000013972632 563004846 /nfs/dbraw/zinc/00/48/46/563004846.db2.gz VQGITYQZZKWJFD-JOCHJYFZSA-N 1 0 464.613 6.084 1 0 JKAFRO Oc1ccc2c(ccc3c2[C@@H](c2ccc(OCC[NH+]4CCCCC4)cc2)c2c(O)cccc2C3)c1 ZINC000013976025 563004938 /nfs/dbraw/zinc/00/49/38/563004938.db2.gz BPIWCLNTNZQVRB-WJOKGBTCSA-N 1 0 465.593 6.200 1 0 JKAFRO Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCC[NH3+])c[nH]c21 ZINC000013981147 563005223 /nfs/dbraw/zinc/00/52/23/563005223.db2.gz XFPKKPUAPZGFCK-UHFFFAOYSA-N 1 0 456.619 5.357 1 0 JKAFRO CC[C@H]1C[N@@H+]2CCc3c4cc(O)ccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000014616160 563006036 /nfs/dbraw/zinc/00/60/36/563006036.db2.gz LJLFWHVFRNHBRP-HVYZTVOGSA-N 1 0 468.645 5.919 1 0 JKAFRO O[C@H]1CCCc2[nH+]c3ccccc3c(NCCCC(c3cccc(F)c3)c3cccc(F)c3)c21 ZINC000014946486 563006738 /nfs/dbraw/zinc/00/67/38/563006738.db2.gz RMJNBGWBTQUGAS-MHZLTWQESA-N 1 0 458.552 6.907 1 0 JKAFRO O[C@@H]1CCCc2[nH+]c3ccccc3c(NCCCC(c3ccc(F)cc3)c3ccc(F)cc3)c21 ZINC000014946483 563006771 /nfs/dbraw/zinc/00/67/71/563006771.db2.gz WFEGXUFMYIXSFD-HHHXNRCGSA-N 1 0 458.552 6.907 1 0 JKAFRO CC(C)Oc1cc(OCCC[NH+]2CCCC2)cc2ncnc(Nc3c4c(ccc3Cl)OCO4)c21 ZINC000014949460 563006983 /nfs/dbraw/zinc/00/69/83/563006983.db2.gz DVAZOVKPBNZYLL-UHFFFAOYSA-N 1 0 484.984 5.407 1 0 JKAFRO [NH3+][C@H](COc1cncc(/C=C/c2ccnc(NCc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12 ZINC000014957787 563007907 /nfs/dbraw/zinc/00/79/07/563007907.db2.gz VYSCVTWBPNLALC-BKRCECSGSA-N 1 0 475.596 5.689 1 0 JKAFRO CC[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014959615 563008223 /nfs/dbraw/zinc/00/82/23/563008223.db2.gz ZBYUTHMPEVJBEL-UHFFFAOYSA-N 1 0 469.010 5.274 1 0 JKAFRO CC(C)[NH+]1CCC(NC(=O)c2cc3ccccc3n2CCc2ccc(Cl)cc2Cl)CC1 ZINC000014959751 563008281 /nfs/dbraw/zinc/00/82/81/563008281.db2.gz DLMIMIWKEZCOGZ-UHFFFAOYSA-N 1 0 458.433 5.793 1 0 JKAFRO [NH3+][C@H](COc1cncc(-c2ccc3cnc(-c4ccco4)cc3c2)c1)Cc1c[nH]c2ccccc12 ZINC000014962592 563008460 /nfs/dbraw/zinc/00/84/60/563008460.db2.gz ZISFYLSXHJJWFZ-DEOSSOPVSA-N 1 0 460.537 5.987 1 0 JKAFRO [NH3+][C@H](COc1cncc(-c2ccc3cnc(-c4ccccc4)cc3c2)c1)Cc1c[nH]c2ccccc12 ZINC000014962597 563008538 /nfs/dbraw/zinc/00/85/38/563008538.db2.gz XPBYNTVKVYATHN-MHZLTWQESA-N 1 0 470.576 6.394 1 0 JKAFRO C[NH+](C)CCOc1nc(-c2ccccc2Cl)c2c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000014962955 563008544 /nfs/dbraw/zinc/00/85/44/563008544.db2.gz XOFKBZXMDGGJMM-UHFFFAOYSA-N 1 0 492.794 5.406 1 0 JKAFRO CCCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCC)C(C)C)ccc1OC ZINC000014967527 563009437 /nfs/dbraw/zinc/00/94/37/563009437.db2.gz GRURNVFMMQASQN-VZVHPENPSA-N 1 0 478.718 5.100 1 0 JKAFRO C[NH+](C)Cc1ccc(Oc2ccc3c(c2)nccc3-c2c3n(nc2-c2ccccn2)CCC3)cc1 ZINC000014976431 563010382 /nfs/dbraw/zinc/01/03/82/563010382.db2.gz WFJCKKJFVJFWEA-UHFFFAOYSA-N 1 0 461.569 5.960 1 0 JKAFRO COc1ccc(-c2cnc([C@@H]3[C@H]4CC[C@@H](C[C@@H]3c3ccc(Cl)cc3)[N@@H+]4C)s2)cc1OC ZINC000014978607 563010841 /nfs/dbraw/zinc/01/08/41/563010841.db2.gz MRPLQNITIUKVEG-SMOZNVCYSA-N 1 0 455.023 6.215 1 0 JKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1ncc(-c2cccc(Br)c2)s1 ZINC000014978593 563010855 /nfs/dbraw/zinc/01/08/55/563010855.db2.gz DRLOWUSIOOIRRD-HIUFNZKISA-N 1 0 473.867 6.960 1 0 JKAFRO COc1ccc(NC(=O)c2cc3cc(C4(O)CC[NH+](C[C@@H](C)c5ccccc5)CC4)ccc3o2)cc1 ZINC000015008853 563011196 /nfs/dbraw/zinc/01/11/96/563011196.db2.gz UJOGIOKLSDNNJM-OAQYLSRUSA-N 1 0 484.596 5.781 1 0 JKAFRO O[C@H](CSc1ccccc1)CN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000019361028 563014880 /nfs/dbraw/zinc/01/48/80/563014880.db2.gz KMONIWZOMQQSPR-MHZLTWQESA-N 1 0 496.667 5.648 1 0 JKAFRO Fc1ccc(C(OCC[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C/C=C/c2cccs2)c2ccc(F)cc2)cc1 ZINC000019365806 563015026 /nfs/dbraw/zinc/01/50/26/563015026.db2.gz YHNSGNNYYHUOIH-XIQCHAELSA-N 1 0 494.651 6.384 1 0 JKAFRO CCC[N@H+](CCN1CCN(c2cccc(Cl)c2Cl)CC1)[C@H]1CCc2ccc(O)cc2C1 ZINC000022924469 563017301 /nfs/dbraw/zinc/01/73/01/563017301.db2.gz QUMJJLZEFJECGH-NRFANRHFSA-N 1 0 462.465 5.091 1 0 JKAFRO Fc1ccc(CCC[NH+]2CCN(CCO[C@@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000022925636 563017606 /nfs/dbraw/zinc/01/76/06/563017606.db2.gz ZYWYGPJJVKXGOA-NDEPHWFRSA-N 1 0 450.573 5.321 1 0 JKAFRO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCC[NH+]1CCN(C)CC1 ZINC000022925833 563017628 /nfs/dbraw/zinc/01/76/28/563017628.db2.gz OTAOVHITJRHQLO-UHFFFAOYSA-N 1 0 481.644 5.316 1 0 JKAFRO FC(F)(F)c1cc(COC[C@H](c2cccc(Cl)c2)N2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000022926853 563017770 /nfs/dbraw/zinc/01/77/70/563017770.db2.gz XPQVVEFXDFZVJS-LJQANCHMSA-N 1 0 466.853 5.541 1 0 JKAFRO Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3CC[NH2+]Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000022932180 563018453 /nfs/dbraw/zinc/01/84/53/563018453.db2.gz AKCFGSWTIGIRNF-FITHBNAOSA-N 1 0 462.584 5.856 1 0 JKAFRO Cc1ccc(O)c(NCCC[NH+]2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1 ZINC000022934264 563018763 /nfs/dbraw/zinc/01/87/63/563018763.db2.gz LAGZTOPVEFVHAS-UHFFFAOYSA-N 1 0 484.471 6.217 1 0 JKAFRO Cc1ccc(O)c(N(C)CCC[NH+]2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000022934236 563018765 /nfs/dbraw/zinc/01/87/65/563018765.db2.gz NEEJNHCKUBUXDN-MUUNZHRXSA-N 1 0 464.053 5.588 1 0 JKAFRO Cc1ccc(O)c(NCCC[NH+]2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000022934228 563018782 /nfs/dbraw/zinc/01/87/82/563018782.db2.gz NCTNOLFSUSZBNE-MHZLTWQESA-N 1 0 450.026 5.563 1 0 JKAFRO Cc1c2c(c(C)c(C)c1N)O[C@](C)(C[NH+]1CCN(C(c3ccccc3)c3ccccc3)CC1)C2 ZINC000022934337 563018829 /nfs/dbraw/zinc/01/88/29/563018829.db2.gz MVSGXQSDPNEATA-PMERELPUSA-N 1 0 455.646 5.295 1 0 JKAFRO Cc1ccc(O)c(N(CCC[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(C)C)c1 ZINC000022934273 563018835 /nfs/dbraw/zinc/01/88/35/563018835.db2.gz NSUVXNFYKVHTSF-UHFFFAOYSA-N 1 0 493.642 5.991 1 0 JKAFRO Cc1cccc([C@@]23C[C@@H]2[C@H](N(CCCN2CC[NH+](C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000022935416 563018949 /nfs/dbraw/zinc/01/89/49/563018949.db2.gz XXDNNAGREZBRMJ-KODFZCBSSA-N 1 0 499.074 5.379 1 0 JKAFRO Fc1ccc(C(OCCN2CCC[N@H+](CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022938494 563019222 /nfs/dbraw/zinc/01/92/22/563019222.db2.gz DUNNQMCSUALPMK-UHFFFAOYSA-N 1 0 464.600 5.711 1 0 JKAFRO Fc1ccc(C(OCCN2CCC[C@H]2C[NH2+]CCCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000022938550 563019224 /nfs/dbraw/zinc/01/92/24/563019224.db2.gz RNMMMKSJGRTVQB-NDEPHWFRSA-N 1 0 464.600 5.758 1 0 JKAFRO Fc1ccc(C(OCCN2CC[NH+](CCCc3nc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1 ZINC000022938663 563019256 /nfs/dbraw/zinc/01/92/56/563019256.db2.gz RGFIOTJNFCFPOX-UHFFFAOYSA-N 1 0 490.598 5.198 1 0 JKAFRO Fc1ccc(C(OCCN2CC[NH+](Cc3ccc4ncccc4c3)CC2)c2ccc(F)cc2)cc1 ZINC000022938657 563019273 /nfs/dbraw/zinc/01/92/73/563019273.db2.gz XFEZGNQTHVDGQK-UHFFFAOYSA-N 1 0 473.567 5.437 1 0 JKAFRO Oc1cccc(CCC[NH+]2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000022939420 563019342 /nfs/dbraw/zinc/01/93/42/563019342.db2.gz BNHLGYATHDKYII-UHFFFAOYSA-N 1 0 466.572 5.027 1 0 JKAFRO Oc1ccc(CCC[NH+]2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022939426 563019355 /nfs/dbraw/zinc/01/93/55/563019355.db2.gz KEPMHFZSPIKKQX-UHFFFAOYSA-N 1 0 466.572 5.027 1 0 JKAFRO COc1cccc(CCC[NH+]2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000022939453 563019447 /nfs/dbraw/zinc/01/94/47/563019447.db2.gz YJZOCKRJFJPMEO-UHFFFAOYSA-N 1 0 480.599 5.330 1 0 JKAFRO COc1ccccc1/C=C/CN1CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022939432 563019462 /nfs/dbraw/zinc/01/94/62/563019462.db2.gz CDUYEXOQKSPFJG-GQCTYLIASA-N 1 0 478.583 5.410 1 0 JKAFRO CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)[N@H+](CC3CC3)C[C@@H]2C)cc1 ZINC000022939661 563019466 /nfs/dbraw/zinc/01/94/66/563019466.db2.gz AYWQCTYILXHFKM-RZIGYZOXSA-N 1 0 463.666 5.071 1 0 JKAFRO O=C(CCC[NH+]1CCN(Cc2ccc(O)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000022940073 563019474 /nfs/dbraw/zinc/01/94/74/563019474.db2.gz PNWUADARAZUXPI-ZLZBJJAKSA-N 1 0 493.717 5.060 1 0 JKAFRO COc1ccc(CCC[NH+]2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022939459 563019483 /nfs/dbraw/zinc/01/94/83/563019483.db2.gz LQDLOQGQCCVLQR-UHFFFAOYSA-N 1 0 480.599 5.330 1 0 JKAFRO COc1cccc(/C=C/CN2CC[NH+](CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000022939438 563019505 /nfs/dbraw/zinc/01/95/05/563019505.db2.gz KFSJDULVAZTEOX-HWKANZROSA-N 1 0 478.583 5.410 1 0 JKAFRO O=C(CCCN1CC[NH+](CCc2ccccc2)CC1)NC1c2ccccc2C=Cc2ccccc21 ZINC000022940106 563019622 /nfs/dbraw/zinc/01/96/22/563019622.db2.gz DQKJTCBKYNLNMM-UHFFFAOYSA-N 1 0 465.641 5.017 1 0 JKAFRO Fc1ccc(C(OCC[N@H+]2C[C@H]3CC[C@@H](C2)N3C/C=C/c2cccnc2)c2ccc(F)cc2)cc1 ZINC000022940908 563019672 /nfs/dbraw/zinc/01/96/72/563019672.db2.gz JBCSXADGPCPQQF-YCJSWRBTSA-N 1 0 475.583 5.328 1 0 JKAFRO CC(C)[NH+]1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NC2CCCCC2)CC1 ZINC000022941818 563019833 /nfs/dbraw/zinc/01/98/33/563019833.db2.gz KULZXADAJUBWTD-UHFFFAOYSA-N 1 0 470.661 5.490 1 0 JKAFRO Cc1ccc(NC[C@H](O)CN2CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022941085 563019851 /nfs/dbraw/zinc/01/98/51/563019851.db2.gz FYRISFFOTULNGI-LJAQVGFWSA-N 1 0 493.642 5.276 1 0 JKAFRO COc1cccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)Nc5ccc(Cl)cc5)cc4c3)CC2)c1 ZINC000023250648 563020142 /nfs/dbraw/zinc/02/01/42/563020142.db2.gz BIKASPLXOQBZJO-UHFFFAOYSA-N 1 0 490.987 5.831 1 0 JKAFRO CC(C)(C)c1ccc(C[N@H+]2Cc3ccccc3N(Cc3c[nH]cn3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025984350 563021083 /nfs/dbraw/zinc/02/10/83/563021083.db2.gz CCTBRCWXVIUBNA-SSEXGKCCSA-N 1 0 478.684 6.731 1 0 JKAFRO CC[C@@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCCC[NH+](C)C)c1ccccc1 ZINC000026008015 563021694 /nfs/dbraw/zinc/02/16/94/563021694.db2.gz UXIFNZZGVLDBLW-RUZDIDTESA-N 1 0 467.613 6.113 1 0 JKAFRO CC(=O)Nc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2cc(C)cc(C)c2)cc1 ZINC000026017252 563021847 /nfs/dbraw/zinc/02/18/47/563021847.db2.gz JIXVDTKCCAXRPT-UHFFFAOYSA-N 1 0 453.630 6.565 1 0 JKAFRO Cc1ccc(S(=O)(=O)N[C@H](C[NH2+][C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026165978 563023058 /nfs/dbraw/zinc/02/30/58/563023058.db2.gz WOCAHMZLKFLFKN-RDGATRHJSA-N 1 0 458.627 5.389 1 0 JKAFRO O[C@@H](CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000026177009 563023492 /nfs/dbraw/zinc/02/34/92/563023492.db2.gz HVWWOIDJLSKQLV-OIKPOIBNSA-N 1 0 452.520 5.927 1 0 JKAFRO O[C@@H](CCC[N@@H+]1CC[C@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000026180627 563023763 /nfs/dbraw/zinc/02/37/63/563023763.db2.gz HVWWOIDJLSKQLV-URORMMCBSA-N 1 0 452.520 5.927 1 0 JKAFRO O=C(c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1)N1CCOCC1 ZINC000026185742 563024059 /nfs/dbraw/zinc/02/40/59/563024059.db2.gz NODWWNXPLNVIFY-QRRGNZNSSA-N 1 0 492.663 5.830 1 0 JKAFRO CN(C)C(=O)C[N@@H+]1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000026188817 563024167 /nfs/dbraw/zinc/02/41/67/563024167.db2.gz OAHRZWRIQLQPSK-UNMCSNQZSA-N 1 0 488.472 5.535 1 0 JKAFRO O=C(Nc1ccccc1)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026188897 563024172 /nfs/dbraw/zinc/02/41/72/563024172.db2.gz XPLYRBFRPVITKN-CZFRINIUSA-N 1 0 498.670 7.610 1 0 JKAFRO O=C(NC1CC1)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026189199 563024185 /nfs/dbraw/zinc/02/41/85/563024185.db2.gz YMQACKZEUSPSTE-RNPORBBMSA-N 1 0 462.637 6.250 1 0 JKAFRO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026249355 563024413 /nfs/dbraw/zinc/02/44/13/563024413.db2.gz JIWKXPYRGPURED-AHKZPQOWSA-N 1 0 487.550 5.351 1 0 JKAFRO O=C(NCCCC[N@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000026253492 563024523 /nfs/dbraw/zinc/02/45/23/563024523.db2.gz MMXZMOPOEQCCMR-XNMGPUDCSA-N 1 0 461.556 5.485 1 0 JKAFRO O=C(NCCF)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026254927 563024610 /nfs/dbraw/zinc/02/46/10/563024610.db2.gz HXICDPODXNOTQF-ISILISOKSA-N 1 0 468.616 6.057 1 0 JKAFRO CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)C[NH+]3CCCCC3)C=C21 ZINC000026258995 563024661 /nfs/dbraw/zinc/02/46/61/563024661.db2.gz BSRZWKSPSYIBBD-FBLLAGFSSA-N 1 0 482.709 6.558 1 0 JKAFRO CC1(C)Oc2cc(O)ccc2[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@H]1c1ccccc1 ZINC000026260649 563024693 /nfs/dbraw/zinc/02/46/93/563024693.db2.gz OONKDFGHNVJXNG-FQLXRVMXSA-N 1 0 457.614 6.344 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCCCCC[C@@H](Sc1ccccc1)c1ccccc1)CC2 ZINC000026273819 563025187 /nfs/dbraw/zinc/02/51/87/563025187.db2.gz PXPALVLDMLCHHI-SSEXGKCCSA-N 1 0 475.698 7.546 1 0 JKAFRO Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3C[NH+]3CCCC3)sc2c1 ZINC000026283088 563025502 /nfs/dbraw/zinc/02/55/02/563025502.db2.gz IYEPCCAQQAXNKF-IAGOWNOFSA-N 1 0 469.010 5.181 1 0 JKAFRO Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@@H]3C[C@H]3C[NH+]3CCCC3)sc2c1 ZINC000026283102 563025541 /nfs/dbraw/zinc/02/55/41/563025541.db2.gz IYEPCCAQQAXNKF-DLBZAZTESA-N 1 0 469.010 5.181 1 0 JKAFRO NC(=[NH2+])c1cccc(O[C@H](C(=O)Nc2cc(Cl)c(-n3cccc3)cc2Cl)c2ccccc2)c1 ZINC000026379713 563026655 /nfs/dbraw/zinc/02/66/55/563026655.db2.gz HVUHZPALQDNSEC-QHCPKHFHSA-N 1 0 479.367 5.827 1 0 JKAFRO Cc1c2cccc3c2n(c1-c1cc(C)c(O)c(C)c1)C[C@H](CC[NH+]1CCN(c2cc(C)ccn2)CC1)O3 ZINC000026401823 563027560 /nfs/dbraw/zinc/02/75/60/563027560.db2.gz MJROCKFCUPCOPX-VWLOTQADSA-N 1 0 496.655 5.616 1 0 JKAFRO COc1cc(-c2c(C)c3cccc4c3n2C[C@H](CC[NH+]2CCN(c3cc(C)ccn3)CC2)O4)ccc1O ZINC000026473171 563028016 /nfs/dbraw/zinc/02/80/16/563028016.db2.gz NJNGWQSMOHNUIR-QHCPKHFHSA-N 1 0 498.627 5.008 1 0 JKAFRO [NH2+]=C(Nc1ccccc1C=Cc1c(F)c(F)c(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2 ZINC000026489314 563028393 /nfs/dbraw/zinc/02/83/93/563028393.db2.gz KKAWKXOIYYUHRX-AATRIKPKSA-N 1 0 461.478 6.458 1 0 JKAFRO CCCCc1ccnc([C@H](CC2CCCCC2)NC(=O)CCCC[NH+](CCCC)CCCC)c1 ZINC000026493686 563028560 /nfs/dbraw/zinc/02/85/60/563028560.db2.gz ZLINJWAUHWOYCM-LJAQVGFWSA-N 1 0 471.774 7.624 1 0 JKAFRO c1ccc(CC[NH2+]Cc2cccc(COc3nn4c(nnc4C4CCCCC4)c4ccccc43)n2)cc1 ZINC000026495292 563028669 /nfs/dbraw/zinc/02/86/69/563028669.db2.gz LETNYHCWJKSFMR-UHFFFAOYSA-N 1 0 492.627 5.632 1 0 JKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CCC2CCCCC2)CC[C@]314 ZINC000026496204 563028735 /nfs/dbraw/zinc/02/87/35/563028735.db2.gz ZCPJXWILZUQAFH-QVDUQQMDSA-N 1 0 470.613 5.133 1 0 JKAFRO CCCC[NH+]1CCC(CCC(=O)c2cc(Cl)c(N)cc2OCc2cc(OC)cc(OC)c2)CC1 ZINC000026497845 563028832 /nfs/dbraw/zinc/02/88/32/563028832.db2.gz LOSQIKTTYAHEMV-UHFFFAOYSA-N 1 0 489.056 5.993 1 0 JKAFRO C[C@@H](C[NH2+]Cc1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1)c1ccccc1 ZINC000026497029 563028860 /nfs/dbraw/zinc/02/88/60/563028860.db2.gz MARYJKFBRZVLCP-KRWDZBQOSA-N 1 0 492.505 5.164 1 0 JKAFRO COc1ccc(CCOc2cc(N)c(Cl)cc2C(=O)CCCC[NH+]2CCCCC2)cc1OC ZINC000026501489 563029167 /nfs/dbraw/zinc/02/91/67/563029167.db2.gz WHYWHMITSXLBNM-UHFFFAOYSA-N 1 0 475.029 5.400 1 0 JKAFRO c1ccc(CC[NH2+]Cc2cccc(COc3nn4c(-c5ccccc5)nnc4c4ccccc43)n2)cc1 ZINC000026502472 563029234 /nfs/dbraw/zinc/02/92/34/563029234.db2.gz BYBVYBPNKHNUTQ-UHFFFAOYSA-N 1 0 486.579 5.251 1 0 JKAFRO CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CC[NH+](CCc2cccs2)CC1 ZINC000026567093 563029693 /nfs/dbraw/zinc/02/96/93/563029693.db2.gz RHPDRPGPBGLYLL-UHFFFAOYSA-N 1 0 457.640 5.629 1 0 JKAFRO CCc1c(-c2ccc(O)cc2)oc(-c2ccccc2)c1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026568333 563029743 /nfs/dbraw/zinc/02/97/43/563029743.db2.gz AFAUDWQMESQGPR-UHFFFAOYSA-N 1 0 467.609 7.413 1 0 JKAFRO CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CC[NH+](CCc2scnc2C)CC1 ZINC000026572424 563030134 /nfs/dbraw/zinc/03/01/34/563030134.db2.gz HXWJKAXBLCHADB-UHFFFAOYSA-N 1 0 472.655 5.333 1 0 JKAFRO CN1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)[NH+]=C1CCc1ccc(NS(C)(=O)=O)cc1 ZINC000026574116 563030214 /nfs/dbraw/zinc/03/02/14/563030214.db2.gz UOXDXNDCBQOJFF-RUZDIDTESA-N 1 0 468.022 5.278 1 0 JKAFRO O[C@@H](CC[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000026576407 563030620 /nfs/dbraw/zinc/03/06/20/563030620.db2.gz HPCHCQKXJNQWHO-NDEPHWFRSA-N 1 0 465.588 5.234 1 0 JKAFRO CN(C[C@H](CC[NH+]1CCC(c2ccccc2)CC1)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026641072 563031598 /nfs/dbraw/zinc/03/15/98/563031598.db2.gz VHBRZABEWHYCMY-AREMUKBSSA-N 1 0 476.686 5.436 1 0 JKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCOc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2cccc(O)c2)cc1 ZINC000026652453 563032186 /nfs/dbraw/zinc/03/21/86/563032186.db2.gz DGUGAVBTCOIQFE-XFDCLTQUSA-N 1 0 491.653 6.707 1 0 JKAFRO CC(C)c1ccc(COCC[NH+]2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000026654565 563032280 /nfs/dbraw/zinc/03/22/80/563032280.db2.gz XLXTZKYKNYUDRP-LJAQVGFWSA-N 1 0 463.065 6.387 1 0 JKAFRO O=C(c1cccc(Cl)c1)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026654667 563032285 /nfs/dbraw/zinc/03/22/85/563032285.db2.gz PMORIAQBJZCUMI-XTEPFMGCSA-N 1 0 459.033 6.075 1 0 JKAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@@H](Cc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000026652938 563032293 /nfs/dbraw/zinc/03/22/93/563032293.db2.gz CJSNSSCOSAUHJH-IBOXJRJNSA-N 1 0 452.683 5.331 1 0 JKAFRO Oc1ccc([C@@H]2Sc3c(F)cc(O)cc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026657943 563032658 /nfs/dbraw/zinc/03/26/58/563032658.db2.gz YHHMXCKYOBTMCT-FTJBHMTQSA-N 1 0 481.589 6.069 1 0 JKAFRO COc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026661006 563032726 /nfs/dbraw/zinc/03/27/26/563032726.db2.gz DVAHOHVVLYMDAM-WUFINQPMSA-N 1 0 477.626 6.233 1 0 JKAFRO COc1ccc([C@H]2Sc3cc(O)ccc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026660994 563032737 /nfs/dbraw/zinc/03/27/37/563032737.db2.gz DVAHOHVVLYMDAM-VSGBNLITSA-N 1 0 477.626 6.233 1 0 JKAFRO Oc1cccc([C@@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000026663203 563032795 /nfs/dbraw/zinc/03/27/95/563032795.db2.gz NAULYXADLNIEES-SVBPBHIXSA-N 1 0 463.599 5.930 1 0 JKAFRO O=C(c1ccc(F)cc1)C1CC[NH+](C[C@H]2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1 ZINC000026662328 563032836 /nfs/dbraw/zinc/03/28/36/563032836.db2.gz PTZUOUKVZMOWMQ-WWKQIGMOSA-N 1 0 455.573 5.939 1 0 JKAFRO Oc1ccc([C@@H]2Sc3c(Cl)c(O)ccc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000026665173 563032916 /nfs/dbraw/zinc/03/29/16/563032916.db2.gz QRDLPLOFYAWIKS-FTJBHMTQSA-N 1 0 498.044 6.583 1 0 JKAFRO O=C(NCCCC[N@H+]1CCC[C@@H]2c3cccc(O)c3CC[C@H]21)c1ccc(-c2ccccc2)cc1 ZINC000026724115 563033965 /nfs/dbraw/zinc/03/39/65/563033965.db2.gz AIXVGZUOFPCOMV-IXCJQBJRSA-N 1 0 454.614 5.764 1 0 JKAFRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2[nH]nc3cccc(OCc4ccc(Cl)c(Cl)c4)c32)C1 ZINC000026727655 563034057 /nfs/dbraw/zinc/03/40/57/563034057.db2.gz OAYAVSHLOXDZCU-HOTGVXAUSA-N 1 0 462.377 5.270 1 0 JKAFRO Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(-c6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026729367 563034143 /nfs/dbraw/zinc/03/41/43/563034143.db2.gz LAFAZHYCYGLKBS-KLWPZSMLSA-N 1 0 490.603 5.240 1 0 JKAFRO Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(-c6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000026734321 563034309 /nfs/dbraw/zinc/03/43/09/563034309.db2.gz KLYHOTNAJOEIKN-KLWPZSMLSA-N 1 0 490.603 5.240 1 0 JKAFRO COc1ccc(C2=C(OC(C)=O)c3ccc(C[NH+](C)C)n3-c3cc(Cl)ccc3S2)cc1 ZINC000026742214 563034770 /nfs/dbraw/zinc/03/47/70/563034770.db2.gz XLKYMMNWENWFIB-UHFFFAOYSA-N 1 0 454.979 5.696 1 0 JKAFRO O=C(c1ccc(F)cc1)C1CC[NH+](CCCOc2ccc3c(=O)cc(C(F)(F)F)oc3c2)CC1 ZINC000026752631 563035326 /nfs/dbraw/zinc/03/53/26/563035326.db2.gz JYMILJNWVCATJT-UHFFFAOYSA-N 1 0 477.454 5.315 1 0 JKAFRO c1ccc(C[n+]2c3ccccc3n3nc4c5cccc6cccc(c56)c4c(-c4ccccc4)c32)cc1 ZINC000026827190 563036097 /nfs/dbraw/zinc/03/60/97/563036097.db2.gz JMJXJKCYWCIQSB-UHFFFAOYSA-N 1 0 460.560 7.291 1 0 JKAFRO COc1ccc(CN[C@@H](C[NH2+][C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026997964 563038876 /nfs/dbraw/zinc/03/88/76/563038876.db2.gz BVAQUQXGHOSEIC-BKMJKUGQSA-N 1 0 454.614 5.909 1 0 JKAFRO COc1ccc(CN[C@@H](C[NH2+][C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026997976 563038938 /nfs/dbraw/zinc/03/89/38/563038938.db2.gz BVAQUQXGHOSEIC-ATIYNZHBSA-N 1 0 454.614 5.909 1 0 JKAFRO O=c1oc2cc(O)ccc2c(-c2cccc(OCCCC[NH+]3CCCCC3)c2)c1-c1ccccc1 ZINC000027080988 563038974 /nfs/dbraw/zinc/03/89/74/563038974.db2.gz AKPVOPBVPQYJSI-UHFFFAOYSA-N 1 0 469.581 6.478 1 0 JKAFRO Cc1cc(C)cc(C(=O)N2CC[C@@H]([NH2+]Cc3ccnc4ccccc34)C[C@@H]2[C@H](C)c2ccccc2)c1 ZINC000027105191 563040204 /nfs/dbraw/zinc/04/02/04/563040204.db2.gz KDLUBXVKFJCDHI-HVOSOHGQSA-N 1 0 477.652 6.418 1 0 JKAFRO OC1(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCCC4)c3)s2)CC[NH2+]CC1 ZINC000027106349 563040310 /nfs/dbraw/zinc/04/03/10/563040310.db2.gz SVMCMXOGSRFALQ-UHFFFAOYSA-N 1 0 452.599 5.327 1 0 JKAFRO C[C@H](Nc1nccc(-c2oc(C3(O)CC[NH+](C)CC3)nc2-c2ccc(F)cc2)n1)c1ccccc1 ZINC000027181590 563040803 /nfs/dbraw/zinc/04/08/03/563040803.db2.gz NFQBSQZNMWBYAC-SFHVURJKSA-N 1 0 473.552 5.024 1 0 JKAFRO C[C@H](Nc1cc(-c2nc(C3(O)CC[NH+](C)CC3)[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000027189000 563040923 /nfs/dbraw/zinc/04/09/23/563040923.db2.gz NIHRDFVTTPUXSZ-IBGZPJMESA-N 1 0 471.580 5.364 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCC[C@H]2CO[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 ZINC000027189256 563040972 /nfs/dbraw/zinc/04/09/72/563040972.db2.gz IPDIZSCHAHNAMO-BDYUSTAISA-N 1 0 480.446 6.271 1 0 JKAFRO COc1ccc(CC[N@@H+]2CCCC[C@@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000027194730 563041103 /nfs/dbraw/zinc/04/11/03/563041103.db2.gz SJZUBSHGVSIJOL-IAPPQJPRSA-N 1 0 450.022 6.552 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3S[C@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000027198247 563041277 /nfs/dbraw/zinc/04/12/77/563041277.db2.gz HRVIOIRMUAIGBG-RRPNLBNLSA-N 1 0 479.667 6.643 1 0 JKAFRO CCCc1c(Cl)c(Cl)ccc1OC[C@@H]([NH3+])COc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000027198276 563041288 /nfs/dbraw/zinc/04/12/88/563041288.db2.gz YVVOPKMDWJEWHG-VAODSVERSA-N 1 0 481.401 5.055 1 0 JKAFRO C[C@H]1C[NH+](CCCn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@H](C)N1 ZINC000027518883 563044609 /nfs/dbraw/zinc/04/46/09/563044609.db2.gz ZFYKCNUOELWCKS-GJZGRUSLSA-N 1 0 479.260 5.392 1 0 JKAFRO [NH3+]CCCCCCCCCCCCNC(=O)[C@H](Cc1cccc(O)c1)NC(=O)CC1CCCCC1 ZINC000027519001 563044725 /nfs/dbraw/zinc/04/47/25/563044725.db2.gz KIRCLSCENYYXCU-MHZLTWQESA-N 1 0 487.729 5.366 1 0 JKAFRO O[C@@H](c1cc(Oc2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCC[NH2+]1 ZINC000027523335 563045197 /nfs/dbraw/zinc/04/51/97/563045197.db2.gz CNOIHTJZFNRBMB-NQIIRXRSSA-N 1 0 472.199 6.816 1 0 JKAFRO O[C@@H](c1cc(Oc2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCC[NH2+]1 ZINC000027523333 563045202 /nfs/dbraw/zinc/04/52/02/563045202.db2.gz CNOIHTJZFNRBMB-RXVVDRJESA-N 1 0 472.199 6.816 1 0 JKAFRO FC(F)(F)c1ccc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1 ZINC000027525379 563045498 /nfs/dbraw/zinc/04/54/98/563045498.db2.gz GBGJHGBFMCNNKU-RRPNLBNLSA-N 1 0 451.532 6.517 1 0 JKAFRO Clc1cc(Cl)cc(CO[C@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027526350 563045612 /nfs/dbraw/zinc/04/56/12/563045612.db2.gz VLLJECVRBGSGCF-SVBPBHIXSA-N 1 0 452.425 6.805 1 0 JKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2CCOc2ccc(Cl)cc2Cl)CC1 ZINC000027527140 563045647 /nfs/dbraw/zinc/04/56/47/563045647.db2.gz HATKPEJKTDSHRM-UHFFFAOYSA-N 1 0 477.501 6.398 1 0 JKAFRO Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000027527012 563045713 /nfs/dbraw/zinc/04/57/13/563045713.db2.gz WGXCEQYRKKEQPR-UHFFFAOYSA-N 1 0 488.075 7.270 1 0 JKAFRO Cc1ccc(OCc2sc3ccccc3c2CCN2CCC([NH+](C)C)CC2)c(C(C)(C)C)c1 ZINC000027526686 563045721 /nfs/dbraw/zinc/04/57/21/563045721.db2.gz ICTVHDVNJFMPKD-UHFFFAOYSA-N 1 0 464.719 6.655 1 0 JKAFRO Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CC[NH+](CCC(C)C)CC1 ZINC000027547667 563045737 /nfs/dbraw/zinc/04/57/37/563045737.db2.gz HFDKQLUXTAJGHK-UHFFFAOYSA-N 1 0 468.085 7.115 1 0 JKAFRO c1ccc(Oc2cccc(CO[C@@H]3C4CC[NH+](CC4)[C@H]3C(c3ccccc3)c3ccccc3)c2)cc1 ZINC000027527311 563045752 /nfs/dbraw/zinc/04/57/52/563045752.db2.gz OKIXEUMIQOKHID-JHOUSYSJSA-N 1 0 475.632 7.290 1 0 JKAFRO Brc1ccccc1CO[C@@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000027547748 563045774 /nfs/dbraw/zinc/04/57/74/563045774.db2.gz UNKSVANIANTVBC-RRPNLBNLSA-N 1 0 462.431 6.261 1 0 JKAFRO c1ccc(Oc2cccc(CO[C@H]3C4CC[NH+](CC4)[C@@H]3C(c3ccccc3)c3ccccc3)c2)cc1 ZINC000027527313 563045817 /nfs/dbraw/zinc/04/58/17/563045817.db2.gz OKIXEUMIQOKHID-SAIUNTKASA-N 1 0 475.632 7.290 1 0 JKAFRO FC(F)(F)c1cccc(CO[C@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027547873 563045853 /nfs/dbraw/zinc/04/58/53/563045853.db2.gz FWWHAAGOCFCRFY-SXOMAYOGSA-N 1 0 451.532 6.517 1 0 JKAFRO FC(F)(F)c1cccc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027547877 563045906 /nfs/dbraw/zinc/04/59/06/563045906.db2.gz FWWHAAGOCFCRFY-RRPNLBNLSA-N 1 0 451.532 6.517 1 0 JKAFRO O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1)c1ccc(CCC[NH+]2CCCCC2)cc1 ZINC000027617743 563047140 /nfs/dbraw/zinc/04/71/40/563047140.db2.gz MECIWVKGDZBRFG-UHFFFAOYSA-N 1 0 471.622 6.629 1 0 JKAFRO O=C(/C=C/c1cccnc1)NCCCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000027648497 563048406 /nfs/dbraw/zinc/04/84/06/563048406.db2.gz RROHYJBRIYRRFY-MEQIQYKBSA-N 1 0 489.063 5.052 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccccc1OCC[NH+]1CCCC1 ZINC000027653714 563048910 /nfs/dbraw/zinc/04/89/10/563048910.db2.gz FICHCAISVCBNQX-WDYNHAJCSA-N 1 0 457.614 6.257 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@H]2c1ccccc1OCC[NH+]1CCCC1 ZINC000027653717 563048956 /nfs/dbraw/zinc/04/89/56/563048956.db2.gz FICHCAISVCBNQX-VMPREFPWSA-N 1 0 457.614 6.257 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccccc1OCC[NH+]1CCCC1 ZINC000027653710 563048962 /nfs/dbraw/zinc/04/89/62/563048962.db2.gz FICHCAISVCBNQX-URLMMPGGSA-N 1 0 457.614 6.257 1 0 JKAFRO CC(C)c1ccc(/C=C/C(=O)NCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027655916 563049111 /nfs/dbraw/zinc/04/91/11/563049111.db2.gz QENRJDWHOVNCOX-FBMGVBCBSA-N 1 0 496.699 5.522 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2 ZINC000027705997 563049504 /nfs/dbraw/zinc/04/95/04/563049504.db2.gz FQNDQOMFGJMDSQ-UHFFFAOYSA-N 1 0 492.619 6.224 1 0 JKAFRO Fc1ccc(N(CCC[NH+]2CCC(n3c4ccccc4[nH]c3=S)CC2)c2ccc(F)cc2)cc1 ZINC000027710353 563049753 /nfs/dbraw/zinc/04/97/53/563049753.db2.gz LHZFLAOBGSNRLT-UHFFFAOYSA-N 1 0 478.612 6.842 1 0 JKAFRO COc1cc2c(cc1OC)[C@@H](CC[NH+]1CCN(c3ccccc3Cl)CC1)OCC(C)(C)C2 ZINC000027729888 563050707 /nfs/dbraw/zinc/05/07/07/563050707.db2.gz FKHZSTICIOGZDZ-HSZRJFAPSA-N 1 0 459.030 5.210 1 0 JKAFRO COc1cc2c(cc1OC)[C@H](CC[NH+]1CCN(c3cccc(Cl)c3)CC1)OCC(C)(C)C2 ZINC000027740838 563051072 /nfs/dbraw/zinc/05/10/72/563051072.db2.gz JCQADVNJQMJDRK-QHCPKHFHSA-N 1 0 459.030 5.210 1 0 JKAFRO Clc1cc2nc(C3CC[NH2+]CC3)n(Cc3ccc(I)cc3)c2cc1Cl ZINC000027747169 563051157 /nfs/dbraw/zinc/05/11/57/563051157.db2.gz BGYHMFATNXHCEZ-UHFFFAOYSA-N 1 0 486.184 5.463 1 0 JKAFRO COc1cccc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1c(Cl)ccc(Cl)c1Cl ZINC000027846136 563051807 /nfs/dbraw/zinc/05/18/07/563051807.db2.gz AIBYDPNRZIDCCL-RDPSFJRHSA-N 1 0 481.851 5.808 1 0 JKAFRO COc1ccc(CC[NH+]2CCC([C@@](O)(c3nc4ccccc4s3)c3ccccc3)CC2)cc1 ZINC000027867412 563052413 /nfs/dbraw/zinc/05/24/13/563052413.db2.gz AHZRSQHYLLBKAE-MUUNZHRXSA-N 1 0 458.627 5.496 1 0 JKAFRO O=c1c2ccc(OC[C@H](O)C[NH2+]C3CCCC3)cc2oc(-c2ccccc2)c1-c1ccccc1 ZINC000027871505 563052420 /nfs/dbraw/zinc/05/24/20/563052420.db2.gz MSSKINBKRSPCJX-HSZRJFAPSA-N 1 0 455.554 5.399 1 0 JKAFRO COc1ccc(CC[NH+]2CCC([C@](O)(c3nc4ccccc4s3)c3ccccc3)CC2)cc1 ZINC000027867405 563052436 /nfs/dbraw/zinc/05/24/36/563052436.db2.gz AHZRSQHYLLBKAE-NDEPHWFRSA-N 1 0 458.627 5.496 1 0 JKAFRO O=c1c2ccc(OC[C@@H](O)C[NH2+]C3CCCCC3)cc2oc(-c2ccccc2)c1-c1ccccc1 ZINC000027878372 563052612 /nfs/dbraw/zinc/05/26/12/563052612.db2.gz NZFJLUIIUJINNQ-DEOSSOPVSA-N 1 0 469.581 5.789 1 0 JKAFRO CCCCCC[NH2+]C[C@@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027879059 563052631 /nfs/dbraw/zinc/05/26/31/563052631.db2.gz RTWUNQLVGDUTLZ-XMMPIXPASA-N 1 0 471.597 6.037 1 0 JKAFRO O=[S@@](c1ccccc1)[C@@H](c1ccccc1)C1(O)CC[NH+](CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000027895874 563052997 /nfs/dbraw/zinc/05/29/97/563052997.db2.gz SFQVLTFYZUJXAH-NDOVKIIASA-N 1 0 476.617 5.226 1 0 JKAFRO CN(C(=O)COc1cc(Cl)c(Cl)c(Cl)c1Cl)[C@@H]1CCCC[C@H]1[NH+]1CCCCCC1 ZINC000027899648 563053252 /nfs/dbraw/zinc/05/32/52/563053252.db2.gz VPLIZQBJXWNKFX-HZPDHXFCSA-N 1 0 482.279 6.325 1 0 JKAFRO COc1cc2c(cc1OC)C(C)(C)CO[C@@H]2CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000027900127 563053268 /nfs/dbraw/zinc/05/32/68/563053268.db2.gz KRTLVNHHWJVSMS-JOCHJYFZSA-N 1 0 478.555 5.284 1 0 JKAFRO NS(=O)(=O)c1ccc(CC[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000027999454 563054339 /nfs/dbraw/zinc/05/43/39/563054339.db2.gz PORBWRYRABBHDX-UHFFFAOYSA-N 1 0 491.636 5.865 1 0 JKAFRO COc1ccc(OCCC[N@H+](C)C2CCCCC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007366 563054566 /nfs/dbraw/zinc/05/45/66/563054566.db2.gz IWKCKEQQVNDKCP-SANMLTNESA-N 1 0 454.636 5.886 1 0 JKAFRO [NH2+]=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000028021169 563055225 /nfs/dbraw/zinc/05/52/25/563055225.db2.gz JMEVASSKPVTRFP-HSZRJFAPSA-N 1 0 473.502 6.476 1 0 JKAFRO [NH3+]Cc1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028097454 563055957 /nfs/dbraw/zinc/05/59/57/563055957.db2.gz LPCINVCZMCLEGM-UHFFFAOYSA-N 1 0 456.933 5.365 1 0 JKAFRO CCCC(=O)OCC1(N(C(=O)CCC)c2ccccc2)CC[NH+](CCc2ccccc2)CC1 ZINC000028102429 563056163 /nfs/dbraw/zinc/05/61/63/563056163.db2.gz XCHRGNXLNYSDCG-UHFFFAOYSA-N 1 0 450.623 5.240 1 0 JKAFRO CCC(=O)N(c1ccccc1)C1(COC(=O)C(C)(C)C)CC[NH+](CCc2ccccc2)CC1 ZINC000028107526 563056312 /nfs/dbraw/zinc/05/63/12/563056312.db2.gz QRCXYMGNANJACB-UHFFFAOYSA-N 1 0 450.623 5.096 1 0 JKAFRO Fc1ccc(-c2ccc(-c3nc4c(ncnc4N4C[C@H]5CC[N@H+](Cc6ccccc6)[C@@H]5C4)o3)cc2)cc1 ZINC000028108228 563056318 /nfs/dbraw/zinc/05/63/18/563056318.db2.gz ZYNFMWLBVNRZPB-AOYPEHQESA-N 1 0 491.570 5.802 1 0 JKAFRO CC(=[NH2+])N(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028110512 563056403 /nfs/dbraw/zinc/05/64/03/563056403.db2.gz XKNLDUVCXUEIJO-UHFFFAOYSA-N 1 0 470.360 5.322 1 0 JKAFRO COc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000028116238 563056570 /nfs/dbraw/zinc/05/65/70/563056570.db2.gz YLLQTYFPCPQMDK-NVQXNPDNSA-N 1 0 453.602 5.469 1 0 JKAFRO COc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000028116232 563056569 /nfs/dbraw/zinc/05/65/69/563056569.db2.gz YLLQTYFPCPQMDK-GJZUVCINSA-N 1 0 453.602 5.469 1 0 JKAFRO CCC[NH+]1CCN(c2ccc(C(=O)c3c4ccc(O)cc4sc3-c3ccc(O)cc3)cc2)CC1 ZINC000028121950 563056856 /nfs/dbraw/zinc/05/68/56/563056856.db2.gz WGTIVECTUKJFEB-UHFFFAOYSA-N 1 0 472.610 5.743 1 0 JKAFRO Cc1ccc(Nc2ncnn3cc(NC(=O)OCCC[NH+]4CCCCC4)c(C(C)C)c23)cc1O ZINC000028130420 563057197 /nfs/dbraw/zinc/05/71/97/563057197.db2.gz RUERFYVNVUJNSW-UHFFFAOYSA-N 1 0 466.586 5.035 1 0 JKAFRO O=C(c1ccnc2ccccc21)N1CCC([NH+]2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000028130042 563057244 /nfs/dbraw/zinc/05/72/44/563057244.db2.gz JHWMHYPVQFVHIT-UHFFFAOYSA-N 1 0 482.455 6.101 1 0 JKAFRO Cc1ccccc1CC(=O)N1CCC([NH+]2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000028131260 563057299 /nfs/dbraw/zinc/05/72/99/563057299.db2.gz GDVQQVKRPIBZGQ-UHFFFAOYSA-N 1 0 459.461 5.790 1 0 JKAFRO CCC[N@H+](CCC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028133497 563057491 /nfs/dbraw/zinc/05/74/91/563057491.db2.gz SGDCHFYJEJDSGX-UHFFFAOYSA-N 1 0 486.818 7.878 1 0 JKAFRO Cc1ccc(Cl)c(OC2(CC[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)CCCCC2)c1 ZINC000028134656 563057497 /nfs/dbraw/zinc/05/74/97/563057497.db2.gz MKACZIXYZBAILC-UHFFFAOYSA-N 1 0 468.041 6.100 1 0 JKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCCCCOc1ccccc1 ZINC000028222975 563058000 /nfs/dbraw/zinc/05/80/00/563058000.db2.gz PEMYEAWVYDLPAE-DEOSSOPVSA-N 1 0 493.692 6.890 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028230199 563058313 /nfs/dbraw/zinc/05/83/13/563058313.db2.gz QNUQOOIXQMSABG-UHFFFAOYSA-N 1 0 474.008 5.382 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(-c3cccc(C(N)=[NH2+])c3)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028232888 563058319 /nfs/dbraw/zinc/05/83/19/563058319.db2.gz MHBRNQSAJVURDJ-UHFFFAOYSA-N 1 0 479.971 6.191 1 0 JKAFRO Cc1cc(C(=O)Nc2ccc(-c3ccccc3C[NH+](C)C)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028234415 563058456 /nfs/dbraw/zinc/05/84/56/563058456.db2.gz VTIFDOBLLNTLSJ-UHFFFAOYSA-N 1 0 495.026 6.968 1 0 JKAFRO O=C1/C(=C/c2ccccc2)c2ccccc2N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000028239248 563058666 /nfs/dbraw/zinc/05/86/66/563058666.db2.gz SVSXJEHCGDMBTP-LHLOQNFPSA-N 1 0 458.005 5.440 1 0 JKAFRO CC(=O)N1CCc2ccc(N(C(=O)/C=C\c3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000028245254 563058847 /nfs/dbraw/zinc/05/88/47/563058847.db2.gz RPUTVAIXMBFZLI-QINSGFPZSA-N 1 0 479.624 5.307 1 0 JKAFRO Oc1ccc2c(c1)CC[C@@H]1c3ccc(O)cc3C[C@H](c3ccc(OCC[NH+]4CCCCC4)cc3)[C@H]21 ZINC000028262868 563059379 /nfs/dbraw/zinc/05/93/79/563059379.db2.gz VSRTVMSVXZRISK-JFHPUIQFSA-N 1 0 469.625 6.116 1 0 JKAFRO O=C(c1cnnc2ccccc21)N1CCC([NH+]2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000028331226 563059596 /nfs/dbraw/zinc/05/95/96/563059596.db2.gz INRDXFLYZZTPAF-UHFFFAOYSA-N 1 0 483.443 5.496 1 0 JKAFRO FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1C[NH+](CC1CC1)CC1CC1 ZINC000028331128 563059626 /nfs/dbraw/zinc/05/96/26/563059626.db2.gz NZZKWIYCGSZOML-UHFFFAOYSA-N 1 0 484.802 7.488 1 0 JKAFRO CCN(C(=O)NCc1ccccc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028333287 563059700 /nfs/dbraw/zinc/05/97/00/563059700.db2.gz SIVKXCGNYRNTBX-UHFFFAOYSA-N 1 0 455.646 5.905 1 0 JKAFRO CC[NH+](CC)CCOc1ccc(Nc2ncc3c(C)c(-c4c(C)cccc4C)c(=O)n(C)c3n2)cc1 ZINC000028333531 563059738 /nfs/dbraw/zinc/05/97/38/563059738.db2.gz SCXAQLWEFWQGGR-UHFFFAOYSA-N 1 0 485.632 5.385 1 0 JKAFRO CC[NH+](CC)CCOc1ccc(Nc2ncc3c(C)c(-c4ccccc4Cl)c(=O)n(C)c3n2)cc1 ZINC000028333878 563059801 /nfs/dbraw/zinc/05/98/01/563059801.db2.gz XPRLKGXPWFZGHU-UHFFFAOYSA-N 1 0 492.023 5.422 1 0 JKAFRO C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H](C)[C@@H]2c2ccc(O)cc2)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000028335298 563059820 /nfs/dbraw/zinc/05/98/20/563059820.db2.gz AUBNMBTYWOGQSO-DEEMMSLNSA-N 1 0 473.613 6.228 1 0 JKAFRO CC[NH+]1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028336638 563060022 /nfs/dbraw/zinc/06/00/22/563060022.db2.gz QYUFCZSIEVIMAJ-UHFFFAOYSA-N 1 0 485.619 7.184 1 0 JKAFRO C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H](C)[C@@H]2c2ccc(O)cc2)cc1)[NH+]1CCCC1 ZINC000028341030 563060468 /nfs/dbraw/zinc/06/04/68/563060468.db2.gz YGIGTTQRWLXDFG-WYSYQWHRSA-N 1 0 459.586 5.982 1 0 JKAFRO C[C@H]1CCC[N@@H+]1CCOc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1 ZINC000028349080 563060947 /nfs/dbraw/zinc/06/09/47/563060947.db2.gz WLGDFYOOSGHIPS-RHLLTPQKSA-N 1 0 463.599 5.928 1 0 JKAFRO CN(C(=O)N1Cc2ccccc2C1=O)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028352447 563061167 /nfs/dbraw/zinc/06/11/67/563061167.db2.gz VWNCBMHIFGAMEW-UHFFFAOYSA-N 1 0 467.613 5.381 1 0 JKAFRO CC[C@H](C[NH+]1CCCC1)Oc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1 ZINC000028353214 563061215 /nfs/dbraw/zinc/06/12/15/563061215.db2.gz NWKCPPJDKLUHDY-KEKPKEOLSA-N 1 0 477.626 6.318 1 0 JKAFRO Oc1ccc2c(c1)sc1c2[C@H](c2ccc([C@@H](O)CC[NH+]3CCCCC3)cc2)c2ccccc2C1 ZINC000028371395 563062369 /nfs/dbraw/zinc/06/23/69/563062369.db2.gz VAYMOEILCNGWNC-LITSAYRRSA-N 1 0 469.650 6.601 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[N@@H+]3CC4CCC3CC4)cc2)cc1 ZINC000028372885 563062487 /nfs/dbraw/zinc/06/24/87/563062487.db2.gz WLRPZACUIBZQLB-ICRVGQFUSA-N 1 0 489.637 6.318 1 0 JKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCC(F)(F)CC3)cc2)cc1 ZINC000028379729 563062841 /nfs/dbraw/zinc/06/28/41/563062841.db2.gz CUYHFNHMFKPTRI-IZZNHLLZSA-N 1 0 499.579 6.175 1 0 JKAFRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000028380542 563062876 /nfs/dbraw/zinc/06/28/76/563062876.db2.gz JGFYMGYAGKJKPX-UHFFFAOYSA-N 1 0 490.604 5.227 1 0 JKAFRO COc1cc2[nH]c(=O)c3c(c2cc1OC)CCC[C@@H]3[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000028381913 563062936 /nfs/dbraw/zinc/06/29/36/563062936.db2.gz RTNIBKAKSMVQOQ-QHCPKHFHSA-N 1 0 468.544 5.156 1 0 JKAFRO CCNC(=O)c1ccc(C(c2ccc(CO)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccsc2)cc1 ZINC000028391400 563063618 /nfs/dbraw/zinc/06/36/18/563063618.db2.gz JNOAWYAGILVDHC-MKPDMIMOSA-N 1 0 472.654 5.619 1 0 JKAFRO CCNC(=O)c1ccc(C(c2cccc(CO)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028391391 563063623 /nfs/dbraw/zinc/06/36/23/563063623.db2.gz MHLNZUHNQUGTNQ-MKPDMIMOSA-N 1 0 456.586 5.151 1 0 JKAFRO CCNC(=O)c1ccc(C(c2cnc3ccccc3c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028393179 563063684 /nfs/dbraw/zinc/06/36/84/563063684.db2.gz TZLCPVVZKIJKFX-HNRBIFIRSA-N 1 0 477.608 6.206 1 0 JKAFRO S=C(NCCC[NH2+]Cc1cc(Br)cc(Br)c1)Nc1ccccc1Cl ZINC000028393675 563063736 /nfs/dbraw/zinc/06/37/36/563063736.db2.gz WKOMRQPCIZUBJS-UHFFFAOYSA-N 1 0 491.680 5.331 1 0 JKAFRO CC(C)(C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1)c1ccc(Cl)cc1 ZINC000028397025 563063829 /nfs/dbraw/zinc/06/38/29/563063829.db2.gz NIZGSDZORUCVHS-UHFFFAOYSA-N 1 0 482.093 5.360 1 0 JKAFRO [NH3+]CCCCn1c(SCCc2c[nH]c3c2cccc3Cl)nnc1-c1ccc2ccccc2n1 ZINC000028457805 563064268 /nfs/dbraw/zinc/06/42/68/563064268.db2.gz IAQRYTGTYQRUQR-UHFFFAOYSA-N 1 0 477.037 5.702 1 0 JKAFRO [NH3+]CCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2cc(F)ccc2n1 ZINC000028457957 563064347 /nfs/dbraw/zinc/06/43/47/563064347.db2.gz BGUJPVMBMTYIJF-UHFFFAOYSA-N 1 0 460.582 5.187 1 0 JKAFRO CC[N@H+](CCC1CC1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028463660 563064911 /nfs/dbraw/zinc/06/49/11/563064911.db2.gz FZCQJARVZGTQEK-UHFFFAOYSA-N 1 0 468.567 6.844 1 0 JKAFRO C[NH+](C)CCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 ZINC000028468405 563065153 /nfs/dbraw/zinc/06/51/53/563065153.db2.gz RAQKPYIMZIZVPO-UHFFFAOYSA-N 1 0 469.658 6.256 1 0 JKAFRO O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[NH+](C2CCCCC2)CC1)Nc1ccccc1 ZINC000028522343 563066513 /nfs/dbraw/zinc/06/65/13/563066513.db2.gz AHHOJFQACICXEL-DEOSSOPVSA-N 1 0 474.571 5.519 1 0 JKAFRO CC(C)(C)c1ccc([C@@H](CNC(=O)Nc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028522225 563066536 /nfs/dbraw/zinc/06/65/36/563066536.db2.gz ZJTXGBBFIYXPJP-HHHXNRCGSA-N 1 0 462.682 5.797 1 0 JKAFRO COc1cc2c(cc1N1CC[NH+](C)CC1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2 ZINC000028522553 563066604 /nfs/dbraw/zinc/06/66/04/563066604.db2.gz VRZFVFUNXILBIL-UHFFFAOYSA-N 1 0 492.623 5.174 1 0 JKAFRO O=C(Nc1ccccc1NC(=O)c1ccc2cc[nH]c2c1)OCC1CCN(c2cc[nH+]cc2)CC1 ZINC000028522998 563066647 /nfs/dbraw/zinc/06/66/47/563066647.db2.gz RMZGLGIDBJZDHV-UHFFFAOYSA-N 1 0 469.545 5.280 1 0 JKAFRO O=C(NC[C@@H](c1ccccc1)N1CC[NH+](C2CCCCC2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000028523046 563066681 /nfs/dbraw/zinc/06/66/81/563066681.db2.gz BCSKODLJXCHOJX-DEOSSOPVSA-N 1 0 474.571 5.519 1 0 JKAFRO CN(C)c1ccc(CC[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028523636 563066903 /nfs/dbraw/zinc/06/69/03/563066903.db2.gz IIFVPKZATLNHGU-NDEPHWFRSA-N 1 0 496.621 5.467 1 0 JKAFRO COC[C@@H]1CCC[N@@H+]1CCn1ncc2cc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 ZINC000028524192 563067126 /nfs/dbraw/zinc/06/71/26/563067126.db2.gz XQPIUMZQPPLXSB-DEOSSOPVSA-N 1 0 485.588 5.583 1 0 JKAFRO COc1cc2c(cc1N1C[C@@H](C)[NH2+][C@@H](C)C1)N(C(=O)c1ccc(-c3ccc(C(C)=O)cc3C)cc1)CC2 ZINC000028524488 563067263 /nfs/dbraw/zinc/06/72/63/563067263.db2.gz BSJHTYPPLODIKY-OYRHEFFESA-N 1 0 497.639 5.263 1 0 JKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CCC[NH2+]C2CCCC2)c1 ZINC000028524889 563067327 /nfs/dbraw/zinc/06/73/27/563067327.db2.gz DFSPHRXFDNSOGP-UHFFFAOYSA-N 1 0 469.589 6.395 1 0 JKAFRO c1ccc(C[C@H]2CN(c3cc(-c4ccncc4)c(-c4cccc5ccccc54)nn3)CC[NH2+]2)cc1 ZINC000028524971 563067366 /nfs/dbraw/zinc/06/73/66/563067366.db2.gz XIVCTUUZZNBGSI-VWLOTQADSA-N 1 0 457.581 5.380 1 0 JKAFRO CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCCN1Cc1cccc(Br)c1 ZINC000028564717 563069189 /nfs/dbraw/zinc/06/91/89/563069189.db2.gz GLHVIBUSWVRMQL-CLJLJLNGSA-N 1 0 481.478 5.539 1 0 JKAFRO COc1cc(C[NH+]2CCC(N3C(=O)Nc4ccccc4[C@@H]3c3ccccc3)CC2)cc(OC)c1OC ZINC000028568207 563070019 /nfs/dbraw/zinc/07/00/19/563070019.db2.gz OYOUVGRLDPUPBY-MHZLTWQESA-N 1 0 487.600 5.314 1 0 JKAFRO COc1cc(C[NH+]2CCC(N3C(=O)Nc4ccccc4[C@@H]3c3ccccc3)CC2)cc(OC)c1 ZINC000028568134 563070033 /nfs/dbraw/zinc/07/00/33/563070033.db2.gz LVTCLDFSGDZRNY-MHZLTWQESA-N 1 0 457.574 5.305 1 0 JKAFRO O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000028636854 563071849 /nfs/dbraw/zinc/07/18/49/563071849.db2.gz SLRJADSWYSEKOR-MHZLTWQESA-N 1 0 457.614 5.197 1 0 JKAFRO O=C(CCc1ccccc1)c1ccc(OC[C@H](O)C[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000028636848 563071895 /nfs/dbraw/zinc/07/18/95/563071895.db2.gz KCGHIRCECWCQOC-SSEXGKCCSA-N 1 0 493.647 6.054 1 0 JKAFRO O=C(CCC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1)Nc1ccc(Cl)cc1Cl ZINC000028647025 563073472 /nfs/dbraw/zinc/07/34/72/563073472.db2.gz LSSMUSDFLYRDMT-UHFFFAOYSA-N 1 0 458.792 5.322 1 0 JKAFRO COc1cccc(N2CC[NH+](CCCC(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)CC2)c1 ZINC000028647184 563073570 /nfs/dbraw/zinc/07/35/70/563073570.db2.gz PLHVKTJAFVJYHK-UHFFFAOYSA-N 1 0 456.801 5.196 1 0 JKAFRO COc1ccccc1N1CC[NH+](CCCC(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000028647181 563073584 /nfs/dbraw/zinc/07/35/84/563073584.db2.gz QWRXAOHMOVIETR-UHFFFAOYSA-N 1 0 456.801 5.196 1 0 JKAFRO CC(=O)c1ccc(C2=CC[C@H](N(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650263 563073753 /nfs/dbraw/zinc/07/37/53/563073753.db2.gz JPJRQKREDRIUHQ-FQEVSTJZSA-N 1 0 490.044 6.309 1 0 JKAFRO O=C(Nc1ccc(F)c(Cl)c1)N(CC[NH+]1CCCC1)[C@H]1CC=C(c2cc3ccccc3o2)CC1 ZINC000028650239 563073757 /nfs/dbraw/zinc/07/37/57/563073757.db2.gz AQGJEMXORVBGAH-QFIPXVFZSA-N 1 0 481.999 6.791 1 0 JKAFRO CC(=O)c1ccc(C2=CC[C@@H](N(CC[NH+]3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650259 563073778 /nfs/dbraw/zinc/07/37/78/563073778.db2.gz JPJRQKREDRIUHQ-HXUWFJFHSA-N 1 0 490.044 6.309 1 0 JKAFRO O=C(OCCCC[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000028650648 563073866 /nfs/dbraw/zinc/07/38/66/563073866.db2.gz MVIZKYMCKNLHOB-UHFFFAOYSA-N 1 0 461.577 6.033 1 0 JKAFRO Nc1nc([C@H](CC[NH+]2CCCCC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702701 563074697 /nfs/dbraw/zinc/07/46/97/563074697.db2.gz XFVWAKPKFXKTQB-INIZCTEOSA-N 1 0 494.505 5.039 1 0 JKAFRO CNc1cc(-c2c(C)cccc2C)cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc21 ZINC000028702886 563074757 /nfs/dbraw/zinc/07/47/57/563074757.db2.gz VPQXLOMEHCTHBL-UHFFFAOYSA-N 1 0 468.605 5.569 1 0 JKAFRO CC(C)c1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000028710084 563076007 /nfs/dbraw/zinc/07/60/07/563076007.db2.gz LSMUQPOCAXNDRJ-UHFFFAOYSA-N 1 0 487.665 8.054 1 0 JKAFRO Oc1ccc2c(ccc(-c3cccc(F)c3)c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000028710034 563076011 /nfs/dbraw/zinc/07/60/11/563076011.db2.gz ZPECPOOQJUIDLY-UHFFFAOYSA-N 1 0 457.545 7.009 1 0 JKAFRO Oc1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000028710032 563076048 /nfs/dbraw/zinc/07/60/48/563076048.db2.gz LXRGAVBXYQAUEY-UHFFFAOYSA-N 1 0 455.554 6.575 1 0 JKAFRO Cc1ccc(NC(=O)C(C)C)cc1C1CC[NH+](CCCNC(=O)[C@H](C)c2ccc(F)cc2)CC1 ZINC000028710187 563076055 /nfs/dbraw/zinc/07/60/55/563076055.db2.gz AFEOXYGIEXXWKX-OAQYLSRUSA-N 1 0 467.629 5.218 1 0 JKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](Cc3cccc(Oc4ccc(Cl)c(Cl)c4)c3)CC2)c1 ZINC000028710581 563076161 /nfs/dbraw/zinc/07/61/61/563076161.db2.gz PRZKEUYSBKIHQC-UHFFFAOYSA-N 1 0 497.466 7.760 1 0 JKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)c1 ZINC000028710589 563076163 /nfs/dbraw/zinc/07/61/63/563076163.db2.gz MJDBJIACJNGVIM-UHFFFAOYSA-N 1 0 464.556 6.731 1 0 JKAFRO Clc1cccc(N2CC[NH+](CCCCOc3ccc(-c4cn5ccccc5n4)cc3)CC2)c1Cl ZINC000028711423 563076462 /nfs/dbraw/zinc/07/64/62/563076462.db2.gz LCQHZYPIAQQJES-UHFFFAOYSA-N 1 0 495.454 6.289 1 0 JKAFRO Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000028711895 563076699 /nfs/dbraw/zinc/07/66/99/563076699.db2.gz KYGGFRZALCCXKR-QFIPXVFZSA-N 1 0 485.603 6.424 1 0 JKAFRO CCCCN(C)c1ccc2nc(-c3ccccc3OC)n(C[C@@H]3CCC[N@H+](CC)C3)c(=O)c2c1 ZINC000028712131 563076779 /nfs/dbraw/zinc/07/67/79/563076779.db2.gz MFHFVHMRADFDJS-OAQYLSRUSA-N 1 0 462.638 5.040 1 0 JKAFRO COc1ccccc1-c1nnc(SCCC[N@@H+]2CCc3ccc(-c4cc(C)on4)cc3CC2)n1C ZINC000028712495 563077053 /nfs/dbraw/zinc/07/70/53/563077053.db2.gz PKAXIMFUJIQFKS-UHFFFAOYSA-N 1 0 489.645 5.037 1 0 JKAFRO CCCCN[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]([NH2+]CCCC)c1ccc(Cl)c(Cl)c1 ZINC000028765083 563078596 /nfs/dbraw/zinc/07/85/96/563078596.db2.gz UXKYQZRABDQNHH-VXKWHMMOSA-N 1 0 462.292 7.862 1 0 JKAFRO CCCCN[C@H](c1ccc(Cl)c(Cl)c1)[C@H]([NH2+]CCCC)c1ccc(Cl)c(Cl)c1 ZINC000028765085 563078624 /nfs/dbraw/zinc/07/86/24/563078624.db2.gz UXKYQZRABDQNHH-FGZHOGPDSA-N 1 0 462.292 7.862 1 0 JKAFRO CCCOc1ccc2c(c1)CC[C@H]([N@H+](CC)CCCCOC(=O)c1ccc(OC)c(OC)c1)C2 ZINC000028766629 563078812 /nfs/dbraw/zinc/07/88/12/563078812.db2.gz XPNJHQDIPGMLSA-DEOSSOPVSA-N 1 0 469.622 5.309 1 0 JKAFRO CC[NH+](CC)C1CCC(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc32)CC1 ZINC000028770625 563079168 /nfs/dbraw/zinc/07/91/68/563079168.db2.gz LPTHTGDLWCPMOV-UHFFFAOYSA-N 1 0 458.437 6.745 1 0 JKAFRO CON=c1nc[nH]c2c1[n+](CC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)cn2C ZINC000028816602 563079521 /nfs/dbraw/zinc/07/95/21/563079521.db2.gz SQXSPUFOXVOKCO-XEONKVMSSA-N 1 0 458.715 6.615 1 0 JKAFRO CON=c1nc[nH]c2c1[n+](CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)cn2C ZINC000028816565 563079594 /nfs/dbraw/zinc/07/95/94/563079594.db2.gz BPVXQPOOGQHNQS-IYRYOAFKSA-N 1 0 452.667 6.375 1 0 JKAFRO CCn1cnc2nc(NCc3ccc(Cl)cc3Cl)nc(N[C@H](C)CCC[NH+](CC)CC)c21 ZINC000028817832 563079948 /nfs/dbraw/zinc/07/99/48/563079948.db2.gz SOKWMJWHTQHPOM-MRXNPFEDSA-N 1 0 478.472 5.688 1 0 JKAFRO C[C@H]1C[NH+](Cc2ccc(CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)C[C@H](C)O1 ZINC000028821663 563080695 /nfs/dbraw/zinc/08/06/95/563080695.db2.gz AWVOBGFKVYPFBL-OALUTQOASA-N 1 0 484.587 7.118 1 0 JKAFRO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@H+](C)CCO)ccn32)n1)c1ccccc1 ZINC000028822146 563080945 /nfs/dbraw/zinc/08/09/45/563080945.db2.gz OWPJUFRFPZDUQE-FQEVSTJZSA-N 1 0 496.590 5.195 1 0 JKAFRO COc1cc(-c2csc3c2c(N)ncc3/C=C/C[NH3+])ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822583 563081251 /nfs/dbraw/zinc/08/12/51/563081251.db2.gz ILBNLOZJWDFVCU-FNORWQNLSA-N 1 0 483.597 5.270 1 0 JKAFRO O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000028824805 563081981 /nfs/dbraw/zinc/08/19/81/563081981.db2.gz WMFYZSIEEVSTSW-AATRIKPKSA-N 1 0 481.562 5.717 1 0 JKAFRO Cc1ccccc1CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCC(CC2CCC([NH3+])CC2)CC1 ZINC000028825991 563082353 /nfs/dbraw/zinc/08/23/53/563082353.db2.gz IDOPPNYMQVVOJO-UHFFFAOYSA-N 1 0 499.743 7.294 1 0 JKAFRO Cc1ccc([C@H]([NH3+])CC(C)C)c(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)CC2)n1 ZINC000028826800 563082521 /nfs/dbraw/zinc/08/25/21/563082521.db2.gz BONGGUKXPVMFJN-UZUQRXQVSA-N 1 0 477.480 5.270 1 0 JKAFRO CC(C)C1=N[C@H]2CC=C3C[C@@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000028827197 563082879 /nfs/dbraw/zinc/08/28/79/563082879.db2.gz AICOOMRHRUFYCM-ZIQVUXOBSA-N 1 0 484.725 5.125 1 0 JKAFRO O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCC(=C2c3ccsc3C(=O)Cc3ccccc32)CC1 ZINC000028869911 563084019 /nfs/dbraw/zinc/08/40/19/563084019.db2.gz REKOUMNGFHDWDG-UHFFFAOYSA-N 1 0 496.632 5.461 1 0 JKAFRO O=C(NCCCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000028869796 563084023 /nfs/dbraw/zinc/08/40/23/563084023.db2.gz BYOXBMSRXGFRQY-HHHXNRCGSA-N 1 0 468.085 5.524 1 0 JKAFRO O=C(NCCCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cccs1 ZINC000028869784 563084077 /nfs/dbraw/zinc/08/40/77/563084077.db2.gz CUKXVIBQJUBHRB-RUZDIDTESA-N 1 0 468.066 5.319 1 0 JKAFRO O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCC(N(Cc2ccccc2)c2ccccc2)CC1 ZINC000028869948 563084083 /nfs/dbraw/zinc/08/40/83/563084083.db2.gz GKIMLDRVPMXRGW-UHFFFAOYSA-N 1 0 467.613 5.234 1 0 JKAFRO Cc1cnccc1/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC1=CC3=CC[C@@H]([NH+](C)C)C[C@]34CC[C@@]12O4 ZINC000028872536 563084193 /nfs/dbraw/zinc/08/41/93/563084193.db2.gz DWEARRASECQSHP-KCOTYOCKSA-N 1 0 458.690 6.744 1 0 JKAFRO COc1cc2c(cc1OC)[C@@H]1[C@H]3Cc4ccccc4CN3[C@@H](Cc3cccc4ccccc43)[C@H](C2)[N@@H+]1C ZINC000028880563 563084714 /nfs/dbraw/zinc/08/47/14/563084714.db2.gz JKUHXVDPZIVTHA-HBRHGHBMSA-N 1 0 490.647 5.806 1 0 JKAFRO OCC1([NH2+]CCC[C@@H]2CCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)CCCC1 ZINC000028880932 563084735 /nfs/dbraw/zinc/08/47/35/563084735.db2.gz YQSWBGWFQXIBPI-LJQANCHMSA-N 1 0 482.024 5.674 1 0 JKAFRO Cc1ccc2c(cc(Cl)cc2OCC[NH+]2CCC(Cc3cc(F)c4c(c3)NC(=O)CO4)CC2)n1 ZINC000028887302 563085011 /nfs/dbraw/zinc/08/50/11/563085011.db2.gz VNCBCPIVWAMDIB-UHFFFAOYSA-N 1 0 483.971 5.000 1 0 JKAFRO CC1(C)CC[C@@H]([NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c2cc(Cl)c(Cl)cc21 ZINC000028886399 563085021 /nfs/dbraw/zinc/08/50/21/563085021.db2.gz GAXICRLQZFWIKP-JOCHJYFZSA-N 1 0 458.433 5.534 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+](C)CCc1ccccn1 ZINC000028903851 563086441 /nfs/dbraw/zinc/08/64/41/563086441.db2.gz IRWPFZHJKZQNRC-UHFFFAOYSA-N 1 0 458.997 5.321 1 0 JKAFRO CC[N@H+](CCc1ccccc1)Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903760 563086517 /nfs/dbraw/zinc/08/65/17/563086517.db2.gz ORVCRMXDRRMSFI-UHFFFAOYSA-N 1 0 472.036 6.316 1 0 JKAFRO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028903383 563086532 /nfs/dbraw/zinc/08/65/32/563086532.db2.gz AZRZXCRQDGIRRE-UHFFFAOYSA-N 1 0 469.555 6.239 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000028903786 563086553 /nfs/dbraw/zinc/08/65/53/563086553.db2.gz RXVZIOKWBWYSOH-QHCPKHFHSA-N 1 0 484.047 6.459 1 0 JKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000028903800 563086566 /nfs/dbraw/zinc/08/65/66/563086566.db2.gz UHFPWYDXZYELGS-QHCPKHFHSA-N 1 0 484.047 6.316 1 0 JKAFRO O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000028952786 563087760 /nfs/dbraw/zinc/08/77/60/563087760.db2.gz DLAYCJBYBGIRHS-UHFFFAOYSA-N 1 0 458.440 6.359 1 0 JKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(N3CCN(c4cc(F)cc(C(F)(F)F)c4)C3=O)CC1)=CC2 ZINC000028957144 563088426 /nfs/dbraw/zinc/08/84/26/563088426.db2.gz VGKWHTUGPLDPNK-JTSKRJEESA-N 1 0 465.535 5.543 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000028957576 563088452 /nfs/dbraw/zinc/08/84/52/563088452.db2.gz BNRBTHYNGSWGLJ-VZUCSPMQSA-N 1 0 479.879 6.826 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000028957619 563088491 /nfs/dbraw/zinc/08/84/91/563088491.db2.gz TWHVEWAXEFJHOY-VZUCSPMQSA-N 1 0 461.433 5.878 1 0 JKAFRO CC(C)[NH+]1CCC(COC[C@@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2F)CC1 ZINC000028957730 563088493 /nfs/dbraw/zinc/08/84/93/563088493.db2.gz CGNLCPXSULXNCO-RUZDIDTESA-N 1 0 472.004 5.569 1 0 JKAFRO COc1ccccc1C1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000028957812 563088499 /nfs/dbraw/zinc/08/84/99/563088499.db2.gz CBMZSCLEORCBGD-VQHVLOKHSA-N 1 0 487.471 6.133 1 0 JKAFRO C[NH+]1CCC(COC[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2Cl)CC1 ZINC000028957798 563088529 /nfs/dbraw/zinc/08/85/29/563088529.db2.gz LQLATHYUZIYBKS-QHCPKHFHSA-N 1 0 460.405 5.304 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@H]3CC[C@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 ZINC000028957882 563088571 /nfs/dbraw/zinc/08/85/71/563088571.db2.gz WTRAKJGFQMWFED-CKWQGRDOSA-N 1 0 472.551 5.290 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC000028957827 563088582 /nfs/dbraw/zinc/08/85/82/563088582.db2.gz AKKGFQRBBVGLEB-KRXBUXKQSA-N 1 0 491.890 6.778 1 0 JKAFRO COc1ccc(C2CC[NH+](C[C@@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 ZINC000028957875 563088583 /nfs/dbraw/zinc/08/85/83/563088583.db2.gz WTRAKJGFQMWFED-OJACVWAZSA-N 1 0 472.551 5.290 1 0 JKAFRO CCC(CC)n1cc2c3c1cc(C)[nH+]c3N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2 ZINC000028958631 563088676 /nfs/dbraw/zinc/08/86/76/563088676.db2.gz VDSMSJWLEJGXKA-UHFFFAOYSA-N 1 0 455.446 7.438 1 0 JKAFRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CCOc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 ZINC000028960848 563088921 /nfs/dbraw/zinc/08/89/21/563088921.db2.gz RYABHZCNNGZUHA-DEOSSOPVSA-N 1 0 468.601 5.461 1 0 JKAFRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCOc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 ZINC000028960858 563088935 /nfs/dbraw/zinc/08/89/35/563088935.db2.gz SCJZQQQHAFLNNH-HSZRJFAPSA-N 1 0 484.600 5.161 1 0 JKAFRO NC(=O)c1ccc2[nH]c(-c3ccc(OCC[C@@H]4CCCC[N@@H+]4Cc4ccc(Cl)cc4)cc3)nc2c1 ZINC000028960872 563088992 /nfs/dbraw/zinc/08/89/92/563088992.db2.gz OLGDSVAGYXUQFQ-QHCPKHFHSA-N 1 0 489.019 5.806 1 0 JKAFRO NC(=O)c1ccc2[nH]c(-c3ccc(OCCC4CC[NH+](Cc5ccc(Cl)cc5)CC4)cc3)nc2c1 ZINC000028960919 563089061 /nfs/dbraw/zinc/08/90/61/563089061.db2.gz SKXACUZBJSCLOS-UHFFFAOYSA-N 1 0 489.019 5.663 1 0 JKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2c(F)cccc2F)n1 ZINC000028963648 563089203 /nfs/dbraw/zinc/08/92/03/563089203.db2.gz ZWUZOXXCKDFNPP-UHFFFAOYSA-N 1 0 488.517 5.549 1 0 JKAFRO CCNC(=O)c1noc(-c2cc(-c3ccccc3)c(O)cc2O)c1-c1ccc(C[NH+](CC)CC)cc1 ZINC000028966187 563089390 /nfs/dbraw/zinc/08/93/90/563089390.db2.gz YAYJACNPYWHUDS-UHFFFAOYSA-N 1 0 485.584 5.678 1 0 JKAFRO O=C(Nc1nc2ccc(NC(=O)[C@H]3CCC[C@H]([NH2+]Cc4ccc5ccccc5c4)C3)cc2s1)C1CC1 ZINC000028967799 563089528 /nfs/dbraw/zinc/08/95/28/563089528.db2.gz JGTULUAPQFSBCZ-GOTSBHOMSA-N 1 0 498.652 6.085 1 0 JKAFRO COc1cc(/C=C/C(=O)O[C@@H]2CC[C@H](CCCCCCCCCCC(C)=O)[NH2+][C@@H]2C)ccc1O ZINC000028973413 563089854 /nfs/dbraw/zinc/08/98/54/563089854.db2.gz STSLNURRVKPSHZ-VQQILSIJSA-N 1 0 473.654 5.956 1 0 biogenic,in-vitro JKAFRO CC[NH+](CC)CCOc1ccc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1 ZINC000028979801 563090432 /nfs/dbraw/zinc/09/04/32/563090432.db2.gz FOMAIMPXVLHOCI-UHFFFAOYSA-N 1 0 489.407 5.892 1 0 JKAFRO O=C(Cc1ccccc1)N[C@@H]1CCc2ccc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc21 ZINC000029038642 563090782 /nfs/dbraw/zinc/09/07/82/563090782.db2.gz AKTHZRZKYPJJRC-HHHXNRCGSA-N 1 0 496.680 5.007 1 0 JKAFRO Cc1cccnc1C(=O)N1CCC(C)([NH+]2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 ZINC000029040893 563091529 /nfs/dbraw/zinc/09/15/29/563091529.db2.gz KFPNMAHHOBQVHI-UHFFFAOYSA-N 1 0 469.633 5.082 1 0 JKAFRO O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3ccc4[nH]ccc4c3)ccc21 ZINC000029048570 563092657 /nfs/dbraw/zinc/09/26/57/563092657.db2.gz MTWRGQNBACFUJM-IMRQLAEWSA-N 1 0 491.595 5.620 1 0 JKAFRO O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3cccc(F)c3)ccc21 ZINC000029048865 563092755 /nfs/dbraw/zinc/09/27/55/563092755.db2.gz KQRDIRBYBYKEFD-ONUIUJJFSA-N 1 0 470.548 5.278 1 0 JKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2c1cc(F)cc2Cl ZINC000029052542 563093075 /nfs/dbraw/zinc/09/30/75/563093075.db2.gz KNEUZAWRNQLRCJ-DEOSSOPVSA-N 1 0 464.412 5.725 1 0 JKAFRO CC[C@]1(CCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2cc(Cl)cc(Cl)c2NC1=O ZINC000029052514 563093121 /nfs/dbraw/zinc/09/31/21/563093121.db2.gz VNLFLMFHMDJXGU-DEOSSOPVSA-N 1 0 480.867 6.239 1 0 JKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)c(Cl)cc21 ZINC000029055337 563093527 /nfs/dbraw/zinc/09/35/27/563093527.db2.gz UGUFLBWATQHHEI-DEOSSOPVSA-N 1 0 464.412 5.725 1 0 JKAFRO CC[C@]1(CCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2c1cc(F)cc2Cl ZINC000029055350 563093615 /nfs/dbraw/zinc/09/36/15/563093615.db2.gz YSUCDXCEMDVJIT-XMMPIXPASA-N 1 0 464.412 5.725 1 0 JKAFRO Cn1c2cc(CCCC[NH+](C)C)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000029126893 563095296 /nfs/dbraw/zinc/09/52/96/563095296.db2.gz ZFKVTUWRIGGMCQ-UHFFFAOYSA-N 1 0 475.976 5.125 1 0 JKAFRO Fc1ccc(C[C@@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CC[N@@H+](Cc2cccnc2)C3)cc1 ZINC000029128070 563096052 /nfs/dbraw/zinc/09/60/52/563096052.db2.gz NNNYOHDJEYLLKD-LJAQVGFWSA-N 1 0 468.551 5.620 1 0 JKAFRO COc1cc(-c2nn(-c3ccccc3)[n+](-c3ccc(Cl)cc3)n2)ccc1OCc1ccccc1 ZINC000029130643 563096982 /nfs/dbraw/zinc/09/69/82/563096982.db2.gz MITNHVPMCKBEDW-UHFFFAOYSA-N 1 0 469.952 5.452 1 0 JKAFRO Nc1[nH+]c2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)cc2n1-c1ccccc1 ZINC000029130806 563097113 /nfs/dbraw/zinc/09/71/13/563097113.db2.gz FBAOMSQXJXDFPJ-UHFFFAOYSA-N 1 0 463.491 6.610 1 0 JKAFRO COc1ccc(-n2nc(-c3ccc(OCc4ccccc4)cc3)n[n+]2-c2cccc(Cl)c2)cc1 ZINC000029131274 563097170 /nfs/dbraw/zinc/09/71/70/563097170.db2.gz KURMNUHJFMINOS-UHFFFAOYSA-N 1 0 469.952 5.452 1 0 JKAFRO COc1ccc([C@H](c2cccs2)c2ccc(OC[C@H](O)C[NH2+]C3CCCCC3)cc2)cc1 ZINC000029131571 563097175 /nfs/dbraw/zinc/09/71/75/563097175.db2.gz VIBDOHKMWLBJEP-KCWPFWIISA-N 1 0 451.632 5.599 1 0 JKAFRO COc1ccc2cc(C(=O)N[C@H](C[N@@H+]3CC[C@@](C)(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cnc2c1 ZINC000029134148 563097749 /nfs/dbraw/zinc/09/77/49/563097749.db2.gz JKFGUTPGMOEOFH-FCIAUAKVSA-N 1 0 475.633 5.003 1 0 JKAFRO COc1cc2[nH+]ccc(Nc3ccc4c(cccc4C(=O)Nc4ccc(Cl)cc4)c3)c2cc1OC ZINC000029134628 563098020 /nfs/dbraw/zinc/09/80/20/563098020.db2.gz BMOOIPUTRDUUMJ-UHFFFAOYSA-N 1 0 483.955 7.055 1 0 JKAFRO COc1c(C)c(C[N@H+](CCNc2ccnc3cc(Cl)ccc32)C(C)C)c(OC)c2ccccc21 ZINC000029135361 563098091 /nfs/dbraw/zinc/09/80/91/563098091.db2.gz VUMHETGJSVJZAL-UHFFFAOYSA-N 1 0 478.036 6.690 1 0 JKAFRO COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(C[NH+](C)C)cc4)cc3)o2)n1 ZINC000029136084 563098099 /nfs/dbraw/zinc/09/80/99/563098099.db2.gz OQZTUXXMTHYBAE-UHFFFAOYSA-N 1 0 469.541 5.067 1 0 JKAFRO CC[NH+](CC)CCC[C@H](C)Nc1nc2ccccc2c(Nc2cc(OC)c(OC)c(OC)c2)n1 ZINC000029204176 563098289 /nfs/dbraw/zinc/09/82/89/563098289.db2.gz KUNBMVJOLFUGGV-SFHVURJKSA-N 1 0 467.614 5.322 1 0 JKAFRO C[N@@H+]1CCC[C@H]1CCNc1nc(Nc2cc(Cl)cc(Cl)c2)nc2ccc(Cl)cc21 ZINC000029205418 563098356 /nfs/dbraw/zinc/09/83/56/563098356.db2.gz AAGMYQOBOJWJTB-KRWDZBQOSA-N 1 0 450.801 6.230 1 0 JKAFRO O=C(OCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1cccnc1 ZINC000029208001 563098419 /nfs/dbraw/zinc/09/84/19/563098419.db2.gz GTSLCYHNKKYWIT-WDYNHAJCSA-N 1 0 482.580 5.133 1 0 JKAFRO O=C(NCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1 ZINC000029209154 563098534 /nfs/dbraw/zinc/09/85/34/563098534.db2.gz LUCLZGSSCVDAGU-IHLOFXLRSA-N 1 0 480.608 5.311 1 0 JKAFRO C[C@@](C[NH2+]CCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000029239252 563099343 /nfs/dbraw/zinc/09/93/43/563099343.db2.gz JZUOVJILJZOLCD-AYUHWZOVSA-N 1 0 485.672 5.852 1 0 JKAFRO O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CC[NH2+]C[C@H]3c3ccccn3)cc12 ZINC000029322308 563100253 /nfs/dbraw/zinc/10/02/53/563100253.db2.gz FOTDOIGKSDTJRO-MHZLTWQESA-N 1 0 483.612 5.441 1 0 JKAFRO CC(C)(C)[NH2+]C[C@H](O)c1cc2cccc(CC(=O)OCCC34CC5CC(CC(C5)C3)C4)c2o1 ZINC000029324234 563100315 /nfs/dbraw/zinc/10/03/15/563100315.db2.gz LKEVFSHFIYRLSK-KIWKPZNUSA-N 1 0 453.623 5.547 1 0 JKAFRO COCc1ccnc2c(N[C@@H](C)CCC[NH3+])cc(OC)c(Oc3cccc(C(F)(F)F)c3)c12 ZINC000029346236 563101329 /nfs/dbraw/zinc/10/13/29/563101329.db2.gz ZSAQXHPYNLJELY-HNNXBMFYSA-N 1 0 463.500 5.740 1 0 JKAFRO Clc1ccc2c(c1)nccc2NCCC[NH2+]CCCNc1ccnc2cc(Cl)ccc21 ZINC000029394236 563101946 /nfs/dbraw/zinc/10/19/46/563101946.db2.gz HROACHSLAKGFBN-UHFFFAOYSA-N 1 0 454.405 5.984 1 0 JKAFRO Clc1ccc2c(c1)nccc2N1CC[NH2+]CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000029401703 563102616 /nfs/dbraw/zinc/10/26/16/563102616.db2.gz OUOLBGQZIPWNBE-UHFFFAOYSA-N 1 0 452.389 5.006 1 0 JKAFRO Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(C)C)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000029417210 563103809 /nfs/dbraw/zinc/10/38/09/563103809.db2.gz HYLLXTXUEAYLQO-UHFFFAOYSA-N 1 0 483.656 6.014 1 0 JKAFRO Cc1cccc(-c2c(=O)[nH]c3cc(Cl)c(NC(=O)NC4CC4)cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000029462199 563103856 /nfs/dbraw/zinc/10/38/56/563103856.db2.gz MNHPUMYSSDXMMN-GOSISDBHSA-N 1 0 495.023 5.764 1 0 JKAFRO COc1cc(C)c2c(n1)c(N[C@H](C)CCC[NH3+])cc(OC)c2OCc1cccc(C(F)(F)F)c1 ZINC000029468101 563104391 /nfs/dbraw/zinc/10/43/91/563104391.db2.gz IFAWQHMVNWFHCO-MRXNPFEDSA-N 1 0 477.527 5.698 1 0 JKAFRO COc1cc(N)c(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000029473217 563104740 /nfs/dbraw/zinc/10/47/40/563104740.db2.gz XLAIOBJEIUDSNM-UHFFFAOYSA-N 1 0 480.008 5.361 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029475223 563104845 /nfs/dbraw/zinc/10/48/45/563104845.db2.gz GMMDSONYFXQIOU-CSKARUKUSA-N 1 0 470.444 6.264 1 0 JKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2csc(-c3cc(OC)cc(OC)c3)n2)cc1 ZINC000029477340 563105010 /nfs/dbraw/zinc/10/50/10/563105010.db2.gz GTSSXNAKJNCRPF-UHFFFAOYSA-N 1 0 482.690 7.165 1 0 JKAFRO O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029480738 563105245 /nfs/dbraw/zinc/10/52/45/563105245.db2.gz UQJVYIKVRHGDEB-OBGWFSINSA-N 1 0 491.679 7.014 1 0 JKAFRO O=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000029480353 563105258 /nfs/dbraw/zinc/10/52/58/563105258.db2.gz ARMKFSFVQYRQSN-UHFFFAOYSA-N 1 0 473.448 6.646 1 0 JKAFRO O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029480963 563105352 /nfs/dbraw/zinc/10/53/52/563105352.db2.gz VEYKHKTUXRWQGS-VAWYXSNFSA-N 1 0 483.578 6.366 1 0 JKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000029483352 563105438 /nfs/dbraw/zinc/10/54/38/563105438.db2.gz CHPBPAYRBKNDQA-SANMLTNESA-N 1 0 457.662 6.971 1 0 JKAFRO COc1ccc(C[NH2+][C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)Cc2ccccc2)cc1 ZINC000029488699 563105752 /nfs/dbraw/zinc/10/57/52/563105752.db2.gz XUBAXMPEYOGPIH-RUZDIDTESA-N 1 0 473.661 6.465 1 0 JKAFRO O=C(CCC[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000029554491 563106585 /nfs/dbraw/zinc/10/65/85/563106585.db2.gz VUIYAEMBKPDJIU-UHFFFAOYSA-N 1 0 470.592 5.763 1 0 JKAFRO CC[C@H](O)C1CC[NH+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029556677 563106679 /nfs/dbraw/zinc/10/66/79/563106679.db2.gz KRMCSHVGYGBUFB-RDGATRHJSA-N 1 0 477.476 5.722 1 0 JKAFRO [NH3+][C@H](COCc1cc(Br)cc(Br)c1)C(c1ccccc1)c1ccccc1 ZINC000029555695 563106680 /nfs/dbraw/zinc/10/66/80/563106680.db2.gz PKOMOAICWKDSFD-OAQYLSRUSA-N 1 0 475.224 5.888 1 0 JKAFRO COc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1OC ZINC000029558074 563106842 /nfs/dbraw/zinc/10/68/42/563106842.db2.gz WJBNFOHHROQQJC-UHFFFAOYSA-N 1 0 470.617 5.221 1 0 JKAFRO CN(C[C@H](CC[NH+]1CCC(CCO)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000029560311 563106958 /nfs/dbraw/zinc/10/69/58/563106958.db2.gz RIPLBEGVRWQMCK-QFIPXVFZSA-N 1 0 463.449 5.334 1 0 JKAFRO CN(c1nc2ccccc2n1Cc1ccccc1Cl)C1CC[NH+](CCc2ccccc2)CC1 ZINC000029562379 563107141 /nfs/dbraw/zinc/10/71/41/563107141.db2.gz WSNVHHBUJUVNFB-UHFFFAOYSA-N 1 0 459.037 5.881 1 0 JKAFRO CCCN(c1nc2ccccc2n1Cc1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000029563740 563107173 /nfs/dbraw/zinc/10/71/73/563107173.db2.gz PTHBLNRGAPRTKU-UHFFFAOYSA-N 1 0 452.646 6.008 1 0 JKAFRO Brc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029566712 563107476 /nfs/dbraw/zinc/10/74/76/563107476.db2.gz WCOBFGJLRUNGSJ-UHFFFAOYSA-N 1 0 489.461 5.966 1 0 JKAFRO COc1cc(NC[C@H](C)SCC[NH3+])c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000029571839 563107838 /nfs/dbraw/zinc/10/78/38/563107838.db2.gz WNXGHHIWNSYKLL-HNNXBMFYSA-N 1 0 465.541 5.855 1 0 JKAFRO CC(=O)O[C@H]1[C@H](n2ccnc2)C[C@H]2[C@@H]3CC=C4C[C@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000031872206 563108842 /nfs/dbraw/zinc/10/88/42/563108842.db2.gz KZPNCXIHDYJAKC-JSUBHTINSA-N 1 0 451.655 5.393 1 0 JKAFRO CC[N@H+]1C/C(=C\c2ccc(Cl)cc2)C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C1 ZINC000031904850 563108980 /nfs/dbraw/zinc/10/89/80/563108980.db2.gz FZTNUZOREMAQPD-FJIYFEHPSA-N 1 0 462.424 6.946 1 0 JKAFRO CCCC[NH2+]C[C@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)c2)c1 ZINC000032025563 563109295 /nfs/dbraw/zinc/10/92/95/563109295.db2.gz SKPFBHQTNBMROY-QHCPKHFHSA-N 1 0 482.468 6.876 1 0 JKAFRO O[C@@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000032286482 563109689 /nfs/dbraw/zinc/10/96/89/563109689.db2.gz LQJUOTCZQXZOPN-DXMJYPBGSA-N 1 0 493.478 7.314 1 0 JKAFRO COc1ccc2c(c1)OC(C)(C)C(c1ccc(Cl)cc1)=C2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000033827358 563110970 /nfs/dbraw/zinc/11/09/70/563110970.db2.gz SWIVUOPIPYDSKP-UHFFFAOYSA-N 1 0 490.043 6.953 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+](C(C)C)C(C)C)cc2)c1-c1ccc(O)cc1 ZINC000033972625 563111385 /nfs/dbraw/zinc/11/13/85/563111385.db2.gz JJGBHIULHLZNIW-UHFFFAOYSA-N 1 0 472.629 6.574 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1cccc(O)c1 ZINC000033999590 563111620 /nfs/dbraw/zinc/11/16/20/563111620.db2.gz GRNXCSPNKRKBIG-UHFFFAOYSA-N 1 0 456.586 5.941 1 0 JKAFRO CCc1nc2c(nc(C)cc2C)n1Cc1ccc2c(c1)CCc1cc(C[NH+]3CCCC3)ccc1N2 ZINC000034014024 563111664 /nfs/dbraw/zinc/11/16/64/563111664.db2.gz VVQPSLPIXXBFHY-UHFFFAOYSA-N 1 0 465.645 6.097 1 0 JKAFRO CC(C)(C)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000034289869 563112882 /nfs/dbraw/zinc/11/28/82/563112882.db2.gz KELLXLMFMKOEDM-UHFFFAOYSA-N 1 0 493.638 6.679 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@](O)(c2ccccc2)c2ccc(F)cc2)CC1 ZINC000034289891 563113066 /nfs/dbraw/zinc/11/30/66/563113066.db2.gz SXNQUTWAVUUOFI-PMERELPUSA-N 1 0 491.603 5.454 1 0 JKAFRO OCc1cc([C@@H](O)C[NH2+]CCc2ccc(Nc3cccc(-c4ccccc4)c3)cc2)ccc1O ZINC000034324460 563113123 /nfs/dbraw/zinc/11/31/23/563113123.db2.gz PKTWFFHSTPILMD-LJAQVGFWSA-N 1 0 454.570 5.161 1 0 JKAFRO CC(C)n1cnc2c1nc(NCC1CC[NH2+]CC1)nc2NCc1ccc(-c2ccccc2)cc1 ZINC000034356256 563113217 /nfs/dbraw/zinc/11/32/17/563113217.db2.gz WUIBEULHHMOZIY-UHFFFAOYSA-N 1 0 455.610 5.098 1 0 JKAFRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(OCc2ccccc2)ccc(OCc2ccccc2)c1OC ZINC000034343082 563113243 /nfs/dbraw/zinc/11/32/43/563113243.db2.gz UCSPRWCFKNGDEC-XMMPIXPASA-N 1 0 474.601 5.067 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc(F)cc1 ZINC000034356575 563113262 /nfs/dbraw/zinc/11/32/62/563113262.db2.gz SAGDOTDHTDEEJO-UHFFFAOYSA-N 1 0 458.577 6.374 1 0 JKAFRO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[NH+](C)C)ccn32)n1)c1ccccc1 ZINC000034357217 563113291 /nfs/dbraw/zinc/11/32/91/563113291.db2.gz VPZSMAJTUGVZFW-IBGZPJMESA-N 1 0 466.564 5.832 1 0 JKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[N@H+]3[C@H](C)CCC[C@@H]3C)cc2)c1-c1ccc(O)cc1 ZINC000034358531 563113297 /nfs/dbraw/zinc/11/32/97/563113297.db2.gz WANIEUSUVJHWKZ-SZPZYZBQSA-N 1 0 484.640 6.718 1 0 JKAFRO Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(N4C[C@@H](C)O[C@@H](C)C4)c3)CC2)n1 ZINC000034377308 563113428 /nfs/dbraw/zinc/11/34/28/563113428.db2.gz XPWKGSMQZILPKZ-PSWAGMNNSA-N 1 0 473.661 5.490 1 0 JKAFRO CC(C)n1cnc2c1nc(N[C@@H]1CCCC[C@H]1[NH3+])nc2NCc1ccc(-c2ccccc2)cc1 ZINC000034393897 563113521 /nfs/dbraw/zinc/11/35/21/563113521.db2.gz RADYJKOHWIIBNB-DHIUTWEWSA-N 1 0 455.610 5.368 1 0 JKAFRO COc1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1 ZINC000034379665 563113592 /nfs/dbraw/zinc/11/35/92/563113592.db2.gz PZCSJBQJENRLHD-LJAQVGFWSA-N 1 0 497.595 5.245 1 0 JKAFRO Cc1ccc(/C=C2\CSC[C@H]3C2=NN(CCC[NH+]2CCN(C)CC2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000034588900 563113983 /nfs/dbraw/zinc/11/39/83/563113983.db2.gz YWGAQRBVSIMYTD-PYVZUZAWSA-N 1 0 474.718 5.100 1 0 JKAFRO CC(C)(C)c1ccc(-c2nc3c(cccc3N3CC[NH+](Cc4ccc5ncccc5c4)CC3)[nH]2)cc1 ZINC000034637603 563114231 /nfs/dbraw/zinc/11/42/31/563114231.db2.gz IEJOVNUMBFLFRJ-UHFFFAOYSA-N 1 0 475.640 6.398 1 0 JKAFRO FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CC[C@H]([NH+]3CCCCC3)C2)cc(C(F)(F)F)c1 ZINC000034662992 563114535 /nfs/dbraw/zinc/11/45/35/563114535.db2.gz SVNARMJNQZDVGN-ZEQRLZLVSA-N 1 0 485.512 7.217 1 0 JKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)c(C)cc21 ZINC000034774052 563114979 /nfs/dbraw/zinc/11/49/79/563114979.db2.gz PYSBTWHUBFKBBK-AREMUKBSSA-N 1 0 459.461 7.453 1 0 JKAFRO COc1cc(-c2ccc3[nH]c(=O)c(-c4cc5cc(C[NH+]6CCCCC6)ccc5[nH]4)cc3c2)ccc1O ZINC000034804263 563116386 /nfs/dbraw/zinc/11/63/86/563116386.db2.gz QSCYNBDSVWIZMP-UHFFFAOYSA-N 1 0 479.580 6.044 1 0 JKAFRO COc1cc(C(=O)N(CCC[N@@H+]2CCCC[C@@H]2C)C/C(C)=C/c2ccccc2)cc(OC)c1OC ZINC000034947401 563117695 /nfs/dbraw/zinc/11/76/95/563117695.db2.gz PCGHBTIIIVGRFY-OILDRBDJSA-N 1 0 480.649 5.523 1 0 JKAFRO COc1ccc2c(c[n+]3c(c2Cc2ccc(C(F)(F)F)cc2)-c2cc4c(cc2CC3)OCO4)c1OC ZINC000035014875 563118271 /nfs/dbraw/zinc/11/82/71/563118271.db2.gz GSGNDWUBKITAPZ-UHFFFAOYSA-N 1 0 494.489 5.706 1 0 JKAFRO C[C@H]1C[N@@H+]2CCN(Cc3cccc(OCc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075225 563118784 /nfs/dbraw/zinc/11/87/84/563118784.db2.gz XPFJOAHKMCTTBB-NTGKZJMKSA-N 1 0 456.630 5.455 1 0 JKAFRO Cc1c(-c2ccc3cc(CC[N@H+]4CCC[C@H]4C)ccc3n2)cnn1-c1cc(C(F)(F)F)cc(C)n1 ZINC000035802289 563120390 /nfs/dbraw/zinc/12/03/90/563120390.db2.gz SUZTVAUFNKMZOU-GOSISDBHSA-N 1 0 479.550 6.145 1 0 JKAFRO Cc1cccc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)Nc2cccc(F)c2)c1 ZINC000035872641 563120898 /nfs/dbraw/zinc/12/08/98/563120898.db2.gz DLYZTARPCXSNNB-UHFFFAOYSA-N 1 0 476.552 5.396 1 0 JKAFRO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000035873260 563120921 /nfs/dbraw/zinc/12/09/21/563120921.db2.gz RWSPYBHNSGQITH-MGBGTMOVSA-N 1 0 489.663 6.375 1 0 JKAFRO Cc1ccc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)Nc2cccc(F)c2)cc1C ZINC000035903646 563121173 /nfs/dbraw/zinc/12/11/73/563121173.db2.gz YZVSFYVDNCWGEI-UHFFFAOYSA-N 1 0 490.579 5.704 1 0 JKAFRO c1ccc(-c2c(-c3ccc(OCC[NH+]4CCCC4)cc3)[nH]c3ncnc(NC[C@@H]4CCCO4)c32)cc1 ZINC000035903319 563121234 /nfs/dbraw/zinc/12/12/34/563121234.db2.gz XXAHEYLYVXIYBY-DEOSSOPVSA-N 1 0 483.616 5.357 1 0 JKAFRO C[C@@H]1CCC[N@@H+]1CCc1ccc2nc(-c3csc(-c4cc(Cl)nc(Cl)c4)n3)ccc2c1 ZINC000035974316 563121645 /nfs/dbraw/zinc/12/16/45/563121645.db2.gz YWCCLBBMFRWYOU-OAHLLOKOSA-N 1 0 469.441 6.754 1 0 JKAFRO O=C(Nc1cccc2ccccc21)O[C@@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000035985099 563121696 /nfs/dbraw/zinc/12/16/96/563121696.db2.gz GWISHPBAFMUVHK-XZWHSSHBSA-N 1 0 462.593 6.683 1 0 JKAFRO OC[C@H]1CCC[N@H+](CCC[C@H]2CCCc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc32)C1 ZINC000036126806 563122551 /nfs/dbraw/zinc/12/25/51/563122551.db2.gz ISXKOYQKBFARFC-LEWJYISDSA-N 1 0 496.051 5.873 1 0 JKAFRO Cc1cccc(Nc2cc(C[N@@H+](Cc3ccccc3C(F)(F)F)CC3CCCCC3)nn2C)c1C ZINC000036159673 563122966 /nfs/dbraw/zinc/12/29/66/563122966.db2.gz TVKMIHZXEKOHEV-UHFFFAOYSA-N 1 0 484.610 7.382 1 0 JKAFRO CC[N@H+](CCO)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc([C@@H](C)c2ccccc2)n1 ZINC000036161125 563123028 /nfs/dbraw/zinc/12/30/28/563123028.db2.gz PCCWAATWIVPODZ-NRFANRHFSA-N 1 0 495.602 5.563 1 0 JKAFRO O=C(/C=C/c1ccccc1)NCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000036177561 563123404 /nfs/dbraw/zinc/12/34/04/563123404.db2.gz OOOXTGVDXLYZMW-FMIVXFBMSA-N 1 0 489.447 5.143 1 0 JKAFRO Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CCC2CCCCC2)CC[C@]314 ZINC000036215816 563124238 /nfs/dbraw/zinc/12/42/38/563124238.db2.gz ZCPJXWILZUQAFH-UDKDNODWSA-N 1 0 470.613 5.133 1 0 JKAFRO C[NH+](C)Cc1cnc2c(cccc2Cn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)c1 ZINC000036270588 563125150 /nfs/dbraw/zinc/12/51/50/563125150.db2.gz CBKMKLAHBXYTHL-UHFFFAOYSA-N 1 0 460.990 5.437 1 0 JKAFRO Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)CC2)c([C@@H]([NH3+])CC(C)C)c1 ZINC000036285749 563125233 /nfs/dbraw/zinc/12/52/33/563125233.db2.gz BBQDUYUJLYXEDO-DVECYGJZSA-N 1 0 476.492 5.875 1 0 JKAFRO COc1cccc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000036285708 563125242 /nfs/dbraw/zinc/12/52/42/563125242.db2.gz OTSUHPKAIYGTIX-CYFREDJKSA-N 1 0 491.598 5.287 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285520 563125317 /nfs/dbraw/zinc/12/53/17/563125317.db2.gz VIFYVTWZHBRVAT-QFIPXVFZSA-N 1 0 466.428 5.460 1 0 JKAFRO COc1cc(Cl)ccc1C[C@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000036285879 563125419 /nfs/dbraw/zinc/12/54/19/563125419.db2.gz XQRMVGKJRPGNEB-MBSDFSHPSA-N 1 0 492.491 5.575 1 0 JKAFRO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000036285918 563125423 /nfs/dbraw/zinc/12/54/23/563125423.db2.gz JIOABRUCZKTZQV-JPYJTQIMSA-N 1 0 496.017 5.932 1 0 JKAFRO C[NH+](C)[C@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(OC(F)(F)F)cc5)ccc4c3=O)cn2)C1 ZINC000036351533 563126847 /nfs/dbraw/zinc/12/68/47/563126847.db2.gz XYQYXLDNDZGLOY-FQEVSTJZSA-N 1 0 495.501 5.561 1 0 JKAFRO C[NH+](C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(Br)cc5)ccc4c3=O)cn2)C1 ZINC000036351618 563126952 /nfs/dbraw/zinc/12/69/52/563126952.db2.gz WVSHVBGLHZFHAA-OAQYLSRUSA-N 1 0 490.401 5.425 1 0 JKAFRO Cn1cc(-c2ccc(N3CC[C@H]([NH+](C)C)C3)nc2)c(=O)c2ccc(-c3ccc(Cl)cc3)cc21 ZINC000036351539 563127004 /nfs/dbraw/zinc/12/70/04/563127004.db2.gz HJIIGHOMSAWNSK-QFIPXVFZSA-N 1 0 458.993 5.061 1 0 JKAFRO CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(I)cc3)ccc2[nH+]1 ZINC000036351850 563127058 /nfs/dbraw/zinc/12/70/58/563127058.db2.gz BEHNOQZKDVPNIB-IZZDOVSWSA-N 1 0 457.315 5.026 1 0 JKAFRO Cc1ccc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2NC(=O)/C=C/c2ccccc2)cc1C ZINC000036351799 563127060 /nfs/dbraw/zinc/12/70/60/563127060.db2.gz NERZZHAUEVWREN-RVDMUPIBSA-N 1 0 483.612 5.573 1 0 JKAFRO COc1cc(OC)c([C@@H](CC[N@@H+]2CCC[C@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)cc(C)c12 ZINC000036388403 563129424 /nfs/dbraw/zinc/12/94/24/563129424.db2.gz FDCKOUVEAHEGNE-CVDCTZTESA-N 1 0 478.633 5.439 1 0 JKAFRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc21 ZINC000036476060 563130470 /nfs/dbraw/zinc/13/04/70/563130470.db2.gz ZZLJUUCFYIBWJN-PKKBDPGCSA-N 1 0 456.508 6.130 1 0 JKAFRO CCO[C@H]1C[N@H+](C)CCN1c1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1 ZINC000037858307 563130911 /nfs/dbraw/zinc/13/09/11/563130911.db2.gz JFNDFNQIAHFSSW-SANMLTNESA-N 1 0 482.632 5.475 1 0 JKAFRO O=C1NC[C@H](c2ccccc2)C12CC[NH+](C1(c3ccc(OC(F)(F)F)cc3)CCCCC1)CC2 ZINC000038147564 563131800 /nfs/dbraw/zinc/13/18/00/563131800.db2.gz XOBVYGFLFIMBKT-HSZRJFAPSA-N 1 0 472.551 5.740 1 0 JKAFRO O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@H](C[NH+]1CCCC1)O2 ZINC000038149716 563132196 /nfs/dbraw/zinc/13/21/96/563132196.db2.gz HYJDZUVIJDAGNE-LJQANCHMSA-N 1 0 479.005 5.036 1 0 JKAFRO COc1ccccc1NC(=S)N[C@@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000038255022 563133590 /nfs/dbraw/zinc/13/35/90/563133590.db2.gz PVIGSSNGUGUCED-SXOMAYOGSA-N 1 0 457.643 5.277 1 0 JKAFRO CC(=O)N1CCc2ccc(N(C(=O)[C@H]3C[C@@H]3c3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000038348534 563133960 /nfs/dbraw/zinc/13/39/60/563133960.db2.gz MJNIGBVBXCIUSS-IHLOFXLRSA-N 1 0 493.651 5.397 1 0 JKAFRO CC[N@H+](CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000038403452 563134378 /nfs/dbraw/zinc/13/43/78/563134378.db2.gz FPSWKOLYNPXXEK-UHFFFAOYSA-N 1 0 488.985 6.787 1 0 JKAFRO CCCc1cc(N2CCCCC2)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000038481041 563134859 /nfs/dbraw/zinc/13/48/59/563134859.db2.gz AMQCCJITDXPYII-NTEUORMPSA-N 1 0 467.535 6.848 1 0 JKAFRO COc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000038516295 563134950 /nfs/dbraw/zinc/13/49/50/563134950.db2.gz MEGWHNJGIHFDSO-WJOKGBTCSA-N 1 0 499.607 6.093 1 0 in-vivo JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000038516128 563134963 /nfs/dbraw/zinc/13/49/63/563134963.db2.gz BKYSDHKFCYGRPX-XVJMICLVSA-N 1 0 494.520 5.692 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC000038516131 563134968 /nfs/dbraw/zinc/13/49/68/563134968.db2.gz BKYSDHKFCYGRPX-KJLVNVKXSA-N 1 0 494.520 5.692 1 0 JKAFRO COc1cc(Br)c2cc3[n+](c(-c4ccccc4)c2c1OC)CCc1cc2c(cc1-3)OCO2 ZINC000039072354 563136155 /nfs/dbraw/zinc/13/61/55/563136155.db2.gz MPGSIGJAMBLPLR-UHFFFAOYSA-N 1 0 491.361 5.526 1 0 JKAFRO Oc1ccc2c3c1O[C@@H]1[C@H]4OC[C@@]4(CCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000040368718 563136995 /nfs/dbraw/zinc/13/69/95/563136995.db2.gz ODGILRURLOMZQR-JEMAVMGYSA-N 1 0 471.641 5.250 1 0 JKAFRO Oc1ccc2c3c1O[C@@H]1[C@H]4OC[C@@]4(CCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000040368720 563136998 /nfs/dbraw/zinc/13/69/98/563136998.db2.gz YNGNKWSEPZWGIT-XSWZWZAQSA-N 1 0 485.668 5.640 1 0 JKAFRO Oc1ccc2c3c1O[C@@H]1[C@H]4OC[C@@]4(CCCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000040368719 563137001 /nfs/dbraw/zinc/13/70/01/563137001.db2.gz YNGNKWSEPZWGIT-AUFFXGDCSA-N 1 0 485.668 5.640 1 0 JKAFRO C[C@@]1(CCc2ccccc2)C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CCC2)[C@H](O5)C1=O ZINC000040368734 563137039 /nfs/dbraw/zinc/13/70/39/563137039.db2.gz NLXNHMISEPLMNT-ANPQRQHMSA-N 1 0 457.614 5.050 1 0 JKAFRO Cc1c(-c2ccccc2)[nH]c(=O)n1C1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000040379103 563137103 /nfs/dbraw/zinc/13/71/03/563137103.db2.gz VIJNCDUDLOASFU-UHFFFAOYSA-N 1 0 480.534 5.798 1 0 JKAFRO Oc1ccc2c3c1O[C@@H]1[C@H]4OC[C@@]4(CCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000040368752 563137146 /nfs/dbraw/zinc/13/71/46/563137146.db2.gz ZEOAOVNXZDWIFZ-MUGBZZHYSA-N 1 0 471.641 5.250 1 0 JKAFRO CC(=O)Nc1ccc2c(c1)c1ccccc1n2CCCC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000040380334 563137583 /nfs/dbraw/zinc/13/75/83/563137583.db2.gz CLJBDYKQQFMLFJ-FMIVXFBMSA-N 1 0 480.656 5.864 1 0 JKAFRO CC(=O)N1CCC(c2cccc(CC3CC[NH+](CCOc4cccc5nc(C)ccc54)CC3)c2)CC1 ZINC000040391807 563137921 /nfs/dbraw/zinc/13/79/21/563137921.db2.gz VNCBQAWGECHWAH-UHFFFAOYSA-N 1 0 485.672 5.603 1 0 JKAFRO O=C(O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccccc1 ZINC000040393396 563138488 /nfs/dbraw/zinc/13/84/88/563138488.db2.gz BGVYVBJDHXIDAQ-PKKBEUKGSA-N 1 0 465.637 6.818 1 0 JKAFRO C[C@H](C[C@H](NC(=O)C1CCC1)c1ccccc1)[NH+]1CCC(c2n[nH]cc2-c2ccncc2)CC1 ZINC000040394108 563138610 /nfs/dbraw/zinc/13/86/10/563138610.db2.gz XFUXIQVTGGYUOZ-IBVKSMDESA-N 1 0 457.622 5.087 1 0 JKAFRO COc1ccc2c(c1)[C@@H](c1ccccc1NCCOc1ccccc1)[N@@H+](CCOc1ccccc1)CC2 ZINC000040395320 563139083 /nfs/dbraw/zinc/13/90/83/563139083.db2.gz IBKUJZUCCQVILG-JGCGQSQUSA-N 1 0 494.635 6.213 1 0 JKAFRO [NH3+]C[C@H](CC1CCCCC1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1 ZINC000040401942 563139542 /nfs/dbraw/zinc/13/95/42/563139542.db2.gz GHUNSPMEIRXTBW-AWEZNQCLSA-N 1 0 461.429 5.081 1 0 JKAFRO CCCC[NH2+]CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O ZINC000040404312 563139907 /nfs/dbraw/zinc/13/99/07/563139907.db2.gz ZBVIRJRRQRKZEM-UHFFFAOYSA-N 1 0 489.491 5.024 1 0 JKAFRO O=C(NC1CCC1)c1ccc(F)c2c1C[C@@H]([N@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040412222 563140983 /nfs/dbraw/zinc/14/09/83/563140983.db2.gz OXCODUCJRWQMNC-JOCHJYFZSA-N 1 0 493.598 5.519 1 0 in-vitro JKAFRO NC(=[NH2+])c1ccc2[nH]c(-c3ccc4[nH]c(-c5cc(F)ccc5Oc5ccc(Cl)cc5)nc4c3)nc2c1 ZINC000040422017 563141780 /nfs/dbraw/zinc/14/17/80/563141780.db2.gz HRHNSDAAODYVBQ-UHFFFAOYSA-N 1 0 496.933 6.642 1 0 JKAFRO CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCC[NH+]1CCCC1 ZINC000040422822 563141963 /nfs/dbraw/zinc/14/19/63/563141963.db2.gz GDFGAZNVFAOQJA-QFIPXVFZSA-N 1 0 482.637 6.261 1 0 JKAFRO C[C@@H]1C[C@H](C)C[N@@H+](CCCOc2ccc(-n3c4ccc(F)cc4nc3-c3ccccn3)cc2)C1 ZINC000040429532 563143333 /nfs/dbraw/zinc/14/33/33/563143333.db2.gz INZNENROAMTTFF-OYRHEFFESA-N 1 0 458.581 5.973 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000040429835 563143433 /nfs/dbraw/zinc/14/34/33/563143433.db2.gz AWFVUZFXTNVVQX-JIZZLUJTSA-N 1 0 494.520 5.550 1 0 JKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH2+]CC56CC7CC(CC(C7)C5)C6)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000040430179 563143565 /nfs/dbraw/zinc/14/35/65/563143565.db2.gz RTPMJJIBCRMNCN-LGPFXDODSA-N 1 0 455.727 5.535 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000040430592 563143660 /nfs/dbraw/zinc/14/36/60/563143660.db2.gz YGPLIKOLDGNPAM-SJBKTWHCSA-N 1 0 494.520 5.694 1 0 JKAFRO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2c1CC[N@H+](Cc1ccnc3ccccc13)C2 ZINC000040431077 563143744 /nfs/dbraw/zinc/14/37/44/563143744.db2.gz ODHCHTTWWBSKNC-UHFFFAOYSA-N 1 0 461.487 6.064 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC([C@](O)(c2ccccc2)C2CCCCC2)CC1 ZINC000040503857 563144720 /nfs/dbraw/zinc/14/47/20/563144720.db2.gz QQTPFWHWKHMTSV-PMERELPUSA-N 1 0 479.661 5.847 1 0 JKAFRO CC(=O)c1cccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000040504834 563144820 /nfs/dbraw/zinc/14/48/20/563144820.db2.gz ADFDHMQOTOSLAU-UHFFFAOYSA-N 1 0 479.567 5.584 1 0 JKAFRO OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC[NH+](CCC[C@@H]2OCO[C@H]2c2ccccc2)CC1 ZINC000040505192 563144884 /nfs/dbraw/zinc/14/48/84/563144884.db2.gz PBAKHPZJMXMAMK-VMPREFPWSA-N 1 0 493.594 5.807 1 0 JKAFRO OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC[NH+](CCC[C@H]2OCO[C@H]2c2ccccc2)CC1 ZINC000040505201 563144886 /nfs/dbraw/zinc/14/48/86/563144886.db2.gz PBAKHPZJMXMAMK-WDYNHAJCSA-N 1 0 493.594 5.807 1 0 JKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C(OC)(c2ccccc2)c2ccccc2)CC1 ZINC000040505334 563144890 /nfs/dbraw/zinc/14/48/90/563144890.db2.gz SBZRHFJUNFKWPT-UHFFFAOYSA-N 1 0 487.640 5.969 1 0 JKAFRO CN(CCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040505630 563144894 /nfs/dbraw/zinc/14/48/94/563144894.db2.gz PAHNNYRPOLHPPG-UHFFFAOYSA-N 1 0 450.573 5.439 1 0 JKAFRO OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC[NH+](CCC[C@H]2OCO[C@@H]2c2ccccc2)CC1 ZINC000040505197 563144897 /nfs/dbraw/zinc/14/48/97/563144897.db2.gz PBAKHPZJMXMAMK-FQLXRVMXSA-N 1 0 493.594 5.807 1 0 JKAFRO COc1ccc(N2CC[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040567506 563146087 /nfs/dbraw/zinc/14/60/87/563146087.db2.gz OYIQCZLWRTXCFS-VWLOTQADSA-N 1 0 477.432 5.561 1 0 JKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2ncc(C)cc2c1Oc1ccc(F)c(C(F)(F)F)c1 ZINC000040617109 563146982 /nfs/dbraw/zinc/14/69/82/563146982.db2.gz ANIPWTYRYGNONQ-CQSZACIVSA-N 1 0 451.464 6.041 1 0 JKAFRO C[NH+](C)C[C@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccc(Cl)cc1)=NC2)c1ccccc1 ZINC000040631820 563147053 /nfs/dbraw/zinc/14/70/53/563147053.db2.gz GWYDEOABFYTUNS-QFIPXVFZSA-N 1 0 476.411 5.619 1 0 JKAFRO CCOc1ccccc1OCCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040640936 563147279 /nfs/dbraw/zinc/14/72/79/563147279.db2.gz DZSMSDRMGXOFCD-UHFFFAOYSA-N 1 0 481.583 5.781 1 0 JKAFRO CC(C)Oc1ccccc1OCCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040640848 563147322 /nfs/dbraw/zinc/14/73/22/563147322.db2.gz GXHBETZOPIJVJL-UHFFFAOYSA-N 1 0 495.610 6.169 1 0 JKAFRO COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCC(C)(C)CC1 ZINC000040763337 563147964 /nfs/dbraw/zinc/14/79/64/563147964.db2.gz PSFCSJFDOABCBI-UHFFFAOYSA-N 1 0 489.443 5.933 1 0 JKAFRO CC(=O)Nc1ccc(N2CC[C@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040764300 563148234 /nfs/dbraw/zinc/14/82/34/563148234.db2.gz DNTAGIKAURJNKZ-HXUWFJFHSA-N 1 0 490.431 5.337 1 0 JKAFRO CC(C)(C)c1ccc([C@]2(O)CCCC[C@@H]2[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccc(F)cc2)cc1 ZINC000040764472 563148366 /nfs/dbraw/zinc/14/83/66/563148366.db2.gz BHYYIAOYGRTUCO-BRWNIOCJSA-N 1 0 478.652 5.249 1 0 JKAFRO O=C(CN1CCCCC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040776052 563148524 /nfs/dbraw/zinc/14/85/24/563148524.db2.gz KAQFUUDXCRYXOL-GJTYJFQVSA-N 1 0 486.700 5.990 1 0 JKAFRO COc1cc2c(cc1OCc1ccccc1)[C@H](Cc1ccc(OCc3ccccc3)cc1)[N@H+](C)CC2 ZINC000040835225 563148946 /nfs/dbraw/zinc/14/89/46/563148946.db2.gz HZBGXMAYXSMTBE-PMERELPUSA-N 1 0 479.620 6.625 1 0 JKAFRO O=C([C@@H]1C[C@H](N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)C[NH2+]1)N1Cc2ccccc2C1 ZINC000040845554 563149208 /nfs/dbraw/zinc/14/92/08/563149208.db2.gz YNJYHRIVWFNGOF-ACHIHNKUSA-N 1 0 483.615 6.404 1 0 JKAFRO C[NH+](C)CCCOc1ccc2c(=O)cc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)oc2c1 ZINC000040846180 563149295 /nfs/dbraw/zinc/14/92/95/563149295.db2.gz WLQPTJAUOBNGLK-UHFFFAOYSA-N 1 0 451.607 6.091 1 0 JKAFRO CNc1nccc(-c2cccnc2Oc2ccc(Nc3[nH]c4c(cccc4C)[nH+]3)c3ccccc23)n1 ZINC000040848285 563149609 /nfs/dbraw/zinc/14/96/09/563149609.db2.gz NMQGVPMNRSWCJZ-UHFFFAOYSA-N 1 0 473.540 6.454 1 0 JKAFRO COc1cc2nc(C3CC[NH+](C4CCCCC4)CC3)nc(NC3CCCCCC3)c2cc1OC ZINC000040848713 563149715 /nfs/dbraw/zinc/14/97/15/563149715.db2.gz VNWQKNOMXMZJHO-UHFFFAOYSA-N 1 0 466.670 6.294 1 0 JKAFRO C[NH+](C)CCCn1c2ccc(O)cc2c2c1cc(-c1c(Cl)cccc1Cl)c1c2C(=O)NC1=O ZINC000040860518 563149920 /nfs/dbraw/zinc/14/99/20/563149920.db2.gz AXNSXRSJHQNIGS-UHFFFAOYSA-N 1 0 482.367 5.309 1 0 JKAFRO CCN(C(=O)c1ccc(Cl)cc1)C1CC[NH+]([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040863481 563150549 /nfs/dbraw/zinc/15/05/49/563150549.db2.gz LDNUDNVKCRWGIH-ZBLYBZFDSA-N 1 0 496.095 5.703 1 0 JKAFRO CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000040874640 563152048 /nfs/dbraw/zinc/15/20/48/563152048.db2.gz IAFZXRBYEMJVFW-ZHRRBRCNSA-N 1 0 466.428 5.316 1 0 JKAFRO COC(=O)NC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040875234 563152225 /nfs/dbraw/zinc/15/22/25/563152225.db2.gz JIJLWHJNZOIXHR-QOEARLRASA-N 1 0 495.450 6.961 1 0 JKAFRO COc1ccc(CC2(O)C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](c2ccccc2Cl)c2ccc(C)cc2Cl)nc1 ZINC000040878547 563152701 /nfs/dbraw/zinc/15/27/01/563152701.db2.gz FCAIKVZTCKWJCO-PDRSKMGGSA-N 1 0 497.466 6.395 1 0 JKAFRO NC(=O)C1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040891508 563153021 /nfs/dbraw/zinc/15/30/21/563153021.db2.gz QWSHRMLHRIRDFK-NNJHRLFQSA-N 1 0 499.869 6.786 1 0 JKAFRO CC[NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1 ZINC000040892373 563153372 /nfs/dbraw/zinc/15/33/72/563153372.db2.gz YGTDSYGYZFQKOY-INIZCTEOSA-N 1 0 483.435 5.005 1 0 JKAFRO CN(C)C(=[NH2+])c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)s2)cc1 ZINC000040893375 563153531 /nfs/dbraw/zinc/15/35/31/563153531.db2.gz KFYNEZNDLPCDMB-UHFFFAOYSA-N 1 0 461.374 5.446 1 0 JKAFRO CCOC(=O)C1CC[NH+]([C@H](c2ccccc2)c2cc3cc(Br)ccc3nc2OC)CC1 ZINC000040894844 563153701 /nfs/dbraw/zinc/15/37/01/563153701.db2.gz DURBQXQTMNMQGT-HSZRJFAPSA-N 1 0 483.406 5.370 1 0 JKAFRO O=C(Nc1ccc2c(c1)C[C@H]([NH2+]Cc1ccccn1)C2)c1ccccc1-c1ccc(Cl)cc1 ZINC000040898421 563154269 /nfs/dbraw/zinc/15/42/69/563154269.db2.gz BWKLXPHCBYUBIF-RUZDIDTESA-N 1 0 453.973 5.911 1 0 JKAFRO O=C1N(CC2CCC2)CN(c2ccccc2)C12CC[NH+](C(c1ccccc1)c1ccccc1)CC2 ZINC000040914853 563155368 /nfs/dbraw/zinc/15/53/68/563155368.db2.gz PBWMYCSTSQYNFL-UHFFFAOYSA-N 1 0 465.641 5.717 1 0 JKAFRO [NH2+]=C(c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1 ZINC000040915095 563155388 /nfs/dbraw/zinc/15/53/88/563155388.db2.gz KGUDOEAVFUTLFC-UHFFFAOYSA-N 1 0 496.398 5.704 1 0 JKAFRO CCc1c2ccc(OC)c(OCc3ccccc3C)c2c[n+]2c1-c1cc(OC)c(OC)cc1CC2 ZINC000040916234 563155640 /nfs/dbraw/zinc/15/56/40/563155640.db2.gz UREKLMFYNMFOOQ-UHFFFAOYSA-N 1 0 470.589 5.826 1 0 JKAFRO CCC[N@@H+]1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4ccccc4C(N)=O)n3)cc2)C1 ZINC000040916934 563155670 /nfs/dbraw/zinc/15/56/70/563155670.db2.gz USFRNJSCBVCBFY-UHFFFAOYSA-N 1 0 467.577 5.043 1 0 JKAFRO COc1ccc(C)cc1NC(=O)OC1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccc(N(C)C)cc1 ZINC000040933694 563156923 /nfs/dbraw/zinc/15/69/23/563156923.db2.gz ZDGABIFDITWCRH-VSGJHWFKSA-N 1 0 451.611 5.246 1 0 JKAFRO Cc1cc(NC(=O)c2cccc(C[NH+](C)C)c2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040933762 563156942 /nfs/dbraw/zinc/15/69/42/563156942.db2.gz DXLPFBMLVQJLKW-UHFFFAOYSA-N 1 0 455.002 5.242 1 0 JKAFRO Cc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(CCC[NH+]2CCCCC2)cc1 ZINC000040934007 563157144 /nfs/dbraw/zinc/15/71/44/563157144.db2.gz XXRGLZUCVWZDBP-UHFFFAOYSA-N 1 0 467.613 6.344 1 0 JKAFRO C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000040936218 563157948 /nfs/dbraw/zinc/15/79/48/563157948.db2.gz YGTZEUKLDBWBIS-PSWAGMNNSA-N 1 0 499.674 5.770 1 0 JKAFRO COc1cccc(-c2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)NC3=O)c1 ZINC000040938284 563158409 /nfs/dbraw/zinc/15/84/09/563158409.db2.gz SSIGALOOWMAALO-IMRQLAEWSA-N 1 0 467.569 5.071 1 0 JKAFRO CC[NH+](CC)CCSC(=S)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000040949818 563159208 /nfs/dbraw/zinc/15/92/08/563159208.db2.gz IDGNTLHDBDPXFG-QFIPXVFZSA-N 1 0 484.653 6.507 1 0 JKAFRO CC[NH+](CC)CCSC(=S)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000040949820 563159226 /nfs/dbraw/zinc/15/92/26/563159226.db2.gz IDGNTLHDBDPXFG-JOCHJYFZSA-N 1 0 484.653 6.507 1 0 JKAFRO CCc1nc(C)c(C[NH+]2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)s1 ZINC000040952618 563159908 /nfs/dbraw/zinc/15/99/08/563159908.db2.gz IUORVMGQLLUQHC-UHFFFAOYSA-N 1 0 473.690 6.177 1 0 JKAFRO Cc1cc(NC(=O)c2ccc([C@@H](C)[NH+]3CCCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040953243 563160151 /nfs/dbraw/zinc/16/01/51/563160151.db2.gz YPMGNQUWQMDXHN-OAQYLSRUSA-N 1 0 495.067 6.337 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+]C2CCCC2)C1 ZINC000040956012 563160841 /nfs/dbraw/zinc/16/08/41/563160841.db2.gz LNEPKEKPCNDFBQ-CTNGQTDRSA-N 1 0 464.494 6.068 1 0 JKAFRO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000040956009 563160876 /nfs/dbraw/zinc/16/08/76/563160876.db2.gz FWOAOVBHYIZBNZ-IRLDBZIGSA-N 1 0 494.520 5.552 1 0 JKAFRO Cc1cc(NC(=O)c2ccc([C@H]3CCC[NH2+]3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040972585 563161251 /nfs/dbraw/zinc/16/12/51/563161251.db2.gz BLDYLZYPGHVSPG-HSZRJFAPSA-N 1 0 467.013 5.605 1 0 JKAFRO CCCN1C(=O)CC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1=O ZINC000040974616 563161782 /nfs/dbraw/zinc/16/17/82/563161782.db2.gz WPTDYRIQRNGYLI-AREMUKBSSA-N 1 0 483.450 5.158 1 0 JKAFRO CC(C)(C)CC[NH+]1CCC(c2ccn3c(c2)nc(-c2ccc(F)cc2)c3-c2ccnc(N)n2)CC1 ZINC000040975375 563161832 /nfs/dbraw/zinc/16/18/32/563161832.db2.gz RTEOZPBJDCKYIE-UHFFFAOYSA-N 1 0 472.612 5.795 1 0 JKAFRO COc1cccc(/C=C/CN2CC[NH+](CCCCn3c4ccccc4c4ccccc43)CC2)c1 ZINC000040975953 563162046 /nfs/dbraw/zinc/16/20/46/563162046.db2.gz MDPXMFPBVBPNDQ-PKNBQFBNSA-N 1 0 453.630 5.914 1 0 JKAFRO C[C@@H](NC(=O)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1 ZINC000042965953 563163845 /nfs/dbraw/zinc/16/38/45/563163845.db2.gz FILSLSBYZHHHLD-OAQYLSRUSA-N 1 0 456.586 5.361 1 0 JKAFRO O[C@@H](COc1ccc(C(F)(F)F)cc1)C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000043015793 563164494 /nfs/dbraw/zinc/16/44/94/563164494.db2.gz ITPKSFPOKCAQLA-MRXNPFEDSA-N 1 0 497.863 5.101 1 0 JKAFRO COc1ccccc1[C@@H](C)NC(=O)c1ccc(CC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000043060614 563165729 /nfs/dbraw/zinc/16/57/29/563165729.db2.gz GQWJWDKAHSMNGK-OAQYLSRUSA-N 1 0 486.612 5.370 1 0 JKAFRO [O-][n+]1ccc2c(-c3ccc(F)cc3F)cc(C3CC[NH2+]CC3)nc2c1-c1c(Cl)cccc1Cl ZINC000043193740 563168217 /nfs/dbraw/zinc/16/82/17/563168217.db2.gz WLMGLORLNFEUDG-UHFFFAOYSA-N 1 0 486.349 6.254 1 0 in-vitro JKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000045166938 563172842 /nfs/dbraw/zinc/17/28/42/563172842.db2.gz IMXWSIMFMQADIU-NTUHNPAUSA-N 1 0 454.561 5.294 1 0 JKAFRO CC(C)(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4cccc(F)c4)s3)CC2)cc1 ZINC000045167104 563173055 /nfs/dbraw/zinc/17/30/55/563173055.db2.gz MZBLKZAATPOASR-UHFFFAOYSA-N 1 0 450.623 6.246 1 0 JKAFRO O=C(NCCCC[N@H+]1CCC[C@@H]2c3cccc(O)c3CC[C@@H]21)c1ccc(-c2ccccc2)cc1 ZINC000045167482 563173101 /nfs/dbraw/zinc/17/31/01/563173101.db2.gz AIXVGZUOFPCOMV-IAPPQJPRSA-N 1 0 454.614 5.764 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045167441 563173136 /nfs/dbraw/zinc/17/31/36/563173136.db2.gz VXBKAENMPJQXCU-FQEVSTJZSA-N 1 0 450.623 6.104 1 0 JKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)cc2)c1 ZINC000045167344 563173174 /nfs/dbraw/zinc/17/31/74/563173174.db2.gz SFPVCDGSTXZMDG-UHFFFAOYSA-N 1 0 498.630 7.767 1 0 JKAFRO CCCC[C@@H](O)c1cc(O)c2c(c1)OC(C)(C)C[C@H]2C1=CC[N@H+](Cc2ccc3ccccc3c2)CC1 ZINC000045168432 563173712 /nfs/dbraw/zinc/17/37/12/563173712.db2.gz AMLMFZFYSYRFNX-WUFINQPMSA-N 1 0 485.668 7.246 1 0 JKAFRO COC(=O)c1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000045168502 563173783 /nfs/dbraw/zinc/17/37/83/563173783.db2.gz HCEONJOZLUTGSX-BXKMTCNYSA-N 1 0 473.491 5.539 1 0 JKAFRO Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)[C@@H](C)C[NH+]5CCN(C)CC5)c4)cc3)nc21 ZINC000045168673 563173824 /nfs/dbraw/zinc/17/38/24/563173824.db2.gz HLFQYDXHINYQLB-NRFANRHFSA-N 1 0 467.617 5.027 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 ZINC000045168852 563173881 /nfs/dbraw/zinc/17/38/81/563173881.db2.gz FNUBIXIKDLRKFX-HXUWFJFHSA-N 1 0 450.623 6.104 1 0 JKAFRO COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000045168896 563173925 /nfs/dbraw/zinc/17/39/25/563173925.db2.gz RQGDFOJNXCOPGO-UHFFFAOYSA-N 1 0 494.433 5.341 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]CCc5cccnc5)c4)s3)nc2c1 ZINC000045169147 563174041 /nfs/dbraw/zinc/17/40/41/563174041.db2.gz VSRCYSCPRLEDMB-UHFFFAOYSA-N 1 0 478.543 6.705 1 0 JKAFRO Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1OC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000045169044 563174043 /nfs/dbraw/zinc/17/40/43/563174043.db2.gz RJCMBYPTXPLYLP-UHFFFAOYSA-N 1 0 469.560 5.978 1 0 JKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)Nc1ccc(NCC[NH+](C)C)nc1 ZINC000045186740 563174146 /nfs/dbraw/zinc/17/41/46/563174146.db2.gz MCUFVNMEOGSOCJ-LXMZQHMWSA-N 1 0 474.392 5.025 1 0 JKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000045186683 563174148 /nfs/dbraw/zinc/17/41/48/563174148.db2.gz DYXOORDLGDYTQN-OVCLIPMQSA-N 1 0 486.578 6.034 1 0 JKAFRO C[C@@H](Cc1ccc(OCCOc2ccccc2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000045186635 563174252 /nfs/dbraw/zinc/17/42/52/563174252.db2.gz HKIIYLVGOGVZLG-UQBPGWFLSA-N 1 0 459.508 5.417 1 0 JKAFRO CC(=O)Nc1ccc(C[N@H+](Cc2ccc(F)cc2)Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000045187056 563174281 /nfs/dbraw/zinc/17/42/81/563174281.db2.gz LAEHJRVERWVZBR-UHFFFAOYSA-N 1 0 454.545 6.779 1 0 JKAFRO O=C(Cc1ccccc1)NC1(c2ccccc2)CC[NH+](CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000045187402 563174455 /nfs/dbraw/zinc/17/44/55/563174455.db2.gz RGFWGZDVICKUDK-UHFFFAOYSA-N 1 0 455.577 5.200 1 0 JKAFRO C[NH+](C)CCOc1cc(NC(=O)Nc2ccc(-c3ccncc3)c(C(F)(F)F)c2)ccc1Cl ZINC000045187551 563174496 /nfs/dbraw/zinc/17/44/96/563174496.db2.gz FQIOZODURYIIAR-UHFFFAOYSA-N 1 0 478.902 6.005 1 0 JKAFRO CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3nc(N4CC[NH+](C)CC4)ccc3[nH]2)cs1 ZINC000045187984 563174613 /nfs/dbraw/zinc/17/46/13/563174613.db2.gz GCHRMHIQUSPFSJ-UHFFFAOYSA-N 1 0 497.068 5.112 1 0 JKAFRO O=C(c1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1)N1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000045188086 563174707 /nfs/dbraw/zinc/17/47/07/563174707.db2.gz RFMJUAGNJATGQS-FTJBHMTQSA-N 1 0 498.602 5.097 1 0 JKAFRO CC(C)[NH+](CCOc1ccc2c(c1)N(C(=O)Nc1ccc(Cl)c(Cl)c1)CC2)C(C)C ZINC000045188475 563174810 /nfs/dbraw/zinc/17/48/10/563174810.db2.gz ZTJFLLWUKFXJLJ-UHFFFAOYSA-N 1 0 450.410 6.086 1 0 JKAFRO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)c1 ZINC000045188802 563174971 /nfs/dbraw/zinc/17/49/71/563174971.db2.gz WCWCDWUYVFFVHT-UHFFFAOYSA-N 1 0 484.603 7.459 1 0 JKAFRO Cc1cc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)nc(NCCc2ccc(F)cc2)[nH+]1 ZINC000045189081 563175007 /nfs/dbraw/zinc/17/50/07/563175007.db2.gz IIJMZYXDHYDSOM-VWLOTQADSA-N 1 0 469.564 5.241 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000045189070 563175063 /nfs/dbraw/zinc/17/50/63/563175063.db2.gz OJNIISMSNCIXCB-JTVVXKTLSA-N 1 0 488.459 5.644 1 0 JKAFRO CC(=O)Nc1ccc(C[N@H+](Cc2ccc(OC(C)(C)C)cc2)Cc2ccc3c(c2)OCCO3)cc1 ZINC000045189030 563175069 /nfs/dbraw/zinc/17/50/69/563175069.db2.gz LXVGBZGSAYUTDF-UHFFFAOYSA-N 1 0 474.601 5.796 1 0 JKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2cccnc2)cc1)[C@@H]1CCc2c(O)cccc2C1 ZINC000045189189 563175202 /nfs/dbraw/zinc/17/52/02/563175202.db2.gz CHTBFOOGLPVTCI-AREMUKBSSA-N 1 0 457.618 5.234 1 0 JKAFRO O=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1cccc(Br)c1 ZINC000045189633 563175277 /nfs/dbraw/zinc/17/52/77/563175277.db2.gz DQKMGSUWIFOAFK-UHFFFAOYSA-N 1 0 483.454 6.102 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3cc4cc(Cl)ccc4o3)CC2)CC1 ZINC000045189748 563175316 /nfs/dbraw/zinc/17/53/16/563175316.db2.gz OHUSCZZPTLEHJX-UHFFFAOYSA-N 1 0 451.010 6.315 1 0 JKAFRO CCOc1cc(C)ccc1C1CC[NH+](CCCCNC(=O)c2coc(-c3ccc(Cl)cc3)c2)CC1 ZINC000045190625 563175535 /nfs/dbraw/zinc/17/55/35/563175535.db2.gz KNRKGYAUVDVJDP-UHFFFAOYSA-N 1 0 495.063 6.697 1 0 JKAFRO CCCc1ccc(NC(=O)c2cccc(CN3CCC[N@H+](Cc4cccc(O)c4)CC3)c2)cc1 ZINC000045190191 563175561 /nfs/dbraw/zinc/17/55/61/563175561.db2.gz QOJWOMMLDRHXEA-UHFFFAOYSA-N 1 0 457.618 5.305 1 0 JKAFRO CC(C)(C)c1ccc(NC(=O)c2ccc(CN3CCC[N@H+](CC4CCCCC4)CC3)cc2)cc1 ZINC000045190808 563175668 /nfs/dbraw/zinc/17/56/68/563175668.db2.gz MJHDFACFJQPTRF-UHFFFAOYSA-N 1 0 461.694 6.324 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)CC1 ZINC000045191446 563175865 /nfs/dbraw/zinc/17/58/65/563175865.db2.gz KNSBBMNYWHJPEH-UHFFFAOYSA-N 1 0 465.037 5.731 1 0 JKAFRO COc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1-c1cc2cc(Cl)c(Cl)cc2[nH]1 ZINC000045191561 563175937 /nfs/dbraw/zinc/17/59/37/563175937.db2.gz KLIYIJJHYXRWHV-UHFFFAOYSA-N 1 0 474.432 6.189 1 0 JKAFRO O=C(NC[C@@H]1CC[N@H+](Cc2ccsc2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045191787 563175999 /nfs/dbraw/zinc/17/59/99/563175999.db2.gz RBSWAYQGVZHXTI-HNNXBMFYSA-N 1 0 450.551 5.747 1 0 JKAFRO C[C@@H](C[NH+](C)C)C(=O)Nc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045192194 563176164 /nfs/dbraw/zinc/17/61/64/563176164.db2.gz XFTIMJLZGPOGLS-INIZCTEOSA-N 1 0 466.507 6.052 1 0 JKAFRO NC(=O)C1CC[NH+](Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)CC1 ZINC000045192168 563176176 /nfs/dbraw/zinc/17/61/76/563176176.db2.gz JWEKCRWPBWJKQA-UHFFFAOYSA-N 1 0 484.547 5.675 1 0 JKAFRO CCCc1cc(OC)c(C[C@@H]2c3cc(O)c(Cl)cc3[C@H](c3ccccc3)C[N@H+]2C)cc1OC ZINC000045192519 563176254 /nfs/dbraw/zinc/17/62/54/563176254.db2.gz IYLAZUJRKCNETC-UKILVPOCSA-N 1 0 466.021 6.376 1 0 JKAFRO CCN(CCC[NH+]1CCCCC1)c1cc(C)nc(Nc2ccc(Br)cc2F)n1 ZINC000045192513 563176281 /nfs/dbraw/zinc/17/62/81/563176281.db2.gz FIYVAKWPWARCGB-UHFFFAOYSA-N 1 0 450.400 5.133 1 0 JKAFRO CCCc1cc(OC)c(C[C@H]2c3cc(O)c(Cl)cc3[C@@H](c3ccccc3)C[N@H+]2C)cc1OC ZINC000045192527 563176348 /nfs/dbraw/zinc/17/63/48/563176348.db2.gz IYLAZUJRKCNETC-NOZRDPDXSA-N 1 0 466.021 6.376 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccc(C[NH2+]C[C@H]5CCCO5)cc4)c3)nc2c1 ZINC000045192645 563176358 /nfs/dbraw/zinc/17/63/58/563176358.db2.gz BEJXPNYKKQWVMB-JOCHJYFZSA-N 1 0 451.492 6.184 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccc(C[NH2+]C[C@@H]5CCCO5)cc4)c3)nc2c1 ZINC000045192640 563176386 /nfs/dbraw/zinc/17/63/86/563176386.db2.gz BEJXPNYKKQWVMB-QFIPXVFZSA-N 1 0 451.492 6.184 1 0 JKAFRO Cc1cc(NC[C@@H]2CC[N@H+](CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)n1 ZINC000045192605 563176418 /nfs/dbraw/zinc/17/64/18/563176418.db2.gz KYIBBTJIIFUPAW-IBGZPJMESA-N 1 0 458.448 5.605 1 0 JKAFRO CCCc1cc(OC)c(C[C@H]2c3cc(O)c(Cl)cc3[C@H](c3ccccc3)C[N@H+]2C)cc1OC ZINC000045192522 563176430 /nfs/dbraw/zinc/17/64/30/563176430.db2.gz IYLAZUJRKCNETC-ZCYQVOJMSA-N 1 0 466.021 6.376 1 0 JKAFRO COc1cc(C(=O)NC2CC2)ccc1OC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000045193052 563176478 /nfs/dbraw/zinc/17/64/78/563176478.db2.gz VPGUWEIUOZXNJJ-UHFFFAOYSA-N 1 0 470.613 5.263 1 0 JKAFRO C[C@@H](C[NH+](C)C)C(=O)Nc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045193023 563176505 /nfs/dbraw/zinc/17/65/05/563176505.db2.gz ORLSOBFZUWVKII-INIZCTEOSA-N 1 0 466.507 6.052 1 0 JKAFRO O=C(c1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1)N1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000045193001 563176550 /nfs/dbraw/zinc/17/65/50/563176550.db2.gz OIVXNPONLVMQKN-FTJBHMTQSA-N 1 0 498.602 5.097 1 0 JKAFRO COC(=O)c1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)c2)c1 ZINC000045193761 563176785 /nfs/dbraw/zinc/17/67/85/563176785.db2.gz PESPKCQFOBSNAD-UHFFFAOYSA-N 1 0 467.594 6.343 1 0 JKAFRO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045193796 563176789 /nfs/dbraw/zinc/17/67/89/563176789.db2.gz XHBRHSYTDUDLCZ-UHFFFAOYSA-N 1 0 498.574 6.079 1 0 JKAFRO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(-c4ccccc4Cl)cs3)C2)cc1 ZINC000045193802 563176797 /nfs/dbraw/zinc/17/67/97/563176797.db2.gz XNECPWQLKHFHMF-HSZRJFAPSA-N 1 0 481.105 7.151 1 0 JKAFRO C[NH+]1CCC(C(=O)Nc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)CC1 ZINC000045194107 563176909 /nfs/dbraw/zinc/17/69/09/563176909.db2.gz XXEUPJCVDKHMOZ-UHFFFAOYSA-N 1 0 478.518 6.196 1 0 JKAFRO C[NH+](C)CCOc1ccc(NC(=O)Nc2ccnc3c(Br)cccc23)cc1Cl ZINC000045193924 563176918 /nfs/dbraw/zinc/17/69/18/563176918.db2.gz MIMPZJLLDWMYIL-UHFFFAOYSA-N 1 0 463.763 5.235 1 0 JKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]C[C@H]5CCCO5)c4)cc3)nc2c1 ZINC000045195105 563177275 /nfs/dbraw/zinc/17/72/75/563177275.db2.gz DBEANPBPBRHOLO-JOCHJYFZSA-N 1 0 451.492 6.184 1 0 JKAFRO COC(=O)c1cccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)c2)c1 ZINC000045194853 563177330 /nfs/dbraw/zinc/17/73/30/563177330.db2.gz ZBHLENRVGGJKQN-UHFFFAOYSA-N 1 0 461.565 6.282 1 0 JKAFRO O=C(/C=C/c1ccccc1F)NC1CCC(CC[N@@H+]2CCc3ccc(-c4cccnc4)cc3CC2)CC1 ZINC000045195111 563177431 /nfs/dbraw/zinc/17/74/31/563177431.db2.gz ZHQAMDPWXUEJOG-SDNWHVSQSA-N 1 0 497.658 6.067 1 0 JKAFRO CC(C)(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4ccccc4F)s3)CC2)cc1 ZINC000045195583 563177567 /nfs/dbraw/zinc/17/75/67/563177567.db2.gz KYLKOLXMFZQQKJ-UHFFFAOYSA-N 1 0 450.623 6.246 1 0 JKAFRO Cc1ccc(NC(=O)c2ccc3nccnc3c2)cc1OC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000045195598 563177576 /nfs/dbraw/zinc/17/75/76/563177576.db2.gz NPQVLHNCSKIWEV-UHFFFAOYSA-N 1 0 470.548 5.373 1 0 JKAFRO C[NH+](C)CCNCc1nc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)cs1 ZINC000045195560 563177625 /nfs/dbraw/zinc/17/76/25/563177625.db2.gz NTWRAXLZWRNEJP-UHFFFAOYSA-N 1 0 495.652 6.545 1 0 JKAFRO Cc1c(Br)c(-c2ccco2)sc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000045195926 563177717 /nfs/dbraw/zinc/17/77/17/563177717.db2.gz RYNBZRKAVQAZOX-UHFFFAOYSA-N 1 0 472.408 5.512 1 0 JKAFRO CC(C)c1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(-c4ccccc4Cl)cs3)C2)cc1 ZINC000045196355 563177917 /nfs/dbraw/zinc/17/79/17/563177917.db2.gz ZRXAEZDCFXNERP-QHCPKHFHSA-N 1 0 467.078 6.976 1 0 JKAFRO CC(C)(C)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCCN(Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000045201740 563178345 /nfs/dbraw/zinc/17/83/45/563178345.db2.gz AHYMYFIKQULFPC-UHFFFAOYSA-N 1 0 473.636 6.083 1 0 JKAFRO Cc1cc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)nc(NCCc2ccccc2)[nH+]1 ZINC000045201768 563178460 /nfs/dbraw/zinc/17/84/60/563178460.db2.gz QILYPRZKQFHYCV-VWLOTQADSA-N 1 0 451.574 5.102 1 0 JKAFRO CN(C)c1ccc(-c2ccc(C(=O)NC3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)s2)cc1 ZINC000045202003 563178476 /nfs/dbraw/zinc/17/84/76/563178476.db2.gz LPLOMDJWMANCKU-UHFFFAOYSA-N 1 0 475.702 6.173 1 0 JKAFRO O=C(Nc1ccccc1C(F)(F)F)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045201985 563178501 /nfs/dbraw/zinc/17/85/01/563178501.db2.gz HLAVWJRAXIDRJH-UHFFFAOYSA-N 1 0 498.593 6.747 1 0 JKAFRO Cc1cccc(CNc2nc(N[C@@H](Cc3ccccc3)C(=O)NCc3cccc(F)c3)cc(C)[nH+]2)c1 ZINC000045202141 563178585 /nfs/dbraw/zinc/17/85/85/563178585.db2.gz NELWGSYVPMQILL-SANMLTNESA-N 1 0 483.591 5.184 1 0 JKAFRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)cc1 ZINC000045202547 563178862 /nfs/dbraw/zinc/17/88/62/563178862.db2.gz JNZSTQOXZAHBCG-UHFFFAOYSA-N 1 0 467.594 5.590 1 0 JKAFRO CN(C)CC[NH2+]Cc1cccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000045202792 563179001 /nfs/dbraw/zinc/17/90/01/563179001.db2.gz UIHVBUQOGYCWAW-UHFFFAOYSA-N 1 0 488.635 7.089 1 0 JKAFRO CC[C@H]1C[N@@H+]2CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(O)cc21 ZINC000045202813 563179005 /nfs/dbraw/zinc/17/90/05/563179005.db2.gz DPRNSSPTEJWJMN-RWUHBBFHSA-N 1 0 457.401 6.068 1 0 JKAFRO C[NH+](C)CCOc1cc(NC(=O)/C=C/c2cccc3ccccc23)ccc1I ZINC000045202734 563179023 /nfs/dbraw/zinc/17/90/23/563179023.db2.gz QEBPIVMIRHKVAY-JLHYYAGUSA-N 1 0 486.353 5.037 1 0 JKAFRO C[N@H+](CCCCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1)CCCCc1c[nH]c2ccccc12 ZINC000045202753 563179035 /nfs/dbraw/zinc/17/90/35/563179035.db2.gz KVVUNUPCXFDYLL-FYWRMAATSA-N 1 0 486.487 6.729 1 0 JKAFRO C[C@@]1(CC[NH+]2CCC(c3c[nH]c4cnccc34)CC2)CCCc2c(Br)cccc2C1=O ZINC000045203056 563179049 /nfs/dbraw/zinc/17/90/49/563179049.db2.gz WSGHOMCWNIKULJ-SANMLTNESA-N 1 0 480.450 6.120 1 0 JKAFRO Cc1cc2nc(-c3ccc(/C=C/C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)[nH]c2cc1C ZINC000045202957 563179086 /nfs/dbraw/zinc/17/90/86/563179086.db2.gz FPOURSOAOPHXCM-JLHYYAGUSA-N 1 0 464.613 5.641 1 0 JKAFRO COC(=O)c1cccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)c1 ZINC000045203021 563179111 /nfs/dbraw/zinc/17/91/11/563179111.db2.gz NBTAITJPFCBLMH-UHFFFAOYSA-N 1 0 465.528 6.112 1 0 JKAFRO NC(=O)C1CC[NH+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)CC1 ZINC000045202935 563179118 /nfs/dbraw/zinc/17/91/18/563179118.db2.gz ARSCEYSQSOAQOW-UHFFFAOYSA-N 1 0 478.518 5.613 1 0 JKAFRO CCCCCc1cc(O)c2c(c1)OC(C)(C)C[C@H]2C1=CC[N@H+](Cc2cnc3ccccc3c2)CC1 ZINC000045202955 563179154 /nfs/dbraw/zinc/17/91/54/563179154.db2.gz OCDPKTIICXDZKC-SANMLTNESA-N 1 0 470.657 7.150 1 0 JKAFRO CC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3cc(CC[NH+]4CCCC4)ccc3[nH]2)o1 ZINC000045209944 563179236 /nfs/dbraw/zinc/17/92/36/563179236.db2.gz SJPPIBUGXIBFKW-UHFFFAOYSA-N 1 0 478.036 6.740 1 0 JKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cc(F)cc(F)c3)CC2)CC1 ZINC000045209779 563179245 /nfs/dbraw/zinc/17/92/45/563179245.db2.gz VYLHGOATFPGEBZ-IZZDOVSWSA-N 1 0 454.561 5.294 1 0 JKAFRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000045209681 563179255 /nfs/dbraw/zinc/17/92/55/563179255.db2.gz VSYHJVFIYYRKRA-UHFFFAOYSA-N 1 0 492.545 5.952 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@@H+](Cc3ccc(O)cc3)CC2)c1)c1cccc(C(F)(F)F)c1 ZINC000045210762 563179509 /nfs/dbraw/zinc/17/95/09/563179509.db2.gz FWDDYLXKBHKLLW-UHFFFAOYSA-N 1 0 483.534 5.371 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3ccccc3C(F)(F)F)CC2)CC1 ZINC000045210886 563179528 /nfs/dbraw/zinc/17/95/28/563179528.db2.gz RXNLDPZTFDBGGJ-XNTDXEJSSA-N 1 0 470.579 6.334 1 0 JKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1Br)C1CC[NH2+]CC1 ZINC000045226691 563179757 /nfs/dbraw/zinc/17/97/57/563179757.db2.gz VCRZCZFWBINHQN-UHFFFAOYSA-N 1 0 457.199 5.542 1 0 JKAFRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)cc1 ZINC000045227068 563179902 /nfs/dbraw/zinc/17/99/02/563179902.db2.gz ITNGXVHNCHUADR-UHFFFAOYSA-N 1 0 467.594 5.590 1 0 JKAFRO CC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3ccc(CC[NH+](C)C)cc3[nH]2)o1 ZINC000045227003 563179929 /nfs/dbraw/zinc/17/99/29/563179929.db2.gz HGXRMGSVLVNKEW-UHFFFAOYSA-N 1 0 451.998 6.206 1 0 JKAFRO Cc1cc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@H](C)[NH+](C)[C@@H](C)C5)cc34)cc2C)cc(C)n1 ZINC000045227136 563179935 /nfs/dbraw/zinc/17/99/35/563179935.db2.gz MBYXZTHDGYFIBC-VXKWHMMOSA-N 1 0 482.628 6.201 1 0 JKAFRO O=C(/C=C/c1cccc(OC(F)(F)F)c1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000045227345 563180024 /nfs/dbraw/zinc/18/00/24/563180024.db2.gz YVZBNDFNHHSPEL-VAWYXSNFSA-N 1 0 499.577 6.246 1 0 JKAFRO O=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)c1ccc(-c2ccccc2)nc1 ZINC000045227567 563180049 /nfs/dbraw/zinc/18/00/49/563180049.db2.gz SMRFSYKNARMJLD-UHFFFAOYSA-N 1 0 466.629 6.010 1 0 JKAFRO O=C(NC[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045227586 563180123 /nfs/dbraw/zinc/18/01/23/563180123.db2.gz QJUURZMUQZPDCO-QGZVFWFLSA-N 1 0 462.512 5.825 1 0 JKAFRO C[NH+](C)CC[C@@H]1CCCc2ccc(NC(=O)Nc3ccc(-c4ccncc4)c4ccccc34)cc21 ZINC000045228062 563180288 /nfs/dbraw/zinc/18/02/88/563180288.db2.gz KGBSDBPPPUEHRF-QFIPXVFZSA-N 1 0 464.613 6.917 1 0 JKAFRO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)cc2)c1 ZINC000045227993 563180308 /nfs/dbraw/zinc/18/03/08/563180308.db2.gz FHJOAXOVTFQACH-UHFFFAOYSA-N 1 0 467.594 6.343 1 0 JKAFRO C[NH+](C)CC[C@H]1CCCc2ccc(NC(=O)Nc3ccc(-c4ccncc4)c4ccccc34)cc21 ZINC000045228065 563180341 /nfs/dbraw/zinc/18/03/41/563180341.db2.gz KGBSDBPPPUEHRF-JOCHJYFZSA-N 1 0 464.613 6.917 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@@H+](Cc3ccc(O)cc3)CC2)c1)c1cc2ccccc2s1 ZINC000045228555 563180422 /nfs/dbraw/zinc/18/04/22/563180422.db2.gz LMGUUGOBEYRKOJ-UHFFFAOYSA-N 1 0 471.626 5.567 1 0 JKAFRO CC(C)c1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000045228867 563180504 /nfs/dbraw/zinc/18/05/04/563180504.db2.gz SEPJDEZFAGHIEX-XMMPIXPASA-N 1 0 478.614 5.009 1 0 JKAFRO COc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)s2)CC1 ZINC000045229285 563180662 /nfs/dbraw/zinc/18/06/62/563180662.db2.gz ZPHYTMBOZNBGGG-UHFFFAOYSA-N 1 0 474.548 5.837 1 0 JKAFRO O=C(c1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1)N1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000045229608 563180772 /nfs/dbraw/zinc/18/07/72/563180772.db2.gz XSKSEXCNQSYOFN-FTJBHMTQSA-N 1 0 498.602 5.097 1 0 JKAFRO CC(C)(C)c1ccc(NC(=O)c2cccc(C[N@@H+]3CCCN(Cc4cccc(Cl)c4)CC3)c2)cc1 ZINC000045229540 563180805 /nfs/dbraw/zinc/18/08/05/563180805.db2.gz YBIKJLBJHSUSBA-UHFFFAOYSA-N 1 0 490.091 6.598 1 0 JKAFRO Cc1cccc(CNc2nc(N[C@@H](Cc3ccccc3)C(=O)NCCc3ccccc3)cc(C)[nH+]2)c1 ZINC000045229656 563180942 /nfs/dbraw/zinc/18/09/42/563180942.db2.gz OUBOYRVRLYCXTH-MHZLTWQESA-N 1 0 479.628 5.088 1 0 JKAFRO CN(C)c1ccc(-c2csc(C(=O)NC[C@@H]3CC[N@H+](Cc4cccc(C(F)(F)F)c4)C3)c2)cc1 ZINC000045229887 563180970 /nfs/dbraw/zinc/18/09/70/563180970.db2.gz MKLDTECGNKEAQR-IBGZPJMESA-N 1 0 487.591 5.752 1 0 JKAFRO Cc1cc(-c2nc3cc(N4CC[NH+](C)CC4)ccc3[nH]2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000045229683 563180997 /nfs/dbraw/zinc/18/09/97/563180997.db2.gz HHRIDABICASBSD-UHFFFAOYSA-N 1 0 493.055 5.223 1 0 JKAFRO Cc1cc(Cl)ccc1NC(=O)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000045230371 563181185 /nfs/dbraw/zinc/18/11/85/563181185.db2.gz VAJZWAFLWACKID-UHFFFAOYSA-N 1 0 453.030 6.301 1 0 JKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H](c2c[nH]c3ccccc32)C1 ZINC000045230609 563181201 /nfs/dbraw/zinc/18/12/01/563181201.db2.gz YLQZKMMSVLCCHI-ZOXUKVPXSA-N 1 0 484.471 6.654 1 0 JKAFRO C[C@H](Cc1ccc(OCc2ccccc2)c(Cl)c1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000045230886 563181328 /nfs/dbraw/zinc/18/13/28/563181328.db2.gz XLFXFVTYEMKFBE-HXOBKFHXSA-N 1 0 463.927 6.192 1 0 JKAFRO CCC[C@]1(CC)Cc2c(cccc2C[NH+]2CCC3(CCN(C(=O)c4ccc(N)cn4)CC3)CC2)O1 ZINC000045253623 563182202 /nfs/dbraw/zinc/18/22/02/563182202.db2.gz KXLSNWXEEUBBQQ-GDLZYMKVSA-N 1 0 476.665 5.066 1 0 JKAFRO Cc1ccc2c(c1)nc(N1CC[NH2+]C(C)(C)C1)nc2NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000045254503 563182404 /nfs/dbraw/zinc/18/24/04/563182404.db2.gz YMPDOPQOELVBID-UHFFFAOYSA-N 1 0 498.606 5.130 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](CCc3ccco3)CC2)cc1 ZINC000045258087 563182880 /nfs/dbraw/zinc/18/28/80/563182880.db2.gz IPEKTECOTLVVQL-UHFFFAOYSA-N 1 0 461.606 5.312 1 0 JKAFRO O=c1[nH]c2cccc(OCC3CC[NH+](CC[C@H]4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 ZINC000045258002 563182892 /nfs/dbraw/zinc/18/28/92/563182892.db2.gz VYIBBUMRFFRMSQ-QGZVFWFLSA-N 1 0 463.553 5.028 1 0 JKAFRO C[NH+](C)CC[C@@H](NC(=O)c1cccc(-c2ccc3ccccc3c2)c1)c1ccc2ccccc2c1 ZINC000045283349 563183358 /nfs/dbraw/zinc/18/33/58/563183358.db2.gz VAPVNAADJMMZCR-WJOKGBTCSA-N 1 0 458.605 7.083 1 0 JKAFRO C[C@H](c1ccccc1)[N@@H+]1CCC(=O)[C@@]2(C1)[C@@H](c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000045284171 563183609 /nfs/dbraw/zinc/18/36/09/563183609.db2.gz BAXBEDRTWUIDIQ-CVVYAJMMSA-N 1 0 488.631 6.943 1 0 JKAFRO Cc1ccc([C@@H]2c3cc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)ccc3NC2=O)o1 ZINC000045290356 563184822 /nfs/dbraw/zinc/18/48/22/563184822.db2.gz SWEIGEVGEYGUOU-KMRXNPHXSA-N 1 0 478.552 5.164 1 0 JKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)OC)c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045301103 563185692 /nfs/dbraw/zinc/18/56/92/563185692.db2.gz KFKUBCFGBPRMGS-UHFFFAOYSA-N 1 0 499.655 5.758 1 0 JKAFRO CN(C)c1ccc(-c2csc(C(=O)N[C@H]3CC[N@H+](Cc4ccc(C(C)(C)C)cc4)C3)c2)cc1 ZINC000045301953 563185971 /nfs/dbraw/zinc/18/59/71/563185971.db2.gz QTFXHBGEJCCZOO-DEOSSOPVSA-N 1 0 461.675 5.783 1 0 JKAFRO O=C(Nc1cccc(CN2CCC[N@@H+](Cc3ccc(O)cc3)CC2)c1)c1ccc2ccccc2c1 ZINC000045302047 563185986 /nfs/dbraw/zinc/18/59/86/563185986.db2.gz BVEKEEDHIIIABO-UHFFFAOYSA-N 1 0 465.597 5.506 1 0 JKAFRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 ZINC000045301892 563186010 /nfs/dbraw/zinc/18/60/10/563186010.db2.gz TZONAFQWXPMWNQ-WJOKGBTCSA-N 1 0 458.605 7.083 1 0 JKAFRO COc1ccccc1-c1csc(C(=O)N[C@H]2CCCC[N@H+](Cc3ccc(C(C)(C)C)cc3)C2)c1 ZINC000045302029 563186021 /nfs/dbraw/zinc/18/60/21/563186021.db2.gz IYFWIBMAUYRCEN-DEOSSOPVSA-N 1 0 476.686 6.506 1 0 JKAFRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@]2(C1)ON(c1ccccc1)[C@H](c1ccccc1)[C@@H]2c1cccs1 ZINC000045302130 563186111 /nfs/dbraw/zinc/18/61/11/563186111.db2.gz YWECBCUHWCRYCV-ZGYHLWMKSA-N 1 0 480.677 7.621 1 0 JKAFRO Cn1nccc1-c1cc(NC(=O)Nc2ccccc2Cl)ccc1OCC[NH+]1CCCCC1 ZINC000045302336 563186302 /nfs/dbraw/zinc/18/63/02/563186302.db2.gz WPQIEXDUXUHJGL-UHFFFAOYSA-N 1 0 453.974 5.249 1 0 JKAFRO COc1ccc(-c2cccc(C[NH2+]C3CCN(C[C@H]4Cn5c6c4c(F)ccc6ccc5=O)CC3)c2)cc1 ZINC000045302707 563186650 /nfs/dbraw/zinc/18/66/50/563186650.db2.gz QRMFMOWDZLQSJK-VWLOTQADSA-N 1 0 497.614 5.168 1 0 JKAFRO O=C(Nc1cccc(C[N@@H+]2CCCN(Cc3ccc4c(c3)OCO4)CC2)c1)c1cc2ccccc2s1 ZINC000045303095 563187057 /nfs/dbraw/zinc/18/70/57/563187057.db2.gz GDMMQCJETCMAJT-UHFFFAOYSA-N 1 0 499.636 5.590 1 0 JKAFRO Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000045315880 563187418 /nfs/dbraw/zinc/18/74/18/563187418.db2.gz FXDXBYUZINJHRN-UHFFFAOYSA-N 1 0 498.631 5.060 1 0 JKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cc(C(F)(F)F)ccc3F)CC2)CC1 ZINC000045317346 563187613 /nfs/dbraw/zinc/18/76/13/563187613.db2.gz UZJVWBPFMMPQOL-AWNIVKPZSA-N 1 0 488.569 6.473 1 0 JKAFRO OCCN1CC[NH+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)CC1 ZINC000045317789 563187623 /nfs/dbraw/zinc/18/76/23/563187623.db2.gz VVJXZFIYYTXTKJ-UHFFFAOYSA-N 1 0 480.534 5.026 1 0 JKAFRO CC(C)CCCC(C)(C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(CCC2CC2)c1 ZINC000045321819 563188204 /nfs/dbraw/zinc/18/82/04/563188204.db2.gz MWWJLFGCZJZRHG-URLMMPGGSA-N 1 0 478.721 5.926 1 0 JKAFRO CCOc1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)ccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000045322358 563188482 /nfs/dbraw/zinc/18/84/82/563188482.db2.gz CHZMFZHXFMVXGE-KRWDZBQOSA-N 1 0 455.002 5.276 1 0 JKAFRO O=C(Nc1ccc2c(c1)CCN2[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)c1ccco1 ZINC000045322711 563188516 /nfs/dbraw/zinc/18/85/16/563188516.db2.gz KXXHETNQPANAOE-OAQYLSRUSA-N 1 0 455.480 5.188 1 0 JKAFRO COc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2Cl)cc1N1CC[NH+](C)CC1 ZINC000045323143 563188794 /nfs/dbraw/zinc/18/87/94/563188794.db2.gz OOVUGPUWWZNENG-UHFFFAOYSA-N 1 0 450.970 5.411 1 0 JKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2cc3nccc(N4CC[N@@H+]5CCC[C@H]5C4)c3cc21 ZINC000045323990 563188976 /nfs/dbraw/zinc/18/89/76/563188976.db2.gz ZIBXIOCMVUGOEZ-SFHVURJKSA-N 1 0 482.415 5.421 1 0 JKAFRO CN(CC[NH+](C)C)Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)o1 ZINC000045323848 563188991 /nfs/dbraw/zinc/18/89/91/563188991.db2.gz GXLOYDKPJLCFJB-UHFFFAOYSA-N 1 0 492.623 7.024 1 0 JKAFRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000045323837 563189025 /nfs/dbraw/zinc/18/90/25/563189025.db2.gz JIMMZFPSHGORFU-ZRDIBKRKSA-N 1 0 496.482 6.872 1 0 JKAFRO O=S(=O)(Nc1cccc(CCN2CCC([NH+]3CCCCC3)CC2)c1)c1cccc2ccccc21 ZINC000045324022 563189027 /nfs/dbraw/zinc/18/90/27/563189027.db2.gz ZRXODRQUTSEWOQ-UHFFFAOYSA-N 1 0 477.674 5.133 1 0 JKAFRO COc1cccc(C(=O)[C@H]2C[C@@H]2C[N@H+]2CC=C(c3c[nH]c4cccc(Br)c43)CC2)c1 ZINC000045324620 563189244 /nfs/dbraw/zinc/18/92/44/563189244.db2.gz MXEWUAJHINAMCA-QUCCMNQESA-N 1 0 465.391 5.547 1 0 JKAFRO O=C(Nc1cccc(C[N@H+]2CCCN(Cc3cccc(O)c3)CC2)c1)c1cc2ccccc2s1 ZINC000045334767 563189624 /nfs/dbraw/zinc/18/96/24/563189624.db2.gz NOQGVARZCCASLJ-UHFFFAOYSA-N 1 0 471.626 5.567 1 0 JKAFRO O=C(NC1CCC([NH+]2CCC(c3ccccc3C(F)(F)F)CC2)CC1)c1cc2ccccc2[nH]1 ZINC000045334949 563189765 /nfs/dbraw/zinc/18/97/65/563189765.db2.gz OUUCCVOUAJQYRU-UHFFFAOYSA-N 1 0 469.551 6.107 1 0 JKAFRO Cn1c2ccccc2n(C2CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1=O ZINC000045336816 563190331 /nfs/dbraw/zinc/19/03/31/563190331.db2.gz JBUPYPVWTWDSFW-UHFFFAOYSA-N 1 0 475.583 5.867 1 0 JKAFRO O=C(Nc1cccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1)c1cc2ccccc2s1 ZINC000045337301 563190511 /nfs/dbraw/zinc/19/05/11/563190511.db2.gz DYWVVBMQYAAMLI-UHFFFAOYSA-N 1 0 473.617 6.001 1 0 JKAFRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045338377 563190790 /nfs/dbraw/zinc/19/07/90/563190790.db2.gz DJJYZTJOJFULRM-HXUWFJFHSA-N 1 0 486.603 6.809 1 0 JKAFRO Nc1ncc2c(n1)c(-c1cc3c[nH]nc3c(-c3cc4ccccc4s3)c1)cn2CCC1CC[NH2+]CC1 ZINC000045338839 563190911 /nfs/dbraw/zinc/19/09/11/563190911.db2.gz USFSEVLTPLUQBS-UHFFFAOYSA-N 1 0 493.640 5.828 1 0 JKAFRO O=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(Cl)cc1Cl ZINC000045339083 563190975 /nfs/dbraw/zinc/19/09/75/563190975.db2.gz PLGSTSOEESWPTN-UHFFFAOYSA-N 1 0 473.448 6.646 1 0 JKAFRO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc1)CC2 ZINC000045339319 563191068 /nfs/dbraw/zinc/19/10/68/563191068.db2.gz PTUVDCSPKIOWHE-UHFFFAOYSA-N 1 0 490.003 5.692 1 0 JKAFRO CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000045348126 563191418 /nfs/dbraw/zinc/19/14/18/563191418.db2.gz VIGCTORXUURCGO-UHFFFAOYSA-N 1 0 456.630 5.499 1 0 JKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3cccc(O)c3)cc12 ZINC000045351148 563191862 /nfs/dbraw/zinc/19/18/62/563191862.db2.gz DGGUKZUZMYVZMB-QFIPXVFZSA-N 1 0 450.542 5.255 1 0 JKAFRO Cc1[nH]nc2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12 ZINC000045354426 563192210 /nfs/dbraw/zinc/19/22/10/563192210.db2.gz RCRPFFUFPBVPHF-IBGZPJMESA-N 1 0 464.529 5.018 1 0 JKAFRO COc1ccc2cc3[n+](cc2c1OCCCCCOc1ccccc1)CCc1cc2c(cc1-3)OCO2 ZINC000045355990 563192358 /nfs/dbraw/zinc/19/23/58/563192358.db2.gz DIJNAHNGFYBCMU-UHFFFAOYSA-N 1 0 484.572 5.716 1 0 in-vivo JKAFRO CC(C)OC(=O)C1=CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045369676 563193621 /nfs/dbraw/zinc/19/36/21/563193621.db2.gz JQBMRWPCFKIIHS-UHFFFAOYSA-N 1 0 499.655 5.880 1 0 JKAFRO Cc1cc(=O)oc2c3c(ccc12)oc(C(=O)c1cccc(OCC[NH+](C)C)c1)c3-c1ccccc1 ZINC000045370964 563193685 /nfs/dbraw/zinc/19/36/85/563193685.db2.gz ZLIDGLUMLZRHIN-UHFFFAOYSA-N 1 0 467.521 5.686 1 0 JKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@@H](COC(=O)Nc2c(F)cccc2F)c2ccccc2)s1 ZINC000045385448 563194428 /nfs/dbraw/zinc/19/44/28/563194428.db2.gz TXSJYFVZTQULMK-IBGZPJMESA-N 1 0 467.497 5.832 1 0 JKAFRO O=C(c1ccc(Cn2c3ccccc3nc2-c2ccccc2)cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000045391088 563195112 /nfs/dbraw/zinc/19/51/12/563195112.db2.gz ADZIWICILUZNFO-RUZDIDTESA-N 1 0 450.586 5.062 1 0 JKAFRO COC(=O)[C@@H](Oc1cccc(-c2ccc3sc(C(N)=[NH2+])cc3c2)c1)c1ccc(Cl)cc1 ZINC000045391980 563195163 /nfs/dbraw/zinc/19/51/63/563195163.db2.gz XXDFWWPPZARXSE-QFIPXVFZSA-N 1 0 450.947 5.799 1 0 JKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3cc(Cl)ccc3O)cc12 ZINC000045392174 563195169 /nfs/dbraw/zinc/19/51/69/563195169.db2.gz JGRVNYCDFQYPQZ-NRFANRHFSA-N 1 0 484.987 5.908 1 0 JKAFRO COC(=O)[C@H](Oc1cccc(-c2ccc3sc(C(N)=[NH2+])cc3c2)c1)c1ccc(Cl)cc1 ZINC000045391976 563195176 /nfs/dbraw/zinc/19/51/76/563195176.db2.gz XXDFWWPPZARXSE-JOCHJYFZSA-N 1 0 450.947 5.799 1 0 JKAFRO COc1cc2nc(N3CCC([NH+]4CCCC4)CC3)nc(NC3CCC(C(C)(C)C)CC3)c2cc1OC ZINC000045495490 563195573 /nfs/dbraw/zinc/19/55/73/563195573.db2.gz TWZKMUNWEGUVHY-UHFFFAOYSA-N 1 0 495.712 5.728 1 0 JKAFRO CC(C)c1ccc(/C=C\C(=O)N2CCC(CC[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc1 ZINC000048307293 563196461 /nfs/dbraw/zinc/19/64/61/563196461.db2.gz BCEJNRDUYBZMEU-XFXZXTDPSA-N 1 0 483.700 6.813 1 0 JKAFRO O=C(Nc1cccc(Cl)c1)c1cc(N2CCC([NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000049032845 563198033 /nfs/dbraw/zinc/19/80/33/563198033.db2.gz LVBQGVRVSQECGL-UHFFFAOYSA-N 1 0 451.920 5.676 1 0 JKAFRO [NH3+][C@H](CNc1nnc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)s1)Cc1cccc(C(F)(F)F)c1 ZINC000049034260 563198361 /nfs/dbraw/zinc/19/83/61/563198361.db2.gz ZQQBIGSVNNCTCR-IBGZPJMESA-N 1 0 494.546 5.749 1 0 JKAFRO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](C[C@@H](C)c4ccccc4)[C@@H]2N3C)cc1 ZINC000049034308 563198476 /nfs/dbraw/zinc/19/84/76/563198476.db2.gz JWDHHFCANLWIQY-SHZFFEMHSA-N 1 0 483.656 6.964 1 0 JKAFRO CCCCCCNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc3ccc(=O)oc3c2)c1 ZINC000049034444 563198514 /nfs/dbraw/zinc/19/85/14/563198514.db2.gz ZRCBPVTWLWOJLM-UHFFFAOYSA-N 1 0 466.578 5.363 1 0 JKAFRO CC[N@@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)CC1CCC1 ZINC000049035317 563198691 /nfs/dbraw/zinc/19/86/91/563198691.db2.gz CXVCSBLKJVSRPW-UHFFFAOYSA-N 1 0 452.952 6.344 1 0 JKAFRO O=C(CCc1c[nH]c2ccccc12)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000049037728 563199239 /nfs/dbraw/zinc/19/92/39/563199239.db2.gz NTISYWBCRKDSDB-UHFFFAOYSA-N 1 0 468.645 6.316 1 0 JKAFRO COc1cccc(N2CC[NH+](C[C@H](O)CO[C@@H](c3ccccc3)c3cccc4ccccc43)CC2)c1 ZINC000049054141 563200340 /nfs/dbraw/zinc/20/03/40/563200340.db2.gz XBKCDFABLBETPL-DHIFEGFHSA-N 1 0 482.624 5.138 1 0 JKAFRO Oc1ccc2c(c1)O[C@@H](c1ccc(OCC[NH+]3CCCCCC3)cc1)C1=C2CCOc2ccccc21 ZINC000049054153 563200348 /nfs/dbraw/zinc/20/03/48/563200348.db2.gz YVAJBGGOMIUCAI-HKBQPEDESA-N 1 0 483.608 6.474 1 0 JKAFRO COc1cccc(N2CC[NH+](C[C@H](O)CO[C@H](c3ccccc3)c3cccc4ccccc43)CC2)c1 ZINC000049054147 563200350 /nfs/dbraw/zinc/20/03/50/563200350.db2.gz XBKCDFABLBETPL-JTSJOTPCSA-N 1 0 482.624 5.138 1 0 JKAFRO Cc1cc2[nH]nc(C=Cc3cccc(CN4CC[NH+](C)CC4)c3)c2cc1NC(=O)Cc1cccs1 ZINC000049070289 563201195 /nfs/dbraw/zinc/20/11/95/563201195.db2.gz JNCRJZQZLMYLLM-CMDGGOBGSA-N 1 0 485.657 5.032 1 0 JKAFRO [NH3+]CCc1cn(Cc2ccc(-c3ccccc3)cc2)c2ccc(OCCc3ccc(O)cc3)cc12 ZINC000049071317 563201304 /nfs/dbraw/zinc/20/13/04/563201304.db2.gz ONLFVEWFNWQIBS-UHFFFAOYSA-N 1 0 462.593 6.185 1 0 JKAFRO O[C@@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000049089004 563201738 /nfs/dbraw/zinc/20/17/38/563201738.db2.gz UVUBDLWVHYJJNN-OFSOJUDTSA-N 1 0 470.588 5.268 1 0 JKAFRO O[C@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000049089007 563201743 /nfs/dbraw/zinc/20/17/43/563201743.db2.gz UVUBDLWVHYJJNN-BHBYDHKZSA-N 1 0 470.588 5.268 1 0 JKAFRO Nc1cc(Oc2ccc(Nc3ccncc3C(=O)Nc3ccc(F)cc3F)cc2F)cc[nH+]1 ZINC000049089122 563201847 /nfs/dbraw/zinc/20/18/47/563201847.db2.gz IJHYURKJHDVSGK-UHFFFAOYSA-N 1 0 451.408 5.264 1 0 JKAFRO Oc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000049089770 563201986 /nfs/dbraw/zinc/20/19/86/563201986.db2.gz OKLGGBGAMNAZTC-GDLZYMKVSA-N 1 0 471.553 5.399 1 0 JKAFRO c1ccc(-c2ccc(OCC[NH2+]C[C@@H]3COC(c4ccccc4)(c4ccccc4)O3)cc2)cc1 ZINC000049110048 563202179 /nfs/dbraw/zinc/20/21/79/563202179.db2.gz FBYVWPPEENYVFP-GDLZYMKVSA-N 1 0 451.566 5.639 1 0 JKAFRO Nc1[nH]c2ccc(-c3c(-c4cccc(NC(=O)c5ccccc5Cl)c4)nc4sccn43)cc2[nH+]1 ZINC000049115278 563202809 /nfs/dbraw/zinc/20/28/09/563202809.db2.gz XQFKEPZMCJQYEV-UHFFFAOYSA-N 1 0 484.972 6.094 1 0 JKAFRO CSc1ncc(C(=O)Nc2ccc(F)cc2F)c(Nc2ccc(Oc3cc[nH+]c(N)c3)c(F)c2)n1 ZINC000049783682 563203631 /nfs/dbraw/zinc/20/36/31/563203631.db2.gz YVLGPYOFSVFSHS-UHFFFAOYSA-N 1 0 498.490 5.381 1 0 JKAFRO CC(C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc2cc(O)ccc2c1 ZINC000049785730 563203839 /nfs/dbraw/zinc/20/38/39/563203839.db2.gz YPKQMHKJOIWRQX-FCIAUAKVSA-N 1 0 460.618 5.305 1 0 JKAFRO CCN(C(=O)NCc1cc(F)cc(F)c1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000049808067 563204267 /nfs/dbraw/zinc/20/42/67/563204267.db2.gz HUVONZJTAPOCEK-UHFFFAOYSA-N 1 0 491.626 6.183 1 0 JKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCC(Cc6ccccc6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000049881414 563204579 /nfs/dbraw/zinc/20/45/79/563204579.db2.gz LPNKPPPLSXSTCM-NOFINNCCSA-N 1 0 465.722 5.684 1 0 JKAFRO CC(C)Oc1ccccc1N1CC[NH+](C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 ZINC000053199479 563205188 /nfs/dbraw/zinc/20/51/88/563205188.db2.gz NIQWPNGICRVKCM-UHFFFAOYSA-N 1 0 472.580 5.007 1 0 JKAFRO CCCCN(CCCC)CC1(C[NH+](CCCC)CCCC)Oc2cc(OC)cc(OC)c2C1=O ZINC000053295363 563205644 /nfs/dbraw/zinc/20/56/44/563205644.db2.gz BHVNDWFZTGOYTN-UHFFFAOYSA-N 1 0 476.702 5.822 1 0 JKAFRO COc1ccc2c3c1O[C@H]1[C@@H](O)[C@](C)(CCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000058482368 563206525 /nfs/dbraw/zinc/20/65/25/563206525.db2.gz PJOCZBOZFMFWLZ-HTASYEFSSA-N 1 0 487.684 5.535 1 0 JKAFRO CC[C@](C)(CC[NH+]1CCC(F)CC1)N(Cc1cc2ccccc2n(C)c1=O)C(=O)C1CCCCC1 ZINC000058506500 563206731 /nfs/dbraw/zinc/20/67/31/563206731.db2.gz UAQBKXULTPZUGJ-GDLZYMKVSA-N 1 0 483.672 5.440 1 0 JKAFRO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3C[C@H]4C[C@@]4(c4ccc(Cl)cc4)C3)n2C)n1 ZINC000058519877 563206811 /nfs/dbraw/zinc/20/68/11/563206811.db2.gz AAONJNLMLWRZJE-HRFSGMKKSA-N 1 0 490.076 5.748 1 0 JKAFRO Cc1[nH]c(-c2ccc(Cl)cc2)cc1C(=O)NCCC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000058541506 563207224 /nfs/dbraw/zinc/20/72/24/563207224.db2.gz PCOMTRLWZYZHGA-UHFFFAOYSA-N 1 0 465.041 5.202 1 0 JKAFRO O=C(CCC[NH2+]Cc1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000058569221 563207490 /nfs/dbraw/zinc/20/74/90/563207490.db2.gz LPZQMTRVMZMOPU-NDEPHWFRSA-N 1 0 462.037 5.144 1 0 JKAFRO CCNc1cccc(C2CC[NH+](CCCNc3nc4ccccc4n3-c3ccc(F)cc3)CC2)c1 ZINC000058591896 563208194 /nfs/dbraw/zinc/20/81/94/563208194.db2.gz FMODLRJXIQQOLL-UHFFFAOYSA-N 1 0 471.624 6.278 1 0 JKAFRO Cc1cc(OC(F)(F)F)ccc1-c1ccn(-c2ccc3c(cnn3CC[NH+]3CCCC3)c2)c(=O)c1 ZINC000059084052 563208787 /nfs/dbraw/zinc/20/87/87/563208787.db2.gz KBDIDGDXWYOODQ-UHFFFAOYSA-N 1 0 482.506 5.157 1 0 JKAFRO C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](Cc2ccccc2)CC1 ZINC000059687980 563209164 /nfs/dbraw/zinc/20/91/64/563209164.db2.gz QAYFVNCGVVULCG-QFIPXVFZSA-N 1 0 485.643 7.488 1 0 JKAFRO CC(C)c1ccc(S(=O)(=O)n2c3ccc(Br)cc3c3c2CC[C@H]([NH+](C)C)C3)cc1 ZINC000060325701 563209464 /nfs/dbraw/zinc/20/94/64/563209464.db2.gz FJDBTILNQCEBQX-SFHVURJKSA-N 1 0 475.452 5.183 1 0 JKAFRO FC(F)(F)c1cc(CCN2CC[NH2+]C[C@H]2Cc2cccc3ccccc32)cc(C(F)(F)F)c1 ZINC000061711140 563209600 /nfs/dbraw/zinc/20/96/00/563209600.db2.gz LFOBRSPYTQPWCV-JOCHJYFZSA-N 1 0 466.469 5.936 3 0 JKAFRO COc1ccc(OCC[NH+]2CCC(C(=O)N[C@H](c3ccccc3)c3ccc4ccccc4n3)CC2)cc1 ZINC000061898088 563209926 /nfs/dbraw/zinc/20/99/26/563209926.db2.gz CLUCMFKOKXHDQU-SSEXGKCCSA-N 1 0 495.623 5.240 3 0 JKAFRO [NH3+][C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccc(C(=O)NCc3ccco3)cn2)n1 ZINC000061902820 563209980 /nfs/dbraw/zinc/20/99/80/563209980.db2.gz HTHHJFSWGBGAQI-SFHVURJKSA-N 1 0 487.507 5.066 3 0 JKAFRO O=C(N[C@H](c1ccc(Cl)cc1)c1cnccn1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000061904110 563210166 /nfs/dbraw/zinc/21/01/66/563210166.db2.gz AIRRKTKDHZABGM-HSZRJFAPSA-N 1 0 488.941 5.267 3 0 JKAFRO Cc1cccnc1[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000061904774 563210220 /nfs/dbraw/zinc/21/02/20/563210220.db2.gz LVUQJXPLJCHPSX-RUZDIDTESA-N 1 0 451.973 5.300 3 0 JKAFRO COc1ccc(C[C@H]([NH3+])c2csc(NC(=O)Nc3ccccc3Oc3ccccc3)n2)cc1 ZINC000061906166 563210429 /nfs/dbraw/zinc/21/04/29/563210429.db2.gz OSGYGESGCQFFOK-FQEVSTJZSA-N 1 0 460.559 5.831 3 0 JKAFRO Cc1cccnc1[C@H](NC(=O)C1CC[NH+](Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1 ZINC000061906170 563210451 /nfs/dbraw/zinc/21/04/51/563210451.db2.gz NEOHLARHYYOGQU-WJOKGBTCSA-N 1 0 491.635 6.300 3 0 JKAFRO COc1ccc([C@H](NC(=O)C2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c2cccs2)cc1 ZINC000061906361 563210491 /nfs/dbraw/zinc/21/04/91/563210491.db2.gz DLFYXZQFSFQLCR-VWLOTQADSA-N 1 0 485.049 5.407 3 0 JKAFRO COc1ccc([C@@H](NC(=O)C2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c2cccs2)cc1 ZINC000061906362 563210497 /nfs/dbraw/zinc/21/04/97/563210497.db2.gz DLFYXZQFSFQLCR-RUZDIDTESA-N 1 0 485.049 5.407 3 0 JKAFRO CCCCNC(=O)[C@@]1(C)CCCCC[N@@H+]1Cc1cccc2c(OC)cc(C(=O)OCC)cc12 ZINC000061906568 563210512 /nfs/dbraw/zinc/21/05/12/563210512.db2.gz NXGRKAXQHFEYFD-HHHXNRCGSA-N 1 0 454.611 5.076 3 0 JKAFRO COc1ccc(C[C@H]([NH3+])c2csc(NC(=O)Nc3ccccc3Cc3ccccc3)n2)cc1 ZINC000061906648 563210515 /nfs/dbraw/zinc/21/05/15/563210515.db2.gz SYHJZJGJSPUZSE-QFIPXVFZSA-N 1 0 458.587 5.629 3 0 JKAFRO Cc1ccc([C@@H](NC(=O)C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)c2ccccn2)cc1 ZINC000061907327 563210587 /nfs/dbraw/zinc/21/05/87/563210587.db2.gz NZZHOBKADQQTNO-AREMUKBSSA-N 1 0 498.454 5.693 3 0 JKAFRO Cc1ccc([C@H](NC(=O)C2CC[NH+](CCOc3ccc(Cl)cc3Cl)CC2)c2ccccn2)cc1 ZINC000061907326 563210592 /nfs/dbraw/zinc/21/05/92/563210592.db2.gz NZZHOBKADQQTNO-SANMLTNESA-N 1 0 498.454 5.693 3 0 JKAFRO COc1ccc(OCC[NH+]2CCC(C(=O)N[C@H](c3ccc(Cl)cc3)c3ncccc3C)CC2)cc1 ZINC000061908984 563210829 /nfs/dbraw/zinc/21/08/29/563210829.db2.gz HKJSRFVGWVMVOQ-HHHXNRCGSA-N 1 0 494.035 5.049 3 0 JKAFRO COc1ccc(OCC[NH+]2CCC(C(=O)N[C@@H](c3ccc(Cl)cc3)c3ncccc3C)CC2)cc1 ZINC000061908985 563210844 /nfs/dbraw/zinc/21/08/44/563210844.db2.gz HKJSRFVGWVMVOQ-MHZLTWQESA-N 1 0 494.035 5.049 3 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3oc(C)cc3C(=O)N(C)C)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823559 581100630 /nfs/dbraw/zinc/10/06/30/581100630.db2.gz HIHJSISXWCVUQG-ZFVKCIPTSA-N 1 0 488.584 5.074 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cc(F)cc4c3OCOC4)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823551 581100667 /nfs/dbraw/zinc/10/06/67/581100667.db2.gz NKWYCFUVLCSSRA-RDIDUAHJSA-N 1 0 489.543 5.476 1 0 JKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4ccccc4)c3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823492 581100670 /nfs/dbraw/zinc/10/06/70/581100670.db2.gz DDLPDJJVTVQHQU-JKHUWTJRSA-N 1 0 489.615 7.138 1 0 JKAFRO