smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCC[C@@H]6CCCC[C@H]65)C4=O)cc3)sc2c1 ZINC000001010209 194002594 /nfs/dbraw/zinc/00/25/94/194002594.db2.gz AAUUMHAFSZYNOZ-NMNUPHIUSA-N 0 3 459.615 5.558 50 0 JKAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@]32C)cc1 ZINC000001424718 194118774 /nfs/dbraw/zinc/11/87/74/194118774.db2.gz WMDGHRGBINJDMS-PPJWLVRDSA-N 0 3 462.933 5.098 50 0 JKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1COc1ccccc1C1CCCCC1 ZINC000001789950 194140956 /nfs/dbraw/zinc/14/09/56/194140956.db2.gz FIQQLJZRRJZKJB-SSEXGKCCSA-N 0 3 466.625 7.038 50 0 biogenic,in-vitro JKAAHN Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000002960438 194181397 /nfs/dbraw/zinc/18/13/97/194181397.db2.gz VCWDHAKLIJZTDC-UHFFFAOYSA-N 0 3 474.008 5.476 50 0 JKAAHN O=c1c2sc3ccccc3c2nc(SCc2cccc(Cl)c2)n1CCCN1CCCC1 ZINC000002961998 194182153 /nfs/dbraw/zinc/18/21/53/194182153.db2.gz FSORBHVDYSEPLW-UHFFFAOYSA-N 0 3 470.063 6.043 50 0 JKAAHN O=C(NCCN1CCCC1)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2 ZINC000003054320 194220200 /nfs/dbraw/zinc/22/02/00/194220200.db2.gz KHKPLIQKCIJVCQ-UHFFFAOYSA-N 0 3 492.044 5.477 50 0 JKAAHN Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCCN(C)Cc3ccccc3)C2=O)cc1 ZINC000003046649 194216759 /nfs/dbraw/zinc/21/67/59/194216759.db2.gz SJDOSALRWNJGPG-DIBXZPPDSA-N 0 3 485.653 5.113 50 0 JKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000003204303 194238678 /nfs/dbraw/zinc/23/86/78/194238678.db2.gz IDHSWRAXURQYND-CUBQBAPOSA-N 0 3 451.545 5.797 50 0 JKAAHN CCOC(=O)c1c(NC(=S)Nc2ccccc2Cl)sc2c1CC(C)(C)NC2(C)C ZINC000003291235 194267426 /nfs/dbraw/zinc/26/74/26/194267426.db2.gz SMIPLABGAYSCKQ-UHFFFAOYSA-N 0 3 452.045 5.547 50 0 JKAAHN Cc1csc(N(C(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c2ccccc2)n1 ZINC000003554694 194337228 /nfs/dbraw/zinc/33/72/28/194337228.db2.gz KGFOCZHNOFCQKL-HSZRJFAPSA-N 0 3 467.550 5.024 50 0 JKAAHN COc1ccc(Nc2c3cc(NC(=O)/C=C/c4sccc4C)ccc3nc3c2CCCC3)cc1OC ZINC000003646155 194348562 /nfs/dbraw/zinc/34/85/62/194348562.db2.gz ICKOCZXJBPOJBD-OUKQBFOZSA-N 0 3 499.636 6.896 50 0 JKAAHN CCOC(=O)c1sc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccccc2F)nc1C ZINC000003655744 194352692 /nfs/dbraw/zinc/35/26/92/194352692.db2.gz FPUGCVSZQYTAEQ-HXUWFJFHSA-N 0 3 492.528 5.240 50 0 JKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000009013027 194504661 /nfs/dbraw/zinc/50/46/61/194504661.db2.gz MNMNQILLNNPKTO-OAQYLSRUSA-N 0 3 474.830 5.847 50 0 JKAAHN Cc1cccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3)CC2)c1 ZINC000009151150 194566816 /nfs/dbraw/zinc/56/68/16/194566816.db2.gz TYPSVFCZVBCADJ-UHFFFAOYSA-N 0 3 457.574 5.422 50 0 JKAAHN O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000012649571 195075277 /nfs/dbraw/zinc/07/52/77/195075277.db2.gz QOBQPYNEJDREMX-UHFFFAOYSA-N 0 3 492.517 5.192 50 0 JKAAHN COc1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C(C)C)ccc1OCc1csc(C)n1 ZINC000012691068 195088468 /nfs/dbraw/zinc/08/84/68/195088468.db2.gz JWAHACDTHZEMPQ-RUZDIDTESA-N 0 3 454.592 5.297 50 0 JKAAHN O=C(Nc1ccnn1C1CCN(Cc2ccc([C@@H]3CCCCO3)s2)CC1)c1ccccc1 ZINC000012705409 195092677 /nfs/dbraw/zinc/09/26/77/195092677.db2.gz YVYPEQACUBDWAA-QFIPXVFZSA-N 0 3 450.608 5.276 50 0 JKAAHN COc1ccc(NC(=O)c2ccc(NC(=O)CN[C@H](C)c3ccc4ccccc4c3)cc2)cc1 ZINC000012817329 195147615 /nfs/dbraw/zinc/14/76/15/195147615.db2.gz GVWQKZFVRLDTLT-LJQANCHMSA-N 0 3 453.542 5.390 50 0 JKAAHN CCCCN(C)CCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732199 195210958 /nfs/dbraw/zinc/21/09/58/195210958.db2.gz KCEFHLXIXUPNRJ-XHLNEMQHSA-N 0 3 497.639 5.423 50 0 JKAAHN Cc1cccc(/C=C2/Sc3ccc(C(=O)N4CCN(C5CCCCC5)CC4)cc3N(C)C2=O)c1 ZINC000020734505 195212068 /nfs/dbraw/zinc/21/20/68/195212068.db2.gz UMDKSGMKNSDOAX-NLRVBDNBSA-N 0 3 475.658 5.195 50 0 JKAAHN Cc1ccc(-n2ncc3c2ncnc3N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020662172 195195976 /nfs/dbraw/zinc/19/59/76/195195976.db2.gz NFUXECAJVUIVSY-UHFFFAOYSA-N 0 3 460.585 5.036 50 0 JKAAHN O=C(CCN1CCN(C2c3ccccc3-c3ccccc32)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000020766766 195222145 /nfs/dbraw/zinc/22/21/45/195222145.db2.gz FXNXERVKTGHSOQ-UHFFFAOYSA-N 0 3 465.519 5.422 50 0 JKAAHN CCOc1cc(CN2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)ccc1OC ZINC000020778863 195224165 /nfs/dbraw/zinc/22/41/65/195224165.db2.gz UKJAHWDQKHJYSV-VWLOTQADSA-N 0 3 480.612 5.993 50 0 JKAAHN Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCCN(Cc2coc3ccccc3c2=O)C1 ZINC000020909553 195245985 /nfs/dbraw/zinc/24/59/85/195245985.db2.gz VKWFLGAMXPDERA-QHCPKHFHSA-N 0 3 488.591 6.000 50 0 JKAAHN CCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCc1ccc(C(F)(F)F)cc1F)C3 ZINC000020920566 195247620 /nfs/dbraw/zinc/24/76/20/195247620.db2.gz WAEJKSWQKMLHFI-OAHLLOKOSA-N 0 3 453.505 5.063 50 0 JKAAHN CCCCn1cnc2sc3c(c2c1=O)CC[C@H](NCc1ccc(C(F)(F)F)cc1F)C3 ZINC000020920559 195247706 /nfs/dbraw/zinc/24/77/06/195247706.db2.gz WAEJKSWQKMLHFI-HNNXBMFYSA-N 0 3 453.505 5.063 50 0 JKAAHN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000020988241 195261383 /nfs/dbraw/zinc/26/13/83/195261383.db2.gz BNQLHRFRHZZLIU-UHFFFAOYSA-N 0 3 496.655 5.385 50 0 JKAAHN COc1ccc(F)c(CN2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c1 ZINC000020996918 195264803 /nfs/dbraw/zinc/26/48/03/195264803.db2.gz YWYAWGDLZBVAFA-JOCHJYFZSA-N 0 3 468.576 6.041 50 0 JKAAHN COc1ccc(-c2nc3ccccc3c(NCC3CCN(Cc4cccc(Cl)c4)CC3)n2)cc1 ZINC000021043062 195271045 /nfs/dbraw/zinc/27/10/45/195271045.db2.gz IXARCTAUBFFDJW-UHFFFAOYSA-N 0 3 473.020 6.283 50 0 JKAAHN Cc1ccc(CN2CCC(CNC(=O)c3cc(OCc4ccccc4)nc4ccccc43)CC2)cc1 ZINC000021094441 195275397 /nfs/dbraw/zinc/27/53/97/195275397.db2.gz MRCPVKCUJREMJD-UHFFFAOYSA-N 0 3 479.624 5.764 50 0 JKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCCCc4ccccc4)CC3)cc3ccccc32)cc1 ZINC000021116228 195278539 /nfs/dbraw/zinc/27/85/39/195278539.db2.gz SJWJTSTVEVXLQC-UHFFFAOYSA-N 0 3 479.668 5.959 50 0 JKAAHN CCOc1ccccc1CNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(C)cc2)CC1 ZINC000021116335 195278905 /nfs/dbraw/zinc/27/89/05/195278905.db2.gz ACVWYQNMXIAOBG-UHFFFAOYSA-N 0 3 495.667 5.925 50 0 JKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)cc3ccccc32)cc1 ZINC000021116275 195278913 /nfs/dbraw/zinc/27/89/13/195278913.db2.gz JSSCKHZJDKNNSF-HKBQPEDESA-N 0 3 491.679 6.404 50 0 JKAAHN COc1ccccc1CNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(C)cc2)CC1 ZINC000021116266 195278934 /nfs/dbraw/zinc/27/89/34/195278934.db2.gz NAZHRYBPUNZFNT-UHFFFAOYSA-N 0 3 481.640 5.535 50 0 JKAAHN Cc1cc(N2CCN(C3CCCCC3)CC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021150356 195282429 /nfs/dbraw/zinc/28/24/29/195282429.db2.gz UVWFSBIOESMSLW-UHFFFAOYSA-N 0 3 477.962 5.832 50 0 JKAAHN CC(C)N(CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccccc1 ZINC000021915483 195332004 /nfs/dbraw/zinc/33/20/04/195332004.db2.gz WYKSJZAIWVCAQP-UHFFFAOYSA-N 0 3 484.644 5.164 50 0 JKAAHN Cc1ccc(CN2CC[C@H](CNC(=O)c3c4c(nc5ccccc53)C(=O)N(C3CCCCC3)C4)C2)cc1 ZINC000021915493 195332070 /nfs/dbraw/zinc/33/20/70/195332070.db2.gz RSVDXUBXXIFWEV-HSZRJFAPSA-N 0 3 496.655 5.084 50 0 JKAAHN Clc1ccc(-c2csc3ncnc(NCCCN4CCN(c5ccccc5)CC4)c23)cc1 ZINC000021933190 195335497 /nfs/dbraw/zinc/33/54/97/195335497.db2.gz WLOOYMGZPMKBIO-UHFFFAOYSA-N 0 3 464.038 5.636 50 0 JKAAHN Cc1cccc(N2CCN(CCCNC(=O)c3cc(-c4cccnc4)nc4ccc(C)cc43)C[C@@H]2C)c1 ZINC000021934842 195335797 /nfs/dbraw/zinc/33/57/97/195335797.db2.gz YJDJMRALABLPBK-DEOSSOPVSA-N 0 3 493.655 5.244 50 0 JKAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4cccnc4)nc4ccc(C)cc43)C2)cc1 ZINC000021934846 195336319 /nfs/dbraw/zinc/33/63/19/195336319.db2.gz NMIFKSKAGQEEOI-QHCPKHFHSA-N 0 3 450.586 5.166 50 0 JKAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C=C12 ZINC000059415251 195399423 /nfs/dbraw/zinc/39/94/23/195399423.db2.gz VLZRPLWEPPNQPC-GVSOOPAKSA-N 0 3 462.556 5.142 50 0 biogenic JKAAHN COc1ccc(CCNC(=O)[C@H]2C[C@H](c3ccc(F)c(C)c3)CN(Cc3ccccc3Cl)C2)cc1 ZINC000096247512 130002031 /nfs/dbraw/zinc/00/20/31/130002031.db2.gz AVHQZHQVZOMFAL-DQEYMECFSA-N 0 3 495.038 5.761 50 0 JKAAHN COc1ccc(CCNC(=O)[C@@H]2C[C@H](c3ccc(F)c(C)c3)CN(Cc3ccccc3Cl)C2)cc1 ZINC000096247514 130002479 /nfs/dbraw/zinc/00/24/79/130002479.db2.gz AVHQZHQVZOMFAL-LOSJGSFVSA-N 0 3 495.038 5.761 50 0 JKAAHN COc1ccc([C@@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000096275474 130011753 /nfs/dbraw/zinc/01/17/53/130011753.db2.gz AGUUAIKHLSCGPF-GDLZYMKVSA-N 0 3 495.667 5.741 50 0 JKAAHN CC(C)C[C@@]1(C2CCN(Cc3cc4ccccc4[nH]3)CC2)NC(=O)N(CCc2cccs2)C1=O ZINC000012244517 519287720 /nfs/dbraw/zinc/28/77/20/519287720.db2.gz NXILICFVSBOQGV-MHZLTWQESA-N 0 3 478.662 5.021 50 0 JKAAHN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036306630 519717776 /nfs/dbraw/zinc/71/77/76/519717776.db2.gz YCNZLQDTXWZJBI-QFIPXVFZSA-N 0 3 469.601 5.262 50 0 JKAAHN CC(C)CN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccc(F)c1 ZINC000036203065 519718248 /nfs/dbraw/zinc/71/82/48/519718248.db2.gz WLBFNSAIXVJSOE-UHFFFAOYSA-N 0 3 479.542 6.639 50 0 JKAAHN CC(C)COC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305219 519755987 /nfs/dbraw/zinc/75/59/87/519755987.db2.gz WGQFYZYJBSUQGI-DEOSSOPVSA-N 0 3 498.067 5.778 50 0 JKAAHN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036307567 519757376 /nfs/dbraw/zinc/75/73/76/519757376.db2.gz PMFUNXPCHRJACX-HSZRJFAPSA-N 0 3 469.601 5.262 50 0 JKAAHN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305215 519757736 /nfs/dbraw/zinc/75/77/36/519757736.db2.gz WGQFYZYJBSUQGI-XMMPIXPASA-N 0 3 498.067 5.778 50 0 JKAAHN CC(C)OC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(C)C ZINC000036306773 519773905 /nfs/dbraw/zinc/77/39/05/519773905.db2.gz UGAMHCAVZQSIQY-OAQYLSRUSA-N 0 3 455.574 5.015 50 0 JKAAHN CCCN1CCC(N(C(=O)c2ccccc2Cl)c2ccc3[nH]c(C(C)(C)C)cc3c2)CC1 ZINC000016080052 519843199 /nfs/dbraw/zinc/84/31/99/519843199.db2.gz NGRYKSMQZVNODM-UHFFFAOYSA-N 0 3 452.042 6.640 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305069 520095433 /nfs/dbraw/zinc/09/54/33/520095433.db2.gz OXDQOFUIEBSBMZ-NRFANRHFSA-N 0 3 470.013 5.142 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036303996 520155018 /nfs/dbraw/zinc/15/50/18/520155018.db2.gz ZWDLSGGYLUFVHU-JOCHJYFZSA-N 0 3 473.564 5.107 50 0 JKAAHN CCCCN(Cc1ccccc1)Cc1ccc(C(=O)NCc2cc3ccccc3s2)c(=O)[nH]1 ZINC000014992668 520544134 /nfs/dbraw/zinc/54/41/34/520544134.db2.gz DIIJJTOOJOJCBF-UHFFFAOYSA-N 0 3 459.615 5.322 50 0 JKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 ZINC000008604436 520691927 /nfs/dbraw/zinc/69/19/27/520691927.db2.gz MKVVCCLWFPHCKS-UHFFFAOYSA-N 0 3 450.560 5.058 50 0 JKAAHN CCOc1cc(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)ccc1OC ZINC000014882561 520697881 /nfs/dbraw/zinc/69/78/81/520697881.db2.gz KXJXKIHFSKCGCC-RUZDIDTESA-N 0 3 492.685 5.751 50 0 JKAAHN CCN(CC)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(F)c1 ZINC000014959196 520741653 /nfs/dbraw/zinc/74/16/53/520741653.db2.gz YQMSUPSWPVWEAR-UHFFFAOYSA-N 0 3 450.510 5.081 50 0 JKAAHN CC1=Nc2cc(C(F)(F)F)ccc2N(CCNc2ncc(C(F)(F)F)cc2Cl)C(C)=C1 ZINC000020405671 520900915 /nfs/dbraw/zinc/90/09/15/520900915.db2.gz VLIFPNSLOWJXJG-UHFFFAOYSA-N 0 3 462.825 6.701 50 0 JKAAHN CCN(CC)c1onc(-c2ccccc2)c1CN(CC(C)C)C[C@H](O)COc1ccccc1 ZINC000036208285 520935414 /nfs/dbraw/zinc/93/54/14/520935414.db2.gz FJEGIAMUGDLRHG-QHCPKHFHSA-N 0 3 451.611 5.086 50 0 JKAAHN CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC(C)C ZINC000036304299 521182668 /nfs/dbraw/zinc/18/26/68/521182668.db2.gz MNZDNPVWWDDBLM-QHCPKHFHSA-N 0 3 451.611 5.601 50 0 JKAAHN CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C ZINC000036305685 521182889 /nfs/dbraw/zinc/18/28/89/521182889.db2.gz UIMSMSAPPFZVCZ-QFIPXVFZSA-N 0 3 451.611 5.507 50 0 JKAAHN CCOc1ccccc1CNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000008602090 521486817 /nfs/dbraw/zinc/48/68/17/521486817.db2.gz GIHDEFNYYDGSSV-UHFFFAOYSA-N 0 3 481.640 5.617 50 0 JKAAHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014537111 521527242 /nfs/dbraw/zinc/52/72/42/521527242.db2.gz FSUIZXKBUWAKIH-UHFFFAOYSA-N 0 3 495.623 5.085 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000036307684 521678171 /nfs/dbraw/zinc/67/81/71/521678171.db2.gz YTDUHWAONNNPBE-HSZRJFAPSA-N 0 3 469.601 5.264 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036307647 521678235 /nfs/dbraw/zinc/67/82/35/521678235.db2.gz PVQUFTLMKFQEJI-QFIPXVFZSA-N 0 3 455.574 5.016 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036306252 521678272 /nfs/dbraw/zinc/67/82/72/521678272.db2.gz YHAWXDITNBQYEA-VWLOTQADSA-N 0 3 485.628 5.704 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)Cc1ccccc1 ZINC000036306249 521678492 /nfs/dbraw/zinc/67/84/92/521678492.db2.gz YHAWXDITNBQYEA-RUZDIDTESA-N 0 3 485.628 5.704 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036307720 521678543 /nfs/dbraw/zinc/67/85/43/521678543.db2.gz ZJLZTQFRNKPITK-JOCHJYFZSA-N 0 3 469.601 5.407 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000036305887 521678550 /nfs/dbraw/zinc/67/85/50/521678550.db2.gz QMVSHUWDYKRBQD-RUZDIDTESA-N 0 3 485.628 5.704 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000036307179 521678704 /nfs/dbraw/zinc/67/87/04/521678704.db2.gz PXUGGUPJSKHIQD-VWLOTQADSA-N 0 3 473.592 5.834 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)C ZINC000036306475 521678813 /nfs/dbraw/zinc/67/88/13/521678813.db2.gz MAZYRNMWSMEGMJ-HSZRJFAPSA-N 0 3 451.611 5.186 50 0 JKAAHN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000036308521 521680114 /nfs/dbraw/zinc/68/01/14/521680114.db2.gz JVWUKNGJNCOHOH-AREMUKBSSA-N 0 3 455.602 5.789 50 0 JKAAHN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)C(C)C ZINC000036302811 521680615 /nfs/dbraw/zinc/68/06/15/521680615.db2.gz ZPBJGYJDNDEAGK-DEOSSOPVSA-N 0 3 451.611 5.465 50 0 JKAAHN CCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(C)cc1 ZINC000036202864 521683015 /nfs/dbraw/zinc/68/30/15/521683015.db2.gz ZYQWCSZAEBMTED-UHFFFAOYSA-N 0 3 461.552 6.563 50 0 JKAAHN COC(=O)c1c(NCC2CCN(Cc3ccc(F)cc3)CC2)onc1-c1ccc(Cl)cc1 ZINC000046914218 521775910 /nfs/dbraw/zinc/77/59/10/521775910.db2.gz SNGMLQTYPBUHSS-UHFFFAOYSA-N 0 3 457.933 5.245 50 0 JKAAHN COC(=O)c1ccc(CN2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)cc1 ZINC000012280250 522005608 /nfs/dbraw/zinc/00/56/08/522005608.db2.gz JFBYDFIHHIYUBX-VWLOTQADSA-N 0 3 495.019 5.315 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COCC(C)C ZINC000036305789 522096435 /nfs/dbraw/zinc/09/64/35/522096435.db2.gz JGTMGNIYZMOICN-VWNXMTODSA-N 0 3 495.664 5.522 50 0 JKAAHN COc1cc(CN(Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)CC(C)C)cc(OC)c1 ZINC000036203666 522360095 /nfs/dbraw/zinc/36/00/95/522360095.db2.gz CIWVOORBHFQPNM-UHFFFAOYSA-N 0 3 485.624 6.239 50 0 JKAAHN COc1cc(CN2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000012285418 522365609 /nfs/dbraw/zinc/36/56/09/522365609.db2.gz BJLFCJKYDQUMMQ-JOCHJYFZSA-N 0 3 458.602 5.364 50 0 JKAAHN COc1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)ccc1O ZINC000012313750 522365904 /nfs/dbraw/zinc/36/59/04/522365904.db2.gz SGPPWVBZBDNGBZ-UHFFFAOYSA-N 0 3 450.966 5.572 50 0 JKAAHN COc1cc(CN2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)cc(OC)c1 ZINC000012512689 522368182 /nfs/dbraw/zinc/36/81/82/522368182.db2.gz SOPYRRBHGDQKDU-MHZLTWQESA-N 0 3 496.648 5.500 50 0 JKAAHN COc1cc(CN2CCC3(C[C@@H]3C(=O)NCCCc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000012245741 522372948 /nfs/dbraw/zinc/37/29/48/522372948.db2.gz MREFPRCLKAFBRF-MUUNZHRXSA-N 0 3 498.667 5.625 50 0 JKAAHN COc1cc(CN2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000014970519 522377608 /nfs/dbraw/zinc/37/76/08/522377608.db2.gz MUCKOTAUENKVRA-SFHVURJKSA-N 0 3 464.528 5.145 50 0 JKAAHN COC(=O)c1sc2nc(CN3CCCCCC3)ccc2c1NC(=O)c1c(F)cccc1Cl ZINC000012243857 522436566 /nfs/dbraw/zinc/43/65/66/522436566.db2.gz SLLJEPSQOYZOLM-UHFFFAOYSA-N 0 3 475.973 5.504 50 0 JKAAHN CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1CN(C[C@H](O)C(C)C)CC1CC1 ZINC000036302626 522640597 /nfs/dbraw/zinc/64/05/97/522640597.db2.gz DKTMPLZKEFXCRI-MHZLTWQESA-N 0 3 463.622 5.465 50 0 JKAAHN CN(CCCNC(=O)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1)Cc1ccccc1 ZINC000033257955 522768629 /nfs/dbraw/zinc/76/86/29/522768629.db2.gz UYIVWBKKCIBNRL-UHFFFAOYSA-N 0 3 469.564 5.278 50 0 JKAAHN CCn1c(C(=O)NCCN2CCCC[C@H]2C)cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000033277407 523116878 /nfs/dbraw/zinc/11/68/78/523116878.db2.gz VAHMZUSJBHZTMS-LJQANCHMSA-N 0 3 461.635 5.180 50 0 JKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000012455156 523187741 /nfs/dbraw/zinc/18/77/41/523187741.db2.gz GSCKOOPDHFXFOA-UHFFFAOYSA-N 0 3 476.686 6.483 50 0 JKAAHN CN(Cc1ccc(OC2CCN(C(=O)c3ccoc3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000012219303 523271912 /nfs/dbraw/zinc/27/19/12/523271912.db2.gz JOFKHSMYVHKSBZ-UHFFFAOYSA-N 0 3 455.558 5.143 50 0 JKAAHN CN(Cc1ccco1)C(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055568 523424087 /nfs/dbraw/zinc/42/40/87/523424087.db2.gz CWJYJYJOHHFYSV-UHFFFAOYSA-N 0 3 476.020 5.807 50 0 JKAAHN COC(=O)C(C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1nc(C)cs1 ZINC000048303242 523477768 /nfs/dbraw/zinc/47/77/68/523477768.db2.gz WKLPQRWOYKJRSI-KRWDZBQOSA-N 0 3 463.342 5.150 50 0 JKAAHN CN(Cc1cscn1)C(=O)c1cc2cc(C3(O)CCN(C/C=C/c4ccccc4)CC3)ccc2o1 ZINC000014989839 523538095 /nfs/dbraw/zinc/53/80/95/523538095.db2.gz TYMGYIOTJQGSDE-VMPITWQZSA-N 0 3 487.625 5.158 50 0 JKAAHN COc1ccc(C(=O)NC[C@H](C)Oc2ccc(CN3CCC(c4ccccc4)CC3)cc2)cc1 ZINC000012244414 523708394 /nfs/dbraw/zinc/70/83/94/523708394.db2.gz AEPIYIWIORWVCZ-QFIPXVFZSA-N 0 3 458.602 5.272 50 0 JKAAHN CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1ccccc1C(F)(F)F)CC2 ZINC000014755410 523718116 /nfs/dbraw/zinc/71/81/16/523718116.db2.gz CNGZHGKEEDPKTR-UHFFFAOYSA-N 0 3 481.518 5.287 50 0 JKAAHN CN1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2cccs2)C3)C1 ZINC000014879108 523815382 /nfs/dbraw/zinc/81/53/82/523815382.db2.gz PHTOEQYWLLEECW-LJQANCHMSA-N 0 3 497.060 5.824 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C ZINC000036306167 523940544 /nfs/dbraw/zinc/94/05/44/523940544.db2.gz AAEIISIJRWFLFD-GMAHTHKFSA-N 0 3 495.664 5.665 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036308407 523940655 /nfs/dbraw/zinc/94/06/55/523940655.db2.gz ABALIXCKRIRJDL-URXFXBBRSA-N 0 3 465.638 5.750 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036304463 523940761 /nfs/dbraw/zinc/94/07/61/523940761.db2.gz UXQBMNRUWIGLFA-URXFXBBRSA-N 0 3 481.637 5.368 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036306157 523940968 /nfs/dbraw/zinc/94/09/68/523940968.db2.gz BXADOLCVXISLDC-UPVQGACJSA-N 0 3 495.664 5.522 50 0 JKAAHN CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1F)C1CCN(Cc2ccc3cccnc3c2)CC1 ZINC000012242787 523951506 /nfs/dbraw/zinc/95/15/06/523951506.db2.gz DDQCYCNJLXNUSR-MHZLTWQESA-N 0 3 487.644 6.031 50 0 JKAAHN CN(C(=O)c1cccs1)[C@H](Cc1ccccc1F)C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000014965085 523951901 /nfs/dbraw/zinc/95/19/01/523951901.db2.gz DBGMFLFAVWZPFH-HSZRJFAPSA-N 0 3 480.605 5.211 50 0 JKAAHN CN(C(=O)c1ccsc1)[C@H](Cc1ccccc1F)C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000014966910 523956753 /nfs/dbraw/zinc/95/67/53/523956753.db2.gz WFINYORBWDCFNC-XMMPIXPASA-N 0 3 480.605 5.211 50 0 JKAAHN COc1ccc(CN2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)cc1OC ZINC000014988218 524024010 /nfs/dbraw/zinc/02/40/10/524024010.db2.gz IEVZLXNEKJVEMI-XMMPIXPASA-N 0 3 497.035 5.546 50 0 JKAAHN COc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000046055936 524045956 /nfs/dbraw/zinc/04/59/56/524045956.db2.gz HLRGTPKZPPUANZ-UHFFFAOYSA-N 0 3 485.603 5.366 50 0 JKAAHN Cc1ccc(C)c(NC(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c1 ZINC000046056011 524131257 /nfs/dbraw/zinc/13/12/57/524131257.db2.gz FHLKZKMZPIPVMZ-UHFFFAOYSA-N 0 3 469.604 6.296 50 0 JKAAHN Cc1cccc(C)c1NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046055992 524268192 /nfs/dbraw/zinc/26/81/92/524268192.db2.gz HKXBLCQZXPYIOL-UHFFFAOYSA-N 0 3 469.604 6.296 50 0 JKAAHN Cc1ccc(CN2CCC(CNC(=O)c3cc(-c4ccccn4)nc4ccccc43)CC2)cc1 ZINC000033267187 524438280 /nfs/dbraw/zinc/43/82/80/524438280.db2.gz OHFSHCIUZYHZPM-UHFFFAOYSA-N 0 3 450.586 5.247 50 0 JKAAHN Cc1ccc(CN2CCC(O)(c3ccc4oc(C(=O)NCCc5ccc(F)cc5)cc4c3)CC2)cc1 ZINC000012278373 524439381 /nfs/dbraw/zinc/43/93/81/524439381.db2.gz VXMXZRBQMVTKBH-UHFFFAOYSA-N 0 3 486.587 5.336 50 0 JKAAHN Cc1ccc(CN2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)cc1 ZINC000014882495 524444519 /nfs/dbraw/zinc/44/45/19/524444519.db2.gz LBARFDKWJVDSLG-RUZDIDTESA-N 0 3 462.663 5.286 50 0 JKAAHN COc1ccccc1CN1CCC(c2nnc(SCC3CCCCC3)n2C[C@@H]2CCCO2)CC1 ZINC000012200691 524449033 /nfs/dbraw/zinc/44/90/33/524449033.db2.gz XNTUQQLBTDLLKL-DEOSSOPVSA-N 0 3 484.710 5.518 50 0 JKAAHN COc1ccccc1CNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(C)c2)CC1 ZINC000008606961 524460017 /nfs/dbraw/zinc/46/00/17/524460017.db2.gz PKQADMUBWBEHGD-UHFFFAOYSA-N 0 3 481.640 5.535 50 0 JKAAHN Cc1cccc(Cn2c(CN3CCC(C(=O)NCc4ccccc4C)CC3)cc3ccccc32)c1 ZINC000046055916 524491160 /nfs/dbraw/zinc/49/11/60/524491160.db2.gz FGLZSUOUYVOJKF-UHFFFAOYSA-N 0 3 465.641 5.835 50 0 JKAAHN Cc1cccc(Cn2c(CN3CCC(C(=O)NC[C@@H](C)c4ccccc4)CC3)cc3ccccc32)c1 ZINC000046055893 524491782 /nfs/dbraw/zinc/49/17/82/524491782.db2.gz DOUZGAQQMQGPOG-RUZDIDTESA-N 0 3 479.668 6.130 50 0 JKAAHN Cc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000046055938 524495138 /nfs/dbraw/zinc/49/51/38/524495138.db2.gz KVEUFGMCASGXBK-UHFFFAOYSA-N 0 3 469.604 5.666 50 0 JKAAHN Cc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000046055438 524495337 /nfs/dbraw/zinc/49/53/37/524495337.db2.gz XRYKEFFBUHXVCP-UHFFFAOYSA-N 0 3 451.614 5.526 50 0 JKAAHN Cc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)cc1 ZINC000046055699 524496133 /nfs/dbraw/zinc/49/61/33/524496133.db2.gz JNDAUOYSLWCBBZ-UHFFFAOYSA-N 0 3 486.059 6.180 50 0 JKAAHN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046056061 524529190 /nfs/dbraw/zinc/52/91/90/524529190.db2.gz OPFGGRQTNVCREC-DEOSSOPVSA-N 0 3 497.658 6.178 50 0 JKAAHN Cc1cccc(N2CCN(CCCNc3ncnc4onc(-c5ccc(Cl)cc5)c43)C[C@@H]2C)c1 ZINC000008595464 524555406 /nfs/dbraw/zinc/55/54/06/524555406.db2.gz XSEHDBZUHIAJIP-IBGZPJMESA-N 0 3 477.012 5.259 50 0 JKAAHN Cc1cccc(NC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)c1C ZINC000046055691 524582022 /nfs/dbraw/zinc/58/20/22/524582022.db2.gz GUEGVRSHALFIEE-UHFFFAOYSA-N 0 3 486.059 6.811 50 0 JKAAHN COc1ccccc1NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055655 524588668 /nfs/dbraw/zinc/58/86/68/524588668.db2.gz FPSRHRCLKIHVNX-UHFFFAOYSA-N 0 3 488.031 6.202 50 0 JKAAHN COc1ccccc1Oc1c(CN(CC(C)C)C[C@@H](O)COC(C)(C)C)c(-c2ccccc2)nn1C ZINC000036305706 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ZINC000096247535 537037874 /nfs/dbraw/zinc/03/78/74/537037874.db2.gz OSKHREIGMMQWBW-LOSJGSFVSA-N 0 3 495.038 5.761 50 0 JKAAHN Cc1c(C(=O)Nc2ccc(CN3CCCCC3)cc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000000653592 553734195 /nfs/dbraw/zinc/73/41/95/553734195.db2.gz PJFIJMVFVUTOTO-UHFFFAOYSA-N 0 3 450.586 6.086 50 0 JKAAHN Cc1cc(Oc2coc3cc(OC[C@@H](O)CN4CCCCCC4)ccc3c2=O)cc(C)c1Cl ZINC000001522261 553978006 /nfs/dbraw/zinc/97/80/06/553978006.db2.gz NRQFJANRLICWQL-IBGZPJMESA-N 0 3 471.981 5.471 50 0 JKAAHN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)N2CCC(Cc3ccccc3)CC2)c1C ZINC000001796977 553991098 /nfs/dbraw/zinc/99/10/98/553991098.db2.gz JBVPXFKEWCMITN-MUUNZHRXSA-N 0 3 484.665 7.254 50 0 JKAAHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)N2CCC(Cc3ccccc3)CC2)c1C ZINC000001796980 553991148 /nfs/dbraw/zinc/99/11/48/553991148.db2.gz JBVPXFKEWCMITN-NDEPHWFRSA-N 0 3 484.665 7.254 50 0 JKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000002109398 554048991 /nfs/dbraw/zinc/04/89/91/554048991.db2.gz FAHCSUHPPAUHAJ-HZAQMHFWSA-N 0 3 497.639 5.548 50 0 JKAAHN Cc1ccc(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc3c4ccccc4[nH]c32)cc1 ZINC000002130457 554060353 /nfs/dbraw/zinc/06/03/53/554060353.db2.gz HMEOCKCLFCRALX-UHFFFAOYSA-N 0 3 474.608 6.086 50 0 biogenic JKAAHN COc1ccc(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc3c4ccccc4[nH]c32)cc1 ZINC000002138484 554063222 /nfs/dbraw/zinc/06/32/22/554063222.db2.gz YQSUORQBPACQSV-UHFFFAOYSA-N 0 3 490.607 5.786 50 0 biogenic JKAAHN COc1ccc2nc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000002210794 554095006 /nfs/dbraw/zinc/09/50/06/554095006.db2.gz VTHFBMUWKNOQIH-JOCHJYFZSA-N 0 3 472.497 5.609 50 0 JKAAHN CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000002214600 554097357 /nfs/dbraw/zinc/09/73/57/554097357.db2.gz KRALILBIWWDGRW-QHCPKHFHSA-N 0 3 470.525 6.415 50 0 JKAAHN O=C1c2oc3ccccc3c(=O)c2C(c2ccccc2F)N1c1nc2ccc(Cl)cc2s1 ZINC000002221559 554101346 /nfs/dbraw/zinc/10/13/46/554101346.db2.gz LFAPAGMIMMQXFI-HXUWFJFHSA-N 0 3 462.889 5.945 50 0 JKAAHN COc1ccc(/C=C2\c3ccccc3-c3ccc(C(=O)CCCCN4CCCCC4)cc32)cc1OC ZINC000002227491 554104126 /nfs/dbraw/zinc/10/41/26/554104126.db2.gz ZGWIGGITTAKIII-VFCFBJKWSA-N 0 3 481.636 7.112 50 0 JKAAHN CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccs3)sc2c1 ZINC000002360794 554165605 /nfs/dbraw/zinc/16/56/05/554165605.db2.gz TZKJMZZHNQBYBE-NRFANRHFSA-N 0 3 458.564 6.337 50 0 JKAAHN COc1ccc([C@H]2NC[C@H](c3ccccc3)c3c4ccccc4[nH]c32)cc1OCc1ccccc1 ZINC000002624968 554248732 /nfs/dbraw/zinc/24/87/32/554248732.db2.gz KWRPUAOQVCRDMV-FYBSXPHGSA-N 0 3 460.577 6.580 50 0 JKAAHN CCc1cccc(CC)c1-n1c(SCCNCCO)nnc1-c1ccc(Cl)cc1Cl ZINC000002638945 554258890 /nfs/dbraw/zinc/25/88/90/554258890.db2.gz VSFXQBGEUKIPJC-UHFFFAOYSA-N 0 3 465.450 5.040 50 0 JKAAHN COc1ccc(OC)c(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)c1 ZINC000002774103 554338495 /nfs/dbraw/zinc/33/84/95/554338495.db2.gz IRFBAJIFLNEZRY-UHFFFAOYSA-N 0 3 481.596 5.313 50 0 JKAAHN CCn1c2ccccc2c2cc(CN3CCC(N4CCN(c5ccccc5OC)CC4)CC3)ccc21 ZINC000002784753 554343558 /nfs/dbraw/zinc/34/35/58/554343558.db2.gz USXGAOAOPOKNPA-UHFFFAOYSA-N 0 3 482.672 5.610 50 0 JKAAHN CCN(CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000002890380 554409028 /nfs/dbraw/zinc/40/90/28/554409028.db2.gz HUMYQGFWOOGUJS-HXUWFJFHSA-N 0 3 489.797 5.096 50 0 JKAAHN CC(C)(C)c1cc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc(C(C)(C)C)c1O ZINC000002893998 554409321 /nfs/dbraw/zinc/40/93/21/554409321.db2.gz HELGZVUPGSJPHA-UHFFFAOYSA-N 0 3 474.483 6.233 50 0 JKAAHN O=C(CC(C(=O)c1ccccc1)c1nc2ccccc2s1)Nc1ccc(Cl)c(Cl)c1 ZINC000003311776 554449066 /nfs/dbraw/zinc/44/90/66/554449066.db2.gz HTSJMYAEMNEHSF-MRXNPFEDSA-N 0 3 455.366 6.598 50 0 JKAAHN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000003366045 554459145 /nfs/dbraw/zinc/45/91/45/554459145.db2.gz QZPWABMRSBGAIG-WUKNDPDISA-N 0 3 476.624 5.642 50 0 JKAAHN CCOc1ccc(C(=O)[C@@H](CCCC[C@@H](CN(C)C)C(=O)c2ccc(OCC)cc2)CN(C)C)cc1 ZINC000006600741 554555490 /nfs/dbraw/zinc/55/54/90/554555490.db2.gz CCXYPPLSKXZJFH-UIOOFZCWSA-N 0 3 496.692 5.466 50 0 JKAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N[C@H](C)C56CC7CC(CC(C7)C5)C6)C4=O)cc3)sc2c1 ZINC000008414526 554578284 /nfs/dbraw/zinc/57/82/84/554578284.db2.gz IJJLZLDFCWWORM-AAMOTOCMSA-N 0 3 499.680 6.098 50 0 JKAAHN CCCOc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000008444660 554594262 /nfs/dbraw/zinc/59/42/62/554594262.db2.gz CFCUIOMYCXVCLN-UHFFFAOYSA-N 0 3 479.624 6.085 50 0 JKAAHN CCOc1ccc(-c2cc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000008813047 554695134 /nfs/dbraw/zinc/69/51/34/554695134.db2.gz VOUIMFGVVIGUFN-UHFFFAOYSA-N 0 3 493.651 5.985 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000008817551 554700441 /nfs/dbraw/zinc/70/04/41/554700441.db2.gz DZZXFSLRKYTBEG-JOCHJYFZSA-N 0 3 470.411 5.203 50 0 JKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000008856547 554752437 /nfs/dbraw/zinc/75/24/37/554752437.db2.gz VIXAARUGCWVACW-DHLKQENFSA-N 0 3 468.626 5.261 50 0 JKAAHN Cc1cc(C)cc(NC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1 ZINC000008911559 554800521 /nfs/dbraw/zinc/80/05/21/554800521.db2.gz OXGOTAPNNCLSOW-UHFFFAOYSA-N 0 3 453.590 5.131 50 0 JKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(C)c2)cc1 ZINC000008911786 554800970 /nfs/dbraw/zinc/80/09/70/554800970.db2.gz IKYPQQYIGWTZIH-VWLOTQADSA-N 0 3 499.684 5.294 50 0 JKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(C)c2)cc1 ZINC000008911785 554800981 /nfs/dbraw/zinc/80/09/81/554800981.db2.gz IKYPQQYIGWTZIH-RUZDIDTESA-N 0 3 499.684 5.294 50 0 JKAAHN Cc1ccccc1CSc1nc2ccncc2n1Cc1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000008911972 554801417 /nfs/dbraw/zinc/80/14/17/554801417.db2.gz RNZRANATYNWGRN-UHFFFAOYSA-N 0 3 499.684 5.296 50 0 JKAAHN Cc1cccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)NCCN3CCCCC3)cc2)c1 ZINC000008911961 554801436 /nfs/dbraw/zinc/80/14/36/554801436.db2.gz ZBNDCCJTCKHBSE-UHFFFAOYSA-N 0 3 499.684 5.296 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2c3ccccc3[nH]c2c(-c2cccc(Cl)c2)n1 ZINC000008918516 554815055 /nfs/dbraw/zinc/81/50/55/554815055.db2.gz NQWUSEVHXKLKSY-UHFFFAOYSA-N 0 3 495.026 6.431 50 0 biogenic JKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000009013025 554864838 /nfs/dbraw/zinc/86/48/38/554864838.db2.gz MNMNQILLNNPKTO-NRFANRHFSA-N 0 3 474.830 5.847 50 0 JKAAHN Cc1ccc(CN(C(=O)Nc2ccc(C)c(Cl)c2)C2CCN(Cc3ccccc3)CC2)o1 ZINC000009151163 554937343 /nfs/dbraw/zinc/93/73/43/554937343.db2.gz RPYLIFLJDVSNTG-UHFFFAOYSA-N 0 3 451.998 6.249 50 0 JKAAHN CCc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2)CC1 ZINC000009151151 554937362 /nfs/dbraw/zinc/93/73/62/554937362.db2.gz XIVKTTWETSOOBQ-UHFFFAOYSA-N 0 3 471.601 5.676 50 0 JKAAHN COc1ccc(NC(=O)N(Cc2ccc(C)o2)C2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000009151169 554937434 /nfs/dbraw/zinc/93/74/34/554937434.db2.gz MXRQRGXIEQVHGU-UHFFFAOYSA-N 0 3 463.578 5.304 50 0 JKAAHN O=C(NCCCN1CCc2ccccc2C1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000009152939 554941725 /nfs/dbraw/zinc/94/17/25/554941725.db2.gz MEDGILIJWCPCID-UHFFFAOYSA-N 0 3 463.025 5.108 50 0 JKAAHN CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccn3)sc2c1 ZINC000009187170 554959575 /nfs/dbraw/zinc/95/95/75/554959575.db2.gz VCOWWZCOSIQFRK-QFIPXVFZSA-N 0 3 453.523 5.671 50 0 JKAAHN CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccn3)sc2c1 ZINC000009187846 554960481 /nfs/dbraw/zinc/96/04/81/554960481.db2.gz VCOWWZCOSIQFRK-JOCHJYFZSA-N 0 3 453.523 5.671 50 0 JKAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccco5)nc4c32)cc1 ZINC000009209482 554978570 /nfs/dbraw/zinc/97/85/70/554978570.db2.gz FWBOKALGIQGFBB-JOCHJYFZSA-N 0 3 476.496 5.173 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000009209994 554979359 /nfs/dbraw/zinc/97/93/59/554979359.db2.gz LQZRBGXDTNKSHL-DNVJHFABSA-N 0 3 490.346 5.593 50 0 JKAAHN Cc1oc(-c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)nc1COc1ccc(C)cc1 ZINC000009211885 554981792 /nfs/dbraw/zinc/98/17/92/554981792.db2.gz KNWYGRSWMCQENY-UHFFFAOYSA-N 0 3 473.617 5.628 50 0 JKAAHN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc12 ZINC000009229083 555003250 /nfs/dbraw/zinc/00/32/50/555003250.db2.gz ZGEZYIXAVCBCIX-UHFFFAOYSA-N 0 3 469.604 5.840 50 0 JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000009235545 555009597 /nfs/dbraw/zinc/00/95/97/555009597.db2.gz VJCOJKUPZDCPIP-GFQWBHFJSA-N 0 3 482.967 5.292 50 0 JKAAHN CN(CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1)Cc1ccccc1 ZINC000009288136 555061760 /nfs/dbraw/zinc/06/17/60/555061760.db2.gz CNJFIVFASYYKOT-UHFFFAOYSA-N 0 3 464.034 6.224 50 0 JKAAHN COc1ccc2c(c1)[nH]c(C(=O)NCCCN(C)Cc1ccccc1)c2Sc1ccccc1 ZINC000009288368 555062122 /nfs/dbraw/zinc/06/21/22/555062122.db2.gz BJVMDSAIGZVVFP-UHFFFAOYSA-N 0 3 459.615 5.580 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009301987 555075043 /nfs/dbraw/zinc/07/50/43/555075043.db2.gz SDRHFZWQSGSKDH-LJQANCHMSA-N 0 3 478.337 5.016 50 0 JKAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000009307257 555079977 /nfs/dbraw/zinc/07/99/77/555079977.db2.gz PMBJJOCTHSXIQN-HXUWFJFHSA-N 0 3 460.803 5.458 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccc4ccccc43)=NN12 ZINC000009310909 555086926 /nfs/dbraw/zinc/08/69/26/555086926.db2.gz LWRNEFVZZGSMQO-HSZRJFAPSA-N 0 3 462.391 5.568 50 0 JKAAHN Cc1ccc(-c2cn3c4ccc(C(=O)N5CCN(C6CCCCC6)CC5)cc4sc3n2)cc1 ZINC000009406330 555166594 /nfs/dbraw/zinc/16/65/94/555166594.db2.gz GJUWIHZFHTVOJS-UHFFFAOYSA-N 0 3 458.631 5.615 50 0 JKAAHN CCc1ccc(-c2cn3c4ccc(C(=O)NC5CCN(Cc6ccccc6)CC5)cc4sc3n2)cc1 ZINC000009406473 555166981 /nfs/dbraw/zinc/16/69/81/555166981.db2.gz TZUJZETWWUJSNM-UHFFFAOYSA-N 0 3 494.664 6.173 50 0 JKAAHN CCOc1ccc(-c2cn3c4ccc(C(=O)N5CCN(C6CCCCC6)CC5)cc4sc3n2)cc1 ZINC000009406603 555167162 /nfs/dbraw/zinc/16/71/62/555167162.db2.gz PEIKRYISVDDYFU-UHFFFAOYSA-N 0 3 488.657 5.705 50 0 JKAAHN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)CNCc3ccc(C)cc3)cc21 ZINC000009408661 555171600 /nfs/dbraw/zinc/17/16/00/555171600.db2.gz XMYVSNWPKPMXMN-RUZDIDTESA-N 0 3 456.586 5.288 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000009424120 555188620 /nfs/dbraw/zinc/18/86/20/555188620.db2.gz DXAKBAZQJKEEPE-NJDAHSKKSA-N 0 3 483.749 5.154 50 0 JKAAHN Brc1cccc(-c2nnc3sc(CN4CCC(Cc5ccccc5)CC4)cn32)c1 ZINC000009427693 555193076 /nfs/dbraw/zinc/19/30/76/555193076.db2.gz ZYZKFOZMKZBBAN-UHFFFAOYSA-N 0 3 467.436 5.675 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3OC)=NN12 ZINC000009452387 555224406 /nfs/dbraw/zinc/22/44/06/555224406.db2.gz GMMAWGWVQDMRHL-OAQYLSRUSA-N 0 3 470.411 5.203 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3OC)=NN12 ZINC000009452380 555224431 /nfs/dbraw/zinc/22/44/31/555224431.db2.gz GMMAWGWVQDMRHL-NRFANRHFSA-N 0 3 470.411 5.203 50 0 JKAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009461610 555229477 /nfs/dbraw/zinc/22/94/77/555229477.db2.gz XPNJTYFFDOGIAX-FQEVSTJZSA-N 0 3 495.248 6.111 50 0 JKAAHN CCOc1cc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCCOc1ccc(F)cc1 ZINC000009468300 555247728 /nfs/dbraw/zinc/24/77/28/555247728.db2.gz IFQNEDRGEKAJOM-OAQYLSRUSA-N 0 3 475.564 5.719 50 0 JKAAHN COc1ccc(-c2csc3ncnc(NCC4CCN(Cc5cccc(Cl)c5)CC4)c23)cc1 ZINC000009527759 555320800 /nfs/dbraw/zinc/32/08/00/555320800.db2.gz LQXMXZVZUFAOOA-UHFFFAOYSA-N 0 3 479.049 6.344 50 0 JKAAHN COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC(C)(C)NC2(C)C ZINC000009639773 555349003 /nfs/dbraw/zinc/34/90/03/555349003.db2.gz QDVBQPVYEFSEOY-UHFFFAOYSA-N 0 3 463.024 5.815 50 0 JKAAHN COC(=O)c1c2c(sc1NC(=O)c1cc3ccccc3cc1OC)C(C)(C)NC(C)(C)C2 ZINC000009639753 555349085 /nfs/dbraw/zinc/34/90/85/555349085.db2.gz LFFMUGRWTKPJEM-UHFFFAOYSA-N 0 3 452.576 5.108 50 0 JKAAHN CCOC(=O)c1c2c(sc1NC(=O)c1cccc(C(F)(F)F)c1)C(C)(C)NC(C)(C)C2 ZINC000009639847 555349407 /nfs/dbraw/zinc/34/94/07/555349407.db2.gz HPTDVMPQEULSCO-UHFFFAOYSA-N 0 3 454.514 5.355 50 0 JKAAHN CCOC(=O)c1c2c(sc1NC(=O)c1cc(Cl)sc1Cl)C(C)(C)NC(C)(C)C2 ZINC000009639916 555349414 /nfs/dbraw/zinc/34/94/14/555349414.db2.gz RZLARGHMIFVSSQ-UHFFFAOYSA-N 0 3 461.436 5.705 50 0 JKAAHN O=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000009553946 555350335 /nfs/dbraw/zinc/35/03/35/555350335.db2.gz FLODQLLTYFJOMW-UHFFFAOYSA-N 0 3 488.075 5.486 50 0 JKAAHN CC1(C)O[C@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)CN1C(=O)CSC1=NCCN1 ZINC000013362213 555387582 /nfs/dbraw/zinc/38/75/82/555387582.db2.gz FJIROWAKFHDSJC-OOSPJTPISA-N 0 3 487.754 5.445 50 0 biogenic JKAAHN Cc1c(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013425212 555399327 /nfs/dbraw/zinc/39/93/27/555399327.db2.gz WAIAJIINMMGMFG-UHFFFAOYSA-N 0 3 494.639 5.191 50 0 JKAAHN O=C(NCCN1CCCCCC1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000009589371 555402450 /nfs/dbraw/zinc/40/24/50/555402450.db2.gz MOQFXWJUANEYLT-UHFFFAOYSA-N 0 3 450.586 5.570 50 0 JKAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000009589375 555402492 /nfs/dbraw/zinc/40/24/92/555402492.db2.gz PEEQUAQLXAENKB-OAQYLSRUSA-N 0 3 450.586 5.568 50 0 JKAAHN Cc1cccc(-c2nc3ccc(C(=O)NCCN4CCCC4)cc3nc2-c2cccc(C)c2)c1 ZINC000009589472 555402693 /nfs/dbraw/zinc/40/26/93/555402693.db2.gz HAAMFKLHAZXRPA-UHFFFAOYSA-N 0 3 450.586 5.406 50 0 JKAAHN Cc1cccc(-c2nc3ccc(C(=O)NCCN4CCCC[C@H]4C)cc3nc2-c2cccc(C)c2)c1 ZINC000009589478 555402819 /nfs/dbraw/zinc/40/28/19/555402819.db2.gz HEOBCBFCAREUQT-HSZRJFAPSA-N 0 3 478.640 6.185 50 0 JKAAHN CN(CCNC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2)Cc1ccccc1 ZINC000009693765 555422915 /nfs/dbraw/zinc/42/29/15/555422915.db2.gz BMQGIUDSRRHKKK-UHFFFAOYSA-N 0 3 454.039 5.107 50 0 JKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3c(s2)c2cc(C)ccc2oc3=O)cc1 ZINC000009611192 555443121 /nfs/dbraw/zinc/44/31/21/555443121.db2.gz FEXMPSHUILSWII-UHFFFAOYSA-N 0 3 478.570 5.067 50 0 JKAAHN O=C(CCCCN1CCCCC1)c1ccc2c(c1)-c1ccccc1/C2=C/c1ccc2c(c1)OCO2 ZINC000013511551 555483236 /nfs/dbraw/zinc/48/32/36/555483236.db2.gz MMPUYPQTPISBPV-IMRQLAEWSA-N 0 3 465.593 6.824 50 0 JKAAHN CCOC(=O)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccc(C)o3)sc2c1 ZINC000013554581 555493516 /nfs/dbraw/zinc/49/35/16/555493516.db2.gz CFGNIBZMUAQMAB-NRFANRHFSA-N 0 3 486.505 5.231 50 0 JKAAHN Cc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccccc1)c1c3nc(-c4ccncc4)nn3cnc1O2 ZINC000013557567 555494242 /nfs/dbraw/zinc/49/42/42/555494242.db2.gz UFOHOSOVLHCBNN-QFIPXVFZSA-N 0 3 491.942 5.620 50 0 JKAAHN O[C@@H](CNCc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000013563665 555498678 /nfs/dbraw/zinc/49/86/78/555498678.db2.gz KFFZTNPHTGLILJ-SFHVURJKSA-N 0 3 488.223 5.470 50 0 JKAAHN COc1ccc(-n2nnnc2C2(NCCc3c(C)[nH]c4c3c(Cl)ccc4Cl)CCCCC2)cc1 ZINC000019848552 555510224 /nfs/dbraw/zinc/51/02/24/555510224.db2.gz ILKRDHDYNQFUDK-UHFFFAOYSA-N 0 3 499.446 5.759 50 0 JKAAHN CSc1ccccc1N1CCN(CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000013586565 555524462 /nfs/dbraw/zinc/52/44/62/555524462.db2.gz JNBBJUHCODFLEG-XMMPIXPASA-N 0 3 451.680 5.285 50 0 in-vitro JKAAHN COc1cc2c(cc1OCc1ccccc1)[C@H](Cc1ccc(O)c(OCc3ccccc3)c1)N(C)CC2 ZINC000019877677 555524586 /nfs/dbraw/zinc/52/45/86/555524586.db2.gz MNZMAPURPHGCNO-NDEPHWFRSA-N 0 3 495.619 6.331 50 0 JKAAHN C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000013617552 555536924 /nfs/dbraw/zinc/53/69/24/555536924.db2.gz POFJLUIMNQZBLM-PQNGQFLHSA-N 0 3 453.325 5.435 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000013659686 555555887 /nfs/dbraw/zinc/55/58/87/555555887.db2.gz AFWXVGVLMNSEKH-DSNGMDLFSA-N 0 3 488.465 5.910 50 0 JKAAHN O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000009969943 555567155 /nfs/dbraw/zinc/56/71/55/555567155.db2.gz BFSPNOCXCRJTLS-UHFFFAOYSA-N 0 3 487.047 5.918 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013713658 555591093 /nfs/dbraw/zinc/59/10/93/555591093.db2.gz GOKQVEOIHKKPNE-QHAWAJNXSA-N 0 3 483.749 5.154 50 0 JKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000013778641 555617723 /nfs/dbraw/zinc/61/77/23/555617723.db2.gz ZJLRIAFKGZDUFS-VXNXHJTFSA-N 0 3 492.362 5.834 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000013786539 555619150 /nfs/dbraw/zinc/61/91/50/555619150.db2.gz XAWGCHOHQDTCLG-SVFBPWRDSA-N 0 3 457.288 5.184 50 0 JKAAHN O=C(NCCSCc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020057995 555621505 /nfs/dbraw/zinc/62/15/05/555621505.db2.gz AZXGLTMPLAHQBQ-UHFFFAOYSA-N 0 3 451.035 5.562 50 0 biogenic,in-vitro JKAAHN Cc1nn(-c2cccc(Cl)c2)c2c1C(c1ccccc1)c1c3nc(-c4cccnc4)nn3cnc1O2 ZINC000013813874 555628699 /nfs/dbraw/zinc/62/86/99/555628699.db2.gz XWWYIEWSHSXGIQ-QFIPXVFZSA-N 0 3 491.942 5.620 50 0 JKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2ccccc2C2CCCCC2)c1 ZINC000020111669 555648404 /nfs/dbraw/zinc/64/84/04/555648404.db2.gz TWZXUEVPHWTFOI-WJOKGBTCSA-N 0 3 496.651 7.047 50 0 biogenic JKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2ccccc2C2CCCCC2)c1 ZINC000020111671 555648458 /nfs/dbraw/zinc/64/84/58/555648458.db2.gz TWZXUEVPHWTFOI-HKBQPEDESA-N 0 3 496.651 7.047 50 0 biogenic JKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2ccc(Cl)cc2Cl)c1 ZINC000020112067 555649368 /nfs/dbraw/zinc/64/93/68/555649368.db2.gz LSJSSUDZFWEASB-VWLOTQADSA-N 0 3 483.395 6.306 50 0 biogenic JKAAHN CC(C)C[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCCN1CCC(C)CC1 ZINC000020116217 555653855 /nfs/dbraw/zinc/65/38/55/555653855.db2.gz BFVWKUGHDJGCEM-SWENQFBLSA-N 0 3 493.736 5.147 50 0 JKAAHN CCc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCC(C)CC3)c3cc(Br)ccc3n2)cc1 ZINC000020212629 555705901 /nfs/dbraw/zinc/70/59/01/555705901.db2.gz MFXHVUHFPRIWJM-LJQANCHMSA-N 0 3 494.477 6.077 50 0 JKAAHN CCc1ccc(-c2cc(C(=O)N[C@@H](C)CN3CCC(C)CC3)c3cc(Br)ccc3n2)cc1 ZINC000020212624 555706013 /nfs/dbraw/zinc/70/60/13/555706013.db2.gz MFXHVUHFPRIWJM-IBGZPJMESA-N 0 3 494.477 6.077 50 0 JKAAHN CCc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3cc(Cl)ccc3n2)s1 ZINC000020212963 555706505 /nfs/dbraw/zinc/70/65/05/555706505.db2.gz DJKQWMSJIOQZIK-UHFFFAOYSA-N 0 3 490.072 6.574 50 0 JKAAHN Cc1c(Cl)ccc2c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc(-c3ccccc3)nc12 ZINC000020295526 555763854 /nfs/dbraw/zinc/76/38/54/555763854.db2.gz PNJFZWBJZLBIEH-UHFFFAOYSA-N 0 3 470.016 6.258 50 0 JKAAHN CCOc1ccc2nc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000011614457 555791303 /nfs/dbraw/zinc/79/13/03/555791303.db2.gz UKGLMUCWWUMYIU-HSZRJFAPSA-N 0 3 486.524 5.999 50 0 JKAAHN Cc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)cc1F ZINC000020532169 555800465 /nfs/dbraw/zinc/80/04/65/555800465.db2.gz ZGCZAXXBIJHCLO-JOCHJYFZSA-N 0 3 468.642 6.273 50 0 JKAAHN COc1cc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)cc(OC)c1 ZINC000020532173 555800543 /nfs/dbraw/zinc/80/05/43/555800543.db2.gz MNOBFYRPTLGTRT-QHCPKHFHSA-N 0 3 496.677 5.843 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccc(C)cc2)C1 ZINC000020532194 555800874 /nfs/dbraw/zinc/80/08/74/555800874.db2.gz BOQXNPXCWGTCRX-QHCPKHFHSA-N 0 3 464.679 6.524 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2cccc(OC)c2)C1 ZINC000020532186 555800940 /nfs/dbraw/zinc/80/09/40/555800940.db2.gz BLIJJXZCCXZTQF-QHCPKHFHSA-N 0 3 480.678 6.224 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000020532189 555801069 /nfs/dbraw/zinc/80/10/69/555801069.db2.gz UYFOAHUHBORALD-HSZRJFAPSA-N 0 3 499.124 7.178 50 0 JKAAHN CC[C@H](NC(=O)Nc1cc(OC)cc(OC)c1)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532222 555801247 /nfs/dbraw/zinc/80/12/47/555801247.db2.gz GOIGSODDLYIRCB-NRFANRHFSA-N 0 3 468.623 5.207 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000020532251 555801259 /nfs/dbraw/zinc/80/12/59/555801259.db2.gz MPHGGDSYMPATTP-ZFGQVMFLSA-N 0 3 452.668 5.246 50 0 JKAAHN CCOc1ccccc1NC(=O)N[C@@H](CC)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532217 555801292 /nfs/dbraw/zinc/80/12/92/555801292.db2.gz NNYOCIVDPRSJKI-IBGZPJMESA-N 0 3 452.624 5.588 50 0 JKAAHN Cc1ccc(CN(C(=O)Nc2cccc(C(F)(F)F)c2)C2CCN(Cc3ccccc3)CC2)o1 ZINC000020532302 555801686 /nfs/dbraw/zinc/80/16/86/555801686.db2.gz KATGVIWCBPYTEG-UHFFFAOYSA-N 0 3 471.523 6.306 50 0 JKAAHN Cc1ccc(CN(C(=O)Nc2ccc(Br)c(C)c2)C2CCN(Cc3ccccc3)CC2)o1 ZINC000020532303 555801701 /nfs/dbraw/zinc/80/17/01/555801701.db2.gz UCTSFEFWCWZEKH-UHFFFAOYSA-N 0 3 496.449 6.358 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000020532252 555801719 /nfs/dbraw/zinc/80/17/19/555801719.db2.gz MPHGGDSYMPATTP-BALBBAFXSA-N 0 3 452.668 5.246 50 0 JKAAHN OCC1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2ccc([C@H]3CCCCO3)s2)CC1 ZINC000011766315 555811749 /nfs/dbraw/zinc/81/17/49/555811749.db2.gz XKARCXNHKOJELE-OAQYLSRUSA-N 0 3 453.570 5.826 50 0 JKAAHN CN(C(=O)c1ccco1)[C@H](Cc1ccc(F)cc1F)C1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000011786931 555820561 /nfs/dbraw/zinc/82/05/61/555820561.db2.gz JQIWPYDABQICDH-RUZDIDTESA-N 0 3 480.555 5.088 50 0 JKAAHN COC(=O)c1sc2nc(CN3CCC[C@@H](C)C3)ccc2c1NC(=O)c1c(F)cccc1Cl ZINC000011787098 555820984 /nfs/dbraw/zinc/82/09/84/555820984.db2.gz RBXLNBQDOMWAMJ-CYBMUJFWSA-N 0 3 475.973 5.360 50 0 JKAAHN COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1sccc1C)CC2 ZINC000014536307 555825297 /nfs/dbraw/zinc/82/52/97/555825297.db2.gz IOFWIFKRXKIZTL-UHFFFAOYSA-N 0 3 491.657 5.045 50 0 JKAAHN COc1ccc(CN2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccco3)C3CC3)CC2)cc1C ZINC000011812987 555828843 /nfs/dbraw/zinc/82/88/43/555828843.db2.gz DSDRZEUWYWGYTL-HHHXNRCGSA-N 0 3 472.629 5.725 50 0 JKAAHN Cc1cc(C)cc(CN2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)c1 ZINC000014542052 555832705 /nfs/dbraw/zinc/83/27/05/555832705.db2.gz XQHIJSVRFXNCQP-UHFFFAOYSA-N 0 3 496.655 5.130 50 0 JKAAHN C/C(=C\c1ccccc1)CN1CCC2(C[C@H]2C(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000011840528 555833161 /nfs/dbraw/zinc/83/31/61/555833161.db2.gz NNACXUMGQZGTBL-WWMDMZBBSA-N 0 3 458.646 5.057 50 0 JKAAHN COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000014998386 555842931 /nfs/dbraw/zinc/84/29/31/555842931.db2.gz RFVXZRZALZBMOD-VWLOTQADSA-N 0 3 478.662 5.235 50 0 JKAAHN CSc1ccc2cc(CN(CCN(C)C)C(=O)CC3CCCC3)c(-c3cccs3)nc2c1 ZINC000015000587 555845070 /nfs/dbraw/zinc/84/50/70/555845070.db2.gz UYAYRUORZBCZMF-UHFFFAOYSA-N 0 3 467.704 6.156 50 0 JKAAHN CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1c(C)nn(C(C)C)c1C)CC2 ZINC000011880495 555848669 /nfs/dbraw/zinc/84/86/69/555848669.db2.gz GSSIHKMGXGZVGR-FTJBHMTQSA-N 0 3 492.689 5.176 50 0 JKAAHN CCN(CC)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N[C@@H](C)c1cccs1 ZINC000011881269 555849602 /nfs/dbraw/zinc/84/96/02/555849602.db2.gz NZAAMRSRCIJTPM-SFHVURJKSA-N 0 3 466.603 5.242 50 0 JKAAHN COc1ccc(CN2CCC(c3nnc(SCC4CCCCC4)n3C[C@@H]3CCCO3)CC2)cc1 ZINC000015005321 555849949 /nfs/dbraw/zinc/84/99/49/555849949.db2.gz LWTUUYWRNNSOCN-VWLOTQADSA-N 0 3 484.710 5.518 50 0 JKAAHN COc1ccc(OC)c(NC(=O)COc2ccc(-c3cccs3)cc2CN2CCCC2)c1 ZINC000015005617 555850218 /nfs/dbraw/zinc/85/02/18/555850218.db2.gz KDBPAXRGGQNSAP-UHFFFAOYSA-N 0 3 452.576 5.046 50 0 JKAAHN CC1=C(CCN2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)C(C)(C)CCC1 ZINC000015006419 555850893 /nfs/dbraw/zinc/85/08/93/555850893.db2.gz ZQGBEHCIKXMYOO-CVDCTZTESA-N 0 3 454.684 5.539 50 0 JKAAHN CCOc1cc(CN2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)ccc1O ZINC000011910786 555858381 /nfs/dbraw/zinc/85/83/81/555858381.db2.gz FVDANEAZESNHHT-DEOSSOPVSA-N 0 3 496.648 5.587 50 0 JKAAHN COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CCN(C)C)C(=O)c3ccco3)cc12 ZINC000011912628 555861637 /nfs/dbraw/zinc/86/16/37/555861637.db2.gz CBYDRDNDCNZZMA-UHFFFAOYSA-N 0 3 473.573 5.024 50 0 JKAAHN CN(CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)C[C@H](c1ccco1)c1ccccc1)CCO2 ZINC000011912774 555861995 /nfs/dbraw/zinc/86/19/95/555861995.db2.gz RLYYDKBHIIGWAF-NDEPHWFRSA-N 0 3 495.623 5.292 50 0 JKAAHN c1cc(CN2CCC(c3nnc(SCc4cccnc4)n3Cc3ccccc3)CC2)cs1 ZINC000011913514 555863495 /nfs/dbraw/zinc/86/34/95/555863495.db2.gz HOXOMDBGTIZLIT-UHFFFAOYSA-N 0 3 461.660 5.455 50 0 JKAAHN CN(Cc1cscn1)C(=O)[C@@H]1CC12CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000015069712 555869544 /nfs/dbraw/zinc/86/95/44/555869544.db2.gz PNWNXLNWCOZCIK-VWLOTQADSA-N 0 3 460.647 5.172 50 0 JKAAHN Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000011957154 555869877 /nfs/dbraw/zinc/86/98/77/555869877.db2.gz ZJMBOHVNUMIMHH-UHFFFAOYSA-N 0 3 464.613 5.355 50 0 JKAAHN CCN(CC)[C@H]1CCN(C(=O)c2c(=O)cc(C)n3c2C[C@@H](c2ccsc2)Sc2ccccc2-3)C1 ZINC000015071607 555870831 /nfs/dbraw/zinc/87/08/31/555870831.db2.gz NIHSEULIUQLAAT-CPJSRVTESA-N 0 3 493.698 5.153 50 0 JKAAHN Cc1cccc(CN2CCC([C@@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1 ZINC000011998733 555881419 /nfs/dbraw/zinc/88/14/19/555881419.db2.gz OHTGRLFLNOOZIJ-RUZDIDTESA-N 0 3 452.545 5.462 50 0 JKAAHN Cc1cccc(CN2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1 ZINC000011998731 555881545 /nfs/dbraw/zinc/88/15/45/555881545.db2.gz OHTGRLFLNOOZIJ-VWLOTQADSA-N 0 3 452.545 5.462 50 0 JKAAHN 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COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000018023735 556277613 /nfs/dbraw/zinc/27/76/13/556277613.db2.gz HEBPGXFSRJKKIQ-VSKRKVRLSA-N 0 3 469.324 5.053 50 0 JKAAHN CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000018068877 556283397 /nfs/dbraw/zinc/28/33/97/556283397.db2.gz FWTOXAOGUDVTRJ-FCEKVYKBSA-N 0 3 476.576 6.188 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000018081341 556284850 /nfs/dbraw/zinc/28/48/50/556284850.db2.gz ZDJLGAQDLXRNTG-QHAWAJNXSA-N 0 3 483.749 5.154 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000018137458 556292792 /nfs/dbraw/zinc/29/27/92/556292792.db2.gz MPCYRNRFSSRROT-NJDAHSKKSA-N 0 3 483.749 5.154 50 0 JKAAHN CSc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000018156209 556295489 /nfs/dbraw/zinc/29/54/89/556295489.db2.gz ZQKZWPWZSLAQMV-CYXNTTPDSA-N 0 3 466.562 5.613 50 0 JKAAHN CC1CCN([C@@H](CNC(=O)C2C[C@H]3CC[C@@H](C2)C32SCCS2)c2cccs2)CC1 ZINC000027573883 556299540 /nfs/dbraw/zinc/29/95/40/556299540.db2.gz WJQSWKBOZWOWMQ-NXEWRWPSSA-N 0 3 450.739 5.250 50 0 JKAAHN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027662671 556301990 /nfs/dbraw/zinc/30/19/90/556301990.db2.gz VFGVKIRLQSRLRM-SFHVURJKSA-N 0 3 461.425 5.912 50 0 JKAAHN CCc1ccc([C@H](CNC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc32)N2CCCC2)cc1 ZINC000028293060 556329202 /nfs/dbraw/zinc/32/92/02/556329202.db2.gz JTQZOSSPPGUCQA-PMERELPUSA-N 0 3 479.624 6.040 50 0 JKAAHN CCc1ccc([C@@H](CNC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc32)N2CCCC2)cc1 ZINC000028293058 556329274 /nfs/dbraw/zinc/32/92/74/556329274.db2.gz JTQZOSSPPGUCQA-SSEXGKCCSA-N 0 3 479.624 6.040 50 0 JKAAHN COc1cccc(-c2cc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)N3CCCC3)c3ccccc3n2)c1 ZINC000028403067 556332718 /nfs/dbraw/zinc/33/27/18/556332718.db2.gz GURSRVNKCDGKNP-WJOKGBTCSA-N 0 3 493.651 6.601 50 0 JKAAHN Cc1ccc(N2CCN(C[C@H](O)Cn3c4ccc(Cl)cc4c4cc(Cl)ccc43)CC2)cc1 ZINC000028464374 556333681 /nfs/dbraw/zinc/33/36/81/556333681.db2.gz DWGJRWQMICUWSN-QFIPXVFZSA-N 0 3 468.428 5.593 50 0 JKAAHN O=C(CCN1CCN2CCCC[C@@H]2C1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000019370548 556346571 /nfs/dbraw/zinc/34/65/71/556346571.db2.gz KAVQQYSUMOZNRQ-GOSISDBHSA-N 0 3 461.553 5.395 50 0 biogenic JKAAHN c1sc2nc(-c3cccnc3)nc(NC3CCN(Cc4ccccc4)CC3)c2c1-c1ccccc1 ZINC000013131570 556357782 /nfs/dbraw/zinc/35/77/82/556357782.db2.gz KFMCCHCQABBFRN-UHFFFAOYSA-N 0 3 477.637 6.497 50 0 JKAAHN O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(Cc2ccccc2)CC1 ZINC000019720756 556361912 /nfs/dbraw/zinc/36/19/12/556361912.db2.gz DDJRRLCZCHXFJP-JOCHJYFZSA-N 0 3 468.428 5.280 50 0 JKAAHN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(CCC1=C(C)CCCC1(C)C)CC2 ZINC000019732593 556363108 /nfs/dbraw/zinc/36/31/08/556363108.db2.gz KVLMXTDGOPNECH-MHZLTWQESA-N 0 3 454.054 7.221 50 0 JKAAHN Cc1ccccc1-c1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000019739797 556363652 /nfs/dbraw/zinc/36/36/52/556363652.db2.gz YUIXXYJNRSJNPB-HHHXNRCGSA-N 0 3 483.616 5.032 50 0 JKAAHN O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000019770906 556368518 /nfs/dbraw/zinc/36/85/18/556368518.db2.gz WDYPLTSTWNHYKB-NRFANRHFSA-N 0 3 488.846 5.938 50 0 JKAAHN COc1cc(C)c(CN(CCc2ccc(Cl)cc2Cl)Cc2cc(C)c(OC)cc2C)cc1C ZINC000019772016 556368813 /nfs/dbraw/zinc/36/88/13/556368813.db2.gz OOIWNDNGDOMYOF-UHFFFAOYSA-N 0 3 486.483 7.489 50 0 JKAAHN c1sc2ncnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1-c1ccccc1 ZINC000019808605 556379797 /nfs/dbraw/zinc/37/97/97/556379797.db2.gz OIPUHMUBGSZVNI-UHFFFAOYSA-N 0 3 462.622 6.270 50 0 JKAAHN Clc1ccc(-c2csc3ncnc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)c23)cc1 ZINC000019809149 556380133 /nfs/dbraw/zinc/38/01/33/556380133.db2.gz JEZMVVTUNKSVLD-UHFFFAOYSA-N 0 3 497.067 6.923 50 0 JKAAHN Cc1ccc(C(=O)Nc2ccc(N3CCC(N4CCN(Cc5ncccc5C)CC4)CC3)cc2)c(C)c1 ZINC000019812365 556382586 /nfs/dbraw/zinc/38/25/86/556382586.db2.gz PUARZFSXQLCDIN-UHFFFAOYSA-N 0 3 497.687 5.046 50 0 JKAAHN Fc1ccccc1-c1nc2ccccc2c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019815146 556382971 /nfs/dbraw/zinc/38/29/71/556382971.db2.gz JTGHAJRVLNHFLU-UHFFFAOYSA-N 0 3 474.583 6.348 50 0 JKAAHN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000019823062 556393079 /nfs/dbraw/zinc/39/30/79/556393079.db2.gz VUXKRTCEGSSCQA-UHFFFAOYSA-N 0 3 460.021 5.169 50 0 JKAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000032622877 556452761 /nfs/dbraw/zinc/45/27/61/556452761.db2.gz YBTYKVSPERYRQV-QFIPXVFZSA-N 0 3 452.982 5.241 50 0 JKAAHN Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H]3CC4(CCN(C)CC4)Oc4ccccc43)cc12 ZINC000032676328 556469787 /nfs/dbraw/zinc/46/97/87/556469787.db2.gz MGHLDWMBWFUTQM-QFIPXVFZSA-N 0 3 472.614 5.113 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(Br)cc2)C1 ZINC000008590250 562942574 /nfs/dbraw/zinc/94/25/74/562942574.db2.gz ZTRTXAPXDPSGPC-OAHLLOKOSA-N 0 3 473.440 5.562 50 0 JKAAHN CC[C@H](NC(=O)Nc1cc(OC)ccc1OC)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000008590238 562942577 /nfs/dbraw/zinc/94/25/77/562942577.db2.gz CAPMBDOURMKUGE-IBGZPJMESA-N 0 3 468.623 5.207 50 0 JKAAHN COc1ccc(CN2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c(OC)c1 ZINC000019219490 563014765 /nfs/dbraw/zinc/01/47/65/563014765.db2.gz RGVNEPBKBZHMPN-XMMPIXPASA-N 0 3 480.612 5.911 50 0 JKAAHN CCCN1CC(=Cc2cccc3ccccc23)C2=NC(=S)N[C@H](c3cccc4ccccc43)C2C1 ZINC000055028194 569590486 /nfs/dbraw/zinc/59/04/86/569590486.db2.gz CCBFBQSLGTZNJH-FTDJXNPMSA-N 0 3 475.661 6.986 50 0 JKAAHN COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1Br ZINC000055531375 569592074 /nfs/dbraw/zinc/59/20/74/569592074.db2.gz FACGOCHXXFREFK-UHFFFAOYSA-N 0 3 480.406 5.032 50 0 JKAAHN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c(Cl)c1 ZINC000057251279 569594875 /nfs/dbraw/zinc/59/48/75/569594875.db2.gz YRLFMTJZJBJXIX-UHFFFAOYSA-N 0 3 479.049 5.097 50 0 JKAAHN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057335703 569599093 /nfs/dbraw/zinc/59/90/93/569599093.db2.gz YNLLEUCZRIAXHB-UHFFFAOYSA-N 0 3 474.655 5.375 50 0 JKAAHN CC[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983652 569606974 /nfs/dbraw/zinc/60/69/74/569606974.db2.gz WFSDQLVNKGOYFL-OJLHXUGZSA-N 0 3 490.003 5.352 50 0 JKAAHN CC[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983651 569607022 /nfs/dbraw/zinc/60/70/22/569607022.db2.gz WFSDQLVNKGOYFL-XQQQEEOESA-N 0 3 490.003 5.352 50 0 JKAAHN O=C(c1ccccc1)[C@H]1CN(Cc2ccccc2)C[C@H](C(=O)c2ccccc2)C1c1ccccc1 ZINC000061967327 569609662 /nfs/dbraw/zinc/60/96/62/569609662.db2.gz IPWAFJULWVHAIF-VMPREFPWSA-N 0 3 459.589 6.284 50 0 JKAAHN CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)[C@H]3C=C12 ZINC000061999350 569609927 /nfs/dbraw/zinc/60/99/27/569609927.db2.gz MADVJTISXVRJQY-AMZPDFMZSA-N 0 3 461.433 5.350 50 0 biogenic JKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1SC[C@H]1CCCO1 ZINC000062289249 569610631 /nfs/dbraw/zinc/61/06/31/569610631.db2.gz OFMBBHWAHMQGDP-AREMUKBSSA-N 0 3 487.669 5.532 50 0 JKAAHN Cc1ccc(-c2ccc(Nc3cccc(C(=O)NCCCN(C)Cc4ccccc4)c3)nn2)cc1 ZINC000032996987 569610794 /nfs/dbraw/zinc/61/07/94/569610794.db2.gz NWIGAHYYPYOXOB-UHFFFAOYSA-N 0 3 465.601 5.448 50 0 JKAAHN Cc1cccc(-c2ccc(Nc3cccc(C(=O)NC4CCN(Cc5ccccc5)CC4)c3)nn2)c1 ZINC000032996941 569610834 /nfs/dbraw/zinc/61/08/34/569610834.db2.gz GULMXTZZKRDTET-UHFFFAOYSA-N 0 3 477.612 5.590 50 0 JKAAHN CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)c3ccc4c(c3)OCO4)c(CN(C)C)c21 ZINC000062418211 569610900 /nfs/dbraw/zinc/61/09/00/569610900.db2.gz JGGFGFAUSGYRCA-UHFFFAOYSA-N 0 3 487.508 5.286 50 0 JKAAHN Cc1cc(CSc2ccccc2C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)no1 ZINC000062731520 569614706 /nfs/dbraw/zinc/61/47/06/569614706.db2.gz IZOCEUHOYAITNO-UHFFFAOYSA-N 0 3 498.652 5.850 50 0 JKAAHN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000062734766 569614811 /nfs/dbraw/zinc/61/48/11/569614811.db2.gz HHIXYLLNOLFMGL-LJQANCHMSA-N 0 3 483.568 5.399 50 0 JKAAHN Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1NC(=O)c1ccco1 ZINC000062734764 569614832 /nfs/dbraw/zinc/61/48/32/569614832.db2.gz LXNSUQQNFFWUMX-UHFFFAOYSA-N 0 3 494.595 5.415 50 0 JKAAHN Cc1c(C[NH2+]CCCN(Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000063666776 569615885 /nfs/dbraw/zinc/61/58/85/569615885.db2.gz LNOQUJUTIPBMIX-UHFFFAOYSA-N 0 3 461.650 5.550 50 0 JKAAHN COc1ccc(Cn2c(C)c(C[NH2+]CCCN(Cc3ccccc3)C(C)C)c(C(=O)[O-])c2C)cc1 ZINC000063666804 569616024 /nfs/dbraw/zinc/61/60/24/569616024.db2.gz VHQRDGVULBZPJJ-UHFFFAOYSA-N 0 3 477.649 5.250 50 0 JKAAHN CCN(CCNC(=O)c1cccc(Nc2cc(-c3ccc(C)cc3)ncn2)c1)Cc1ccccc1 ZINC000033010573 569616784 /nfs/dbraw/zinc/61/67/84/569616784.db2.gz VCGVVLODEXFPHI-UHFFFAOYSA-N 0 3 465.601 5.448 50 0 JKAAHN c1ccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC2CCCC2)cc1 ZINC000064746099 569625166 /nfs/dbraw/zinc/62/51/66/569625166.db2.gz JYGJKLWNBYXYPW-UHFFFAOYSA-N 0 3 450.656 5.267 50 0 JKAAHN Fc1cccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC2CCCC2)c1 ZINC000064746096 569625181 /nfs/dbraw/zinc/62/51/81/569625181.db2.gz GWWDFJLMPDZFLF-UHFFFAOYSA-N 0 3 468.646 5.406 50 0 JKAAHN Fc1cccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC2CCCCCC2)c1 ZINC000064746112 569625264 /nfs/dbraw/zinc/62/52/64/569625264.db2.gz NLSRHBBFRYAHFE-UHFFFAOYSA-N 0 3 496.700 6.186 50 0 JKAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@]32C)cc1 ZINC000033732745 569632535 /nfs/dbraw/zinc/63/25/35/569632535.db2.gz WMDGHRGBINJDMS-JCYRPKCISA-N 0 3 462.933 5.098 50 0 JKAAHN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3c4ccc(C)cc4[C@H]4CN(C)CC[C@@H]43)cc12 ZINC000033742648 569633241 /nfs/dbraw/zinc/63/32/41/569633241.db2.gz VMZVMGWPJXZHKE-GGAORHGYSA-N 0 3 477.033 5.805 50 0 JKAAHN CC[C@@H](CN(C)Cc1ccccc1)NC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064816536 569633534 /nfs/dbraw/zinc/63/35/34/569633534.db2.gz YZBXCZLGFGKXPD-QFIPXVFZSA-N 0 3 466.050 6.050 50 0 JKAAHN Cc1ccc(CN2CCC(CNC(=O)Cn3c(-c4cccs4)cc4cc(Cl)ccc43)CC2)cc1 ZINC000064816531 569633550 /nfs/dbraw/zinc/63/35/50/569633550.db2.gz KPKGIRFPHRUUKA-UHFFFAOYSA-N 0 3 492.088 6.360 50 0 JKAAHN c1ccc(COc2ccccc2O[C@H](CCN2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1 ZINC000033876658 569636855 /nfs/dbraw/zinc/63/68/55/569636855.db2.gz NOVKCRPJQZXSJH-WJOKGBTCSA-N 0 3 492.663 6.594 50 0 JKAAHN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1)CC2)C(=O)NCc1ccncc1 ZINC000034671590 569640774 /nfs/dbraw/zinc/64/07/74/569640774.db2.gz POXGBABHUZQVAD-FIRIVFDPSA-N 0 3 491.635 5.703 50 0 JKAAHN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCCOC ZINC000034671642 569640823 /nfs/dbraw/zinc/64/08/23/569640823.db2.gz QPSONGGBLIJULB-URLMMPGGSA-N 0 3 472.629 5.063 50 0 JKAAHN Cc1cccc(CN2CCc3ccc(O[C@@H](C)C(=O)NCCC(C)C)cc3[C@@H]2c2ccccc2)c1 ZINC000034671842 569640934 /nfs/dbraw/zinc/64/09/34/569640934.db2.gz AYYONEXDWRYLLW-NGQVCNFZSA-N 0 3 470.657 6.072 50 0 JKAAHN CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2 ZINC000034671699 569640990 /nfs/dbraw/zinc/64/09/90/569640990.db2.gz SQTNFYWNXNCNAR-WDYNHAJCSA-N 0 3 456.630 5.826 50 0 JKAAHN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NC(C)C ZINC000034671670 569641012 /nfs/dbraw/zinc/64/10/12/569641012.db2.gz WSKMESBHYOFRMV-VMPREFPWSA-N 0 3 456.630 5.825 50 0 JKAAHN Cc1cccc(CN2CCc3ccc(O[C@@H](C)C(=O)NCCC(C)C)cc3[C@H]2c2ccccc2)c1 ZINC000034671845 569641017 /nfs/dbraw/zinc/64/10/17/569641017.db2.gz AYYONEXDWRYLLW-QABMSTFYSA-N 0 3 470.657 6.072 50 0 JKAAHN O=C(Nc1ccc(N2CCCN(Cc3ccccc3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681772 569643494 /nfs/dbraw/zinc/64/34/94/569643494.db2.gz RJLVBTXRKUFDMP-UHFFFAOYSA-N 0 3 454.496 5.065 50 0 JKAAHN COc1cccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000034682695 569643922 /nfs/dbraw/zinc/64/39/22/569643922.db2.gz QSAMXXFAXUBJRA-UHFFFAOYSA-N 0 3 456.630 6.438 50 0 JKAAHN Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000034682637 569643982 /nfs/dbraw/zinc/64/39/82/569643982.db2.gz RDOQGSRBUYRZKF-UHFFFAOYSA-N 0 3 470.510 6.464 50 0 JKAAHN COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000034682679 569644037 /nfs/dbraw/zinc/64/40/37/569644037.db2.gz ALZJRSRBUHHASS-UHFFFAOYSA-N 0 3 460.593 6.269 50 0 JKAAHN COc1ccccc1C(=O)N(c1cccc(C)c1)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000034683052 569644137 /nfs/dbraw/zinc/64/41/37/569644137.db2.gz BILMZMWRPFZDOB-UHFFFAOYSA-N 0 3 456.630 6.438 50 0 JKAAHN COc1ccc(C(=O)N(c2cccc(OC)c2)C2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000034683175 569644251 /nfs/dbraw/zinc/64/42/51/569644251.db2.gz DWSSCFUGHKSDEM-UHFFFAOYSA-N 0 3 472.629 6.139 50 0 JKAAHN CN(Cc1ccco1)C(=O)COc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1)CC2 ZINC000034686591 569645434 /nfs/dbraw/zinc/64/54/34/569645434.db2.gz MEEACHBYUVXTKM-PMERELPUSA-N 0 3 466.581 5.465 50 0 JKAAHN O=C(c1ccccc1)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](CN2CCN(c3ccccc3)CC2)C1 ZINC000034698067 569647683 /nfs/dbraw/zinc/64/76/83/569647683.db2.gz ANTDKDJIYJLVKZ-IGKIAQTJSA-N 0 3 493.573 5.383 50 0 JKAAHN 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ZINC000034836643 569665810 /nfs/dbraw/zinc/66/58/10/569665810.db2.gz ACZFCFRFPNCWKT-UHFFFAOYSA-N 0 3 480.100 5.559 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CC)C[C@@H](C)c1ccccc1 ZINC000034836746 569665919 /nfs/dbraw/zinc/66/59/19/569665919.db2.gz MDTYBSAAIQUVHH-XMMPIXPASA-N 0 3 459.682 5.121 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CC)Cc1ccc(C)cc1C ZINC000034836769 569665998 /nfs/dbraw/zinc/66/59/98/569665998.db2.gz NDTTWXBMILJJQU-UHFFFAOYSA-N 0 3 459.682 5.134 50 0 JKAAHN CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(Cc1ccccc1C)C(C)C ZINC000034836837 569666130 /nfs/dbraw/zinc/66/61/30/569666130.db2.gz WOINMPRMDDRPNA-UHFFFAOYSA-N 0 3 459.682 5.296 50 0 JKAAHN CCCN(Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1cccc(C)c1 ZINC000034836911 569666277 /nfs/dbraw/zinc/66/62/77/569666277.db2.gz GOWLNXBTOFEYRT-UHFFFAOYSA-N 0 3 459.682 5.297 50 0 JKAAHN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1 ZINC000034872861 569668598 /nfs/dbraw/zinc/66/85/98/569668598.db2.gz 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COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1 ZINC000072266312 569701235 /nfs/dbraw/zinc/70/12/35/569701235.db2.gz LVXJQMNHJWSHET-AATRIKPKSA-N 0 3 469.948 5.155 50 0 investigational JKAAHN Cc1ccc(-c2nnc(-c3nc4ccccc4c(NCCCN4CCc5ccccc5C4)n3)o2)cc1 ZINC000035560921 569704320 /nfs/dbraw/zinc/70/43/20/569704320.db2.gz QRRCAWKAJCBFFC-UHFFFAOYSA-N 0 3 476.584 5.516 50 0 JKAAHN CCOc1ccc(NC(=O)N(Cc2cccc(C)n2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000035686856 569706909 /nfs/dbraw/zinc/70/69/09/569706909.db2.gz FDQNWMXYEMEBSS-UHFFFAOYSA-N 0 3 458.606 5.487 50 0 JKAAHN Cc1ncc(CCC[NH+](C)C)cc1Nc1ncc2c(n1)-c1ccc(C(F)(F)F)cc1[N-]C(=S)C2 ZINC000082157362 569708149 /nfs/dbraw/zinc/70/81/49/569708149.db2.gz CODBZFJPKJDNDT-UHFFFAOYSA-N 0 3 486.567 5.399 50 0 in-vivo JKAAHN CNC(=O)c1cc(Nc2ccc3[nH]c(Nc4ccc(Cl)c(C(F)(F)F)c4)nc3c2)ccn1 ZINC000085393837 569710020 /nfs/dbraw/zinc/71/00/20/569710020.db2.gz HHMKGONIZGSDAI-UHFFFAOYSA-N 0 3 460.847 5.477 50 0 JKAAHN Cc1cccn2c(=O)c(CCN3CCCc4c(c5ccccc5n4Cc4ccccc4)C3)c(C)nc12 ZINC000085393531 569710093 /nfs/dbraw/zinc/71/00/93/569710093.db2.gz NZGCYKNKWJXHLG-UHFFFAOYSA-N 0 3 476.624 5.305 50 0 JKAAHN O=C(CCc1c(-c2ccccc2)nc2ccc(-c3ccccc3Cl)cn21)NCCN1CCCC1 ZINC000085409099 569710396 /nfs/dbraw/zinc/71/03/96/569710396.db2.gz WRYHZTYUIZACPV-UHFFFAOYSA-N 0 3 473.020 5.466 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000085649855 569712392 /nfs/dbraw/zinc/71/23/92/569712392.db2.gz QLEKIOBLFBPBQA-UHFFFAOYSA-N 0 3 463.585 5.282 50 0 JKAAHN Cc1ccccc1Cn1cccc1CN(C[C@H](O)COCc1ccccc1)CC1CCCCC1 ZINC000035840787 569713819 /nfs/dbraw/zinc/71/38/19/569713819.db2.gz UZFZJFHVDKDASN-PMERELPUSA-N 0 3 460.662 5.805 50 0 JKAAHN CC(C)[C@@H](O)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842644 569714187 /nfs/dbraw/zinc/71/41/87/569714187.db2.gz OQBKLQBOZCMYMW-LJAQVGFWSA-N 0 3 491.720 5.764 50 0 JKAAHN CCOc1ccc(-c2c(C)sc3ncnc(NC4CCN(Cc5ccccc5)CC4)c32)cc1 ZINC000094993311 569721485 /nfs/dbraw/zinc/72/14/85/569721485.db2.gz VZEKHUOXVYZWRE-UHFFFAOYSA-N 0 3 458.631 6.142 50 0 JKAAHN CCc1cccc2c([C@H](CC(=O)NC3CCN(Cc4ccccc4)CC3)c3cccc(OC)c3)c[nH]c21 ZINC000035889320 569721529 /nfs/dbraw/zinc/72/15/29/569721529.db2.gz IKSPZIGPZLLOLT-GDLZYMKVSA-N 0 3 495.667 6.042 50 0 JKAAHN CCc1cccc2c([C@@H](CC(=O)N(CCN(C)C)Cc3ccccc3)c3ccccc3OC)c[nH]c21 ZINC000035908357 569723952 /nfs/dbraw/zinc/72/39/52/569723952.db2.gz PIDPFFZWNFWPQM-MHZLTWQESA-N 0 3 483.656 5.851 50 0 JKAAHN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCCN(Cc4cccc(C)c4)CC3)c12 ZINC000035924675 569728181 /nfs/dbraw/zinc/72/81/81/569728181.db2.gz GOUJSJJJHVMHPJ-UHFFFAOYSA-N 0 3 468.649 5.343 50 0 JKAAHN COc1ccc(CN2CCCN(c3nc(CC(C)C)nc4c3c(C)nn4-c3ccccc3)CC2)cc1 ZINC000035924667 569728188 /nfs/dbraw/zinc/72/81/88/569728188.db2.gz PVRWDIPLJHDGOA-UHFFFAOYSA-N 0 3 484.648 5.043 50 0 JKAAHN Fc1ccc(CN2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925671 569728918 /nfs/dbraw/zinc/72/89/18/569728918.db2.gz AGXCPQOLUYQFRI-UHFFFAOYSA-N 0 3 492.602 5.258 50 0 JKAAHN Cc1cccc(CN2CCCN(c3nc(CC(C)C)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035925702 569729099 /nfs/dbraw/zinc/72/90/99/569729099.db2.gz BLYGTVYLXDLLME-UHFFFAOYSA-N 0 3 454.622 5.035 50 0 JKAAHN CC(C)(C)c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000095949535 569731322 /nfs/dbraw/zinc/73/13/22/569731322.db2.gz ZTPSJSRBQJQIGS-UHFFFAOYSA-N 0 3 470.701 6.894 50 0 JKAAHN CC[C@@H](C(=O)c1ccccc1)[C@@H](c1ccc(OC)cc1)c1ccc(OCCN2CCCC2)cc1 ZINC000096027403 569732009 /nfs/dbraw/zinc/73/20/09/569732009.db2.gz CEQWENFCDRGOCF-WDYNHAJCSA-N 0 3 457.614 6.211 50 0 JKAAHN CC[C@H](C(=O)c1ccccc1)[C@H](c1ccc(OC)cc1)c1ccc(OCCN2CCCC2)cc1 ZINC000096027404 569732011 /nfs/dbraw/zinc/73/20/11/569732011.db2.gz CEQWENFCDRGOCF-URLMMPGGSA-N 0 3 457.614 6.211 50 0 JKAAHN CC[C@@H](C(=O)c1ccccc1)[C@H](c1ccc(OC)cc1)c1ccc(OCCN2CCCC2)cc1 ZINC000096027405 569732030 /nfs/dbraw/zinc/73/20/30/569732030.db2.gz CEQWENFCDRGOCF-FQLXRVMXSA-N 0 3 457.614 6.211 50 0 JKAAHN Cc1ncc(CN2CCCC[C@H]2CCO)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116478 569735414 /nfs/dbraw/zinc/73/54/14/569735414.db2.gz NLKDRXVWMDUWSV-NRFANRHFSA-N 0 3 458.558 5.135 50 0 biogenic JKAAHN Clc1ccc2nc(C3CCC3)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000096592659 569742129 /nfs/dbraw/zinc/74/21/29/569742129.db2.gz VGMYWOCPTBOLMV-UHFFFAOYSA-N 0 3 469.032 6.462 50 0 JKAAHN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)c(C(C)C)c1 ZINC000098074325 569750248 /nfs/dbraw/zinc/75/02/48/569750248.db2.gz FWSBAKFIRHTBCY-VSGBNLITSA-N 0 3 478.702 6.776 50 0 JKAAHN CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@H](O)COc1ccccc1C)CC1CC1 ZINC000036246102 569757739 /nfs/dbraw/zinc/75/77/39/569757739.db2.gz BUIXUPZZZDXANQ-DEOSSOPVSA-N 0 3 463.622 5.148 50 0 JKAAHN CC(C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000036301581 569759033 /nfs/dbraw/zinc/75/90/33/569759033.db2.gz LBZUGVWVYUJHLU-JOCHJYFZSA-N 0 3 451.611 5.266 50 0 JKAAHN COc1ccc(Oc2c(CN(C[C@H](O)C(C)C)CC3CC3)c(C)nn2-c2cccc(Cl)c2)cc1 ZINC000036301691 569759285 /nfs/dbraw/zinc/75/92/85/569759285.db2.gz LQFJXSIAKGHABC-SANMLTNESA-N 0 3 484.040 5.864 50 0 JKAAHN Cc1ccccc1OC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313047 569760605 /nfs/dbraw/zinc/76/06/05/569760605.db2.gz AEBKMWIKAWLQKO-VWLOTQADSA-N 0 3 475.633 5.292 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C ZINC000036313771 569761044 /nfs/dbraw/zinc/76/10/44/569761044.db2.gz PPKTXAQTPRKPAG-HSZRJFAPSA-N 0 3 481.637 5.276 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@@H](C)CC ZINC000036313784 569761082 /nfs/dbraw/zinc/76/10/82/569761082.db2.gz IWODRLCSHBUFCO-JTHBVZDNSA-N 0 3 465.638 6.040 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036313855 569761343 /nfs/dbraw/zinc/76/13/43/569761343.db2.gz NZHQRUVDTQOTPL-DEOSSOPVSA-N 0 3 468.041 6.390 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036313856 569761409 /nfs/dbraw/zinc/76/14/09/569761409.db2.gz NZHQRUVDTQOTPL-XMMPIXPASA-N 0 3 468.041 6.390 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036313983 569761535 /nfs/dbraw/zinc/76/15/35/569761535.db2.gz HSQKCDFHFOQSGV-HSZRJFAPSA-N 0 3 469.601 5.407 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)(C)C ZINC000036316153 569762015 /nfs/dbraw/zinc/76/20/15/569762015.db2.gz MJVBFRFUMKXDKH-OAQYLSRUSA-N 0 3 487.591 5.546 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000036316143 569762053 /nfs/dbraw/zinc/76/20/53/569762053.db2.gz OPEUVIURUDOUIA-OAQYLSRUSA-N 0 3 473.564 5.156 50 0 JKAAHN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316162 569762113 /nfs/dbraw/zinc/76/21/13/569762113.db2.gz YRLDUIXUIGNLAG-HSZRJFAPSA-N 0 3 499.602 5.403 50 0 JKAAHN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)c1ccccc1)CC1CC1 ZINC000036316318 569762633 /nfs/dbraw/zinc/76/26/33/569762633.db2.gz GHLZJJWAMDOAFO-LJAQVGFWSA-N 0 3 467.613 6.173 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000036316401 569762807 /nfs/dbraw/zinc/76/28/07/569762807.db2.gz YNYGAYHNKRAINX-JTHBVZDNSA-N 0 3 481.637 5.234 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036316361 569762864 /nfs/dbraw/zinc/76/28/64/569762864.db2.gz GSRBENIBWYXOPI-HSZRJFAPSA-N 0 3 481.637 5.091 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036316463 569763014 /nfs/dbraw/zinc/76/30/14/569763014.db2.gz IQDXOQYCDKHBQD-JOCHJYFZSA-N 0 3 469.601 5.222 50 0 JKAAHN COc1cccc(Oc2c(CN(CC(C)C)C[C@H](O)COCC(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341964 569765050 /nfs/dbraw/zinc/76/50/50/569765050.db2.gz CIRNCRLJAJVLEO-VWLOTQADSA-N 0 3 495.664 5.473 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341957 569765160 /nfs/dbraw/zinc/76/51/60/569765160.db2.gz QAWZXAPMEZEBPD-XMMPIXPASA-N 0 3 465.638 5.991 50 0 JKAAHN CCOc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C2CCCCC2)cc1 ZINC000036344020 569766756 /nfs/dbraw/zinc/76/67/56/569766756.db2.gz MUQQBMANKATZEH-VWLOTQADSA-N 0 3 454.014 5.681 50 0 JKAAHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100722278 569767969 /nfs/dbraw/zinc/76/79/69/569767969.db2.gz VDJMILZIOPAUCW-CEXWTWQISA-N 0 3 478.879 5.471 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)C ZINC000036345821 569768345 /nfs/dbraw/zinc/76/83/45/569768345.db2.gz WKONNEUVQSFMJK-RDGATRHJSA-N 0 3 465.638 5.668 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036345834 569768388 /nfs/dbraw/zinc/76/83/88/569768388.db2.gz OIPASKBPZIVLGL-NDEPHWFRSA-N 0 3 483.656 6.343 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(CC(C)C)C[C@H](O)COC(C)C ZINC000036345831 569768405 /nfs/dbraw/zinc/76/84/05/569768405.db2.gz PUYPNAZMNOXLPM-VWLOTQADSA-N 0 3 465.638 5.525 50 0 JKAAHN CCCCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345960 569768588 /nfs/dbraw/zinc/76/85/88/569768588.db2.gz SPWGLHCQCYOKEC-DEOSSOPVSA-N 0 3 483.628 5.748 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CC(C)C)C[C@H](O)COC(C)C ZINC000036345961 569768606 /nfs/dbraw/zinc/76/86/06/569768606.db2.gz PXNMFUFFOHDUTP-QHCPKHFHSA-N 0 3 469.601 5.356 50 0 JKAAHN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036346057 569768764 /nfs/dbraw/zinc/76/87/64/569768764.db2.gz JHBKMKQQZJEVJI-RUZDIDTESA-N 0 3 473.592 5.928 50 0 JKAAHN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036346058 569768810 /nfs/dbraw/zinc/76/88/10/569768810.db2.gz JHBKMKQQZJEVJI-VWLOTQADSA-N 0 3 473.592 5.928 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036346117 569769045 /nfs/dbraw/zinc/76/90/45/569769045.db2.gz CFLAHKBTVQYGAH-MUUNZHRXSA-N 0 3 483.656 6.343 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346136 569769054 /nfs/dbraw/zinc/76/90/54/569769054.db2.gz DLZMLUABAQLWLJ-DEOSSOPVSA-N 0 3 451.611 5.137 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036346128 569769066 /nfs/dbraw/zinc/76/90/66/569769066.db2.gz XODBHTGNLXZMGC-RUZDIDTESA-N 0 3 479.665 5.915 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)[C@H](C)CC ZINC000036346193 569769273 /nfs/dbraw/zinc/76/92/73/569769273.db2.gz WTAKVRIEVMBHGD-QPPBQGQZSA-N 0 3 451.611 5.279 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036346318 569769434 /nfs/dbraw/zinc/76/94/34/569769434.db2.gz LFNPGAZHABVBTM-RDPSFJRHSA-N 0 3 483.628 5.889 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346315 569769452 /nfs/dbraw/zinc/76/94/52/569769452.db2.gz WXIPNPZQGLYDIU-YKSBVNFPSA-N 0 3 469.601 5.499 50 0 JKAAHN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036346533 569769923 /nfs/dbraw/zinc/76/99/23/569769923.db2.gz MXRPGYLGWBFGDK-MUUNZHRXSA-N 0 3 495.667 6.351 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)[C@H](C)CC ZINC000036346561 569770011 /nfs/dbraw/zinc/77/00/11/569770011.db2.gz WOBFMMXUQLTEOH-GCJKJVERSA-N 0 3 473.564 5.249 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036346558 569770092 /nfs/dbraw/zinc/77/00/92/569770092.db2.gz WWYBGCOBSRODMY-CVDCTZTESA-N 0 3 487.591 5.638 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036346557 569770167 /nfs/dbraw/zinc/77/01/67/569770167.db2.gz WWYBGCOBSRODMY-XXBNENTESA-N 0 3 487.591 5.638 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036346817 569770971 /nfs/dbraw/zinc/77/09/71/569770971.db2.gz DIUQGRGQPGNNAG-VWNXMTODSA-N 0 3 479.665 5.964 50 0 JKAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)C3ON2c2ccccc2)c1 ZINC000100931267 569776339 /nfs/dbraw/zinc/77/63/39/569776339.db2.gz HYGAUVLNAWWTMG-VWPQPMDRSA-N 0 3 469.324 5.053 50 0 JKAAHN COc1ccc(-c2noc3nc(C)cc(C(=O)Nc4ccc(CN5CCCCC5)cc4)c32)cc1 ZINC000036619247 569778570 /nfs/dbraw/zinc/77/85/70/569778570.db2.gz WSZBEJZCZMCMDL-UHFFFAOYSA-N 0 3 456.546 5.445 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H]([C@]4(CC)CCC(CC)=CO4)[C@H]3C2=O)cc1 ZINC000101031215 569780159 /nfs/dbraw/zinc/78/01/59/569780159.db2.gz QJZAAVNLNNRBFQ-BVXNIFABSA-N 0 3 490.600 5.407 50 0 JKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101130330 569784049 /nfs/dbraw/zinc/78/40/49/569784049.db2.gz UWYACZATRJHYMB-NXCFDTQHSA-N 0 3 490.531 5.064 50 0 JKAAHN Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)C2ON1c1ccccc1 ZINC000101249750 569788033 /nfs/dbraw/zinc/78/80/33/569788033.db2.gz JKWILGWXNXPJPA-BDTNDASRSA-N 0 3 452.432 5.065 50 0 JKAAHN Cc1cccc(N(Cc2ccc(C(=O)NCCN(C)C)o2)c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000037438732 569790474 /nfs/dbraw/zinc/79/04/74/569790474.db2.gz SCDRISPMTAEUHL-UHFFFAOYSA-N 0 3 495.048 5.995 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037523993 569792843 /nfs/dbraw/zinc/79/28/43/569792843.db2.gz BTIYYAQGWGXZCH-JYFHCDHNSA-N 0 3 490.610 6.070 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037523994 569792869 /nfs/dbraw/zinc/79/28/69/569792869.db2.gz BTIYYAQGWGXZCH-ZEQKJWHPSA-N 0 3 490.610 6.070 50 0 JKAAHN CC(C)CN(C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523706 569792882 /nfs/dbraw/zinc/79/28/82/569792882.db2.gz ZPIVUCUQUYZFHQ-RCZVLFRGSA-N 0 3 478.574 6.201 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3ccccc3Cl)C[C@@H]2CN(CC(C)C)C(=O)c2ccccc2)c1 ZINC000037524142 569793043 /nfs/dbraw/zinc/79/30/43/569793043.db2.gz ZQYQUWQCESTEPU-IXCJQBJRSA-N 0 3 491.075 6.363 50 0 JKAAHN CN(C)CCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000037542094 569793829 /nfs/dbraw/zinc/79/38/29/569793829.db2.gz YHTDYBSZQYONQG-UHFFFAOYSA-N 0 3 462.457 5.103 50 0 JKAAHN COc1cccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCC(C)CC2)c1 ZINC000038546311 569802908 /nfs/dbraw/zinc/80/29/08/569802908.db2.gz KTGAIHAUIWBLOF-VWLOTQADSA-N 0 3 464.631 6.302 50 0 JKAAHN COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCC(C)CC2)cc1 ZINC000038546310 569802971 /nfs/dbraw/zinc/80/29/71/569802971.db2.gz QWYPWLQBFDKGIF-RUZDIDTESA-N 0 3 464.631 6.302 50 0 JKAAHN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CCC(C)CC2)cc1 ZINC000038546703 569803550 /nfs/dbraw/zinc/80/35/50/569803550.db2.gz PSGDKANQDRMMDC-HSZRJFAPSA-N 0 3 454.661 6.509 50 0 JKAAHN CC1(C)CC2=C(SC(=O)c3ccccc3[C@H]2c2cccs2)N(C(=N)Nc2ccccc2)C1 ZINC000039932008 569812414 /nfs/dbraw/zinc/81/24/14/569812414.db2.gz WCXZRAQIQRJRKL-JOCHJYFZSA-N 0 3 459.640 6.757 50 0 JKAAHN CCOC(=O)[C@@H]1CCCN([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000102423122 569813019 /nfs/dbraw/zinc/81/30/19/569813019.db2.gz JMJTUDCRHYLANB-ILBGXUMGSA-N 0 3 476.642 5.982 50 0 JKAAHN COc1ccc([C@@H]2NC[C@@H](c3ccccc3)c3c4ccccc4[nH]c32)cc1OCc1ccccc1 ZINC000040013425 569813823 /nfs/dbraw/zinc/81/38/23/569813823.db2.gz KWRPUAOQVCRDMV-QCDSWUKFSA-N 0 3 460.577 6.580 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1Cl ZINC000102702898 569816185 /nfs/dbraw/zinc/81/61/85/569816185.db2.gz ONSLCKWIYPZTSG-BHIFYINESA-N 0 3 453.325 5.353 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Br)cc4)[C@@H]3C2=O)cc1C ZINC000102700116 569816217 /nfs/dbraw/zinc/81/62/17/569816217.db2.gz VKVKBVQYPQPHFH-YTFSRNRJSA-N 0 3 477.358 5.117 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102707840 569816880 /nfs/dbraw/zinc/81/68/80/569816880.db2.gz AFWXVGVLMNSEKH-CCDWMCETSA-N 0 3 488.465 5.910 50 0 JKAAHN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCC1CCN(Cc2ccccc2)CC1 ZINC000102716909 569817014 /nfs/dbraw/zinc/81/70/14/569817014.db2.gz QCDONOHBUVECLE-UHFFFAOYSA-N 0 3 458.631 5.674 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000102724713 569817508 /nfs/dbraw/zinc/81/75/08/569817508.db2.gz CYFFLCICLQOQOT-ISJGIBHGSA-N 0 3 454.913 5.544 50 0 JKAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000102723718 569817525 /nfs/dbraw/zinc/81/75/25/569817525.db2.gz COLRNCLXYGUNNM-YPAWHYETSA-N 0 3 469.324 5.053 50 0 JKAAHN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000102727103 569817687 /nfs/dbraw/zinc/81/76/87/569817687.db2.gz XQOMMHZCPXMMNP-YTFSRNRJSA-N 0 3 499.350 5.062 50 0 JKAAHN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102728901 569817982 /nfs/dbraw/zinc/81/79/82/569817982.db2.gz RSYSVVPXMQQROL-DNVJHFABSA-N 0 3 467.352 5.607 50 0 JKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(OC)c1 ZINC000102736446 569818576 /nfs/dbraw/zinc/81/85/76/569818576.db2.gz LSOWSSNQULASJV-DNVJHFABSA-N 0 3 499.350 5.062 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000102740522 569819115 /nfs/dbraw/zinc/81/91/15/569819115.db2.gz QUENEMRYTACVHE-CCDWMCETSA-N 0 3 489.358 6.198 50 0 JKAAHN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)C3ON2c2ccccc2)c1 ZINC000102742551 569819316 /nfs/dbraw/zinc/81/93/16/569819316.db2.gz IBYZXIMWJRVOOK-MQSCRBSSSA-N 0 3 499.350 5.062 50 0 JKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102749786 569820794 /nfs/dbraw/zinc/82/07/94/569820794.db2.gz PCHRNFDRVIKOHO-YPAWHYETSA-N 0 3 453.325 5.353 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)c(C)c1 ZINC000102751136 569820940 /nfs/dbraw/zinc/82/09/40/569820940.db2.gz VFGVPJFOWZWFSG-KKUQBAQOSA-N 0 3 454.570 5.652 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(Br)c4)[C@H]3C2=O)c(C)c1 ZINC000102752177 569820949 /nfs/dbraw/zinc/82/09/49/569820949.db2.gz HBQJJBSTVTVRNC-DNVJHFABSA-N 0 3 477.358 5.117 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1C ZINC000102755743 569821346 /nfs/dbraw/zinc/82/13/46/569821346.db2.gz WQTMRVXPDUQCJJ-DNVJHFABSA-N 0 3 467.352 5.661 50 0 JKAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000102758066 569821522 /nfs/dbraw/zinc/82/15/22/569821522.db2.gz IXBALEIDQQGARE-YPAWHYETSA-N 0 3 469.324 5.053 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102757255 569821607 /nfs/dbraw/zinc/82/16/07/569821607.db2.gz LQZRBGXDTNKSHL-RJGXRXQPSA-N 0 3 490.346 5.593 50 0 JKAAHN Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C2ON1c1ccccc1 ZINC000102763734 569822696 /nfs/dbraw/zinc/82/26/96/569822696.db2.gz RBBCIPDUDXIEHR-YPAWHYETSA-N 0 3 452.432 5.065 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c(C)c1 ZINC000102765688 569822827 /nfs/dbraw/zinc/82/28/27/569822827.db2.gz XIPBWSMXBRJSGS-RJGXRXQPSA-N 0 3 467.352 5.661 50 0 JKAAHN C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NCCN(C)C)co1)Cc1ccc(Cl)c(Cl)c1 ZINC000040402424 569827810 /nfs/dbraw/zinc/82/78/10/569827810.db2.gz XVBHHZAMMKQBRM-KRWDZBQOSA-N 0 3 475.420 5.036 50 0 JKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000103002694 569831466 /nfs/dbraw/zinc/83/14/66/569831466.db2.gz VAWKIFVVJANQRK-YPAWHYETSA-N 0 3 469.324 5.053 50 0 JKAAHN O=C(NCc1cccc(F)c1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000049535958 569848218 /nfs/dbraw/zinc/84/82/18/569848218.db2.gz LAKQYJNFFWLNHS-UHFFFAOYSA-N 0 3 455.577 5.357 50 0 JKAAHN O=C(NCc1ccc(F)cc1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000049535954 569848240 /nfs/dbraw/zinc/84/82/40/569848240.db2.gz OPXPNVOFYSLDEE-UHFFFAOYSA-N 0 3 455.577 5.357 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000105006839 569849925 /nfs/dbraw/zinc/84/99/25/569849925.db2.gz YNYGAYHNKRAINX-GGAORHGYSA-N 0 3 481.637 5.234 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@H](C)CC 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CCOC(=O)c1c(NC(=O)[C@@H](NC2CCCCC2)c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000003342454 194291318 /nfs/dbraw/zinc/29/13/18/194291318.db2.gz ITQYRERCWZDIJZ-HXOBKFHXSA-N 0 3 454.636 5.652 50 0 JKAAHN COc1ccc(Nc2c3cc(NC(=O)/C=C/c4ccco4)ccc3nc3c2CCCC3)cc1OC ZINC000003654714 194351649 /nfs/dbraw/zinc/35/16/49/194351649.db2.gz AMFQWFGAUXYBLQ-SDNWHVSQSA-N 0 3 469.541 6.119 50 0 JKAAHN CCCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC ZINC000003655669 194352311 /nfs/dbraw/zinc/35/23/11/194352311.db2.gz CPLDQJHNIBRWLU-SANMLTNESA-N 0 3 492.616 5.094 50 0 JKAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(OCCC(C)C)c1)N(CCCN(C)C)C3=O ZINC000003655674 194352391 /nfs/dbraw/zinc/35/23/91/194352391.db2.gz XSQGYNHZXMHTHU-SANMLTNESA-N 0 3 476.617 5.332 50 0 JKAAHN CCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000003655675 194352604 /nfs/dbraw/zinc/35/26/04/194352604.db2.gz PKNPZXZGNZRXFK-SANMLTNESA-N 0 3 492.616 5.094 50 0 JKAAHN COc1ccc(C2=C(CN3CCCCC3)[C@@H](Cc3ccccc3)c3ccccc3O2)cc1OC 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c1ccc(-c2cnc(-c3ccncc3)nc2[C@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000020910894 195245974 /nfs/dbraw/zinc/24/59/74/195245974.db2.gz VKAMDNMSJQALFN-QHCPKHFHSA-N 0 3 450.542 5.314 50 0 JKAAHN CCN1CCC(N(Cc2ccc(OC)cc2)C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000020922722 195248353 /nfs/dbraw/zinc/24/83/53/195248353.db2.gz OICCOZZTNFHORF-UHFFFAOYSA-N 0 3 464.379 5.115 50 0 JKAAHN CCCCN(CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020920304 195247740 /nfs/dbraw/zinc/24/77/40/195247740.db2.gz MYSHMBHRRSVAHJ-LJAQVGFWSA-N 0 3 496.696 5.314 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000020927478 195249617 /nfs/dbraw/zinc/24/96/17/195249617.db2.gz OAIBQMBYLSMAKU-UHFFFAOYSA-N 0 3 473.440 5.309 50 0 JKAAHN CCOc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n[nH]2)cc1 ZINC000021017168 195267053 /nfs/dbraw/zinc/26/70/53/195267053.db2.gz VVKHEAXIXYPPAQ-UHFFFAOYSA-N 0 3 466.585 5.023 50 0 JKAAHN COc1ccc(-c2csc3ncnc(NCC4CCN(Cc5ccc(F)cc5)CC4)c23)cc1 ZINC000021049179 195272255 /nfs/dbraw/zinc/27/22/55/195272255.db2.gz CALGFVSDWUNALV-UHFFFAOYSA-N 0 3 462.594 5.830 50 0 JKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4cccc(Cl)c4)CC3)cc3ccccc32)cc1 ZINC000021116177 195278412 /nfs/dbraw/zinc/27/84/12/195278412.db2.gz AHPRQSGEYNVFLL-UHFFFAOYSA-N 0 3 486.059 6.180 50 0 JKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccccc4)CC3)cc3ccccc32)cc1 ZINC000021116185 195278556 /nfs/dbraw/zinc/27/85/56/195278556.db2.gz CZUDRXURHDAKCR-UHFFFAOYSA-N 0 3 451.614 5.526 50 0 JKAAHN CCOc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccc(C)cc3)CC2)cc1 ZINC000021116345 195278752 /nfs/dbraw/zinc/27/87/52/195278752.db2.gz XZDGEIOKZGUSDG-UHFFFAOYSA-N 0 3 495.667 5.925 50 0 JKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)cc3ccccc32)cc1 ZINC000021116271 195278909 /nfs/dbraw/zinc/27/89/09/195278909.db2.gz JSSCKHZJDKNNSF-WJOKGBTCSA-N 0 3 491.679 6.404 50 0 JKAAHN CCCCN(CC)CCN1C(=O)c2cc3sc(CC)cc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021526066 195304937 /nfs/dbraw/zinc/30/49/37/195304937.db2.gz GAFAEVSIPHYJRN-MHZLTWQESA-N 0 3 486.726 5.051 50 0 JKAAHN COc1ccc(C(=O)Nc2ccc3[nH]c(C)c([C@@H](c4ccccn4)N4CCCCC4)c3c2)cc1 ZINC000021805896 195323714 /nfs/dbraw/zinc/32/37/14/195323714.db2.gz VHBGZKSUDXAZSJ-HHHXNRCGSA-N 0 3 454.574 5.708 50 0 JKAAHN COc1ccc(C(=O)Nc2ccc3[nH]c(C)c([C@H](c4ccccn4)N4CCCCC4)c3c2)cc1 ZINC000021805893 195323764 /nfs/dbraw/zinc/32/37/64/195323764.db2.gz VHBGZKSUDXAZSJ-MHZLTWQESA-N 0 3 454.574 5.708 50 0 JKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915507 195332033 /nfs/dbraw/zinc/33/20/33/195332033.db2.gz CPGDOYRNBRRPEX-UHFFFAOYSA-N 0 3 482.628 5.762 50 0 JKAAHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934681 195336005 /nfs/dbraw/zinc/33/60/05/195336005.db2.gz QWRFJBRCXXVORE-UHFFFAOYSA-N 0 3 454.549 5.078 50 0 JKAAHN Cc1c(NC(=O)[C@H](C)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057503165 195348616 /nfs/dbraw/zinc/34/86/16/195348616.db2.gz FWWQCXWXLHPWNX-YADARESESA-N 0 3 462.638 5.096 50 0 JKAAHN CC[C@H](C)c1ccc([C@H](N[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(C)C)cc1 ZINC000057825584 195360774 /nfs/dbraw/zinc/36/07/74/195360774.db2.gz KODSPKSHKBVYGU-ZYLNGJIFSA-N 0 3 462.638 5.312 50 0 JKAAHN CCCCOc1ccc([C@@](C)(O)[C@@H](CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000058480186 195379920 /nfs/dbraw/zinc/37/99/20/195379920.db2.gz LYPBMNMXFVRGJH-XZWHSSHBSA-N 0 3 476.636 5.818 50 0 JKAAHN CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)[C@H]3C=C12 ZINC000059415298 195399337 /nfs/dbraw/zinc/39/93/37/195399337.db2.gz MADVJTISXVRJQY-AAYSFUBESA-N 0 3 461.433 5.350 50 0 biogenic JKAAHN CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253532697 195476873 /nfs/dbraw/zinc/47/68/73/195476873.db2.gz YFNPVWRSYRXVRN-QSOWTKJTSA-N 0 3 485.709 5.303 50 0 JKAAHN COc1ccc([C@@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000096276152 130013295 /nfs/dbraw/zinc/01/32/95/130013295.db2.gz UHMJDSFYZAZGJC-MUUNZHRXSA-N 0 3 481.640 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Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000012217251 526803335 /nfs/dbraw/zinc/80/33/35/526803335.db2.gz GBCQDVSNQAXATL-HHHXNRCGSA-N 0 3 476.592 5.258 50 0 JKAAHN O=C(c1ccco1)N1CCC[C@H](COc2cccc(CN3CCC(Cc4ccccc4)CC3)c2)C1 ZINC000012280710 526827489 /nfs/dbraw/zinc/82/74/89/526827489.db2.gz GXGXIULXBKRSDI-MHZLTWQESA-N 0 3 472.629 5.666 50 0 JKAAHN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012372262 526842186 /nfs/dbraw/zinc/84/21/86/526842186.db2.gz LLNSDKFCQMVBSO-UHFFFAOYSA-N 0 3 457.977 5.169 50 0 JKAAHN Clc1ccc(CN2CCC(CNc3ncnc4onc(-c5ccc(Cl)cc5)c43)CC2)cc1 ZINC000008603663 526944505 /nfs/dbraw/zinc/94/45/05/526944505.db2.gz CEBQGAWALVBGDD-UHFFFAOYSA-N 0 3 468.388 5.916 50 0 JKAAHN O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000016286324 526973091 /nfs/dbraw/zinc/97/30/91/526973091.db2.gz SLUNDCRLCZKYKV-UHFFFAOYSA-N 0 3 451.570 5.180 50 0 JKAAHN O=C1CC[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)CCN1Cc1ccc(F)cc1F ZINC000020453528 526994790 /nfs/dbraw/zinc/99/47/90/526994790.db2.gz HDXLRFVHHUJCDD-MHZLTWQESA-N 0 3 489.610 5.253 50 0 JKAAHN O=C(Nc1ccc(Cl)cc1)c1cc2cc(C3(O)CCN(Cc4ccccc4)CC3)ccc2o1 ZINC000014993417 527180049 /nfs/dbraw/zinc/18/00/49/527180049.db2.gz NSRILUDDBXUKGL-UHFFFAOYSA-N 0 3 460.961 5.822 50 0 JKAAHN O=C(Nc1ccc(F)c(F)c1)c1cc2cc(C3(O)CCN(Cc4cccs4)CC3)ccc2o1 ZINC000014991765 527195548 /nfs/dbraw/zinc/19/55/48/527195548.db2.gz HABDQSAOTDBVAQ-UHFFFAOYSA-N 0 3 468.525 5.508 50 0 JKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1sc2ccccc2c1Cl ZINC000016286300 527226945 /nfs/dbraw/zinc/22/69/45/527226945.db2.gz AERKWDWWXYSKPW-UHFFFAOYSA-N 0 3 462.018 6.129 50 0 JKAAHN O=S(=O)(N[C@@H]1CCCC[C@@H]1N(Cc1ccco1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000020441816 527235920 /nfs/dbraw/zinc/23/59/20/527235920.db2.gz ZTYVUZQQMXWRKW-PKTZIBPZSA-N 0 3 451.032 5.357 50 0 JKAAHN O=C(Nc1ccccc1Cl)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046055983 527415679 /nfs/dbraw/zinc/41/56/79/527415679.db2.gz FBVYNCVTRBOFIW-UHFFFAOYSA-N 0 3 475.995 6.333 50 0 JKAAHN O=c1c2c(ncn1CCCc1ccccc1)sc1c2CC[C@H](NCc2ccc(F)c(F)c2)C1 ZINC000014982371 527455938 /nfs/dbraw/zinc/45/59/38/527455938.db2.gz RHIMSIGWMDPGMG-IBGZPJMESA-N 0 3 465.569 5.016 50 0 JKAAHN O=C(NC1CCCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046055988 527517448 /nfs/dbraw/zinc/51/74/48/527517448.db2.gz JJLBBQYRLQOLGW-UHFFFAOYSA-N 0 3 461.625 5.880 50 0 JKAAHN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC3CCN(Cc4ccc(F)cc4)CC3)c12 ZINC000020516816 527522973 /nfs/dbraw/zinc/52/29/73/527522973.db2.gz LIXDTXQRIYPRBQ-UHFFFAOYSA-N 0 3 485.607 5.127 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000033258020 527531344 /nfs/dbraw/zinc/53/13/44/527531344.db2.gz SVTLCMLCULIQQY-UHFFFAOYSA-N 0 3 463.585 5.282 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)Cc2ccccc2)CC2CC2)c1Oc1ccc(F)cc1 ZINC000036307778 527538210 /nfs/dbraw/zinc/53/82/10/527538210.db2.gz NXNPEDUNMQAMML-SANMLTNESA-N 0 3 485.603 5.834 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccccc1F ZINC000036306888 527538244 /nfs/dbraw/zinc/53/82/44/527538244.db2.gz DDFMTUFLENFMDY-QFIPXVFZSA-N 0 3 481.612 5.407 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccc(F)cc1 ZINC000036307804 527538762 /nfs/dbraw/zinc/53/87/62/527538762.db2.gz YGPILDRPHYKMEJ-QHCPKHFHSA-N 0 3 481.612 5.407 50 0 JKAAHN O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)OCO2)c1c(Cl)cc(Cl)cc1Cl ZINC000022667700 527545048 /nfs/dbraw/zinc/54/50/48/527545048.db2.gz OVTGBHFZARKHAN-MQVJKMGUSA-N 0 3 467.780 5.301 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC(C)C)C[C@H](O)COC(C)C ZINC000036303963 527549264 /nfs/dbraw/zinc/54/92/64/527549264.db2.gz ACOAMFZBUDDCJG-QHCPKHFHSA-N 0 3 487.591 5.495 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036304901 527551036 /nfs/dbraw/zinc/55/10/36/527551036.db2.gz HKNTUQHQLFCKCW-NDEPHWFRSA-N 0 3 481.640 6.097 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)c1ccccc1)CC1CC1 ZINC000036308650 527551160 /nfs/dbraw/zinc/55/11/60/527551160.db2.gz VKARQJCVQPGBAU-MUUNZHRXSA-N 0 3 453.586 5.919 50 0 JKAAHN O=C(NCCC1=CCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055967 527622766 /nfs/dbraw/zinc/62/27/66/527622766.db2.gz QJURUYGHEHRMBW-UHFFFAOYSA-N 0 3 473.636 6.047 50 0 JKAAHN COc1ccc([C@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000096276153 536909986 /nfs/dbraw/zinc/90/99/86/536909986.db2.gz UHMJDSFYZAZGJC-NDEPHWFRSA-N 0 3 481.640 5.432 50 0 JKAAHN O=C(CCCN1CCN(c2ccc(F)cc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000000607979 553711344 /nfs/dbraw/zinc/71/13/44/553711344.db2.gz WFNRNNUZFPVBSM-MUUNZHRXSA-N 0 3 475.633 5.239 50 0 in-man JKAAHN CCOc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3cc(C)ccc3n2)cc1 ZINC000000653278 553733984 /nfs/dbraw/zinc/73/39/84/553733984.db2.gz NYCFSFNSQMSVHA-UHFFFAOYSA-N 0 3 479.624 6.003 50 0 JKAAHN COc1cc2c(cc1OC)C1(CCOCC1)CN(CC[C@@H](c1ccccc1)c1ccccc1O)C2 ZINC000000755129 553777518 /nfs/dbraw/zinc/77/75/18/553777518.db2.gz PJAQNPHFXJNCAR-DEOSSOPVSA-N 0 3 473.613 5.495 50 0 JKAAHN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccccc2)c1CN(CC)CC ZINC000001233996 553936804 /nfs/dbraw/zinc/93/68/04/553936804.db2.gz KRSUMUFFGXZMOF-UHFFFAOYSA-N 0 3 487.394 5.337 50 0 JKAAHN Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)CNCc3ccccc3)c2c(C)c1 ZINC000002083392 554028841 /nfs/dbraw/zinc/02/88/41/554028841.db2.gz KCUNRRRNZPJVQM-MUUNZHRXSA-N 0 3 460.621 6.743 50 0 JKAAHN COc1ccc2nc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4C3c3cccs3)sc2c1 ZINC000002242047 554110024 /nfs/dbraw/zinc/11/00/24/554110024.db2.gz IFJZGFZZFCONAH-HXUWFJFHSA-N 0 3 460.536 5.531 50 0 JKAAHN Cc1nc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccccc2F)sc1C ZINC000002405962 554188533 /nfs/dbraw/zinc/18/85/33/554188533.db2.gz UMZAHMCUSFDDJL-SFHVURJKSA-N 0 3 485.334 5.518 50 0 JKAAHN Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccccc1F)N(c1nnc(CC(C)C)s1)C3=O ZINC000002410381 554191348 /nfs/dbraw/zinc/19/13/48/554191348.db2.gz TYWNZIJGDGREJW-OAQYLSRUSA-N 0 3 463.534 5.349 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1F ZINC000002429534 554203795 /nfs/dbraw/zinc/20/37/95/554203795.db2.gz GFCQWPOTDVZCGL-NJDAHSKKSA-N 0 3 457.288 5.184 50 0 JKAAHN COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000002432721 554205829 /nfs/dbraw/zinc/20/58/29/554205829.db2.gz KZJOYLSKYIHPTO-OAQYLSRUSA-N 0 3 458.470 5.300 50 0 JKAAHN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002750304 554326076 /nfs/dbraw/zinc/32/60/76/554326076.db2.gz CTDMQAKXSPIXGS-UHFFFAOYSA-N 0 3 479.573 5.085 50 0 biogenic JKAAHN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2cccc(Br)c2)cc1 ZINC000002870284 554395104 /nfs/dbraw/zinc/39/51/04/554395104.db2.gz XVYDWFZKMTZLLY-UHFFFAOYSA-N 0 3 468.391 5.821 50 0 JKAAHN COCCN(CCOC)C[C@@H](O)Cn1c2ccc(C)cc2c(-c2ccccc2)c1-c1ccccc1 ZINC000003201319 554430269 /nfs/dbraw/zinc/43/02/69/554430269.db2.gz KRIZHVZLUZFZLR-AREMUKBSSA-N 0 3 472.629 5.239 50 0 JKAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCC[C@H]6CCCC[C@@H]65)C4=O)cc3)sc2c1 ZINC000008414617 554578351 /nfs/dbraw/zinc/57/83/51/554578351.db2.gz AAUUMHAFSZYNOZ-YFXJRYMSSA-N 0 3 459.615 5.558 50 0 JKAAHN COc1ccc(Nc2cc(C(=O)NCCCN(C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000008583446 554601291 /nfs/dbraw/zinc/60/12/91/554601291.db2.gz WHTLSVDCIQYGCA-UHFFFAOYSA-N 0 3 454.574 5.239 50 0 JKAAHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(OC(F)F)cc2)N2CCCCC2)c1C ZINC000008763384 554663450 /nfs/dbraw/zinc/66/34/50/554663450.db2.gz IXHRETCMVWOYOX-NRFANRHFSA-N 0 3 460.546 6.387 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccc4ccccc43)=NN12 ZINC000008837945 554739117 /nfs/dbraw/zinc/73/91/17/554739117.db2.gz LWRNEFVZZGSMQO-QHCPKHFHSA-N 0 3 462.391 5.568 50 0 JKAAHN CC(C)=CCOc1ccc2c(C)c(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1C ZINC000008877368 554772731 /nfs/dbraw/zinc/77/27/31/554772731.db2.gz HOGTXBVECSFYIY-UHFFFAOYSA-N 0 3 488.628 5.078 50 0 biogenic JKAAHN Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008911558 554800507 /nfs/dbraw/zinc/80/05/07/554800507.db2.gz XKRFQAIUBKAOGN-UHFFFAOYSA-N 0 3 474.008 5.476 50 0 JKAAHN Cc1ccc(CN2CCC(CNC(=O)c3ccc(N4CCOc5ccccc54)s3)CC2)cc1 ZINC000008912124 554801938 /nfs/dbraw/zinc/80/19/38/554801938.db2.gz AHEGWBOFYPYCPU-UHFFFAOYSA-N 0 3 461.631 5.229 50 0 JKAAHN O=C1c2ccccc2[C@H](OC2CCN(Cc3ccccc3)CC2)N1CCc1ccc(Cl)cc1 ZINC000008983442 554847745 /nfs/dbraw/zinc/84/77/45/554847745.db2.gz OQLWLGQLDPYKJK-NDEPHWFRSA-N 0 3 461.005 5.718 50 0 JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009015892 554866227 /nfs/dbraw/zinc/86/62/27/554866227.db2.gz DXFZWQNVFLFBHW-GSTLAZBSSA-N 0 3 482.967 5.211 50 0 JKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000009018926 554866804 /nfs/dbraw/zinc/86/68/04/554866804.db2.gz LPSXHJJKFPWBMV-HHHXNRCGSA-N 0 3 469.654 6.582 50 0 JKAAHN Cc1ccc(Cn2cc(CCC(=O)NCCCN(C)Cc3ccccc3)c3ccccc32)cc1 ZINC000009116076 554903338 /nfs/dbraw/zinc/90/33/38/554903338.db2.gz FPKVQVQSVHQDMR-UHFFFAOYSA-N 0 3 453.630 5.569 50 0 JKAAHN O=C(CCc1cn(Cc2ccc(F)cc2)c2ccccc12)NC1CCN(Cc2ccccc2)CC1 ZINC000009116104 554903343 /nfs/dbraw/zinc/90/33/43/554903343.db2.gz UWFLGZGOWZXGKS-UHFFFAOYSA-N 0 3 469.604 5.542 50 0 JKAAHN Cc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000009151148 554937064 /nfs/dbraw/zinc/93/70/64/554937064.db2.gz MEOAMYHZGQMKCO-UHFFFAOYSA-N 0 3 492.019 6.076 50 0 JKAAHN O=C(NCCCN(Cc1ccco1)C1CCCC1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000009152951 554941785 /nfs/dbraw/zinc/94/17/85/554941785.db2.gz JQALVOVZRXQZSI-UHFFFAOYSA-N 0 3 495.067 6.088 50 0 JKAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccco5)nc4c32)cc1 ZINC000009209483 554978513 /nfs/dbraw/zinc/97/85/13/554978513.db2.gz FWBOKALGIQGFBB-QFIPXVFZSA-N 0 3 476.496 5.173 50 0 JKAAHN Cc1oc(-c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)nc1CSc1ccccc1 ZINC000009212006 554982298 /nfs/dbraw/zinc/98/22/98/554982298.db2.gz ZKMUSMCJPDMGSF-UHFFFAOYSA-N 0 3 475.658 6.033 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009232671 555004991 /nfs/dbraw/zinc/00/49/91/555004991.db2.gz OSMIARPOUGEAAF-LJQANCHMSA-N 0 3 481.221 5.721 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(C)cc1)c1c3nc(-c4ccccc4O)nn3cnc1O2 ZINC000009233377 555006384 /nfs/dbraw/zinc/00/63/84/555006384.db2.gz WXRGLIIZMDMECL-XMMPIXPASA-N 0 3 486.535 5.585 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009272146 555044814 /nfs/dbraw/zinc/04/48/14/555044814.db2.gz CIVBBXOPQCRVEW-NJDAHSKKSA-N 0 3 483.749 5.154 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccc(C)cc4)nn3cnc1O2 ZINC000009281184 555050200 /nfs/dbraw/zinc/05/02/00/555050200.db2.gz QEJONDJNNQJFSQ-DEOSSOPVSA-N 0 3 470.536 5.880 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccc(C)cc4)nn3cnc1O2 ZINC000009281185 555050297 /nfs/dbraw/zinc/05/02/97/555050297.db2.gz QEJONDJNNQJFSQ-XMMPIXPASA-N 0 3 470.536 5.880 50 0 JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000009309187 555083708 /nfs/dbraw/zinc/08/37/08/555083708.db2.gz BHILAFPBTYDLPB-UUROJUAVSA-N 0 3 496.994 5.601 50 0 JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000009309265 555083858 /nfs/dbraw/zinc/08/38/58/555083858.db2.gz XSQCPFOFYOILOK-UUROJUAVSA-N 0 3 480.539 5.086 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000009374570 555135890 /nfs/dbraw/zinc/13/58/90/555135890.db2.gz NBZGDSHOBIGUBM-RUZDIDTESA-N 0 3 488.429 6.082 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000009374569 555135906 /nfs/dbraw/zinc/13/59/06/555135906.db2.gz NBZGDSHOBIGUBM-VWLOTQADSA-N 0 3 488.429 6.082 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000009428118 555193690 /nfs/dbraw/zinc/19/36/90/555193690.db2.gz IWVMXDZNASXNLL-UBFVSLLYSA-N 0 3 489.358 6.198 50 0 JKAAHN CC[C@@H](C)N(CCCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1 ZINC000009433780 555204080 /nfs/dbraw/zinc/20/40/80/555204080.db2.gz IEMIIWIKAPIAGY-OAQYLSRUSA-N 0 3 487.600 5.013 50 0 JKAAHN COc1ccc(-n2cc(C(=O)NCCCN(Cc3ccco3)C3CCCC3)c3ccccc3c2=O)cc1 ZINC000009433778 555204108 /nfs/dbraw/zinc/20/41/08/555204108.db2.gz XGYDOIKHHFCOKE-UHFFFAOYSA-N 0 3 499.611 5.157 50 0 JKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1CN1CCCC[C@@H]1c1cccnc1 ZINC000009435188 555206231 /nfs/dbraw/zinc/20/62/31/555206231.db2.gz OGINYXKCGXTSFR-IXCJQBJRSA-N 0 3 452.602 5.534 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(COc4ccc(C)cc4)nn3cnc1O2 ZINC000009446429 555219531 /nfs/dbraw/zinc/21/95/31/555219531.db2.gz UVPDAKIGMKAPFW-XMMPIXPASA-N 0 3 490.523 5.385 50 0 JKAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009461781 555229942 /nfs/dbraw/zinc/22/99/42/555229942.db2.gz MXUAEZSFZFSINL-HXUWFJFHSA-N 0 3 492.364 5.406 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000009462236 555231061 /nfs/dbraw/zinc/23/10/61/555231061.db2.gz NKEYXPADDRLQDW-NRFANRHFSA-N 0 3 474.830 5.848 50 0 JKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000009462262 555231102 /nfs/dbraw/zinc/23/11/02/555231102.db2.gz RSEBQQDARJATKK-NRFANRHFSA-N 0 3 474.830 5.847 50 0 JKAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000009462755 555231951 /nfs/dbraw/zinc/23/19/51/555231951.db2.gz HWJFWLTWWWYHND-FQEVSTJZSA-N 0 3 460.803 5.458 50 0 JKAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000009462756 555231976 /nfs/dbraw/zinc/23/19/76/555231976.db2.gz HWJFWLTWWWYHND-HXUWFJFHSA-N 0 3 460.803 5.458 50 0 JKAAHN CCOC(=O)[C@@H]1CCCN([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000009494715 555279125 /nfs/dbraw/zinc/27/91/25/555279125.db2.gz JMJTUDCRHYLANB-NOZRDPDXSA-N 0 3 476.642 5.982 50 0 JKAAHN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)N2CCC(Cc3ccccc3)CC2)c1C ZINC000009494713 555279130 /nfs/dbraw/zinc/27/91/30/555279130.db2.gz 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CC(C)NC(=O)[C@@H]1C[C@@H](NCc2cccc(Oc3ccccc3)c2)CN1Cc1cccc(Cl)c1 ZINC000023362329 556049229 /nfs/dbraw/zinc/04/92/29/556049229.db2.gz RFUYHBMECPKDSA-SQHAQQRYSA-N 0 3 478.036 5.390 50 0 JKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000012564482 556060433 /nfs/dbraw/zinc/06/04/33/556060433.db2.gz IKEPIUNMNPFVMF-WIOPSUGQSA-N 0 3 469.610 5.485 50 0 JKAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@H](NC1CCCCCCC1)c1ccccc1)C[C@H](C)CC2 ZINC000012565751 556063209 /nfs/dbraw/zinc/06/32/09/556063209.db2.gz KVBUMQBUIHGSJX-KBMIEXCESA-N 0 3 482.690 6.432 50 0 JKAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](NC1CCCCCCC1)c1ccccc1)C[C@@H](C)CC2 ZINC000012565748 556063314 /nfs/dbraw/zinc/06/33/14/556063314.db2.gz KVBUMQBUIHGSJX-DFBJGRDBSA-N 0 3 482.690 6.432 50 0 JKAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@H](NC1CCCCCCC1)c1ccccc1)C[C@@H](C)CC2 ZINC000012565749 556063344 /nfs/dbraw/zinc/06/33/44/556063344.db2.gz KVBUMQBUIHGSJX-UQBPGWFLSA-N 0 3 482.690 6.432 50 0 JKAAHN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](NCCCn1ccnc1)c1ccccc1 ZINC000012566501 556064444 /nfs/dbraw/zinc/06/44/44/556064444.db2.gz UIXYDSKZHXKBFV-DEOSSOPVSA-N 0 3 488.613 5.148 50 0 JKAAHN O=C(c1ccc(OCCN2CCCCC2)cc1)[C@@H]1c2ccc(O)cc2S[C@@H]1c1ccc(O)cc1 ZINC000015919389 556067305 /nfs/dbraw/zinc/06/73/05/556067305.db2.gz IKZMTNSYXDOFJH-XTEPFMGCSA-N 0 3 475.610 5.776 50 0 in-vitro JKAAHN O=C(Nc1ccccc1O)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000012576647 556076064 /nfs/dbraw/zinc/07/60/64/556076064.db2.gz FMIFJYDTUZKGQX-UHFFFAOYSA-N 0 3 452.558 5.096 50 0 JKAAHN Cc1oc(-c2ccc(Cl)cc2)nc1CSCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000015942341 556077357 /nfs/dbraw/zinc/07/73/57/556077357.db2.gz DMUBBYXIJZVCFD-UHFFFAOYSA-N 0 3 470.038 5.317 50 0 JKAAHN Cc1cccc(NC(=O)c2c(NC(=O)CNCC(C)C)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000015946742 556083675 /nfs/dbraw/zinc/08/36/75/556083675.db2.gz PWWURYKVXYGPAU-GOSISDBHSA-N 0 3 455.668 5.644 50 0 JKAAHN CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCN5CCCC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012660506 556100817 /nfs/dbraw/zinc/10/08/17/556100817.db2.gz SKYIWOGZYIRINV-RYDHSDCGSA-N 0 3 483.737 6.578 50 0 biogenic JKAAHN Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)N4Cc5ccccc5C[C@@H]4[C@H]3C2=O)cc1 ZINC000015987466 556101387 /nfs/dbraw/zinc/10/13/87/556101387.db2.gz IHCCNYSQNVISOB-VPBXCIAMSA-N 0 3 487.397 5.045 50 0 JKAAHN c1ccc(Cn2c(CSc3nc4ccccc4s3)nnc2SCCN2CCCCC2)cc1 ZINC000012681970 556101615 /nfs/dbraw/zinc/10/16/15/556101615.db2.gz BOPVMUUHZGCFBI-UHFFFAOYSA-N 0 3 481.716 5.806 50 0 JKAAHN CC(C)(C)C(=O)[C@@H]1C(C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000015999249 556104268 /nfs/dbraw/zinc/10/42/68/556104268.db2.gz FYVWOXLHBWEHRJ-GURVGDRESA-N 0 3 494.566 5.414 50 0 JKAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000012746669 556107863 /nfs/dbraw/zinc/10/78/63/556107863.db2.gz BOURKWNWSOMPJI-UHFFFAOYSA-N 0 3 482.584 5.104 50 0 JKAAHN CC1CCN([C@@H](CNC(=O)COc2ccc(C3SCCCS3)cc2)c2cccs2)CC1 ZINC000012756834 556108247 /nfs/dbraw/zinc/10/82/47/556108247.db2.gz FSUCFKIBVDUKTL-NRFANRHFSA-N 0 3 476.733 5.585 50 0 JKAAHN CC1CCN([C@H](CNC(=O)COc2ccc(C3SCCCS3)cc2)c2cccs2)CC1 ZINC000012756842 556108256 /nfs/dbraw/zinc/10/82/56/556108256.db2.gz FSUCFKIBVDUKTL-OAQYLSRUSA-N 0 3 476.733 5.585 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1 ZINC000012869578 556120930 /nfs/dbraw/zinc/12/09/30/556120930.db2.gz VYRKVKXYQIKPGK-UHFFFAOYSA-N 0 3 460.581 5.778 50 0 biogenic JKAAHN C[C@@H](OC[C@H](O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000016043658 556123144 /nfs/dbraw/zinc/12/31/44/556123144.db2.gz ICEYOUKMGLFQNF-SKCUWOTOSA-N 0 3 480.048 5.427 50 0 JKAAHN CC1CCN([C@H](CNC(=O)c2ccccc2NC(=O)c2cccs2)c2cccs2)CC1 ZINC000012918804 556137894 /nfs/dbraw/zinc/13/78/94/556137894.db2.gz MJUHCDRVZHEYOX-HXUWFJFHSA-N 0 3 453.633 5.265 50 0 JKAAHN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000013013067 556204255 /nfs/dbraw/zinc/20/42/55/556204255.db2.gz MYEIYRBEYIAFEM-HHHXNRCGSA-N 0 3 480.612 5.174 50 0 JKAAHN O=C(NCCN1CCCC1)c1cc(-c2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000025186109 556204328 /nfs/dbraw/zinc/20/43/28/556204328.db2.gz OUKAQLOSRCUGOH-UHFFFAOYSA-N 0 3 478.021 5.142 50 0 JKAAHN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2CCCCCCC2)cc1 ZINC000025392280 556212399 /nfs/dbraw/zinc/21/23/99/556212399.db2.gz YJGBVQZHDKGUNM-NDEPHWFRSA-N 0 3 455.602 5.792 50 0 JKAAHN CCCN1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000025578284 556224395 /nfs/dbraw/zinc/22/43/95/556224395.db2.gz JXSZPRFMCVMKJY-NRFANRHFSA-N 0 3 464.824 6.392 50 0 JKAAHN CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000025782884 556234706 /nfs/dbraw/zinc/23/47/06/556234706.db2.gz TXVNNFDXQZFMBQ-XHYUFEOFSA-N 0 3 464.993 5.915 50 0 JKAAHN COC(=O)c1c2c(sc1NC(=O)COc1ccc(Cl)cc1Cl)C(C)(C)NC(C)(C)C2 ZINC000017242854 556243858 /nfs/dbraw/zinc/24/38/58/556243858.db2.gz WNAFEPLVMDNFQF-UHFFFAOYSA-N 0 3 471.406 5.018 50 0 JKAAHN COc1ccccc1[C@@H](CNc1ncnc2scc(-c3ccc(Cl)cc3)c21)N1CCCC1 ZINC000013063202 556259374 /nfs/dbraw/zinc/25/93/74/556259374.db2.gz QLUDRJWPVAVJKS-OAQYLSRUSA-N 0 3 465.022 6.269 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1F ZINC000017721142 556264192 /nfs/dbraw/zinc/26/41/92/556264192.db2.gz GFCQWPOTDVZCGL-QHAWAJNXSA-N 0 3 457.288 5.184 50 0 JKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000017884866 556269711 /nfs/dbraw/zinc/26/97/11/556269711.db2.gz QELXDQHSKNAKKE-CYXNTTPDSA-N 0 3 490.531 5.064 50 0 JKAAHN COc1ccc([C@H](CNC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)N(C)C)cc1 ZINC000013074367 556275264 /nfs/dbraw/zinc/27/52/64/556275264.db2.gz YOJVEJPEKBQUHT-UUPRAJRISA-N 0 3 494.639 5.597 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc(Br)c1 ZINC000018097905 556286907 /nfs/dbraw/zinc/28/69/07/556286907.db2.gz VPUQDMIIANHJIA-NJDAHSKKSA-N 0 3 483.749 5.154 50 0 JKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000018100081 556287633 /nfs/dbraw/zinc/28/76/33/556287633.db2.gz YCKZIYVRIPZFNG-ZLNRFVROSA-N 0 3 499.350 5.062 50 0 JKAAHN c1sc2nc(-c3ccccn3)nc(NC3CCN(Cc4ccccc4)CC3)c2c1-c1ccccc1 ZINC000013098049 556296085 /nfs/dbraw/zinc/29/60/85/556296085.db2.gz DFBITAKYNGJBTJ-UHFFFAOYSA-N 0 3 477.637 6.497 50 0 JKAAHN CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000018178138 556298349 /nfs/dbraw/zinc/29/83/49/556298349.db2.gz BTIOOIGGHNJAGI-VSKRKVRLSA-N 0 3 450.947 5.113 50 0 JKAAHN Cc1ccc(NC(=O)CSc2ccccc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000013098963 556298915 /nfs/dbraw/zinc/29/89/15/556298915.db2.gz IAGHHEMESNPJEL-UHFFFAOYSA-N 0 3 473.642 5.120 50 0 JKAAHN Cc1ccc(-c2cnn3c2nc(C)cc3N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000027585840 556300510 /nfs/dbraw/zinc/30/05/10/556300510.db2.gz IOEMPWFBGFERDH-UHFFFAOYSA-N 0 3 473.624 5.925 50 0 JKAAHN CC(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc32)N2CCCCC2)cc1 ZINC000028293387 556329597 /nfs/dbraw/zinc/32/95/97/556329597.db2.gz SHHJKMGNNRVJGQ-HKBQPEDESA-N 0 3 477.652 6.982 50 0 JKAAHN N=C1NC2=C(CCCC2=Cc2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)S1 ZINC000028293837 556329616 /nfs/dbraw/zinc/32/96/16/556329616.db2.gz AMMITHZBEDSBIV-IZLCOFNUSA-N 0 3 490.264 6.836 50 0 JKAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ccc4ccccc4n3)CC2)c1 ZINC000019224799 556336147 /nfs/dbraw/zinc/33/61/47/556336147.db2.gz KTXFSJSDCXMTES-UHFFFAOYSA-N 0 3 451.570 5.761 50 0 JKAAHN CC(=O)N1CCc2cc(C(=O)[C@@H](C)NC[C@H](c3c[nH]c4ccccc43)c3ccccc3)ccc21 ZINC000028654307 556339001 /nfs/dbraw/zinc/33/90/01/556339001.db2.gz WRLFNFFZUCMLKI-CLOONOSVSA-N 0 3 451.570 5.070 50 0 JKAAHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)NC[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000028804053 556341544 /nfs/dbraw/zinc/34/15/44/556341544.db2.gz KSTAYNRDCSOSJB-LVXARBLLSA-N 0 3 491.639 5.934 50 0 JKAAHN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000013128386 556347260 /nfs/dbraw/zinc/34/72/60/556347260.db2.gz YXUPXNDBHGSYLF-UHFFFAOYSA-N 0 3 480.612 5.001 50 0 JKAAHN COc1cc(C[N@H+](CCc2ccccc2)Cc2ccccc2)cc(I)c1[O-] ZINC000019634719 556359021 /nfs/dbraw/zinc/35/90/21/556359021.db2.gz DCACSTIGXMHTDU-UHFFFAOYSA-N 0 3 473.354 5.250 50 0 JKAAHN COc1cc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)cc(I)c1[O-] ZINC000019634719 556359022 /nfs/dbraw/zinc/35/90/22/556359022.db2.gz DCACSTIGXMHTDU-UHFFFAOYSA-N 0 3 473.354 5.250 50 0 JKAAHN O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(Cc2ccccc2)CC1 ZINC000019720755 556361843 /nfs/dbraw/zinc/36/18/43/556361843.db2.gz DDJRRLCZCHXFJP-QFIPXVFZSA-N 0 3 468.428 5.280 50 0 JKAAHN O[C@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019770617 556368065 /nfs/dbraw/zinc/36/80/65/556368065.db2.gz ZKYOLXTWDQZHCY-MHZLTWQESA-N 0 3 475.636 5.563 50 0 JKAAHN CCCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000032622865 556452763 /nfs/dbraw/zinc/45/27/63/556452763.db2.gz RNVDITLMDXCOQV-QHCPKHFHSA-N 0 3 468.981 5.122 50 0 JKAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000032622878 556452783 /nfs/dbraw/zinc/45/27/83/556452783.db2.gz YBTYKVSPERYRQV-JOCHJYFZSA-N 0 3 452.982 5.241 50 0 JKAAHN Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H]3CC4(CCN(C)CC4)Oc4ccccc43)cc12 ZINC000032676326 556469854 /nfs/dbraw/zinc/46/98/54/556469854.db2.gz MGHLDWMBWFUTQM-JOCHJYFZSA-N 0 3 472.614 5.113 50 0 JKAAHN Cc1cc(=O)c(C(=O)Nc2ccccc2CN(C)C2CCCCC2)nn1-c1ccc(Cl)cc1 ZINC000032900673 556528123 /nfs/dbraw/zinc/52/81/23/556528123.db2.gz PJGWBOUHVLAXMJ-UHFFFAOYSA-N 0 3 464.997 5.211 50 0 JKAAHN Cc1nn2c(nc(C)cc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1-c1ccc(F)cc1 ZINC000032929401 556545622 /nfs/dbraw/zinc/54/56/22/556545622.db2.gz JONYSYPEINAZEE-UHFFFAOYSA-N 0 3 491.614 6.064 50 0 JKAAHN O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953233 556568381 /nfs/dbraw/zinc/56/83/81/556568381.db2.gz HLJJXOLQSRLBLG-UHFFFAOYSA-N 0 3 454.549 5.078 50 0 JKAAHN Cc1ccc(CN2CCC(CNC(=O)c3c4ccccc4nnc3-c3ccccc3)CC2)cc1 ZINC000032953222 556568462 /nfs/dbraw/zinc/56/84/62/556568462.db2.gz CRDIRCFHKNNBGO-UHFFFAOYSA-N 0 3 450.586 5.247 50 0 JKAAHN CCCC(=O)Nc1nc2ccc(CCC(=O)NCCN3CCC(Cc4ccccc4)CC3)cc2s1 ZINC000032959428 556576418 /nfs/dbraw/zinc/57/64/18/556576418.db2.gz WLIVNWVDWHXCIO-UHFFFAOYSA-N 0 3 492.689 5.038 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC000008590242 562942570 /nfs/dbraw/zinc/94/25/70/562942570.db2.gz JCZLGELMCFHOND-HNNXBMFYSA-N 0 3 489.041 5.470 50 0 JKAAHN CCN1CCN(c2ccc(NC(=O)CCc3c(C)nc4c(-c5ccccc5)c(C)nn4c3C)cc2)CC1 ZINC000008671938 562949722 /nfs/dbraw/zinc/94/97/22/562949722.db2.gz QUFJOKCUAXSECC-UHFFFAOYSA-N 0 3 496.659 5.035 50 0 JKAAHN O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000008683680 562951831 /nfs/dbraw/zinc/95/18/31/562951831.db2.gz GEVANJBQYBIITO-UHFFFAOYSA-N 0 3 488.075 5.486 50 0 JKAAHN Cc1cccc(N(C(=O)COc2ccccc2)[C@H]2C(Oc3ccccc3)C(=O)N2c2cccc(C)c2)c1 ZINC000008439679 569589844 /nfs/dbraw/zinc/58/98/44/569589844.db2.gz RFNWERHKORQZJD-XZWHSSHBSA-N 0 3 492.575 5.536 50 0 JKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000055529441 569592056 /nfs/dbraw/zinc/59/20/56/569592056.db2.gz MIJANBHYZZWIML-UHFFFAOYSA-N 0 3 471.988 6.175 50 0 JKAAHN CC(C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)(c1ccccc1)c1ccccc1 ZINC000055531370 569592069 /nfs/dbraw/zinc/59/20/69/569592069.db2.gz HTZFZXHRLFBMFQ-UHFFFAOYSA-N 0 3 475.636 5.954 50 0 JKAAHN CCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1Br ZINC000055529342 569592077 /nfs/dbraw/zinc/59/20/77/569592077.db2.gz XFXPUTWENDOWBS-UHFFFAOYSA-N 0 3 494.433 5.422 50 0 JKAAHN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000055531429 569592141 /nfs/dbraw/zinc/59/21/41/569592141.db2.gz RGESCTBSIGTCCA-UHFFFAOYSA-N 0 3 470.400 5.577 50 0 JKAAHN Cc1ccc(C2=C(Cl)/C(=C\CN3CCCCC3)[C@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000057063780 569594216 /nfs/dbraw/zinc/59/42/16/569594216.db2.gz JLYVNNLQOSECGB-FHMSYZJOSA-N 0 3 456.029 7.539 50 0 JKAAHN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057215316 569594707 /nfs/dbraw/zinc/59/47/07/569594707.db2.gz COGSFTBTWFSJDT-UHFFFAOYSA-N 0 3 470.400 5.333 50 0 JKAAHN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000057314338 569596925 /nfs/dbraw/zinc/59/69/25/569596925.db2.gz OINFTWJIKATQLV-UHFFFAOYSA-N 0 3 472.658 5.259 50 0 JKAAHN COCc1c2ccccc2oc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057350554 569599114 /nfs/dbraw/zinc/59/91/14/569599114.db2.gz UWIIORHICHTTNK-UHFFFAOYSA-N 0 3 455.558 5.154 50 0 JKAAHN COc1ccc(Nc2c3cc(NC(=O)/C(C)=C\c4ccccc4)ccc3nc3c2CCCC3)cc1OC ZINC000032974107 569605273 /nfs/dbraw/zinc/60/52/73/569605273.db2.gz ROJVVWKWDGFFNJ-JZJYNLBNSA-N 0 3 493.607 6.916 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983556 569606917 /nfs/dbraw/zinc/60/69/17/569606917.db2.gz QUWBYDBPAZRWHN-WGOQTCKBSA-N 0 3 487.987 5.106 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983872 569607137 /nfs/dbraw/zinc/60/71/37/569607137.db2.gz LHLASBUEWIEYMC-ONUIUJJFSA-N 0 3 487.987 5.106 50 0 JKAAHN CC[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983918 569607201 /nfs/dbraw/zinc/60/72/01/569607201.db2.gz CSEGIVFAYHEHFO-JMTCZITHSA-N 0 3 490.003 5.352 50 0 JKAAHN COc1ccc(CN2CCC(CNC(=O)c3ccccc3SCc3c(C)noc3C)CC2)cc1 ZINC000060185746 569608539 /nfs/dbraw/zinc/60/85/39/569608539.db2.gz SMHDGLCZRMNASZ-UHFFFAOYSA-N 0 3 479.646 5.234 50 0 JKAAHN CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C=C12 ZINC000061997015 569609756 /nfs/dbraw/zinc/60/97/56/569609756.db2.gz OTJIEBRBPKGBEQ-AFFJLAOCSA-N 0 3 460.540 5.062 50 0 biogenic JKAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)[C@H]3C=C12 ZINC000061997599 569609872 /nfs/dbraw/zinc/60/98/72/569609872.db2.gz GSMYBZVVBLIYIV-YQIZHETESA-N 0 3 463.449 5.430 50 0 biogenic JKAAHN Cc1ccc(-c2ccc(Nc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)nn2)cc1 ZINC000032995668 569610242 /nfs/dbraw/zinc/61/02/42/569610242.db2.gz OIVBKWJNFKRPEF-UHFFFAOYSA-N 0 3 477.612 5.590 50 0 JKAAHN CCN(CCNC(=O)c1cccc(Nc2ccc(-c3cccc(C)c3)nn2)c1)Cc1ccccc1 ZINC000032996944 569610828 /nfs/dbraw/zinc/61/08/28/569610828.db2.gz SREXENRNLADIIC-UHFFFAOYSA-N 0 3 465.601 5.448 50 0 JKAAHN Cc1c(C[NH2+]CCCN(Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000063666796 569615910 /nfs/dbraw/zinc/61/59/10/569615910.db2.gz MDLLTXAZVCQAGB-UHFFFAOYSA-N 0 3 475.677 5.859 50 0 JKAAHN c1ccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC2CCCCC2)cc1 ZINC000064746109 569625201 /nfs/dbraw/zinc/62/52/01/569625201.db2.gz XAWNFWKXJOWUOW-UHFFFAOYSA-N 0 3 464.683 5.657 50 0 JKAAHN Cc1ccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC2CCCCC2)cc1C ZINC000064746105 569625206 /nfs/dbraw/zinc/62/52/06/569625206.db2.gz GTWFPNOMOMOMCT-UHFFFAOYSA-N 0 3 492.737 6.274 50 0 JKAAHN Clc1cccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC2CCCCC2)c1 ZINC000064746103 569625208 /nfs/dbraw/zinc/62/52/08/569625208.db2.gz LWOGPXCHBOQNIM-UHFFFAOYSA-N 0 3 499.128 6.311 50 0 JKAAHN Cc1cccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC2CCCCCC2)c1 ZINC000064746115 569625319 /nfs/dbraw/zinc/62/53/19/569625319.db2.gz GKAVVRXPZBBUOU-UHFFFAOYSA-N 0 3 492.737 6.356 50 0 JKAAHN COc1ccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064746124 569625384 /nfs/dbraw/zinc/62/53/84/569625384.db2.gz KGNDLDYZPLIACD-UHFFFAOYSA-N 0 3 468.671 5.132 50 0 JKAAHN Cc1ccc(Cn2cc([C@@H](CC(=O)NCCN(C)C)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000033784434 569634860 /nfs/dbraw/zinc/63/48/60/569634860.db2.gz NQGMAITWKVJPGC-SANMLTNESA-N 0 3 457.593 5.337 50 0 JKAAHN c1ccc(COc2ccccc2O[C@@H](CCN2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1 ZINC000033876656 569636937 /nfs/dbraw/zinc/63/69/37/569636937.db2.gz NOVKCRPJQZXSJH-HKBQPEDESA-N 0 3 492.663 6.594 50 0 JKAAHN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCC(C)C ZINC000034671629 569640780 /nfs/dbraw/zinc/64/07/80/569640780.db2.gz CAERHAIDLRUAHF-KYJUHHDHSA-N 0 3 470.657 6.072 50 0 JKAAHN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669610 569640791 /nfs/dbraw/zinc/64/07/91/569640791.db2.gz YNHMAMILAZCHDB-RCZVLFRGSA-N 0 3 470.510 6.114 50 0 JKAAHN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCC(C)C ZINC000034671631 569640794 /nfs/dbraw/zinc/64/07/94/569640794.db2.gz CAERHAIDLRUAHF-IHLOFXLRSA-N 0 3 470.657 6.072 50 0 JKAAHN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1)CC2)C(=O)NCc1ccncc1 ZINC000034671574 569640826 /nfs/dbraw/zinc/64/08/26/569640826.db2.gz POXGBABHUZQVAD-CONSDPRKSA-N 0 3 491.635 5.703 50 0 JKAAHN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NC(C)C ZINC000034671677 569640922 /nfs/dbraw/zinc/64/09/22/569640922.db2.gz WSKMESBHYOFRMV-FQLXRVMXSA-N 0 3 456.630 5.825 50 0 JKAAHN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccco1 ZINC000034671653 569641007 /nfs/dbraw/zinc/64/10/07/569641007.db2.gz WIGVXPPVVIUFFQ-IOWSJCHKSA-N 0 3 494.635 6.210 50 0 JKAAHN Cc1ccccc1C(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCCN2CCCCC2)cc1 ZINC000034680030 569642892 /nfs/dbraw/zinc/64/28/92/569642892.db2.gz IEPDJTVJVBSHRK-UHFFFAOYSA-N 0 3 487.619 5.126 50 0 JKAAHN Cc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)cc1 ZINC000034681628 569643363 /nfs/dbraw/zinc/64/33/63/569643363.db2.gz JWWMFAVVDJJZGR-UHFFFAOYSA-N 0 3 456.634 5.652 50 0 JKAAHN O=C(Nc1ccc(N2CCCN(Cc3ccccc3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681953 569643821 /nfs/dbraw/zinc/64/38/21/569643821.db2.gz CIZVFGNTOCOPCC-UHFFFAOYSA-N 0 3 454.496 5.065 50 0 JKAAHN CC(C)c1ccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4C(F)(F)F)cn3)CC2)cc1 ZINC000034681956 569643850 /nfs/dbraw/zinc/64/38/50/569643850.db2.gz BKKFLFDTPDUZIH-UHFFFAOYSA-N 0 3 496.577 6.188 50 0 JKAAHN COc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000034682598 569643929 /nfs/dbraw/zinc/64/39/29/569643929.db2.gz WUBFMNLXNQNRFC-UHFFFAOYSA-N 0 3 460.593 6.269 50 0 JKAAHN O=C(c1cccs1)N1C[C@@H](CN2CCN(c3ccccc3)CC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698057 569647656 /nfs/dbraw/zinc/64/76/56/569647656.db2.gz MQMSXNNVFXTIQT-QPPBQGQZSA-N 0 3 499.602 5.445 50 0 JKAAHN COc1ccccc1[C@@H]1CN(Cc2cccc(C)n2)C[C@H]1CN(CC(C)C)C(=O)c1ccccc1 ZINC000034698905 569647953 /nfs/dbraw/zinc/64/79/53/569647953.db2.gz HYBPGDRJOJZFDT-LBNVMWSVSA-N 0 3 471.645 5.413 50 0 JKAAHN Cc1ccccc1[C@H]1CN(Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698885 569647997 /nfs/dbraw/zinc/64/79/97/569647997.db2.gz KUWZPYDMNUZOKM-IRPSRAIASA-N 0 3 455.646 6.014 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3ccco3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698912 569648362 /nfs/dbraw/zinc/64/83/62/569648362.db2.gz QFSXUIVQGITYFC-WNCULLNHSA-N 0 3 464.581 5.441 50 0 JKAAHN CC(C)N(C[C@H]1CN(Cc2cccc(F)c2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000034699061 569648453 /nfs/dbraw/zinc/64/84/53/569648453.db2.gz BTRKLAUCLBCPNJ-YIXXDRMTSA-N 0 3 466.547 5.870 50 0 JKAAHN COc1ccccc1[C@@H]1CN(Cc2ccc(C)o2)C[C@@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000034699228 569648466 /nfs/dbraw/zinc/64/84/66/569648466.db2.gz UUULAZICRIRMQA-SHQCIBLASA-N 0 3 460.618 5.497 50 0 JKAAHN Cc1ccsc1CN1CCN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CC1 ZINC000034707886 569650170 /nfs/dbraw/zinc/65/01/70/569650170.db2.gz IWOYVYKXLZCYTN-UHFFFAOYSA-N 0 3 481.050 5.352 50 0 JKAAHN Cn1cccc1CN1CCCN(c2nc3cc(Cl)ccc3c3nnc(C4CCCCC4)n32)CC1 ZINC000034707929 569650175 /nfs/dbraw/zinc/65/01/75/569650175.db2.gz RKKUVWYYSRWOSB-UHFFFAOYSA-N 0 3 478.044 5.029 50 0 JKAAHN Cc1ccc(CN2CCCN(c3nc4cc(Cl)ccc4c4nnc(-c5cccs5)n43)CC2)o1 ZINC000034707912 569650203 /nfs/dbraw/zinc/65/02/03/569650203.db2.gz GBQIXWJMIPVYQW-UHFFFAOYSA-N 0 3 479.009 5.273 50 0 JKAAHN COc1ccc(CCNC(=O)[C@@H]2C[C@@H](c3cccc(C)c3)CN(Cc3ccccc3F)C2)cc1 ZINC000034711428 569650833 /nfs/dbraw/zinc/65/08/33/569650833.db2.gz LCEMTHGHRHBMCJ-CLJLJLNGSA-N 0 3 460.593 5.107 50 0 JKAAHN COc1ccc(CCNC(=O)[C@H]2C[C@H](c3cccc(C)c3)CN(Cc3ccccc3F)C2)cc1 ZINC000034711427 569650875 /nfs/dbraw/zinc/65/08/75/569650875.db2.gz LCEMTHGHRHBMCJ-UIOOFZCWSA-N 0 3 460.593 5.107 50 0 JKAAHN CC(=O)N1CCc2cc(-c3ccc(C(=O)NCC4CCN(Cc5ccccc5F)CC4)cc3)ccc21 ZINC000065027019 569651623 /nfs/dbraw/zinc/65/16/23/569651623.db2.gz SDCJLDVBOUBZOX-UHFFFAOYSA-N 0 3 485.603 5.044 50 0 JKAAHN COc1cc(CN2C[C@H](C(=O)N[C@@H](C)c3ccccc3)C[C@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000034716729 569651668 /nfs/dbraw/zinc/65/16/68/569651668.db2.gz HVCVFPRPDMCTRX-OUIFVKKZSA-N 0 3 490.619 5.634 50 0 JKAAHN O=C(NCc1cccc(F)c1)[C@@H]1C[C@H](c2ccc(F)cc2)CN(Cc2ccc(F)cc2F)C1 ZINC000034716756 569651726 /nfs/dbraw/zinc/65/17/26/569651726.db2.gz QQDBQAHLJNTDJQ-LEWJYISDSA-N 0 3 456.483 5.165 50 0 JKAAHN Cc1cc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)CN(Cc3ccccc3Cl)C2)ccc1F ZINC000034716688 569651751 /nfs/dbraw/zinc/65/17/51/569651751.db2.gz RXVYFVAAOOIJSL-BUUDZMLXSA-N 0 3 465.012 6.271 50 0 JKAAHN COc1cc(CN2C[C@H](C(=O)N[C@@H](C)c3ccccc3)C[C@@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000034716728 569651754 /nfs/dbraw/zinc/65/17/54/569651754.db2.gz HVCVFPRPDMCTRX-RMUDUWAUSA-N 0 3 490.619 5.634 50 0 JKAAHN COc1ccc(NC(=O)[C@H]2C[C@H](c3ccc(F)c(C)c3)CN(Cc3ccccc3Cl)C2)cc1 ZINC000034716683 569651779 /nfs/dbraw/zinc/65/17/79/569651779.db2.gz ZAXWZCNDEVHJJM-VXKWHMMOSA-N 0 3 466.984 6.041 50 0 JKAAHN Cc1cc([C@@H]2C[C@H](C(=O)N(C)Cc3ccccc3)CN(Cc3ccccc3Cl)C2)ccc1F ZINC000034716824 569651860 /nfs/dbraw/zinc/65/18/60/569651860.db2.gz UYJWXNNRHYKFDR-RPBOFIJWSA-N 0 3 465.012 6.052 50 0 JKAAHN Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c(C2CCN(Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034726144 569652788 /nfs/dbraw/zinc/65/27/88/569652788.db2.gz ZPEPETZSKKWWOK-GGXMVOPNSA-N 0 3 473.705 6.688 50 0 JKAAHN Cc1ccc(C(=O)NCc2ccccc2C)c(C2CCN(Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034726092 569652818 /nfs/dbraw/zinc/65/28/18/569652818.db2.gz QLLCXRYBBIPSGU-UHFFFAOYSA-N 0 3 455.646 6.131 50 0 JKAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN(Cc3ccc(F)cc3F)C2)c(OC)c1 ZINC000034733445 569653547 /nfs/dbraw/zinc/65/35/47/569653547.db2.gz JVMLLBZFXANGEU-NHCUHLMSSA-N 0 3 466.528 5.226 50 0 JKAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055125 569654041 /nfs/dbraw/zinc/65/40/41/569654041.db2.gz IFMSRKTYOQOYMY-HXUWFJFHSA-N 0 3 478.612 6.059 50 0 JKAAHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](c3ccccc3)N(Cc3cccc(Cl)c3)C2)C1 ZINC000034739932 569655065 /nfs/dbraw/zinc/65/50/65/569655065.db2.gz YJDWVSYNFLLGEO-JBRSBNLGSA-N 0 3 469.025 5.095 50 0 JKAAHN CCCCOc1ccc(CNC(=O)C2CCN(Cc3cn(C)c4ccc(Cl)cc34)CC2)cc1 ZINC000065060104 569655176 /nfs/dbraw/zinc/65/51/76/569655176.db2.gz XXUQZWZCQGVICF-UHFFFAOYSA-N 0 3 468.041 5.539 50 0 JKAAHN COc1ccc([C@H](CCN2CCN(c3ccccc3C)CC2)Oc2ccc(C(C)C)cc2)cc1 ZINC000034740042 569655175 /nfs/dbraw/zinc/65/51/75/569655175.db2.gz LXIAKZNJOVYIQA-PMERELPUSA-N 0 3 458.646 6.459 50 0 JKAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)C[C@H](C)CC2 ZINC000034805238 569661246 /nfs/dbraw/zinc/66/12/46/569661246.db2.gz JFEMLVUKXMCDEG-KHJUYBBWSA-N 0 3 472.695 5.571 50 0 JKAAHN CCN1CCN(c2c(CN(Cc3ccsc3)CC(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835952 569665090 /nfs/dbraw/zinc/66/50/90/569665090.db2.gz RTNKWURXMSJJEK-UHFFFAOYSA-N 0 3 469.674 5.181 50 0 JKAAHN CCN1CCN(c2c(CN(Cc3ccc(C)cc3)C(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836388 569665198 /nfs/dbraw/zinc/66/51/98/569665198.db2.gz RVDMTVKTOQBPHM-UHFFFAOYSA-N 0 3 463.645 5.181 50 0 JKAAHN CCN1CCN(c2c(CN(Cc3cccc(OC)c3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836373 569665331 /nfs/dbraw/zinc/66/53/31/569665331.db2.gz GKWIKLAZWSZADV-UHFFFAOYSA-N 0 3 493.671 5.129 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1)Cc1ccc(C)cc1C ZINC000034836410 569665537 /nfs/dbraw/zinc/66/55/37/569665537.db2.gz RUACSUVOFHMWQL-XMMPIXPASA-N 0 3 491.699 5.879 50 0 JKAAHN CCCc1nn(-c2cccc(F)c2)c(N2CCN(CC)CC2)c1CN(Cc1ccoc1)CC(C)C ZINC000034836534 569665553 /nfs/dbraw/zinc/66/55/53/569665553.db2.gz GIZVXZOCRDIJBQ-UHFFFAOYSA-N 0 3 481.660 5.357 50 0 JKAAHN CCCc1nn(-c2cccc(F)c2)c(N2CCN(CC)CC2)c1CN(CC)Cc1ccc(CC)cc1 ZINC000034836601 569665654 /nfs/dbraw/zinc/66/56/54/569665654.db2.gz IOUXLXREGLIUIG-UHFFFAOYSA-N 0 3 491.699 5.690 50 0 JKAAHN CCCc1nn(-c2cccc(F)c2)c(N2CCN(CC)CC2)c1CN(Cc1ccc(C)s1)C(C)C ZINC000034836562 569665670 /nfs/dbraw/zinc/66/56/70/569665670.db2.gz ANASBTGQFYGNQO-UHFFFAOYSA-N 0 3 497.728 5.886 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CC)Cc1ccc(CC)cc1 ZINC000034836788 569665878 /nfs/dbraw/zinc/66/58/78/569665878.db2.gz NHPSIRPLCSJTRR-UHFFFAOYSA-N 0 3 459.682 5.079 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(C[C@@H](C)c1ccccc1)C1CC1 ZINC000034836679 569665908 /nfs/dbraw/zinc/66/59/08/569665908.db2.gz CUCBDWNYHIYURQ-XMMPIXPASA-N 0 3 471.693 5.263 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(Cc1sccc1C)C(C)C ZINC000034836633 569665979 /nfs/dbraw/zinc/66/59/79/569665979.db2.gz WQAOIONEYDWOBT-UHFFFAOYSA-N 0 3 465.711 5.275 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(Cc1cc(C)ccc1C)C(C)C ZINC000034836658 569666026 /nfs/dbraw/zinc/66/60/26/569666026.db2.gz ITGSHSSVWPVFQO-UHFFFAOYSA-N 0 3 473.709 5.522 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CC)Cc1cc(C)ccc1C ZINC000034836780 569666038 /nfs/dbraw/zinc/66/60/38/569666038.db2.gz VGZWXURHOJOXLP-UHFFFAOYSA-N 0 3 459.682 5.134 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(C[C@H](C)c1ccccc1)C(C)C ZINC000034836640 569666076 /nfs/dbraw/zinc/66/60/76/569666076.db2.gz KHJMSQMYBHSWIX-VWLOTQADSA-N 0 3 473.709 5.509 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CCCc1ccccc1)C1CC1 ZINC000034836673 569666117 /nfs/dbraw/zinc/66/61/17/569666117.db2.gz WTBNTHOWLWEXFF-UHFFFAOYSA-N 0 3 471.693 5.092 50 0 JKAAHN CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(Cc1ccc(C)cc1C)C(C)C ZINC000034836844 569666141 /nfs/dbraw/zinc/66/61/41/569666141.db2.gz NOSAYHLSHMFARR-UHFFFAOYSA-N 0 3 473.709 5.604 50 0 JKAAHN CCCN(Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1ccc(CC)cc1 ZINC000034836934 569666256 /nfs/dbraw/zinc/66/62/56/569666256.db2.gz ILJOIBFMHJKJSA-UHFFFAOYSA-N 0 3 473.709 5.551 50 0 JKAAHN CCCN(Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1cccc(Cl)c1 ZINC000034836902 569666499 /nfs/dbraw/zinc/66/64/99/569666499.db2.gz HFGHRCGKQFQXNL-UHFFFAOYSA-N 0 3 480.100 5.642 50 0 JKAAHN Cc1ccc(N(C)c2nc(-c3ccccc3)ncc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000034922109 569672752 /nfs/dbraw/zinc/67/27/52/569672752.db2.gz FXCXTDJWIUNYFD-UHFFFAOYSA-N 0 3 491.639 5.614 50 0 JKAAHN COc1ccc2cc3cc(C(=O)NCC4CCN(Cc5cccc(F)c5)CC4)sc3nc2c1Cl ZINC000065330833 569674841 /nfs/dbraw/zinc/67/48/41/569674841.db2.gz ZOQJLBOUPIRYLV-UHFFFAOYSA-N 0 3 498.023 5.893 50 0 JKAAHN COc1ccc2cc3cc(C(=O)NCC4CCN(Cc5ccc(C)cc5)CC4)sc3nc2c1Cl ZINC000065330824 569674877 /nfs/dbraw/zinc/67/48/77/569674877.db2.gz OXCFKMJGBCGACN-UHFFFAOYSA-N 0 3 494.060 6.062 50 0 JKAAHN CC(C)c1c(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000068787547 569692174 /nfs/dbraw/zinc/69/21/74/569692174.db2.gz SGGICGDAXHWBSV-OAQYLSRUSA-N 0 3 485.554 5.194 50 0 JKAAHN CC(C)c1c(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000068787545 569692195 /nfs/dbraw/zinc/69/21/95/569692195.db2.gz SGGICGDAXHWBSV-NRFANRHFSA-N 0 3 485.554 5.194 50 0 JKAAHN CC1CCN(C(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)CC1 ZINC000035451420 569696850 /nfs/dbraw/zinc/69/68/50/569696850.db2.gz RMHKNRNKYWHNQF-UHFFFAOYSA-N 0 3 464.053 5.814 50 0 JKAAHN COc1ccc(CCN[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1OC ZINC000035518796 569698702 /nfs/dbraw/zinc/69/87/02/569698702.db2.gz KVKVTXXHHKHGET-QHCPKHFHSA-N 0 3 492.925 5.888 50 0 JKAAHN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n[nH]1 ZINC000072331259 569702840 /nfs/dbraw/zinc/70/28/40/569702840.db2.gz TZPCZQWGCREBNU-UHFFFAOYSA-N 0 3 494.639 5.803 50 0 JKAAHN COc1cccc(Cn2ncc3ccc(C(=O)NCC4CCN(Cc5ccc(C)cc5)CC4)cc32)c1 ZINC000035559992 569704099 /nfs/dbraw/zinc/70/40/99/569704099.db2.gz SOJSYILNOLPNGJ-UHFFFAOYSA-N 0 3 482.628 5.044 50 0 JKAAHN Cc1ccc(C)c(N2CCN(C(=O)C3CCN(Cc4cn(C)c5ccc(Cl)cc45)CC3)CC2)c1 ZINC000035562276 569704840 /nfs/dbraw/zinc/70/48/40/569704840.db2.gz VTEKVTNIBWGZNX-UHFFFAOYSA-N 0 3 479.068 5.009 50 0 JKAAHN Cc1cccc(CN(C(=O)Nc2ccc(Br)cc2)C2CCN(Cc3ccccc3)CC2)n1 ZINC000035686851 569706874 /nfs/dbraw/zinc/70/68/74/569706874.db2.gz HCHMGCJRDXNSMV-UHFFFAOYSA-N 0 3 493.449 5.851 50 0 JKAAHN Cc1cccc(-c2nccc(Nc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)n2)c1 ZINC000085649356 569712354 /nfs/dbraw/zinc/71/23/54/569712354.db2.gz CQGMTVIHTVRKEA-UHFFFAOYSA-N 0 3 477.612 5.590 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649738 569712382 /nfs/dbraw/zinc/71/23/82/569712382.db2.gz HIYXRDJXSKBORV-UHFFFAOYSA-N 0 3 481.575 5.421 50 0 JKAAHN CN(CCCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1)Cc1ccccc1 ZINC000085649736 569712398 /nfs/dbraw/zinc/71/23/98/569712398.db2.gz IROBRDUGJSJQIO-UHFFFAOYSA-N 0 3 469.564 5.278 50 0 JKAAHN CN(C)c1ccc(C2=NO[C@H](CN(Cc3ccccc3)C(=O)Nc3cccc4ccccc43)C2)cc1 ZINC000035835981 569713531 /nfs/dbraw/zinc/71/35/31/569713531.db2.gz XHYAQIBZQDUMTM-SANMLTNESA-N 0 3 478.596 6.133 50 0 JKAAHN COc1ccc(OC[C@@H](O)CN(Cc2cccn2Cc2ccccc2)CC2CCCCC2)cc1 ZINC000035840455 569713800 /nfs/dbraw/zinc/71/38/00/569713800.db2.gz WEHJCTGSVGTPCK-MHZLTWQESA-N 0 3 462.634 5.367 50 0 JKAAHN COc1cccc(Cn2cccc2CN(C[C@@H](O)COCc2ccco2)CC2CCCCC2)c1 ZINC000035840868 569713928 /nfs/dbraw/zinc/71/39/28/569713928.db2.gz NMNVSEUYZRJBBV-AREMUKBSSA-N 0 3 466.622 5.098 50 0 JKAAHN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](C)O ZINC000035842637 569714102 /nfs/dbraw/zinc/71/41/02/569714102.db2.gz BDUKVGJIEFBJPW-QHCPKHFHSA-N 0 3 477.693 5.520 50 0 JKAAHN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](C)O ZINC000035842635 569714124 /nfs/dbraw/zinc/71/41/24/569714124.db2.gz BDUKVGJIEFBJPW-HSZRJFAPSA-N 0 3 477.693 5.520 50 0 JKAAHN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)(C)CO ZINC000035842655 569714210 /nfs/dbraw/zinc/71/42/10/569714210.db2.gz LMQFRKUBRHXOEI-UHFFFAOYSA-N 0 3 491.720 5.766 50 0 JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000035844054 569714682 /nfs/dbraw/zinc/71/46/82/569714682.db2.gz BHILAFPBTYDLPB-NSBPXKJOSA-N 0 3 496.994 5.601 50 0 JKAAHN CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1 ZINC000035844786 569715354 /nfs/dbraw/zinc/71/53/54/569715354.db2.gz QJGTYLASPWQGQI-DEOSSOPVSA-N 0 3 474.689 6.758 50 0 JKAAHN CCn1cc([C@H](CC(=O)NCCN2CCCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035872198 569719188 /nfs/dbraw/zinc/71/91/88/569719188.db2.gz XPKLZMJZVGCHQD-MUUNZHRXSA-N 0 3 481.640 6.188 50 0 JKAAHN CCn1cc([C@@H](CC(=O)NCCN(C)C)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035872213 569719230 /nfs/dbraw/zinc/71/92/30/569719230.db2.gz INFYYDBXROIOSW-SANMLTNESA-N 0 3 455.602 5.653 50 0 JKAAHN CCn1cc([C@@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)c2cccc(F)c2)c2ccccc21 ZINC000035872411 569719345 /nfs/dbraw/zinc/71/93/45/569719345.db2.gz RGQWANKDORVIDI-NDEPHWFRSA-N 0 3 483.631 6.103 50 0 JKAAHN CCN(CC)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992815 569721396 /nfs/dbraw/zinc/72/13/96/569721396.db2.gz YKNJBBHAFUOKTL-HSZRJFAPSA-N 0 3 477.605 5.223 50 0 JKAAHN CCc1cccc2c([C@@H](CC(=O)NC3CCN(Cc4ccccc4)CC3)c3cccc(OC)c3)c[nH]c21 ZINC000035889317 569721617 /nfs/dbraw/zinc/72/16/17/569721617.db2.gz IKSPZIGPZLLOLT-LJAQVGFWSA-N 0 3 495.667 6.042 50 0 JKAAHN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2)cc1)NCCN1CCCC1 ZINC000035910592 569725937 /nfs/dbraw/zinc/72/59/37/569725937.db2.gz NTCQHTUEWNHMEH-MHZLTWQESA-N 0 3 467.613 5.481 50 0 JKAAHN Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc54)cc3)cc2)nc(N)n1 ZINC000095591603 569727884 /nfs/dbraw/zinc/72/78/84/569727884.db2.gz QSYLKMKIVWJAAK-UHFFFAOYSA-N 0 3 461.529 5.655 50 0 in-vitro JKAAHN Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](NCCCc2ccccc2)c2ccccc2)cc1 ZINC000095627008 569728335 /nfs/dbraw/zinc/72/83/35/569728335.db2.gz NLBYDBVUJVOSPI-KYJUHHDHSA-N 0 3 484.665 5.978 50 0 JKAAHN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(Cc3cccc(C)c3)CC2)n1 ZINC000035926135 569729551 /nfs/dbraw/zinc/72/95/51/569729551.db2.gz WDGUONBBRQTNPY-QHCPKHFHSA-N 0 3 468.649 5.740 50 0 JKAAHN Fc1ccc(C(CCCN2CC=C(Oc3cccc(Cl)c3)CC2)c2ccc(F)cc2)cc1 ZINC000095918151 569729590 /nfs/dbraw/zinc/72/95/90/569729590.db2.gz UQKJCLZKRJHRBD-UHFFFAOYSA-N 0 3 453.960 7.199 50 0 JKAAHN O=C(COc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1)CC2)NCc1ccco1 ZINC000096280548 569740037 /nfs/dbraw/zinc/74/00/37/569740037.db2.gz UEYGUVPBPJQZSD-LJAQVGFWSA-N 0 3 452.554 5.123 50 0 JKAAHN c1ccc(CCc2nc3ccccc3c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000096562255 569741086 /nfs/dbraw/zinc/74/10/86/569741086.db2.gz CBERYMKQARFMTF-UHFFFAOYSA-N 0 3 484.647 6.327 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@H](O)COc1ccccc1C ZINC000036246074 569757790 /nfs/dbraw/zinc/75/77/90/569757790.db2.gz ABXFPLRSAYUOOH-QHCPKHFHSA-N 0 3 451.611 5.148 50 0 JKAAHN CCN(CC)c1onc(-c2ccccc2)c1CN(CCN(C)C)C(=S)Nc1ccc(F)cc1 ZINC000036249671 569757985 /nfs/dbraw/zinc/75/79/85/569757985.db2.gz LNSHNDRFBQODAZ-UHFFFAOYSA-N 0 3 469.630 5.088 50 0 JKAAHN CCC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036302633 569759243 /nfs/dbraw/zinc/75/92/43/569759243.db2.gz RVAHLXMRIPIOQL-HSZRJFAPSA-N 0 3 463.622 5.609 50 0 JKAAHN O[C@H](COCc1ccccc1)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313039 569760587 /nfs/dbraw/zinc/76/05/87/569760587.db2.gz VVZSJFRVSLCXGE-SANMLTNESA-N 0 3 475.633 5.122 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036313767 569760898 /nfs/dbraw/zinc/76/08/98/569760898.db2.gz BBASYPJQGABNCU-QFIPXVFZSA-N 0 3 468.041 6.296 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036313768 569761047 /nfs/dbraw/zinc/76/10/47/569761047.db2.gz BBASYPJQGABNCU-JOCHJYFZSA-N 0 3 468.041 6.296 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036313811 569761091 /nfs/dbraw/zinc/76/10/91/569761091.db2.gz GLOLDEWTLYMMSI-HSZRJFAPSA-N 0 3 483.628 5.654 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036313826 569761112 /nfs/dbraw/zinc/76/11/12/569761112.db2.gz MWNNOYITAPLERS-HSZRJFAPSA-N 0 3 451.586 5.782 50 0 JKAAHN CCCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313791 569761124 /nfs/dbraw/zinc/76/11/24/569761124.db2.gz IHLKAKMFSJLGDE-QFIPXVFZSA-N 0 3 451.611 5.651 50 0 JKAAHN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@@H](C)CC ZINC000036313786 569761176 /nfs/dbraw/zinc/76/11/76/569761176.db2.gz WOKWODHSXXCWSG-UPVQGACJSA-N 0 3 495.664 5.666 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036313854 569761295 /nfs/dbraw/zinc/76/12/95/569761295.db2.gz KUDMUSRMNWNHDN-XMMPIXPASA-N 0 3 498.067 6.398 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036313965 569761563 /nfs/dbraw/zinc/76/15/63/569761563.db2.gz KCUBESSYGYLPHH-RUZDIDTESA-N 0 3 477.649 5.577 50 0 JKAAHN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C ZINC000036313942 569761638 /nfs/dbraw/zinc/76/16/38/569761638.db2.gz GCYFPYNIVQXXQN-DEOSSOPVSA-N 0 3 495.664 5.524 50 0 JKAAHN CCCCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313977 569761647 /nfs/dbraw/zinc/76/16/47/569761647.db2.gz PKGZUROPKIDHPM-HSZRJFAPSA-N 0 3 469.601 5.408 50 0 JKAAHN CCCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313957 569761695 /nfs/dbraw/zinc/76/16/95/569761695.db2.gz ZLFGSBPHIXHLTH-QFIPXVFZSA-N 0 3 451.611 5.651 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036313988 569761716 /nfs/dbraw/zinc/76/17/16/569761716.db2.gz KCVDXCKDGCCBLP-HSZRJFAPSA-N 0 3 451.586 5.782 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036316142 569762021 /nfs/dbraw/zinc/76/20/21/569762021.db2.gz OPEUVIURUDOUIA-NRFANRHFSA-N 0 3 473.564 5.156 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036316050 569762131 /nfs/dbraw/zinc/76/21/31/569762131.db2.gz RIOONBJEGWZJFK-QHCPKHFHSA-N 0 3 451.611 5.186 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)C ZINC000036316214 569762365 /nfs/dbraw/zinc/76/23/65/569762365.db2.gz KQYJAQZLNOMSBI-GGAORHGYSA-N 0 3 451.611 5.266 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036316462 569763059 /nfs/dbraw/zinc/76/30/59/569763059.db2.gz IQDXOQYCDKHBQD-QFIPXVFZSA-N 0 3 469.601 5.222 50 0 JKAAHN COc1cccc(Oc2c(CN(CC(C)C)C[C@@H](O)COCC(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341965 569764982 /nfs/dbraw/zinc/76/49/82/569764982.db2.gz CIRNCRLJAJVLEO-RUZDIDTESA-N 0 3 495.664 5.473 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(CC(C)C)C[C@H](O)COC(C)C ZINC000036342022 569765071 /nfs/dbraw/zinc/76/50/71/569765071.db2.gz GMQXMKFODAEIIW-DEOSSOPVSA-N 0 3 469.601 5.356 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341958 569765101 /nfs/dbraw/zinc/76/51/01/569765101.db2.gz IHKRJLAVVOSWHV-RUZDIDTESA-N 0 3 495.664 5.617 50 0 JKAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)cc1 ZINC000100722308 569768013 /nfs/dbraw/zinc/76/80/13/569768013.db2.gz GXUHEPJLCPFTAK-BHDDXSALSA-N 0 3 469.324 5.053 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036345823 569768327 /nfs/dbraw/zinc/76/83/27/569768327.db2.gz KVAVRNVXBLSTPT-RDGATRHJSA-N 0 3 479.665 6.058 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)C ZINC000036345822 569768342 /nfs/dbraw/zinc/76/83/42/569768342.db2.gz WKONNEUVQSFMJK-DHLKQENFSA-N 0 3 465.638 5.668 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(CC(C)C)C[C@@H](O)COCC(C)C ZINC000036345836 569768372 /nfs/dbraw/zinc/76/83/72/569768372.db2.gz YVGZSAAFIAECJM-AREMUKBSSA-N 0 3 479.665 5.773 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(CC(C)C)C[C@H](O)COCC(C)C ZINC000036345835 569768398 /nfs/dbraw/zinc/76/83/98/569768398.db2.gz YVGZSAAFIAECJM-SANMLTNESA-N 0 3 479.665 5.773 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036345841 569768401 /nfs/dbraw/zinc/76/84/01/569768401.db2.gz XLEHWMAEYDICLC-VWLOTQADSA-N 0 3 479.665 5.915 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036345963 569768675 /nfs/dbraw/zinc/76/86/75/569768675.db2.gz MSZKJAUIGRUQGM-AREMUKBSSA-N 0 3 487.619 6.174 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CC(C)C)C[C@@H](O)COCC(C)C ZINC000036345966 569768706 /nfs/dbraw/zinc/76/87/06/569768706.db2.gz DNTZGCMDGLWPII-XMMPIXPASA-N 0 3 483.628 5.604 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346211 569769186 /nfs/dbraw/zinc/76/91/86/569769186.db2.gz DINYZNJWZXOZFM-DEOSSOPVSA-N 0 3 453.602 6.121 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036346220 569769324 /nfs/dbraw/zinc/76/93/24/569769324.db2.gz XLQWLJIEIXNCLP-MHZLTWQESA-N 0 3 487.619 6.174 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)[C@@H](C)CC ZINC000036346326 569769549 /nfs/dbraw/zinc/76/95/49/569769549.db2.gz WHASPQWBTNRBQN-CVDCTZTESA-N 0 3 455.574 5.110 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036346423 569769810 /nfs/dbraw/zinc/76/98/10/569769810.db2.gz UJIXXXCGERBUAW-HHHXNRCGSA-N 0 3 485.603 5.928 50 0 JKAAHN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036346598 569770143 /nfs/dbraw/zinc/77/01/43/569770143.db2.gz NYALNCDPWDHVKX-VWLOTQADSA-N 0 3 491.582 6.067 50 0 JKAAHN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346796 569770760 /nfs/dbraw/zinc/77/07/60/569770760.db2.gz CHBYBMLZALWBDH-VWLOTQADSA-N 0 3 479.665 5.823 50 0 JKAAHN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036346749 569770766 /nfs/dbraw/zinc/77/07/66/569770766.db2.gz BUZXDEYPNGORLL-AREMUKBSSA-N 0 3 491.582 6.067 50 0 JKAAHN Cc1ccc(Oc2c(CN(CC(C)C)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346772 569770853 /nfs/dbraw/zinc/77/08/53/569770853.db2.gz DDUDKQRIHNLZLJ-XMMPIXPASA-N 0 3 465.638 5.432 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346795 569770856 /nfs/dbraw/zinc/77/08/56/569770856.db2.gz CHBYBMLZALWBDH-RUZDIDTESA-N 0 3 479.665 5.823 50 0 JKAAHN Cc1ccc(Oc2c(CN(CC(C)C)C[C@H](O)Cc3ccccc3)c(-c3ccccc3)nn2C)cc1 ZINC000036346773 569770868 /nfs/dbraw/zinc/77/08/68/569770868.db2.gz UWQOYRBKSBGHTC-HHHXNRCGSA-N 0 3 483.656 6.249 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000036346814 569771066 /nfs/dbraw/zinc/77/10/66/569771066.db2.gz WTKFVCJZKFJSMO-ZCYQVOJMSA-N 0 3 479.665 5.822 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036346818 569771085 /nfs/dbraw/zinc/77/10/85/569771085.db2.gz DIUQGRGQPGNNAG-UPVQGACJSA-N 0 3 479.665 5.964 50 0 JKAAHN C[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000036392925 569774633 /nfs/dbraw/zinc/77/46/33/569774633.db2.gz RFPNQTNHECCPOL-NRFANRHFSA-N 0 3 471.605 5.355 50 0 JKAAHN COc1ccc(OCc2cccc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c2)cc1 ZINC000036611054 569777453 /nfs/dbraw/zinc/77/74/53/569777453.db2.gz GSXOVKPUBPZKJB-UHFFFAOYSA-N 0 3 460.618 5.001 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3ccccc3F)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276292 569782152 /nfs/dbraw/zinc/78/21/52/569782152.db2.gz OYTMRPUISWKNIR-LEAFIULHSA-N 0 3 492.610 5.987 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3cccc(F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276308 569782195 /nfs/dbraw/zinc/78/21/95/569782195.db2.gz GNOYEOYBGUZXFS-ABYGYWHVSA-N 0 3 492.610 5.987 50 0 JKAAHN COc1ccc(CN2CCC(N(C(=O)c3ccc(OC)cc3)c3ccc(OC)cc3)CC2)cc1 ZINC000037279996 569782495 /nfs/dbraw/zinc/78/24/95/569782495.db2.gz MDOSUMVRDBQNBH-UHFFFAOYSA-N 0 3 460.574 5.024 50 0 JKAAHN Cc1cccc(-c2nc(NCCN3CCCCC3)nc3nn(-c4ccc(C(F)(F)F)cc4)c(N)c32)c1 ZINC000037359894 569783948 /nfs/dbraw/zinc/78/39/48/569783948.db2.gz RZDNBMIZLJTJHA-UHFFFAOYSA-N 0 3 495.553 5.290 50 0 JKAAHN CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000101187498 569786391 /nfs/dbraw/zinc/78/63/91/569786391.db2.gz ZQKZWPWZSLAQMV-NXCFDTQHSA-N 0 3 466.562 5.613 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037523989 569792924 /nfs/dbraw/zinc/79/29/24/569792924.db2.gz LWLHMMLMCJRQTI-LADGPHEKSA-N 0 3 458.593 5.330 50 0 JKAAHN COCCN(C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1C)C(=O)C(C)C ZINC000037523675 569792945 /nfs/dbraw/zinc/79/29/45/569792945.db2.gz XPEYLXKWZFOJEJ-RCZVLFRGSA-N 0 3 476.583 5.360 50 0 JKAAHN COc1ccccc1OCCN(Cc1ccccc1)C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000038473929 569801328 /nfs/dbraw/zinc/80/13/28/569801328.db2.gz FFZGDNBZNMTOCK-XMMPIXPASA-N 0 3 496.607 5.651 50 0 in-vitro JKAAHN CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CCCCC2)cc1 ZINC000038545995 569802707 /nfs/dbraw/zinc/80/27/07/569802707.db2.gz CBZZBWCBERUYDY-HSZRJFAPSA-N 0 3 454.661 6.653 50 0 JKAAHN COc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCC(C)CC2)cc1OC ZINC000038546332 569802967 /nfs/dbraw/zinc/80/29/67/569802967.db2.gz FZFBAWOVGALWBZ-SANMLTNESA-N 0 3 494.657 6.311 50 0 JKAAHN CCOC(=O)[C@H]1CCCN([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000102423125 569812997 /nfs/dbraw/zinc/81/29/97/569812997.db2.gz JMJTUDCRHYLANB-UKILVPOCSA-N 0 3 476.642 5.982 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102663041 569815318 /nfs/dbraw/zinc/81/53/18/569815318.db2.gz ILZANGSWKGGKFD-PCCBWWKXSA-N 0 3 473.743 5.698 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Br)cc4)[C@@H]3C2=O)cc1Cl ZINC000102693811 569816008 /nfs/dbraw/zinc/81/60/08/569816008.db2.gz UEOMMGWREDPZEA-BHDDXSALSA-N 0 3 497.776 5.462 50 0 JKAAHN O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000102697881 569816066 /nfs/dbraw/zinc/81/60/66/569816066.db2.gz DFOOCTZQRWWJOD-CCDWMCETSA-N 0 3 454.913 5.544 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102697881 569816067 /nfs/dbraw/zinc/81/60/67/569816067.db2.gz DFOOCTZQRWWJOD-CCDWMCETSA-N 0 3 454.913 5.544 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Br)cc4)[C@H]3C2=O)cc1C ZINC000102700123 569816188 /nfs/dbraw/zinc/81/61/88/569816188.db2.gz VKVKBVQYPQPHFH-DNVJHFABSA-N 0 3 477.358 5.117 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000102705460 569816394 /nfs/dbraw/zinc/81/63/94/569816394.db2.gz JHWYEMZUASUQBO-PWRODBHTSA-N 0 3 457.288 5.184 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000102707259 569816512 /nfs/dbraw/zinc/81/65/12/569816512.db2.gz MHLNKFGUIRISRN-CCDWMCETSA-N 0 3 472.903 5.683 50 0 JKAAHN Cc1cc(C)cc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(Br)c4)[C@H]3C2=O)c1 ZINC000102715289 569817012 /nfs/dbraw/zinc/81/70/12/569817012.db2.gz UEVQERKSIRJSAR-XPWALMASSA-N 0 3 477.358 5.117 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102717966 569817123 /nfs/dbraw/zinc/81/71/23/569817123.db2.gz GOKQVEOIHKKPNE-PCCBWWKXSA-N 0 3 483.749 5.154 50 0 JKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000102727685 569817956 /nfs/dbraw/zinc/81/79/56/569817956.db2.gz ATXDEDKBOFKTTG-DSNGMDLFSA-N 0 3 460.505 5.056 50 0 JKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102728033 569817991 /nfs/dbraw/zinc/81/79/91/569817991.db2.gz UQKHXXIFTXJVDW-YPAWHYETSA-N 0 3 453.325 5.353 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102730412 569818181 /nfs/dbraw/zinc/81/81/81/569818181.db2.gz MQPPHYGHLMXTPS-RJGXRXQPSA-N 0 3 490.346 5.593 50 0 JKAAHN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)C2ON1c1ccccc1 ZINC000102732213 569818275 /nfs/dbraw/zinc/81/82/75/569818275.db2.gz XGKXKPRQITVARF-KCZVDYSFSA-N 0 3 469.324 5.053 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102732315 569818304 /nfs/dbraw/zinc/81/83/04/569818304.db2.gz LODGTGWMDUNYSX-PCCBWWKXSA-N 0 3 483.749 5.154 50 0 JKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000102734427 569818646 /nfs/dbraw/zinc/81/86/46/569818646.db2.gz AHVAHEGIIFNXEB-DSNGMDLFSA-N 0 3 476.960 5.570 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(CC)cc4)[C@H]3C2=O)cc1 ZINC000102736465 569818753 /nfs/dbraw/zinc/81/87/53/569818753.db2.gz ZFEIGZFMWSEKRO-UODIDJSMSA-N 0 3 456.542 5.089 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102738724 569818957 /nfs/dbraw/zinc/81/89/57/569818957.db2.gz BKYIARLKJGAZHF-ISJGIBHGSA-N 0 3 489.358 6.198 50 0 JKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102740027 569819214 /nfs/dbraw/zinc/81/92/14/569819214.db2.gz HRXCMALIDFAQLU-TWJOJJKGSA-N 0 3 490.531 5.064 50 0 JKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102749423 569820621 /nfs/dbraw/zinc/82/06/21/569820621.db2.gz UWYACZATRJHYMB-TWJOJJKGSA-N 0 3 490.531 5.064 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)cc1C ZINC000102755737 569821281 /nfs/dbraw/zinc/82/12/81/569821281.db2.gz WQTMRVXPDUQCJJ-YTFSRNRJSA-N 0 3 467.352 5.661 50 0 JKAAHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c1 ZINC000102760226 569821723 /nfs/dbraw/zinc/82/17/23/569821723.db2.gz FPSDNMWJSNNGOE-YTFSRNRJSA-N 0 3 483.351 5.443 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(SC)cc4)[C@@H]3C2=O)cc1 ZINC000102759986 569821846 /nfs/dbraw/zinc/82/18/46/569821846.db2.gz MBIOULGFXPJTOP-CCDWMCETSA-N 0 3 474.582 5.248 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102760644 569822082 /nfs/dbraw/zinc/82/20/82/569822082.db2.gz ZYRXTCLITDHOAN-PWRODBHTSA-N 0 3 488.849 5.290 50 0 JKAAHN c1ccc(C(c2ccccc2)N(Cc2cccc3cccnc32)Cc2cccc3cccnc32)cc1 ZINC000040158803 569822133 /nfs/dbraw/zinc/82/21/33/569822133.db2.gz PAEMFDIYDAUXFR-UHFFFAOYSA-N 0 3 465.600 7.575 50 0 JKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102762910 569822502 /nfs/dbraw/zinc/82/25/02/569822502.db2.gz QELXDQHSKNAKKE-TWJOJJKGSA-N 0 3 490.531 5.064 50 0 JKAAHN C[C@H](c1ccccc1)N(Cc1nc(C(=O)NCCN(C)C)co1)Cc1ccc(Cl)c(Cl)c1 ZINC000040402427 569827751 /nfs/dbraw/zinc/82/77/51/569827751.db2.gz XVBHHZAMMKQBRM-QGZVFWFLSA-N 0 3 475.420 5.036 50 0 JKAAHN CN1CCCN(C2=Nc3ccccc3Oc3ccc(NC(=O)c4ccccc4Cl)cc32)CC1 ZINC000103362085 569834860 /nfs/dbraw/zinc/83/48/60/569834860.db2.gz WXUDKJRZNBCNOB-UHFFFAOYSA-N 0 3 460.965 5.414 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@H](C)CC ZINC000105005794 569849930 /nfs/dbraw/zinc/84/99/30/569849930.db2.gz IWODRLCSHBUFCO-GGAORHGYSA-N 0 3 465.638 6.040 50 0 JKAAHN Cc1cccc(CN2CCc3ccc(O[C@H](C)C(=O)NCC(C)C)cc3[C@@H]2c2ccccc2)c1 ZINC000105022463 569851268 /nfs/dbraw/zinc/85/12/68/569851268.db2.gz PETXHXVPZODTIH-BTYSJIOQSA-N 0 3 456.630 5.682 50 0 JKAAHN Cc1cccc(CN2CCc3ccc(O[C@H](C)C(=O)N(C)Cc4ccco4)cc3[C@H]2c2ccccc2)c1 ZINC000105034756 569851468 /nfs/dbraw/zinc/85/14/68/569851468.db2.gz VUFGREGMGZHINS-WBBHLRKXSA-N 0 3 494.635 6.162 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3ccc(C)o3)C[C@@H]2CN(C(=O)c2ccccc2)C2CCCCC2)c1 ZINC000105042112 569851575 /nfs/dbraw/zinc/85/15/75/569851575.db2.gz KMDUORYILZHPCS-PDDLMNHVSA-N 0 3 486.656 6.287 50 0 JKAAHN Cc1ccccc1[C@H]1CN(Cc2cccn2C)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105041305 569851602 /nfs/dbraw/zinc/85/16/02/569851602.db2.gz OCPPNMIEVSNRMK-QCDSWUKFSA-N 0 3 487.663 6.163 50 0 JKAAHN COc1ccccc1CN1C[C@H](CN(CC(C)C)C(=O)c2ccccc2)[C@H](c2ccccc2OC)C1 ZINC000105042139 569851627 /nfs/dbraw/zinc/85/16/27/569851627.db2.gz PCVMLOOBHWLPSI-IXCJQBJRSA-N 0 3 486.656 5.718 50 0 JKAAHN Cn1cccc1CN1C[C@@H](CN(C(=O)c2ccccc2)C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000105042249 569851643 /nfs/dbraw/zinc/85/16/43/569851643.db2.gz UURHBBYSXCPWNR-LITSAYRRSA-N 0 3 455.646 5.716 50 0 JKAAHN Cc1ccc(CN2C[C@H](CN(C(=O)c3cccc(F)c3)C3CC3)[C@@H](c3ccc(F)cc3)C2)o1 ZINC000105041475 569851719 /nfs/dbraw/zinc/85/17/19/569851719.db2.gz SMIPPUNZRRSAJX-QFQXNSOFSA-N 0 3 450.529 5.387 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccc4ccccc43)=NN12 ZINC000051329958 569851886 /nfs/dbraw/zinc/85/18/86/569851886.db2.gz KLVACEBMLCQWFJ-RUZDIDTESA-N 0 3 490.445 6.348 50 0 JKAAHN COc1cccc([C@@H]2CN(Cc3ccco3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000105042479 569851862 /nfs/dbraw/zinc/85/18/62/569851862.db2.gz QFSXUIVQGITYFC-KCWPFWIISA-N 0 3 464.581 5.441 50 0 JKAAHN COc1cccc([C@@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105050612 569852513 /nfs/dbraw/zinc/85/25/13/569852513.db2.gz OQZHOFIAJOWLSA-BVAGGSTKSA-N 0 3 457.058 5.705 50 0 JKAAHN CC(C)(C)C(=O)[C@@H]1C(C(=O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000108521389 569859516 /nfs/dbraw/zinc/85/95/16/569859516.db2.gz FYVWOXLHBWEHRJ-PCEYSVKOSA-N 0 3 494.566 5.414 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000136141114 569864558 /nfs/dbraw/zinc/86/45/58/569864558.db2.gz HKWRSWSGKMZKGC-PWRODBHTSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000136632387 569864768 /nfs/dbraw/zinc/86/47/68/569864768.db2.gz XIFURGHXVMAHFD-PWRODBHTSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000136632387 569864769 /nfs/dbraw/zinc/86/47/69/569864769.db2.gz XIFURGHXVMAHFD-PWRODBHTSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc(Cl)c1 ZINC000136640921 569864804 /nfs/dbraw/zinc/86/48/04/569864804.db2.gz QWXNRGCHBHSMDQ-PWRODBHTSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000136640921 569864805 /nfs/dbraw/zinc/86/48/05/569864805.db2.gz QWXNRGCHBHSMDQ-PWRODBHTSA-N 0 3 473.743 5.698 50 0 JKAAHN CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137773281 569865191 /nfs/dbraw/zinc/86/51/91/569865191.db2.gz FWTOXAOGUDVTRJ-JCYYIGJDSA-N 0 3 476.576 6.188 50 0 JKAAHN CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000137773281 569865192 /nfs/dbraw/zinc/86/51/92/569865192.db2.gz FWTOXAOGUDVTRJ-JCYYIGJDSA-N 0 3 476.576 6.188 50 0 JKAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000137825254 569865291 /nfs/dbraw/zinc/86/52/91/569865291.db2.gz IGYJUWUTOCSWLQ-FDFHNCONSA-N 0 3 453.325 5.353 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000137810260 569865360 /nfs/dbraw/zinc/86/53/60/569865360.db2.gz XIFURGHXVMAHFD-PCCBWWKXSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000137855822 569865397 /nfs/dbraw/zinc/86/53/97/569865397.db2.gz KRQCFZNUKDVABU-PCCBWWKXSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000137907383 569865443 /nfs/dbraw/zinc/86/54/43/569865443.db2.gz ZYRXTCLITDHOAN-PCCBWWKXSA-N 0 3 488.849 5.290 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000137961822 569865526 /nfs/dbraw/zinc/86/55/26/569865526.db2.gz DNMZZPBAOQSDOY-PCCBWWKXSA-N 0 3 490.840 5.549 50 0 JKAAHN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)C3ON2c2ccccc2)c1 ZINC000143594660 569867587 /nfs/dbraw/zinc/86/75/87/569867587.db2.gz IBYZXIMWJRVOOK-QZNHQXDQSA-N 0 3 499.350 5.062 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)C ZINC000169677837 569868869 /nfs/dbraw/zinc/86/88/69/569868869.db2.gz HZOWYFLPMBRRRR-NZQKXSOJSA-N 0 3 469.601 5.499 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000169677845 569868992 /nfs/dbraw/zinc/86/89/92/569868992.db2.gz DHSMAQLGFKJTPZ-ZJSXRUAMSA-N 0 3 481.637 5.368 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000169678891 569869289 /nfs/dbraw/zinc/86/92/89/569869289.db2.gz ABALIXCKRIRJDL-ZJSXRUAMSA-N 0 3 465.638 5.750 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)(C)C ZINC000169679085 569869492 /nfs/dbraw/zinc/86/94/92/569869492.db2.gz PDZJRYUJRMHQMZ-RCZVLFRGSA-N 0 3 479.665 6.058 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000169679084 569869518 /nfs/dbraw/zinc/86/95/18/569869518.db2.gz WXIPNPZQGLYDIU-GBXCKJPGSA-N 0 3 469.601 5.499 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)[C@@H](C)CC ZINC000169679551 569869819 /nfs/dbraw/zinc/86/98/19/569869819.db2.gz HYMXTUIGQHQFCD-XUZZJYLKSA-N 0 3 451.611 5.279 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000169679581 569869839 /nfs/dbraw/zinc/86/98/39/569869839.db2.gz CIPQFWXPVBYLNG-NFBKMPQASA-N 0 3 483.628 5.889 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@@H](C)CC ZINC000169680013 569870064 /nfs/dbraw/zinc/87/00/64/569870064.db2.gz ZQRJAOLFBFJXNK-JTHBVZDNSA-N 0 3 451.611 5.186 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3cc(C)ccc3F)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000169679933 569870120 /nfs/dbraw/zinc/87/01/20/569870120.db2.gz ICPDNOKXHIAZRS-AOYPEHQESA-N 0 3 454.630 5.499 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000169680070 569870129 /nfs/dbraw/zinc/87/01/29/569870129.db2.gz BXADOLCVXISLDC-LADGPHEKSA-N 0 3 495.664 5.522 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000169680372 569870539 /nfs/dbraw/zinc/87/05/39/569870539.db2.gz LFNPGAZHABVBTM-GBXCKJPGSA-N 0 3 483.628 5.889 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COCC(C)C ZINC000169681944 569870930 /nfs/dbraw/zinc/87/09/30/569870930.db2.gz NSVUJGQHXJDCSG-LADGPHEKSA-N 0 3 465.638 5.513 50 0 JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N21 ZINC000226838333 570038739 /nfs/dbraw/zinc/03/87/39/570038739.db2.gz BHILAFPBTYDLPB-TXQUNOLYSA-N 0 3 496.994 5.601 50 0 JKAAHN CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000226842637 570038934 /nfs/dbraw/zinc/03/89/34/570038934.db2.gz KSVSTAIYMSQLPT-WXFUMESZSA-N 0 3 495.406 6.342 50 0 JKAAHN CCCC[C@H](CC)[C@@H]1[C@@H]2C(=O)N(c3ccc(OCCC)cc3)C(=O)C2ON1c1ccccc1 ZINC000226987047 570039767 /nfs/dbraw/zinc/03/97/67/570039767.db2.gz VEZFHJVGNZZXTO-JNSABCDYSA-N 0 3 450.579 5.370 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000229954725 570042636 /nfs/dbraw/zinc/04/26/36/570042636.db2.gz MHLNKFGUIRISRN-ISJGIBHGSA-N 0 3 472.903 5.683 50 0 JKAAHN Cc1ccc(Cl)cc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C1=O ZINC000229969574 570042851 /nfs/dbraw/zinc/04/28/51/570042851.db2.gz YFEBEVINXQOVED-BHDDXSALSA-N 0 3 497.776 5.462 50 0 JKAAHN CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000229984723 570042957 /nfs/dbraw/zinc/04/29/57/570042957.db2.gz IEDYHFDKIHVILF-JIMJEQGWSA-N 0 3 456.542 5.307 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000229981265 570042987 /nfs/dbraw/zinc/04/29/87/570042987.db2.gz XTWMYHIEGIATNO-OYUWMTPXSA-N 0 3 484.596 5.824 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)cc1 ZINC000229982023 570043002 /nfs/dbraw/zinc/04/30/02/570043002.db2.gz DRCQQQVMZQACSR-BHDDXSALSA-N 0 3 453.325 5.353 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)cc1 ZINC000229990655 570043145 /nfs/dbraw/zinc/04/31/45/570043145.db2.gz NVTAQODLHBKFID-RBZQAINGSA-N 0 3 497.378 5.833 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229997992 570043195 /nfs/dbraw/zinc/04/31/95/570043195.db2.gz UWLGEGGSZYIQSL-PWRODBHTSA-N 0 3 473.743 5.698 50 0 JKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000229995878 570043234 /nfs/dbraw/zinc/04/32/34/570043234.db2.gz QUZFCEYKBMIPLK-BHDDXSALSA-N 0 3 487.770 6.006 50 0 JKAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000230000902 570043336 /nfs/dbraw/zinc/04/33/36/570043336.db2.gz XHYRUJWPXZAJNZ-PWRODBHTSA-N 0 3 457.288 5.184 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000230000902 570043337 /nfs/dbraw/zinc/04/33/37/570043337.db2.gz XHYRUJWPXZAJNZ-PWRODBHTSA-N 0 3 457.288 5.184 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OCc4ccccc4)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000230021791 570043610 /nfs/dbraw/zinc/04/36/10/570043610.db2.gz KPTSLMXGOYHPKY-UPRLRBBYSA-N 0 3 476.532 5.317 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(C(F)(F)F)c4)[C@@H]3C2=O)cc1 ZINC000230054731 570044062 /nfs/dbraw/zinc/04/40/62/570044062.db2.gz HVEBVCCBSCCNLB-RBZQAINGSA-N 0 3 496.485 5.545 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c(C)c1 ZINC000230049691 570044116 /nfs/dbraw/zinc/04/41/16/570044116.db2.gz XIPBWSMXBRJSGS-YTFSRNRJSA-N 0 3 467.352 5.661 50 0 JKAAHN CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000241121812 570052989 /nfs/dbraw/zinc/05/29/89/570052989.db2.gz JEBMSSKARJGRIT-UIFIKXQLSA-N 0 3 488.097 5.271 50 0 JKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000245266090 570060969 /nfs/dbraw/zinc/06/09/69/570060969.db2.gz IKEPIUNMNPFVMF-RCZVLFRGSA-N 0 3 469.610 5.485 50 0 JKAAHN Cc1cccc(CN(C[C@@H](Oc2ccc(F)c(F)c2)C(=O)Nc2ccccc2)C[C@H]2CCCO2)c1 ZINC000245279438 570061342 /nfs/dbraw/zinc/06/13/42/570061342.db2.gz FKVFSQUXNBZVRO-SHQCIBLASA-N 0 3 480.555 5.341 50 0 JKAAHN COc1ccc([C@H]2CN(Cc3cc(C)c(C)o3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000245280907 570062144 /nfs/dbraw/zinc/06/21/44/570062144.db2.gz VTRYEKFMEUKFQE-RBJSKKJNSA-N 0 3 464.581 5.308 50 0 JKAAHN CCCCOc1ccc([C@](C)(O)[C@H](CN2CCN([C@H]3CCCC[C@H]3OC)CC2)c2ccccc2)cc1 ZINC000245295439 570062593 /nfs/dbraw/zinc/06/25/93/570062593.db2.gz FDLGLXYCHXTXKQ-ITGKQZKFSA-N 0 3 494.720 5.432 50 0 JKAAHN CCCCOc1ccc([C@](C)(O)[C@H](CN2CCN([C@@H]3CCCC[C@H]3OC)CC2)c2ccccc2)cc1 ZINC000245295443 570062616 /nfs/dbraw/zinc/06/26/16/570062616.db2.gz FDLGLXYCHXTXKQ-VTMRUAGOSA-N 0 3 494.720 5.432 50 0 JKAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)cc1 ZINC000245310045 570063214 /nfs/dbraw/zinc/06/32/14/570063214.db2.gz GWYMEFLNMYFRLW-UBFVSLLYSA-N 0 3 456.542 5.044 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(C(F)(F)F)c4)[C@H]3C2=O)cc1 ZINC000245311349 570063561 /nfs/dbraw/zinc/06/35/61/570063561.db2.gz NUSLVQVAMIDFEU-YPAWHYETSA-N 0 3 452.432 5.065 50 0 JKAAHN Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)c(C)c1 ZINC000245312809 570063865 /nfs/dbraw/zinc/06/38/65/570063865.db2.gz XIPBWSMXBRJSGS-DNVJHFABSA-N 0 3 467.352 5.661 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c(C)c1 ZINC000245312809 570063866 /nfs/dbraw/zinc/06/38/66/570063866.db2.gz XIPBWSMXBRJSGS-DNVJHFABSA-N 0 3 467.352 5.661 50 0 JKAAHN COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000245312847 570063927 /nfs/dbraw/zinc/06/39/27/570063927.db2.gz XXABJDWWKJLUQA-YPAWHYETSA-N 0 3 469.324 5.053 50 0 JKAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c1 ZINC000245312847 570063928 /nfs/dbraw/zinc/06/39/28/570063928.db2.gz XXABJDWWKJLUQA-YPAWHYETSA-N 0 3 469.324 5.053 50 0 JKAAHN CC(C)CN(C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245326508 570064612 /nfs/dbraw/zinc/06/46/12/570064612.db2.gz FNPXVOPFENBXQK-DHLKQENFSA-N 0 3 478.574 6.201 50 0 JKAAHN CC(C)CN(C[C@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245327083 570065075 /nfs/dbraw/zinc/06/50/75/570065075.db2.gz IRGAHQCHJJNPON-VWNXMTODSA-N 0 3 478.574 6.201 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(CC)cc4)[C@H]3C2=O)cc1 ZINC000245329457 570066309 /nfs/dbraw/zinc/06/63/09/570066309.db2.gz ZFEIGZFMWSEKRO-TWJOJJKGSA-N 0 3 456.542 5.089 50 0 JKAAHN O=C1[C@H]2[C@@H](c3ccc(Cl)cc3Cl)N[C@@H](Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000247711459 570068970 /nfs/dbraw/zinc/06/89/70/570068970.db2.gz JZNSHSOKIWJMSS-WBADGQHESA-N 0 3 451.353 5.055 50 0 JKAAHN Cc1ccc(C(=O)N(C[C@@H]2CN(Cc3ccco3)C[C@H]2c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC000248087454 570073765 /nfs/dbraw/zinc/07/37/65/570073765.db2.gz FNFNNGURZGQJNT-OZXSUGGESA-N 0 3 484.562 6.373 50 0 JKAAHN C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000252383376 570080166 /nfs/dbraw/zinc/08/01/66/570080166.db2.gz POFJLUIMNQZBLM-AWRGLXIESA-N 0 3 453.325 5.435 50 0 JKAAHN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253499178 570100912 /nfs/dbraw/zinc/10/09/12/570100912.db2.gz CYXPZJSOSYXEMC-XRESUKDZSA-N 0 3 455.683 5.942 50 0 biogenic JKAAHN CC(C)c1cc(C(C)C)c(-c2csc(N(CCN(C)C)Cc3cccnc3)n2)c(C(C)C)c1 ZINC000001545003 194127744 /nfs/dbraw/zinc/12/77/44/194127744.db2.gz VVBFISAUNSXQGZ-UHFFFAOYSA-N 0 3 464.723 7.144 50 0 in-man JKAAHN CCN1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002716072 194164812 /nfs/dbraw/zinc/16/48/12/194164812.db2.gz XELUVYXYXVQHRO-UHFFFAOYSA-N 0 3 451.611 5.208 50 0 JKAAHN O=C(Nc1ccc(Cl)cc1)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000002960418 194181346 /nfs/dbraw/zinc/18/13/46/194181346.db2.gz KCAZCXNAZYQJMP-UHFFFAOYSA-N 0 3 459.981 5.167 50 0 JKAAHN CCc1cccc(NC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1 ZINC000002960468 194181607 /nfs/dbraw/zinc/18/16/07/194181607.db2.gz HQVONYPWQVBPTJ-UHFFFAOYSA-N 0 3 453.590 5.076 50 0 JKAAHN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(=O)NCCN2CCCCCC2)ccc1Cl ZINC000002933442 194173838 /nfs/dbraw/zinc/17/38/38/194173838.db2.gz WXLNCPDIXKCGPG-UHFFFAOYSA-N 0 3 483.827 5.897 50 0 JKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1CSc1nnc(-c2ccccc2)o1 ZINC000002944619 194175766 /nfs/dbraw/zinc/17/57/66/194175766.db2.gz BSJMMZPXVCLQTO-DEOSSOPVSA-N 0 3 468.582 5.754 50 0 JKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1CSc1nnc(-c2ccccc2)o1 ZINC000002944621 194175865 /nfs/dbraw/zinc/17/58/65/194175865.db2.gz BSJMMZPXVCLQTO-XMMPIXPASA-N 0 3 468.582 5.754 50 0 JKAAHN Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NC4CCCCC4)C(=O)N32)c(C)c1 ZINC000002968034 194185637 /nfs/dbraw/zinc/18/56/37/194185637.db2.gz BBCGGQRSKUYEIA-HSZRJFAPSA-N 0 3 474.630 5.034 50 0 JKAAHN COc1ccccc1Nc1cc(C(=O)NCCN(Cc2ccccc2)C(C)C)c2ccccc2n1 ZINC000003053834 194219910 /nfs/dbraw/zinc/21/99/10/194219910.db2.gz CATVVIYZXFOFBC-UHFFFAOYSA-N 0 3 468.601 5.627 50 0 JKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2 ZINC000003056336 194221103 /nfs/dbraw/zinc/22/11/03/194221103.db2.gz HJHHRLIJLGIZMN-QFIPXVFZSA-N 0 3 489.616 5.351 50 0 JKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000003175689 194234674 /nfs/dbraw/zinc/23/46/74/194234674.db2.gz BKJKUXDFLNNHRO-IGKIAQTJSA-N 0 3 483.015 5.949 50 0 JKAAHN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000003217078 194241252 /nfs/dbraw/zinc/24/12/52/194241252.db2.gz CCVGPSSIPPYTFZ-LSYYVWMOSA-N 0 3 478.596 5.304 50 0 JKAAHN CCOC(=O)c1c(NC(=O)[C@H](NC2CCCCC2)c2ccccc2)sc2c1CC[C@@H](C)C2 ZINC000003342450 194291218 /nfs/dbraw/zinc/29/12/18/194291218.db2.gz ITQYRERCWZDIJZ-UZUQRXQVSA-N 0 3 454.636 5.652 50 0 JKAAHN COc1ccc(Nc2cc(C(=O)NCCN(Cc3ccccc3)C(C)C)c3ccccc3n2)c(OC)c1 ZINC000003585694 194339229 /nfs/dbraw/zinc/33/92/29/194339229.db2.gz ZWIZPDNRQQKOEN-UHFFFAOYSA-N 0 3 498.627 5.636 50 0 JKAAHN COc1cc(Cl)c(C)cc1NC(=S)N(CCN1CCCCCC1)Cc1cccs1 ZINC000003665673 194356567 /nfs/dbraw/zinc/35/65/67/194356567.db2.gz JZTIIRHGHHZGME-UHFFFAOYSA-N 0 3 452.089 5.794 50 0 JKAAHN CCCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC ZINC000003655670 194352398 /nfs/dbraw/zinc/35/23/98/194352398.db2.gz CPLDQJHNIBRWLU-AREMUKBSSA-N 0 3 492.616 5.094 50 0 JKAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(OCCC(C)C)c1)N(CCCN(C)C)C3=O ZINC000003655673 194352412 /nfs/dbraw/zinc/35/24/12/194352412.db2.gz XSQGYNHZXMHTHU-AREMUKBSSA-N 0 3 476.617 5.332 50 0 JKAAHN C[C@@H](NC1CCN(Cc2ccc(Cl)cc2)CC1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 ZINC000012748863 195104033 /nfs/dbraw/zinc/10/40/33/195104033.db2.gz BJTDWZWGNMCPGP-OAHLLOKOSA-N 0 3 485.078 5.682 50 0 JKAAHN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(Cc3ccco3)C3CCN(C)CC3)cc12 ZINC000012759839 195109997 /nfs/dbraw/zinc/10/99/97/195109997.db2.gz QAMDQVBKLSBJSW-UHFFFAOYSA-N 0 3 483.037 5.438 50 0 JKAAHN COc1ccc(NC(=O)c2ccc(NC(=O)CN[C@@H](C)c3ccc4ccccc4c3)cc2)cc1 ZINC000012817323 195147620 /nfs/dbraw/zinc/14/76/20/195147620.db2.gz GVWQKZFVRLDTLT-IBGZPJMESA-N 0 3 453.542 5.390 50 0 JKAAHN CCOc1ccc(-c2cc(C(=O)NCC3CCN(Cc4ccc(C)cc4)CC3)c3ccccc3n2)cc1 ZINC000020682279 195204529 /nfs/dbraw/zinc/20/45/29/195204529.db2.gz KLRCRSXAIRAILK-UHFFFAOYSA-N 0 3 493.651 6.251 50 0 JKAAHN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCN(C(C)C)CC2)cc1 ZINC000020777928 195224182 /nfs/dbraw/zinc/22/41/82/195224182.db2.gz OQEBPVSBGNBZFF-QFIPXVFZSA-N 0 3 454.412 5.502 50 0 JKAAHN CC[C@@H](C)N(CCNC(=O)CCN1c2ccccc2Sc2ncccc2C1=O)Cc1cccs1 ZINC000020864633 195234257 /nfs/dbraw/zinc/23/42/57/195234257.db2.gz CGJDPLAORQCNBU-LJQANCHMSA-N 0 3 494.686 5.062 50 0 JKAAHN Cc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c(C)c1 ZINC000020999848 195265272 /nfs/dbraw/zinc/26/52/72/195265272.db2.gz JIKNNSLLYDACMS-AREMUKBSSA-N 0 3 473.665 5.087 50 0 JKAAHN O=c1c2c(ncn1CCCc1ccccc1)sc1c2CC[C@H](NCc2cc(F)c(F)c(F)c2)C1 ZINC000020999147 195265336 /nfs/dbraw/zinc/26/53/36/195265336.db2.gz RXJBMMZMWAIDCN-SFHVURJKSA-N 0 3 483.559 5.155 50 0 JKAAHN COc1ccc(-c2csc3ncnc(NCCCN4CCN(c5cccc(C)c5)[C@@H](C)C4)c23)cc1 ZINC000021049162 195272225 /nfs/dbraw/zinc/27/22/25/195272225.db2.gz OUIPRFGHLBINJG-NRFANRHFSA-N 0 3 487.673 5.688 50 0 JKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NC4CCCCCC4)CC3)cc3ccccc32)cc1 ZINC000021116198 195278513 /nfs/dbraw/zinc/27/85/13/195278513.db2.gz IJOFZRDXPZCJAW-UHFFFAOYSA-N 0 3 457.662 6.049 50 0 JKAAHN CCc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccc(C)cc3)CC2)cc1 ZINC000021116359 195278925 /nfs/dbraw/zinc/27/89/25/195278925.db2.gz FTYNPXPXCXHRNZ-UHFFFAOYSA-N 0 3 479.668 6.089 50 0 JKAAHN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000021163007 195288572 /nfs/dbraw/zinc/28/85/72/195288572.db2.gz GSSMQRLBYUJAPZ-UHFFFAOYSA-N 0 3 499.703 5.086 50 0 JKAAHN O=C(NCCCN1CCc2ccccc2C1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916096 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521412188 /nfs/dbraw/zinc/41/21/88/521412188.db2.gz XTETUPUWAPAZBM-UHFFFAOYSA-N 0 3 493.698 5.851 50 0 JKAAHN CCOc1ccccc1CN1CCC(c2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)CC1 ZINC000014990812 521484091 /nfs/dbraw/zinc/48/40/91/521484091.db2.gz FVEKKMTXPZWANJ-RUZDIDTESA-N 0 3 492.689 5.376 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000036307182 521678255 /nfs/dbraw/zinc/67/82/55/521678255.db2.gz OYPUJZAOAULUDF-QHCPKHFHSA-N 0 3 469.601 5.264 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COCC(C)C ZINC000036308250 521678338 /nfs/dbraw/zinc/67/83/38/521678338.db2.gz LRDAZXLAFSAIQO-QHCPKHFHSA-N 0 3 451.611 5.125 50 0 JKAAHN CCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(C)s1 ZINC000036154609 521682399 /nfs/dbraw/zinc/68/23/99/521682399.db2.gz ZHUQBRVLRKBQKS-UHFFFAOYSA-N 0 3 467.581 6.624 50 0 JKAAHN CCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)CC1 ZINC000016712870 521702098 /nfs/dbraw/zinc/70/20/98/521702098.db2.gz AZBSYCGSABMWNP-UHFFFAOYSA-N 0 3 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JKAAHN CCc1c(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000014996248 523701554 /nfs/dbraw/zinc/70/15/54/523701554.db2.gz MVZKTHPGDISULQ-MUUNZHRXSA-N 0 3 492.063 5.378 50 0 JKAAHN CN1CCCCC[C@H]1C(=O)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 ZINC000012247115 523789971 /nfs/dbraw/zinc/78/99/71/523789971.db2.gz BUZBOZOHCGYHLN-NDEPHWFRSA-N 0 3 475.608 5.245 50 0 JKAAHN CN1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccco2)C3)C1 ZINC000014952339 523815511 /nfs/dbraw/zinc/81/55/11/523815511.db2.gz VXZLVSLZWHCORE-LJQANCHMSA-N 0 3 480.992 5.355 50 0 JKAAHN CCc1ccc(CN2CCC(O)(c3ccc4oc(C(=O)N(C)CCc5ccccn5)cc4c3)CC2)cc1 ZINC000012243606 523923971 /nfs/dbraw/zinc/92/39/71/523923971.db2.gz XFZQBJUPXWNPES-UHFFFAOYSA-N 0 3 497.639 5.189 50 0 JKAAHN CCc1ccc(CN2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)o1 ZINC000014976857 523924294 /nfs/dbraw/zinc/92/42/94/523924294.db2.gz KZQZGXVLAYKMJG-MUUNZHRXSA-N 0 3 457.618 5.365 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036346812 523940439 /nfs/dbraw/zinc/94/04/39/523940439.db2.gz QZNCKAWIYKWUHU-UPVQGACJSA-N 0 3 465.638 5.574 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)c1ccccc1 ZINC000036316213 523941357 /nfs/dbraw/zinc/94/13/57/523941357.db2.gz YPELQNCDXLCPAD-CUNXSJBXSA-N 0 3 455.602 6.214 50 0 JKAAHN CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CCN(Cc2cccc3cccnc32)CC1 ZINC000014978761 523951530 /nfs/dbraw/zinc/95/15/30/523951530.db2.gz CVEZZMGMRYRCKT-SANMLTNESA-N 0 3 488.031 6.077 50 0 JKAAHN CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000012333413 523951584 /nfs/dbraw/zinc/95/15/84/523951584.db2.gz SHRNKNKEGGXVIV-DEOSSOPVSA-N 0 3 454.973 5.668 50 0 JKAAHN CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000014966396 523951692 /nfs/dbraw/zinc/95/16/92/523951692.db2.gz QRKNFKNLHVQHSR-SANMLTNESA-N 0 3 476.020 6.010 50 0 JKAAHN CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000012333417 523951988 /nfs/dbraw/zinc/95/19/88/523951988.db2.gz SHRNKNKEGGXVIV-XMMPIXPASA-N 0 3 454.973 5.668 50 0 JKAAHN CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000014981753 523952010 /nfs/dbraw/zinc/95/20/10/523952010.db2.gz VWYLTOZSAWDXEY-DEOSSOPVSA-N 0 3 495.019 5.300 50 0 JKAAHN CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1F)C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000014966906 523955285 /nfs/dbraw/zinc/95/52/85/523955285.db2.gz WFINYORBWDCFNC-DEOSSOPVSA-N 0 3 480.605 5.211 50 0 JKAAHN CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCN4CCCCCC4)c3)C2)cc1 ZINC000033035630 523980566 /nfs/dbraw/zinc/98/05/66/523980566.db2.gz SOGHHAWTONHRCT-SANMLTNESA-N 0 3 476.665 5.266 50 0 JKAAHN COc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3)CC2)c(OC)c1 ZINC000046055473 524046519 /nfs/dbraw/zinc/04/65/19/524046519.db2.gz CTEUJHZOVGKHIP-UHFFFAOYSA-N 0 3 497.639 5.235 50 0 JKAAHN C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046056064 524241118 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Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2nc(-c3ccccc3)cs2)C4)cc1 ZINC000014979790 524774831 /nfs/dbraw/zinc/77/48/31/524774831.db2.gz WEPYHDFBQNLJKB-OAQYLSRUSA-N 0 3 498.677 5.585 50 0 JKAAHN Cc1cccc(Oc2c(CN(C[C@@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036306390 524783937 /nfs/dbraw/zinc/78/39/37/524783937.db2.gz SSBZTAZYCVQFPS-HSZRJFAPSA-N 0 3 451.611 5.184 50 0 JKAAHN Cc1cccc(Oc2c(CN(C[C@H](O)Cc3ccccc3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306560 524786038 /nfs/dbraw/zinc/78/60/38/524786038.db2.gz HUUMSVVXZALPHA-HHHXNRCGSA-N 0 3 481.640 6.003 50 0 JKAAHN Cc1cccc([C@@H](CC(=O)NCCN(C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000033560364 524833796 /nfs/dbraw/zinc/83/37/96/524833796.db2.gz MJZACMVKKCYYRU-AREMUKBSSA-N 0 3 457.593 5.337 50 0 JKAAHN COc1ccc(Oc2c(CN(CC(C)C)C[C@H](O)COC(C)C)c(C)nn2-c2ccccc2)cc1 ZINC000036302349 524990164 /nfs/dbraw/zinc/99/01/64/524990164.db2.gz PWGKOYFYWLBZIZ-DEOSSOPVSA-N 0 3 481.637 5.226 50 0 JKAAHN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000046006720 524990127 /nfs/dbraw/zinc/99/01/27/524990127.db2.gz DTOMOTBMMFWSSS-UHFFFAOYSA-N 0 3 497.643 5.603 50 0 JKAAHN Cc1ccccc1-c1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 ZINC000014879311 525002563 /nfs/dbraw/zinc/00/25/63/525002563.db2.gz RFAIKTJOUXPGMB-XMMPIXPASA-N 0 3 493.655 5.122 50 0 JKAAHN Cc1ccc(NC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)cc1 ZINC000046055738 525027137 /nfs/dbraw/zinc/02/71/37/525027137.db2.gz ZHLSERZDEUXOMM-UHFFFAOYSA-N 0 3 472.032 6.502 50 0 JKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)NCc3ccccc3)CC2)cc2ccccc21 ZINC000046055771 525209553 /nfs/dbraw/zinc/20/95/53/525209553.db2.gz ICOUTIVIVKOWJH-UHFFFAOYSA-N 0 3 451.614 5.526 50 0 JKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)N[C@@H](C)Cc3ccco3)CC2)cc2ccccc21 ZINC000046055831 525209726 /nfs/dbraw/zinc/20/97/26/525209726.db2.gz PTRCISMFFSEGET-QHCPKHFHSA-N 0 3 469.629 5.550 50 0 JKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc2ccccc21 ZINC000046055790 525210107 /nfs/dbraw/zinc/21/01/07/525210107.db2.gz ITWBTZLAXGFXJW-DEOSSOPVSA-N 0 3 465.641 6.087 50 0 JKAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@]32C)cc1 ZINC000012402530 525267156 /nfs/dbraw/zinc/26/71/56/525267156.db2.gz CLMOVBXGSYWPNR-FBLLAGFSSA-N 0 3 483.351 5.443 50 0 JKAAHN Cc1[nH]c2c(c1CCNC1(c3nnnn3-c3c(C)cccc3C)CCCCC1)c(Cl)ccc2Cl ZINC000020506620 525414529 /nfs/dbraw/zinc/41/45/29/525414529.db2.gz NKLJCBFZSKBIAS-UHFFFAOYSA-N 0 3 497.474 6.367 50 0 JKAAHN COc1cccc(CN2CCC(O)(c3ccc4oc(C(=O)Nc5ccccc5OC)cc4c3)CC2)c1 ZINC000014959346 525932352 /nfs/dbraw/zinc/93/23/52/525932352.db2.gz ASTYJHWLEFKZGE-UHFFFAOYSA-N 0 3 486.568 5.186 50 0 JKAAHN COc1cccc(CN2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)c1 ZINC000012331005 525936814 /nfs/dbraw/zinc/93/68/14/525936814.db2.gz QCEXVOKIVZPMRI-MHZLTWQESA-N 0 3 464.581 5.331 50 0 JKAAHN COc1cccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3C)CC2)c1 ZINC000046055800 525964324 /nfs/dbraw/zinc/96/43/24/525964324.db2.gz 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OONVRWRPXFQHKU-UHFFFAOYSA-N 0 3 458.602 5.418 50 0 JKAAHN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055956 526914872 /nfs/dbraw/zinc/91/48/72/526914872.db2.gz LIYQLARCAIPHJN-SSEXGKCCSA-N 0 3 495.642 6.235 50 0 JKAAHN Clc1ccc(COc2ccc(Br)cc2CNCCc2ccccc2)c(Cl)c1 ZINC000016479329 526951069 /nfs/dbraw/zinc/95/10/69/526951069.db2.gz WCYJNBKSJUMOAD-UHFFFAOYSA-N 0 3 465.218 6.667 50 0 JKAAHN O=C1CC[C@@H]2CN(Cc3ccc(OCc4ccccc4)cc3)CC[C@@H]2N1Cc1ccc(F)cc1 ZINC000014992622 526993120 /nfs/dbraw/zinc/99/31/20/526993120.db2.gz HXXSDJVOPWVQIG-NAKRPHOHSA-N 0 3 458.577 5.418 50 0 JKAAHN O=C(Nc1ccc(Cl)cc1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055587 527178000 /nfs/dbraw/zinc/17/80/00/527178000.db2.gz KVGDSPHYQQFPOS-UHFFFAOYSA-N 0 3 492.450 6.847 50 0 JKAAHN Cn1cc(CN2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)c(-c2ccccc2)n1 ZINC000012373185 527200719 /nfs/dbraw/zinc/20/07/19/527200719.db2.gz MFSBELJDXGFDBJ-FQEVSTJZSA-N 0 3 451.014 5.049 50 0 JKAAHN Cn1cc(CN2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)c(-c2ccccc2)n1 ZINC000012373186 527202942 /nfs/dbraw/zinc/20/29/42/527202942.db2.gz MFSBELJDXGFDBJ-HXUWFJFHSA-N 0 3 451.014 5.049 50 0 JKAAHN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)c12 ZINC000020516798 527522822 /nfs/dbraw/zinc/52/28/22/527522822.db2.gz CDKDKEYQFWOUMG-UHFFFAOYSA-N 0 3 481.644 5.030 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)Cc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307301 527538829 /nfs/dbraw/zinc/53/88/29/527538829.db2.gz QWGZUUXTAWFMCO-SANMLTNESA-N 0 3 485.603 5.834 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc1CC2 ZINC000033049007 527550776 /nfs/dbraw/zinc/55/07/76/527550776.db2.gz KGQSOSGMHVYPQO-UHFFFAOYSA-N 0 3 482.653 5.402 50 0 JKAAHN O[C@@H](CN(Cc1ccccc1)Cc1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000003210197 527646147 /nfs/dbraw/zinc/64/61/47/527646147.db2.gz LYNXUHAGKSBEKX-VWLOTQADSA-N 0 3 489.446 7.165 50 0 JKAAHN O=C(NCCCN1CCc2ccccc2C1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033264067 527674321 /nfs/dbraw/zinc/67/43/21/527674321.db2.gz AFBVXYAUEVNDGF-MUUNZHRXSA-N 0 3 496.655 5.276 50 0 JKAAHN COc1ccc([C@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000096276441 536909557 /nfs/dbraw/zinc/90/95/57/536909557.db2.gz QHFIKSBDFLVQRQ-NDEPHWFRSA-N 0 3 499.630 5.571 50 0 JKAAHN O=C(CSc1nc2ccccc2[nH]1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000000667884 553743611 /nfs/dbraw/zinc/74/36/11/553743611.db2.gz VKUBIVGQEMFCCM-AREMUKBSSA-N 0 3 484.669 6.577 50 0 JKAAHN CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000001320131 553941590 /nfs/dbraw/zinc/94/15/90/553941590.db2.gz TXVNNFDXQZFMBQ-MFQNCIFPSA-N 0 3 464.993 5.915 50 0 JKAAHN Cc1cc(Oc2coc3cc(OC[C@@H](O)CN4CCC[C@@H](C)C4)ccc3c2=O)cc(C)c1Cl ZINC000001811008 553992343 /nfs/dbraw/zinc/99/23/43/553992343.db2.gz BDGUKDLRNQCGNZ-APWZRJJASA-N 0 3 471.981 5.327 50 0 JKAAHN COc1ccc2nc(C)cc(Nc3ccc(Oc4ccc5ccccc5c4Cl)c(Cl)c3)c2c1 ZINC000002031307 554009833 /nfs/dbraw/zinc/00/98/33/554009833.db2.gz PTQZXSZBYZRXQE-UHFFFAOYSA-N 0 3 475.375 8.548 50 0 JKAAHN COc1ccc(/C=C2/c3ccccc3-c3ccc(C(=O)CCCCN4CCCCC4)cc32)cc1 ZINC000002054156 554012301 /nfs/dbraw/zinc/01/23/01/554012301.db2.gz BLMJKVQCSBKJSZ-ANYBSYGZSA-N 0 3 451.610 7.103 50 0 JKAAHN CN(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002074795 554024293 /nfs/dbraw/zinc/02/42/93/554024293.db2.gz UCQIYQJHXVLJTD-UHFFFAOYSA-N 0 3 467.738 7.920 50 0 JKAAHN CCOC(=O)c1ccccc1OCc1cc([C@H]2NCCc3c4ccccc4[nH]c32)ccc1OC ZINC000002151292 554069835 /nfs/dbraw/zinc/06/98/35/554069835.db2.gz MODMKZKNNYYVER-AREMUKBSSA-N 0 3 456.542 5.167 50 0 biogenic JKAAHN CCOC(=O)c1ccccc1OCc1cc([C@@H]2NCCc3c4ccccc4[nH]c32)ccc1OC ZINC000002151289 554069910 /nfs/dbraw/zinc/06/99/10/554069910.db2.gz MODMKZKNNYYVER-SANMLTNESA-N 0 3 456.542 5.167 50 0 biogenic JKAAHN CCc1ccc2nc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4C3c3cccs3)sc2c1 ZINC000002198295 554089938 /nfs/dbraw/zinc/08/99/38/554089938.db2.gz NNVLZQLWQUTVBT-NRFANRHFSA-N 0 3 458.564 6.085 50 0 JKAAHN Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccc3F)nc2c(C)c1 ZINC000002212231 554095982 /nfs/dbraw/zinc/09/59/82/554095982.db2.gz RIKMXFVIICEEGD-JOCHJYFZSA-N 0 3 456.498 5.908 50 0 JKAAHN O[C@@H](CNCc1ccccc1)Cn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1 ZINC000002299923 554138927 /nfs/dbraw/zinc/13/89/27/554138927.db2.gz XAVUNDRLMSCTFC-LJAQVGFWSA-N 0 3 482.627 7.279 50 0 JKAAHN CN(C)[C@@H](CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1c[nH]c2ccccc21 ZINC000002333966 554153092 /nfs/dbraw/zinc/15/30/92/554153092.db2.gz IPQDCFORTGTPIG-LBPRGKRZSA-N 0 3 471.171 5.680 50 0 JKAAHN Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccccc1F)N(c1nnc(CC(C)C)s1)C3=O ZINC000002410382 554191265 /nfs/dbraw/zinc/19/12/65/554191265.db2.gz TYWNZIJGDGREJW-NRFANRHFSA-N 0 3 463.534 5.349 50 0 JKAAHN COc1ccc([C@H](CNC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)N(C)C)cc1 ZINC000002615951 554241035 /nfs/dbraw/zinc/24/10/35/554241035.db2.gz DWUOZZCQXNJLAA-NRFANRHFSA-N 0 3 469.010 5.090 50 0 JKAAHN COc1ccc([C@@H](CNC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)N(C)C)cc1 ZINC000002615952 554241040 /nfs/dbraw/zinc/24/10/40/554241040.db2.gz DWUOZZCQXNJLAA-OAQYLSRUSA-N 0 3 469.010 5.090 50 0 JKAAHN Cc1ccc(-n2c(SCC(=O)NC[C@H](c3ccccc3)N(C)C)nnc2-c2ccccc2)cc1C ZINC000002638966 554258982 /nfs/dbraw/zinc/25/89/82/554258982.db2.gz HMGCZKSNLGJLAI-RUZDIDTESA-N 0 3 485.657 5.062 50 0 JKAAHN COc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1COc1ccccc1Cl ZINC000002735385 554318866 /nfs/dbraw/zinc/31/88/66/554318866.db2.gz JRJUJNAHOQXGOF-UHFFFAOYSA-N 0 3 464.993 6.166 50 0 JKAAHN COCCN(CCOC)C[C@H](O)Cn1c2ccc(C)cc2c(-c2ccccc2)c1-c1ccccc1 ZINC000003201321 554430383 /nfs/dbraw/zinc/43/03/83/554430383.db2.gz KRIZHVZLUZFZLR-SANMLTNESA-N 0 3 472.629 5.239 50 0 JKAAHN O=C(CC(C(=O)c1ccccc1)c1nc2ccccc2s1)Nc1ccc(Cl)c(Cl)c1 ZINC000003311778 554449027 /nfs/dbraw/zinc/44/90/27/554449027.db2.gz HTSJMYAEMNEHSF-INIZCTEOSA-N 0 3 455.366 6.598 50 0 JKAAHN CCc1ccc(-c2cc(C(=O)NC3CCN(CC)CC3)c3cc(Br)ccc3n2)s1 ZINC000006284284 554527010 /nfs/dbraw/zinc/52/70/10/554527010.db2.gz YKSUNSHQUJGBJM-UHFFFAOYSA-N 0 3 472.452 5.502 50 0 JKAAHN CCOc1ccc(C(=O)[C@H](CCCC[C@@H](CN(C)C)C(=O)c2ccc(OCC)cc2)CN(C)C)cc1 ZINC000006600743 554555449 /nfs/dbraw/zinc/55/54/49/554555449.db2.gz CCXYPPLSKXZJFH-WMPKNSHKSA-N 0 3 496.692 5.466 50 0 JKAAHN CCN(CC)C[C@@H](CC[C@H](CN(CC)CC)C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1 ZINC000008387046 554570033 /nfs/dbraw/zinc/57/00/33/554570033.db2.gz XGDPBXQPYHDREZ-CLJLJLNGSA-N 0 3 496.692 5.466 50 0 JKAAHN Cc1cc(Oc2coc3cc(OC[C@H](O)CN4CCC[C@H](C)C4)ccc3c2=O)cc(C)c1Cl ZINC000008763878 554664160 /nfs/dbraw/zinc/66/41/60/554664160.db2.gz BDGUKDLRNQCGNZ-QFBILLFUSA-N 0 3 471.981 5.327 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000008767460 554668223 /nfs/dbraw/zinc/66/82/23/554668223.db2.gz DUQNKOUEVOZOCF-HHHXNRCGSA-N 0 3 469.654 6.583 50 0 JKAAHN O=C1C[C@@H](NCCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000008770415 554670825 /nfs/dbraw/zinc/67/08/25/554670825.db2.gz KHGSPQYULOXGFD-XMMPIXPASA-N 0 3 459.933 5.078 50 0 JKAAHN O=C(c1ccccc1)[C@H](CCCC[C@H](CN1CCCCC1)C(=O)c1ccccc1)CN1CCCCC1 ZINC000008838228 554739922 /nfs/dbraw/zinc/73/99/22/554739922.db2.gz BOKKZTAFOPRWIE-LOYHVIPDSA-N 0 3 488.716 6.517 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000009008064 554862276 /nfs/dbraw/zinc/86/22/76/554862276.db2.gz KAPAJCOACWMDNF-RUZDIDTESA-N 0 3 490.445 6.348 50 0 JKAAHN O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)NC1CCN(Cc2ccccc2)CC1 ZINC000009116040 554903066 /nfs/dbraw/zinc/90/30/66/554903066.db2.gz KQJXIMMPENSWQC-UHFFFAOYSA-N 0 3 486.059 6.056 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(Br)cc2)C1 ZINC000009151120 554937158 /nfs/dbraw/zinc/93/71/58/554937158.db2.gz GOGQQOPJRYEAOY-UHFFFAOYSA-N 0 3 459.413 5.001 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(COc4ccccc4C)nn3cnc1O2 ZINC000009187139 554959663 /nfs/dbraw/zinc/95/96/63/554959663.db2.gz UBYIBFCRHLPRKE-DEOSSOPVSA-N 0 3 490.523 5.385 50 0 JKAAHN Cc1csc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccccc2F)n1 ZINC000009209562 554978556 /nfs/dbraw/zinc/97/85/56/554978556.db2.gz PMJIMKQBATZULA-QGZVFWFLSA-N 0 3 471.307 5.209 50 0 JKAAHN Cc1oc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)nc1CSc1ccccc1 ZINC000009211987 554982231 /nfs/dbraw/zinc/98/22/31/554982231.db2.gz HENRACAJMYCUSZ-UHFFFAOYSA-N 0 3 497.664 6.337 50 0 JKAAHN CC(C)Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccccc2F)s1 ZINC000009216161 554984189 /nfs/dbraw/zinc/98/41/89/554984189.db2.gz HOJGEHSGHXAIGK-LJQANCHMSA-N 0 3 469.925 5.385 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(C)cc1)c1c3nc(-c4ccccn4)nn3cnc1O2 ZINC000009232526 555004725 /nfs/dbraw/zinc/00/47/25/555004725.db2.gz LAAKZUVSXMSSGR-QHCPKHFHSA-N 0 3 471.524 5.275 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(C)cc1)c1c3nc(-c4ccccn4)nn3cnc1O2 ZINC000009232523 555004743 /nfs/dbraw/zinc/00/47/43/555004743.db2.gz LAAKZUVSXMSSGR-HSZRJFAPSA-N 0 3 471.524 5.275 50 0 JKAAHN Cc1ccc(C)c(NC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1 ZINC000009251626 555026011 /nfs/dbraw/zinc/02/60/11/555026011.db2.gz IGCMGZZEKGUNHU-UHFFFAOYSA-N 0 3 453.590 5.131 50 0 JKAAHN COc1ccccc1-c1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)C3c1ccccc1 ZINC000009281029 555049956 /nfs/dbraw/zinc/04/99/56/555049956.db2.gz XSOIRGODOMHALO-DEOSSOPVSA-N 0 3 486.535 5.580 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000009281271 555050572 /nfs/dbraw/zinc/05/05/72/555050572.db2.gz ZDJLGAQDLXRNTG-NJDAHSKKSA-N 0 3 483.749 5.154 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1Br ZINC000009281984 555051664 /nfs/dbraw/zinc/05/16/64/555051664.db2.gz ZSNSUJOGBHDYGJ-QHAWAJNXSA-N 0 3 483.749 5.154 50 0 JKAAHN COc1ccc2c(c1)[nH]c(C(=O)NC1CCN(Cc3ccccc3)CC1)c2Sc1ccc(C)cc1 ZINC000009288467 555062272 /nfs/dbraw/zinc/06/22/72/555062272.db2.gz MOBRYOGAGYNPIT-UHFFFAOYSA-N 0 3 485.653 6.031 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc(F)c1 ZINC000009291612 555065972 /nfs/dbraw/zinc/06/59/72/555065972.db2.gz BTMFSNWJQHGSAJ-NJDAHSKKSA-N 0 3 457.288 5.184 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccccc4)nn3cnc1O2 ZINC000009303648 555077273 /nfs/dbraw/zinc/07/72/73/555077273.db2.gz KRDFWRSHOXNIJA-QHCPKHFHSA-N 0 3 456.509 5.571 50 0 JKAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000009307256 555080016 /nfs/dbraw/zinc/08/00/16/555080016.db2.gz PMBJJOCTHSXIQN-FQEVSTJZSA-N 0 3 460.803 5.458 50 0 JKAAHN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(C3CCCC3)CC2)c1-c1ccc(Cl)cc1 ZINC000009346470 555113254 /nfs/dbraw/zinc/11/32/54/555113254.db2.gz HMVSSUCCMAFGAX-UHFFFAOYSA-N 0 3 452.046 5.720 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000009358430 555122838 /nfs/dbraw/zinc/12/28/38/555122838.db2.gz LODGTGWMDUNYSX-QHAWAJNXSA-N 0 3 483.749 5.154 50 0 JKAAHN COc1ccc(-c2cn3c4ccc(C(=O)NC5CCN(Cc6ccccc6)CC5)cc4sc3n2)cc1 ZINC000009406422 555166720 /nfs/dbraw/zinc/16/67/20/555166720.db2.gz URFZQMXKOXZFLR-UHFFFAOYSA-N 0 3 496.636 5.619 50 0 JKAAHN CC[C@H](C)N(CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)Cc1ccco1 ZINC000009407784 555169426 /nfs/dbraw/zinc/16/94/26/555169426.db2.gz GKKYDGJWZPAXLZ-HNNXBMFYSA-N 0 3 461.052 6.298 50 0 JKAAHN CC[C@H](C)N(CCCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1 ZINC000009433781 555204067 /nfs/dbraw/zinc/20/40/67/555204067.db2.gz IEMIIWIKAPIAGY-NRFANRHFSA-N 0 3 487.600 5.013 50 0 JKAAHN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(-c4ccccc4)nc3c21 ZINC000009447512 555220241 /nfs/dbraw/zinc/22/02/41/555220241.db2.gz SYYOFJSMBCCSFG-XMMPIXPASA-N 0 3 486.535 5.580 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009455888 555225943 /nfs/dbraw/zinc/22/59/43/555225943.db2.gz VQPVNPOQSLRLNL-IBGZPJMESA-N 0 3 481.221 5.721 50 0 JKAAHN CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000009461480 555229090 /nfs/dbraw/zinc/22/90/90/555229090.db2.gz NTWLIQCRBOJYSY-SANMLTNESA-N 0 3 455.627 6.193 50 0 JKAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009461611 555229496 /nfs/dbraw/zinc/22/94/96/555229496.db2.gz XPNJTYFFDOGIAX-HXUWFJFHSA-N 0 3 495.248 6.111 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000009462238 555231038 /nfs/dbraw/zinc/23/10/38/555231038.db2.gz NKEYXPADDRLQDW-OAQYLSRUSA-N 0 3 474.830 5.848 50 0 JKAAHN COc1ccc(-c2nc3ccccc3c(NCC3CCN(Cc4ccccc4Cl)CC3)n2)cc1 ZINC000009527079 555320718 /nfs/dbraw/zinc/32/07/18/555320718.db2.gz GECMWVJMYZRDHQ-UHFFFAOYSA-N 0 3 473.020 6.283 50 0 JKAAHN COc1ccc(-c2nc3ccccc3c(NCC3CCN(Cc4ccccc4F)CC3)n2)cc1 ZINC000009527077 555320760 /nfs/dbraw/zinc/32/07/60/555320760.db2.gz ZFCICLTZMSWCLF-UHFFFAOYSA-N 0 3 456.565 5.769 50 0 JKAAHN COc1ccc(-c2nc3ccccc3c(NCCCN3CCN(c4cc(C)ccc4C)CC3)n2)cc1 ZINC000009527067 555320804 /nfs/dbraw/zinc/32/08/04/555320804.db2.gz GIBQIBQDZOJSFC-UHFFFAOYSA-N 0 3 481.644 5.546 50 0 JKAAHN COC(=O)c1c2c(sc1NC(=O)c1ccccc1Oc1ccccc1)C(C)(C)NC(C)(C)C2 ZINC000009639746 555349094 /nfs/dbraw/zinc/34/90/94/555349094.db2.gz PUQNTURAQSKRMX-UHFFFAOYSA-N 0 3 464.587 5.739 50 0 JKAAHN COc1ccccc1OCc1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)cc1 ZINC000009557271 555351763 /nfs/dbraw/zinc/35/17/63/555351763.db2.gz PDJZOUUBYXHNIJ-UHFFFAOYSA-N 0 3 484.600 5.362 50 0 JKAAHN Fc1ccc([C@H](NCC2CCN(Cc3ccc(Cl)cc3)CC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000009645516 555358262 /nfs/dbraw/zinc/35/82/62/555358262.db2.gz ATEFTIKCLNZSBH-SANMLTNESA-N 0 3 491.010 6.120 50 0 JKAAHN Cc1ccc2c(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)cc(-c3ccncc3)nc2c1C ZINC000013321661 555376030 /nfs/dbraw/zinc/37/60/30/555376030.db2.gz HNJGYRANYAJVTD-UHFFFAOYSA-N 0 3 480.656 5.640 50 0 JKAAHN Cc1ccc2c(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)cc(-c3ccccn3)nc2c1C ZINC000013321667 555376043 /nfs/dbraw/zinc/37/60/43/555376043.db2.gz YHXUBZBMCXDIIQ-UHFFFAOYSA-N 0 3 480.656 5.640 50 0 JKAAHN Cc1cccc2c(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)cc(-c3cccnc3)nc12 ZINC000013321679 555376045 /nfs/dbraw/zinc/37/60/45/555376045.db2.gz HCNBHHWELQDFPB-UHFFFAOYSA-N 0 3 466.629 5.332 50 0 JKAAHN O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013321643 555376063 /nfs/dbraw/zinc/37/60/63/555376063.db2.gz OHITWCNMSIYBCI-UHFFFAOYSA-N 0 3 452.602 5.023 50 0 JKAAHN C[C@H](C(=O)N1CCN(C2CCCCC2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369336 555391128 /nfs/dbraw/zinc/39/11/28/555391128.db2.gz HSTGZQZOSKYWRH-LJQANCHMSA-N 0 3 451.014 5.395 50 0 JKAAHN C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369218 555391134 /nfs/dbraw/zinc/39/11/34/555391134.db2.gz ZLHRUKLIPGOTRB-HXUWFJFHSA-N 0 3 473.020 5.699 50 0 JKAAHN CC[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369405 555391159 /nfs/dbraw/zinc/39/11/59/555391159.db2.gz TWJGXJQTLPZHLM-SANMLTNESA-N 0 3 487.047 6.089 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4cccc(C)c4)nn3cnc1O2 ZINC000009583769 555391612 /nfs/dbraw/zinc/39/16/12/555391612.db2.gz MRMSSBLDADBEII-XMMPIXPASA-N 0 3 470.536 5.880 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4cccc(C)c4)nn3cnc1O2 ZINC000009583767 555391672 /nfs/dbraw/zinc/39/16/72/555391672.db2.gz MRMSSBLDADBEII-DEOSSOPVSA-N 0 3 470.536 5.880 50 0 JKAAHN O=C(NCCN1CCCC1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000009589334 555402398 /nfs/dbraw/zinc/40/23/98/555402398.db2.gz YBPPZCAYEHFWMO-UHFFFAOYSA-N 0 3 458.512 5.068 50 0 JKAAHN O=C(NCCCN1CCc2ccccc2C1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000009598069 555415761 /nfs/dbraw/zinc/41/57/61/555415761.db2.gz WCFCQCFHFYHSEQ-UHFFFAOYSA-N 0 3 462.018 5.795 50 0 JKAAHN CCCCOCCCNC(=O)C1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000009601233 555425701 /nfs/dbraw/zinc/42/57/01/555425701.db2.gz XZTHPFQOBNBRON-UHFFFAOYSA-N 0 3 460.703 5.522 50 0 JKAAHN COc1ccc(Nc2c3cc(NC(=O)c4cccs4)ccc3nc3c2CCCC3)cc1OC ZINC000009612252 555444800 /nfs/dbraw/zinc/44/48/00/555444800.db2.gz TVVYLOVAPSEZLS-UHFFFAOYSA-N 0 3 459.571 6.188 50 0 JKAAHN COc1ccc(Nc2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3nc3c2CCCC3)cc1OC ZINC000009612254 555444868 /nfs/dbraw/zinc/44/48/68/555444868.db2.gz CALSZXYZTINVIS-UHFFFAOYSA-N 0 3 497.551 5.855 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000013513036 555484064 /nfs/dbraw/zinc/48/40/64/555484064.db2.gz QWXNRGCHBHSMDQ-QHAWAJNXSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013513762 555484573 /nfs/dbraw/zinc/48/45/73/555484573.db2.gz MQPPHYGHLMXTPS-XPWALMASSA-N 0 3 490.346 5.593 50 0 JKAAHN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(-c4ccco4)nc3c21 ZINC000013555603 555493738 /nfs/dbraw/zinc/49/37/38/555493738.db2.gz XGVOZDDYFQGMNR-QFIPXVFZSA-N 0 3 476.496 5.173 50 0 JKAAHN O=c1c2c(ncn1CCCc1ccccc1)sc1c2CC[C@H](NCc2c(F)cccc2F)C1 ZINC000019839526 555508134 /nfs/dbraw/zinc/50/81/34/555508134.db2.gz QEOVDUPULCTXBV-SFHVURJKSA-N 0 3 465.569 5.016 50 0 JKAAHN Cc1[nH]c2c(ccc(Cl)c2Cl)c1CCNC1(c2nnnn2-c2ccc(C)cc2)CCCCC1 ZINC000019848420 555509866 /nfs/dbraw/zinc/50/98/66/555509866.db2.gz ZRBBXWPAAHHAGG-UHFFFAOYSA-N 0 3 483.447 6.059 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013582358 555520120 /nfs/dbraw/zinc/52/01/20/555520120.db2.gz CIVBBXOPQCRVEW-QHAWAJNXSA-N 0 3 483.749 5.154 50 0 JKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000013596300 555529126 /nfs/dbraw/zinc/52/91/26/555529126.db2.gz OSSRYHHLOGNMOO-RUZDIDTESA-N 0 3 490.445 6.346 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000013598265 555529726 /nfs/dbraw/zinc/52/97/26/555529726.db2.gz KAPAJCOACWMDNF-VWLOTQADSA-N 0 3 490.445 6.348 50 0 JKAAHN Cc1cc(Oc2coc3cc(OC[C@@H](O)CN4CCC[C@H](C)C4)ccc3c2=O)cc(C)c1Cl ZINC000009833278 555535589 /nfs/dbraw/zinc/53/55/89/555535589.db2.gz BDGUKDLRNQCGNZ-LPHOPBHVSA-N 0 3 471.981 5.327 50 0 JKAAHN O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(CCc2ccccc2)CC1 ZINC000019908804 555536782 /nfs/dbraw/zinc/53/67/82/555536782.db2.gz FXOUHSZKPXSEEX-QHCPKHFHSA-N 0 3 482.455 5.323 50 0 JKAAHN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(C1CCN(Cc2ccccc2)CC1)CO3 ZINC000013629825 555541191 /nfs/dbraw/zinc/54/11/91/555541191.db2.gz VQNUXTZGOFKWBX-UHFFFAOYSA-N 0 3 452.554 5.277 50 0 biogenic JKAAHN CC(C)c1ccc([C@H]2C3=C(NCCN=C3c3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000019938749 555557203 /nfs/dbraw/zinc/55/72/03/555557203.db2.gz RZOPIMDXYGDQGE-MHZLTWQESA-N 0 3 455.989 5.898 50 0 JKAAHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000019962169 555573307 /nfs/dbraw/zinc/57/33/07/555573307.db2.gz PNRPUZODMYFKII-JOCHJYFZSA-N 0 3 478.474 5.214 50 0 JKAAHN Brc1ccc2[nH]c3c(ncnc3N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020023708 555601745 /nfs/dbraw/zinc/60/17/45/555601745.db2.gz QLFAWWOCTIASNW-UHFFFAOYSA-N 0 3 498.428 5.785 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000013751734 555610026 /nfs/dbraw/zinc/61/00/26/555610026.db2.gz WAPOCQCSDFBCDR-SVFBPWRDSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013758127 555611638 /nfs/dbraw/zinc/61/16/38/555611638.db2.gz XIFURGHXVMAHFD-NJDAHSKKSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013758551 555611872 /nfs/dbraw/zinc/61/18/72/555611872.db2.gz BKYIARLKJGAZHF-UBFVSLLYSA-N 0 3 489.358 6.198 50 0 JKAAHN CC(C)Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccccc2F)s1 ZINC000013759008 555612196 /nfs/dbraw/zinc/61/21/96/555612196.db2.gz HOJGEHSGHXAIGK-IBGZPJMESA-N 0 3 469.925 5.385 50 0 JKAAHN CCN(CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2c(s1)c(C)ccc2OC ZINC000010067281 555614403 /nfs/dbraw/zinc/61/44/03/555614403.db2.gz RJIZCNVBQXIJNU-UHFFFAOYSA-N 0 3 454.621 5.212 50 0 JKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000013770510 555614583 /nfs/dbraw/zinc/61/45/83/555614583.db2.gz UWYACZATRJHYMB-CYXNTTPDSA-N 0 3 490.531 5.064 50 0 JKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000013770822 555614921 /nfs/dbraw/zinc/61/49/21/555614921.db2.gz PCHRNFDRVIKOHO-BDTNDASRSA-N 0 3 453.325 5.353 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(F)cc4)o3)[C@H]2C(=O)N1c1ccccc1 ZINC000013776703 555616753 /nfs/dbraw/zinc/61/67/53/555616753.db2.gz BMXLBVHMRKTPIY-UBFVSLLYSA-N 0 3 454.457 5.137 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013803840 555622200 /nfs/dbraw/zinc/62/22/00/555622200.db2.gz ZYRXTCLITDHOAN-NJDAHSKKSA-N 0 3 488.849 5.290 50 0 JKAAHN CCCSc1nc2sc3c(c2c2nnc(SCCN4CCCCC4)n21)[C@H](C)CCC3 ZINC000013811114 555627144 /nfs/dbraw/zinc/62/71/44/555627144.db2.gz OENCTCLHKZTTCD-OAHLLOKOSA-N 0 3 461.726 5.859 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(C)cc1)c1c3nc(-c4ccncc4)nn3cnc1O2 ZINC000013811696 555628817 /nfs/dbraw/zinc/62/88/17/555628817.db2.gz CCBFEXPJLRAUMO-HSZRJFAPSA-N 0 3 471.524 5.275 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(C)cc1)c1c3nc(-c4cccnc4)nn3cnc1O2 ZINC000013815855 555629262 /nfs/dbraw/zinc/62/92/62/555629262.db2.gz SARZYFFJDIYQSV-QHCPKHFHSA-N 0 3 471.524 5.275 50 0 JKAAHN CCOc1ccc(CN2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000013896046 555643209 /nfs/dbraw/zinc/64/32/09/555643209.db2.gz FIWGTYWZCBXFTC-UHFFFAOYSA-N 0 3 456.630 5.569 50 0 JKAAHN C[C@@H](CCc1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1OC1CCN(Cc2ccccc2)CC1 ZINC000013896777 555644225 /nfs/dbraw/zinc/64/42/25/555644225.db2.gz AXGWTWRIKVAAQZ-YUDQIZAISA-N 0 3 458.646 5.728 50 0 JKAAHN C[C@@H](CCc1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1OC1CCN(Cc2ccccc2)CC1 ZINC000013896771 555644274 /nfs/dbraw/zinc/64/42/74/555644274.db2.gz AXGWTWRIKVAAQZ-JHOBJCJYSA-N 0 3 458.646 5.728 50 0 JKAAHN CCCCc1c(C)c(/C=C2/N=CC(C)=C2C)[nH]c1CC1=N/C(=C/c2[nH]cc(C)c2C)C(C)=C1CCCC ZINC000020111249 555647854 /nfs/dbraw/zinc/64/78/54/555647854.db2.gz NTZQFUWXKCWTBC-CKBZQNFZSA-N 0 3 496.743 8.917 50 0 biogenic JKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2ccc(Cl)cc2Cl)c1 ZINC000020112065 555649276 /nfs/dbraw/zinc/64/92/76/555649276.db2.gz LSJSSUDZFWEASB-RUZDIDTESA-N 0 3 483.395 6.306 50 0 biogenic JKAAHN O=C1c2ccccc2[C@@H](OC2CCN(Cc3ccccc3)CC2)N1CCc1ccc(Cl)cc1 ZINC000013939929 555649880 /nfs/dbraw/zinc/64/98/80/555649880.db2.gz OQLWLGQLDPYKJK-MUUNZHRXSA-N 0 3 461.005 5.718 50 0 JKAAHN CC(C)C[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCCN1CCC(C)CC1 ZINC000020116219 555653824 /nfs/dbraw/zinc/65/38/24/555653824.db2.gz BFVWKUGHDJGCEM-LNGGCWNSSA-N 0 3 493.736 5.147 50 0 JKAAHN O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020149776 555665371 /nfs/dbraw/zinc/66/53/71/555665371.db2.gz KEBGKLFCQOGUEO-UHFFFAOYSA-N 0 3 464.634 6.790 50 0 JKAAHN CCC1=Nc2cc(C(=O)NCCCN3CCc4ccccc4C3)ccc2Sc2ccc(C)cc21 ZINC000020178997 555684451 /nfs/dbraw/zinc/68/44/51/555684451.db2.gz JLUGCDDPLKMNBQ-UHFFFAOYSA-N 0 3 469.654 6.169 50 0 JKAAHN CN(CCNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000020181395 555688576 /nfs/dbraw/zinc/68/85/76/555688576.db2.gz KUTFMNXNBCWVLV-KOEQRZSOSA-N 0 3 492.044 5.068 50 0 JKAAHN CCC[C@@H](NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1)c1ccccc1 ZINC000010435900 555709999 /nfs/dbraw/zinc/70/99/99/555709999.db2.gz QQNNLPPXTQWWEA-XMMPIXPASA-N 0 3 458.429 7.602 50 0 JKAAHN N=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000020237363 555731530 /nfs/dbraw/zinc/73/15/30/555731530.db2.gz XYBXXWYLSCUMMV-UHFFFAOYSA-N 0 3 451.526 5.656 50 0 JKAAHN Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)sc21 ZINC000020239217 555733391 /nfs/dbraw/zinc/73/33/91/555733391.db2.gz IUYGIGUQHBOKIN-UHFFFAOYSA-N 0 3 465.022 5.350 50 0 JKAAHN CCN(CC)[C@@H](CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1cccc(OC)c1 ZINC000010917462 555747383 /nfs/dbraw/zinc/74/73/83/555747383.db2.gz HOZKWQQNIHEQBG-QFIPXVFZSA-N 0 3 486.037 5.475 50 0 JKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355189 555782695 /nfs/dbraw/zinc/78/26/95/555782695.db2.gz KXTHRFIBIWNSHG-DYIFSOBNSA-N 0 3 495.623 5.176 50 0 JKAAHN CCN(CC)CCN(C(=O)c1cc2ccccc2cc1OC)c1nc2ccc(F)cc2s1 ZINC000011612417 555789836 /nfs/dbraw/zinc/78/98/36/555789836.db2.gz NWCMEBYXDVYBII-UHFFFAOYSA-N 0 3 451.567 5.586 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000011666664 555797110 /nfs/dbraw/zinc/79/71/10/555797110.db2.gz YZAWMMKIZCUHBP-QHAWAJNXSA-N 0 3 490.840 5.549 50 0 JKAAHN CCc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)cc1 ZINC000020532143 555799945 /nfs/dbraw/zinc/79/99/45/555799945.db2.gz ZHCQOZQSKJVUBU-QHCPKHFHSA-N 0 3 464.679 6.388 50 0 JKAAHN Cc1cc(C)cc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)c1 ZINC000020532151 555800421 /nfs/dbraw/zinc/80/04/21/555800421.db2.gz UEGHOKCLJJXPKG-HSZRJFAPSA-N 0 3 464.679 6.443 50 0 JKAAHN CCOc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)cc1 ZINC000020532167 555800513 /nfs/dbraw/zinc/80/05/13/555800513.db2.gz WVKQDDLCRPSULR-QHCPKHFHSA-N 0 3 480.678 6.224 50 0 JKAAHN 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ZINC000015678414 555943599 /nfs/dbraw/zinc/94/35/99/555943599.db2.gz FFALSUZVVKRQLC-UHFFFAOYSA-N 0 3 453.630 5.569 50 0 JKAAHN Cc1ccn(CCC(=O)N(CCN(C)C)Cc2cc3cc4c(cc3nc2-c2cccc(C)c2)CCC4)n1 ZINC000012242870 555945814 /nfs/dbraw/zinc/94/58/14/555945814.db2.gz OIWLGZQYWQXMAE-UHFFFAOYSA-N 0 3 495.671 5.184 50 0 JKAAHN Cc1cccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3)CC2)c1C ZINC000015679712 555946614 /nfs/dbraw/zinc/94/66/14/555946614.db2.gz QRXUPTBGYZXEJZ-UHFFFAOYSA-N 0 3 471.601 5.731 50 0 JKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1CN1CCCC[C@@H]1c1cccnc1 ZINC000012318399 555951056 /nfs/dbraw/zinc/95/10/56/555951056.db2.gz OGINYXKCGXTSFR-IAPPQJPRSA-N 0 3 452.602 5.534 50 0 JKAAHN CCN(CC)CCN(C(=O)c1cc2ccccc2oc1=O)c1nc2c(s1)c(Cl)ccc2OC ZINC000012345268 555956316 /nfs/dbraw/zinc/95/63/16/555956316.db2.gz KWKAUABRTIKBLI-UHFFFAOYSA-N 0 3 485.993 5.053 50 0 JKAAHN CC1(C)O[C@]2(CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)CN1C(=O)CSC1=NCCN1 ZINC000012402485 555976431 /nfs/dbraw/zinc/97/64/31/555976431.db2.gz FJIROWAKFHDSJC-HEKVMWRDSA-N 0 3 487.754 5.445 50 0 biogenic JKAAHN COc1ccc([C@@H](CNCc2ccc(OCc3csc(C)n3)c(OC)c2)N2CCCCC2)cc1 ZINC000022928669 555979732 /nfs/dbraw/zinc/97/97/32/555979732.db2.gz DXDBVCJNGBXYQX-RUZDIDTESA-N 0 3 481.662 5.365 50 0 JKAAHN CC[C@@H]1CCCCN1Cc1ccc(CNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)o1 ZINC000015734909 555980745 /nfs/dbraw/zinc/98/07/45/555980745.db2.gz BCBHQWZNXSNNJI-OAQYLSRUSA-N 0 3 493.677 5.095 50 0 JKAAHN COC(=O)c1ccc(CN2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)cc1 ZINC000012450535 555980859 /nfs/dbraw/zinc/98/08/59/555980859.db2.gz FVHRXRFBRBDVJZ-UHFFFAOYSA-N 0 3 478.596 5.680 50 0 JKAAHN Cc1ccsc1CN1CCC(O)(c2ccc3oc(C(=O)NCCc4ccccc4F)cc3c2)CC1 ZINC000012455722 555981289 /nfs/dbraw/zinc/98/12/89/555981289.db2.gz RCWUXIUEBYSREW-UHFFFAOYSA-N 0 3 492.616 5.398 50 0 JKAAHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccc(C(F)(F)F)c2)N2C[C@H](C)C[C@H](C)C2)c1C ZINC000012485567 555987599 /nfs/dbraw/zinc/98/75/99/555987599.db2.gz YIYHGBBJAPVMAK-PXAQALGRSA-N 0 3 490.591 7.296 50 0 JKAAHN COc1cc([C@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)ccc1OCC(C)C ZINC000012529255 555998802 /nfs/dbraw/zinc/99/88/02/555998802.db2.gz FXJIUWCWFITSLG-KDYSTLNUSA-N 0 3 495.450 7.343 50 0 JKAAHN O=C(C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1)N1CCCCC1 ZINC000015825910 556013483 /nfs/dbraw/zinc/01/34/83/556013483.db2.gz QKISLUZOXYRZLU-UHFFFAOYSA-N 0 3 450.026 5.568 50 0 JKAAHN COc1ccc(-c2nc3ccc(C(=O)NCCN4CCCCC4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000015827600 556014944 /nfs/dbraw/zinc/01/49/44/556014944.db2.gz VIXMGDNTYCWZCL-UHFFFAOYSA-N 0 3 496.611 5.197 50 0 JKAAHN COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCC(C)CC2)cc1 ZINC000015859376 556029691 /nfs/dbraw/zinc/02/96/91/556029691.db2.gz FXZASRCFUJAURZ-VWLOTQADSA-N 0 3 460.599 6.577 50 0 JKAAHN CSc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)N2CCC(C)CC2)cc1 ZINC000015859612 556030774 /nfs/dbraw/zinc/03/07/74/556030774.db2.gz VWZVSUWAKXOFEX-NDEPHWFRSA-N 0 3 484.665 7.537 50 0 JKAAHN CSc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)N2CCC(C)CC2)cc1 ZINC000015859611 556030788 /nfs/dbraw/zinc/03/07/88/556030788.db2.gz VWZVSUWAKXOFEX-MUUNZHRXSA-N 0 3 484.665 7.537 50 0 JKAAHN Cc1ccc(C)c(N2CCN(CCCNc3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)c1 ZINC000015864922 556040750 /nfs/dbraw/zinc/04/07/50/556040750.db2.gz JIBIGWDQOXOEET-UHFFFAOYSA-N 0 3 492.092 6.253 50 0 JKAAHN CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)CN[C@H]2CCCc3ccccc32)ccc1Cl ZINC000012555701 556041282 /nfs/dbraw/zinc/04/12/82/556041282.db2.gz NWYUTTDVSKOYFF-DEOSSOPVSA-N 0 3 498.048 5.161 50 0 JKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000012558309 556047620 /nfs/dbraw/zinc/04/76/20/556047620.db2.gz DUGZYNAJVLVDKS-XUZZJYLKSA-N 0 3 454.599 5.357 50 0 JKAAHN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](NCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000012563633 556058638 /nfs/dbraw/zinc/05/86/38/556058638.db2.gz VONNUPAYOBXJPH-QSHMCURRSA-N 0 3 476.970 6.845 50 0 JKAAHN COc1ccc(OC)c(-c2cccc(-c3nc(CN(CCC(C)C)CCC(C)C)cs3)c2)c1 ZINC000023444251 556061721 /nfs/dbraw/zinc/06/17/21/556061721.db2.gz RTVXWMRHOBWANS-UHFFFAOYSA-N 0 3 466.691 7.389 50 0 JKAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N[C@H](C)C13CC4CC(CC(C4)C1)C3)C[C@@H](C)CC2 ZINC000012566334 556064215 /nfs/dbraw/zinc/06/42/15/556064215.db2.gz JFEMLVUKXMCDEG-JVOPRISDSA-N 0 3 472.695 5.571 50 0 JKAAHN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](NCCCn1ccnc1)c1ccccc1 ZINC000012566502 556064434 /nfs/dbraw/zinc/06/44/34/556064434.db2.gz UIXYDSKZHXKBFV-XMMPIXPASA-N 0 3 488.613 5.148 50 0 JKAAHN CCN(C)CCN(CC)C(=O)CCc1cc2c(n1-c1ccc(C)cc1OC)-c1ccccc1OC2 ZINC000023450694 556065426 /nfs/dbraw/zinc/06/54/26/556065426.db2.gz DTNSMOMBFJSDIP-UHFFFAOYSA-N 0 3 475.633 5.087 50 0 JKAAHN CCCNCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CC[C@H](C(C)(C)C)C2 ZINC000015946026 556082172 /nfs/dbraw/zinc/08/21/72/556082172.db2.gz YKOXYHMSYBJYGV-INIZCTEOSA-N 0 3 487.666 5.107 50 0 JKAAHN COc1ccc(NC(=O)c2c(NC(=O)CNCC(C)C)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000015946551 556083263 /nfs/dbraw/zinc/08/32/63/556083263.db2.gz QVCUEXXCOIFOFB-QGZVFWFLSA-N 0 3 471.667 5.344 50 0 JKAAHN Cc1cc(Br)c(NC(=O)[C@@H](C)N[C@@H]2CCCc3ccccc32)c(Br)c1 ZINC000012630875 556093398 /nfs/dbraw/zinc/09/33/98/556093398.db2.gz BEOGAYAWHNPLBW-FZKQIMNGSA-N 0 3 466.217 5.514 50 0 JKAAHN CCCN(C(=O)Cc1cccc2ccccc21)C1(C(=O)Nc2ccccc2)CCN(C(C)C)CC1 ZINC000015980667 556099520 /nfs/dbraw/zinc/09/95/20/556099520.db2.gz AJMZAPBTAAVNLH-UHFFFAOYSA-N 0 3 471.645 5.503 50 0 JKAAHN C[C@H](OC[C@@H](O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000016043657 556123088 /nfs/dbraw/zinc/12/30/88/556123088.db2.gz ICEYOUKMGLFQNF-DWACAAAGSA-N 0 3 480.048 5.427 50 0 JKAAHN COc1ccc(NC(=O)c2ccc(NC(=O)CN[C@H](C)c3cccc4ccccc43)cc2)cc1 ZINC000012920907 556139386 /nfs/dbraw/zinc/13/93/86/556139386.db2.gz FRIMNRYVUCTVRA-LJQANCHMSA-N 0 3 453.542 5.390 50 0 JKAAHN COc1ccc(CN(Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H](C)Cc2cccs2)cc1 ZINC000024762450 556152205 /nfs/dbraw/zinc/15/22/05/556152205.db2.gz DBSXQKRREACMNX-KRWDZBQOSA-N 0 3 453.995 5.051 50 0 JKAAHN COc1ccc(CN(Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H](C)Cc2cccs2)cc1 ZINC000024762459 556152243 /nfs/dbraw/zinc/15/22/43/556152243.db2.gz DBSXQKRREACMNX-QGZVFWFLSA-N 0 3 453.995 5.051 50 0 JKAAHN CC[C@H](NCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccc(Br)cc1 ZINC000012990575 556183764 /nfs/dbraw/zinc/18/37/64/556183764.db2.gz HNTKHPPXCGCNDF-NRFANRHFSA-N 0 3 496.405 5.389 50 0 JKAAHN CCCN1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000025578394 556224337 /nfs/dbraw/zinc/22/43/37/556224337.db2.gz LTFOHLYEYYOTAE-JOCHJYFZSA-N 0 3 460.405 5.748 50 0 JKAAHN CCCN1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000025578371 556224389 /nfs/dbraw/zinc/22/43/89/556224389.db2.gz CKVYSNFCVIVVSY-RUZDIDTESA-N 0 3 480.439 6.892 50 0 JKAAHN Brc1ccc(-c2nnc3sc(CN4CCC(Cc5ccccc5)CC4)cn32)cc1 ZINC000017178711 556233449 /nfs/dbraw/zinc/23/34/49/556233449.db2.gz XCKIDSUWDWRPME-UHFFFAOYSA-N 0 3 467.436 5.675 50 0 JKAAHN COc1cccc([C@@H](CNc2nc(C)nc3scc(-c4ccc(OC)c(OC)c4)c32)N(C)C)c1 ZINC000013039144 556239232 /nfs/dbraw/zinc/23/92/32/556239232.db2.gz AIQWEORHIWFQFJ-OAQYLSRUSA-N 0 3 478.618 5.407 50 0 JKAAHN COC(=O)c1c2c(sc1NC(=O)c1ccc(C(=O)c3ccccc3)cc1)C(C)(C)NC(C)(C)C2 ZINC000017242868 556243978 /nfs/dbraw/zinc/24/39/78/556243978.db2.gz NIYCGKTYRGUBAK-UHFFFAOYSA-N 0 3 476.598 5.177 50 0 JKAAHN CCCN1CCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000013041165 556245953 /nfs/dbraw/zinc/24/59/53/556245953.db2.gz YUEGMIKBCTUJBG-UHFFFAOYSA-N 0 3 459.084 5.658 50 0 JKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(OC)c1 ZINC000018010688 556276077 /nfs/dbraw/zinc/27/60/77/556276077.db2.gz LSOWSSNQULASJV-ZLNRFVROSA-N 0 3 499.350 5.062 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(C(F)(F)F)c3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000018056195 556280628 /nfs/dbraw/zinc/28/06/28/556280628.db2.gz VMZODESNPGWALM-NJDAHSKKSA-N 0 3 472.850 5.410 50 0 JKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000018068964 556283379 /nfs/dbraw/zinc/28/33/79/556283379.db2.gz HRXCMALIDFAQLU-NXCFDTQHSA-N 0 3 490.531 5.064 50 0 JKAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)C3ON2c2ccccc2)c1 ZINC000018068431 556283462 /nfs/dbraw/zinc/28/34/62/556283462.db2.gz HYGAUVLNAWWTMG-SJBKTWHCSA-N 0 3 469.324 5.053 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000018084725 556285575 /nfs/dbraw/zinc/28/55/75/556285575.db2.gz JHWYEMZUASUQBO-QHAWAJNXSA-N 0 3 457.288 5.184 50 0 JKAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000018099649 556287416 /nfs/dbraw/zinc/28/74/16/556287416.db2.gz COLRNCLXYGUNNM-VSKRKVRLSA-N 0 3 469.324 5.053 50 0 JKAAHN CCCc1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000027585103 556300653 /nfs/dbraw/zinc/30/06/53/556300653.db2.gz ZQQOIKBAEQFUKM-UHFFFAOYSA-N 0 3 487.651 6.260 50 0 JKAAHN CCN1CCN(c2ccc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)cc2C)CC1 ZINC000013102357 556303316 /nfs/dbraw/zinc/30/33/16/556303316.db2.gz PPLNMBWZFHNYOH-UHFFFAOYSA-N 0 3 459.619 5.098 50 0 JKAAHN CN1CN(c2ccccc2)C2(CCN(CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000028097110 556316089 /nfs/dbraw/zinc/31/60/89/556316089.db2.gz UCICWTBCCDQNIJ-UHFFFAOYSA-N 0 3 490.598 5.264 50 0 JKAAHN CCN(CC)[C@H](CNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc21)c1ccc(C(C)C)cc1 ZINC000028403062 556332670 /nfs/dbraw/zinc/33/26/70/556332670.db2.gz TZMOHQSSIBUNBP-WJOKGBTCSA-N 0 3 495.667 6.847 50 0 JKAAHN COC(=O)c1ccc(CN2CCC(c3ncncc3-c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000019225554 556336122 /nfs/dbraw/zinc/33/61/22/556336122.db2.gz IBIIIOHYWLEFQZ-UHFFFAOYSA-N 0 3 455.480 5.329 50 0 JKAAHN O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000019313135 556339914 /nfs/dbraw/zinc/33/99/14/556339914.db2.gz UAAIAELDYVRREY-BSBODGDASA-N 0 3 494.466 5.793 50 0 JKAAHN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)NC[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000028804057 556341560 /nfs/dbraw/zinc/34/15/60/556341560.db2.gz KSTAYNRDCSOSJB-QFQXNSOFSA-N 0 3 491.639 5.934 50 0 JKAAHN CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3C=C12 ZINC000019370134 556346595 /nfs/dbraw/zinc/34/65/95/556346595.db2.gz MFRKKZWZFLPJOP-FDCUTXSFSA-N 0 3 482.668 5.628 50 0 biogenic JKAAHN c1ccc(C(c2ccccc2)N2CCN([C@@H]3Cc4ccccc4Sc4ccccc43)CC2)cc1 ZINC000019370789 556346602 /nfs/dbraw/zinc/34/66/02/556346602.db2.gz ZBIBZVREOIJCAI-MUUNZHRXSA-N 0 3 462.662 6.842 50 0 JKAAHN c1ccc2c(c1)CCc1ccccc1C2N1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000019369532 556346631 /nfs/dbraw/zinc/34/66/31/556346631.db2.gz WWKJCJZKWITBJM-UHFFFAOYSA-N 0 3 470.660 6.380 50 0 JKAAHN Fc1ccc(-c2csc3ncnc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)c23)cc1 ZINC000019682027 556359739 /nfs/dbraw/zinc/35/97/39/556359739.db2.gz PPXFSTAQJLAOTR-UHFFFAOYSA-N 0 3 480.612 6.409 50 0 JKAAHN Cc1ccc2ccccc2c1CN1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000019682036 556359752 /nfs/dbraw/zinc/35/97/52/556359752.db2.gz SVJYORGUUFUDKI-UHFFFAOYSA-N 0 3 468.601 6.281 50 0 JKAAHN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(CCC1=C(C)CCCC1(C)C)CC2 ZINC000019732595 556363004 /nfs/dbraw/zinc/36/30/04/556363004.db2.gz KVLMXTDGOPNECH-HHHXNRCGSA-N 0 3 454.054 7.221 50 0 JKAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1 ZINC000030804129 556374820 /nfs/dbraw/zinc/37/48/20/556374820.db2.gz IDTLGJOGRAUKBB-UHFFFAOYSA-N 0 3 450.586 5.408 50 0 JKAAHN CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccc(-c3ccccc3)cc2)CN1Cc1cccc(Cl)c1 ZINC000032581035 556447300 /nfs/dbraw/zinc/44/73/00/556447300.db2.gz UMBUYPGYFZHYJM-SXOMAYOGSA-N 0 3 462.037 5.264 50 0 JKAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000032622856 556452724 /nfs/dbraw/zinc/45/27/24/556452724.db2.gz JTDZAWCUESOPFF-IBGZPJMESA-N 0 3 465.764 5.250 50 0 JKAAHN CCN1CCN(CCCNc2nc(CSc3ccccc3)nc3sc(C)c(C)c32)CC1 ZINC000032916251 556540158 /nfs/dbraw/zinc/54/01/58/556540158.db2.gz GSIBLOLJNYHMQH-UHFFFAOYSA-N 0 3 455.697 5.040 50 0 JKAAHN CCN1CCN(CCCCNc2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)CC1 ZINC000032916216 556540317 /nfs/dbraw/zinc/54/03/17/556540317.db2.gz ITFQNSFJOUNPRU-UHFFFAOYSA-N 0 3 481.735 5.302 50 0 JKAAHN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2ccc(OC)c(Br)c2)cc1 ZINC000008441436 562939326 /nfs/dbraw/zinc/93/93/26/562939326.db2.gz PFOWSJHGZXFGSF-UHFFFAOYSA-N 0 3 498.417 5.830 50 0 JKAAHN COc1ccc2nc(C)cc(Nc3ccc(Oc4ccc(Cl)c5ccccc45)c(Cl)c3)c2c1 ZINC000008453674 562939477 /nfs/dbraw/zinc/93/94/77/562939477.db2.gz MKPVHTVXISJQPO-UHFFFAOYSA-N 0 3 475.375 8.548 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC000008590241 562942607 /nfs/dbraw/zinc/94/26/07/562942607.db2.gz JCZLGELMCFHOND-OAHLLOKOSA-N 0 3 489.041 5.470 50 0 JKAAHN CC[C@@H](NC(=O)Nc1cc(OC)ccc1OC)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000008619118 562948320 /nfs/dbraw/zinc/94/83/20/562948320.db2.gz CAPMBDOURMKUGE-LJQANCHMSA-N 0 3 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CC[C@@H](C)N(Cc1sccc1C)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1 ZINC000034836403 569665647 /nfs/dbraw/zinc/66/56/47/569665647.db2.gz OLLLVGRAJXQJPS-OAQYLSRUSA-N 0 3 483.701 5.632 50 0 JKAAHN CCCc1nn(-c2cccc(F)c2)c(N2CCN(CC)CC2)c1CN(CC)CCCc1ccccc1 ZINC000034836597 569665690 /nfs/dbraw/zinc/66/56/90/569665690.db2.gz RPEZTXPTSUINMK-UHFFFAOYSA-N 0 3 491.699 5.561 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CC)Cc1cccc(Cl)c1 ZINC000034836754 569665854 /nfs/dbraw/zinc/66/58/54/569665854.db2.gz BXFYKZIMOPUVFN-UHFFFAOYSA-N 0 3 466.073 5.170 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(Cc1ccc(F)cc1)C(C)C ZINC000034836621 569665889 /nfs/dbraw/zinc/66/58/89/569665889.db2.gz CBLNRCXKQIYQNN-UHFFFAOYSA-N 0 3 463.645 5.045 50 0 JKAAHN CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(Cc1cccc(C)c1)C(C)C ZINC000034836840 569665932 /nfs/dbraw/zinc/66/59/32/569665932.db2.gz RVLBSPGHBSWQJE-UHFFFAOYSA-N 0 3 459.682 5.296 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(C[C@@H](C)c1ccccc1)C(C)C 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Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2Cc4ccccc4CN2[C@@H]3c2ccc(Br)cc2)cc1 ZINC000035369359 569682838 /nfs/dbraw/zinc/68/28/38/569682838.db2.gz IHCCNYSQNVISOB-ZGFBMJKBSA-N 0 3 487.397 5.045 50 0 JKAAHN CC1CCN(C(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)CC1 ZINC000035451443 569696882 /nfs/dbraw/zinc/69/68/82/569696882.db2.gz URINYTPQLSBOKD-UHFFFAOYSA-N 0 3 464.053 5.814 50 0 JKAAHN O=C(NCCc1c[nH]c2ccccc12)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000035451384 569696943 /nfs/dbraw/zinc/69/69/43/569696943.db2.gz DPMMGDMTARAOAJ-UHFFFAOYSA-N 0 3 490.651 5.742 50 0 JKAAHN O=c1c2sccc2nc(SCc2ccc(F)cc2Cl)n1CCCN1CCCCC1 ZINC000071768756 569697639 /nfs/dbraw/zinc/69/76/39/569697639.db2.gz GGCYSWJGRCYVID-UHFFFAOYSA-N 0 3 452.020 5.419 50 0 JKAAHN O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1CCCN1CCCCC1 ZINC000071768755 569697644 /nfs/dbraw/zinc/69/76/44/569697644.db2.gz CQHCKBMZDDVDKI-UHFFFAOYSA-N 0 3 452.020 5.419 50 0 JKAAHN O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000035511075 569698307 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0 JKAAHN CCOc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCN(CC)CC4)n3c2)c1 ZINC000085421385 569710795 /nfs/dbraw/zinc/71/07/95/569710795.db2.gz LPIPYJZVKIQFEY-UHFFFAOYSA-N 0 3 475.036 5.858 50 0 JKAAHN Cc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCCCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000035815752 569712513 /nfs/dbraw/zinc/71/25/13/569712513.db2.gz IGXRCJGEZYHEHX-GDLZYMKVSA-N 0 3 497.658 6.261 50 0 JKAAHN COc1ccc(Nc2nc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)cc3occc32)cc1 ZINC000085651162 569713089 /nfs/dbraw/zinc/71/30/89/569713089.db2.gz BPFVULSKKDCIOK-UHFFFAOYSA-N 0 3 484.600 5.265 50 0 JKAAHN O=C(NCCN1CCC(Cc2ccccc2)CC1)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000085651198 569713123 /nfs/dbraw/zinc/71/31/23/569713123.db2.gz ZYUBUKKESMHWKT-UHFFFAOYSA-N 0 3 472.564 5.395 50 0 JKAAHN CN(C)c1ccc(C2=NO[C@@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C3CCCC3)C2)cc1 ZINC000035835132 569713384 /nfs/dbraw/zinc/71/33/84/569713384.db2.gz GTXUTQKWEAJXEE-HSZRJFAPSA-N 0 3 473.539 5.483 50 0 JKAAHN COc1cccc(Cn2cccc2CN(C[C@H](O)COCc2ccco2)CC2CCCCC2)c1 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MFBVYOIUUMYYFA-UHFFFAOYSA-N 0 3 476.533 7.416 50 0 JKAAHN CC(C)[C@H](C)N(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)cc(F)c1 ZINC000035844698 569715273 /nfs/dbraw/zinc/71/52/73/569715273.db2.gz TYTWVPDEUOWSPB-SFHVURJKSA-N 0 3 450.495 6.880 50 0 JKAAHN CCn1cc([C@H](CC(=O)NCCN2CCCCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035872200 569719199 /nfs/dbraw/zinc/71/91/99/569719199.db2.gz GELHRDWSZPZNIT-GDLZYMKVSA-N 0 3 495.667 6.578 50 0 JKAAHN CCn1cc([C@@H](CC(=O)N(CCN(C)C)Cc2ccccc2)c2cccc(C)c2)c2ccccc21 ZINC000035872464 569719369 /nfs/dbraw/zinc/71/93/69/569719369.db2.gz UUJXUYFPJGJCJT-NDEPHWFRSA-N 0 3 467.657 6.082 50 0 JKAAHN Cn1cc([C@H](CC(=O)NCCN2CCCCC2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000035891761 569722159 /nfs/dbraw/zinc/72/21/59/569722159.db2.gz GHWTVDWUJLEODG-JOCHJYFZSA-N 0 3 457.540 5.321 50 0 JKAAHN O[C@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000095398219 569723107 /nfs/dbraw/zinc/72/31/07/569723107.db2.gz QSOCLADLLOBEPI-QHCPKHFHSA-N 0 3 473.620 5.543 50 0 JKAAHN Cc1ncc(CN(C)Cc2ccccc2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000095476359 569724351 /nfs/dbraw/zinc/72/43/51/569724351.db2.gz NNQZPRIBVDLLQU-UHFFFAOYSA-N 0 3 454.482 5.270 50 0 JKAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000095483615 569725103 /nfs/dbraw/zinc/72/51/03/569725103.db2.gz WJYSGRZSOSVSBB-OAQYLSRUSA-N 0 3 468.428 5.280 50 0 JKAAHN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2)cc1)NCCN1CCCC1 ZINC000035910591 569725967 /nfs/dbraw/zinc/72/59/67/569725967.db2.gz NTCQHTUEWNHMEH-HHHXNRCGSA-N 0 3 467.613 5.481 50 0 JKAAHN CCCC/C(=C(/c1ccc(OC)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1 ZINC000095918072 569729390 /nfs/dbraw/zinc/72/93/90/569729390.db2.gz XUVJWRMVZQWBPT-NVQSTNCTSA-N 0 3 455.642 7.319 50 0 JKAAHN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(Cc3ccc(OC)cc3)CC2)n1 ZINC000035926123 569729410 /nfs/dbraw/zinc/72/94/10/569729410.db2.gz GHFHULZGHFSAQP-QFIPXVFZSA-N 0 3 484.648 5.440 50 0 JKAAHN COc1ccc(/C(=C(/CC(C)C)c2ccccc2)c2ccc(OCCN3CCCC3)cc2)cc1 ZINC000095918074 569729474 /nfs/dbraw/zinc/72/94/74/569729474.db2.gz KECNNCSXZJZARI-NVQSTNCTSA-N 0 3 455.642 7.175 50 0 JKAAHN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000035926126 569729563 /nfs/dbraw/zinc/72/95/63/569729563.db2.gz OLRNNQDDLVXLDQ-OAQYLSRUSA-N 0 3 472.612 5.571 50 0 JKAAHN Fc1ccc(C(CCCN2CC=C(Oc3ccc(F)c(Cl)c3)CC2)c2ccc(F)cc2)cc1 ZINC000095918220 569729626 /nfs/dbraw/zinc/72/96/26/569729626.db2.gz AOJOOCPRELEJTC-UHFFFAOYSA-N 0 3 471.950 7.338 50 0 JKAAHN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(Cc3cccc(OC)c3)CC2)n1 ZINC000035926132 569729673 /nfs/dbraw/zinc/72/96/73/569729673.db2.gz GPXOWNDZGNIJPO-JOCHJYFZSA-N 0 3 484.648 5.440 50 0 JKAAHN Fc1ccc(C(CCCN2CC=C(Oc3ccccc3Cl)CC2)c2ccc(F)cc2)cc1 ZINC000095918150 569729709 /nfs/dbraw/zinc/72/97/09/569729709.db2.gz WCVJKECOKMQFDX-UHFFFAOYSA-N 0 3 453.960 7.199 50 0 JKAAHN Cc1ncc(CN[C@@H](CO)Cc2ccccc2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116466 569735490 /nfs/dbraw/zinc/73/54/90/569735490.db2.gz ZNQGUIKJDFHIMZ-HSZRJFAPSA-N 0 3 480.564 5.092 50 0 biogenic JKAAHN CCOC(=O)C1=C(CN(C)C2CCCCC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000035991386 569744515 /nfs/dbraw/zinc/74/45/15/569744515.db2.gz KOKKJIZHJFAVCD-NRFANRHFSA-N 0 3 468.425 5.161 50 0 JKAAHN O=C1[C@@H]2[C@H](c3ccc(Cl)cc3Cl)N[C@@H](Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000100210945 569755473 /nfs/dbraw/zinc/75/54/73/569755473.db2.gz JZNSHSOKIWJMSS-BJESRGMDSA-N 0 3 451.353 5.055 50 0 JKAAHN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCC(C)C)C[C@H](O)COCc1ccco1 ZINC000036249754 569758013 /nfs/dbraw/zinc/75/80/13/569758013.db2.gz JHOUBHRGOFTJIF-QHCPKHFHSA-N 0 3 487.616 5.346 50 0 JKAAHN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCC(C)C)C[C@H](O)COCc1ccccc1 ZINC000036249750 569758016 /nfs/dbraw/zinc/75/80/16/569758016.db2.gz UWCHKQSLWHVZTA-SANMLTNESA-N 0 3 497.655 5.753 50 0 JKAAHN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@H](O)COC(C)C ZINC000036301718 569759135 /nfs/dbraw/zinc/75/91/35/569759135.db2.gz YNBSHMBZZJOKDM-DEOSSOPVSA-N 0 3 486.056 5.870 50 0 JKAAHN CCC[C@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036301812 569759170 /nfs/dbraw/zinc/75/91/70/569759170.db2.gz ZOOLIKCETCQRDK-QHCPKHFHSA-N 0 3 454.014 5.999 50 0 JKAAHN CCC[C@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036301696 569759197 /nfs/dbraw/zinc/75/91/97/569759197.db2.gz JUFFMTMSRPDFBK-QHCPKHFHSA-N 0 3 484.040 6.008 50 0 JKAAHN COC[C@@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036301759 569759239 /nfs/dbraw/zinc/75/92/39/569759239.db2.gz ONRKOPPFINKODL-QFIPXVFZSA-N 0 3 458.002 5.092 50 0 JKAAHN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@@H](O)COC(C)C ZINC000036301721 569759279 /nfs/dbraw/zinc/75/92/79/569759279.db2.gz YNBSHMBZZJOKDM-XMMPIXPASA-N 0 3 486.056 5.870 50 0 JKAAHN CCC[C@@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036301815 569759307 /nfs/dbraw/zinc/75/93/07/569759307.db2.gz ZOOLIKCETCQRDK-HSZRJFAPSA-N 0 3 454.014 5.999 50 0 JKAAHN O[C@@H](COCc1ccccc1)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313038 569760661 /nfs/dbraw/zinc/76/06/61/569760661.db2.gz VVZSJFRVSLCXGE-AREMUKBSSA-N 0 3 475.633 5.122 50 0 JKAAHN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036313798 569761142 /nfs/dbraw/zinc/76/11/42/569761142.db2.gz UKTLQGMFGIMSNI-DEOSSOPVSA-N 0 3 495.664 5.524 50 0 JKAAHN CCCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313792 569761145 /nfs/dbraw/zinc/76/11/45/569761145.db2.gz IHLKAKMFSJLGDE-JOCHJYFZSA-N 0 3 451.611 5.651 50 0 JKAAHN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC(C)C ZINC000036313828 569761157 /nfs/dbraw/zinc/76/11/57/569761157.db2.gz ZETAPCADKPSRQB-DEOSSOPVSA-N 0 3 483.628 5.654 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036313825 569761160 /nfs/dbraw/zinc/76/11/60/569761160.db2.gz MWNNOYITAPLERS-QHCPKHFHSA-N 0 3 451.586 5.782 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036313921 569761384 /nfs/dbraw/zinc/76/13/84/569761384.db2.gz IAXKKYQXQKGVNM-DEOSSOPVSA-N 0 3 463.622 5.745 50 0 JKAAHN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036313966 569761605 /nfs/dbraw/zinc/76/16/05/569761605.db2.gz KCUBESSYGYLPHH-VWLOTQADSA-N 0 3 477.649 5.577 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036313969 569761677 /nfs/dbraw/zinc/76/16/77/569761677.db2.gz VYKSUYWLIRCWQP-HSZRJFAPSA-N 0 3 481.612 5.408 50 0 JKAAHN CC(C)OC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316161 569762086 /nfs/dbraw/zinc/76/20/86/569762086.db2.gz DXENYHHPZFSESV-QFIPXVFZSA-N 0 3 485.575 5.156 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccc(F)cc1F ZINC000036316169 569762308 /nfs/dbraw/zinc/76/23/08/569762308.db2.gz HOYPGRSHDUXOMQ-QFIPXVFZSA-N 0 3 499.602 5.546 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccc(F)cc1F ZINC000036316168 569762359 /nfs/dbraw/zinc/76/23/59/569762359.db2.gz HOYPGRSHDUXOMQ-JOCHJYFZSA-N 0 3 499.602 5.546 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036316220 569762401 /nfs/dbraw/zinc/76/24/01/569762401.db2.gz IUTHTCQHVWIAND-GGAORHGYSA-N 0 3 465.638 5.656 50 0 JKAAHN CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(CC(C)C)C[C@@H](O)CC ZINC000036316351 569762795 /nfs/dbraw/zinc/76/27/95/569762795.db2.gz CXOJHLALXCQWBD-QFIPXVFZSA-N 0 3 451.611 5.465 50 0 JKAAHN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CC(C)C)C[C@H](O)COC(C)C ZINC000036316452 569763086 /nfs/dbraw/zinc/76/30/86/569763086.db2.gz NMUOLNXRZOQJGZ-QHCPKHFHSA-N 0 3 483.628 5.610 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341943 569764926 /nfs/dbraw/zinc/76/49/26/569764926.db2.gz LSUDYYLXORYLTJ-XMMPIXPASA-N 0 3 470.057 6.636 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341955 569765032 /nfs/dbraw/zinc/76/50/32/569765032.db2.gz XGQXMGZBDANYLB-QHCPKHFHSA-N 0 3 472.029 5.482 50 0 JKAAHN COc1cccc(Oc2c(CN(CC(C)C)C[C@H](O)COC(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341960 569765095 /nfs/dbraw/zinc/76/50/95/569765095.db2.gz LIZDFQPBXAJDLF-DEOSSOPVSA-N 0 3 481.637 5.226 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036341987 569765116 /nfs/dbraw/zinc/76/51/16/569765116.db2.gz BSGUTWPMMGAERR-URXFXBBRSA-N 0 3 495.664 5.758 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)[C@H](C)CC ZINC000036342018 569765119 /nfs/dbraw/zinc/76/51/19/569765119.db2.gz DJXZBNVSSCHMDO-KNQAVFIVSA-N 0 3 455.574 5.110 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341956 569765154 /nfs/dbraw/zinc/76/51/54/569765154.db2.gz QAWZXAPMEZEBPD-DEOSSOPVSA-N 0 3 465.638 5.991 50 0 JKAAHN CCCCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@@H](C)CC ZINC000036342069 569765346 /nfs/dbraw/zinc/76/53/46/569765346.db2.gz QXAQDCYNPIVUGC-OFVILXPXSA-N 0 3 483.628 5.890 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@@H](O)c1ccccc1)CC1CC1 ZINC000036342113 569765525 /nfs/dbraw/zinc/76/55/25/569765525.db2.gz KGASQGAHLSGMTM-MUUNZHRXSA-N 0 3 471.576 6.058 50 0 JKAAHN CCOc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(C)C2CCCCC2)cc1 ZINC000036344051 569766742 /nfs/dbraw/zinc/76/67/42/569766742.db2.gz VTFSQRSVEZOOEW-AREMUKBSSA-N 0 3 479.621 5.045 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036345842 569768461 /nfs/dbraw/zinc/76/84/61/569768461.db2.gz XLEHWMAEYDICLC-RUZDIDTESA-N 0 3 479.665 5.915 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC(C)C ZINC000036345847 569768516 /nfs/dbraw/zinc/76/85/16/569768516.db2.gz DSZMAKIPDMSNOU-XMMPIXPASA-N 0 3 451.611 5.137 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036345972 569768570 /nfs/dbraw/zinc/76/85/70/569768570.db2.gz WFKZUFJFXFWWJQ-HSZRJFAPSA-N 0 3 483.628 5.746 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(CC(C)C)C[C@H](O)COCC(C)C ZINC000036346119 569769039 /nfs/dbraw/zinc/76/90/39/569769039.db2.gz KOEYAMGONCQQQA-SANMLTNESA-N 0 3 479.665 5.773 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(CC(C)C)C[C@@H](O)COCC(C)C ZINC000036346120 569769042 /nfs/dbraw/zinc/76/90/42/569769042.db2.gz KOEYAMGONCQQQA-AREMUKBSSA-N 0 3 479.665 5.773 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036346184 569769198 /nfs/dbraw/zinc/76/91/98/569769198.db2.gz APWGJNYOCUHSHT-DHLKQENFSA-N 0 3 465.638 5.668 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CC(C)C)C[C@H](O)COC(C)C ZINC000036346215 569769234 /nfs/dbraw/zinc/76/92/34/569769234.db2.gz ZULIJGHCWMPUKZ-DEOSSOPVSA-N 0 3 469.601 5.356 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CC(C)C)C[C@@H](O)COC(C)C ZINC000036346216 569769369 /nfs/dbraw/zinc/76/93/69/569769369.db2.gz ZULIJGHCWMPUKZ-XMMPIXPASA-N 0 3 469.601 5.356 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)[C@H](C)CC ZINC000036346325 569769486 /nfs/dbraw/zinc/76/94/86/569769486.db2.gz WHASPQWBTNRBQN-XXBNENTESA-N 0 3 455.574 5.110 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346416 569769620 /nfs/dbraw/zinc/76/96/20/569769620.db2.gz AKBWHOUEHHGDIT-XMMPIXPASA-N 0 3 451.586 5.875 50 0 JKAAHN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036346535 569770071 /nfs/dbraw/zinc/77/00/71/569770071.db2.gz MXRPGYLGWBFGDK-NDEPHWFRSA-N 0 3 495.667 6.351 50 0 JKAAHN Cc1ccc(Oc2c(CN(CC(C)C)C[C@H](O)COC(C)(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346783 569770895 /nfs/dbraw/zinc/77/08/95/569770895.db2.gz DUJGDRFKZCMTCJ-DEOSSOPVSA-N 0 3 479.665 5.822 50 0 JKAAHN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000101037957 569780306 /nfs/dbraw/zinc/78/03/06/569780306.db2.gz XQOMMHZCPXMMNP-ZRBLBEILSA-N 0 3 499.350 5.062 50 0 JKAAHN CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000101041240 569780404 /nfs/dbraw/zinc/78/04/04/569780404.db2.gz VQZSFLRIFPUOGK-XJUOHMSHSA-N 0 3 467.352 5.607 50 0 JKAAHN CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000101130007 569784031 /nfs/dbraw/zinc/78/40/31/569784031.db2.gz HAJUGEUHVOQGPR-VSKRKVRLSA-N 0 3 484.499 5.478 50 0 JKAAHN Cc1ccc([C@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000037380078 569784863 /nfs/dbraw/zinc/78/48/63/569784863.db2.gz DUNFWDRHJKLSAC-NDEPHWFRSA-N 0 3 465.641 5.732 50 0 JKAAHN CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000101155097 569784943 /nfs/dbraw/zinc/78/49/43/569784943.db2.gz KSVSTAIYMSQLPT-VXNXHJTFSA-N 0 3 495.406 6.342 50 0 JKAAHN CCC[C@@H](C(=O)NCCN1CCCC1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000037396712 569786488 /nfs/dbraw/zinc/78/64/88/569786488.db2.gz ZXNWCDBLDZOYKR-QHCPKHFHSA-N 0 3 473.448 5.487 50 0 JKAAHN Cc1cc2nc(Cc3ccc(Cl)cc3Cl)n(CCC(=O)NCCN3CCCC3)c2cc1C ZINC000037398738 569787415 /nfs/dbraw/zinc/78/74/15/569787415.db2.gz IUKIONDLKDNWCJ-UHFFFAOYSA-N 0 3 473.448 5.153 50 0 JKAAHN 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CC(C)CN(C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105019167 569851300 /nfs/dbraw/zinc/85/13/00/569851300.db2.gz FNPXVOPFENBXQK-RDGATRHJSA-N 0 3 478.574 6.201 50 0 JKAAHN COc1cc(CN2C[C@@H](c3ccc(C)cc3)[C@H](CN(C(=O)c3ccccc3)C(C)C)C2)cc(OC)c1 ZINC000105041823 569851571 /nfs/dbraw/zinc/85/15/71/569851571.db2.gz LYESCTJQDROWAM-FIBWVYCGSA-N 0 3 486.656 5.779 50 0 JKAAHN Cn1cccc1CN1C[C@H](CN(C(=O)c2ccccc2)C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000105042252 569851618 /nfs/dbraw/zinc/85/16/18/569851618.db2.gz UURHBBYSXCPWNR-GGXMVOPNSA-N 0 3 455.646 5.716 50 0 JKAAHN COc1ccccc1[C@H]1CN(Cc2ccc(C)o2)C[C@@H]1CN(CC(C)C)C(=O)c1ccc(F)cc1 ZINC000105042126 569851702 /nfs/dbraw/zinc/85/17/02/569851702.db2.gz QIVDMJRNBXCIBP-KCWPFWIISA-N 0 3 478.608 5.750 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccc4ccccc43)=NN12 ZINC000051329956 569851893 /nfs/dbraw/zinc/85/18/93/569851893.db2.gz KLVACEBMLCQWFJ-VWLOTQADSA-N 0 3 490.445 6.348 50 0 JKAAHN 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O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000136639292 569864751 /nfs/dbraw/zinc/86/47/51/569864751.db2.gz XAWGCHOHQDTCLG-QKNQBKEWSA-N 0 3 457.288 5.184 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000136639292 569864752 /nfs/dbraw/zinc/86/47/52/569864752.db2.gz XAWGCHOHQDTCLG-QKNQBKEWSA-N 0 3 457.288 5.184 50 0 JKAAHN CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000137626986 569865081 /nfs/dbraw/zinc/86/50/81/569865081.db2.gz FPAWZWCFCCVLGZ-BHDDXSALSA-N 0 3 450.947 5.113 50 0 JKAAHN O=C1[C@@H]2C(=C([O-])N1c1cccc(F)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000137756618 569865147 /nfs/dbraw/zinc/86/51/47/569865147.db2.gz BTMFSNWJQHGSAJ-PCCBWWKXSA-N 0 3 457.288 5.184 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc(F)c1 ZINC000137756618 569865148 /nfs/dbraw/zinc/86/51/48/569865148.db2.gz BTMFSNWJQHGSAJ-PCCBWWKXSA-N 0 3 457.288 5.184 50 0 JKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000137794846 569865267 /nfs/dbraw/zinc/86/52/67/569865267.db2.gz GZLGLBXVRQSDAT-TUNNFDKTSA-N 0 3 453.325 5.353 50 0 JKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000137840946 569865277 /nfs/dbraw/zinc/86/52/77/569865277.db2.gz PCHRNFDRVIKOHO-BHDDXSALSA-N 0 3 453.325 5.353 50 0 JKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000137793999 569865321 /nfs/dbraw/zinc/86/53/21/569865321.db2.gz QUZFCEYKBMIPLK-FDFHNCONSA-N 0 3 487.770 6.006 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000137792699 569865334 /nfs/dbraw/zinc/86/53/34/569865334.db2.gz ZDJLGAQDLXRNTG-PCCBWWKXSA-N 0 3 483.749 5.154 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCc5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000137877050 569865405 /nfs/dbraw/zinc/86/54/05/569865405.db2.gz PQWOEEQMSCRUAP-YTCPBCGMSA-N 0 3 490.559 5.625 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OCc4ccccc4)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000137855536 569865434 /nfs/dbraw/zinc/86/54/34/569865434.db2.gz KPTSLMXGOYHPKY-HZFUHODCSA-N 0 3 476.532 5.317 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000169678889 569869265 /nfs/dbraw/zinc/86/92/65/569869265.db2.gz STHXDYSJWCCWGU-ZJSXRUAMSA-N 0 3 451.611 5.359 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000169680007 569870052 /nfs/dbraw/zinc/87/00/52/569870052.db2.gz UFVXQFREMLIJOW-PXDATVDWSA-N 0 3 483.628 5.746 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COCC(C)C ZINC000169680017 569870111 /nfs/dbraw/zinc/87/01/11/569870111.db2.gz WTKFVCJZKFJSMO-ILBGXUMGSA-N 0 3 479.665 5.822 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000169680069 569870126 /nfs/dbraw/zinc/87/01/26/569870126.db2.gz BXADOLCVXISLDC-ISKFKSNPSA-N 0 3 495.664 5.522 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000169680340 569870275 /nfs/dbraw/zinc/87/02/75/569870275.db2.gz APWGJNYOCUHSHT-RCZVLFRGSA-N 0 3 465.638 5.668 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000169680284 569870290 /nfs/dbraw/zinc/87/02/90/569870290.db2.gz DOHUMSFYLWEUNS-FYYLOGMGSA-N 0 3 495.664 5.665 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000169680279 569870306 /nfs/dbraw/zinc/87/03/06/569870306.db2.gz GHOZMXCRSLJGNI-FYYLOGMGSA-N 0 3 481.637 5.274 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000169680280 569870342 /nfs/dbraw/zinc/87/03/42/569870342.db2.gz GHOZMXCRSLJGNI-JTHBVZDNSA-N 0 3 481.637 5.274 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)[C@@H](C)CC ZINC000169680294 569870359 /nfs/dbraw/zinc/87/03/59/569870359.db2.gz WHASPQWBTNRBQN-WMZHIEFXSA-N 0 3 455.574 5.110 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000169680611 569870620 /nfs/dbraw/zinc/87/06/20/569870620.db2.gz BSGUTWPMMGAERR-XUZZJYLKSA-N 0 3 495.664 5.758 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000169680603 569870673 /nfs/dbraw/zinc/87/06/73/569870673.db2.gz HAZHDLFDAJMUBC-HYBUGGRVSA-N 0 3 469.601 5.499 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000169680961 569870734 /nfs/dbraw/zinc/87/07/34/569870734.db2.gz TXMMEXQAGLJBND-KCWPFWIISA-N 0 3 499.655 6.186 50 0 JKAAHN Cc1cccc(CN2CCC(NC(=O)COc3ccc(C4SCCCS4)cc3)CC2)c1 ZINC000170623122 569873256 /nfs/dbraw/zinc/87/32/56/569873256.db2.gz FHQVATRJUYHORY-UHFFFAOYSA-N 0 3 456.677 5.023 50 0 JKAAHN CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000226899939 570039246 /nfs/dbraw/zinc/03/92/46/570039246.db2.gz ZQKZWPWZSLAQMV-JIMJEQGWSA-N 0 3 466.562 5.613 50 0 JKAAHN CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000226899939 570039248 /nfs/dbraw/zinc/03/92/48/570039248.db2.gz ZQKZWPWZSLAQMV-JIMJEQGWSA-N 0 3 466.562 5.613 50 0 JKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1=O ZINC000229991443 570043170 /nfs/dbraw/zinc/04/31/70/570043170.db2.gz TUEBVZMUJOZKPU-BHDDXSALSA-N 0 3 453.325 5.353 50 0 JKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@@H]2C1=O ZINC000229997827 570043200 /nfs/dbraw/zinc/04/32/00/570043200.db2.gz DARZNMVGTHKPQI-BHDDXSALSA-N 0 3 453.325 5.353 50 0 JKAAHN O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000230010148 570043367 /nfs/dbraw/zinc/04/33/67/570043367.db2.gz ZDJLGAQDLXRNTG-PWRODBHTSA-N 0 3 483.749 5.154 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000230010148 570043368 /nfs/dbraw/zinc/04/33/68/570043368.db2.gz ZDJLGAQDLXRNTG-PWRODBHTSA-N 0 3 483.749 5.154 50 0 JKAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000230031101 570043742 /nfs/dbraw/zinc/04/37/42/570043742.db2.gz GWYMEFLNMYFRLW-ISJGIBHGSA-N 0 3 456.542 5.044 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(C(F)(F)F)c4)[C@@H]3C2=O)c(C)c1 ZINC000230048632 570044030 /nfs/dbraw/zinc/04/40/30/570044030.db2.gz PZQIEIGSQXECJF-YTFSRNRJSA-N 0 3 466.459 5.373 50 0 JKAAHN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3c4ccc(C)cc4[C@H]4CN(C)CC[C@H]43)cc12 ZINC000239425950 570051927 /nfs/dbraw/zinc/05/19/27/570051927.db2.gz VMZVMGWPJXZHKE-FYYLOGMGSA-N 0 3 477.033 5.805 50 0 JKAAHN Cc1ccc([C@@H]2CN(Cc3ccccc3F)C[C@H]2CN(Cc2cccnc2)C(=O)C(C)C)cc1 ZINC000245280032 570061725 /nfs/dbraw/zinc/06/17/25/570061725.db2.gz MLZUYSPIWJYFLW-SVBPBHIXSA-N 0 3 459.609 5.430 50 0 JKAAHN CCCCOc1ccc([C@](C)(O)[C@H](CN2CCN([C@H]3CCCC[C@@H]3OC)CC2)c2ccccc2)cc1 ZINC000245295435 570062624 /nfs/dbraw/zinc/06/26/24/570062624.db2.gz FDLGLXYCHXTXKQ-BHSUFKTOSA-N 0 3 494.720 5.432 50 0 JKAAHN CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000245309704 570063072 /nfs/dbraw/zinc/06/30/72/570063072.db2.gz FPSDNMWJSNNGOE-XPWALMASSA-N 0 3 483.351 5.443 50 0 JKAAHN CCOc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c1 ZINC000245309704 570063073 /nfs/dbraw/zinc/06/30/73/570063073.db2.gz FPSDNMWJSNNGOE-XPWALMASSA-N 0 3 483.351 5.443 50 0 JKAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000245310403 570063191 /nfs/dbraw/zinc/06/31/91/570063191.db2.gz IXBALEIDQQGARE-BHIFYINESA-N 0 3 469.324 5.053 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000245310784 570063381 /nfs/dbraw/zinc/06/33/81/570063381.db2.gz KPTSLMXGOYHPKY-OZNIXHKMSA-N 0 3 476.532 5.317 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000245310781 570063435 /nfs/dbraw/zinc/06/34/35/570063435.db2.gz KPTSLMXGOYHPKY-JCYYIGJDSA-N 0 3 476.532 5.317 50 0 JKAAHN CC(=O)[C@@H]1C(=C([O-])c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000245312838 570063948 /nfs/dbraw/zinc/06/39/48/570063948.db2.gz XSQCPFOFYOILOK-LCQQBMRFSA-N 0 3 480.539 5.086 50 0 JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000245312838 570063949 /nfs/dbraw/zinc/06/39/49/570063949.db2.gz XSQCPFOFYOILOK-LCQQBMRFSA-N 0 3 480.539 5.086 50 0 JKAAHN COc1cccc([C@@H]2CN(Cc3ccco3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000245339062 570066910 /nfs/dbraw/zinc/06/69/10/570066910.db2.gz QFSXUIVQGITYFC-HOFKKMOUSA-N 0 3 464.581 5.441 50 0 JKAAHN CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000245380992 570067642 /nfs/dbraw/zinc/06/76/42/570067642.db2.gz ZJEZDPAHFJVQDT-WXFUMESZSA-N 0 3 462.571 5.368 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H]([C@@]4(CC)CCC(CC)=CO4)[C@H]3C2=O)cc1 ZINC000245380867 570067701 /nfs/dbraw/zinc/06/77/01/570067701.db2.gz QJZAAVNLNNRBFQ-XWDJFTLGSA-N 0 3 490.600 5.407 50 0 JKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000247721719 570068953 /nfs/dbraw/zinc/06/89/53/570068953.db2.gz BKJKUXDFLNNHRO-SHQCIBLASA-N 0 3 483.015 5.949 50 0 JKAAHN COc1cccc(CN2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@H]2c2ccccc2)c1 ZINC000247901080 570071056 /nfs/dbraw/zinc/07/10/56/570071056.db2.gz QRDBQBIDDYPYCH-BVAGGSTKSA-N 0 3 482.546 5.984 50 0 JKAAHN CC(C)N(C[C@@H]1CN(Cc2ccc[nH]2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000247983572 570072105 /nfs/dbraw/zinc/07/21/05/570072105.db2.gz HZJOIVXYOQBGFO-OFVILXPXSA-N 0 3 487.541 5.939 50 0 JKAAHN Cc1ccc(C(=O)N(C[C@H]2CN(Cc3ccco3)C[C@H]2c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC000248087446 570073714 /nfs/dbraw/zinc/07/37/14/570073714.db2.gz FNFNNGURZGQJNT-BVAGGSTKSA-N 0 3 484.562 6.373 50 0 JKAAHN CCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C ZINC000248113897 570074337 /nfs/dbraw/zinc/07/43/37/570074337.db2.gz UIQNIYLUCHZNAC-RNWIMVQKSA-N 0 3 495.733 5.424 50 0 JKAAHN CC(C)CN(C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248213642 570076217 /nfs/dbraw/zinc/07/62/17/570076217.db2.gz FJAFEBNWSSCYAB-AHWVRZQESA-N 0 3 480.574 6.118 50 0 JKAAHN COc1ccc(C2=C(Oc3ccc(OCCN4CCCC4)cc3)c3ccc(OC)cc3[S@@]2=O)cc1 ZINC000252605311 570085523 /nfs/dbraw/zinc/08/55/23/570085523.db2.gz GHWFWWGMJKMPQB-DHUJRADRSA-N 0 3 491.609 5.204 50 0 JKAAHN C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C=C12 ZINC000253488013 570099975 /nfs/dbraw/zinc/09/99/75/570099975.db2.gz VLZRPLWEPPNQPC-ILXJSQPFSA-N 0 3 462.556 5.142 50 0 JKAAHN C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@@H]3C=C12 ZINC000253488012 570099985 /nfs/dbraw/zinc/09/99/85/570099985.db2.gz VLZRPLWEPPNQPC-CFUVXLCISA-N 0 3 462.556 5.142 50 0 JKAAHN C[C@@H]1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C=C12 ZINC000253488014 570099998 /nfs/dbraw/zinc/09/99/98/570099998.db2.gz VLZRPLWEPPNQPC-VAVAZTCLSA-N 0 3 462.556 5.142 50 0 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Brc1ccc([C@H](c2nnc(-c3ccccc3)o2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000021367061 195300199 /nfs/dbraw/zinc/30/01/99/195300199.db2.gz ZSQOWYUMZIIMRO-HSZRJFAPSA-N 0 3 481.438 5.539 50 0 JKAAHN Cc1ccc(CN2CCC(CNC(=O)c3cc(-c4ccccn4)nc4ccc(C)cc43)CC2)cc1 ZINC000021934422 195335815 /nfs/dbraw/zinc/33/58/15/195335815.db2.gz BAGRHZKFDCUQKB-UHFFFAOYSA-N 0 3 464.613 5.556 50 0 JKAAHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934265 195335990 /nfs/dbraw/zinc/33/59/90/195335990.db2.gz UDLHPQYBUOZSNE-UHFFFAOYSA-N 0 3 454.549 5.078 50 0 JKAAHN CCCCOc1ccc([C@@](C)(O)[C@H](CN2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000058480182 195379996 /nfs/dbraw/zinc/37/99/96/195379996.db2.gz CGRKRCYATSPLET-POURPWNDSA-N 0 3 476.636 5.818 50 0 JKAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C=C12 ZINC000061997592 195418638 /nfs/dbraw/zinc/41/86/38/195418638.db2.gz VLZRPLWEPPNQPC-XFLMGFCPSA-N 0 3 462.556 5.142 50 0 biogenic JKAAHN 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/nfs/dbraw/zinc/88/14/62/519881462.db2.gz FMLPEXYCOQGXQV-JOCHJYFZSA-N 0 3 497.611 5.181 50 0 JKAAHN CCCCCCNC(=O)OCCCCCCNC(=O)OC1CCN(Cc2ccccc2)CC1 ZINC000008647957 520091542 /nfs/dbraw/zinc/09/15/42/520091542.db2.gz DTEJQIMQUJSAFG-UHFFFAOYSA-N 0 3 461.647 5.244 50 0 JKAAHN CCOc1cc(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)ccc1O ZINC000014882594 520695853 /nfs/dbraw/zinc/69/58/53/520695853.db2.gz MGCDMBORCUQHPZ-XMMPIXPASA-N 0 3 478.658 5.448 50 0 JKAAHN CCCCN[C@H](c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccccc1)c1ccccc1 ZINC000012420160 520696314 /nfs/dbraw/zinc/69/63/14/520696314.db2.gz OLDNNODHMCVBGL-DEOSSOPVSA-N 0 3 473.642 6.483 50 0 JKAAHN CCOc1cc(CN2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)ccc1O ZINC000014882595 520697791 /nfs/dbraw/zinc/69/77/91/520697791.db2.gz MGCDMBORCUQHPZ-DEOSSOPVSA-N 0 3 478.658 5.448 50 0 JKAAHN CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC(C)C ZINC000036304302 520798393 /nfs/dbraw/zinc/79/83/93/520798393.db2.gz MNZDNPVWWDDBLM-HSZRJFAPSA-N 0 3 451.611 5.601 50 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Cc1nc(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)cc(NC2CCCCC2)n1 ZINC000033326920 527005258 /nfs/dbraw/zinc/00/52/58/527005258.db2.gz CRVPRNKDYVALAK-UHFFFAOYSA-N 0 3 455.559 5.213 50 0 JKAAHN O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000014897502 527033092 /nfs/dbraw/zinc/03/30/92/527033092.db2.gz VWADOJDPCMAQRB-UHFFFAOYSA-N 0 3 486.563 5.153 50 0 JKAAHN O=C1N(Cc2ccccc2)C(=O)C2(CCN(Cc3cc4ccccc4[nH]3)CC2)N1CCc1ccccc1 ZINC000014742293 527038213 /nfs/dbraw/zinc/03/82/13/527038213.db2.gz VSOXNDZRWSWNQI-UHFFFAOYSA-N 0 3 492.623 5.210 50 0 JKAAHN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](NCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000025393178 527182742 /nfs/dbraw/zinc/18/27/42/527182742.db2.gz URTMAINKZICZPE-IZKRSNETSA-N 0 3 476.970 6.845 50 0 JKAAHN O=C(Nc1ccc(F)c(F)c1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055732 527194301 /nfs/dbraw/zinc/19/43/01/527194301.db2.gz NHOJTYTVEAGSKG-UHFFFAOYSA-N 0 3 493.985 6.472 50 0 JKAAHN O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)NC1CCN(Cc2ccccc2)CC1 ZINC000065114040 527383815 /nfs/dbraw/zinc/38/38/15/527383815.db2.gz SXMKPQHREPQQOH-UHFFFAOYSA-N 0 3 456.615 5.059 50 0 JKAAHN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)cs1)N1CCN(C2CCCCC2)CC1 ZINC000021656849 527383871 /nfs/dbraw/zinc/38/38/71/527383871.db2.gz IDBNGNGVKXPULG-UHFFFAOYSA-N 0 3 469.054 5.409 50 0 JKAAHN O=c1c2c3c(sc2ncn1CCc1c[nH]c2ccccc12)C[C@H](NCc1cccc(F)c1F)CC3 ZINC000020452432 527460105 /nfs/dbraw/zinc/46/01/05/527460105.db2.gz HUWOEWLDNSQYNO-GOSISDBHSA-N 0 3 490.579 5.107 50 0 JKAAHN OC(CN1CCN(c2cccc(Cl)c2)CC1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365371 527503377 /nfs/dbraw/zinc/50/33/77/527503377.db2.gz GXQLQRBIINAQMB-UHFFFAOYSA-N 0 3 461.820 5.705 50 0 JKAAHN O=C(NC1CCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055742 527512301 /nfs/dbraw/zinc/51/23/01/527512301.db2.gz ONRTVRNRDASOEL-UHFFFAOYSA-N 0 3 464.053 6.004 50 0 JKAAHN O=C(NC1CCCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055689 527517476 /nfs/dbraw/zinc/51/74/76/527517476.db2.gz YDQMJMMXECRHFS-UHFFFAOYSA-N 0 3 478.080 6.394 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Oc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033139118 527530849 /nfs/dbraw/zinc/53/08/49/527530849.db2.gz OUNVWJBTVMERDR-UHFFFAOYSA-N 0 3 482.559 5.469 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033261070 527531299 /nfs/dbraw/zinc/53/12/99/527531299.db2.gz SKZVDWMNUKZRSE-UHFFFAOYSA-N 0 3 481.575 5.421 50 0 JKAAHN Cc1nn(-c2cccc(Cl)c2)c2c1C(c1ccccc1)c1c3nc(-c4cccnc4)nn3cnc1O2 ZINC000013813877 527534655 /nfs/dbraw/zinc/53/46/55/527534655.db2.gz XWWYIEWSHSXGIQ-JOCHJYFZSA-N 0 3 491.942 5.620 50 0 JKAAHN Cn1nc(C(=O)NCCCN(Cc2ccco2)C2CCCC2)c2c1-c1cc(Cl)ccc1SC2 ZINC000064959634 527543636 /nfs/dbraw/zinc/54/36/36/527543636.db2.gz ANYPDCJXGNTLBR-UHFFFAOYSA-N 0 3 485.053 5.504 50 0 JKAAHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)NC[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000028804061 527650061 /nfs/dbraw/zinc/65/00/61/527650061.db2.gz KSTAYNRDCSOSJB-HFZDXXHNSA-N 0 3 491.639 5.934 50 0 JKAAHN O[C@@H](CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016477416 527652721 /nfs/dbraw/zinc/65/27/21/527652721.db2.gz GGGWVJVSAHGFPC-NRFANRHFSA-N 0 3 481.217 6.158 50 0 JKAAHN COc1ccccc1CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)CN(Cc2ccccc2Cl)C1 ZINC000096247534 537038256 /nfs/dbraw/zinc/03/82/56/537038256.db2.gz OSKHREIGMMQWBW-JWQCQUIFSA-N 0 3 495.038 5.761 50 0 JKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000001050151 553901340 /nfs/dbraw/zinc/90/13/40/553901340.db2.gz VIXAARUGCWVACW-RCZVLFRGSA-N 0 3 468.626 5.261 50 0 JKAAHN OC1(c2ccc(Br)cc2)CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000001226498 553936004 /nfs/dbraw/zinc/93/60/04/553936004.db2.gz MRHNLXMMSPDOLB-UHFFFAOYSA-N 0 3 452.392 5.512 50 0 JKAAHN Cc1cc(Oc2coc3cc(OC[C@H](O)CN4CCCCCC4)ccc3c2=O)cc(C)c1Cl ZINC000001522258 553977983 /nfs/dbraw/zinc/97/79/83/553977983.db2.gz NRQFJANRLICWQL-LJQANCHMSA-N 0 3 471.981 5.471 50 0 JKAAHN Cc1cccc(Oc2c(=O)c3ccc(OC[C@@H](O)CN4CCC(C)CC4)cc3oc2C(F)(F)F)c1 ZINC000001811015 553992266 /nfs/dbraw/zinc/99/22/66/553992266.db2.gz WJEAZGWAJLCRMJ-SFHVURJKSA-N 0 3 491.506 5.384 50 0 JKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000001825161 553992978 /nfs/dbraw/zinc/99/29/78/553992978.db2.gz OCPXRXSUTGWHTL-MUUNZHRXSA-N 0 3 475.032 7.076 50 0 biogenic JKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1COc1ccc(Br)cc1 ZINC000002087456 554032796 /nfs/dbraw/zinc/03/27/96/554032796.db2.gz ZNCJKDGFKMHECW-DEOSSOPVSA-N 0 3 463.375 5.753 50 0 biogenic JKAAHN CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000002101138 554042706 /nfs/dbraw/zinc/04/27/06/554042706.db2.gz GFSADSWYLWESJW-QZFXGGELSA-N 0 3 453.667 5.862 50 0 biogenic JKAAHN CC(C)Oc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000002107681 554047597 /nfs/dbraw/zinc/04/75/97/554047597.db2.gz FTNVTTJFNTUDLJ-UHFFFAOYSA-N 0 3 479.624 6.083 50 0 JKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000002109394 554049067 /nfs/dbraw/zinc/04/90/67/554049067.db2.gz FAHCSUHPPAUHAJ-QTEAWJPNSA-N 0 3 497.639 5.548 50 0 JKAAHN COc1ccccc1-c1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc2c3ccccc3[nH]c21 ZINC000002113150 554051541 /nfs/dbraw/zinc/05/15/41/554051541.db2.gz XVFRTPPRENJJRV-UHFFFAOYSA-N 0 3 490.607 5.786 50 0 biogenic JKAAHN O=C1c2oc3ccccc3c(=O)c2C(c2cccs2)N1c1nc2ccc(Cl)cc2s1 ZINC000002215225 554097620 /nfs/dbraw/zinc/09/76/20/554097620.db2.gz YYJOPERCHAKULV-GOSISDBHSA-N 0 3 450.928 5.867 50 0 JKAAHN O=C1c2oc3ccccc3c(=O)c2C(c2ccccc2F)N1c1nc2ccc(Cl)cc2s1 ZINC000002221557 554101017 /nfs/dbraw/zinc/10/10/17/554101017.db2.gz LFAPAGMIMMQXFI-FQEVSTJZSA-N 0 3 462.889 5.945 50 0 JKAAHN CC(C)Sc1nc2sc3c(c2c2nnc(SCCN4CCCCC4)n21)CC(C)(C)OC3 ZINC000002224657 554102815 /nfs/dbraw/zinc/10/28/15/554102815.db2.gz JSVARJWNIRUKRW-UHFFFAOYSA-N 0 3 477.725 5.269 50 0 JKAAHN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCC3(N4CCCCC4)CCCCC3)cc12 ZINC000002643632 554261842 /nfs/dbraw/zinc/26/18/42/554261842.db2.gz ZHMTVOMDYURWHA-UHFFFAOYSA-N 0 3 471.070 5.967 50 0 JKAAHN CN(Cc1cc(Br)cc(Br)c1NC(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000002742486 554322457 /nfs/dbraw/zinc/32/24/57/554322457.db2.gz YINHPJDKZGGXLX-UHFFFAOYSA-N 0 3 498.234 6.368 50 0 JKAAHN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2ccc(Br)cc2)cc1 ZINC000002752631 554326955 /nfs/dbraw/zinc/32/69/55/554326955.db2.gz MYWGESDQVUZVSV-UHFFFAOYSA-N 0 3 468.391 5.821 50 0 JKAAHN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N3CCN(C4C5CC6CC(C5)CC4C6)CC3)cc12 ZINC000002767105 554334090 /nfs/dbraw/zinc/33/40/90/554334090.db2.gz SXWPKHOAYVURQS-UHFFFAOYSA-N 0 3 481.684 5.889 50 0 JKAAHN CCOC(=O)c1c(NC(=S)Nc2ccc(CN3CCCCC3)cc2)sc2c1CCCC2 ZINC000002853292 554381221 /nfs/dbraw/zinc/38/12/21/554381221.db2.gz PLAZXBDKTPGRDE-UHFFFAOYSA-N 0 3 457.665 5.598 50 0 JKAAHN O=C(NCCNCc1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc21 ZINC000003216506 554431884 /nfs/dbraw/zinc/43/18/84/554431884.db2.gz CISLKWHYVOPICM-UHFFFAOYSA-N 0 3 484.814 6.382 50 0 JKAAHN COc1cc(CN(C)C[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OC(F)F ZINC000003365975 554459117 /nfs/dbraw/zinc/45/91/17/554459117.db2.gz FHPMXPBEPCULGG-QHCPKHFHSA-N 0 3 485.571 5.494 50 0 JKAAHN COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(OCCN2CCCC2)cc1 ZINC000005104028 554486590 /nfs/dbraw/zinc/48/65/90/554486590.db2.gz XZEUAXYWNKYKPL-URLMMPGGSA-N 0 3 457.614 6.257 50 0 world JKAAHN CCOc1ccc(C(=O)[C@H](CCCC[C@H](CN(C)C)C(=O)c2ccc(OCC)cc2)CN(C)C)cc1 ZINC000006600754 554555485 /nfs/dbraw/zinc/55/54/85/554555485.db2.gz CCXYPPLSKXZJFH-CLJLJLNGSA-N 0 3 496.692 5.466 50 0 JKAAHN Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)CNCc3ccco3)c2c(C)c1 ZINC000008432033 554585029 /nfs/dbraw/zinc/58/50/29/554585029.db2.gz NICAUZDOJWLLJD-VWLOTQADSA-N 0 3 450.582 6.336 50 0 JKAAHN CCOc1ccc(NCc2nnc(SCCN3CCCCC3)n2-c2ccc(C)cc2)cc1 ZINC000008446144 554595402 /nfs/dbraw/zinc/59/54/02/554595402.db2.gz DSPUMESCYDIVSM-UHFFFAOYSA-N 0 3 451.640 5.165 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1CNC1CCC(O)CC1 ZINC000008751234 554653175 /nfs/dbraw/zinc/65/31/75/554653175.db2.gz ZJKJFVGDPNPOON-UHFFFAOYSA-N 0 3 456.384 5.129 50 0 JKAAHN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000008762966 554662791 /nfs/dbraw/zinc/66/27/91/554662791.db2.gz DGGQTYFITYCABS-UXHICEINSA-N 0 3 471.601 5.504 50 0 JKAAHN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000008762962 554662808 /nfs/dbraw/zinc/66/28/08/554662808.db2.gz DGGQTYFITYCABS-PMACEKPBSA-N 0 3 471.601 5.504 50 0 JKAAHN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000008762971 554662841 /nfs/dbraw/zinc/66/28/41/554662841.db2.gz DGGQTYFITYCABS-VQTJNVASSA-N 0 3 471.601 5.504 50 0 JKAAHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(OC(F)F)cc2)N2CCC(C)CC2)c1C ZINC000008763385 554663465 /nfs/dbraw/zinc/66/34/65/554663465.db2.gz YTYUZCPKVOCSHM-QFIPXVFZSA-N 0 3 474.573 6.633 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000008817550 554700376 /nfs/dbraw/zinc/70/03/76/554700376.db2.gz DZZXFSLRKYTBEG-QFIPXVFZSA-N 0 3 470.411 5.203 50 0 JKAAHN O=C(c1ccccc1)[C@@H](CCCC[C@@H](CN1CCCCC1)C(=O)c1ccccc1)CN1CCCCC1 ZINC000008838225 554739847 /nfs/dbraw/zinc/73/98/47/554739847.db2.gz BOKKZTAFOPRWIE-KYJUHHDHSA-N 0 3 488.716 6.517 50 0 JKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000008856548 554752476 /nfs/dbraw/zinc/75/24/76/554752476.db2.gz VIXAARUGCWVACW-RDGATRHJSA-N 0 3 468.626 5.261 50 0 JKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(C)cc2)cc1 ZINC000008911935 554801430 /nfs/dbraw/zinc/80/14/30/554801430.db2.gz NTEKXBYXGLDZIF-RUZDIDTESA-N 0 3 499.684 5.294 50 0 JKAAHN Cc1ccc(CN2CCC(CNC(=O)c3ccc(N4CCOc5ccc(Cl)cc54)s3)CC2)cc1 ZINC000008912123 554801884 /nfs/dbraw/zinc/80/18/84/554801884.db2.gz AGZPCQHRBAFQOO-UHFFFAOYSA-N 0 3 496.076 5.882 50 0 JKAAHN C[C@@H]1CCc2c(sc(NC(=O)CNCCc3ccccc3)c2C(=O)Nc2ccccc2F)C1 ZINC000008919160 554815928 /nfs/dbraw/zinc/81/59/28/554815928.db2.gz WRAFWWVLCNQHCZ-QGZVFWFLSA-N 0 3 465.594 5.035 50 0 JKAAHN O=C(CCN1CCCCC1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000008919205 554816049 /nfs/dbraw/zinc/81/60/49/554816049.db2.gz YPCAQXOUDGNQPD-UHFFFAOYSA-N 0 3 476.440 5.066 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2c3ccccc3[nH]c2c(-c2ccc(F)cc2)n1 ZINC000008952518 554836295 /nfs/dbraw/zinc/83/62/95/554836295.db2.gz WTYXCNCOYGIRPV-UHFFFAOYSA-N 0 3 478.571 5.917 50 0 biogenic JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N21 ZINC000009015891 554866212 /nfs/dbraw/zinc/86/62/12/554866212.db2.gz DXFZWQNVFLFBHW-YIPGRGJBSA-N 0 3 482.967 5.211 50 0 JKAAHN Cc1[nH]nc(-c2ccc(OCC[NH+]3CCCCC3)cc2[O-])c1-c1ccc(Br)cc1 ZINC000009060218 554878529 /nfs/dbraw/zinc/87/85/29/554878529.db2.gz FRHIJUIGGRJRNL-UHFFFAOYSA-N 0 3 456.384 5.385 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3OC(F)F)=NN12 ZINC000009066660 554885750 /nfs/dbraw/zinc/88/57/50/554885750.db2.gz JDWRESMQWLJNBI-GOSISDBHSA-N 0 3 478.337 5.016 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3OC(F)F)=NN12 ZINC000009066655 554885820 /nfs/dbraw/zinc/88/58/20/554885820.db2.gz JDWRESMQWLJNBI-SFHVURJKSA-N 0 3 478.337 5.016 50 0 JKAAHN Cc1ccc(Cn2cc(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c3ccccc32)cc1 ZINC000009116072 554903357 /nfs/dbraw/zinc/90/33/57/554903357.db2.gz TWDXHUMTGXNHCV-UHFFFAOYSA-N 0 3 465.641 5.711 50 0 JKAAHN Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)c5ccccc5Cl)ccc4n3C)CC2)cc1 ZINC000009123975 554914745 /nfs/dbraw/zinc/91/47/45/554914745.db2.gz NZZXMAHUXYGYOS-UHFFFAOYSA-N 0 3 488.035 5.152 50 0 JKAAHN O=C(Nc1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2)CC1 ZINC000009151152 554937349 /nfs/dbraw/zinc/93/73/49/554937349.db2.gz UZQYDWIFAGHAKL-UHFFFAOYSA-N 0 3 461.537 5.253 50 0 JKAAHN CCOc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2)CC1 ZINC000009151149 554937423 /nfs/dbraw/zinc/93/74/23/554937423.db2.gz AONGVBSQEZVHFI-UHFFFAOYSA-N 0 3 487.600 5.513 50 0 JKAAHN CCN1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000009151156 554937448 /nfs/dbraw/zinc/93/74/48/554937448.db2.gz GKMYNUQHWCCUJV-UHFFFAOYSA-N 0 3 450.366 5.241 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccc(N(C)C)cc4)nn3cnc1O2 ZINC000009161276 554950244 /nfs/dbraw/zinc/95/02/44/554950244.db2.gz NBDHQMSMWIEKBK-RUZDIDTESA-N 0 3 499.578 5.637 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000009185053 554957305 /nfs/dbraw/zinc/95/73/05/554957305.db2.gz HKWRSWSGKMZKGC-NJDAHSKKSA-N 0 3 473.743 5.698 50 0 JKAAHN COc1ccc(-c2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2)cc1 ZINC000009210346 554979806 /nfs/dbraw/zinc/97/98/06/554979806.db2.gz VVHBJQUTVPNXLH-XMMPIXPASA-N 0 3 486.535 5.580 50 0 JKAAHN CC[C@H]1CCCCN1Cc1ccc(CNC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)o1 ZINC000009227609 555000482 /nfs/dbraw/zinc/00/04/82/555000482.db2.gz KMIHBWBEFHJCHP-FQEVSTJZSA-N 0 3 464.610 5.337 50 0 JKAAHN CC[C@@H]1CCCCN1Cc1ccc(CNC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)o1 ZINC000009227607 555000552 /nfs/dbraw/zinc/00/05/52/555000552.db2.gz KMIHBWBEFHJCHP-HXUWFJFHSA-N 0 3 464.610 5.337 50 0 JKAAHN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCCN3CCc4ccccc4C3)cc12 ZINC000009229062 555003134 /nfs/dbraw/zinc/00/31/34/555003134.db2.gz MBLSEUZYGBZGJE-UHFFFAOYSA-N 0 3 451.614 5.485 50 0 JKAAHN Cc1nn(-c2cccc(Cl)c2)c2c1C(c1ccccc1)c1c3nc(-c4ccccn4)nn3cnc1O2 ZINC000009237541 555012360 /nfs/dbraw/zinc/01/23/60/555012360.db2.gz GKULQQPOEAQOME-JOCHJYFZSA-N 0 3 491.942 5.620 50 0 JKAAHN Cc1cccc(N2CCN(C(=O)C3CCN(Cc4cccc(OCc5ccccc5)c4)CC3)CC2)c1C ZINC000009246626 555022572 /nfs/dbraw/zinc/02/25/72/555022572.db2.gz PMWOWTQIFUSHID-UHFFFAOYSA-N 0 3 497.683 5.443 50 0 JKAAHN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CN1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000009251644 555026033 /nfs/dbraw/zinc/02/60/33/555026033.db2.gz UNZJSGYSMCJYLB-UHFFFAOYSA-N 0 3 467.617 5.439 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(C)cc1)c1c3nc(-c4ccco4)nn3cnc1O2 ZINC000009266042 555042401 /nfs/dbraw/zinc/04/24/01/555042401.db2.gz ABSFLGCFYNNMLR-JOCHJYFZSA-N 0 3 460.497 5.473 50 0 JKAAHN Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)c5ccc(Cl)cc5)ccc4n3C)CC2)cc1 ZINC000009293058 555068058 /nfs/dbraw/zinc/06/80/58/555068058.db2.gz XXCNFPWITIHCSG-UHFFFAOYSA-N 0 3 488.035 5.152 50 0 JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000009293277 555068476 /nfs/dbraw/zinc/06/84/76/555068476.db2.gz UOCPEYAAYOJILM-KALPRAJFSA-N 0 3 486.930 5.041 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009301986 555075052 /nfs/dbraw/zinc/07/50/52/555075052.db2.gz SDRHFZWQSGSKDH-IBGZPJMESA-N 0 3 478.337 5.016 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Br)s3)=NN12 ZINC000009347651 555113644 /nfs/dbraw/zinc/11/36/44/555113644.db2.gz NAYFVVLWFNGACI-OAHLLOKOSA-N 0 3 497.256 5.239 50 0 JKAAHN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(CCc3ccccc3)CC2)c1-c1ccccc1 ZINC000009347749 555113833 /nfs/dbraw/zinc/11/38/33/555113833.db2.gz OEBJPVPDGFBCMX-UHFFFAOYSA-N 0 3 453.634 5.367 50 0 JKAAHN Cc1oc2cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc2c(=O)c1Oc1ccccc1 ZINC000009420555 555187071 /nfs/dbraw/zinc/18/70/71/555187071.db2.gz ZHUJRWZZWHTCDP-UHFFFAOYSA-N 0 3 498.579 5.053 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000009424276 555188834 /nfs/dbraw/zinc/18/88/34/555188834.db2.gz GSCIUQJEBZPKDM-NJDAHSKKSA-N 0 3 473.743 5.698 50 0 JKAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN(C)Cc2ccccc2)[C@H]1c1cccs1 ZINC000009433047 555202898 /nfs/dbraw/zinc/20/28/98/555202898.db2.gz NKHANABDLBUCCV-RRPNLBNLSA-N 0 3 489.685 5.323 50 0 JKAAHN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(-c4ccccc4)nc3c21 ZINC000009447515 555220271 /nfs/dbraw/zinc/22/02/71/555220271.db2.gz SYYOFJSMBCCSFG-DEOSSOPVSA-N 0 3 486.535 5.580 50 0 JKAAHN Cc1ccc2nc(N3C(=O)c4oc5ccc(F)cc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000009449988 555222743 /nfs/dbraw/zinc/22/27/43/555222743.db2.gz QOFDWXMUMGYTDU-OAQYLSRUSA-N 0 3 460.461 5.739 50 0 JKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3F)=NN12 ZINC000009462127 555230885 /nfs/dbraw/zinc/23/08/85/555230885.db2.gz ZGEZDAASSYUPML-OAQYLSRUSA-N 0 3 458.375 5.332 50 0 JKAAHN CCOC(=O)[C@H]1CCCN([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2ccccc2)C1 ZINC000009494719 555279115 /nfs/dbraw/zinc/27/91/15/555279115.db2.gz JMJTUDCRHYLANB-ZCYQVOJMSA-N 0 3 476.642 5.982 50 0 JKAAHN COc1ccc(-c2csc3ncnc(NCC4CCN(Cc5ccc(Cl)cc5)CC4)c23)cc1 ZINC000009527757 555320774 /nfs/dbraw/zinc/32/07/74/555320774.db2.gz XRIQPGAWCOHTHI-UHFFFAOYSA-N 0 3 479.049 6.344 50 0 JKAAHN COc1ccc(-c2nc3ccccc3c(NCC3CCN(Cc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000009527076 555320790 /nfs/dbraw/zinc/32/07/90/555320790.db2.gz PDOPNXBQGJJDAU-UHFFFAOYSA-N 0 3 473.020 6.283 50 0 JKAAHN CCCOc1ccc([C@@H]2NC[C@@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000013145650 555343213 /nfs/dbraw/zinc/34/32/13/555343213.db2.gz QVDFNNCSZWTCHY-IDISGSTGSA-N 0 3 472.585 5.807 50 0 JKAAHN CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1Br)C(C)(C)NC(C)(C)C2 ZINC000009639800 555349055 /nfs/dbraw/zinc/34/90/55/555349055.db2.gz JEFHDRLDNQFYSZ-UHFFFAOYSA-N 0 3 465.413 5.099 50 0 JKAAHN COc1ccc2nc(C)cc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2c1 ZINC000013165319 555368518 /nfs/dbraw/zinc/36/85/18/555368518.db2.gz FLOZBJXTOWAAEC-UHFFFAOYSA-N 0 3 459.540 5.742 50 0 JKAAHN O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc21)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013321655 555376059 /nfs/dbraw/zinc/37/60/59/555376059.db2.gz GQLYHYAUOYNZPN-UHFFFAOYSA-N 0 3 487.047 5.677 50 0 JKAAHN Cc1ccc(-c2onc3ccc(C(=O)NCC4CCN(Cc5ccccc5F)CC4)cc32)cc1 ZINC000009581543 555388165 /nfs/dbraw/zinc/38/81/65/555388165.db2.gz AJAUZEGTCKBITO-UHFFFAOYSA-N 0 3 457.549 5.584 50 0 JKAAHN C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369215 555390857 /nfs/dbraw/zinc/39/08/57/555390857.db2.gz ZLHRUKLIPGOTRB-FQEVSTJZSA-N 0 3 473.020 5.699 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccc(F)cc4)nn3cnc1O2 ZINC000009583772 555391625 /nfs/dbraw/zinc/39/16/25/555391625.db2.gz CQDOKOCXKGTEKD-HSZRJFAPSA-N 0 3 474.499 5.710 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccc(Cl)cc4)nn3cnc1O2 ZINC000009583778 555392026 /nfs/dbraw/zinc/39/20/26/555392026.db2.gz YABUFOGCDFTQLE-HSZRJFAPSA-N 0 3 490.954 6.225 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccccc4Cl)nn3cnc1O2 ZINC000009583800 555392050 /nfs/dbraw/zinc/39/20/50/555392050.db2.gz WELQGSPPHCAQPP-HSZRJFAPSA-N 0 3 490.954 6.225 50 0 JKAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccs5)nc4c32)cc1 ZINC000009583959 555392315 /nfs/dbraw/zinc/39/23/15/555392315.db2.gz CUBVUVFUJOZTTR-JOCHJYFZSA-N 0 3 492.564 5.641 50 0 JKAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5)nc4c32)cc1 ZINC000009583967 555392328 /nfs/dbraw/zinc/39/23/28/555392328.db2.gz PUTJGKHWPCCAQJ-DEOSSOPVSA-N 0 3 486.535 5.580 50 0 JKAAHN CCCCN(CC)Cc1ccc(CNS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)o1 ZINC000009685621 555414268 /nfs/dbraw/zinc/41/42/68/555414268.db2.gz SLWJBJKHQHRDBT-UHFFFAOYSA-N 0 3 499.677 5.325 50 0 JKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)cc1 ZINC000009693097 555422529 /nfs/dbraw/zinc/42/25/29/555422529.db2.gz YJQGAXPXZHAUSY-UHFFFAOYSA-N 0 3 494.592 5.192 50 0 JKAAHN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(C)c12 ZINC000009610208 555439993 /nfs/dbraw/zinc/43/99/93/555439993.db2.gz PPZCTQVRVPVLOJ-UHFFFAOYSA-N 0 3 481.644 5.059 50 0 JKAAHN COc1ccc(Nc2c3cc(NC(=O)c4ccncc4)ccc3nc3c2CCCC3)cc1OC ZINC000009612245 555444723 /nfs/dbraw/zinc/44/47/23/555444723.db2.gz UDGJXXAZXOYDMA-UHFFFAOYSA-N 0 3 454.530 5.522 50 0 JKAAHN COc1ccc(Nc2c3cc(NC(=O)C4CCCCC4)ccc3nc3c2CCCC3)cc1OC ZINC000009612255 555444882 /nfs/dbraw/zinc/44/48/82/555444882.db2.gz OLXOMNJHGUBKNZ-UHFFFAOYSA-N 0 3 459.590 6.393 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(C)cc1)c1c3nc(-c4ccccc4O)nn3cnc1O2 ZINC000013540168 555488984 /nfs/dbraw/zinc/48/89/84/555488984.db2.gz WXRGLIIZMDMECL-DEOSSOPVSA-N 0 3 486.535 5.585 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(COc4ccccc4)nn3cnc1O2 ZINC000013540971 555489232 /nfs/dbraw/zinc/48/92/32/555489232.db2.gz HUDSHYKZXPJRDT-HSZRJFAPSA-N 0 3 476.496 5.076 50 0 JKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000013553115 555493243 /nfs/dbraw/zinc/49/32/43/555493243.db2.gz LPSXHJJKFPWBMV-MHZLTWQESA-N 0 3 469.654 6.582 50 0 JKAAHN Cc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccccc1)c1c3nc(-c4cccnc4)nn3cnc1O2 ZINC000013556006 555493721 /nfs/dbraw/zinc/49/37/21/555493721.db2.gz OJZLLAMQPJDCEV-JOCHJYFZSA-N 0 3 491.942 5.620 50 0 JKAAHN COc1ccc(Nc2c3cc(NC(=O)c4ccccn4)ccc3nc3c2CCCC3)cc1OC ZINC000009777111 555495642 /nfs/dbraw/zinc/49/56/42/555495642.db2.gz YYIUVSASEPHNIP-UHFFFAOYSA-N 0 3 454.530 5.522 50 0 JKAAHN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019831914 555505762 /nfs/dbraw/zinc/50/57/62/555505762.db2.gz HHBYRLADBCSSKM-UHFFFAOYSA-N 0 3 468.984 6.943 50 0 JKAAHN Cc1[nH]c2c(ccc(Cl)c2Cl)c1CCNC1(c2nnnn2-c2c(C)cccc2C)CCCCC1 ZINC000019848431 555509805 /nfs/dbraw/zinc/50/98/05/555509805.db2.gz ALJOEICLPACAFG-UHFFFAOYSA-N 0 3 497.474 6.367 50 0 JKAAHN O=C(C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000009805406 555517292 /nfs/dbraw/zinc/51/72/92/555517292.db2.gz SEMQSERPORJQTL-UHFFFAOYSA-N 0 3 473.592 5.179 50 0 JKAAHN CSc1ccccc1N1CCN(CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000013586566 555524420 /nfs/dbraw/zinc/52/44/20/555524420.db2.gz JNBBJUHCODFLEG-DEOSSOPVSA-N 0 3 451.680 5.285 50 0 in-vitro JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013596732 555529065 /nfs/dbraw/zinc/52/90/65/555529065.db2.gz DFOOCTZQRWWJOD-DSNGMDLFSA-N 0 3 454.913 5.544 50 0 JKAAHN Cc1cc(Oc2coc3cc(OC[C@H](O)CN4CCCCC4)ccc3c2=O)cc(C)c1Cl ZINC000009833277 555535578 /nfs/dbraw/zinc/53/55/78/555535578.db2.gz GCHXUELHYMUYPT-GOSISDBHSA-N 0 3 457.954 5.081 50 0 JKAAHN CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000009849408 555551470 /nfs/dbraw/zinc/55/14/70/555551470.db2.gz MIQGIJHHIYGFKT-UHFFFAOYSA-N 0 3 470.657 6.307 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000013647943 555552416 /nfs/dbraw/zinc/55/24/16/555552416.db2.gz IWVMXDZNASXNLL-DSNGMDLFSA-N 0 3 489.358 6.198 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000013658910 555555598 /nfs/dbraw/zinc/55/55/98/555555598.db2.gz MHLNKFGUIRISRN-DSNGMDLFSA-N 0 3 472.903 5.683 50 0 JKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc2c(c3Cl)CCC2)cc1 ZINC000009858154 555559702 /nfs/dbraw/zinc/55/97/02/555559702.db2.gz FMYDNQQLSPBXHH-UHFFFAOYSA-N 0 3 465.981 5.128 50 0 JKAAHN c1ccc(C(c2ccccc2)N2CCN(CCCCOc3cccc4ccccc43)CC2)cc1 ZINC000019947649 555563791 /nfs/dbraw/zinc/56/37/91/555563791.db2.gz ONIVDAXMTPEOHK-UHFFFAOYSA-N 0 3 450.626 6.406 50 0 JKAAHN c1ccc(C(c2ccccc2)N2CCN(c3nc(-c4ccncc4)nc4ccccc43)CC2)cc1 ZINC000019996384 555576973 /nfs/dbraw/zinc/57/69/73/555576973.db2.gz XUBPVHHWYFSOLP-UHFFFAOYSA-N 0 3 457.581 5.603 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000013749128 555608160 /nfs/dbraw/zinc/60/81/60/555608160.db2.gz VFFXYHZJXFSTJB-SFHLNBCPSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000013751383 555609525 /nfs/dbraw/zinc/60/95/25/555609525.db2.gz CYFFLCICLQOQOT-DSNGMDLFSA-N 0 3 454.913 5.544 50 0 JKAAHN Clc1ccccc1-c1nc2ccccc2c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000013756755 555610788 /nfs/dbraw/zinc/61/07/88/555610788.db2.gz LEYRTDSNWPNSNC-UHFFFAOYSA-N 0 3 491.038 6.862 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013757387 555611269 /nfs/dbraw/zinc/61/12/69/555611269.db2.gz ALJAPPMJNKOOQK-DSNGMDLFSA-N 0 3 454.913 5.544 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013758128 555611577 /nfs/dbraw/zinc/61/15/77/555611577.db2.gz XIFURGHXVMAHFD-QHAWAJNXSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc(Br)c1 ZINC000013759576 555612567 /nfs/dbraw/zinc/61/25/67/555612567.db2.gz VPUQDMIIANHJIA-QHAWAJNXSA-N 0 3 483.749 5.154 50 0 JKAAHN CCN(CC)CCN(C(=O)/C=C/c1cccs1)c1nc2ccc(Br)cc2s1 ZINC000010066591 555614051 /nfs/dbraw/zinc/61/40/51/555614051.db2.gz HBUXDBZMRRQNSI-CSKARUKUSA-N 0 3 464.454 5.509 50 0 JKAAHN CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2cc(OC)c(OC)cc2s1 ZINC000010067006 555614302 /nfs/dbraw/zinc/61/43/02/555614302.db2.gz ROPANXLLIIQKHB-UHFFFAOYSA-N 0 3 467.635 5.181 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013786705 555619479 /nfs/dbraw/zinc/61/94/79/555619479.db2.gz LQZRBGXDTNKSHL-XPWALMASSA-N 0 3 490.346 5.593 50 0 JKAAHN O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(F)c(F)c1 ZINC000013811165 555627161 /nfs/dbraw/zinc/62/71/61/555627161.db2.gz XFWGDLZHPZWKHE-UBFVSLLYSA-N 0 3 456.448 5.169 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(F)c3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013811165 555627163 /nfs/dbraw/zinc/62/71/63/555627163.db2.gz XFWGDLZHPZWKHE-UBFVSLLYSA-N 0 3 456.448 5.169 50 0 JKAAHN S=C(Nc1ccc(Oc2ccccc2)cc1)N(CCCN1CCCCC1)Cc1cccs1 ZINC000020107681 555641842 /nfs/dbraw/zinc/64/18/42/555641842.db2.gz RTXCYRVAGYRSFW-UHFFFAOYSA-N 0 3 465.688 6.615 50 0 JKAAHN CCN1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000020107711 555641948 /nfs/dbraw/zinc/64/19/48/555641948.db2.gz HRRDWSIFXZZNLX-UHFFFAOYSA-N 0 3 478.662 5.299 50 0 JKAAHN C[C@H](CCc1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1OC1CCN(Cc2ccccc2)CC1 ZINC000013896774 555644208 /nfs/dbraw/zinc/64/42/08/555644208.db2.gz AXGWTWRIKVAAQZ-DJUQAAIZSA-N 0 3 458.646 5.728 50 0 JKAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3C=C12 ZINC000020112186 555649326 /nfs/dbraw/zinc/64/93/26/555649326.db2.gz NBJASNUKULGOJS-YETYPGTRSA-N 0 3 484.684 5.708 50 0 biogenic JKAAHN CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3C=C12 ZINC000020112197 555649351 /nfs/dbraw/zinc/64/93/51/555649351.db2.gz MFRKKZWZFLPJOP-UUEOAETPSA-N 0 3 482.668 5.628 50 0 biogenic JKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2ccc(Br)cc2)c1 ZINC000020112899 555650625 /nfs/dbraw/zinc/65/06/25/555650625.db2.gz XWXIBZTZTSLCSL-RUZDIDTESA-N 0 3 493.401 5.762 50 0 biogenic JKAAHN O=C(COc1ccc(C2SCCCS2)cc1)NCc1ccccc1CN1CCCCC1 ZINC000010282244 555672878 /nfs/dbraw/zinc/67/28/78/555672878.db2.gz DAOBMSHMRKUVNC-UHFFFAOYSA-N 0 3 456.677 5.236 50 0 JKAAHN Cc1cc(N2CCCC2)nc2ccc(NC(=S)NC3CCN(Cc4ccccc4)CC3)cc12 ZINC000020183143 555689930 /nfs/dbraw/zinc/68/99/30/555689930.db2.gz WVJLUNFRHDLNOO-UHFFFAOYSA-N 0 3 459.663 5.094 50 0 JKAAHN CCc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3cc(C)ccc3n2)cc1 ZINC000020212656 555705934 /nfs/dbraw/zinc/70/59/34/555705934.db2.gz IEIHOPVZAAIUQU-UHFFFAOYSA-N 0 3 463.625 6.167 50 0 JKAAHN CCc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccc(Cl)c(C)c3n2)cc1 ZINC000020212710 555706229 /nfs/dbraw/zinc/70/62/29/555706229.db2.gz CTMLPBXVIPLDRA-UHFFFAOYSA-N 0 3 498.070 6.820 50 0 JKAAHN CCc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3cccc(Cl)c3n2)cc1 ZINC000020212803 555706243 /nfs/dbraw/zinc/70/62/43/555706243.db2.gz GCLDBJLZRIQJJM-UHFFFAOYSA-N 0 3 484.043 6.512 50 0 JKAAHN COc1ccc(NC(C)=O)cc1NC(=O)CN[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C ZINC000014141524 555706793 /nfs/dbraw/zinc/70/67/93/555706793.db2.gz OCSQXCXIMWQNIZ-HHHXNRCGSA-N 0 3 451.611 5.627 50 0 JKAAHN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)N3CCN(C4CCCCC4)CC3)c(C)c12 ZINC000020282941 555752864 /nfs/dbraw/zinc/75/28/64/555752864.db2.gz AWFKXMVAARRGFN-UHFFFAOYSA-N 0 3 487.692 5.372 50 0 JKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355190 555782704 /nfs/dbraw/zinc/78/27/04/555782704.db2.gz KXTHRFIBIWNSHG-QICHVEDASA-N 0 3 495.623 5.176 50 0 JKAAHN CCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000011614713 555791341 /nfs/dbraw/zinc/79/13/41/555791341.db2.gz JGVSAASEEBLNCC-DEOSSOPVSA-N 0 3 499.007 5.131 50 0 JKAAHN CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000011666686 555797308 /nfs/dbraw/zinc/79/73/08/555797308.db2.gz HAJUGEUHVOQGPR-BDTNDASRSA-N 0 3 484.499 5.478 50 0 JKAAHN N=C1SC(Cc2ccccc2Cl)C(=O)N1c1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000011690433 555799911 /nfs/dbraw/zinc/79/99/11/555799911.db2.gz JSOJVORUTXOOPJ-INIZCTEOSA-N 0 3 482.845 6.320 50 0 JKAAHN N=C1SC(Cc2ccccc2Cl)C(=O)N1c1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000011690434 555799979 /nfs/dbraw/zinc/79/99/79/555799979.db2.gz JSOJVORUTXOOPJ-MRXNPFEDSA-N 0 3 482.845 6.320 50 0 JKAAHN CC(C)CC[C@@H](NC(=O)NCc1ccccc1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020532181 555800824 /nfs/dbraw/zinc/80/08/24/555800824.db2.gz JABICFYXMPDGGP-JOCHJYFZSA-N 0 3 450.652 5.503 50 0 JKAAHN CCc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(CC)CC3)cc1 ZINC000020532188 555800843 /nfs/dbraw/zinc/80/08/43/555800843.db2.gz MOQBHJKTACHMBQ-DEOSSOPVSA-N 0 3 478.706 6.778 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000020532190 555800892 /nfs/dbraw/zinc/80/08/92/555800892.db2.gz UYFOAHUHBORALD-QHCPKHFHSA-N 0 3 499.124 7.178 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000020532199 555800975 /nfs/dbraw/zinc/80/09/75/555800975.db2.gz JUMQZWKSRUPXDG-XMMPIXPASA-N 0 3 478.706 6.833 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccccc2Br)C1 ZINC000020532236 555801148 /nfs/dbraw/zinc/80/11/48/555801148.db2.gz YMGCQDIFFZUTCU-HNNXBMFYSA-N 0 3 473.440 5.562 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000020532248 555801181 /nfs/dbraw/zinc/80/11/81/555801181.db2.gz ATGBNPYKOIJJLY-INIZCTEOSA-N 0 3 487.467 5.870 50 0 JKAAHN CCOCCCNC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532208 555801194 /nfs/dbraw/zinc/80/11/94/555801194.db2.gz BWYZFVSZPXLGIR-OAQYLSRUSA-N 0 3 460.688 5.120 50 0 JKAAHN CC[C@H](NC(=O)Nc1cc(C)ccc1OC)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532224 555801281 /nfs/dbraw/zinc/80/12/81/555801281.db2.gz SERZXRBTGGVFSU-IBGZPJMESA-N 0 3 452.624 5.507 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)NCc2ccc(C)cc2)C1 ZINC000020532210 555801383 /nfs/dbraw/zinc/80/13/83/555801383.db2.gz DHKOSQDIEVGQFP-DEOSSOPVSA-N 0 3 478.706 6.202 50 0 JKAAHN Cc1ccc(CN(C(=O)Nc2ccccc2C(F)(F)F)C2CCN(Cc3ccccc3)CC2)o1 ZINC000020532297 555801663 /nfs/dbraw/zinc/80/16/63/555801663.db2.gz YGXHSWABMYWPDI-UHFFFAOYSA-N 0 3 471.523 6.306 50 0 JKAAHN Cc1ccc2ccccc2c1CN1CCN(c2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn32)CC1 ZINC000020533375 555804858 /nfs/dbraw/zinc/80/48/58/555804858.db2.gz XKJKDBQUAVXPRA-UHFFFAOYSA-N 0 3 489.667 6.478 50 0 JKAAHN COc1ccc2cc(CN(CCN(C)C)C(=O)c3ccc(C)cc3)c(-c3cccs3)nc2c1 ZINC000011786161 555819075 /nfs/dbraw/zinc/81/90/75/555819075.db2.gz JTRFEWAAMXNAHM-UHFFFAOYSA-N 0 3 459.615 5.484 50 0 JKAAHN CSc1ccc(CN2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3CCC(C)C)cc1 ZINC000014539338 555828954 /nfs/dbraw/zinc/82/89/54/555828954.db2.gz AEMMXBKFCBWALU-UHFFFAOYSA-N 0 3 494.705 5.081 50 0 JKAAHN C/C(=C\c1ccccc1)CN1CCC2(C[C@@H]2C(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000011840526 555833179 /nfs/dbraw/zinc/83/31/79/555833179.db2.gz NNACXUMGQZGTBL-JJYYUJSISA-N 0 3 458.646 5.057 50 0 JKAAHN CN(Cc1ccoc1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1cccc2ccccc21 ZINC000011840524 555833213 /nfs/dbraw/zinc/83/32/13/555833213.db2.gz RDBPQDKUDBVAEE-KCWPFWIISA-N 0 3 496.636 5.703 50 0 JKAAHN C/C(=C\c1ccco1)CN1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCc1ccccc1 ZINC000014543025 555834046 /nfs/dbraw/zinc/83/40/46/555834046.db2.gz JSZINKQFAJYZDH-DARPEHSRSA-N 0 3 483.612 5.225 50 0 JKAAHN O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CC12CCN(Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000011841862 555834505 /nfs/dbraw/zinc/83/45/05/555834505.db2.gz NMLKHYRATKCYRU-QFIPXVFZSA-N 0 3 486.513 5.153 50 0 JKAAHN COc1cc(CN2CCC3(C[C@@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)ccc1O ZINC000014987876 555841913 /nfs/dbraw/zinc/84/19/13/555841913.db2.gz WCIVSGWAFQIESG-HHHXNRCGSA-N 0 3 484.640 5.341 50 0 JKAAHN CCOc1cc(CN2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)ccc1O ZINC000014992607 555842334 /nfs/dbraw/zinc/84/23/34/555842334.db2.gz SEPYOIWPMBDRDR-RUZDIDTESA-N 0 3 496.648 5.587 50 0 JKAAHN COc1ccc(NC(=O)c2cc3cc(C4(O)CCN(Cc5cccc(C)c5)CC4)ccc3o2)cc1 ZINC000014999640 555843938 /nfs/dbraw/zinc/84/39/38/555843938.db2.gz PBLCETIEDZJIAG-UHFFFAOYSA-N 0 3 470.569 5.486 50 0 JKAAHN CN(Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCCN2C(=O)C2CCCCC2)cc1 ZINC000011868206 555845171 /nfs/dbraw/zinc/84/51/71/555845171.db2.gz NHFIKGJTKVFBJF-DEOSSOPVSA-N 0 3 454.680 6.110 50 0 JKAAHN O=C(Cc1cccc(F)c1)Nc1ccc(N2CCC(NCc3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000011911413 555859335 /nfs/dbraw/zinc/85/93/35/555859335.db2.gz JQGGVRRNTWXDIN-UHFFFAOYSA-N 0 3 497.618 5.010 50 0 JKAAHN Cc1cccc(CN2CCC3(C[C@@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000011913588 555863389 /nfs/dbraw/zinc/86/33/89/555863389.db2.gz AJSLKWCFUGWOGB-MUUNZHRXSA-N 0 3 453.630 5.331 50 0 JKAAHN CC(C)=CCN1CCC(O)(c2ccc3oc(C(=O)N(C)Cc4ccc5ncccc5c4)cc3c2)CC1 ZINC000015067756 555867951 /nfs/dbraw/zinc/86/79/51/555867951.db2.gz SSLJYMMOBPXIJU-UHFFFAOYSA-N 0 3 483.612 5.503 50 0 JKAAHN COc1ccc(NC(=O)c2cc3cc(C4(O)CCN(Cc5cccc(OC)c5)CC4)ccc3o2)cc1 ZINC000015068273 555868399 /nfs/dbraw/zinc/86/83/99/555868399.db2.gz JKZYPVXEWGPYBF-UHFFFAOYSA-N 0 3 486.568 5.186 50 0 JKAAHN CCN(CC)[C@H]1CCN(C(=O)c2c(=O)cc(C)n3c2C[C@H](c2ccsc2)Sc2ccccc2-3)C1 ZINC000015071611 555870854 /nfs/dbraw/zinc/87/08/54/555870854.db2.gz NIHSEULIUQLAAT-NBGIEHNGSA-N 0 3 493.698 5.153 50 0 JKAAHN CCN(CC)[C@@H]1CCN(C(=O)c2c(=O)cc(C)n3c2C[C@@H](c2ccsc2)Sc2ccccc2-3)C1 ZINC000015071605 555871084 /nfs/dbraw/zinc/87/10/84/555871084.db2.gz NIHSEULIUQLAAT-NLFFAJNJSA-N 0 3 493.698 5.153 50 0 JKAAHN CCOc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000022076708 555871529 /nfs/dbraw/zinc/87/15/29/555871529.db2.gz PNFMOLQBIVDYHS-UHFFFAOYSA-N 0 3 474.826 6.678 50 0 JKAAHN CCC(CC)C(=O)N1CCC[C@@H](COc2ccc(CN3CCC(c4ccccc4)CC3)cc2)C1 ZINC000011980972 555876474 /nfs/dbraw/zinc/87/64/74/555876474.db2.gz DEZIEPRVZGHWBE-RUZDIDTESA-N 0 3 462.678 6.120 50 0 JKAAHN COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cccc(-c4ccc(F)cc4)c2)CCO3)C1 ZINC000011982612 555877166 /nfs/dbraw/zinc/87/71/66/555877166.db2.gz AZZUPCMMKFANAH-QHCPKHFHSA-N 0 3 488.603 5.386 50 0 JKAAHN COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cccc(-c4ccc(F)cc4)c2)CCO3)C1 ZINC000011982608 555877239 /nfs/dbraw/zinc/87/72/39/555877239.db2.gz AZZUPCMMKFANAH-HSZRJFAPSA-N 0 3 488.603 5.386 50 0 JKAAHN CCOc1cc(CN2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)ccc1OC ZINC000012000157 555882185 /nfs/dbraw/zinc/88/21/85/555882185.db2.gz WSHKZSBKWXEJDE-VWLOTQADSA-N 0 3 476.661 5.324 50 0 JKAAHN COc1ccc(/C=C/CN2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)cc1 ZINC000012002446 555882788 /nfs/dbraw/zinc/88/27/88/555882788.db2.gz AKGBEISSEZILHR-NEBYQIEGSA-N 0 3 494.582 5.675 50 0 JKAAHN COc1cccc(CN2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)c1 ZINC000012037989 555891014 /nfs/dbraw/zinc/89/10/14/555891014.db2.gz DSCHPUFRHORVHI-RUZDIDTESA-N 0 3 467.009 5.537 50 0 JKAAHN O=C([C@H]1CC12CCN(Cc1cccc(Oc3ccccc3)c1)CC2)N1CCc2ccccc2C1 ZINC000012051550 555896376 /nfs/dbraw/zinc/89/63/76/555896376.db2.gz QGOPICOYXGDVHU-MUUNZHRXSA-N 0 3 452.598 5.666 50 0 JKAAHN CCN(CC)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)NCc1cnc2ccccc2c1 ZINC000012053874 555897264 /nfs/dbraw/zinc/89/72/64/555897264.db2.gz HQMPFFWSZAEZOX-UHFFFAOYSA-N 0 3 497.595 5.168 50 0 JKAAHN CO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(Cc1c[nH]nc1-c1cc(C)ccc1C)CC2 ZINC000012098316 555904997 /nfs/dbraw/zinc/90/49/97/555904997.db2.gz OAGICZUEKUDQCQ-IZLXSDGUSA-N 0 3 486.660 5.069 50 0 JKAAHN CCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccccc3Oc3ccccc3)sc2c1 ZINC000012140852 555919837 /nfs/dbraw/zinc/91/98/37/555919837.db2.gz AZYCQVNTMLXJSM-UHFFFAOYSA-N 0 3 473.642 6.640 50 0 JKAAHN CCN(CC)CCN(C(=O)c1cc(-c2ccccc2)nc2ccccc21)c1nc2c(cccc2C)s1 ZINC000012140854 555919887 /nfs/dbraw/zinc/91/98/87/555919887.db2.gz KUQZPRXBSTUHOG-UHFFFAOYSA-N 0 3 494.664 6.809 50 0 JKAAHN COc1ccc(CN2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccccn3)C3CC3)CC2)cc1C ZINC000012149208 555921078 /nfs/dbraw/zinc/92/10/78/555921078.db2.gz JSHAWIFTLLBPKB-GDLZYMKVSA-N 0 3 483.656 5.527 50 0 JKAAHN CN1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccccn2)C3)C1 ZINC000012150139 555922281 /nfs/dbraw/zinc/92/22/81/555922281.db2.gz ZNTOCGWHQGSSLO-FQEVSTJZSA-N 0 3 492.019 5.157 50 0 JKAAHN Clc1ccccc1Cn1ncc2c1ncnc2N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022356702 555924186 /nfs/dbraw/zinc/92/41/86/555924186.db2.gz LVNCQHFVKPKZEY-UHFFFAOYSA-N 0 3 495.030 5.440 50 0 JKAAHN COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2CN[C@@H]2CCCc3ccccc32)c1 ZINC000012152725 555927003 /nfs/dbraw/zinc/92/70/03/555927003.db2.gz WVTFKKQBLDGXHL-RUZDIDTESA-N 0 3 454.570 6.095 50 0 JKAAHN CCc1ccc(CN2CCC(c3nnc(SC[C@H]4CCCO4)n3-c3cccc(OC)c3)CC2)cc1 ZINC000012154529 555927536 /nfs/dbraw/zinc/92/75/36/555927536.db2.gz MHOTZQGHXNRDNG-AREMUKBSSA-N 0 3 492.689 5.489 50 0 JKAAHN Cc1cc(C(=O)N2CCC[C@H](COc3ccc(CN4CCC(c5ccccc5)CC4)cc3)C2)n(C)n1 ZINC000012164424 555932310 /nfs/dbraw/zinc/93/23/10/555932310.db2.gz BFYOXINQNCLZGJ-VWLOTQADSA-N 0 3 486.660 5.039 50 0 JKAAHN CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCC(C)CC2)N(CCN2CCCCCC2)C3=O)s1 ZINC000015673341 555932667 /nfs/dbraw/zinc/93/26/67/555932667.db2.gz CVNWGLHDJRCCFJ-JQPIXXOSSA-N 0 3 498.737 5.051 50 0 JKAAHN Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCCN(C[C@H](C)Cc2ccc3c(c2)OCO3)C1 ZINC000012211384 555943053 /nfs/dbraw/zinc/94/30/53/555943053.db2.gz JZLXKIVUIFRQGM-DENIHFKCSA-N 0 3 476.646 5.259 50 0 JKAAHN CCc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000015679710 555946535 /nfs/dbraw/zinc/94/65/35/555946535.db2.gz TUDRKJHUJKQYKE-UHFFFAOYSA-N 0 3 471.601 5.676 50 0 JKAAHN Clc1ccccc1-c1nnc([C@H](NC2CCN(Cc3ccccc3)CC2)c2ccccc2)o1 ZINC000015733711 555979106 /nfs/dbraw/zinc/97/91/06/555979106.db2.gz VHMZGEVPWGURDE-RUZDIDTESA-N 0 3 458.993 5.734 50 0 JKAAHN CC[C@H]1CCCCN1Cc1ccc(CNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)o1 ZINC000015734912 555980720 /nfs/dbraw/zinc/98/07/20/555980720.db2.gz BCBHQWZNXSNNJI-NRFANRHFSA-N 0 3 493.677 5.095 50 0 JKAAHN CSc1ccc(CN2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)cc1 ZINC000012450909 555980883 /nfs/dbraw/zinc/98/08/83/555980883.db2.gz GAOVMQZNVAZHSG-DEOSSOPVSA-N 0 3 494.730 5.699 50 0 JKAAHN COc1cc([C@@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)ccc1OCC(C)C ZINC000012529254 555998679 /nfs/dbraw/zinc/99/86/79/555998679.db2.gz FXJIUWCWFITSLG-IDISGSTGSA-N 0 3 495.450 7.343 50 0 JKAAHN Cc1nn(-c2ccccc2)c2sc(C(=O)NCC3CCN(Cc4cccc(F)c4)CC3)cc12 ZINC000015821609 556010209 /nfs/dbraw/zinc/01/02/09/556010209.db2.gz GILVKDRSGGNNOK-UHFFFAOYSA-N 0 3 462.594 5.177 50 0 JKAAHN CSc1ccc(NC(=O)CC[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)cc1 ZINC000023129629 556018899 /nfs/dbraw/zinc/01/88/99/556018899.db2.gz OUFYTTIHAOSMJZ-SQJMNOBHSA-N 0 3 488.097 5.004 50 0 JKAAHN CC(C)c1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCC(C)CC2)cc1 ZINC000015859431 556029697 /nfs/dbraw/zinc/02/96/97/556029697.db2.gz FZVZMOLHLWNEAQ-MHZLTWQESA-N 0 3 472.654 7.691 50 0 JKAAHN COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCC(C)CC2)cc1 ZINC000015859375 556029713 /nfs/dbraw/zinc/02/97/13/556029713.db2.gz FXZASRCFUJAURZ-RUZDIDTESA-N 0 3 460.599 6.577 50 0 JKAAHN COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCC(C)CC2)cc1 ZINC000015859457 556030100 /nfs/dbraw/zinc/03/01/00/556030100.db2.gz SKCAYPYPPGIUFW-HHHXNRCGSA-N 0 3 454.570 6.515 50 0 JKAAHN COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)N2CCC(C)CC2)cc1 ZINC000015859573 556030492 /nfs/dbraw/zinc/03/04/92/556030492.db2.gz MFXYQIHBIKMDBG-MUUNZHRXSA-N 0 3 468.597 6.823 50 0 JKAAHN CCC(CC)C(=O)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023333217 556043420 /nfs/dbraw/zinc/04/34/20/556043420.db2.gz GBVZYWRBVVKWAT-UHFFFAOYSA-N 0 3 486.582 5.926 50 0 JKAAHN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000012563385 556058216 /nfs/dbraw/zinc/05/82/16/556058216.db2.gz CCVGPSSIPPYTFZ-NAKRPHOHSA-N 0 3 478.596 5.304 50 0 JKAAHN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc1 ZINC000012563383 556058281 /nfs/dbraw/zinc/05/82/81/556058281.db2.gz CCVGPSSIPPYTFZ-LEAFIULHSA-N 0 3 478.596 5.304 50 0 JKAAHN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3c4ccc(C)cc4[C@@H]4CN(C)CC[C@H]43)cc12 ZINC000012564980 556061493 /nfs/dbraw/zinc/06/14/93/556061493.db2.gz VMZVMGWPJXZHKE-JTHBVZDNSA-N 0 3 477.033 5.805 50 0 JKAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)C[C@@H](C)CC2 ZINC000012566331 556064076 /nfs/dbraw/zinc/06/40/76/556064076.db2.gz JFEMLVUKXMCDEG-KEUMZAPGSA-N 0 3 472.695 5.571 50 0 JKAAHN CCCNCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CC[C@@H](C(C)(C)C)C2 ZINC000015946027 556082234 /nfs/dbraw/zinc/08/22/34/556082234.db2.gz YKOXYHMSYBJYGV-MRXNPFEDSA-N 0 3 487.666 5.107 50 0 JKAAHN Cc1cccc(NC(=O)c2c(NC(=O)CNCC(C)C)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015946740 556083581 /nfs/dbraw/zinc/08/35/81/556083581.db2.gz PWWURYKVXYGPAU-SFHVURJKSA-N 0 3 455.668 5.644 50 0 JKAAHN Cc1cc(Br)c(NC(=O)[C@H](C)N[C@H]2CCCc3ccccc32)c(Br)c1 ZINC000012630887 556093402 /nfs/dbraw/zinc/09/34/02/556093402.db2.gz BEOGAYAWHNPLBW-UGSOOPFHSA-N 0 3 466.217 5.514 50 0 JKAAHN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012659501 556100028 /nfs/dbraw/zinc/10/00/28/556100028.db2.gz CYXPZJSOSYXEMC-NNJLBEARSA-N 0 3 455.683 5.942 50 0 biogenic JKAAHN COc1cccc([C@@H]2CN[C@H](c3ccc(C(F)(F)F)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025461670 556217013 /nfs/dbraw/zinc/21/70/13/556217013.db2.gz LYEMGMUNUMROOV-WMZHIEFXSA-N 0 3 452.476 6.028 50 0 JKAAHN COc1cccc([C@H](CNc2nc(C)nc3scc(-c4ccc(OC)c(OC)c4)c32)N(C)C)c1 ZINC000013039145 556239206 /nfs/dbraw/zinc/23/92/06/556239206.db2.gz AIQWEORHIWFQFJ-NRFANRHFSA-N 0 3 478.618 5.407 50 0 JKAAHN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](NCCC(C)C)c1ccccc1 ZINC000013062626 556257723 /nfs/dbraw/zinc/25/77/23/556257723.db2.gz WFOFKOTZDHXJJH-QHCPKHFHSA-N 0 3 450.604 5.907 50 0 JKAAHN COc1ccc([C@@H](CNc2nc(CN3CCC(C)CC3)nc3sc4c(c32)CCC4)N(C)C)cc1 ZINC000013068837 556265281 /nfs/dbraw/zinc/26/52/81/556265281.db2.gz CUDHGURZSCBGIB-JOCHJYFZSA-N 0 3 479.694 5.135 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000017918762 556271733 /nfs/dbraw/zinc/27/17/33/556271733.db2.gz QFJKRRSVWVMFHB-QHAWAJNXSA-N 0 3 483.749 5.154 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000017950675 556272624 /nfs/dbraw/zinc/27/26/24/556272624.db2.gz UWLGEGGSZYIQSL-QHAWAJNXSA-N 0 3 473.743 5.698 50 0 JKAAHN CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000018069119 556283618 /nfs/dbraw/zinc/28/36/18/556283618.db2.gz KSVSTAIYMSQLPT-SMIHKQSGSA-N 0 3 495.406 6.342 50 0 JKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000018089217 556286305 /nfs/dbraw/zinc/28/63/05/556286305.db2.gz OTRMFXSWOBENJI-VSKRKVRLSA-N 0 3 486.877 5.718 50 0 JKAAHN CC1CCN([C@H](CNC(=O)C2C[C@H]3CC[C@@H](C2)C32SCCS2)c2cccs2)CC1 ZINC000027573886 556299495 /nfs/dbraw/zinc/29/94/95/556299495.db2.gz WJQSWKBOZWOWMQ-RAFMOHDBSA-N 0 3 450.739 5.250 50 0 JKAAHN CC(C)c1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000027585221 556300577 /nfs/dbraw/zinc/30/05/77/556300577.db2.gz XYHGWGHYUGULPK-UHFFFAOYSA-N 0 3 487.651 6.431 50 0 JKAAHN Cc1c2ccc(Br)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000027662454 556302021 /nfs/dbraw/zinc/30/20/21/556302021.db2.gz ZXRKMMAAUJHUTM-QFIPXVFZSA-N 0 3 469.423 6.159 50 0 JKAAHN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000027662669 556302071 /nfs/dbraw/zinc/30/20/71/556302071.db2.gz VFGVKIRLQSRLRM-GOSISDBHSA-N 0 3 461.425 5.912 50 0 JKAAHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc21)c1ccc(C(C)C)cc1 ZINC000028403057 556332657 /nfs/dbraw/zinc/33/26/57/556332657.db2.gz TZMOHQSSIBUNBP-HKBQPEDESA-N 0 3 495.667 6.847 50 0 JKAAHN O=C(Nc1ccc(F)cc1)[C@@H](NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1 ZINC000013131745 556358195 /nfs/dbraw/zinc/35/81/95/556358195.db2.gz UZTSBDMMRJSSJV-WNJJXGMVSA-N 0 3 463.556 6.409 50 0 JKAAHN Fc1ccc(-c2csc3ncnc(N4CCN(C5c6ccccc6-c6ccccc65)CC4)c23)cc1 ZINC000019682030 556359864 /nfs/dbraw/zinc/35/98/64/556359864.db2.gz GORJZIGYGWGRPV-UHFFFAOYSA-N 0 3 478.596 6.389 50 0 JKAAHN O=C1c2cccc(N3CCN(Cc4cccc5ccccc54)CC3)c2C(=O)N1Cc1ccsc1 ZINC000019721109 556361862 /nfs/dbraw/zinc/36/18/62/556361862.db2.gz UDVCFKRWFWDONC-UHFFFAOYSA-N 0 3 467.594 5.020 50 0 JKAAHN COC(=O)c1sc2nc(CN(C)CCc3ccccc3)ccc2c1NC(=O)c1ccccc1F ZINC000019745547 556366027 /nfs/dbraw/zinc/36/60/27/556366027.db2.gz ILPSPPSFYRPIME-UHFFFAOYSA-N 0 3 477.561 5.149 50 0 JKAAHN O=C(NCCSCc1ccccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019800347 556377584 /nfs/dbraw/zinc/37/75/84/556377584.db2.gz FCZPTECQJHGMMV-UHFFFAOYSA-N 0 3 451.035 5.562 50 0 JKAAHN O=C(CC1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000019817425 556383376 /nfs/dbraw/zinc/38/33/76/556383376.db2.gz KAGXZJKVICUJDO-FQEVSTJZSA-N 0 3 456.468 5.304 50 0 JKAAHN CC(C)(C)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000031982451 556412269 /nfs/dbraw/zinc/41/22/69/556412269.db2.gz YCADFOXVGUGHRV-UHFFFAOYSA-N 0 3 469.669 6.595 50 0 JKAAHN CCNC(=O)[C@@H]1C[C@H](NCc2cccc(Oc3ccccc3)c2)CN1Cc1cccc2ccccc21 ZINC000032511826 556443891 /nfs/dbraw/zinc/44/38/91/556443891.db2.gz XUGFIVOUFMBGES-YZNIXAGQSA-N 0 3 479.624 5.501 50 0 JKAAHN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(OCc2ccccc2)c1)N(CCCN(C)C)C3=O ZINC000032593443 556447531 /nfs/dbraw/zinc/44/75/31/556447531.db2.gz ACUQTOYQROJKET-MHZLTWQESA-N 0 3 482.580 5.177 50 0 JKAAHN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(OCc2ccccc2)c1)N(CCCN(C)C)C3=O ZINC000032593444 556447587 /nfs/dbraw/zinc/44/75/87/556447587.db2.gz ACUQTOYQROJKET-HHHXNRCGSA-N 0 3 482.580 5.177 50 0 JKAAHN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(OCc2ccccc2)cc1)N(CCCN(C)C)C3=O ZINC000032593441 556447599 /nfs/dbraw/zinc/44/75/99/556447599.db2.gz ZLKJKJYZWRMULG-MHZLTWQESA-N 0 3 482.580 5.177 50 0 JKAAHN CCCCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000032622848 556452778 /nfs/dbraw/zinc/45/27/78/556452778.db2.gz HRYDGBRYSOLZNE-HSZRJFAPSA-N 0 3 468.981 5.122 50 0 JKAAHN CN(C)CCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000008595283 562943736 /nfs/dbraw/zinc/94/37/36/562943736.db2.gz GLWYWYFMOQZWFQ-UHFFFAOYSA-N 0 3 483.996 5.082 50 0 JKAAHN CC(C)Oc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000008602112 562945794 /nfs/dbraw/zinc/94/57/94/562945794.db2.gz FKTSWTSXWKVTPV-UHFFFAOYSA-N 0 3 495.667 6.005 50 0 JKAAHN CCCOc1ccc(C(=O)[C@H](CC[C@@H](CN(C)C)C(=O)c2ccc(OCCC)cc2)CN(C)C)cc1 ZINC000006500692 569589079 /nfs/dbraw/zinc/58/90/79/569589079.db2.gz LWQLTAXHAYVLRG-WMPKNSHKSA-N 0 3 496.692 5.466 50 0 JKAAHN Cc1cccc(N(C(=O)COc2ccccc2)[C@H]2C(Oc3ccccc3)C(=O)N2c2cccc(C)c2)c1 ZINC000008439683 569589928 /nfs/dbraw/zinc/58/99/28/569589928.db2.gz RFNWERHKORQZJD-LOYHVIPDSA-N 0 3 492.575 5.536 50 0 JKAAHN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000055529495 569592094 /nfs/dbraw/zinc/59/20/94/569592094.db2.gz WVAOWTLFIUJCAT-UHFFFAOYSA-N 0 3 457.618 5.324 50 0 JKAAHN Cc1c(C)c(C)c(P(C(C)(C)C)C(C)(C)C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1C ZINC000056961829 569593568 /nfs/dbraw/zinc/59/35/68/569593568.db2.gz RCRYEYMHBHPZQD-UHFFFAOYSA-N 0 3 480.761 10.662 50 0 JKAAHN Cc1ccc(C2=C(Cl)/C(=C\CN3CCCCC3)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000057063755 569594231 /nfs/dbraw/zinc/59/42/31/569594231.db2.gz XQSOUHWKXMZLIJ-YNMQQHPQSA-N 0 3 474.019 7.678 50 0 JKAAHN CCN1CCN(c2ccc(NC(=O)c3ccccc3SCC(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000008726463 569600754 /nfs/dbraw/zinc/60/07/54/569600754.db2.gz YWFHBSPYDRQBOP-UHFFFAOYSA-N 0 3 488.657 5.120 50 0 JKAAHN CC[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984028 569607263 /nfs/dbraw/zinc/60/72/63/569607263.db2.gz PHUSKVXGMXQXPT-OJLHXUGZSA-N 0 3 490.003 5.352 50 0 JKAAHN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000061996994 569609618 /nfs/dbraw/zinc/60/96/18/569609618.db2.gz JWYNWNZVYGMCGY-AFFJLAOCSA-N 0 3 462.556 5.286 50 0 biogenic JKAAHN CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)c3ccc(Cl)cc3)c(CN(C)C)c21 ZINC000062718619 569614523 /nfs/dbraw/zinc/61/45/23/569614523.db2.gz JIXPASOGTPURNU-UHFFFAOYSA-N 0 3 477.944 6.211 50 0 JKAAHN Cc1c(C[NH2+]CCCN(Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000063666788 569616014 /nfs/dbraw/zinc/61/60/14/569616014.db2.gz VJVYHYJEFYGNBL-UHFFFAOYSA-N 0 3 482.068 5.895 50 0 JKAAHN Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCCCN(C)Cc4ccccc4)c3)n2)cc1 ZINC000033025256 569620637 /nfs/dbraw/zinc/62/06/37/569620637.db2.gz GHHSWAAQFIJUSD-UHFFFAOYSA-N 0 3 465.601 5.448 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1 ZINC000033025337 569620699 /nfs/dbraw/zinc/62/06/99/569620699.db2.gz WBFONXHGFVFWNN-UHFFFAOYSA-N 0 3 481.575 5.421 50 0 JKAAHN CC[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000064666429 569623855 /nfs/dbraw/zinc/62/38/55/569623855.db2.gz JJQHPANFCZTJIG-HXUWFJFHSA-N 0 3 467.038 5.596 50 0 JKAAHN CCOc1ccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064746123 569625315 /nfs/dbraw/zinc/62/53/15/569625315.db2.gz JCAFUQGVPLWBAB-UHFFFAOYSA-N 0 3 482.698 5.522 50 0 JKAAHN CN(CCCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21)Cc1ccccc1 ZINC000064816530 569633543 /nfs/dbraw/zinc/63/35/43/569633543.db2.gz MXEJRBMLDLFLNC-UHFFFAOYSA-N 0 3 452.023 5.662 50 0 JKAAHN CC[C@H](CN(C)Cc1ccccc1)NC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064816537 569633561 /nfs/dbraw/zinc/63/35/61/569633561.db2.gz YZBXCZLGFGKXPD-JOCHJYFZSA-N 0 3 466.050 6.050 50 0 JKAAHN O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NCCN1CCC(Cc2ccccc2)CC1 ZINC000064816535 569633586 /nfs/dbraw/zinc/63/35/86/569633586.db2.gz JONVTFJLZGZWIL-UHFFFAOYSA-N 0 3 492.088 6.094 50 0 JKAAHN Cc1ccc(Cn2cc([C@H](CC(=O)NCCN(C)C)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000033784435 569634906 /nfs/dbraw/zinc/63/49/06/569634906.db2.gz NQGMAITWKVJPGC-AREMUKBSSA-N 0 3 457.593 5.337 50 0 JKAAHN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCC(C)C ZINC000034671635 569640718 /nfs/dbraw/zinc/64/07/18/569640718.db2.gz CAERHAIDLRUAHF-LOYHVIPDSA-N 0 3 470.657 6.072 50 0 JKAAHN COc1ccc(CCNC(=O)[C@@H]2CC[C@H](c3ccccc3)N(Cc3cccc(OC)c3)C2)cc1 ZINC000034669888 569640757 /nfs/dbraw/zinc/64/07/57/569640757.db2.gz QLGTWQMVYIQEOU-LEAFIULHSA-N 0 3 458.602 5.016 50 0 JKAAHN COc1ccc(CCNC(=O)[C@@H]2CC[C@@H](c3ccccc3)N(Cc3cccc(OC)c3)C2)cc1 ZINC000034669893 569640829 /nfs/dbraw/zinc/64/08/29/569640829.db2.gz QLGTWQMVYIQEOU-NAKRPHOHSA-N 0 3 458.602 5.016 50 0 JKAAHN COc1cccc(CN2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@@H]2c2ccccc2)c1 ZINC000034669816 569640832 /nfs/dbraw/zinc/64/08/32/569640832.db2.gz QRDBQBIDDYPYCH-JYFHCDHNSA-N 0 3 482.546 5.984 50 0 JKAAHN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCCOC ZINC000034671638 569640853 /nfs/dbraw/zinc/64/08/53/569640853.db2.gz QPSONGGBLIJULB-VMPREFPWSA-N 0 3 472.629 5.063 50 0 JKAAHN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NC(C)C ZINC000034671675 569640906 /nfs/dbraw/zinc/64/09/06/569640906.db2.gz WSKMESBHYOFRMV-URLMMPGGSA-N 0 3 456.630 5.825 50 0 JKAAHN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccco1 ZINC000034671655 569640913 /nfs/dbraw/zinc/64/09/13/569640913.db2.gz WIGVXPPVVIUFFQ-FIRIVFDPSA-N 0 3 494.635 6.210 50 0 JKAAHN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NC[C@H]1CCCO1 ZINC000034671749 569640939 /nfs/dbraw/zinc/64/09/39/569640939.db2.gz WEXYDHIQPYZQSU-LMERMFHRSA-N 0 3 498.667 5.595 50 0 JKAAHN CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2 ZINC000034671704 569641028 /nfs/dbraw/zinc/64/10/28/569641028.db2.gz SQTNFYWNXNCNAR-FQLXRVMXSA-N 0 3 456.630 5.826 50 0 JKAAHN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1)NCCN1CCCCC1 ZINC000034679872 569642872 /nfs/dbraw/zinc/64/28/72/569642872.db2.gz UNQKJCFQSCLUSC-UHFFFAOYSA-N 0 3 490.047 5.332 50 0 JKAAHN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(Cl)cc2)cc1)NCCN1CCCC1 ZINC000034680010 569642913 /nfs/dbraw/zinc/64/29/13/569642913.db2.gz CGBPDTYJLPEBQL-UHFFFAOYSA-N 0 3 494.010 5.081 50 0 JKAAHN COc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)cc1 ZINC000034681633 569643308 /nfs/dbraw/zinc/64/33/08/569643308.db2.gz RFFGEAKAIWWXRG-UHFFFAOYSA-N 0 3 472.633 5.352 50 0 JKAAHN CC(C)c1ccc(CN2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)cc1 ZINC000034681642 569643382 /nfs/dbraw/zinc/64/33/82/569643382.db2.gz GJBMIAHBKZGAQT-UHFFFAOYSA-N 0 3 484.688 6.467 50 0 JKAAHN CC[C@@H](C(=O)Nc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc1)c1ccccc1 ZINC000034681876 569643521 /nfs/dbraw/zinc/64/35/21/569643521.db2.gz PXDKCAMAIWCDHX-RUZDIDTESA-N 0 3 496.577 5.945 50 0 JKAAHN Cc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000034682543 569643894 /nfs/dbraw/zinc/64/38/94/569643894.db2.gz LJSQJJLFZUBAPR-UHFFFAOYSA-N 0 3 452.520 6.325 50 0 JKAAHN Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000034682893 569644063 /nfs/dbraw/zinc/64/40/63/569644063.db2.gz CPJYHGDMIOOMDH-UHFFFAOYSA-N 0 3 470.510 6.464 50 0 JKAAHN CCCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682884 569644191 /nfs/dbraw/zinc/64/41/91/569644191.db2.gz OODOAFLDLTXFSW-UHFFFAOYSA-N 0 3 464.528 5.520 50 0 JKAAHN CCNC(=O)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)N(Cc2ccccc2)CC3)o1 ZINC000034685557 569645076 /nfs/dbraw/zinc/64/50/76/569645076.db2.gz DFYIPDGXISMAKF-LJAQVGFWSA-N 0 3 466.581 5.756 50 0 JKAAHN CCNC(=O)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)N(Cc2ccccc2)CC3)o1 ZINC000034685558 569645189 /nfs/dbraw/zinc/64/51/89/569645189.db2.gz DFYIPDGXISMAKF-GDLZYMKVSA-N 0 3 466.581 5.756 50 0 JKAAHN Cc1cccc(CN2CCc3ccc(O[C@@H](C)C(=O)N(C)Cc4ccco4)cc3[C@H]2c2ccccc2)c1 ZINC000034686596 569645486 /nfs/dbraw/zinc/64/54/86/569645486.db2.gz VUFGREGMGZHINS-QXNWPYRLSA-N 0 3 494.635 6.162 50 0 JKAAHN Cc1cccc(CN2CCc3ccc(O[C@@H](C)C(=O)N(C)Cc4ccco4)cc3[C@@H]2c2ccccc2)c1 ZINC000034686595 569645503 /nfs/dbraw/zinc/64/55/03/569645503.db2.gz VUFGREGMGZHINS-DLLPINGYSA-N 0 3 494.635 6.162 50 0 JKAAHN COc1ccccc1CN1C[C@H](CN(CC(C)C)C(=O)c2ccccc2)[C@@H](c2ccccc2OC)C1 ZINC000034698897 569647959 /nfs/dbraw/zinc/64/79/59/569647959.db2.gz PCVMLOOBHWLPSI-IAPPQJPRSA-N 0 3 486.656 5.718 50 0 JKAAHN Cc1ccccc1[C@H]1CN(Cc2ccco2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698869 569648049 /nfs/dbraw/zinc/64/80/49/569648049.db2.gz ADDHYRFDVZGMRR-IRPSRAIASA-N 0 3 456.630 6.279 50 0 JKAAHN CC(C)CN(C[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699043 569648161 /nfs/dbraw/zinc/64/81/61/569648161.db2.gz FJAFEBNWSSCYAB-AOYPEHQESA-N 0 3 480.574 6.118 50 0 JKAAHN CC(C)N(C[C@H]1CN(Cc2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000034699057 569648251 /nfs/dbraw/zinc/64/82/51/569648251.db2.gz DCTADPKXNNCYLW-ATIYNZHBSA-N 0 3 451.561 5.070 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3ccc[nH]3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698927 569648284 /nfs/dbraw/zinc/64/82/84/569648284.db2.gz XOVCGJQEXIUTHS-YIXXDRMTSA-N 0 3 463.597 5.176 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3ccsc3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698925 569648311 /nfs/dbraw/zinc/64/83/11/569648311.db2.gz FTUPNUGTVZLNJF-SHQCIBLASA-N 0 3 480.649 5.910 50 0 JKAAHN COc1ccc([C@@H]2CN(Cc3cc(C)c(C)o3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699368 569648595 /nfs/dbraw/zinc/64/85/95/569648595.db2.gz VTRYEKFMEUKFQE-YWEHKCAJSA-N 0 3 464.581 5.308 50 0 JKAAHN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H](c2ccccc2)CN(Cc2ccc(F)c(F)c2)C1 ZINC000034711127 569650811 /nfs/dbraw/zinc/65/08/11/569650811.db2.gz UCHLTSVVRWXOGG-FCHUYYIVSA-N 0 3 488.500 5.906 50 0 JKAAHN CC(=O)N1CCc2cc(-c3ccc(C(=O)NCC4CCN(Cc5ccc(C)cc5)CC4)cc3)ccc21 ZINC000065027001 569651613 /nfs/dbraw/zinc/65/16/13/569651613.db2.gz AYSHIIMJHURRKJ-UHFFFAOYSA-N 0 3 481.640 5.213 50 0 JKAAHN Cc1cc([C@H]2C[C@@H](C(=O)NCc3ccccc3)CN(Cc3ccccc3Cl)C2)ccc1F ZINC000034716673 569651689 /nfs/dbraw/zinc/65/16/89/569651689.db2.gz HQXPOONHPNENIO-BJKOFHAPSA-N 0 3 450.985 5.710 50 0 JKAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)CN(Cc3ccccc3Cl)C2)cc1 ZINC000034716684 569651705 /nfs/dbraw/zinc/65/17/05/569651705.db2.gz ZAXWZCNDEVHJJM-FGZHOGPDSA-N 0 3 466.984 6.041 50 0 JKAAHN Cc1cc([C@H]2C[C@H](C(=O)NCCc3ccccc3)CN(Cc3ccccc3Cl)C2)ccc1F ZINC000034716699 569651714 /nfs/dbraw/zinc/65/17/14/569651714.db2.gz CKLLAPHFIQUQEU-DQEYMECFSA-N 0 3 465.012 5.752 50 0 JKAAHN C[C@H](NC(=O)[C@@H]1C[C@H](c2ccc(F)cc2)CN(Cc2ccccc2Cl)C1)c1ccccc1 ZINC000034716594 569651737 /nfs/dbraw/zinc/65/17/37/569651737.db2.gz OEISLAFLCLOQEP-WDJPJFJCSA-N 0 3 450.985 5.962 50 0 JKAAHN COc1ccc(NC(=O)[C@@H]2C[C@H](c3ccc(F)c(C)c3)CN(Cc3ccccc3Cl)C2)cc1 ZINC000034716685 569651757 /nfs/dbraw/zinc/65/17/57/569651757.db2.gz ZAXWZCNDEVHJJM-FCHUYYIVSA-N 0 3 466.984 6.041 50 0 JKAAHN Cc1cccc(CNC(=O)[C@H]2C[C@H](c3ccc(F)cc3)CN(Cc3ccc(F)cc3F)C2)c1 ZINC000034716761 569651840 /nfs/dbraw/zinc/65/18/40/569651840.db2.gz DOGFDCOVMRUCNZ-GOTSBHOMSA-N 0 3 452.520 5.334 50 0 JKAAHN O=C(NCc1cccc(F)c1)[C@H]1C[C@@H](c2ccc(F)cc2)CN(Cc2ccc(F)cc2F)C1 ZINC000034716759 569651849 /nfs/dbraw/zinc/65/18/49/569651849.db2.gz 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C[C@@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CCN(C)C)C(=S)Nc1ccc(F)cc1 ZINC000036312917 569760419 /nfs/dbraw/zinc/76/04/19/569760419.db2.gz HKJSVDYSPZBVMO-HXUWFJFHSA-N 0 3 495.668 5.620 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccccc1 ZINC000036313004 569760621 /nfs/dbraw/zinc/76/06/21/569760621.db2.gz WYYCHIWVOIVBSD-BVAGGSTKSA-N 0 3 477.649 5.510 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C ZINC000036313769 569760934 /nfs/dbraw/zinc/76/09/34/569760934.db2.gz FZVNYDSIVQWRGH-QFIPXVFZSA-N 0 3 451.611 5.650 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036313819 569761100 /nfs/dbraw/zinc/76/11/00/569761100.db2.gz CLPJXIYNMFNPGH-HSZRJFAPSA-N 0 3 469.601 5.407 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)[C@@H](C)CC ZINC000036313783 569761167 /nfs/dbraw/zinc/76/11/67/569761167.db2.gz IWODRLCSHBUFCO-GMAHTHKFSA-N 0 3 465.638 6.040 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC(C)C ZINC000036313827 569761195 /nfs/dbraw/zinc/76/11/95/569761195.db2.gz ZETAPCADKPSRQB-XMMPIXPASA-N 0 3 483.628 5.654 50 0 JKAAHN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036313782 569761223 /nfs/dbraw/zinc/76/12/23/569761223.db2.gz FRFHNRMODQCKTK-DEOSSOPVSA-N 0 3 493.648 5.278 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036313780 569761228 /nfs/dbraw/zinc/76/12/28/569761228.db2.gz FRFHNRMODQCKTK-XMMPIXPASA-N 0 3 493.648 5.278 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036313839 569761267 /nfs/dbraw/zinc/76/12/67/569761267.db2.gz MWFWZBXNIBAISF-DEOSSOPVSA-N 0 3 479.640 6.690 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C ZINC000036313941 569761668 /nfs/dbraw/zinc/76/16/68/569761668.db2.gz GCYFPYNIVQXXQN-XMMPIXPASA-N 0 3 495.664 5.524 50 0 JKAAHN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)C ZINC000036316105 569762031 /nfs/dbraw/zinc/76/20/31/569762031.db2.gz AGYHLSMGARHSQG-JOCHJYFZSA-N 0 3 487.591 5.402 50 0 JKAAHN Cc1ccc(Oc2c(CN(C[C@@H](O)COc3ccccc3C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316027 569762077 /nfs/dbraw/zinc/76/20/77/569762077.db2.gz QICHOERVFPEYCW-AREMUKBSSA-N 0 3 499.655 6.147 50 0 JKAAHN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)C ZINC000036316104 569762095 /nfs/dbraw/zinc/76/20/95/569762095.db2.gz AGYHLSMGARHSQG-QFIPXVFZSA-N 0 3 487.591 5.402 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036316118 569762128 /nfs/dbraw/zinc/76/21/28/569762128.db2.gz YKLZDUXAEJEQMU-OAQYLSRUSA-N 0 3 473.564 5.013 50 0 JKAAHN Cc1ccc(Oc2c(CN(C[C@H](O)COc3ccccc3)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316020 569762144 /nfs/dbraw/zinc/76/21/44/569762144.db2.gz NQBIKSXAQMYINF-VWLOTQADSA-N 0 3 485.628 5.838 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)(C)C ZINC000036316152 569762158 /nfs/dbraw/zinc/76/21/58/569762158.db2.gz MJVBFRFUMKXDKH-NRFANRHFSA-N 0 3 487.591 5.546 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COCC(C)C ZINC000036316147 569762177 /nfs/dbraw/zinc/76/21/77/569762177.db2.gz GXIZKGQKSGZNPC-JOCHJYFZSA-N 0 3 487.591 5.403 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036316176 569762323 /nfs/dbraw/zinc/76/23/23/569762323.db2.gz SYLNZPPXUUUYTD-QFIPXVFZSA-N 0 3 471.592 6.167 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036316177 569762326 /nfs/dbraw/zinc/76/23/26/569762326.db2.gz SYLNZPPXUUUYTD-JOCHJYFZSA-N 0 3 471.592 6.167 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000036316400 569762717 /nfs/dbraw/zinc/76/27/17/569762717.db2.gz YNYGAYHNKRAINX-GMAHTHKFSA-N 0 3 481.637 5.234 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036316360 569762825 /nfs/dbraw/zinc/76/28/25/569762825.db2.gz GSRBENIBWYXOPI-QHCPKHFHSA-N 0 3 481.637 5.091 50 0 JKAAHN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CC(C)C)C[C@@H](O)COC(C)C ZINC000036316453 569763143 /nfs/dbraw/zinc/76/31/43/569763143.db2.gz NMUOLNXRZOQJGZ-HSZRJFAPSA-N 0 3 483.628 5.610 50 0 JKAAHN CC(C)OC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(C)C ZINC000036316546 569763214 /nfs/dbraw/zinc/76/32/14/569763214.db2.gz HGHKNEUODDWSHO-NRFANRHFSA-N 0 3 472.029 5.529 50 0 JKAAHN CC(C)OC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(C)C ZINC000036316547 569763276 /nfs/dbraw/zinc/76/32/76/569763276.db2.gz HGHKNEUODDWSHO-OAQYLSRUSA-N 0 3 472.029 5.529 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036342009 569765059 /nfs/dbraw/zinc/76/50/59/569765059.db2.gz HZOWYFLPMBRRRR-REWPJTCUSA-N 0 3 469.601 5.499 50 0 JKAAHN COc1cccc(Oc2c(CN(CC(C)C)C[C@H](O)COC(C)(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341972 569765104 /nfs/dbraw/zinc/76/51/04/569765104.db2.gz AETLXXHNRYRAJK-DEOSSOPVSA-N 0 3 495.664 5.616 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036342075 569765231 /nfs/dbraw/zinc/76/52/31/569765231.db2.gz NHZSDIKWFHMHAA-RDPSFJRHSA-N 0 3 483.628 5.889 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@@H](C)CC ZINC000036342068 569765301 /nfs/dbraw/zinc/76/53/01/569765301.db2.gz QXAQDCYNPIVUGC-SQJMNOBHSA-N 0 3 483.628 5.890 50 0 JKAAHN CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(C)C2CCCCC2)cc1 ZINC000036344050 569766732 /nfs/dbraw/zinc/76/67/32/569766732.db2.gz VTFSQRSVEZOOEW-SANMLTNESA-N 0 3 479.621 5.045 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)[C@@H](C)CC ZINC000036345828 569768357 /nfs/dbraw/zinc/76/83/57/569768357.db2.gz HYMXTUIGQHQFCD-URXFXBBRSA-N 0 3 451.611 5.279 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC(C)C ZINC000036345848 569768483 /nfs/dbraw/zinc/76/84/83/569768483.db2.gz DSZMAKIPDMSNOU-DEOSSOPVSA-N 0 3 451.611 5.137 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)[C@H](C)CC ZINC000036345827 569768504 /nfs/dbraw/zinc/76/85/04/569768504.db2.gz HYMXTUIGQHQFCD-QPPBQGQZSA-N 0 3 451.611 5.279 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036345964 569768561 /nfs/dbraw/zinc/76/85/61/569768561.db2.gz MSZKJAUIGRUQGM-SANMLTNESA-N 0 3 487.619 6.174 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CC(C)C)C[C@H](O)COCC(C)C ZINC000036345965 569768612 /nfs/dbraw/zinc/76/86/12/569768612.db2.gz DNTZGCMDGLWPII-DEOSSOPVSA-N 0 3 483.628 5.604 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036346127 569769012 /nfs/dbraw/zinc/76/90/12/569769012.db2.gz XODBHTGNLXZMGC-VWLOTQADSA-N 0 3 479.665 5.915 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(CC(C)C)C[C@H](O)COC(C)C ZINC000036346115 569769063 /nfs/dbraw/zinc/76/90/63/569769063.db2.gz VQLZBTYEGDPUGT-VWLOTQADSA-N 0 3 465.638 5.525 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036346183 569769201 /nfs/dbraw/zinc/76/92/01/569769201.db2.gz APWGJNYOCUHSHT-RDGATRHJSA-N 0 3 465.638 5.668 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)[C@@H](C)CC ZINC000036346194 569769244 /nfs/dbraw/zinc/76/92/44/569769244.db2.gz WTAKVRIEVMBHGD-URXFXBBRSA-N 0 3 451.611 5.279 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@H](O)c1ccccc1)CC1CC1 ZINC000036346417 569769647 /nfs/dbraw/zinc/76/96/47/569769647.db2.gz LTUDNZDRTIHKRI-NDEPHWFRSA-N 0 3 471.576 6.058 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346553 569770179 /nfs/dbraw/zinc/77/01/79/569770179.db2.gz GCPXNRQUHWFIMD-VWLOTQADSA-N 0 3 461.650 6.299 50 0 JKAAHN Cc1ccc(Oc2c(CN(CC(C)C)C[C@H](O)COCC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346775 569770779 /nfs/dbraw/zinc/77/07/79/569770779.db2.gz LHVWJGULSAETLU-VWLOTQADSA-N 0 3 479.665 5.679 50 0 JKAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000101028395 569780014 /nfs/dbraw/zinc/78/00/14/569780014.db2.gz COLRNCLXYGUNNM-BDTNDASRSA-N 0 3 469.324 5.053 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3cccc(F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276310 569782186 /nfs/dbraw/zinc/78/21/86/569782186.db2.gz GNOYEOYBGUZXFS-VAVYLYDRSA-N 0 3 492.610 5.987 50 0 JKAAHN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCCN1CCCCC1)nc2-c1cccc(Cl)c1 ZINC000037358447 569783607 /nfs/dbraw/zinc/78/36/07/569783607.db2.gz BZIJDUSZWURXKN-UHFFFAOYSA-N 0 3 482.419 5.269 50 0 JKAAHN CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000037379720 569784823 /nfs/dbraw/zinc/78/48/23/569784823.db2.gz ISWVSEZCBQYYOE-UHFFFAOYSA-N 0 3 476.575 5.067 50 0 JKAAHN O=C(C[C@H](CCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12)NCCN1CCCC1 ZINC000037381246 569784957 /nfs/dbraw/zinc/78/49/57/569784957.db2.gz MCOAXVRTDZEVTI-NDEPHWFRSA-N 0 3 479.668 6.008 50 0 JKAAHN O=C(C[C@@H](CCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12)NCCN1CCCC1 ZINC000037381250 569785017 /nfs/dbraw/zinc/78/50/17/569785017.db2.gz MCOAXVRTDZEVTI-MUUNZHRXSA-N 0 3 479.668 6.008 50 0 JKAAHN Cc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCCC3)C3CCCCC3)c3ccccc32)cc1 ZINC000037381690 569785144 /nfs/dbraw/zinc/78/51/44/569785144.db2.gz XZTWAWXTBUVRDO-NDEPHWFRSA-N 0 3 471.689 6.264 50 0 JKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000101167434 569785632 /nfs/dbraw/zinc/78/56/32/569785632.db2.gz LWODHHPUMNDSQK-VSKRKVRLSA-N 0 3 453.325 5.353 50 0 JKAAHN COc1ccccc1[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1CN(CC(C)C)C(=O)C(C)C ZINC000037523980 569792911 /nfs/dbraw/zinc/79/29/11/569792911.db2.gz YDVAVRUXNFOTJQ-GGAORHGYSA-N 0 3 458.593 5.330 50 0 JKAAHN CC(C)CN(C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523705 569792930 /nfs/dbraw/zinc/79/29/30/569792930.db2.gz ZPIVUCUQUYZFHQ-WIOPSUGQSA-N 0 3 478.574 6.201 50 0 JKAAHN CN(C)CCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000037556722 569795243 /nfs/dbraw/zinc/79/52/43/569795243.db2.gz CQUKTIOFWUSEOD-UHFFFAOYSA-N 0 3 484.427 5.061 50 0 JKAAHN Cc1ccc(C(=O)N(Cc2ccc(F)cc2)c2cccc(CC(=O)NCCN3CCCCC3)c2)cc1 ZINC000037601092 569797131 /nfs/dbraw/zinc/79/71/31/569797131.db2.gz YHEURISYOCXUKE-UHFFFAOYSA-N 0 3 487.619 5.126 50 0 JKAAHN Cc1ccc(CN(C(=O)c2ccccc2C)c2cccc(CC(=O)NCCN3CCCCC3)c2)cc1 ZINC000037601164 569797368 /nfs/dbraw/zinc/79/73/68/569797368.db2.gz AMISCEUYZNAKSY-UHFFFAOYSA-N 0 3 483.656 5.295 50 0 JKAAHN CCOc1ccc([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)N2CCC(C)CC2)cc1 ZINC000038546330 569802873 /nfs/dbraw/zinc/80/28/73/569802873.db2.gz SKRPSYDDOJSVAT-SANMLTNESA-N 0 3 478.658 6.692 50 0 JKAAHN COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCC(C)CC2)cc1OC ZINC000038546333 569802885 /nfs/dbraw/zinc/80/28/85/569802885.db2.gz FZFBAWOVGALWBZ-AREMUKBSSA-N 0 3 494.657 6.311 50 0 JKAAHN O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000102697878 569816033 /nfs/dbraw/zinc/81/60/33/569816033.db2.gz DFOOCTZQRWWJOD-ISJGIBHGSA-N 0 3 454.913 5.544 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102697878 569816034 /nfs/dbraw/zinc/81/60/34/569816034.db2.gz DFOOCTZQRWWJOD-ISJGIBHGSA-N 0 3 454.913 5.544 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Br)cc4)[C@H]3C2=O)cc1Cl ZINC000102693819 569816040 /nfs/dbraw/zinc/81/60/40/569816040.db2.gz UEOMMGWREDPZEA-BHIFYINESA-N 0 3 497.776 5.462 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1Cl ZINC000102702894 569816172 /nfs/dbraw/zinc/81/61/72/569816172.db2.gz ONSLCKWIYPZTSG-FDFHNCONSA-N 0 3 453.325 5.353 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102704084 569816404 /nfs/dbraw/zinc/81/64/04/569816404.db2.gz MPCYRNRFSSRROT-PCCBWWKXSA-N 0 3 483.749 5.154 50 0 JKAAHN Cc1cc(C)cc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(Br)c4)[C@H]3C2=O)c1 ZINC000102715291 569817075 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CC(C)c1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000002088190 519833709 /nfs/dbraw/zinc/83/37/09/519833709.db2.gz BJVZUVPEBRFUCT-UHFFFAOYSA-N 0 3 463.625 6.420 50 0 JKAAHN CC(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc32)N2CCCCC2)cc1 ZINC000028293384 519839382 /nfs/dbraw/zinc/83/93/82/519839382.db2.gz SHHJKMGNNRVJGQ-WJOKGBTCSA-N 0 3 477.652 6.982 50 0 JKAAHN CCCN1CCC(N(C(=O)c2ccc(S(C)(=O)=O)cc2)c2ccc3[nH]c(C(C)(C)C)cc3c2)CC1 ZINC000016080050 519843191 /nfs/dbraw/zinc/84/31/91/519843191.db2.gz MQBKFBCPJDVUHH-UHFFFAOYSA-N 0 3 495.689 5.390 50 0 JKAAHN CCCN1CCC(N(C(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)C2CC2)CC1 ZINC000016080102 519843346 /nfs/dbraw/zinc/84/33/46/519843346.db2.gz OOEURFOMKKFJOT-UHFFFAOYSA-N 0 3 473.539 5.437 50 0 JKAAHN CC(C)c1ccccc1OCc1nc(CN(CCN2CCCCC2)C(=O)Cc2ccccc2)cs1 ZINC000036116619 519847685 /nfs/dbraw/zinc/84/76/85/519847685.db2.gz QHQLGBQAASRGPB-UHFFFAOYSA-N 0 3 491.701 5.903 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 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ZINC000046055767 525208684 /nfs/dbraw/zinc/20/86/84/525208684.db2.gz MJDHKUFNELZWID-UHFFFAOYSA-N 0 3 455.602 5.462 50 0 JKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)cc2ccccc21 ZINC000046055808 525209389 /nfs/dbraw/zinc/20/93/89/525209389.db2.gz FDMZKHLOAIDPGW-HKBQPEDESA-N 0 3 491.679 6.404 50 0 JKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc2ccccc21 ZINC000046055804 525209691 /nfs/dbraw/zinc/20/96/91/525209691.db2.gz PCEPVUUALDICPT-UHFFFAOYSA-N 0 3 479.668 6.972 50 0 JKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc2ccccc21 ZINC000046055802 525209868 /nfs/dbraw/zinc/20/98/68/525209868.db2.gz WEBWFKBFEAPADD-UHFFFAOYSA-N 0 3 469.604 5.666 50 0 JKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc2ccccc21 ZINC000046055788 525210014 /nfs/dbraw/zinc/21/00/14/525210014.db2.gz JTBNTXMDWXOSLJ-UHFFFAOYSA-N 0 3 495.623 5.255 50 0 JKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(CSc2nnc(-c3ccccc3)o2)c1 ZINC000020375444 525486584 /nfs/dbraw/zinc/48/65/84/525486584.db2.gz XBBYHSNKDURWIU-RUZDIDTESA-N 0 3 498.608 5.763 50 0 biogenic JKAAHN Cc1cc2c([nH]c(C(=O)NCCN(C)C)c2-c2ccccc2)c(NC(=O)Nc2ccccc2)c1 ZINC000033127276 525588443 /nfs/dbraw/zinc/58/84/43/525588443.db2.gz HTXBWNSYSSUFEA-UHFFFAOYSA-N 0 3 455.562 5.079 50 0 JKAAHN COc1ccc2ncc3c(sc(C(=O)NCCN4CCC(C)CC4)c3-c3ccccc3)c2c1 ZINC000045944036 525682934 /nfs/dbraw/zinc/68/29/34/525682934.db2.gz BMBDKQDFTISAHH-UHFFFAOYSA-N 0 3 459.615 5.587 50 0 JKAAHN Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3cc(Cl)ccc3n2)c(C)c1 ZINC000020357088 525723237 /nfs/dbraw/zinc/72/32/37/525723237.db2.gz HUWZNTSEKPLXKZ-UHFFFAOYSA-N 0 3 484.043 6.566 50 0 JKAAHN COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000012452270 525748146 /nfs/dbraw/zinc/74/81/46/525748146.db2.gz XAFWQXPUYDBKSH-VWLOTQADSA-N 0 3 478.662 5.235 50 0 JKAAHN COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CCN(Cc3sccc3C)CC2)c1 ZINC000012247477 525748398 /nfs/dbraw/zinc/74/83/98/525748398.db2.gz AKAFUJFZVSYIAF-QFIPXVFZSA-N 0 3 484.691 5.297 50 0 JKAAHN COc1cccc(-n2c(SCc3cccc(F)c3)nnc2C2CCN(Cc3cccs3)CC2)c1 ZINC000012242656 525749275 /nfs/dbraw/zinc/74/92/75/525749275.db2.gz HDABBLCGEDKVEL-UHFFFAOYSA-N 0 3 494.661 6.148 50 0 JKAAHN Cc1ccc(-c2nc3nc(-c4ccccc4)oc3c(N3CCCN(CCc4ccncc4)CC3)n2)cc1 ZINC000041155318 525826936 /nfs/dbraw/zinc/82/69/36/525826936.db2.gz SMORXJJMXPDEMM-UHFFFAOYSA-N 0 3 490.611 5.410 50 0 JKAAHN CSc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(C)c3)CC2)cc1 ZINC000046055910 525993115 /nfs/dbraw/zinc/99/31/15/525993115.db2.gz HUUHXNKCQAFLDS-UHFFFAOYSA-N 0 3 497.708 6.248 50 0 JKAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cc3ccc(F)cc3nc2-c2ccccc2C)cc1 ZINC000014982362 526072641 /nfs/dbraw/zinc/07/26/41/526072641.db2.gz INDMZZSZVQYNON-UHFFFAOYSA-N 0 3 455.577 5.862 50 0 JKAAHN Cc1ccc(C(=O)N2CCCC[C@@H]2CCOc2ccc(CN(C)Cc3cccs3)cc2)cc1 ZINC000014989753 526091681 /nfs/dbraw/zinc/09/16/81/526091681.db2.gz LNQVYSINXXADOT-RUZDIDTESA-N 0 3 462.659 6.152 50 0 JKAAHN Cc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)N4CCN(C5CCCCC5)CC4)c3)C2)cc1 ZINC000033034930 526098754 /nfs/dbraw/zinc/09/87/54/526098754.db2.gz SJJNILAQDNMYDI-HHHXNRCGSA-N 0 3 473.661 5.105 50 0 JKAAHN Cc1ccc(C(=O)NC[C@@H](C)Oc2cccc(CN3CC=C(c4ccc(F)cc4)CC3)c2)s1 ZINC000012452576 526172683 /nfs/dbraw/zinc/17/26/83/526172683.db2.gz YQEOUMUPSZTUCI-LJQANCHMSA-N 0 3 464.606 5.682 50 0 JKAAHN COc1cccc(O[C@H](CCN2CCN(Cc3ccccc3)CC2)c2cccc(Cl)c2)c1 ZINC000034728549 526240449 /nfs/dbraw/zinc/24/04/49/526240449.db2.gz JFJIZZLPYQQIES-HHHXNRCGSA-N 0 3 451.010 5.677 50 0 JKAAHN COc1cccc(Oc2c(CN(C[C@@H](O)COCC(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305431 526240971 /nfs/dbraw/zinc/24/09/71/526240971.db2.gz OWFZEDLUGJSNSI-HSZRJFAPSA-N 0 3 481.637 5.132 50 0 JKAAHN COc1cccc(Oc2c(CN(C[C@H](O)COC(C)(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305452 526241471 /nfs/dbraw/zinc/24/14/71/526241471.db2.gz PASUJWBQTKVVOT-QFIPXVFZSA-N 0 3 481.637 5.274 50 0 JKAAHN O=C(NCCCc1ccccc1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046056002 526276858 /nfs/dbraw/zinc/27/68/58/526276858.db2.gz JQJDEJCOXJZEDE-UHFFFAOYSA-N 0 3 483.631 5.790 50 0 JKAAHN O=C(C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1)N1CCc2ccccc2C1 ZINC000046055562 526302538 /nfs/dbraw/zinc/30/25/38/526302538.db2.gz PRHPAPOGXCNHIB-UHFFFAOYSA-N 0 3 498.070 6.140 50 0 JKAAHN Fc1ccc(-c2nnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c3ccccc32)cc1F ZINC000012496950 526316698 /nfs/dbraw/zinc/31/66/98/526316698.db2.gz MOBSBMPWDSNVRH-UHFFFAOYSA-N 0 3 492.573 6.487 50 0 JKAAHN O=C(NCCc1ccccc1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000008602116 526422303 /nfs/dbraw/zinc/42/23/03/526422303.db2.gz QBJSECCFGHEGBF-UHFFFAOYSA-N 0 3 486.059 5.914 50 0 aggregator JKAAHN O=C(NCCc1cccs1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055551 526442486 /nfs/dbraw/zinc/44/24/86/526442486.db2.gz AGAPVCAZOPKABB-UHFFFAOYSA-N 0 3 492.088 5.975 50 0 JKAAHN c1ccc(Cn2c(SC[C@@H]3CCCO3)nnc2C2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000014956340 526479539 /nfs/dbraw/zinc/47/95/39/526479539.db2.gz FWNOYHFCTVATBB-SANMLTNESA-N 0 3 499.684 5.525 50 0 JKAAHN O=C(c1cc(C2CC2)nc2ccccc21)N(Cc1cccc(OCCN2CCCCC2)c1)C1CC1 ZINC000014957456 526603313 /nfs/dbraw/zinc/60/33/13/526603313.db2.gz DRHLDSWAZWUVFL-UHFFFAOYSA-N 0 3 469.629 5.782 50 0 JKAAHN O=C(NCc1ccc(F)cc1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055627 526670463 /nfs/dbraw/zinc/67/04/63/526670463.db2.gz YXJQTXDEVACWPF-UHFFFAOYSA-N 0 3 490.022 6.011 50 0 JKAAHN O=C(c1ccc(N2CCC(N3CCCC[C@H]3c3ccccn3)CC2)cc1)N1CCc2ccccc2C1 ZINC000014978625 526696556 /nfs/dbraw/zinc/69/65/56/526696556.db2.gz IXTPOZCRTUUVRQ-PMERELPUSA-N 0 3 480.656 5.476 50 0 JKAAHN O=C(NCc1cccc(Cl)c1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055428 526714327 /nfs/dbraw/zinc/71/43/27/526714327.db2.gz APHZRDNVBHHQKO-UHFFFAOYSA-N 0 3 472.032 5.871 50 0 JKAAHN Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1)C1CCN(Cc2cccn2-c2ccccn2)CC1 ZINC000012245291 526801024 /nfs/dbraw/zinc/80/10/24/526801024.db2.gz VVJNLSWCEUDPLH-NDEPHWFRSA-N 0 3 482.628 5.369 50 0 JKAAHN Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1)C1CCN(Cc2cccn2-c2ccccn2)CC1 ZINC000012245292 526802704 /nfs/dbraw/zinc/80/27/04/526802704.db2.gz VVJNLSWCEUDPLH-MUUNZHRXSA-N 0 3 482.628 5.369 50 0 JKAAHN O=C(c1cccs1)N1CCC[C@@H](COc2cccc(CN3CCC(Cc4ccccc4)CC3)c2)C1 ZINC000014988547 526836766 /nfs/dbraw/zinc/83/67/66/526836766.db2.gz IKUBLNZWRFQILK-HHHXNRCGSA-N 0 3 488.697 6.134 50 0 JKAAHN O=C(c1ccoc1)N1CCC[C@@H](COc2ccc(CN3CCC(c4ccccc4)CC3)cc2)C1 ZINC000014960553 526856167 /nfs/dbraw/zinc/85/61/67/526856167.db2.gz OAWDAVOESCIJSY-XMMPIXPASA-N 0 3 458.602 5.590 50 0 JKAAHN O=C(c1ccoc1)N1CCC[C@H](COc2ccc(CN3CCC(c4ccccc4)CC3)cc2)C1 ZINC000014960558 526856203 /nfs/dbraw/zinc/85/62/03/526856203.db2.gz OAWDAVOESCIJSY-DEOSSOPVSA-N 0 3 458.602 5.590 50 0 JKAAHN O=C(N[C@H]1CCCc2ccccc21)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055958 527040034 /nfs/dbraw/zinc/04/00/34/527040034.db2.gz LIYQLARCAIPHJN-PMERELPUSA-N 0 3 495.642 6.235 50 0 JKAAHN O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000016275975 527409281 /nfs/dbraw/zinc/40/92/81/527409281.db2.gz OITNWDGYPAMJCT-UHFFFAOYSA-N 0 3 489.619 5.470 50 0 JKAAHN O=C(Nc1ccccc1Cl)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055583 527415946 /nfs/dbraw/zinc/41/59/46/527415946.db2.gz JJXKHKMTNUUAOW-UHFFFAOYSA-N 0 3 492.450 6.847 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260976 527531188 /nfs/dbraw/zinc/53/11/88/527531188.db2.gz KHMOTMJIBLNHJM-UHFFFAOYSA-N 0 3 481.575 5.421 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000020522477 527531385 /nfs/dbraw/zinc/53/13/85/527531385.db2.gz UVUCEFFMTRFLDP-UHFFFAOYSA-N 0 3 456.977 5.345 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccc(F)cc1 ZINC000036307801 527537428 /nfs/dbraw/zinc/53/74/28/527537428.db2.gz YGPILDRPHYKMEJ-HSZRJFAPSA-N 0 3 481.612 5.407 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305239 527537912 /nfs/dbraw/zinc/53/79/12/527537912.db2.gz CNQYJNPVBJZLOQ-QHCPKHFHSA-N 0 3 498.067 5.921 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)Cc2ccccc2)C2CC2)c1Oc1cccc(F)c1 ZINC000036307104 527538462 /nfs/dbraw/zinc/53/84/62/527538462.db2.gz DNACOQBMVFKDBL-VWLOTQADSA-N 0 3 471.576 5.587 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)c1ccccc1)CC1CC1 ZINC000036308646 527550655 /nfs/dbraw/zinc/55/06/55/527550655.db2.gz VKARQJCVQPGBAU-NDEPHWFRSA-N 0 3 453.586 5.919 50 0 JKAAHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968206 527611293 /nfs/dbraw/zinc/61/12/93/527611293.db2.gz VZCQKQAQWUHUEV-UHFFFAOYSA-N 0 3 471.576 5.394 50 0 JKAAHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000064968022 527611694 /nfs/dbraw/zinc/61/16/94/527611694.db2.gz CQUNHRFPGRYDRR-UHFFFAOYSA-N 0 3 457.549 5.200 50 0 JKAAHN O=C(NCCC1=CCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055534 527622516 /nfs/dbraw/zinc/62/25/16/527622516.db2.gz RQXXCKYPZUCKPB-UHFFFAOYSA-N 0 3 490.091 6.562 50 0 JKAAHN O=C(NCCCN1CCc2ccccc2C1)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033264068 527674151 /nfs/dbraw/zinc/67/41/51/527674151.db2.gz AFBVXYAUEVNDGF-NDEPHWFRSA-N 0 3 496.655 5.276 50 0 JKAAHN COc1ccccc1CCNC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)CN(Cc2ccccc2Cl)C1 ZINC000096247533 537038066 /nfs/dbraw/zinc/03/80/66/537038066.db2.gz OSKHREIGMMQWBW-DQEYMECFSA-N 0 3 495.038 5.761 50 0 JKAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCC[C@H]6CCCC[C@H]65)C4=O)cc3)sc2c1 ZINC000000689517 553758894 /nfs/dbraw/zinc/75/88/94/553758894.db2.gz AAUUMHAFSZYNOZ-YSZBQJHXSA-N 0 3 459.615 5.558 50 0 JKAAHN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1)NCCN1CCCCC1 ZINC000000695355 553759944 /nfs/dbraw/zinc/75/99/44/553759944.db2.gz WJGDRKVFAYHXMM-MUUNZHRXSA-N 0 3 483.631 5.953 50 0 JKAAHN Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)CNCc3ccco3)c2c(C)c1 ZINC000000706998 553763853 /nfs/dbraw/zinc/76/38/53/553763853.db2.gz NICAUZDOJWLLJD-RUZDIDTESA-N 0 3 450.582 6.336 50 0 JKAAHN CC(C)c1ccc([C@@H]2C3=C(NCCN=C3c3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000000709382 553765401 /nfs/dbraw/zinc/76/54/01/553765401.db2.gz RZOPIMDXYGDQGE-HHHXNRCGSA-N 0 3 455.989 5.898 50 0 JKAAHN COc1cc2c(cc1OC)C1(CCOCC1)CN(CC[C@H](c1ccccc1)c1ccccc1O)C2 ZINC000000755131 553777443 /nfs/dbraw/zinc/77/74/43/553777443.db2.gz PJAQNPHFXJNCAR-XMMPIXPASA-N 0 3 473.613 5.495 50 0 JKAAHN CCOc1cc([C@@H]2NCCc3c4cc(OC)ccc4[nH]c32)ccc1OCc1ccccc1Cl ZINC000001280438 553939743 /nfs/dbraw/zinc/93/97/43/553939743.db2.gz HXGLMENZPYKXFP-SANMLTNESA-N 0 3 462.977 6.043 50 0 biogenic JKAAHN O=C(CCCN1CCN(c2ccc(F)cc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000001851142 553996056 /nfs/dbraw/zinc/99/60/56/553996056.db2.gz WFNRNNUZFPVBSM-NDEPHWFRSA-N 0 3 475.633 5.239 50 0 in-man JKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(Cn2nc(C)c(Br)c2C)c1 ZINC000002119030 554054735 /nfs/dbraw/zinc/05/47/35/554054735.db2.gz OZGLKHKJHYJQCW-XMMPIXPASA-N 0 3 495.421 5.044 50 0 biogenic JKAAHN COc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000002177981 554078162 /nfs/dbraw/zinc/07/81/62/554078162.db2.gz KNGLIKQMCWDANR-OAHLLOKOSA-N 0 3 495.244 7.194 50 0 JKAAHN CCc1ccc2nc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4C3c3cccs3)sc2c1 ZINC000002198298 554090161 /nfs/dbraw/zinc/09/01/61/554090161.db2.gz NNVLZQLWQUTVBT-OAQYLSRUSA-N 0 3 458.564 6.085 50 0 JKAAHN CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000002205055 554092618 /nfs/dbraw/zinc/09/26/18/554092618.db2.gz HWKYUNAZKOXBDZ-QFIPXVFZSA-N 0 3 472.497 5.690 50 0 JKAAHN COc1ccc2nc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000002210793 554094999 /nfs/dbraw/zinc/09/49/99/554094999.db2.gz VTHFBMUWKNOQIH-QFIPXVFZSA-N 0 3 472.497 5.609 50 0 JKAAHN CN(C)[C@@H](CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1cn(C)c2ccccc12 ZINC000002317154 554146323 /nfs/dbraw/zinc/14/63/23/554146323.db2.gz GLOVBXQEFABPIY-ZDUSSCGKSA-N 0 3 485.198 5.691 50 0 JKAAHN CN(C)[C@H](CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1c[nH]c2ccccc21 ZINC000002333968 554153007 /nfs/dbraw/zinc/15/30/07/554153007.db2.gz IPQDCFORTGTPIG-GFCCVEGCSA-N 0 3 471.171 5.680 50 0 JKAAHN CCc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000002342347 554156549 /nfs/dbraw/zinc/15/65/49/554156549.db2.gz YNSKTCXHMNKLJE-JOCHJYFZSA-N 0 3 456.498 5.854 50 0 JKAAHN Cc1nc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccccc2F)sc1C ZINC000002405963 554188536 /nfs/dbraw/zinc/18/85/36/554188536.db2.gz UMZAHMCUSFDDJL-GOSISDBHSA-N 0 3 485.334 5.518 50 0 JKAAHN O=C(c1ccc(COc2cccc(Cl)c2)o1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 ZINC000002764325 554332972 /nfs/dbraw/zinc/33/29/72/554332972.db2.gz XKFDOWPXPLWIAQ-UHFFFAOYSA-N 0 3 454.998 5.095 50 0 JKAAHN Cc1ccc(-c2nnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c3ccccc32)cc1C ZINC000003165879 554428018 /nfs/dbraw/zinc/42/80/18/554428018.db2.gz DCGZGWHTCGJDFB-UHFFFAOYSA-N 0 3 484.647 6.825 50 0 JKAAHN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc12 ZINC000003305305 554448068 /nfs/dbraw/zinc/44/80/68/554448068.db2.gz GNOFCXWWFYPKCZ-UHFFFAOYSA-N 0 3 479.049 5.502 50 0 JKAAHN CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000003781952 554470845 /nfs/dbraw/zinc/47/08/45/554470845.db2.gz MJJALKDDGIKVBE-UHFFFAOYSA-N 0 3 469.669 7.218 50 0 world JKAAHN Cc1cc(Oc2coc3cc(OC[C@@H](O)CN4CCCCC4)ccc3c2=O)cc(C)c1Cl ZINC000008763877 554664171 /nfs/dbraw/zinc/66/41/71/554664171.db2.gz GCHXUELHYMUYPT-SFHVURJKSA-N 0 3 457.954 5.081 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000008767457 554667980 /nfs/dbraw/zinc/66/79/80/554667980.db2.gz DUQNKOUEVOZOCF-MHZLTWQESA-N 0 3 469.654 6.583 50 0 JKAAHN CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCN5CCCC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000008789081 554681145 /nfs/dbraw/zinc/68/11/45/554681145.db2.gz IQWDZXKZGAIZNS-NGVCODNXSA-N 0 3 483.737 6.578 50 0 biogenic JKAAHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008812695 554694429 /nfs/dbraw/zinc/69/44/29/554694429.db2.gz DZWRGJLUOKPPIJ-HDICACEKSA-N 0 3 454.039 6.032 50 0 JKAAHN CCC1=Nc2cc(C(=O)NCCN(C)CCc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000008813155 554695358 /nfs/dbraw/zinc/69/53/58/554695358.db2.gz STQOVQPWOMWYEI-UHFFFAOYSA-N 0 3 457.643 5.895 50 0 JKAAHN O=C(Nc1ccc(F)c(Cl)c1)N(Cc1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2)CC1 ZINC000008831075 554720959 /nfs/dbraw/zinc/72/09/59/554720959.db2.gz DRBDJLWOHOJJAZ-UHFFFAOYSA-N 0 3 495.982 5.907 50 0 JKAAHN CCN(CC)CCOC(=O)c1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCCC2)cc1 ZINC000008857521 554754096 /nfs/dbraw/zinc/75/40/96/554754096.db2.gz ZXFYFTZVWIWLDQ-UHFFFAOYSA-N 0 3 490.652 5.049 50 0 JKAAHN COc1cc2nc(SCc3ccc(Cl)c(Cl)c3)n3c(nc(O)c3C(C)C)c2cc1OC ZINC000008873484 554770143 /nfs/dbraw/zinc/77/01/43/554770143.db2.gz PLWZGCUPMOGQOI-LJQANCHMSA-N 0 3 478.401 5.559 50 0 JKAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc(Br)cc3)C[C@H]21 ZINC000008914550 554807544 /nfs/dbraw/zinc/80/75/44/554807544.db2.gz IWKAZAYCZVZLFH-OAQYLSRUSA-N 0 3 470.411 5.202 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000008914840 554807926 /nfs/dbraw/zinc/80/79/26/554807926.db2.gz MSBVFUXMYIKKSU-VDKIKQQVSA-N 0 3 489.358 6.198 50 0 JKAAHN C[C@H]1CCCCN1CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000008919218 554815940 /nfs/dbraw/zinc/81/59/40/554815940.db2.gz RXKMCOTXGAOQOZ-HNNXBMFYSA-N 0 3 490.467 5.455 50 0 JKAAHN Cc1ccc(CNC(=O)N(Cc2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000009151154 554937386 /nfs/dbraw/zinc/93/73/86/554937386.db2.gz WWQQHXHNBJGWSJ-UHFFFAOYSA-N 0 3 471.601 5.100 50 0 JKAAHN O=C(NCCN(Cc1ccco1)C1CCCC1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000009152952 554941702 /nfs/dbraw/zinc/94/17/02/554941702.db2.gz METKOSQHZYVTAQ-UHFFFAOYSA-N 0 3 481.040 5.698 50 0 JKAAHN CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000009172589 554954333 /nfs/dbraw/zinc/95/43/33/554954333.db2.gz HXTCTXSRLCLTQB-OAQYLSRUSA-N 0 3 470.411 5.203 50 0 JKAAHN FC(F)(F)c1cccc(N2CCN(CCCCCCOc3cccc4ccccc43)CC2)c1 ZINC000009183500 554955822 /nfs/dbraw/zinc/95/58/22/554955822.db2.gz OJWIVBSBUIUCGW-UHFFFAOYSA-N 0 3 456.552 6.620 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000009185577 554958307 /nfs/dbraw/zinc/95/83/07/554958307.db2.gz ARTLOQKLSBNWJP-NJDAHSKKSA-N 0 3 457.288 5.184 50 0 JKAAHN Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(C(C)C)cc3s2)o1 ZINC000009187593 554960194 /nfs/dbraw/zinc/96/01/94/554960194.db2.gz FNJIBSZQRFOARX-QFIPXVFZSA-N 0 3 456.523 6.177 50 0 JKAAHN Cc1oc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)nc1COc1ccccc1 ZINC000009211857 554981699 /nfs/dbraw/zinc/98/16/99/554981699.db2.gz BENSOTGABONJSR-UHFFFAOYSA-N 0 3 481.596 5.623 50 0 JKAAHN Cc1oc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)nc1COc1ccc(C)cc1 ZINC000009211874 554981751 /nfs/dbraw/zinc/98/17/51/554981751.db2.gz YOOUQKYQTBBEIW-UHFFFAOYSA-N 0 3 495.623 5.932 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009232664 555005024 /nfs/dbraw/zinc/00/50/24/555005024.db2.gz OSMIARPOUGEAAF-IBGZPJMESA-N 0 3 481.221 5.721 50 0 JKAAHN Cc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(c1nc2ccc(F)cc2s1)C3=O ZINC000009242759 555017770 /nfs/dbraw/zinc/01/77/70/555017770.db2.gz NLEYCGPZNRMVBD-NRFANRHFSA-N 0 3 460.461 5.739 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccccc4)nn3cnc1O2 ZINC000009303646 555077280 /nfs/dbraw/zinc/07/72/80/555077280.db2.gz KRDFWRSHOXNIJA-HSZRJFAPSA-N 0 3 456.509 5.571 50 0 JKAAHN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)CNCc3ccc(Cl)cc3)cc21 ZINC000009409352 555174109 /nfs/dbraw/zinc/17/41/09/555174109.db2.gz RVFUPXKGQCCPLY-XMMPIXPASA-N 0 3 477.004 5.633 50 0 JKAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN(C)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000009433048 555202802 /nfs/dbraw/zinc/20/28/02/555202802.db2.gz NKHANABDLBUCCV-SVBPBHIXSA-N 0 3 489.685 5.323 50 0 JKAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN(C)Cc2ccccc2)[C@H]1c1cccs1 ZINC000009433045 555202812 /nfs/dbraw/zinc/20/28/12/555202812.db2.gz NKHANABDLBUCCV-KAYWLYCHSA-N 0 3 489.685 5.323 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009455893 555225949 /nfs/dbraw/zinc/22/59/49/555225949.db2.gz VQPVNPOQSLRLNL-LJQANCHMSA-N 0 3 481.221 5.721 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009460875 555228433 /nfs/dbraw/zinc/22/84/33/555228433.db2.gz UWLGEGGSZYIQSL-NJDAHSKKSA-N 0 3 473.743 5.698 50 0 JKAAHN CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000009461481 555229279 /nfs/dbraw/zinc/22/92/79/555229279.db2.gz NTWLIQCRBOJYSY-AREMUKBSSA-N 0 3 455.627 6.193 50 0 JKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000009462264 555231129 /nfs/dbraw/zinc/23/11/29/555231129.db2.gz RSEBQQDARJATKK-OAQYLSRUSA-N 0 3 474.830 5.847 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H]([C@]4(CC)CCC(CC)=CO4)[C@@H]3C2=O)cc1 ZINC000009463082 555232688 /nfs/dbraw/zinc/23/26/88/555232688.db2.gz QJZAAVNLNNRBFQ-JMDODURXSA-N 0 3 490.600 5.407 50 0 JKAAHN CCOc1cc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCCOc1ccc(F)cc1 ZINC000009468299 555247682 /nfs/dbraw/zinc/24/76/82/555247682.db2.gz IFQNEDRGEKAJOM-NRFANRHFSA-N 0 3 475.564 5.719 50 0 JKAAHN CCOc1ccc2nc(N(CCN(CC)CC)C(=O)CCCSc3ccccc3)sc2c1 ZINC000009472812 555255668 /nfs/dbraw/zinc/25/56/68/555255668.db2.gz XUVFTFQWTCDYFN-UHFFFAOYSA-N 0 3 471.692 5.942 50 0 JKAAHN C[C@@H](CNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21)N1CCC(C)CC1 ZINC000009546370 555341722 /nfs/dbraw/zinc/34/17/22/555341722.db2.gz QKMNWHRJRSEWLU-SFHVURJKSA-N 0 3 454.039 5.890 50 0 JKAAHN CCCOc1ccc([C@H]2NC[C@@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000013145651 555343190 /nfs/dbraw/zinc/34/31/90/555343190.db2.gz QVDFNNCSZWTCHY-KDYSTLNUSA-N 0 3 472.585 5.807 50 0 JKAAHN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCCCN1CCc2ccccc2C1 ZINC000009642890 555355941 /nfs/dbraw/zinc/35/59/41/555355941.db2.gz BDUKMJOIHDCHMS-UHFFFAOYSA-N 0 3 496.655 5.169 50 0 JKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3s2)cc1 ZINC000009561552 555360051 /nfs/dbraw/zinc/36/00/51/555360051.db2.gz JDCAVGRVSKELJO-UHFFFAOYSA-N 0 3 477.586 5.209 50 0 JKAAHN Cc1ccc2nc(-c3ccncc3)cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c2c1 ZINC000013321675 555376047 /nfs/dbraw/zinc/37/60/47/555376047.db2.gz GFPPEBRTJPIYHP-UHFFFAOYSA-N 0 3 466.629 5.332 50 0 JKAAHN Cc1ccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC(C)(C)C)cc1 ZINC000013347140 555377336 /nfs/dbraw/zinc/37/73/36/555377336.db2.gz GHTDSSMSIFNGTC-UHFFFAOYSA-N 0 3 452.672 5.431 50 0 JKAAHN C[C@@H](C(=O)NCCCN1CCc2ccccc2C1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369302 555391106 /nfs/dbraw/zinc/39/11/06/555391106.db2.gz NLIPPIIJYHHBQS-FQEVSTJZSA-N 0 3 473.020 5.482 50 0 JKAAHN C[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369334 555391139 /nfs/dbraw/zinc/39/11/39/555391139.db2.gz HSTGZQZOSKYWRH-IBGZPJMESA-N 0 3 451.014 5.395 50 0 JKAAHN CC[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369408 555391172 /nfs/dbraw/zinc/39/11/72/555391172.db2.gz TWJGXJQTLPZHLM-AREMUKBSSA-N 0 3 487.047 6.089 50 0 JKAAHN Cc1ccc(COc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000009587968 555399894 /nfs/dbraw/zinc/39/98/94/555399894.db2.gz MNIOJRZKMMLHET-UHFFFAOYSA-N 0 3 465.597 5.517 50 0 JKAAHN Cc1cccc(-c2nc3ccc(C(=O)NCCN4CCCCC4)cc3nc2-c2cccc(C)c2)c1 ZINC000009589509 555403040 /nfs/dbraw/zinc/40/30/40/555403040.db2.gz RNGRJXWWIOGGKF-UHFFFAOYSA-N 0 3 464.613 5.796 50 0 JKAAHN Cc1nn2c(nc(C)c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c2C)c1-c1ccc(F)cc1 ZINC000009609440 555437751 /nfs/dbraw/zinc/43/77/51/555437751.db2.gz GHZSBOMKMGHYDR-UHFFFAOYSA-N 0 3 499.634 5.174 50 0 JKAAHN COc1cccc(C(=O)Nc2ccc3nc4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)c1 ZINC000009612250 555444874 /nfs/dbraw/zinc/44/48/74/555444874.db2.gz BONVNDQZXOVVMC-UHFFFAOYSA-N 0 3 483.568 6.135 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000013513033 555484137 /nfs/dbraw/zinc/48/41/37/555484137.db2.gz QWXNRGCHBHSMDQ-NJDAHSKKSA-N 0 3 473.743 5.698 50 0 JKAAHN C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000013617550 555536963 /nfs/dbraw/zinc/53/69/63/555536963.db2.gz POFJLUIMNQZBLM-ZFGGDYGUSA-N 0 3 453.325 5.435 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000013648320 555552667 /nfs/dbraw/zinc/55/26/67/555552667.db2.gz COTZMDSNSBKJSY-DSNGMDLFSA-N 0 3 489.358 6.198 50 0 JKAAHN CCN1CCC(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2C(C)C)CC1 ZINC000009968451 555566007 /nfs/dbraw/zinc/56/60/07/555566007.db2.gz OSUVLWMYTZNWEN-UHFFFAOYSA-N 0 3 498.096 5.404 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000013748400 555607702 /nfs/dbraw/zinc/60/77/02/555607702.db2.gz LODGTGWMDUNYSX-NJDAHSKKSA-N 0 3 483.749 5.154 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000013748836 555607776 /nfs/dbraw/zinc/60/77/76/555607776.db2.gz MBCNFBVUAFGFST-XPWALMASSA-N 0 3 473.891 5.078 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000013749619 555608606 /nfs/dbraw/zinc/60/86/06/555608606.db2.gz BPYRSUOIWUFAKD-SVFBPWRDSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000013751732 555609984 /nfs/dbraw/zinc/60/99/84/555609984.db2.gz WAPOCQCSDFBCDR-SFHLNBCPSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000013757983 555611534 /nfs/dbraw/zinc/61/15/34/555611534.db2.gz TYYYZVFMEZMZRG-NJDAHSKKSA-N 0 3 457.288 5.184 50 0 JKAAHN CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000013776144 555616455 /nfs/dbraw/zinc/61/64/55/555616455.db2.gz TUOGVVHZFULDKU-ZJQURUERSA-N 0 3 471.395 5.344 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(F)cc4)o3)[C@H]2C(=O)N1c1ccccc1 ZINC000013776702 555616681 /nfs/dbraw/zinc/61/66/81/555616681.db2.gz BMXLBVHMRKTPIY-DSNGMDLFSA-N 0 3 454.457 5.137 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000013777199 555617170 /nfs/dbraw/zinc/61/71/70/555617170.db2.gz KRQCFZNUKDVABU-NJDAHSKKSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000013786537 555619165 /nfs/dbraw/zinc/61/91/65/555619165.db2.gz XAWGCHOHQDTCLG-SFHLNBCPSA-N 0 3 457.288 5.184 50 0 JKAAHN O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(F)c(F)c1 ZINC000013811166 555627194 /nfs/dbraw/zinc/62/71/94/555627194.db2.gz XFWGDLZHPZWKHE-DSNGMDLFSA-N 0 3 456.448 5.169 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(F)c3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013811166 555627198 /nfs/dbraw/zinc/62/71/98/555627198.db2.gz XFWGDLZHPZWKHE-DSNGMDLFSA-N 0 3 456.448 5.169 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(C)cc1)c1c3nc(-c4ccncc4)nn3cnc1O2 ZINC000013811697 555628768 /nfs/dbraw/zinc/62/87/68/555628768.db2.gz CCBFEXPJLRAUMO-QHCPKHFHSA-N 0 3 471.524 5.275 50 0 JKAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3C=C12 ZINC000020112183 555649211 /nfs/dbraw/zinc/64/92/11/555649211.db2.gz NBJASNUKULGOJS-QJLMVVSCSA-N 0 3 484.684 5.708 50 0 biogenic JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000013987195 555667418 /nfs/dbraw/zinc/66/74/18/555667418.db2.gz RTOUTYGTQGQPQE-UHFFFAOYSA-N 0 3 489.428 5.097 50 0 JKAAHN COc1ccc(NC(C)=O)cc1NC(=O)CN[C@H](c1ccc(C2CCCCC2)cc1)C(C)C ZINC000014141522 555706829 /nfs/dbraw/zinc/70/68/29/555706829.db2.gz OCSQXCXIMWQNIZ-MHZLTWQESA-N 0 3 451.611 5.627 50 0 JKAAHN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000014182965 555724427 /nfs/dbraw/zinc/72/44/27/555724427.db2.gz CEVYBOODYSPHQL-UHFFFAOYSA-N 0 3 485.031 6.061 50 0 JKAAHN O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000014186215 555727619 /nfs/dbraw/zinc/72/76/19/555727619.db2.gz LVSCYNINSGTEKI-UHFFFAOYSA-N 0 3 465.553 5.020 50 0 JKAAHN O=c1c2c(ncn1CCCc1ccccc1)sc1c2CC[C@H](NCc2cc(F)ccc2F)C1 ZINC000020352169 555780356 /nfs/dbraw/zinc/78/03/56/555780356.db2.gz UONFQIYLUFEQDK-FQEVSTJZSA-N 0 3 465.569 5.016 50 0 JKAAHN CC[C@H](NC(=O)Nc1cc(Cl)c(OC)cc1OC)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020532130 555799925 /nfs/dbraw/zinc/79/99/25/555799925.db2.gz NDLIUKAURBQSAF-KRWDZBQOSA-N 0 3 489.041 5.470 50 0 JKAAHN CCOC(=O)c1c(NC(=O)N2CCC[C@H](CN3CCc4ccccc4C3)C2)sc2c1CCCC2 ZINC000020532119 555800161 /nfs/dbraw/zinc/80/01/61/555800161.db2.gz BMUSBBAXQRVKBE-LJQANCHMSA-N 0 3 481.662 5.106 50 0 JKAAHN Cc1cc(C)cc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)c1 ZINC000020532152 555800442 /nfs/dbraw/zinc/80/04/42/555800442.db2.gz UEGHOKCLJJXPKG-QHCPKHFHSA-N 0 3 464.679 6.443 50 0 JKAAHN Cc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)cc1C ZINC000020532150 555800502 /nfs/dbraw/zinc/80/05/02/555800502.db2.gz JOPWXRBWGPTFKS-QHCPKHFHSA-N 0 3 464.679 6.443 50 0 JKAAHN Cc1ccccc1NC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020532159 555800534 /nfs/dbraw/zinc/80/05/34/555800534.db2.gz ALTJTHKHIUKWOT-JOCHJYFZSA-N 0 3 450.652 6.134 50 0 JKAAHN COc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)c(OC)c1 ZINC000020532172 555800537 /nfs/dbraw/zinc/80/05/37/555800537.db2.gz HPTWROSYXOLXPS-JOCHJYFZSA-N 0 3 496.677 5.843 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)Nc2cccc(C)c2)C1 ZINC000020532197 555800866 /nfs/dbraw/zinc/80/08/66/555800866.db2.gz BSALCXISIGFOLA-HSZRJFAPSA-N 0 3 464.679 6.524 50 0 JKAAHN CC(C)CC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020532180 555800884 /nfs/dbraw/zinc/80/08/84/555800884.db2.gz FSXBQUVZGIXUSM-IPGZOCRXSA-N 0 3 494.749 6.272 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)NCc2ccccc2)C1 ZINC000020532201 555800951 /nfs/dbraw/zinc/80/09/51/555800951.db2.gz AKIKVGYDLJAEFX-HSZRJFAPSA-N 0 3 464.679 5.894 50 0 JKAAHN CCOc1cccc(-c2cc(C(=O)NC3CCN(CC)CC3)c3cc(Br)ccc3n2)c1 ZINC000020562590 555813981 /nfs/dbraw/zinc/81/39/81/555813981.db2.gz NWVTVLXGKUNXKO-UHFFFAOYSA-N 0 3 482.422 5.277 50 0 JKAAHN CN(C(=O)c1ccco1)[C@@H](Cc1ccc(F)cc1F)C1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000011786929 555820570 /nfs/dbraw/zinc/82/05/70/555820570.db2.gz JQIWPYDABQICDH-VWLOTQADSA-N 0 3 480.555 5.088 50 0 JKAAHN Cc1cc(C)c(CN2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3Cc2ccccc2)cc1C ZINC000014535908 555825024 /nfs/dbraw/zinc/82/50/24/555825024.db2.gz QWBXFWLYCSEMMO-UHFFFAOYSA-N 0 3 482.628 5.006 50 0 JKAAHN COc1ccc(CN2C(=O)N(C)C3(CCN(Cc4cccc(-c5ccccc5C)c4)CC3)C2=O)cc1 ZINC000014541873 555832612 /nfs/dbraw/zinc/83/26/12/555832612.db2.gz TVFSMADDWHYASU-UHFFFAOYSA-N 0 3 483.612 5.099 50 0 JKAAHN CCOc1ccccc1CN1CCC([C@@H](Cc2ccccc2)N(CC)C(=O)C2CCOCC2)CC1 ZINC000011840656 555833540 /nfs/dbraw/zinc/83/35/40/555833540.db2.gz LRCCMMIXRMTCED-MUUNZHRXSA-N 0 3 478.677 5.184 50 0 JKAAHN COc1ccc(-c2ccc(C(=O)NC[C@@H]3CCC4(CCN(Cc5ccc(F)cc5)CC4)O3)o2)cc1 ZINC000011841349 555833850 /nfs/dbraw/zinc/83/38/50/555833850.db2.gz PREQPLRFSHWLDW-DEOSSOPVSA-N 0 3 478.564 5.038 50 0 JKAAHN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c12 ZINC000020579078 555833966 /nfs/dbraw/zinc/83/39/66/555833966.db2.gz YPSNVQPXHXFUFH-UHFFFAOYSA-N 0 3 488.035 5.394 50 0 JKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000015000192 555844708 /nfs/dbraw/zinc/84/47/08/555844708.db2.gz XRDOSFGEPXNPBQ-UHFFFAOYSA-N 0 3 460.599 5.810 50 0 JKAAHN CCOc1cc(CN2CCC([C@H](Cc3ccccc3)N(C(=O)c3ccco3)C3CC3)CC2)ccc1O ZINC000015001990 555846918 /nfs/dbraw/zinc/84/69/18/555846918.db2.gz IQKOYIDMDABMPW-SANMLTNESA-N 0 3 488.628 5.512 50 0 JKAAHN CCOc1cc(CN2CCC([C@@H](Cc3ccccc3)N(C(=O)c3ccco3)C3CC3)CC2)ccc1O ZINC000015001987 555846961 /nfs/dbraw/zinc/84/69/61/555846961.db2.gz IQKOYIDMDABMPW-AREMUKBSSA-N 0 3 488.628 5.512 50 0 JKAAHN COc1cccc(CNC2CCN(c3ccc(NC(=O)CCc4ccccc4)cc3)CC2)c1OC ZINC000015002334 555847219 /nfs/dbraw/zinc/84/72/19/555847219.db2.gz MVDDLORMUAXFEO-UHFFFAOYSA-N 0 3 473.617 5.034 50 0 JKAAHN O=C(CCCc1ccccc1)Nc1cccc(N2CCC(N3CCN(c4ccccc4O)CC3)CC2)c1 ZINC000015003827 555848926 /nfs/dbraw/zinc/84/89/26/555848926.db2.gz UBRJOGYFYRZXMC-UHFFFAOYSA-N 0 3 498.671 5.145 50 0 JKAAHN CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CCN(Cc2ccc3cccnc3c2)CC1 ZINC000011881281 555849636 /nfs/dbraw/zinc/84/96/36/555849636.db2.gz HTPNAQKIDNSIFL-MHZLTWQESA-N 0 3 469.654 5.892 50 0 JKAAHN O=C(c1cccnc1)N1CCC(Oc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000015007854 555852273 /nfs/dbraw/zinc/85/22/73/555852273.db2.gz PJXRIZHIKKLVNP-UHFFFAOYSA-N 0 3 469.629 5.220 50 0 JKAAHN CSc1ccc(CN2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)cc1 ZINC000011909412 555856286 /nfs/dbraw/zinc/85/62/86/555856286.db2.gz OFSSATNUSVMOSQ-SANMLTNESA-N 0 3 476.690 5.046 50 0 JKAAHN COc1ccc(-c2nc3cc(SC)ccc3cc2CNCc2cc(OC)cc(OC)c2)cc1 ZINC000011910553 555857956 /nfs/dbraw/zinc/85/79/56/555857956.db2.gz NTTLKLDQSLJTSA-UHFFFAOYSA-N 0 3 460.599 5.939 50 0 JKAAHN CCOc1cc(CN2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)ccc1O ZINC000011910785 555858262 /nfs/dbraw/zinc/85/82/62/555858262.db2.gz FVDANEAZESNHHT-XMMPIXPASA-N 0 3 496.648 5.587 50 0 JKAAHN Cc1ccccc1-c1ccc(CN2CCC3(C[C@@H]3C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000011912423 555861007 /nfs/dbraw/zinc/86/10/07/555861007.db2.gz QTICDIDEGYBTCG-SSEXGKCCSA-N 0 3 479.668 5.613 50 0 JKAAHN Cc1ccccc1-c1ccc(CN2CCC3(C[C@H]3C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000011912424 555861081 /nfs/dbraw/zinc/86/10/81/555861081.db2.gz QTICDIDEGYBTCG-PMERELPUSA-N 0 3 479.668 5.613 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000015021525 555863379 /nfs/dbraw/zinc/86/33/79/555863379.db2.gz BLTJNFJXLBTNNP-QHAWAJNXSA-N 0 3 491.733 5.837 50 0 JKAAHN O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000015022335 555864076 /nfs/dbraw/zinc/86/40/76/555864076.db2.gz JZNSHSOKIWJMSS-GSPCLOLRSA-N 0 3 451.353 5.055 50 0 JKAAHN CCN(CC)CC(=O)Nc1c(C)cc(Cc2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)cc1C ZINC000022033675 555864872 /nfs/dbraw/zinc/86/48/72/555864872.db2.gz HLVZDZNMDTWJTG-UHFFFAOYSA-N 0 3 480.697 5.072 50 0 JKAAHN CCN(CC)[C@@H]1CCN(C(=O)c2c(=O)cc(C)n3c2C[C@H](c2ccsc2)Sc2ccccc2-3)C1 ZINC000015071609 555871002 /nfs/dbraw/zinc/87/10/02/555871002.db2.gz NIHSEULIUQLAAT-CJFMBICVSA-N 0 3 493.698 5.153 50 0 JKAAHN COC(=O)c1sc2nc(CN3CCC4(C=Cc5ccccc54)CC3)ccc2c1NC(=O)C(C)C ZINC000011979698 555876197 /nfs/dbraw/zinc/87/61/97/555876197.db2.gz IOQSULZQVQYVJT-UHFFFAOYSA-N 0 3 475.614 5.238 50 0 JKAAHN Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CCN(Cc2cccc3nccnc23)CC1 ZINC000011982985 555877301 /nfs/dbraw/zinc/87/73/01/555877301.db2.gz KCEMGULIHRKBFC-HHHXNRCGSA-N 0 3 486.591 5.266 50 0 JKAAHN CN(Cc1ccc(OC[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1)Cc1cccc2ccccc21 ZINC000011999370 555882211 /nfs/dbraw/zinc/88/22/11/555882211.db2.gz XMSBBYJAUMXDQB-XMMPIXPASA-N 0 3 468.597 5.996 50 0 JKAAHN CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1cc3ccccc3o1)CC2 ZINC000012080152 555903085 /nfs/dbraw/zinc/90/30/85/555903085.db2.gz RCPRJTJWCGPSRO-FTJBHMTQSA-N 0 3 472.610 5.528 50 0 JKAAHN COc1ccccc1CN1CCC([C@@H](Cc2ccccc2F)N(C)C(=O)c2cccs2)CC1 ZINC000012133952 555912766 /nfs/dbraw/zinc/91/27/66/555912766.db2.gz JBBVNUBOYFOKHD-XMMPIXPASA-N 0 3 466.622 5.491 50 0 JKAAHN CCCCOc1ccc(C(=O)N(CCN(CC)CC)c2nc3c(cccc3OC)s2)cc1 ZINC000012140858 555919687 /nfs/dbraw/zinc/91/96/87/555919687.db2.gz ZVYYVNGMXLNLKN-UHFFFAOYSA-N 0 3 455.624 5.472 50 0 JKAAHN CCCCOc1ccc(C(=O)N(CCN(CC)CC)c2nc3c(ccc(C)c3C)s2)cc1 ZINC000012140893 555920163 /nfs/dbraw/zinc/92/01/63/555920163.db2.gz AYCBRQAHKJDWFU-UHFFFAOYSA-N 0 3 453.652 6.081 50 0 JKAAHN CCN(CC)CCN(C(=O)c1cc2ccccc2cc1OC)c1nc2c(ccc(C)c2C)s1 ZINC000012140897 555920172 /nfs/dbraw/zinc/92/01/72/555920172.db2.gz VDYSDDMNHGVGGI-UHFFFAOYSA-N 0 3 461.631 6.064 50 0 JKAAHN COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000012151956 555925384 /nfs/dbraw/zinc/92/53/84/555925384.db2.gz YVUACMJOPQKLOA-DEOSSOPVSA-N 0 3 482.625 5.066 50 0 JKAAHN CN(Cc1cccs1)Cc1ccc(OCC[C@H]2CCCCN2C(=O)c2cccc(Cl)c2)cc1 ZINC000012158908 555929660 /nfs/dbraw/zinc/92/96/60/555929660.db2.gz LEDBOLWAOKFVDL-XMMPIXPASA-N 0 3 483.077 6.497 50 0 JKAAHN COc1cccc(CN2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1 ZINC000012159683 555930382 /nfs/dbraw/zinc/93/03/82/555930382.db2.gz MNJJLWJGYVQOKL-VWLOTQADSA-N 0 3 468.544 5.162 50 0 JKAAHN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCN2CCCCCC2)C3=O)s1 ZINC000015673138 555931771 /nfs/dbraw/zinc/93/17/71/555931771.db2.gz FDUXVTUVWWXAHW-NDEPHWFRSA-N 0 3 498.737 5.195 50 0 JKAAHN CCOc1cc(CN2CCC3(C[C@@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)ccc1O ZINC000012166574 555933126 /nfs/dbraw/zinc/93/31/26/555933126.db2.gz QOVRSTHZLVICMN-MUUNZHRXSA-N 0 3 498.667 5.731 50 0 JKAAHN CC(=O)Nc1ccc(CN2CCC3(C[C@@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012167815 555933713 /nfs/dbraw/zinc/93/37/13/555933713.db2.gz ITICAZPBGGEBTQ-SSEXGKCCSA-N 0 3 495.667 5.586 50 0 JKAAHN O=C(Nc1ccnn1C1CCN(Cc2cc3ccccc3s2)CC1)c1ccccc1Cl ZINC000012193248 555940063 /nfs/dbraw/zinc/94/00/63/555940063.db2.gz ISDWKIOZSOALBS-UHFFFAOYSA-N 0 3 450.995 5.841 50 0 JKAAHN Cc1c(Cl)cccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2)CC1 ZINC000015679718 555946496 /nfs/dbraw/zinc/94/64/96/555946496.db2.gz SNHUNCFEIMHHCA-UHFFFAOYSA-N 0 3 492.019 6.076 50 0 JKAAHN CCOc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000015679717 555946508 /nfs/dbraw/zinc/94/65/08/555946508.db2.gz KTUXJZPCEGWFHV-UHFFFAOYSA-N 0 3 487.600 5.513 50 0 JKAAHN CCn1c2ccccc2c2cc(CN3CCC4(C[C@@H]4C(=O)NCCCc4ccncc4)CC3)ccc21 ZINC000012247836 555947002 /nfs/dbraw/zinc/94/70/02/555947002.db2.gz GGYFFENKVZJFMT-HHHXNRCGSA-N 0 3 480.656 5.561 50 0 JKAAHN Cc1cccc(-c2nc3cc4c(cc3cc2CN(CCN(C)C)C(=O)c2ccoc2)CCC4)c1 ZINC000012453711 555981243 /nfs/dbraw/zinc/98/12/43/555981243.db2.gz ARDCJBNTZQROMR-UHFFFAOYSA-N 0 3 453.586 5.496 50 0 JKAAHN Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2cccc4ncccc24)CC3)c1 ZINC000023128416 556017626 /nfs/dbraw/zinc/01/76/26/556017626.db2.gz SVAKAHIUZMOVOD-MHZLTWQESA-N 0 3 496.659 5.019 50 0 JKAAHN Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CCN(Cc2cccc4ncccc24)CC3)c1 ZINC000023128415 556017719 /nfs/dbraw/zinc/01/77/19/556017719.db2.gz SVAKAHIUZMOVOD-HHHXNRCGSA-N 0 3 496.659 5.019 50 0 JKAAHN Cc1cc(N2CCN(C3CCCCC3)CC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000015839972 556023145 /nfs/dbraw/zinc/02/31/45/556023145.db2.gz FKXGTDNWFHTWMR-UHFFFAOYSA-N 0 3 461.507 5.317 50 0 JKAAHN COc1cccc([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCC(C)CC2)c1 ZINC000015859379 556029686 /nfs/dbraw/zinc/02/96/86/556029686.db2.gz AWEKUZGVQRYWDV-RUZDIDTESA-N 0 3 460.599 6.577 50 0 JKAAHN COc1cccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCC(C)CC2)c1 ZINC000015859380 556029726 /nfs/dbraw/zinc/02/97/26/556029726.db2.gz AWEKUZGVQRYWDV-VWLOTQADSA-N 0 3 460.599 6.577 50 0 JKAAHN Cc1[nH]c2ccc(NC(=O)c3cccc(Cl)c3)cc2c1[C@H](c1ccccn1)N1CCCCC1 ZINC000015859773 556031111 /nfs/dbraw/zinc/03/11/11/556031111.db2.gz CDSSWOABXFWFJO-SANMLTNESA-N 0 3 458.993 6.352 50 0 JKAAHN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3cccc(CN4CCCC4)c3)cc2s1 ZINC000015861858 556034140 /nfs/dbraw/zinc/03/41/40/556034140.db2.gz WUWKDNYEOHMVJZ-UHFFFAOYSA-N 0 3 450.608 5.202 50 0 JKAAHN Cc1cc(F)ccc1NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000015865836 556042492 /nfs/dbraw/zinc/04/24/92/556042492.db2.gz DZMQTZMHHRDKRC-UHFFFAOYSA-N 0 3 490.022 6.641 50 0 JKAAHN C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000015865859 556042553 /nfs/dbraw/zinc/04/25/53/556042553.db2.gz ABNCJQRCOWKREZ-XMMPIXPASA-N 0 3 497.658 6.178 50 0 JKAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](NC1CCCCCCC1)c1ccccc1)C[C@H](C)CC2 ZINC000012565750 556063259 /nfs/dbraw/zinc/06/32/59/556063259.db2.gz KVBUMQBUIHGSJX-CLOONOSVSA-N 0 3 482.690 6.432 50 0 JKAAHN O=C(c1ccc(OCCN2CCCCC2)cc1)[C@H]1c2ccc(O)cc2S[C@@H]1c1ccc(O)cc1 ZINC000015919388 556067002 /nfs/dbraw/zinc/06/70/02/556067002.db2.gz IKZMTNSYXDOFJH-IXCJQBJRSA-N 0 3 475.610 5.776 50 0 in-vivo JKAAHN CCOc1ccc(NC(=O)c2c(NC(=O)CNCCc3ccccc3)sc3c2CC[C@@H](C)C3)cc1 ZINC000015946846 556084052 /nfs/dbraw/zinc/08/40/52/556084052.db2.gz CYPBRBXQQAKYGG-LJQANCHMSA-N 0 3 491.657 5.295 50 0 JKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000012614682 556091389 /nfs/dbraw/zinc/09/13/89/556091389.db2.gz UKENGNMTXGKIDG-JFGKPDLASA-N 0 3 460.980 6.163 50 0 JKAAHN CC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012659068 556100142 /nfs/dbraw/zinc/10/01/42/556100142.db2.gz GFSADSWYLWESJW-VSLFSIFHSA-N 0 3 453.667 5.862 50 0 biogenic JKAAHN O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000012691149 556102054 /nfs/dbraw/zinc/10/20/54/556102054.db2.gz NCSBOEMRYSLRSY-UHFFFAOYSA-N 0 3 454.401 5.497 50 0 JKAAHN O=C(Nc1cc(Cl)ccc1C(=O)NC1CCN(Cc2ccccc2)CC1)c1cccs1 ZINC000012781134 556111635 /nfs/dbraw/zinc/11/16/35/556111635.db2.gz ZBVIQWZAPWJUCP-UHFFFAOYSA-N 0 3 453.995 5.048 50 0 JKAAHN CC[C@@H](NCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccc(Br)cc1 ZINC000012990571 556183858 /nfs/dbraw/zinc/18/38/58/556183858.db2.gz HNTKHPPXCGCNDF-OAQYLSRUSA-N 0 3 496.405 5.389 50 0 JKAAHN c1ccc(CN2CCN(c3nc(-c4ccc(Oc5ccccc5)cc4)nc4ccccc43)CC2)cc1 ZINC000025160240 556199152 /nfs/dbraw/zinc/19/91/52/556199152.db2.gz LILAPSSFKVGFOS-UHFFFAOYSA-N 0 3 472.592 6.411 50 0 JKAAHN COc1cccc([C@H]2CN[C@H](c3ccc(C(F)(F)F)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025461676 556217070 /nfs/dbraw/zinc/21/70/70/556217070.db2.gz LYEMGMUNUMROOV-AUSIDOKSSA-N 0 3 452.476 6.028 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(F)cc3)=NN12 ZINC000025578484 556224341 /nfs/dbraw/zinc/22/43/41/556224341.db2.gz HCPSFARKPCRFOB-NRFANRHFSA-N 0 3 458.375 5.334 50 0 JKAAHN CCCN1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000025578388 556224367 /nfs/dbraw/zinc/22/43/67/556224367.db2.gz LTFOHLYEYYOTAE-QFIPXVFZSA-N 0 3 460.405 5.748 50 0 JKAAHN Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)C2ON1c1ccccc1 ZINC000018008384 556275680 /nfs/dbraw/zinc/27/56/80/556275680.db2.gz JKWILGWXNXPJPA-VSKRKVRLSA-N 0 3 452.432 5.065 50 0 JKAAHN CCOc1ccc([C@@H](NCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C(C)C)cc1OCC ZINC000027380385 556277703 /nfs/dbraw/zinc/27/77/03/556277703.db2.gz JPYFCWLMWPFDIH-SANMLTNESA-N 0 3 464.610 5.212 50 0 JKAAHN COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)C2ON1c1ccccc1 ZINC000018044420 556279465 /nfs/dbraw/zinc/27/94/65/556279465.db2.gz XGKXKPRQITVARF-SJBKTWHCSA-N 0 3 469.324 5.053 50 0 JKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)C3ON2c2ccccc2)ccc1O ZINC000018084614 556285465 /nfs/dbraw/zinc/28/54/65/556285465.db2.gz LBUYNAOGDHTSOT-XJUOHMSHSA-N 0 3 499.350 5.149 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000018096039 556286861 /nfs/dbraw/zinc/28/68/61/556286861.db2.gz MSBVFUXMYIKKSU-GIFXNVAJSA-N 0 3 489.358 6.198 50 0 JKAAHN COc1cc(CNCCNc2ccnc3cc(Cl)ccc32)ccc1OCc1ccc(Cl)nc1 ZINC000018149300 556294433 /nfs/dbraw/zinc/29/44/33/556294433.db2.gz YAOQKPXTHXUVJA-UHFFFAOYSA-N 0 3 483.399 5.726 50 0 JKAAHN CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1ccccc1C(F)(F)F ZINC000018173214 556298105 /nfs/dbraw/zinc/29/81/05/556298105.db2.gz OSGOFVVAQHMQEZ-UHFFFAOYSA-N 0 3 457.492 6.078 50 0 JKAAHN CC1CCN([C@@H](CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c2cccs2)CC1 ZINC000027575189 556299482 /nfs/dbraw/zinc/29/94/82/556299482.db2.gz OBLHZBLAIZOPJD-IBGZPJMESA-N 0 3 459.562 5.203 50 0 JKAAHN COc1ccccc1-c1cnn2c1nc(C)cc2N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027586290 556300987 /nfs/dbraw/zinc/30/09/87/556300987.db2.gz WJSDIUOIGVYYHO-UHFFFAOYSA-N 0 3 489.623 5.625 50 0 JKAAHN Cc1c2ccc(Br)cc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028290342 556328304 /nfs/dbraw/zinc/32/83/04/556328304.db2.gz YUYDHLUZISRMDR-HXUWFJFHSA-N 0 3 457.412 5.834 50 0 JKAAHN CCN(CC)[C@H](CNC(=O)c1nc(SC)ncc1Br)c1ccc(C(C)(C)C)cc1 ZINC000028290885 556328389 /nfs/dbraw/zinc/32/83/89/556328389.db2.gz AISQWNULFQMEBI-GOSISDBHSA-N 0 3 479.488 5.071 50 0 JKAAHN N=C1NC2=C(CCCC2=Cc2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)S1 ZINC000028293840 556329575 /nfs/dbraw/zinc/32/95/75/556329575.db2.gz AMMITHZBEDSBIV-IURSYISVSA-N 0 3 490.264 6.836 50 0 JKAAHN CC(=O)N1CCc2cc(C(=O)[C@H](C)NC[C@@H](c3c[nH]c4ccccc43)c3ccccc3)ccc21 ZINC000028654322 556339087 /nfs/dbraw/zinc/33/90/87/556339087.db2.gz WRLFNFFZUCMLKI-UQBPGWFLSA-N 0 3 451.570 5.070 50 0 JKAAHN CC(=O)N1CCc2cc(C(=O)[C@@H](C)NC[C@@H](c3c[nH]c4ccccc43)c3ccccc3)ccc21 ZINC000028654316 556339118 /nfs/dbraw/zinc/33/91/18/556339118.db2.gz WRLFNFFZUCMLKI-KBMIEXCESA-N 0 3 451.570 5.070 50 0 JKAAHN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)NC[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000028804050 556341497 /nfs/dbraw/zinc/34/14/97/556341497.db2.gz KSTAYNRDCSOSJB-RLWLMLJZSA-N 0 3 491.639 5.934 50 0 JKAAHN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)NC1CCCCCCC1)CN(Cc1ccccc1)CC2 ZINC000013131539 556357803 /nfs/dbraw/zinc/35/78/03/556357803.db2.gz HXXWFYNMBWXYOM-FQEVSTJZSA-N 0 3 497.705 5.513 50 0 JKAAHN O=C(Nc1ccc(F)cc1)[C@H](NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1 ZINC000013131755 556358146 /nfs/dbraw/zinc/35/81/46/556358146.db2.gz UZTSBDMMRJSSJV-GGXMVOPNSA-N 0 3 463.556 6.409 50 0 JKAAHN Cc1ccc2ccccc2c1CN1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000019682045 556359858 /nfs/dbraw/zinc/35/98/58/556359858.db2.gz BVUHGPCMPLVDBY-UHFFFAOYSA-N 0 3 450.611 6.142 50 0 JKAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019770618 556368054 /nfs/dbraw/zinc/36/80/54/556368054.db2.gz ZKYOLXTWDQZHCY-HHHXNRCGSA-N 0 3 475.636 5.563 50 0 JKAAHN COc1cc2c(cc1CN(CCc1ccccc1)Cc1ccccc1)oc(C)c2-c1ccccc1 ZINC000019771254 556368390 /nfs/dbraw/zinc/36/83/90/556368390.db2.gz PPYJMEOADMBNQP-UHFFFAOYSA-N 0 3 461.605 7.662 50 0 JKAAHN O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000019770907 556368417 /nfs/dbraw/zinc/36/84/17/556368417.db2.gz WDYPLTSTWNHYKB-OAQYLSRUSA-N 0 3 488.846 5.938 50 0 JKAAHN c1ccc(C(c2ccccc2)N2CCN(CCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000019829441 556397380 /nfs/dbraw/zinc/39/73/80/556397380.db2.gz VRMNMGFGAGTQJW-UHFFFAOYSA-N 0 3 459.637 6.592 50 0 JKAAHN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OCc2ccccc2)cc1)N(CCCN(C)C)C3=O ZINC000032593442 556447629 /nfs/dbraw/zinc/44/76/29/556447629.db2.gz ZLKJKJYZWRMULG-HHHXNRCGSA-N 0 3 482.580 5.177 50 0 JKAAHN CCCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC ZINC000032622850 556452716 /nfs/dbraw/zinc/45/27/16/556452716.db2.gz MPZIRYQCEPSEAC-DEOSSOPVSA-N 0 3 499.007 5.131 50 0 JKAAHN CCCCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC ZINC000032622851 556452803 /nfs/dbraw/zinc/45/28/03/556452803.db2.gz MPZIRYQCEPSEAC-XMMPIXPASA-N 0 3 499.007 5.131 50 0 JKAAHN CCN1CCN(Cc2ccc(NC(=O)c3ccc(SCc4csc(C)n4)cc3)cc2)CC1 ZINC000032921824 556541394 /nfs/dbraw/zinc/54/13/94/556541394.db2.gz JSCWXAUTQVOFCW-UHFFFAOYSA-N 0 3 466.676 5.134 50 0 JKAAHN CC[C@@H](NC(=O)Nc1cc(Cl)ccc1OC)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000008590209 562942591 /nfs/dbraw/zinc/94/25/91/562942591.db2.gz BSTLHZQINILQCA-QGZVFWFLSA-N 0 3 459.015 5.462 50 0 JKAAHN COc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000012218712 562959382 /nfs/dbraw/zinc/95/93/82/562959382.db2.gz GQLBCZVIMGNMKL-UHFFFAOYSA-N 0 3 493.611 5.552 50 0 JKAAHN CCCOc1ccc(C(=O)[C@H](CC[C@H](CN(C)C)C(=O)c2ccc(OCCC)cc2)CN(C)C)cc1 ZINC000006500707 569589011 /nfs/dbraw/zinc/58/90/11/569589011.db2.gz LWQLTAXHAYVLRG-CLJLJLNGSA-N 0 3 496.692 5.466 50 0 JKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000055535577 569592205 /nfs/dbraw/zinc/59/22/05/569592205.db2.gz GQJGREQRVWSPOZ-UHFFFAOYSA-N 0 3 477.608 5.840 50 0 JKAAHN COc1c(Cl)cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1Cl ZINC000055529449 569592215 /nfs/dbraw/zinc/59/22/15/569592215.db2.gz KYGWSPXQCBJDRM-UHFFFAOYSA-N 0 3 470.400 5.577 50 0 JKAAHN Cc1ccc(C2=C(Cl)/C(=C\CN3CCCCC3)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000057063756 569594300 /nfs/dbraw/zinc/59/43/00/569594300.db2.gz XQSOUHWKXMZLIJ-ASZNLBCTSA-N 0 3 474.019 7.678 50 0 JKAAHN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057254354 569595012 /nfs/dbraw/zinc/59/50/12/569595012.db2.gz GWHUNAWDPKXTPT-UHFFFAOYSA-N 0 3 483.656 6.074 50 0 JKAAHN O=C(Nc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1)c1ccco1 ZINC000057270838 569595269 /nfs/dbraw/zinc/59/52/69/569595269.db2.gz JRCWAGXNTSBVOL-UHFFFAOYSA-N 0 3 480.568 5.106 50 0 JKAAHN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NCCN3CCC(C)CC3)cc21 ZINC000032986581 569608873 /nfs/dbraw/zinc/60/88/73/569608873.db2.gz GAKWWKQVKZCRHF-UHFFFAOYSA-N 0 3 451.998 5.416 50 0 JKAAHN Cc1cccc(-c2ccc(Nc3cccc(C(=O)NCCCN(C)Cc4ccccc4)c3)nn2)c1 ZINC000032996940 569610845 /nfs/dbraw/zinc/61/08/45/569610845.db2.gz ANSKGKWUBKAJTL-UHFFFAOYSA-N 0 3 465.601 5.448 50 0 JKAAHN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000062731517 569614613 /nfs/dbraw/zinc/61/46/13/569614613.db2.gz UWVHVPMPBGDYEI-UHFFFAOYSA-N 0 3 496.611 5.445 50 0 JKAAHN Cc1cc(CSc2ncccc2C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)no1 ZINC000062734723 569614621 /nfs/dbraw/zinc/61/46/21/569614621.db2.gz NFCCXRKFEVATAH-UHFFFAOYSA-N 0 3 499.640 5.245 50 0 JKAAHN Cc1c(C[NH2+]CCCN(Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000063666794 569615876 /nfs/dbraw/zinc/61/58/76/569615876.db2.gz PUXMOZDMXYMRQY-UHFFFAOYSA-N 0 3 482.068 5.895 50 0 JKAAHN CCN(CCNC(=O)c1cccc(Nc2cc(-c3cccc(C)c3)ncn2)c1)Cc1ccccc1 ZINC000033010477 569616873 /nfs/dbraw/zinc/61/68/73/569616873.db2.gz SISPZKLNTNEWBW-UHFFFAOYSA-N 0 3 465.601 5.448 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000064606039 569622769 /nfs/dbraw/zinc/62/27/69/569622769.db2.gz UQLWPICMZQKMSU-UHFFFAOYSA-N 0 3 481.575 5.421 50 0 JKAAHN Cc1ccc(-c2cnc(Nc3cccc(C(=O)NC4CCN(Cc5ccccc5)CC4)c3)nc2)cc1 ZINC000064605966 569622842 /nfs/dbraw/zinc/62/28/42/569622842.db2.gz LSNKKVSYUNNQPG-UHFFFAOYSA-N 0 3 477.612 5.590 50 0 JKAAHN Cc1cccc(-c2cnc(Nc3cccc(C(=O)NC4CCN(Cc5ccccc5)CC4)c3)nc2)c1 ZINC000064605776 569622854 /nfs/dbraw/zinc/62/28/54/569622854.db2.gz NGTPLZGNDKISIX-UHFFFAOYSA-N 0 3 477.612 5.590 50 0 JKAAHN Fc1ccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC2CCCC2)cc1 ZINC000064746095 569625161 /nfs/dbraw/zinc/62/51/61/569625161.db2.gz NCINYRMVMYDPMD-UHFFFAOYSA-N 0 3 468.646 5.406 50 0 JKAAHN Cc1ccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC2CCCCC2)cc1 ZINC000064746108 569625262 /nfs/dbraw/zinc/62/52/62/569625262.db2.gz MDTQTTXGAUTKFZ-UHFFFAOYSA-N 0 3 478.710 5.966 50 0 JKAAHN O=C(Cn1c(-c2cccs2)cc2ccccc21)NCCN1CCC(Cc2ccccc2)CC1 ZINC000064816493 569633628 /nfs/dbraw/zinc/63/36/28/569633628.db2.gz VYHWKRDLYBYXKL-UHFFFAOYSA-N 0 3 457.643 5.441 50 0 JKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033774127 569634265 /nfs/dbraw/zinc/63/42/65/569634265.db2.gz IKEPIUNMNPFVMF-RDGATRHJSA-N 0 3 469.610 5.485 50 0 JKAAHN COc1ccccc1OCCN(Cc1ccccc1)C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000034250789 569639849 /nfs/dbraw/zinc/63/98/49/569639849.db2.gz FFZGDNBZNMTOCK-DEOSSOPVSA-N 0 3 496.607 5.651 50 0 in-vitro JKAAHN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669608 569640686 /nfs/dbraw/zinc/64/06/86/569640686.db2.gz YNHMAMILAZCHDB-RDGATRHJSA-N 0 3 470.510 6.114 50 0 JKAAHN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1)CC2)C(=O)NCc1ccncc1 ZINC000034671579 569640742 /nfs/dbraw/zinc/64/07/42/569640742.db2.gz POXGBABHUZQVAD-JSOSNVBQSA-N 0 3 491.635 5.703 50 0 JKAAHN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1)CC2)C(=O)NCc1ccncc1 ZINC000034671584 569640820 /nfs/dbraw/zinc/64/08/20/569640820.db2.gz POXGBABHUZQVAD-IOWSJCHKSA-N 0 3 491.635 5.703 50 0 JKAAHN COc1ccc(CCNC(=O)[C@H]2CC[C@H](c3ccccc3)N(Cc3cccc(OC)c3)C2)cc1 ZINC000034669890 569640838 /nfs/dbraw/zinc/64/08/38/569640838.db2.gz QLGTWQMVYIQEOU-LBNVMWSVSA-N 0 3 458.602 5.016 50 0 JKAAHN Cc1cccc(CN2CCc3ccc(O[C@@H](C)C(=O)NCc4ccccc4)cc3[C@H]2c2ccccc2)c1 ZINC000034671801 569640910 /nfs/dbraw/zinc/64/09/10/569640910.db2.gz DREKGJYPYNMQQH-ZOYWYXQUSA-N 0 3 490.647 6.226 50 0 JKAAHN 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Cc1cccc(CN(C(=O)Nc2ccc(F)cc2F)C2CCN(Cc3ccccc3)CC2)n1 ZINC000035686853 569706867 /nfs/dbraw/zinc/70/68/67/569706867.db2.gz ZGIUHJSZTZVNBC-UHFFFAOYSA-N 0 3 450.533 5.367 50 0 JKAAHN CN(CCCNC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1)Cc1ccccc1 ZINC000085649853 569712369 /nfs/dbraw/zinc/71/23/69/569712369.db2.gz LWICRMAPEDVSPY-UHFFFAOYSA-N 0 3 451.574 5.139 50 0 JKAAHN Cc1cc(Nc2nc(C(=O)NCCN3CCCC[C@H]3C)cc3occc32)ccc1Br ZINC000085651289 569713052 /nfs/dbraw/zinc/71/30/52/569713052.db2.gz MVWOFBUVMFRLPP-MRXNPFEDSA-N 0 3 471.399 5.247 50 0 JKAAHN CN(C)c1ccc(C2=NO[C@@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)c3cccs3)C2)cc1 ZINC000035835125 569713302 /nfs/dbraw/zinc/71/33/02/569713302.db2.gz KRNLIRAPRPIFPC-OAQYLSRUSA-N 0 3 487.547 5.669 50 0 JKAAHN O[C@H](COCc1ccco1)CN(Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035840578 569713757 /nfs/dbraw/zinc/71/37/57/569713757.db2.gz HHWMKTBUYBHDNS-SANMLTNESA-N 0 3 454.586 5.229 50 0 JKAAHN Cc1ccccc1Cn1cccc1CN(C[C@@H](O)COCc1ccccc1)CC1CCCCC1 ZINC000035840789 569713763 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CCCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036313936 569761659 /nfs/dbraw/zinc/76/16/59/569761659.db2.gz MBZGZFSEGBGQSX-JOCHJYFZSA-N 0 3 451.611 5.651 50 0 JKAAHN CCCCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313960 569761698 /nfs/dbraw/zinc/76/16/98/569761698.db2.gz AVRSNNZNMGPOPT-QHCPKHFHSA-N 0 3 481.637 5.278 50 0 JKAAHN CCCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036313935 569761701 /nfs/dbraw/zinc/76/17/01/569761701.db2.gz MBZGZFSEGBGQSX-QFIPXVFZSA-N 0 3 451.611 5.651 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COCC(C)C ZINC000036316146 569762083 /nfs/dbraw/zinc/76/20/83/569762083.db2.gz GXIZKGQKSGZNPC-QFIPXVFZSA-N 0 3 487.591 5.403 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)C ZINC000036316215 569762266 /nfs/dbraw/zinc/76/22/66/569762266.db2.gz KQYJAQZLNOMSBI-GMAHTHKFSA-N 0 3 451.611 5.266 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COCC(C)C ZINC000036316216 569762291 /nfs/dbraw/zinc/76/22/91/569762291.db2.gz NSVUJGQHXJDCSG-VWNXMTODSA-N 0 3 465.638 5.513 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COCC(C)C ZINC000036316217 569762368 /nfs/dbraw/zinc/76/23/68/569762368.db2.gz NSVUJGQHXJDCSG-UPVQGACJSA-N 0 3 465.638 5.513 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000036342012 569765038 /nfs/dbraw/zinc/76/50/38/569765038.db2.gz CIPQFWXPVBYLNG-OFNKIYASSA-N 0 3 483.628 5.889 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)C ZINC000036342008 569765044 /nfs/dbraw/zinc/76/50/44/569765044.db2.gz HZOWYFLPMBRRRR-OFNKIYASSA-N 0 3 469.601 5.499 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000036342013 569765047 /nfs/dbraw/zinc/76/50/47/569765047.db2.gz CIPQFWXPVBYLNG-REWPJTCUSA-N 0 3 483.628 5.889 50 0 JKAAHN COc1cccc(Oc2c(CN(CC(C)C)C[C@@H](O)COC(C)C)c(C)nn2-c2ccccc2)c1 ZINC000036341961 569765065 /nfs/dbraw/zinc/76/50/65/569765065.db2.gz LIZDFQPBXAJDLF-XMMPIXPASA-N 0 3 481.637 5.226 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036341983 569765092 /nfs/dbraw/zinc/76/50/92/569765092.db2.gz DHSMAQLGFKJTPZ-URXFXBBRSA-N 0 3 481.637 5.368 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036341986 569765098 /nfs/dbraw/zinc/76/50/98/569765098.db2.gz BSGUTWPMMGAERR-QPPBQGQZSA-N 0 3 495.664 5.758 50 0 JKAAHN CCCCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341959 569765150 /nfs/dbraw/zinc/76/51/50/569765150.db2.gz IHKRJLAVVOSWHV-VWLOTQADSA-N 0 3 495.664 5.617 50 0 JKAAHN CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000100577961 569765167 /nfs/dbraw/zinc/76/51/67/569765167.db2.gz FPAWZWCFCCVLGZ-VSKRKVRLSA-N 0 3 450.947 5.113 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(CC(C)C)C[C@@H](O)COCC(C)C ZINC000036342025 569765246 /nfs/dbraw/zinc/76/52/46/569765246.db2.gz DZHVBYAHTPHHFH-RUZDIDTESA-N 0 3 483.628 5.604 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@H](C)CC ZINC000036342080 569765349 /nfs/dbraw/zinc/76/53/49/569765349.db2.gz LEPSVFLGUWXHOD-XXBNENTESA-N 0 3 455.574 5.110 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036342030 569765373 /nfs/dbraw/zinc/76/53/73/569765373.db2.gz DQXFHNOOOXGOSE-DEOSSOPVSA-N 0 3 483.628 5.746 50 0 JKAAHN CCOc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(C)C2CCCCC2)cc1 ZINC000036344021 569766737 /nfs/dbraw/zinc/76/67/37/569766737.db2.gz MUQQBMANKATZEH-RUZDIDTESA-N 0 3 454.014 5.681 50 0 JKAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1 ZINC000100722311 569767927 /nfs/dbraw/zinc/76/79/27/569767927.db2.gz GXUHEPJLCPFTAK-YPAWHYETSA-N 0 3 469.324 5.053 50 0 JKAAHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000100722295 569767977 /nfs/dbraw/zinc/76/79/77/569767977.db2.gz LFKSTPLPVXVNTB-QHAWAJNXSA-N 0 3 473.743 5.698 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036346087 569768820 /nfs/dbraw/zinc/76/88/20/569768820.db2.gz KBCFPAJDYUAWKF-AREMUKBSSA-N 0 3 485.603 5.928 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036346186 569769228 /nfs/dbraw/zinc/76/92/28/569769228.db2.gz PDZJRYUJRMHQMZ-DHLKQENFSA-N 0 3 479.665 6.058 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036346185 569769355 /nfs/dbraw/zinc/76/93/55/569769355.db2.gz PDZJRYUJRMHQMZ-RDGATRHJSA-N 0 3 479.665 6.058 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036346316 569769492 /nfs/dbraw/zinc/76/94/92/569769492.db2.gz WXIPNPZQGLYDIU-RDPSFJRHSA-N 0 3 469.601 5.499 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@@H](O)c1ccccc1)CC1CC1 ZINC000036346418 569769623 /nfs/dbraw/zinc/76/96/23/569769623.db2.gz LTUDNZDRTIHKRI-MUUNZHRXSA-N 0 3 471.576 6.058 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036346424 569769659 /nfs/dbraw/zinc/76/96/59/569769659.db2.gz UJIXXXCGERBUAW-MHZLTWQESA-N 0 3 485.603 5.928 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346554 569770122 /nfs/dbraw/zinc/77/01/22/569770122.db2.gz GCPXNRQUHWFIMD-RUZDIDTESA-N 0 3 461.650 6.299 50 0 JKAAHN Cc1ccc(Oc2c(CN(CC(C)C)C[C@@H](O)COC(C)(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346784 569770790 /nfs/dbraw/zinc/77/07/90/569770790.db2.gz DUJGDRFKZCMTCJ-XMMPIXPASA-N 0 3 479.665 5.822 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346791 569770811 /nfs/dbraw/zinc/77/08/11/569770811.db2.gz DGBDPZRSGVKIJF-HSZRJFAPSA-N 0 3 451.611 5.043 50 0 JKAAHN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036346750 569770916 /nfs/dbraw/zinc/77/09/16/569770916.db2.gz BUZXDEYPNGORLL-SANMLTNESA-N 0 3 491.582 6.067 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3ccccc3F)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037276290 569782161 /nfs/dbraw/zinc/78/21/61/569782161.db2.gz OYTMRPUISWKNIR-LBNVMWSVSA-N 0 3 492.610 5.987 50 0 JKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101099371 569782607 /nfs/dbraw/zinc/78/26/07/569782607.db2.gz HRXCMALIDFAQLU-CYXNTTPDSA-N 0 3 490.531 5.064 50 0 JKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000101127258 569783820 /nfs/dbraw/zinc/78/38/20/569783820.db2.gz OTRMFXSWOBENJI-BDTNDASRSA-N 0 3 486.877 5.718 50 0 JKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000101132383 569784065 /nfs/dbraw/zinc/78/40/65/569784065.db2.gz PCHRNFDRVIKOHO-VSKRKVRLSA-N 0 3 453.325 5.353 50 0 JKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000101157232 569784938 /nfs/dbraw/zinc/78/49/38/569784938.db2.gz ZJLRIAFKGZDUFS-SMIHKQSGSA-N 0 3 492.362 5.834 50 0 JKAAHN CCc1cccc2c([C@@H](CC(=O)NCCN3CCCC3)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000037380632 569784968 /nfs/dbraw/zinc/78/49/68/569784968.db2.gz DDRKIFZHWSNKGJ-FQEVSTJZSA-N 0 3 458.433 5.771 50 0 JKAAHN CCc1cccc2c([C@H](CC(=O)NCCN3CCCC3)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000037380637 569785006 /nfs/dbraw/zinc/78/50/06/569785006.db2.gz DDRKIFZHWSNKGJ-HXUWFJFHSA-N 0 3 458.433 5.771 50 0 JKAAHN CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000101190052 569786578 /nfs/dbraw/zinc/78/65/78/569786578.db2.gz FPAWZWCFCCVLGZ-YPAWHYETSA-N 0 3 450.947 5.113 50 0 JKAAHN CC[C@H](C(=O)NCCN(C)C)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1 ZINC000037438852 569790455 /nfs/dbraw/zinc/79/04/55/569790455.db2.gz ADNGCNVJONFIKC-OAQYLSRUSA-N 0 3 461.006 5.197 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037523990 569792901 /nfs/dbraw/zinc/79/29/01/569792901.db2.gz LWLHMMLMCJRQTI-ISKFKSNPSA-N 0 3 458.593 5.330 50 0 JKAAHN CC(C)(C)c1ccc(Cn2c(C(=O)NCCN3CCCC3)cc3sc(Br)cc32)cc1 ZINC000037587596 569796772 /nfs/dbraw/zinc/79/67/72/569796772.db2.gz HFEGMORAWJMRTQ-UHFFFAOYSA-N 0 3 488.495 5.637 50 0 JKAAHN Clc1nc2c(cnn2-c2ccccc2)c(N2CCN(C3c4ccccc4-c4ccccc43)CC2)n1 ZINC000038201247 569800783 /nfs/dbraw/zinc/80/07/83/569800783.db2.gz UZVCKFSOFKCOHE-UHFFFAOYSA-N 0 3 478.987 5.361 50 0 JKAAHN COc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCC(C)CC2)cc1 ZINC000038546309 569802898 /nfs/dbraw/zinc/80/28/98/569802898.db2.gz QWYPWLQBFDKGIF-VWLOTQADSA-N 0 3 464.631 6.302 50 0 JKAAHN COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1cccs1)N1CCC(C)CC1 ZINC000038546707 569803565 /nfs/dbraw/zinc/80/35/65/569803565.db2.gz JLUSXTPWOUNHGW-HSZRJFAPSA-N 0 3 454.661 6.509 50 0 JKAAHN CC1(C)O[C@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)CN1C(=O)CSC1=NCCN1 ZINC000039210334 569809224 /nfs/dbraw/zinc/80/92/24/569809224.db2.gz FJIROWAKFHDSJC-RDVPWKDFSA-N 0 3 487.754 5.445 50 0 biogenic JKAAHN CC1(C)CC2=C(SC(=O)c3ccccc3[C@@H]2c2ccccc2F)N(C(=N)Nc2ccccc2)C1 ZINC000039929492 569812309 /nfs/dbraw/zinc/81/23/09/569812309.db2.gz CTRCFIJBCHDDGZ-XMMPIXPASA-N 0 3 471.601 6.835 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102695048 569816055 /nfs/dbraw/zinc/81/60/55/569816055.db2.gz CIVBBXOPQCRVEW-PCCBWWKXSA-N 0 3 483.749 5.154 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000102705463 569816387 /nfs/dbraw/zinc/81/63/87/569816387.db2.gz JHWYEMZUASUQBO-PCCBWWKXSA-N 0 3 457.288 5.184 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000102706269 569816391 /nfs/dbraw/zinc/81/63/91/569816391.db2.gz IWVMXDZNASXNLL-CCDWMCETSA-N 0 3 489.358 6.198 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102706950 569816692 /nfs/dbraw/zinc/81/66/92/569816692.db2.gz MSBVFUXMYIKKSU-SONWIMMPSA-N 0 3 489.358 6.198 50 0 JKAAHN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000102728236 569817920 /nfs/dbraw/zinc/81/79/20/569817920.db2.gz VQZSFLRIFPUOGK-MQSCRBSSSA-N 0 3 467.352 5.607 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102732027 569818282 /nfs/dbraw/zinc/81/82/82/569818282.db2.gz DXAKBAZQJKEEPE-PCCBWWKXSA-N 0 3 483.749 5.154 50 0 JKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000102734043 569818440 /nfs/dbraw/zinc/81/84/40/569818440.db2.gz QUZFCEYKBMIPLK-BHIFYINESA-N 0 3 487.770 6.006 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102732740 569818484 /nfs/dbraw/zinc/81/84/84/569818484.db2.gz GSCIUQJEBZPKDM-PWRODBHTSA-N 0 3 473.743 5.698 50 0 JKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000102734425 569818744 /nfs/dbraw/zinc/81/87/44/569818744.db2.gz AHVAHEGIIFNXEB-CCDWMCETSA-N 0 3 476.960 5.570 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000102740521 569819143 /nfs/dbraw/zinc/81/91/43/569819143.db2.gz QUENEMRYTACVHE-ISJGIBHGSA-N 0 3 489.358 6.198 50 0 JKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1 ZINC000102754472 569820990 /nfs/dbraw/zinc/82/09/90/569820990.db2.gz JVAPSYWNJQZRSO-XPWALMASSA-N 0 3 483.351 5.443 50 0 JKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000102754069 569821040 /nfs/dbraw/zinc/82/10/40/569821040.db2.gz CFBQIAMWYCHNHS-HZFUHODCSA-N 0 3 498.623 6.214 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCc5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000102756403 569821258 /nfs/dbraw/zinc/82/12/58/569821258.db2.gz PQWOEEQMSCRUAP-MPFGFTFXSA-N 0 3 490.559 5.625 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1C ZINC000102755747 569821377 /nfs/dbraw/zinc/82/13/77/569821377.db2.gz WQTMRVXPDUQCJJ-XPWALMASSA-N 0 3 467.352 5.661 50 0 JKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000102757141 569821554 /nfs/dbraw/zinc/82/15/54/569821554.db2.gz LWODHHPUMNDSQK-BHDDXSALSA-N 0 3 453.325 5.353 50 0 JKAAHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000102758544 569821624 /nfs/dbraw/zinc/82/16/24/569821624.db2.gz GWYMEFLNMYFRLW-CCDWMCETSA-N 0 3 456.542 5.044 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(C(F)(F)F)c4)[C@@H]3C2=O)cc1 ZINC000102759948 569821890 /nfs/dbraw/zinc/82/18/90/569821890.db2.gz NUSLVQVAMIDFEU-FDFHNCONSA-N 0 3 452.432 5.065 50 0 JKAAHN Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C2ON1c1ccccc1 ZINC000102763731 569822734 /nfs/dbraw/zinc/82/27/34/569822734.db2.gz RBBCIPDUDXIEHR-BHDDXSALSA-N 0 3 452.432 5.065 50 0 JKAAHN Cc1cc(Br)c(NC(=O)CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(Br)c1 ZINC000040161488 569822770 /nfs/dbraw/zinc/82/27/70/569822770.db2.gz FYZDLOIYYLKIRR-JHMRYYBSSA-N 0 3 484.276 5.653 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4c(F)cccc4Cl)[C@H]3C2=O)c(C)c1 ZINC000102765966 569822886 /nfs/dbraw/zinc/82/28/86/569822886.db2.gz PINIHTSUYLLQKH-XPWALMASSA-N 0 3 450.897 5.147 50 0 JKAAHN Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)C2ON1c1ccccc1 ZINC000102767815 569823290 /nfs/dbraw/zinc/82/32/90/569823290.db2.gz JKWILGWXNXPJPA-YPAWHYETSA-N 0 3 452.432 5.065 50 0 JKAAHN Cc1ccc([C@@H]2CN(Cc3cc(C)ccc3F)C[C@@H]2CN(C(=O)C(C)C)C2CCCCC2)cc1 ZINC000103208245 569833781 /nfs/dbraw/zinc/83/37/81/569833781.db2.gz SVELAAHXTNADKY-IAPPQJPRSA-N 0 3 464.669 6.475 50 0 JKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1cccnc1)[C@@]21c2ccccc2NC1=O ZINC000043727095 569838319 /nfs/dbraw/zinc/83/83/19/569838319.db2.gz SIIKHIDEESCFAH-WJQRCLFPSA-N 0 3 491.591 5.060 50 0 JKAAHN C[C@H](CCc1ccc(-c2ccc(F)cc2F)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045068711 569839956 /nfs/dbraw/zinc/83/99/56/569839956.db2.gz MVDWRWMXTNICJG-OAQYLSRUSA-N 0 3 469.019 6.672 50 0 JKAAHN Fc1ccc(-c2ccc(OCCCCN3CCN(Cc4ccc(Cl)cc4)CC3)cc2)c(F)c1 ZINC000045068836 569839965 /nfs/dbraw/zinc/83/99/65/569839965.db2.gz 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CCOc1cc(CN2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)ccc1OC ZINC000020778860 195224102 /nfs/dbraw/zinc/22/41/02/195224102.db2.gz UKJAHWDQKHJYSV-RUZDIDTESA-N 0 3 480.612 5.993 50 0 JKAAHN Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000020784030 195225052 /nfs/dbraw/zinc/22/50/52/195225052.db2.gz JMGNWAWVAOAAEZ-JOCHJYFZSA-N 0 3 456.540 6.172 50 0 JKAAHN Fc1ccccc1[C@H](NCC1CCN(Cc2ccc(Cl)cc2)CC1)c1nnc(-c2ccccc2)o1 ZINC000020988809 195261438 /nfs/dbraw/zinc/26/14/38/195261438.db2.gz BQHBVFIXQYUKKP-SANMLTNESA-N 0 3 491.010 6.120 50 0 JKAAHN Fc1ccccc1[C@@H](NCC1CCN(Cc2ccc(Cl)cc2)CC1)c1nnc(-c2ccccc2)o1 ZINC000020988806 195261565 /nfs/dbraw/zinc/26/15/65/195261565.db2.gz BQHBVFIXQYUKKP-AREMUKBSSA-N 0 3 491.010 6.120 50 0 JKAAHN CC(C)NC(=O)[C@@H]1C[C@@H](NCc2ccccc2C(F)(F)F)CN1Cc1ccc2ccccc2c1 ZINC000020995584 195264171 /nfs/dbraw/zinc/26/41/71/195264171.db2.gz WHNLRKZRSBCYOZ-NOZRDPDXSA-N 0 3 469.551 5.116 50 0 JKAAHN O=c1c2c(ncn1CCCc1ccccc1)sc1c2CC[C@@H](NCc2cc(F)c(F)c(F)c2)C1 ZINC000020999146 195265374 /nfs/dbraw/zinc/26/53/74/195265374.db2.gz RXJBMMZMWAIDCN-GOSISDBHSA-N 0 3 483.559 5.155 50 0 JKAAHN Cc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)c(C)c1 ZINC000020999849 195265720 /nfs/dbraw/zinc/26/57/20/195265720.db2.gz JIKNNSLLYDACMS-SANMLTNESA-N 0 3 473.665 5.087 50 0 JKAAHN Cc1nn(-c2ccccc2)c2sc(C(=O)NCC3CCN(Cc4ccc(C)cc4)CC3)cc12 ZINC000021103625 195276907 /nfs/dbraw/zinc/27/69/07/195276907.db2.gz HNUJRFPOXXBZGN-UHFFFAOYSA-N 0 3 458.631 5.346 50 0 JKAAHN COc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccc(C)cc3)CC2)cc1 ZINC000021116218 195278341 /nfs/dbraw/zinc/27/83/41/195278341.db2.gz PABXOSJRXGLARK-UHFFFAOYSA-N 0 3 481.640 5.535 50 0 JKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccccc4Cl)CC3)cc3ccccc32)cc1 ZINC000021116189 195278447 /nfs/dbraw/zinc/27/84/47/195278447.db2.gz QMCLWSXQRVHFKG-UHFFFAOYSA-N 0 3 486.059 6.180 50 0 JKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4cccc(F)c4)CC3)cc3ccccc32)cc1 ZINC000021116354 195278772 /nfs/dbraw/zinc/27/87/72/195278772.db2.gz VIENIODDEZLRGF-UHFFFAOYSA-N 0 3 469.604 5.666 50 0 JKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccccc4F)CC3)cc3ccccc32)cc1 ZINC000021116331 195278847 /nfs/dbraw/zinc/27/88/47/195278847.db2.gz CMIPSCXFQNGWFY-UHFFFAOYSA-N 0 3 469.604 5.666 50 0 JKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccc5c(c4)OCO5)CC3)cc3ccccc32)cc1 ZINC000021116232 195278864 /nfs/dbraw/zinc/27/88/64/195278864.db2.gz NDNOKNGMQHVQRP-UHFFFAOYSA-N 0 3 495.623 5.255 50 0 JKAAHN CSc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccc(C)cc3)CC2)cc1 ZINC000021116340 195278871 /nfs/dbraw/zinc/27/88/71/195278871.db2.gz JOLJUNABQLNXRU-UHFFFAOYSA-N 0 3 497.708 6.248 50 0 JKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4cccc(C)c4)CC3)cc3ccccc32)cc1 ZINC000021116252 195278900 /nfs/dbraw/zinc/27/89/00/195278900.db2.gz VITACKMCSRPZIV-UHFFFAOYSA-N 0 3 465.641 5.835 50 0 JKAAHN CCCCN(CC)CCN1C(=O)c2cc3sc(CC)cc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021526068 195304882 /nfs/dbraw/zinc/30/48/82/195304882.db2.gz GAFAEVSIPHYJRN-HHHXNRCGSA-N 0 3 486.726 5.051 50 0 JKAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)c3c4c(nc5ccccc53)C(=O)N(C3CCCCC3)C4)C2)cc1 ZINC000021915488 195332021 /nfs/dbraw/zinc/33/20/21/195332021.db2.gz RSVDXUBXXIFWEV-QHCPKHFHSA-N 0 3 496.655 5.084 50 0 JKAAHN CN(CCCNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21)Cc1ccccc1 ZINC000021935007 195336260 /nfs/dbraw/zinc/33/62/60/195336260.db2.gz BANQAJYPPZFKGY-UHFFFAOYSA-N 0 3 489.417 5.311 50 0 JKAAHN CCOC(=O)c1c(C)c2cc(OC)ccc2n1CCN(Cc1ccccc1)Cc1ccccc1 ZINC000058171872 195371017 /nfs/dbraw/zinc/37/10/17/195371017.db2.gz ABNNGBNNSDMVIU-UHFFFAOYSA-N 0 3 456.586 5.837 50 0 JKAAHN CCCCOc1ccc([C@@](C)(O)[C@H](CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000058480189 195380303 /nfs/dbraw/zinc/38/03/03/195380303.db2.gz LYPBMNMXFVRGJH-LOYHVIPDSA-N 0 3 476.636 5.818 50 0 JKAAHN CC1=C2C[C@@H]3[C@H](CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000059415277 195399444 /nfs/dbraw/zinc/39/94/44/195399444.db2.gz UNILYICFDBVZCR-AAYSFUBESA-N 0 3 463.449 5.574 50 0 biogenic JKAAHN COCc1nn2c(c1-c1ccccc1)NC(=O)C2CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000096194537 129985143 /nfs/dbraw/zinc/98/51/43/129985143.db2.gz BTRDYOCNTWAVHI-QHCPKHFHSA-N 0 3 468.513 5.011 50 0 JKAAHN COc1ccc(CCNC(=O)[C@H]2C[C@@H](c3ccc(F)c(C)c3)CN(Cc3ccccc3Cl)C2)cc1 ZINC000096247511 130002131 /nfs/dbraw/zinc/00/21/31/130002131.db2.gz AVHQZHQVZOMFAL-RPBOFIJWSA-N 0 3 495.038 5.761 50 0 JKAAHN COc1ccc(CCNC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)CN(Cc3ccccc3Cl)C2)cc1 ZINC000096247513 130002531 /nfs/dbraw/zinc/00/25/31/130002531.db2.gz AVHQZHQVZOMFAL-JWQCQUIFSA-N 0 3 495.038 5.761 50 0 JKAAHN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F)NCCN1CCCC1 ZINC000096275379 130011309 /nfs/dbraw/zinc/01/13/09/130011309.db2.gz MOCXFLONHLPSAK-AREMUKBSSA-N 0 3 469.604 5.563 50 0 JKAAHN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)C1CCCCC1)NCCN1CCCC1 ZINC000096275426 130011420 /nfs/dbraw/zinc/01/14/20/130011420.db2.gz PHIMLTNVXJWSHD-MHZLTWQESA-N 0 3 457.662 5.956 50 0 JKAAHN O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F)NCCN1CCCC1 ZINC000096287520 130030800 /nfs/dbraw/zinc/03/08/00/130030800.db2.gz FJHLEQMHUBFNLH-SANMLTNESA-N 0 3 487.594 5.702 50 0 JKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000102864383 130336098 /nfs/dbraw/zinc/33/60/98/130336098.db2.gz SCDMWIVARPGQQM-YPAWHYETSA-N 0 3 497.776 5.462 50 0 JKAAHN C(=C/c1ccccc1)\C[C@H](/C=C/c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000044831324 518371156 /nfs/dbraw/zinc/37/11/56/518371156.db2.gz FFKBIJDNNHKVGD-GNBJAHSTSA-N 0 3 484.687 7.579 50 0 in-vitro JKAAHN CC(C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036307585 519653463 /nfs/dbraw/zinc/65/34/63/519653463.db2.gz NSVDZQKWQIXPHL-QFIPXVFZSA-N 0 3 469.601 5.405 50 0 JKAAHN CC(=O)Nc1ccc(-c2cc(C(=O)N3CCN(C4CCCCC4)CC3)c3cc(C)ccc3n2)cc1 ZINC000033106348 519708040 /nfs/dbraw/zinc/70/80/40/519708040.db2.gz NPGCOKYXYDNVTM-UHFFFAOYSA-N 0 3 470.617 5.259 50 0 JKAAHN CC(=O)Nc1ccc(CN2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)cc1 ZINC000014996313 519715873 /nfs/dbraw/zinc/71/58/73/519715873.db2.gz KKEUXRNIHRDLFT-MHZLTWQESA-N 0 3 493.648 5.441 50 0 JKAAHN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000036306669 519717633 /nfs/dbraw/zinc/71/76/33/519717633.db2.gz FWPGTGGVCTXSJF-JOCHJYFZSA-N 0 3 483.628 5.653 50 0 JKAAHN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccccc1 ZINC000036151091 519717667 /nfs/dbraw/zinc/71/76/67/519717667.db2.gz PAPKPJYXZMJHEM-SANMLTNESA-N 0 3 477.649 5.368 50 0 JKAAHN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000036308052 519717843 /nfs/dbraw/zinc/71/78/43/519717843.db2.gz FKSPQEIFPLSDDL-HSZRJFAPSA-N 0 3 451.611 5.123 50 0 JKAAHN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036307397 519717917 /nfs/dbraw/zinc/71/79/17/519717917.db2.gz DGBCGSCCSNJUHW-HSZRJFAPSA-N 0 3 483.628 5.653 50 0 JKAAHN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036307376 519717954 /nfs/dbraw/zinc/71/79/54/519717954.db2.gz KZKWVNBHGDDOKI-SANMLTNESA-N 0 3 487.619 6.080 50 0 JKAAHN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COc1ccccc1 ZINC000036151083 519718005 /nfs/dbraw/zinc/71/80/05/519718005.db2.gz YOWXVSDFMLEPGX-DEOSSOPVSA-N 0 3 463.622 5.230 50 0 JKAAHN CC(C)CN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268810 519718088 /nfs/dbraw/zinc/71/80/88/519718088.db2.gz SGQSUCAUZDJLKK-UHFFFAOYSA-N 0 3 455.986 5.874 50 0 JKAAHN CC(C)CN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033069036 519718116 /nfs/dbraw/zinc/71/81/16/519718116.db2.gz IQDGDSBCIFDTCS-UHFFFAOYSA-N 0 3 463.622 6.344 50 0 JKAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C3CCCCC3)CC2)[C@H]1c1cccs1 ZINC000020508424 519719759 /nfs/dbraw/zinc/71/97/59/519719759.db2.gz MQEHXQLGHLSHHE-IZZNHLLZSA-N 0 3 479.690 5.162 50 0 JKAAHN CC(C)COC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036306645 519755609 /nfs/dbraw/zinc/75/56/09/519755609.db2.gz WUTYYAWMMNZVOP-QHCPKHFHSA-N 0 3 483.628 5.510 50 0 JKAAHN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036307044 519757400 /nfs/dbraw/zinc/75/74/00/519757400.db2.gz JEZLNIBJCJDWCO-HSZRJFAPSA-N 0 3 469.601 5.262 50 0 JKAAHN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036306647 519757697 /nfs/dbraw/zinc/75/76/97/519757697.db2.gz WUTYYAWMMNZVOP-HSZRJFAPSA-N 0 3 483.628 5.510 50 0 JKAAHN CC(C)OC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307277 519773880 /nfs/dbraw/zinc/77/38/80/519773880.db2.gz OAGCIGIWWIHMEA-HSZRJFAPSA-N 0 3 467.585 5.016 50 0 JKAAHN CCCN1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000025578365 519848061 /nfs/dbraw/zinc/84/80/61/519848061.db2.gz CKVYSNFCVIVVSY-VWLOTQADSA-N 0 3 480.439 6.892 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036303998 520096237 /nfs/dbraw/zinc/09/62/37/520096237.db2.gz ZWDLSGGYLUFVHU-QFIPXVFZSA-N 0 3 473.564 5.107 50 0 JKAAHN CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)CC(C)C ZINC000036305687 520797203 /nfs/dbraw/zinc/79/72/03/520797203.db2.gz UIMSMSAPPFZVCZ-JOCHJYFZSA-N 0 3 451.611 5.507 50 0 JKAAHN CCCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000008590461 520896299 /nfs/dbraw/zinc/89/62/99/520896299.db2.gz ZSWQAFFTTQLJQT-AREMUKBSSA-N 0 3 492.616 5.176 50 0 JKAAHN CCN(CC)c1onc(-c2ccccc2)c1CN(CC(C)C)C[C@@H](O)COc1ccccc1 ZINC000036208286 520935283 /nfs/dbraw/zinc/93/52/83/520935283.db2.gz FJEGIAMUGDLRHG-HSZRJFAPSA-N 0 3 451.611 5.086 50 0 JKAAHN CCOc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3C)CC2)cc1 ZINC000008602150 520981430 /nfs/dbraw/zinc/98/14/30/520981430.db2.gz UULLJMQUUKNCST-UHFFFAOYSA-N 0 3 495.667 5.925 50 0 aggregator JKAAHN CCC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036302631 521182927 /nfs/dbraw/zinc/18/29/27/521182927.db2.gz RVAHLXMRIPIOQL-QHCPKHFHSA-N 0 3 463.622 5.609 50 0 JKAAHN CCCCc1ncc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)[nH]1 ZINC000012307160 521294931 /nfs/dbraw/zinc/29/49/31/521294931.db2.gz FQSVBVXENZRAOV-UHFFFAOYSA-N 0 3 450.558 5.534 50 0 JKAAHN CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1CN(CC)CC ZINC000005225583 521420422 /nfs/dbraw/zinc/42/04/22/521420422.db2.gz PBKUSMINMDYJBO-UHFFFAOYSA-N 0 3 459.384 5.420 50 0 biogenic JKAAHN CCOc1ccccc1CNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000046055838 521487184 /nfs/dbraw/zinc/48/71/84/521487184.db2.gz PPWSMHCSIZQHJU-UHFFFAOYSA-N 0 3 495.667 5.925 50 0 JKAAHN CCC(CC)C(=O)N1CCC(Oc2ccc(CN(C)Cc3cc4ccccc4s3)cc2)CC1 ZINC000014995403 521488004 /nfs/dbraw/zinc/48/80/04/521488004.db2.gz SXTDUKFRJBRSTN-UHFFFAOYSA-N 0 3 464.675 6.339 50 0 JKAAHN CCN1CCC[C@@H]1CNC(=O)c1sc2c(cnc3ccc(OC)cc23)c1-c1ccc(C)cc1 ZINC000045943794 521639467 /nfs/dbraw/zinc/63/94/67/521639467.db2.gz SKCQBJOMWICXMI-LJQANCHMSA-N 0 3 459.615 5.648 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000036305561 521678260 /nfs/dbraw/zinc/67/82/60/521678260.db2.gz XZBGIITTWJEHLV-JOCHJYFZSA-N 0 3 481.637 5.276 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000036305910 521678292 /nfs/dbraw/zinc/67/82/92/521678292.db2.gz MOWAINGVINHEMP-QFIPXVFZSA-N 0 3 481.637 5.276 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036307681 521678322 /nfs/dbraw/zinc/67/83/22/521678322.db2.gz YTDUHWAONNNPBE-QHCPKHFHSA-N 0 3 469.601 5.264 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)COC(C)C ZINC000036306472 521678388 /nfs/dbraw/zinc/67/83/88/521678388.db2.gz MAZYRNMWSMEGMJ-QHCPKHFHSA-N 0 3 451.611 5.186 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000036307634 521678653 /nfs/dbraw/zinc/67/86/53/521678653.db2.gz XZEAMXVMUJPJPP-DEOSSOPVSA-N 0 3 489.591 5.670 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000036305913 521678730 /nfs/dbraw/zinc/67/87/30/521678730.db2.gz MOWAINGVINHEMP-JOCHJYFZSA-N 0 3 481.637 5.276 50 0 JKAAHN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)Cc1ccccc1 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464.581 5.331 50 0 JKAAHN COc1cccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccc(C)cc3)CC2)c1 ZINC000008606993 525962795 /nfs/dbraw/zinc/96/27/95/525962795.db2.gz HSQYSYPNKJTTKU-UHFFFAOYSA-N 0 3 481.640 5.535 50 0 JKAAHN CSc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3C)CC2)cc1 ZINC000046055840 525992636 /nfs/dbraw/zinc/99/26/36/525992636.db2.gz OEOJOSLNAMZDCD-UHFFFAOYSA-N 0 3 497.708 6.248 50 0 JKAAHN Cc1ccc(C(=O)N2CCCC[C@H]2CCOc2ccc(CN(C)Cc3cccs3)cc2)cc1 ZINC000014989751 526093101 /nfs/dbraw/zinc/09/31/01/526093101.db2.gz LNQVYSINXXADOT-VWLOTQADSA-N 0 3 462.659 6.152 50 0 JKAAHN COc1cccc(NC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3Cl)CC2)c1 ZINC000046055678 526169633 /nfs/dbraw/zinc/16/96/33/526169633.db2.gz YDHYCKWSZVIRTB-UHFFFAOYSA-N 0 3 488.031 6.202 50 0 JKAAHN Cc1ccc(C(=O)NC[C@H](C)Oc2cccc(CN3CC=C(c4ccc(F)cc4)CC3)c2)s1 ZINC000012452574 526179122 /nfs/dbraw/zinc/17/91/22/526179122.db2.gz YQEOUMUPSZTUCI-IBGZPJMESA-N 0 3 464.606 5.682 50 0 JKAAHN Cc1cc(C(=O)N2CCC(Oc3ccc(CN(C)Cc4cc5ccccc5s4)cc3)CC2)n(C)n1 ZINC000012244230 526239685 /nfs/dbraw/zinc/23/96/85/526239685.db2.gz MGIFWGXHYVWJKN-UHFFFAOYSA-N 0 3 488.657 5.259 50 0 JKAAHN O=C(NCCN1CCCCCC1)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035478 526310449 /nfs/dbraw/zinc/31/04/49/526310449.db2.gz KKVJMOFBVGGGFG-QHCPKHFHSA-N 0 3 483.056 5.357 50 0 JKAAHN Cc1nn2c(nc(C)cc2N2CCN(Cc3c(C)ccc4ccccc43)CC2)c1-c1ccccc1 ZINC000020478326 526311256 /nfs/dbraw/zinc/31/12/56/526311256.db2.gz NPSUCPFBHYSRGQ-UHFFFAOYSA-N 0 3 461.613 5.797 50 0 JKAAHN Cc1nn2c(nc(C)cc2N2CCN(Cc3c(C)ccc4ccccc43)CC2)c1-c1ccc(Cl)cc1 ZINC000020478577 526311477 /nfs/dbraw/zinc/31/14/77/526311477.db2.gz QKCBPMVZIYBATL-UHFFFAOYSA-N 0 3 496.058 6.450 50 0 JKAAHN Fc1ccc(-c2noc3ncnc(NCC4CCN(Cc5ccc(Cl)cc5)CC4)c32)cc1 ZINC000008595334 526320121 /nfs/dbraw/zinc/32/01/21/526320121.db2.gz FRGXTAWUPDUAJJ-UHFFFAOYSA-N 0 3 451.933 5.401 50 0 JKAAHN Fc1ccc(CN2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)cc1 ZINC000014979130 526332225 /nfs/dbraw/zinc/33/22/25/526332225.db2.gz MZBWZZHHGDXUDN-XMMPIXPASA-N 0 3 466.626 5.116 50 0 JKAAHN c1c(-c2ccccc2)sc2ncnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000025286492 526396183 /nfs/dbraw/zinc/39/61/83/526396183.db2.gz HGLJVZXLCWWLNP-UHFFFAOYSA-N 0 3 462.622 6.270 50 0 JKAAHN O=C(NCCc1ccccc1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000008602085 526422731 /nfs/dbraw/zinc/42/27/31/526422731.db2.gz QUHXXBBGIXNWJA-UHFFFAOYSA-N 0 3 451.614 5.261 50 0 JKAAHN O=C(NCCc1ccccc1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046056038 526423016 /nfs/dbraw/zinc/42/30/16/526423016.db2.gz LCHNKSYJEGYHFX-UHFFFAOYSA-N 0 3 469.604 5.400 50 0 JKAAHN O=C(NCCc1cccs1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055970 526442912 /nfs/dbraw/zinc/44/29/12/526442912.db2.gz UZAOCDZHOYCUOM-UHFFFAOYSA-N 0 3 475.633 5.461 50 0 JKAAHN O=C(CCCc1nc2cccnc2n1C1CCN(Cc2ccccc2)CC1)NC1CCCCC1 ZINC000021634579 526466897 /nfs/dbraw/zinc/46/68/97/526466897.db2.gz MIYQGMWBVUPMNE-UHFFFAOYSA-N 0 3 459.638 5.040 50 0 JKAAHN c1ccc(Cn2c(SC[C@H]3CCCO3)nnc2C2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000014956335 526479767 /nfs/dbraw/zinc/47/97/67/526479767.db2.gz FWNOYHFCTVATBB-AREMUKBSSA-N 0 3 499.684 5.525 50 0 JKAAHN c1csc(CN2CCC(c3nnc(SCCc4ccccc4)n3C[C@H]3CCCO3)CC2)c1 ZINC000012333590 526578916 /nfs/dbraw/zinc/57/89/16/526578916.db2.gz MCEAEAMCIUQVIW-JOCHJYFZSA-N 0 3 468.692 5.233 50 0 JKAAHN O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055430 526659037 /nfs/dbraw/zinc/65/90/37/526659037.db2.gz IJHIHVQOLBHYQV-UHFFFAOYSA-N 0 3 472.032 5.871 50 0 JKAAHN O=C(NCc1ccc(F)cc1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055954 526670691 /nfs/dbraw/zinc/67/06/91/526670691.db2.gz HMPZWOBMTHXVER-UHFFFAOYSA-N 0 3 473.567 5.496 50 0 JKAAHN Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1F)C1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000014997177 526801774 /nfs/dbraw/zinc/80/17/74/526801774.db2.gz OYIQIBDTTASWNN-LJAQVGFWSA-N 0 3 485.603 5.871 50 0 JKAAHN O=C(c1cccs1)N1CCC[C@H](COc2cccc(CN3CCC(Cc4ccccc4)CC3)c2)C1 ZINC000014988551 526835934 /nfs/dbraw/zinc/83/59/34/526835934.db2.gz IKUBLNZWRFQILK-MHZLTWQESA-N 0 3 488.697 6.134 50 0 JKAAHN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055455 526914842 /nfs/dbraw/zinc/91/48/42/526914842.db2.gz DWYPYNOCKVLDGP-SSEXGKCCSA-N 0 3 477.652 6.095 50 0 JKAAHN O=C(COc1ccccc1)Nc1ccc(N2CCC(NCc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000012218524 526985389 /nfs/dbraw/zinc/98/53/89/526985389.db2.gz NSJQVKMIOYSDKH-UHFFFAOYSA-N 0 3 498.652 5.586 50 0 JKAAHN O=C1CC[C@@H]2CN(Cc3cccc(OCc4ccccc4)c3)CC[C@@H]2N1CCc1ccccc1F ZINC000014995534 526993896 /nfs/dbraw/zinc/99/38/96/526993896.db2.gz ZNOIHWDDEUEMDL-UHSQPCAPSA-N 0 3 472.604 5.460 50 0 JKAAHN Cc1nc([C@H](C)NC2CCN(c3ccc(NC(=O)Cc4cccc(F)c4)cc3)CC2)cs1 ZINC000014993331 527063150 /nfs/dbraw/zinc/06/31/50/527063150.db2.gz CYNGRUGHBLIXCC-KRWDZBQOSA-N 0 3 452.599 5.091 50 0 JKAAHN O=C(Nc1cccc(F)c1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055695 527348508 /nfs/dbraw/zinc/34/85/08/527348508.db2.gz VWTQPSAGVTUWRJ-UHFFFAOYSA-N 0 3 475.995 6.333 50 0 JKAAHN O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000016225177 527410638 /nfs/dbraw/zinc/41/06/38/527410638.db2.gz WCLPVBKEWBGLHM-UHFFFAOYSA-N 0 3 475.592 5.427 50 0 JKAAHN O=c1oc2c(ccc3c2CN(C2CCN(Cc4ccccc4)CC2)CO3)cc1-c1ccccc1 ZINC000013684334 527497380 /nfs/dbraw/zinc/49/73/80/527497380.db2.gz LCJDHHMZLGGRBD-UHFFFAOYSA-N 0 3 452.554 5.277 50 0 JKAAHN O=C(NC1CCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055651 527512392 /nfs/dbraw/zinc/51/23/92/527512392.db2.gz VQDAKKZACDYOQO-UHFFFAOYSA-N 0 3 464.053 6.004 50 0 JKAAHN O=C(NC1CCCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055932 527518325 /nfs/dbraw/zinc/51/83/25/527518325.db2.gz PVOVWRYCIXRYTO-UHFFFAOYSA-N 0 3 461.625 5.880 50 0 JKAAHN O=C(NC1CCCCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055591 527519930 /nfs/dbraw/zinc/51/99/30/527519930.db2.gz PRZXDNXNOAJJID-UHFFFAOYSA-N 0 3 492.107 6.784 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Nc2ncc(-c3cccc(F)c3)cn2)cc1 ZINC000033126447 527531168 /nfs/dbraw/zinc/53/11/68/527531168.db2.gz FSZAZYFFKSPHCT-UHFFFAOYSA-N 0 3 481.575 5.421 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1 ZINC000033261209 527531506 /nfs/dbraw/zinc/53/15/06/527531506.db2.gz JNDJZPBHGFXWII-UHFFFAOYSA-N 0 3 481.575 5.421 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccncc2)nc2ccc(Cl)cc21 ZINC000020522479 527531740 /nfs/dbraw/zinc/53/17/40/527531740.db2.gz HGNKPMCVRMVSIK-UHFFFAOYSA-N 0 3 456.977 5.345 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)COC(C)(C)C)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307338 527538083 /nfs/dbraw/zinc/53/80/83/527538083.db2.gz QNMXQORYVFIWJA-QHCPKHFHSA-N 0 3 481.612 5.407 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC(C)C)C[C@@H](O)COC(C)C ZINC000036303965 527548396 /nfs/dbraw/zinc/54/83/96/527548396.db2.gz ACOAMFZBUDDCJG-HSZRJFAPSA-N 0 3 487.591 5.495 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1CNCCCn1ccnc1 ZINC000009731714 527549484 /nfs/dbraw/zinc/54/94/84/527549484.db2.gz ZUNMVMWURLXMIU-UHFFFAOYSA-N 0 3 466.383 5.112 50 0 JKAAHN O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000012338101 527618753 /nfs/dbraw/zinc/61/87/53/527618753.db2.gz DQMYOSAGBNJBHO-GDLZYMKVSA-N 0 3 477.652 6.108 50 0 JKAAHN O=C(NCCC1=CCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055641 527623339 /nfs/dbraw/zinc/62/33/39/527623339.db2.gz FQEJKHSEPOMELV-UHFFFAOYSA-N 0 3 490.091 6.562 50 0 JKAAHN COc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000096275629 536587144 /nfs/dbraw/zinc/58/71/44/536587144.db2.gz VYSCVGXSZSCVRB-NDEPHWFRSA-N 0 3 499.630 5.571 50 0 JKAAHN COc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCCC3)c3ccccc3F)c3ccccc32)cc1 ZINC000096277076 536588000 /nfs/dbraw/zinc/58/80/00/536588000.db2.gz XELJYUZJEAVONJ-MHZLTWQESA-N 0 3 499.630 5.571 50 0 JKAAHN COc1ccc([C@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000096275473 536909803 /nfs/dbraw/zinc/90/98/03/536909803.db2.gz AGUUAIKHLSCGPF-LJAQVGFWSA-N 0 3 495.667 5.741 50 0 JKAAHN Cc1cc(Oc2coc3cc(OC[C@@H](O)CN4CCC(C)CC4)ccc3c2=O)cc(C)c1Cl ZINC000001811010 553992252 /nfs/dbraw/zinc/99/22/52/553992252.db2.gz JIDYKFZROIDTLF-IBGZPJMESA-N 0 3 471.981 5.327 50 0 JKAAHN Cc1cccc(Oc2c(=O)c3ccc(OC[C@H](O)CN4CCC(C)CC4)cc3oc2C(F)(F)F)c1 ZINC000001811014 553992277 /nfs/dbraw/zinc/99/22/77/553992277.db2.gz WJEAZGWAJLCRMJ-GOSISDBHSA-N 0 3 491.506 5.384 50 0 JKAAHN Cc1cc(Oc2coc3cc(OC[C@H](O)CN4CCC(C)CC4)ccc3c2=O)cc(C)c1Cl ZINC000001811009 553992379 /nfs/dbraw/zinc/99/23/79/553992379.db2.gz JIDYKFZROIDTLF-LJQANCHMSA-N 0 3 471.981 5.327 50 0 JKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(Cn2nc(C)c(Br)c2C)c1 ZINC000002119028 554054726 /nfs/dbraw/zinc/05/47/26/554054726.db2.gz OZGLKHKJHYJQCW-DEOSSOPVSA-N 0 3 495.421 5.044 50 0 biogenic JKAAHN COc1cccc(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc3c4ccccc4[nH]c32)c1 ZINC000002122310 554056470 /nfs/dbraw/zinc/05/64/70/554056470.db2.gz LMJRLYCEXRZQQW-UHFFFAOYSA-N 0 3 490.607 5.786 50 0 biogenic JKAAHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000002177976 554078102 /nfs/dbraw/zinc/07/81/02/554078102.db2.gz XXGUPXQSXBWVLA-INIZCTEOSA-N 0 3 460.799 6.541 50 0 JKAAHN COc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000002177977 554078133 /nfs/dbraw/zinc/07/81/33/554078133.db2.gz XXGUPXQSXBWVLA-MRXNPFEDSA-N 0 3 460.799 6.541 50 0 JKAAHN Cc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(c1nc2c(cc(C)cc2C)s1)C3=O ZINC000002197251 554089857 /nfs/dbraw/zinc/08/98/57/554089857.db2.gz MATIMIBCZRWKSK-HSZRJFAPSA-N 0 3 470.525 6.217 50 0 JKAAHN Cc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(c1nc2c(cc(C)cc2C)s1)C3=O ZINC000002197250 554089901 /nfs/dbraw/zinc/08/99/01/554089901.db2.gz MATIMIBCZRWKSK-QHCPKHFHSA-N 0 3 470.525 6.217 50 0 JKAAHN CCc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000002342345 554156576 /nfs/dbraw/zinc/15/65/76/554156576.db2.gz YNSKTCXHMNKLJE-QFIPXVFZSA-N 0 3 456.498 5.854 50 0 JKAAHN CSc1nc2c3c4c(c(C(C)C)nc3sc2c(SCCN2CCCCC2)n1)CCC4 ZINC000002405343 554188350 /nfs/dbraw/zinc/18/83/50/554188350.db2.gz DEGGZLAYPNAWPS-UHFFFAOYSA-N 0 3 458.722 6.152 50 0 JKAAHN COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000002432720 554205825 /nfs/dbraw/zinc/20/58/25/554205825.db2.gz KZJOYLSKYIHPTO-NRFANRHFSA-N 0 3 458.470 5.300 50 0 JKAAHN Cc1ccc(-n2c(SCC(=O)NC[C@@H](c3ccccc3)N(C)C)nnc2-c2ccccc2)cc1C ZINC000002638965 554258921 /nfs/dbraw/zinc/25/89/21/554258921.db2.gz HMGCZKSNLGJLAI-VWLOTQADSA-N 0 3 485.657 5.062 50 0 JKAAHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc3c(c2)OCCO3)N2C[C@H](C)C[C@H](C)C2)c1C ZINC000002659607 554273744 /nfs/dbraw/zinc/27/37/44/554273744.db2.gz XRXVBSQYFGNTKU-QLODZENZSA-N 0 3 480.630 6.049 50 0 JKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000003242103 554435947 /nfs/dbraw/zinc/43/59/47/554435947.db2.gz IKEPIUNMNPFVMF-DHLKQENFSA-N 0 3 469.610 5.485 50 0 JKAAHN O[C@@H](CNCc1ccco1)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 ZINC000008432035 554585053 /nfs/dbraw/zinc/58/50/53/554585053.db2.gz RYVUHZJKNGXKGM-SANMLTNESA-N 0 3 472.588 6.872 50 0 JKAAHN Cc1ccc(-c2nnc(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)o2)cc1 ZINC000008756457 554658538 /nfs/dbraw/zinc/65/85/38/554658538.db2.gz VDAQXKHROPBJLP-UHFFFAOYSA-N 0 3 452.558 5.106 50 0 JKAAHN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000008762975 554662853 /nfs/dbraw/zinc/66/28/53/554662853.db2.gz DGGQTYFITYCABS-WOJBJXKFSA-N 0 3 471.601 5.504 50 0 JKAAHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)CCN5CCCC(C)(C)C5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000008789233 554681585 /nfs/dbraw/zinc/68/15/85/554681585.db2.gz GIIVITVBAYMKJG-IWIWXMQLSA-N 0 3 457.699 6.022 50 0 biogenic JKAAHN Cc1oc(-c2ccc(C(=O)NCCN3CCCC3)cc2)nc1CSc1ccc(Cl)cc1 ZINC000008911594 554800566 /nfs/dbraw/zinc/80/05/66/554800566.db2.gz NPEJFKYPFRYYSZ-UHFFFAOYSA-N 0 3 456.011 5.421 50 0 JKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2C)cc1 ZINC000008911872 554801205 /nfs/dbraw/zinc/80/12/05/554801205.db2.gz CILFLTMCNNWMSU-VWLOTQADSA-N 0 3 499.684 5.294 50 0 JKAAHN Cc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)NCCN3CCCCC3)cc2)cc1 ZINC000008911931 554801449 /nfs/dbraw/zinc/80/14/49/554801449.db2.gz OZKJLCKEKQCZIT-UHFFFAOYSA-N 0 3 499.684 5.296 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000008914776 554807893 /nfs/dbraw/zinc/80/78/93/554807893.db2.gz CYFFLCICLQOQOT-UBFVSLLYSA-N 0 3 454.913 5.544 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000009067112 554885719 /nfs/dbraw/zinc/88/57/19/554885719.db2.gz TVUYDYPAMRGARW-HSZRJFAPSA-N 0 3 462.391 5.568 50 0 JKAAHN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCN5CCCC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000009071310 554886283 /nfs/dbraw/zinc/88/62/83/554886283.db2.gz IQWDZXKZGAIZNS-SCJYWPNLSA-N 0 3 483.737 6.578 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(Br)c2)C1 ZINC000009151117 554937087 /nfs/dbraw/zinc/93/70/87/554937087.db2.gz OMMUQGJIEOBOSE-UHFFFAOYSA-N 0 3 459.413 5.001 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2Br)C1 ZINC000009151115 554937181 /nfs/dbraw/zinc/93/71/81/554937181.db2.gz HVMUEDUCSSIVGM-UHFFFAOYSA-N 0 3 459.413 5.001 50 0 JKAAHN CCN1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000009151174 554937396 /nfs/dbraw/zinc/93/73/96/554937396.db2.gz NAUJSSXMCXOKNK-UHFFFAOYSA-N 0 3 460.416 5.285 50 0 JKAAHN Cc1ccc(CN(C(=O)Nc2cc(Cl)ccc2Cl)C2CCN(Cc3ccccc3)CC2)o1 ZINC000009151167 554937401 /nfs/dbraw/zinc/93/74/01/554937401.db2.gz ACKCNJKOWBFJFB-UHFFFAOYSA-N 0 3 472.416 6.594 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccc(N(C)C)cc4)nn3cnc1O2 ZINC000009161278 554950294 /nfs/dbraw/zinc/95/02/94/554950294.db2.gz NBDHQMSMWIEKBK-VWLOTQADSA-N 0 3 499.578 5.637 50 0 JKAAHN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(C3CCN(Cc4ccccc4)CC3)CO2)cc1 ZINC000009184073 554956504 /nfs/dbraw/zinc/95/65/04/554956504.db2.gz OUQVYCZORXRUOB-UHFFFAOYSA-N 0 3 482.580 5.285 50 0 biogenic JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000009191385 554963655 /nfs/dbraw/zinc/96/36/55/554963655.db2.gz XHYRUJWPXZAJNZ-NJDAHSKKSA-N 0 3 457.288 5.184 50 0 JKAAHN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2Cc4ccccc4CN2[C@@H]3c2ccc(Br)cc2)cc1 ZINC000009191523 554963953 /nfs/dbraw/zinc/96/39/53/554963953.db2.gz IHCCNYSQNVISOB-ZYQDXHPFSA-N 0 3 487.397 5.045 50 0 JKAAHN O=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000009194898 554968566 /nfs/dbraw/zinc/96/85/66/554968566.db2.gz GWELIPVCCIQRKY-UHFFFAOYSA-N 0 3 471.620 5.243 50 0 JKAAHN Cc1oc(-c2ccc(C(=O)NCCCN3CCc4ccccc4C3)cc2)nc1COc1ccccc1 ZINC000009211860 554981690 /nfs/dbraw/zinc/98/16/90/554981690.db2.gz BZPXBSCBZIUUCB-UHFFFAOYSA-N 0 3 481.596 5.407 50 0 JKAAHN Cc1nn(-c2cccc(Cl)c2)c2c1C(c1ccccc1)c1c3nc(-c4ccncc4)nn3cnc1O2 ZINC000009266635 555042887 /nfs/dbraw/zinc/04/28/87/555042887.db2.gz RBFPMEPWBMDNII-QFIPXVFZSA-N 0 3 491.942 5.620 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(C)cc1)c1c3nc(-c4cccnc4)nn3cnc1O2 ZINC000009267139 555043058 /nfs/dbraw/zinc/04/30/58/555043058.db2.gz SARZYFFJDIYQSV-HSZRJFAPSA-N 0 3 471.524 5.275 50 0 JKAAHN COc1ccccc1-c1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)C3c1ccccc1 ZINC000009281028 555049875 /nfs/dbraw/zinc/04/98/75/555049875.db2.gz XSOIRGODOMHALO-XMMPIXPASA-N 0 3 486.535 5.580 50 0 JKAAHN COc1ccc2c(c1)[nH]c(C(=O)NC1CCN(Cc3ccccc3)CC1)c2Sc1ccccc1 ZINC000009288351 555062182 /nfs/dbraw/zinc/06/21/82/555062182.db2.gz CQOMZGOGLRHRSN-UHFFFAOYSA-N 0 3 471.626 5.722 50 0 JKAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000009334083 555101878 /nfs/dbraw/zinc/10/18/78/555101878.db2.gz YVHANBOJQHXEHR-OAQYLSRUSA-N 0 3 460.405 5.746 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Br)s3)=NN12 ZINC000009347650 555113578 /nfs/dbraw/zinc/11/35/78/555113578.db2.gz NAYFVVLWFNGACI-HNNXBMFYSA-N 0 3 497.256 5.239 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000009379933 555141917 /nfs/dbraw/zinc/14/19/17/555141917.db2.gz DFOOCTZQRWWJOD-UBFVSLLYSA-N 0 3 454.913 5.544 50 0 JKAAHN CC[C@@H](C)N(CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)Cc1ccco1 ZINC000009407783 555169461 /nfs/dbraw/zinc/16/94/61/555169461.db2.gz GKKYDGJWZPAXLZ-OAHLLOKOSA-N 0 3 461.052 6.298 50 0 JKAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009461779 555229926 /nfs/dbraw/zinc/22/99/26/555229926.db2.gz MXUAEZSFZFSINL-FQEVSTJZSA-N 0 3 492.364 5.406 50 0 JKAAHN CCN(CC)CCN(C(=O)CCCSc1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000009472848 555255695 /nfs/dbraw/zinc/25/56/95/555255695.db2.gz IXSQIQPZMKHJBW-UHFFFAOYSA-N 0 3 463.619 5.822 50 0 JKAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cc(C)ccc3C)=NN12 ZINC000009499469 555284039 /nfs/dbraw/zinc/28/40/39/555284039.db2.gz ONNVCNWTEDLDFO-QFIPXVFZSA-N 0 3 454.412 5.421 50 0 JKAAHN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(-c4cccs4)nc3c21 ZINC000009510568 555300028 /nfs/dbraw/zinc/30/00/28/555300028.db2.gz PIOHSJKJSGZGMN-JOCHJYFZSA-N 0 3 492.564 5.641 50 0 JKAAHN CCCOc1ccc([C@@H]2NC[C@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000013145652 555343153 /nfs/dbraw/zinc/34/31/53/555343153.db2.gz QVDFNNCSZWTCHY-ZBLYBZFDSA-N 0 3 472.585 5.807 50 0 JKAAHN COC(=O)c1c2c(sc1NC(=O)c1cccc(Oc3ccccc3)c1)C(C)(C)NC(C)(C)C2 ZINC000009639723 555349069 /nfs/dbraw/zinc/34/90/69/555349069.db2.gz MNIJCBUUPSLECM-UHFFFAOYSA-N 0 3 464.587 5.739 50 0 JKAAHN Cn1cc(CN2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c2cc(Cl)ccc21 ZINC000013357476 555384315 /nfs/dbraw/zinc/38/43/15/555384315.db2.gz WDOPLFNPUUAXMA-UHFFFAOYSA-N 0 3 464.053 5.525 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(Cc4ccccc4)nn3cnc1O2 ZINC000009583791 555392008 /nfs/dbraw/zinc/39/20/08/555392008.db2.gz HPSNPUVFJPJBMQ-RUZDIDTESA-N 0 3 470.536 5.495 50 0 JKAAHN CN(CCCNC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C)Cc1ccccc1 ZINC000009674061 555398621 /nfs/dbraw/zinc/39/86/21/555398621.db2.gz LBIPCWJBYFOMQB-UHFFFAOYSA-N 0 3 484.644 5.250 50 0 JKAAHN Cc1cc2c(cc1S(=O)(=O)NCc1ccc(CN3CCCCCC3)o1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685628 555414204 /nfs/dbraw/zinc/41/42/04/555414204.db2.gz CMOKPUMYQPCFHD-UHFFFAOYSA-N 0 3 497.661 5.079 50 0 JKAAHN CN(CCCNC(=O)CSc1c2cc(Cl)ccc2nc2c1CCCC2)Cc1ccccc1 ZINC000009693739 555422942 /nfs/dbraw/zinc/42/29/42/555422942.db2.gz RDQVANXHFDRMLY-UHFFFAOYSA-N 0 3 468.066 5.497 50 0 JKAAHN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCCN1CCc2ccccc2C1 ZINC000009693757 555422965 /nfs/dbraw/zinc/42/29/65/555422965.db2.gz DXPWYBRXRNQPQQ-UHFFFAOYSA-N 0 3 480.077 5.424 50 0 JKAAHN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000009609300 555437681 /nfs/dbraw/zinc/43/76/81/555437681.db2.gz UVQNSDFGJIQWDI-UHFFFAOYSA-N 0 3 495.671 5.017 50 0 JKAAHN COc1ccc(Nc2c3cc(NC(=O)c4ccccc4Cl)ccc3nc3c2CCCC3)cc1OC ZINC000009612248 555444894 /nfs/dbraw/zinc/44/48/94/555444894.db2.gz YQTFGBNNSDVSOL-UHFFFAOYSA-N 0 3 487.987 6.780 50 0 JKAAHN O=C(NCCc1c[nH]c2ccccc12)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000009763593 555489145 /nfs/dbraw/zinc/48/91/45/555489145.db2.gz LUKKIMKSWQFBDZ-UHFFFAOYSA-N 0 3 467.613 5.318 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(COc4ccc(C)cc4)nn3cnc1O2 ZINC000013554299 555493256 /nfs/dbraw/zinc/49/32/56/555493256.db2.gz UVPDAKIGMKAPFW-DEOSSOPVSA-N 0 3 490.523 5.385 50 0 JKAAHN Cc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccccc1)c1c3nc(-c4cccnc4)nn3cnc1O2 ZINC000013556003 555493659 /nfs/dbraw/zinc/49/36/59/555493659.db2.gz OJZLLAMQPJDCEV-QFIPXVFZSA-N 0 3 491.942 5.620 50 0 JKAAHN O[C@H](CNCc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000013563666 555498712 /nfs/dbraw/zinc/49/87/12/555498712.db2.gz KFFZTNPHTGLILJ-GOSISDBHSA-N 0 3 488.223 5.470 50 0 JKAAHN Cc1cccc2nc(-c3ccccc3)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000019890547 555529896 /nfs/dbraw/zinc/52/98/96/555529896.db2.gz CEPSOMAHMBIBMJ-UHFFFAOYSA-N 0 3 470.620 6.517 50 0 JKAAHN CCCC(CCC)C(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCN(C)CC1)c1ccccc1CC2 ZINC000019893170 555531310 /nfs/dbraw/zinc/53/13/10/555531310.db2.gz QKVCVVOYWQFGNS-UHFFFAOYSA-N 0 3 490.692 5.242 50 0 biogenic JKAAHN Cc1cc(I)ccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019897184 555532946 /nfs/dbraw/zinc/53/29/46/555532946.db2.gz WIOFTFFTYUOOMF-UHFFFAOYSA-N 0 3 482.365 5.410 50 0 JKAAHN O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(CCc2ccccc2)CC1 ZINC000019908807 555536745 /nfs/dbraw/zinc/53/67/45/555536745.db2.gz FXOUHSZKPXSEEX-HSZRJFAPSA-N 0 3 482.455 5.323 50 0 JKAAHN Cc1ccc(CNC(=O)C2CCN(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)cc1 ZINC000009849612 555551681 /nfs/dbraw/zinc/55/16/81/555551681.db2.gz NCJQCKHALSDGRB-UHFFFAOYSA-N 0 3 450.667 5.824 50 0 JKAAHN CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000009849561 555551760 /nfs/dbraw/zinc/55/17/60/555551760.db2.gz RFSYPAFDOMROQE-UHFFFAOYSA-N 0 3 456.630 6.520 50 0 JKAAHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000019962171 555573365 /nfs/dbraw/zinc/57/33/65/555573365.db2.gz PNRPUZODMYFKII-QFIPXVFZSA-N 0 3 478.474 5.214 50 0 JKAAHN O=C1c2cccc3cccc(c32)C(=O)N1CCCN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020028395 555603798 /nfs/dbraw/zinc/60/37/98/555603798.db2.gz GIHPONYJEVZUJM-UHFFFAOYSA-N 0 3 487.603 5.214 50 0 JKAAHN Clc1ccc(C(c2ccc(Cl)cc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000020032646 555607801 /nfs/dbraw/zinc/60/78/01/555607801.db2.gz DNDVSDJIYJJIIE-UHFFFAOYSA-N 0 3 478.467 6.815 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000013748275 555607913 /nfs/dbraw/zinc/60/79/13/555607913.db2.gz DXAKBAZQJKEEPE-QHAWAJNXSA-N 0 3 483.749 5.154 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000013749617 555608468 /nfs/dbraw/zinc/60/84/68/555608468.db2.gz BPYRSUOIWUFAKD-SFHLNBCPSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000013759169 555612247 /nfs/dbraw/zinc/61/22/47/555612247.db2.gz QUENEMRYTACVHE-DSNGMDLFSA-N 0 3 489.358 6.198 50 0 JKAAHN CCN(CC)CCN(C(=O)Cc1cccc2ccccc21)c1nc2cc3c(cc2s1)OCO3 ZINC000010066883 555614131 /nfs/dbraw/zinc/61/41/31/555614131.db2.gz QZDOBMLKQDNPCL-UHFFFAOYSA-N 0 3 461.587 5.096 50 0 JKAAHN CCN(CC)CCN(C(=O)c1cc(Cl)sc1Cl)c1nc2cc3c(cc2s1)OCCO3 ZINC000010066938 555614329 /nfs/dbraw/zinc/61/43/29/555614329.db2.gz WAAFHDGDTWFRPD-UHFFFAOYSA-N 0 3 486.446 5.424 50 0 JKAAHN Cc1cccc(N2CCN(CCCNc3ncnc4onc(-c5ccc(Cl)cc5)c43)C[C@H]2C)c1 ZINC000013809684 555624000 /nfs/dbraw/zinc/62/40/00/555624000.db2.gz XSEHDBZUHIAJIP-LJQANCHMSA-N 0 3 477.012 5.259 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(C(F)(F)F)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013810981 555626499 /nfs/dbraw/zinc/62/64/99/555626499.db2.gz IDXWPVHIESARKE-NJDAHSKKSA-N 0 3 472.850 5.410 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(C(F)(F)F)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013810982 555626519 /nfs/dbraw/zinc/62/65/19/555626519.db2.gz IDXWPVHIESARKE-QHAWAJNXSA-N 0 3 472.850 5.410 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000013811371 555627753 /nfs/dbraw/zinc/62/77/53/555627753.db2.gz KZPNSPAEJZSXQI-QHAWAJNXSA-N 0 3 490.840 5.549 50 0 JKAAHN Cc1ccc2ccccc2c1CN1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000020080956 555629802 /nfs/dbraw/zinc/62/98/02/555629802.db2.gz XGTSUEHZWRNADV-UHFFFAOYSA-N 0 3 485.056 6.796 50 0 JKAAHN C[C@H](CCc1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1OC1CCN(Cc2ccccc2)CC1 ZINC000013896780 555644289 /nfs/dbraw/zinc/64/42/89/555644289.db2.gz AXGWTWRIKVAAQZ-WVXBCFDCSA-N 0 3 458.646 5.728 50 0 JKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2ccc(Br)cc2)c1 ZINC000020112902 555650663 /nfs/dbraw/zinc/65/06/63/555650663.db2.gz XWXIBZTZTSLCSL-VWLOTQADSA-N 0 3 493.401 5.762 50 0 biogenic JKAAHN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020123816 555655468 /nfs/dbraw/zinc/65/54/68/555655468.db2.gz BGIJYLGQMUUEHI-UHFFFAOYSA-N 0 3 485.480 6.215 50 0 JKAAHN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020158687 555676548 /nfs/dbraw/zinc/67/65/48/555676548.db2.gz BSCGVOKSECGGMD-UHFFFAOYSA-N 0 3 478.661 7.098 50 0 JKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179254 555684702 /nfs/dbraw/zinc/68/47/02/555684702.db2.gz KSUJCBMNXBAIDV-IVRBHCBNSA-N 0 3 499.586 5.007 50 0 JKAAHN O=C(NC1CCN(C2CC2)CC1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000014201073 555732988 /nfs/dbraw/zinc/73/29/88/555732988.db2.gz RITNTFIKEIDDJG-UHFFFAOYSA-N 0 3 450.380 5.021 50 0 JKAAHN CCN(CC)[C@H](CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1cccc(OC)c1 ZINC000010917465 555747371 /nfs/dbraw/zinc/74/73/71/555747371.db2.gz HOZKWQQNIHEQBG-JOCHJYFZSA-N 0 3 486.037 5.475 50 0 JKAAHN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)N3CCN(C4CCCCC4)CC3)c(C)c12 ZINC000020282870 555752698 /nfs/dbraw/zinc/75/26/98/555752698.db2.gz BQSNVMYBHGNSHJ-UHFFFAOYSA-N 0 3 473.665 5.064 50 0 JKAAHN Cc1c(Cl)ccc2c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc(-c3ccccn3)nc12 ZINC000020295530 555763753 /nfs/dbraw/zinc/76/37/53/555763753.db2.gz LJAAGFHNENKLCW-UHFFFAOYSA-N 0 3 471.004 5.653 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000011666663 555797167 /nfs/dbraw/zinc/79/71/67/555797167.db2.gz YZAWMMKIZCUHBP-NJDAHSKKSA-N 0 3 490.840 5.549 50 0 JKAAHN COc1cccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)c1 ZINC000020532141 555799987 /nfs/dbraw/zinc/79/99/87/555799987.db2.gz LTRSVZGNWJWWSU-QFIPXVFZSA-N 0 3 466.651 5.834 50 0 JKAAHN COc1cccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)c1 ZINC000020532142 555800149 /nfs/dbraw/zinc/80/01/49/555800149.db2.gz LTRSVZGNWJWWSU-JOCHJYFZSA-N 0 3 466.651 5.834 50 0 JKAAHN COc1ccc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)cc1OC ZINC000020532153 555800433 /nfs/dbraw/zinc/80/04/33/555800433.db2.gz PPOPYDUXXZFXLX-NRFANRHFSA-N 0 3 496.677 5.843 50 0 JKAAHN Cc1ccccc1NC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020532160 555800487 /nfs/dbraw/zinc/80/04/87/555800487.db2.gz ALTJTHKHIUKWOT-QFIPXVFZSA-N 0 3 450.652 6.134 50 0 JKAAHN CCOc1ccc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)cc1 ZINC000020532168 555800497 /nfs/dbraw/zinc/80/04/97/555800497.db2.gz WVKQDDLCRPSULR-HSZRJFAPSA-N 0 3 480.678 6.224 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccccc2OC)C1 ZINC000020532184 555800798 /nfs/dbraw/zinc/80/07/98/555800798.db2.gz APVITPSWJNWBGP-QFIPXVFZSA-N 0 3 480.678 6.224 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2cccc(C)c2)C1 ZINC000020532198 555800811 /nfs/dbraw/zinc/80/08/11/555800811.db2.gz BSALCXISIGFOLA-QHCPKHFHSA-N 0 3 464.679 6.524 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000020532200 555800850 /nfs/dbraw/zinc/80/08/50/555800850.db2.gz JUMQZWKSRUPXDG-DEOSSOPVSA-N 0 3 478.706 6.833 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000020532192 555800859 /nfs/dbraw/zinc/80/08/59/555800859.db2.gz XSHYPKYSYHEEBF-DEOSSOPVSA-N 0 3 478.706 6.833 50 0 JKAAHN CCOc1ccccc1NC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532196 555800903 /nfs/dbraw/zinc/80/09/03/555800903.db2.gz UKAGFFZDDURIDO-HSZRJFAPSA-N 0 3 494.705 6.615 50 0 JKAAHN CCOc1ccccc1NC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532195 555800916 /nfs/dbraw/zinc/80/09/16/555800916.db2.gz UKAGFFZDDURIDO-QHCPKHFHSA-N 0 3 494.705 6.615 50 0 JKAAHN COc1ccc(C)cc1NC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020532176 555801059 /nfs/dbraw/zinc/80/10/59/555801059.db2.gz FZMSNDRRYKMKQY-OAQYLSRUSA-N 0 3 480.678 6.143 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000020532241 555801226 /nfs/dbraw/zinc/80/12/26/555801226.db2.gz QNNJYOGLWGRLSL-OAHLLOKOSA-N 0 3 462.541 5.818 50 0 JKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccccc2Br)C1 ZINC000020532235 555801412 /nfs/dbraw/zinc/80/14/12/555801412.db2.gz YMGCQDIFFZUTCU-OAHLLOKOSA-N 0 3 473.440 5.562 50 0 JKAAHN O=C(Nc1ccccc1Br)N(Cc1ccco1)C1CCN(Cc2ccccc2)CC1 ZINC000020532277 555801672 /nfs/dbraw/zinc/80/16/72/555801672.db2.gz ZGXDVBMAEFLPKL-UHFFFAOYSA-N 0 3 468.395 5.741 50 0 JKAAHN COC(=O)c1ccc(Cl)cc1NC(=O)N(Cc1ccc(C)o1)C1CCN(Cc2ccccc2)CC1 ZINC000020532299 555801682 /nfs/dbraw/zinc/80/16/82/555801682.db2.gz JJERSLVZKZQOIP-UHFFFAOYSA-N 0 3 496.007 5.727 50 0 JKAAHN O=C(Nc1ccccc1C(F)(F)F)N(Cc1ccco1)C1CCN(Cc2ccccc2)CC1 ZINC000020532279 555801729 /nfs/dbraw/zinc/80/17/29/555801729.db2.gz KUGZPYSEFOXFQE-UHFFFAOYSA-N 0 3 457.496 5.997 50 0 JKAAHN CSc1ccc2cc(CNCCn3nc(C)cc3C)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000011783049 555814016 /nfs/dbraw/zinc/81/40/16/555814016.db2.gz NEEPCTGFNYEDGS-UHFFFAOYSA-N 0 3 467.038 5.028 50 0 JKAAHN O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CCN(Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000011784789 555816556 /nfs/dbraw/zinc/81/65/56/555816556.db2.gz HBMQYOUOBUQHNH-AREMUKBSSA-N 0 3 486.635 5.446 50 0 JKAAHN CSc1ccc2cc(CN(CCN(C)C)C(=O)c3ccccc3F)c(-c3cccs3)nc2c1 ZINC000011785965 555818588 /nfs/dbraw/zinc/81/85/88/555818588.db2.gz GRNDDPKCFFREGL-UHFFFAOYSA-N 0 3 479.646 6.028 50 0 JKAAHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020567867 555821019 /nfs/dbraw/zinc/82/10/19/555821019.db2.gz MITOFCPPIKPOCV-UHFFFAOYSA-N 0 3 479.546 5.226 50 0 JKAAHN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC12CCN(Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000011789690 555824981 /nfs/dbraw/zinc/82/49/81/555824981.db2.gz DVOJCDQCOPDZJD-QFIPXVFZSA-N 0 3 468.523 5.014 50 0 JKAAHN COc1ccc(-c2ccc(C(=O)NC[C@H]3CCC4(CCN(Cc5ccc(F)cc5)CC4)O3)o2)cc1 ZINC000011841352 555833889 /nfs/dbraw/zinc/83/38/89/555833889.db2.gz PREQPLRFSHWLDW-XMMPIXPASA-N 0 3 478.564 5.038 50 0 JKAAHN O=C(NCc1ccccc1C(F)(F)F)[C@H]1CC12CCN(Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000011841860 555834539 /nfs/dbraw/zinc/83/45/39/555834539.db2.gz NMLKHYRATKCYRU-JOCHJYFZSA-N 0 3 486.513 5.153 50 0 JKAAHN CC[C@@H](C)N(CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccco1 ZINC000020597933 555840210 /nfs/dbraw/zinc/84/02/10/555840210.db2.gz BLGLDDVWUIDYEW-HXUWFJFHSA-N 0 3 488.632 5.147 50 0 JKAAHN CN(Cc1cccs1)Cc1ccc(OCC[C@H]2CCCCN2C(=O)C2CCCCC2)cc1 ZINC000011868209 555845214 /nfs/dbraw/zinc/84/52/14/555845214.db2.gz NHFIKGJTKVFBJF-XMMPIXPASA-N 0 3 454.680 6.110 50 0 JKAAHN CSc1ccc2cc(CNC[C@H]3COCCO3)c(OCc3cccc(C(F)(F)F)c3)nc2c1 ZINC000015009218 555853347 /nfs/dbraw/zinc/85/33/47/555853347.db2.gz JAPAXWDRWIOKFQ-FQEVSTJZSA-N 0 3 478.536 5.060 50 0 JKAAHN O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000011905284 555853432 /nfs/dbraw/zinc/85/34/32/555853432.db2.gz NXBOPWZYVXVNJR-LJQANCHMSA-N 0 3 474.424 5.513 50 0 JKAAHN CSc1ccc(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)cc1 ZINC000011909409 555856355 /nfs/dbraw/zinc/85/63/55/555856355.db2.gz OFSSATNUSVMOSQ-AREMUKBSSA-N 0 3 476.690 5.046 50 0 JKAAHN Cc1ccn(CCC(=O)N(CCN(C)C)Cc2cc3cccc(C)c3nc2-c2cccc(C)c2)n1 ZINC000011912571 555861323 /nfs/dbraw/zinc/86/13/23/555861323.db2.gz VTVSEFXMGAMZBD-UHFFFAOYSA-N 0 3 469.633 5.004 50 0 JKAAHN CN(CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)C[C@@H](c1ccco1)c1ccccc1)CCO2 ZINC000011912775 555861955 /nfs/dbraw/zinc/86/19/55/555861955.db2.gz RLYYDKBHIIGWAF-MUUNZHRXSA-N 0 3 495.623 5.292 50 0 JKAAHN Cc1ccccc1-c1ccc(CN2CCC3(C[C@H]3C(=O)NCCCc3ccncc3)CC2)cc1 ZINC000011913403 555863098 /nfs/dbraw/zinc/86/30/98/555863098.db2.gz VJHBRZKQUUZZDF-NDEPHWFRSA-N 0 3 453.630 5.408 50 0 JKAAHN CCn1c2ccccc2c2cc(CN3CCN(C4CCC(c5ccccc5)CC4)CC3)ccc21 ZINC000022031816 555864935 /nfs/dbraw/zinc/86/49/35/555864935.db2.gz FIZUIKHDYZKDMY-UHFFFAOYSA-N 0 3 451.658 6.658 50 0 JKAAHN CN(Cc1cscn1)C(=O)[C@H]1CC12CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000015069714 555869550 /nfs/dbraw/zinc/86/95/50/555869550.db2.gz PNWNXLNWCOZCIK-RUZDIDTESA-N 0 3 460.647 5.172 50 0 JKAAHN O=C(c1cc2cc(C3(O)CCN(Cc4cccs4)CC3)ccc2o1)N1CCc2ccccc2C1 ZINC000011978413 555875760 /nfs/dbraw/zinc/87/57/60/555875760.db2.gz NKRLJTOIKSXSJO-UHFFFAOYSA-N 0 3 472.610 5.176 50 0 JKAAHN CCn1nc(C)c(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)c1C ZINC000012024496 555885695 /nfs/dbraw/zinc/88/56/95/555885695.db2.gz SJZBCPCCKCUITD-UHFFFAOYSA-N 0 3 451.014 5.691 50 0 JKAAHN CN1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)c2ccoc2)C3)C1 ZINC000012040024 555892549 /nfs/dbraw/zinc/89/25/49/555892549.db2.gz NOIGTJWBOACGCU-LJQANCHMSA-N 0 3 480.992 5.355 50 0 JKAAHN Cn1c(SC[C@@H]2CCCO2)nnc1C1CCN(Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC000012130573 555911648 /nfs/dbraw/zinc/91/16/48/555911648.db2.gz LREHISQULGNVLJ-NRFANRHFSA-N 0 3 473.042 5.379 50 0 JKAAHN CCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3ccc(Cc4ccccc4)cc3)nc21 ZINC000012140863 555919875 /nfs/dbraw/zinc/91/98/75/555919875.db2.gz RJBZKPUXRNNCMV-UHFFFAOYSA-N 0 3 487.669 6.274 50 0 JKAAHN CCCCCOc1cccc(C(=O)N(CCN(CC)CC)c2nc3cc(C)cc(C)c3s2)c1 ZINC000012140901 555920074 /nfs/dbraw/zinc/92/00/74/555920074.db2.gz IMIMKEWIPVUQMN-UHFFFAOYSA-N 0 3 467.679 6.471 50 0 JKAAHN CN(Cc1ccc(OC[C@H]2CCCN(C(=O)Cc3ccsc3)C2)cc1)Cc1cccc2ccccc21 ZINC000012148889 555920621 /nfs/dbraw/zinc/92/06/21/555920621.db2.gz XDDBBAJMNJNTHO-SANMLTNESA-N 0 3 498.692 6.393 50 0 JKAAHN Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CCN(Cc2cccc3cccnc32)CC1 ZINC000012149347 555921298 /nfs/dbraw/zinc/92/12/98/555921298.db2.gz VFWSJBWPUREKQN-MUUNZHRXSA-N 0 3 485.603 5.871 50 0 JKAAHN C[C@@H]1CCCN(Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2ccccc2F)C1 ZINC000012150146 555922144 /nfs/dbraw/zinc/92/21/44/555922144.db2.gz WRNZSXLXMIAINJ-HXUWFJFHSA-N 0 3 490.575 5.149 50 0 JKAAHN COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CCN(Cc3ccc(C)s3)CC2)c1 ZINC000012185034 555936403 /nfs/dbraw/zinc/93/64/03/555936403.db2.gz AGZGACPMXXKKKL-QFIPXVFZSA-N 0 3 484.691 5.297 50 0 JKAAHN C[C@@H]1CCCCN1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678262 555943332 /nfs/dbraw/zinc/94/33/32/555943332.db2.gz ZPRQUIUBDZFRCD-MNNSJKJDSA-N 0 3 494.680 5.066 50 0 JKAAHN Cc1ccc(C)c(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3)CC2)c1 ZINC000015679713 555946601 /nfs/dbraw/zinc/94/66/01/555946601.db2.gz AOIBELWFVUWSGT-UHFFFAOYSA-N 0 3 471.601 5.731 50 0 JKAAHN Cc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2)CC1 ZINC000015679716 555946621 /nfs/dbraw/zinc/94/66/21/555946621.db2.gz YUVAERVSXXPPCX-UHFFFAOYSA-N 0 3 457.574 5.422 50 0 JKAAHN O=C(Nc1cc(F)ccc1F)N(Cc1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2)CC1 ZINC000015679720 555946876 /nfs/dbraw/zinc/94/68/76/555946876.db2.gz JWBDUKICPIIANA-UHFFFAOYSA-N 0 3 479.527 5.392 50 0 JKAAHN COc1ccc([C@H](CNCc2ccc(OCc3csc(C)n3)c(OC)c2)N2CCCCC2)cc1 ZINC000022928674 555979793 /nfs/dbraw/zinc/97/97/93/555979793.db2.gz DXDBVCJNGBXYQX-VWLOTQADSA-N 0 3 481.662 5.365 50 0 JKAAHN Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(CN(C)CCc4ccccn4)cc3)C2)s1 ZINC000012455957 555981655 /nfs/dbraw/zinc/98/16/55/555981655.db2.gz XFGMOUCVJJRZOG-QHCPKHFHSA-N 0 3 463.647 5.057 50 0 JKAAHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccc(C(F)(F)F)c2)N2C[C@H](C)C[C@@H](C)C2)c1C ZINC000012485535 555987252 /nfs/dbraw/zinc/98/72/52/555987252.db2.gz YIYHGBBJAPVMAK-LNPFQXMTSA-N 0 3 490.591 7.296 50 0 JKAAHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc3c(c2)OCCO3)N2C[C@@H](C)C[C@H](C)C2)c1C ZINC000012485518 555987353 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/nfs/dbraw/zinc/24/60/10/195246010.db2.gz VKAMDNMSJQALFN-HSZRJFAPSA-N 0 3 450.542 5.314 50 0 JKAAHN CCCCN(CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000020920310 195247748 /nfs/dbraw/zinc/24/77/48/195247748.db2.gz MYSHMBHRRSVAHJ-GDLZYMKVSA-N 0 3 496.696 5.314 50 0 JKAAHN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)cc12 ZINC000020985370 195260496 /nfs/dbraw/zinc/26/04/96/195260496.db2.gz YCVPLWKRUXCISC-UHFFFAOYSA-N 0 3 479.668 5.991 50 0 JKAAHN COc1ccc(-c2csc3ncnc(NCC4CCN(Cc5cccc(F)c5)CC4)c23)cc1 ZINC000021049190 195272249 /nfs/dbraw/zinc/27/22/49/195272249.db2.gz NNDNSSIQLUMCOA-UHFFFAOYSA-N 0 3 462.594 5.830 50 0 JKAAHN COc1ccccc1CN(C(=O)c1cc2cc3cc(C)ccc3nc2s1)C1CCN(C)CC1 ZINC000021087496 195273877 /nfs/dbraw/zinc/27/38/77/195273877.db2.gz PIERPURGSBAGPG-UHFFFAOYSA-N 0 3 459.615 5.503 50 0 JKAAHN Cc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccc(C)cc3)CC2)cc1 ZINC000021116223 195278400 /nfs/dbraw/zinc/27/84/00/195278400.db2.gz PGTSOKDOPCMWAU-UHFFFAOYSA-N 0 3 465.641 5.835 50 0 JKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)cc3ccccc32)cc1 ZINC000021116193 195278458 /nfs/dbraw/zinc/27/84/58/195278458.db2.gz VEKMXZAIHXXLNA-UHFFFAOYSA-N 0 3 486.059 6.180 50 0 JKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4cccs4)CC3)cc3ccccc32)cc1 ZINC000021116278 195278897 /nfs/dbraw/zinc/27/88/97/195278897.db2.gz QGOQFSBDCNNLAJ-UHFFFAOYSA-N 0 3 457.643 5.588 50 0 JKAAHN CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCCN2CCCCC2)C3=O)s1 ZINC000021526028 195304859 /nfs/dbraw/zinc/30/48/59/195304859.db2.gz QRSVNOBDVSSHET-NDEPHWFRSA-N 0 3 498.737 5.195 50 0 JKAAHN COc1ccccc1C(=O)Nc1ccc2[nH]c(C)c([C@H](c3ccccn3)N3CCCCC3)c2c1 ZINC000021805862 195323459 /nfs/dbraw/zinc/32/34/59/195323459.db2.gz HMTHJPMWHZIDCU-MHZLTWQESA-N 0 3 454.574 5.708 50 0 JKAAHN O=C(Nc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1)N1CCCCc2ccccc21 ZINC000021916171 195332325 /nfs/dbraw/zinc/33/23/25/195332325.db2.gz CWOSPFNAABHDNX-UHFFFAOYSA-N 0 3 460.622 5.152 50 0 JKAAHN Cc1c(NC(=O)[C@@H](C)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057503171 195348674 /nfs/dbraw/zinc/34/86/74/195348674.db2.gz FWWQCXWXLHPWNX-DVECYGJZSA-N 0 3 462.638 5.096 50 0 JKAAHN CCCCOc1ccc([C@](C)(O)[C@@H](CN2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000058480178 195379868 /nfs/dbraw/zinc/37/98/68/195379868.db2.gz CGRKRCYATSPLET-FIBWVYCGSA-N 0 3 476.636 5.818 50 0 JKAAHN CCCCOc1ccc([C@@](C)(O)[C@@H](CN2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000058480180 195379951 /nfs/dbraw/zinc/37/99/51/195379951.db2.gz CGRKRCYATSPLET-BHBYDHKZSA-N 0 3 476.636 5.818 50 0 JKAAHN CCCCOc1ccc([C@](C)(O)[C@H](CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000058480188 195380316 /nfs/dbraw/zinc/38/03/16/195380316.db2.gz LYPBMNMXFVRGJH-IHLOFXLRSA-N 0 3 476.636 5.818 50 0 JKAAHN Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(CN4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000058312984 195377337 /nfs/dbraw/zinc/37/73/37/195377337.db2.gz VGUNBNCPIHBVCR-SZPZYZBQSA-N 0 3 473.617 5.278 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000064578543 195443536 /nfs/dbraw/zinc/44/35/36/195443536.db2.gz FYFAJDHKEBPKCD-UHFFFAOYSA-N 0 3 464.569 5.330 50 0 JKAAHN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F)NCCN1CCCC1 ZINC000096275378 130011400 /nfs/dbraw/zinc/01/14/00/130011400.db2.gz MOCXFLONHLPSAK-SANMLTNESA-N 0 3 469.604 5.563 50 0 JKAAHN COc1ccc([C@@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000096276440 130014189 /nfs/dbraw/zinc/01/41/89/130014189.db2.gz QHFIKSBDFLVQRQ-MUUNZHRXSA-N 0 3 499.630 5.571 50 0 JKAAHN COc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCCC3)c3ccccc3F)c3ccccc32)cc1 ZINC000096277077 130016402 /nfs/dbraw/zinc/01/64/02/130016402.db2.gz XELJYUZJEAVONJ-HHHXNRCGSA-N 0 3 499.630 5.571 50 0 JKAAHN Cc1ccc(Cn2cc([C@H](CCc3ccccc3)CC(=O)NCCN3CCCC3)c3ccccc32)cc1 ZINC000096277367 130017052 /nfs/dbraw/zinc/01/70/52/130017052.db2.gz OLPRGONHQSXUPG-GDLZYMKVSA-N 0 3 493.695 6.317 50 0 JKAAHN O=C(CCn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21)NCCN1CCCC1 ZINC000096291119 130042300 /nfs/dbraw/zinc/04/23/00/130042300.db2.gz JNYRVJHPDZBPIR-UHFFFAOYSA-N 0 3 479.839 5.189 50 0 JKAAHN CC(=O)c1ccc(C(=O)N2CCOc3ccc(CN4CCC(OCc5ccccc5)CC4)cc3C2)cc1 ZINC000014997162 518310031 /nfs/dbraw/zinc/31/00/31/518310031.db2.gz AAEOWXPBEUOJLA-UHFFFAOYSA-N 0 3 498.623 5.105 50 0 JKAAHN C/C=C(\C)CN1CCC(c2nnc(SCc3cccc(F)c3)n2-c2cccc(OC)c2)CC1 ZINC000012512569 518483989 /nfs/dbraw/zinc/48/39/89/518483989.db2.gz ISDNMSYJYYJQFL-RMOCHZDMSA-N 0 3 466.626 5.853 50 0 JKAAHN CC(=O)Nc1ccc(CN2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)cc1 ZINC000012244619 519715831 /nfs/dbraw/zinc/71/58/31/519715831.db2.gz SIHMNFOFDMLVNX-AREMUKBSSA-N 0 3 493.648 5.441 50 0 JKAAHN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036151094 519717785 /nfs/dbraw/zinc/71/77/85/519717785.db2.gz PAPKPJYXZMJHEM-AREMUKBSSA-N 0 3 477.649 5.368 50 0 JKAAHN CC(C)CN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(F)cc1 ZINC000036167730 519718079 /nfs/dbraw/zinc/71/80/79/519718079.db2.gz FACAJWWOUWHPLL-UHFFFAOYSA-N 0 3 479.542 6.639 50 0 JKAAHN CC(C)COC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307307 519755587 /nfs/dbraw/zinc/75/55/87/519755587.db2.gz WQXSNUSSZLTFRQ-DEOSSOPVSA-N 0 3 481.612 5.264 50 0 JKAAHN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306868 519757636 /nfs/dbraw/zinc/75/76/36/519757636.db2.gz ASVOQDGCCQPJOT-HSZRJFAPSA-N 0 3 481.612 5.264 50 0 JKAAHN CC(C)OCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055538 519763127 /nfs/dbraw/zinc/76/31/27/519763127.db2.gz UBOQNTWQSRXAMV-UHFFFAOYSA-N 0 3 482.068 5.486 50 0 JKAAHN CC(C)OC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036307552 519771542 /nfs/dbraw/zinc/77/15/42/519771542.db2.gz YIUBKMWAPNUWTO-QFIPXVFZSA-N 0 3 455.574 5.015 50 0 JKAAHN CC(C)OC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(C)C ZINC000036306770 519771553 /nfs/dbraw/zinc/77/15/53/519771553.db2.gz UGAMHCAVZQSIQY-NRFANRHFSA-N 0 3 455.574 5.015 50 0 JKAAHN CC(C)OC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036307039 519771914 /nfs/dbraw/zinc/77/19/14/519771914.db2.gz AVPFPVFSERAOCT-QFIPXVFZSA-N 0 3 455.574 5.015 50 0 JKAAHN CC(C)OC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000036307554 519773798 /nfs/dbraw/zinc/77/37/98/519773798.db2.gz YIUBKMWAPNUWTO-JOCHJYFZSA-N 0 3 455.574 5.015 50 0 JKAAHN CCCN1CCC(N(C(=O)c2cccc(C(F)(F)F)c2)c2ccc3[nH]c(C(C)(C)C)cc3c2)CC1 ZINC000016080048 519843087 /nfs/dbraw/zinc/84/30/87/519843087.db2.gz UJOPRRIECQAGMX-UHFFFAOYSA-N 0 3 485.594 7.005 50 0 JKAAHN CCCN1CCC(N(C(=O)c2ccc(NC(=O)c3cc(Cl)nc(Cl)c3)cc2)C2CC2)CC1 ZINC000016080110 519843315 /nfs/dbraw/zinc/84/33/15/519843315.db2.gz GMBCZENGSCAOHL-UHFFFAOYSA-N 0 3 475.420 5.120 50 0 JKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc4ccc(OC)cc4nc3s2)cc1 ZINC000020178783 520692755 /nfs/dbraw/zinc/69/27/55/520692755.db2.gz ACQJVDZENIHSDK-UHFFFAOYSA-N 0 3 477.586 5.209 50 0 JKAAHN CCOc1cc(CN2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)ccc1O ZINC000012466621 520697159 /nfs/dbraw/zinc/69/71/59/520697159.db2.gz QVHKNVXJOXBXSG-UHFFFAOYSA-N 0 3 472.629 5.274 50 0 JKAAHN CCN(CC)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(F)c1C ZINC000012281167 520742102 /nfs/dbraw/zinc/74/21/02/520742102.db2.gz UAROBXWHNUMLRD-UHFFFAOYSA-N 0 3 464.537 5.389 50 0 JKAAHN CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)CC1CC1 ZINC000036309248 520797748 /nfs/dbraw/zinc/79/77/48/520797748.db2.gz AVTYXMFEUXFNJY-BVAGGSTKSA-N 0 3 484.706 5.249 50 0 JKAAHN CCC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036309236 520798595 /nfs/dbraw/zinc/79/85/95/520798595.db2.gz JTWZXYGGMYKXJE-RDGATRHJSA-N 0 3 472.695 5.249 50 0 JKAAHN CCC[C@@H](O)CN(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036307935 520798738 /nfs/dbraw/zinc/79/87/38/520798738.db2.gz LBAIHUGUSFCJNI-HSZRJFAPSA-N 0 3 465.613 6.300 50 0 JKAAHN CCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000008590462 520899304 /nfs/dbraw/zinc/89/93/04/520899304.db2.gz ZSWQAFFTTQLJQT-SANMLTNESA-N 0 3 492.616 5.176 50 0 JKAAHN CCCCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC ZINC000016752936 520899379 /nfs/dbraw/zinc/89/93/79/520899379.db2.gz JRKAGMNHFZCKME-VWLOTQADSA-N 0 3 496.579 5.007 50 0 JKAAHN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCN(C)C)C(=O)Nc1ccc(C)cc1 ZINC000036249635 520936269 /nfs/dbraw/zinc/93/62/69/520936269.db2.gz WJWGLQQOMPQSRH-UHFFFAOYSA-N 0 3 467.589 5.231 50 0 JKAAHN CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCN4CCCCCC4)c3)C2)cc1 ZINC000033035224 521084098 /nfs/dbraw/zinc/08/40/98/521084098.db2.gz CYCBBXIBHOOWQX-RUZDIDTESA-N 0 3 492.664 5.103 50 0 JKAAHN CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCN4CCCCCC4)c3)C2)cc1 ZINC000033035226 521085427 /nfs/dbraw/zinc/08/54/27/521085427.db2.gz CYCBBXIBHOOWQX-VWLOTQADSA-N 0 3 492.664 5.103 50 0 JKAAHN CCC[C@H](O)CN(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036308020 521181131 /nfs/dbraw/zinc/18/11/31/521181131.db2.gz 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CCOc1ccccc1CN1CCC(c2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)CC1 ZINC000014990809 521485240 /nfs/dbraw/zinc/48/52/40/521485240.db2.gz FVEKKMTXPZWANJ-VWLOTQADSA-N 0 3 492.689 5.376 50 0 JKAAHN CCC(CC)C(=O)N1CCC(Oc2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000012455140 521488689 /nfs/dbraw/zinc/48/86/89/521488689.db2.gz IFILCRPDWSOHOB-UHFFFAOYSA-N 0 3 462.678 5.947 50 0 JKAAHN CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000014732656 521527965 /nfs/dbraw/zinc/52/79/65/521527965.db2.gz ADYYUYPJXRBVOK-UHFFFAOYSA-N 0 3 466.585 5.140 50 0 JKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179257 521657424 /nfs/dbraw/zinc/65/74/24/521657424.db2.gz KSUJCBMNXBAIDV-LKSMXUKOSA-N 0 3 499.586 5.007 50 0 JKAAHN CCN1CCC[C@H]1CNC(=O)c1sc2c(cnc3ccc(OC)cc23)c1-c1ccc(C)cc1 ZINC000045943796 521657821 /nfs/dbraw/zinc/65/78/21/521657821.db2.gz SKCQBJOMWICXMI-IBGZPJMESA-N 0 3 459.615 5.648 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)COCC(C)C 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O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000020522481 527531518 /nfs/dbraw/zinc/53/15/18/527531518.db2.gz PEUPXOSRVFBKIL-UHFFFAOYSA-N 0 3 479.580 5.067 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1 ZINC000033130432 527531589 /nfs/dbraw/zinc/53/15/89/527531589.db2.gz DPAOOOXZKFAFRF-UHFFFAOYSA-N 0 3 464.569 5.330 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305236 527536364 /nfs/dbraw/zinc/53/63/64/527536364.db2.gz CNQYJNPVBJZLOQ-HSZRJFAPSA-N 0 3 498.067 5.921 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)Cc2ccccc2)C2CC2)c1Oc1cccc(F)c1 ZINC000036307101 527538347 /nfs/dbraw/zinc/53/83/47/527538347.db2.gz DNACOQBMVFKDBL-RUZDIDTESA-N 0 3 471.576 5.587 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)Cc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307298 527538576 /nfs/dbraw/zinc/53/85/76/527538576.db2.gz QWGZUUXTAWFMCO-AREMUKBSSA-N 0 3 485.603 5.834 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)Cc2ccccc2)CC2CC2)c1Oc1ccc(F)cc1 ZINC000036307775 527538685 /nfs/dbraw/zinc/53/86/85/527538685.db2.gz NXNPEDUNMQAMML-AREMUKBSSA-N 0 3 485.603 5.834 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036304898 527551079 /nfs/dbraw/zinc/55/10/79/527551079.db2.gz HKNTUQHQLFCKCW-MUUNZHRXSA-N 0 3 481.640 6.097 50 0 JKAAHN OCCOc1cccc(CN2CCC(c3nc(C(F)(F)F)ncc3-c3cccc(F)c3)CC2)c1 ZINC000014960462 527558997 /nfs/dbraw/zinc/55/89/97/527558997.db2.gz UVKMVLIBNWZUKF-UHFFFAOYSA-N 0 3 475.486 5.052 50 0 JKAAHN O=C(NCCC1=CCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055461 527623209 /nfs/dbraw/zinc/62/32/09/527623209.db2.gz XVAIHDUVKUTBER-UHFFFAOYSA-N 0 3 455.646 5.908 50 0 JKAAHN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)NC1CCN(C2CC2)CC1 ZINC000009962035 527645430 /nfs/dbraw/zinc/64/54/30/527645430.db2.gz SROWUEQNOISKCM-JLHYYAGUSA-N 0 3 452.558 5.042 50 0 JKAAHN FC(F)(F)c1cc(/C=C\c2noc(-c3cccc(CN4CCCC4)c3)n2)cc(C(F)(F)F)c1 ZINC000008616535 527679256 /nfs/dbraw/zinc/67/92/56/527679256.db2.gz MWEKFJJUOYBHQB-SREVYHEPSA-N 0 3 467.413 6.540 50 0 JKAAHN FC(F)(F)c1cc(/C=C\c2noc(-c3ccccc3CN3CCCC3)n2)cc(C(F)(F)F)c1 ZINC000008616534 527679337 /nfs/dbraw/zinc/67/93/37/527679337.db2.gz NTVZMUXJSBXKDU-FPLPWBNLSA-N 0 3 467.413 6.540 50 0 JKAAHN O=C(CSc1nc2ccccc2[nH]1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000000667882 553743627 /nfs/dbraw/zinc/74/36/27/553743627.db2.gz VKUBIVGQEMFCCM-SANMLTNESA-N 0 3 484.669 6.577 50 0 JKAAHN CC(=O)c1c(-c2ccc(Br)cc2)nc2n(CCN3CCCCC3)c3ccccc3n12 ZINC000000716204 553768756 /nfs/dbraw/zinc/76/87/56/553768756.db2.gz PVXVNVCMFXNTFL-UHFFFAOYSA-N 0 3 465.395 5.407 50 0 JKAAHN CCOc1cc([C@H]2NCCc3c4cc(OC)ccc4[nH]c32)ccc1OCc1ccccc1Cl ZINC000001280439 553939796 /nfs/dbraw/zinc/93/97/96/553939796.db2.gz HXGLMENZPYKXFP-AREMUKBSSA-N 0 3 462.977 6.043 50 0 biogenic JKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000001825160 553992948 /nfs/dbraw/zinc/99/29/48/553992948.db2.gz OCPXRXSUTGWHTL-NDEPHWFRSA-N 0 3 475.032 7.076 50 0 biogenic JKAAHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000002177980 554078175 /nfs/dbraw/zinc/07/81/75/554078175.db2.gz KNGLIKQMCWDANR-HNNXBMFYSA-N 0 3 495.244 7.194 50 0 JKAAHN O=C(CCCCN1CCCCC1)c1ccc2c(c1)/C(=C/c1ccc3c(c1)OCO3)c1ccccc1-2 ZINC000002188605 554084614 /nfs/dbraw/zinc/08/46/14/554084614.db2.gz JHSDAYRDRGDIQU-OVVQPSECSA-N 0 3 465.593 6.824 50 0 JKAAHN CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000002214602 554097322 /nfs/dbraw/zinc/09/73/22/554097322.db2.gz KRALILBIWWDGRW-HSZRJFAPSA-N 0 3 470.525 6.415 50 0 JKAAHN O=C1c2oc3ccccc3c(=O)c2C(c2cccs2)N1c1nc2ccc(Cl)cc2s1 ZINC000002215224 554097550 /nfs/dbraw/zinc/09/75/50/554097550.db2.gz YYJOPERCHAKULV-SFHVURJKSA-N 0 3 450.928 5.867 50 0 JKAAHN COc1ccc2nc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4C3c3cccs3)sc2c1 ZINC000002242046 554109976 /nfs/dbraw/zinc/10/99/76/554109976.db2.gz IFJZGFZZFCONAH-FQEVSTJZSA-N 0 3 460.536 5.531 50 0 JKAAHN CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccs3)sc2c1 ZINC000002324796 554148844 /nfs/dbraw/zinc/14/88/44/554148844.db2.gz HGYCOMDDSZMKOW-HXUWFJFHSA-N 0 3 460.536 5.613 50 0 JKAAHN CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccs3)sc2c1 ZINC000002324794 554148894 /nfs/dbraw/zinc/14/88/94/554148894.db2.gz HGYCOMDDSZMKOW-FQEVSTJZSA-N 0 3 460.536 5.613 50 0 JKAAHN Cc1cc2c3c(c1)C(C)CC(C)(C)N3C(=O)C21SCC(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000002439059 554208678 /nfs/dbraw/zinc/20/86/78/554208678.db2.gz YOGRBDYBDHCTJQ-SONOPUAISA-N 0 3 484.621 6.353 50 0 JKAAHN Cc1ccc2oc3c(c(=O)c2c1)C(c1cccs1)N(c1nc2ccc(Cl)cc2s1)C3=O ZINC000002440740 554209610 /nfs/dbraw/zinc/20/96/10/554209610.db2.gz BSZWQJRAQANTTL-LJQANCHMSA-N 0 3 464.955 6.176 50 0 JKAAHN Cc1ccc2oc3c(c(=O)c2c1)C(c1cccs1)N(c1nc2ccc(Cl)cc2s1)C3=O ZINC000002440738 554209625 /nfs/dbraw/zinc/20/96/25/554209625.db2.gz BSZWQJRAQANTTL-IBGZPJMESA-N 0 3 464.955 6.176 50 0 JKAAHN O[C@@H](COc1c(Cl)cccc1Cl)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000002624231 554248199 /nfs/dbraw/zinc/24/81/99/554248199.db2.gz USAYHOLINZCYHF-HSZRJFAPSA-N 0 3 486.439 5.381 50 0 JKAAHN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(OC(F)F)cc2)N2CCC(C)CC2)c1C ZINC000002667942 554278955 /nfs/dbraw/zinc/27/89/55/554278955.db2.gz YTYUZCPKVOCSHM-JOCHJYFZSA-N 0 3 474.573 6.633 50 0 JKAAHN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000002768495 554335106 /nfs/dbraw/zinc/33/51/06/554335106.db2.gz USERZQKZDVSEQG-UHFFFAOYSA-N 0 3 470.016 6.258 50 0 JKAAHN O=C(Nc1sc2c(c1CN1CCC(Cc3ccccc3)CC1)CCCC2)c1ccccc1F ZINC000002889307 554407853 /nfs/dbraw/zinc/40/78/53/554407853.db2.gz BNQKNDWDNXGBCX-UHFFFAOYSA-N 0 3 462.634 6.473 50 0 JKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000003182922 554429008 /nfs/dbraw/zinc/42/90/08/554429008.db2.gz PADOVPMRAHXREZ-SHQCIBLASA-N 0 3 466.560 5.435 50 0 JKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000003204762 554430797 /nfs/dbraw/zinc/43/07/97/554430797.db2.gz XTAJNRYOMCJSHW-UHFFFAOYSA-N 0 3 488.613 5.352 50 0 JKAAHN COc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2c1 ZINC000006304539 554530599 /nfs/dbraw/zinc/53/05/99/554530599.db2.gz GITMYVHWOVKUFK-UHFFFAOYSA-N 0 3 495.579 5.034 50 0 JKAAHN CN(CCCC(=O)c1ccc(C(=O)CCCN(C)Cc2ccccc2)cc1)Cc1ccccc1 ZINC000006878750 554560452 /nfs/dbraw/zinc/56/04/52/554560452.db2.gz WCMCXPQAMLRNBW-UHFFFAOYSA-N 0 3 456.630 5.876 50 0 JKAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N[C@@H](C)C56CC7CC(CC(C7)C5)C6)C4=O)cc3)sc2c1 ZINC000008414520 554578384 /nfs/dbraw/zinc/57/83/84/554578384.db2.gz IJJLZLDFCWWORM-LTKYSMKNSA-N 0 3 499.680 6.098 50 0 JKAAHN COc1cc2nc(C3CCC3)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2cc1OC ZINC000008417011 554579190 /nfs/dbraw/zinc/57/91/90/554579190.db2.gz CUWKFJBMOJFQDX-UHFFFAOYSA-N 0 3 494.639 5.826 50 0 JKAAHN O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000008450393 554596431 /nfs/dbraw/zinc/59/64/31/554596431.db2.gz XJNICWRAZRMOCJ-UHFFFAOYSA-N 0 3 484.600 5.435 50 0 JKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000008762580 554662312 /nfs/dbraw/zinc/66/23/12/554662312.db2.gz FAHCSUHPPAUHAJ-WWOZWPLTSA-N 0 3 497.639 5.548 50 0 biogenic JKAAHN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(OC(F)F)cc2)N2CCCCC2)c1C ZINC000008763383 554663404 /nfs/dbraw/zinc/66/34/04/554663404.db2.gz IXHRETCMVWOYOX-OAQYLSRUSA-N 0 3 460.546 6.387 50 0 JKAAHN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCN5CCCC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000008789082 554681185 /nfs/dbraw/zinc/68/11/85/554681185.db2.gz IQWDZXKZGAIZNS-FJOUDYAESA-N 0 3 483.737 6.578 50 0 biogenic JKAAHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008812697 554694417 /nfs/dbraw/zinc/69/44/17/554694417.db2.gz DZWRGJLUOKPPIJ-QZTJIDSGSA-N 0 3 454.039 6.032 50 0 JKAAHN CCC1=Nc2cc(C(=O)NCCCN(C)Cc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000008813170 554695341 /nfs/dbraw/zinc/69/53/41/554695341.db2.gz SQXFBKFYSZMLDC-UHFFFAOYSA-N 0 3 457.643 6.242 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(C)cc3)=NN12 ZINC000008817425 554700183 /nfs/dbraw/zinc/70/01/83/554700183.db2.gz OUZXEMJJARTDEQ-JOCHJYFZSA-N 0 3 454.412 5.503 50 0 JKAAHN Cc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000008831063 554720956 /nfs/dbraw/zinc/72/09/56/554720956.db2.gz SMSWRAIFTQOCCC-UHFFFAOYSA-N 0 3 492.019 6.076 50 0 JKAAHN Cc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3)CC2)cc1C ZINC000008831069 554720967 /nfs/dbraw/zinc/72/09/67/554720967.db2.gz VHCJLTKZUYRSNK-UHFFFAOYSA-N 0 3 471.601 5.731 50 0 JKAAHN CC1(C)O[C@]2(CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)CN1C(=O)CSC1=NCCN1 ZINC000008856745 554752802 /nfs/dbraw/zinc/75/28/02/554752802.db2.gz FJIROWAKFHDSJC-WMBGMUJQSA-N 0 3 487.754 5.445 50 0 biogenic JKAAHN COc1cc2nc(SCc3ccc(Cl)c(Cl)c3)n3c(nc(O)c3C(C)C)c2cc1OC ZINC000008873486 554770214 /nfs/dbraw/zinc/77/02/14/554770214.db2.gz PLWZGCUPMOGQOI-IBGZPJMESA-N 0 3 478.401 5.559 50 0 JKAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc(Br)cc3)C[C@@H]21 ZINC000008914549 554807562 /nfs/dbraw/zinc/80/75/62/554807562.db2.gz IWKAZAYCZVZLFH-NRFANRHFSA-N 0 3 470.411 5.202 50 0 JKAAHN C[C@@H]1CCCCN1CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000008919215 554816026 /nfs/dbraw/zinc/81/60/26/554816026.db2.gz RXKMCOTXGAOQOZ-OAHLLOKOSA-N 0 3 490.467 5.455 50 0 JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000009010128 554863859 /nfs/dbraw/zinc/86/38/59/554863859.db2.gz XSQCPFOFYOILOK-NSBPXKJOSA-N 0 3 480.539 5.086 50 0 JKAAHN COc1ccccc1N1CCN(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000009013716 554864971 /nfs/dbraw/zinc/86/49/71/554864971.db2.gz QPOSQLHTCCYUBM-UHFFFAOYSA-N 0 3 457.618 5.274 50 0 JKAAHN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000009033987 554868311 /nfs/dbraw/zinc/86/83/11/554868311.db2.gz ZMZSWQGXOQDHQU-RSWSFMATSA-N 0 3 469.710 6.188 50 0 biogenic JKAAHN CCOC(=O)c1ccc(NC(=O)N(Cc2ccc(C)o2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000009151168 554937337 /nfs/dbraw/zinc/93/73/37/554937337.db2.gz WHHWWAYDZKMZKF-UHFFFAOYSA-N 0 3 475.589 5.463 50 0 JKAAHN Cc1ccc(CN(C(=O)Nc2ccc(C)cc2Cl)C2CCN(Cc3ccccc3)CC2)o1 ZINC000009151164 554937392 /nfs/dbraw/zinc/93/73/92/554937392.db2.gz COHCWTMNLKWDGQ-UHFFFAOYSA-N 0 3 451.998 6.249 50 0 JKAAHN Cc1csc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2ccccc2F)n1 ZINC000009209563 554978506 /nfs/dbraw/zinc/97/85/06/554978506.db2.gz PMJIMKQBATZULA-KRWDZBQOSA-N 0 3 471.307 5.209 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccccc4C)nn3cnc1O2 ZINC000009210481 554980049 /nfs/dbraw/zinc/98/00/49/554980049.db2.gz JAHNWKGTDRCLLG-DEOSSOPVSA-N 0 3 470.536 5.880 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccccc4C)nn3cnc1O2 ZINC000009210482 554980054 /nfs/dbraw/zinc/98/00/54/554980054.db2.gz JAHNWKGTDRCLLG-XMMPIXPASA-N 0 3 470.536 5.880 50 0 JKAAHN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc12 ZINC000009229057 555003094 /nfs/dbraw/zinc/00/30/94/555003094.db2.gz UYOSVSXYAMZNEG-UHFFFAOYSA-N 0 3 451.614 5.701 50 0 JKAAHN CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009235362 555009464 /nfs/dbraw/zinc/00/94/64/555009464.db2.gz BWZIPEDVKIIEPJ-OAQYLSRUSA-N 0 3 460.405 5.748 50 0 JKAAHN Cc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(c1nc2ccc(F)cc2s1)C3=O ZINC000009242758 555017756 /nfs/dbraw/zinc/01/77/56/555017756.db2.gz NLEYCGPZNRMVBD-OAQYLSRUSA-N 0 3 460.461 5.739 50 0 JKAAHN CCN1c2cc(NC(=O)N3CCN(C4CCCCC4)CC3)ccc2Sc2ccccc2C1=O ZINC000009251520 555025456 /nfs/dbraw/zinc/02/54/56/555025456.db2.gz OCIQWYMQWCXCMH-UHFFFAOYSA-N 0 3 464.635 5.300 50 0 JKAAHN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c12 ZINC000009266593 555042879 /nfs/dbraw/zinc/04/28/79/555042879.db2.gz INKOPTGVPSONMW-UHFFFAOYSA-N 0 3 465.601 5.001 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4cccs4)nn3cnc1O2 ZINC000009280970 555049908 /nfs/dbraw/zinc/04/99/08/555049908.db2.gz NVCDLMYCIBOKPO-NRFANRHFSA-N 0 3 462.538 5.633 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4cccs4)nn3cnc1O2 ZINC000009280969 555049997 /nfs/dbraw/zinc/04/99/97/555049997.db2.gz NVCDLMYCIBOKPO-OAQYLSRUSA-N 0 3 462.538 5.633 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(Cc4ccccc4)nn3cnc1O2 ZINC000009281922 555051249 /nfs/dbraw/zinc/05/12/49/555051249.db2.gz HPSNPUVFJPJBMQ-VWLOTQADSA-N 0 3 470.536 5.495 50 0 JKAAHN C=C1C(NCCCN2CCC(Cc3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000009286726 555060493 /nfs/dbraw/zinc/06/04/93/555060493.db2.gz JIVPOSYLZHMSDW-UHFFFAOYSA-N 0 3 479.690 5.217 50 0 JKAAHN Cc1ccc(Sc2c3ccccc3[nH]c2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000009288061 555061768 /nfs/dbraw/zinc/06/17/68/555061768.db2.gz QTANDQZUDUCWIJ-UHFFFAOYSA-N 0 3 455.627 6.022 50 0 JKAAHN COc1ccc2c(c1)[nH]c(C(=O)NCCN1CCCCCC1)c2Sc1ccc(Cl)cc1 ZINC000009288629 555062465 /nfs/dbraw/zinc/06/24/65/555062465.db2.gz IHAMZXWCEQYTSG-UHFFFAOYSA-N 0 3 458.027 5.587 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3F)=NN12 ZINC000009307084 555079846 /nfs/dbraw/zinc/07/98/46/555079846.db2.gz FPWNSWGKKMQRKC-NRFANRHFSA-N 0 3 458.375 5.334 50 0 JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009309124 555083391 /nfs/dbraw/zinc/08/33/91/555083391.db2.gz DXFZWQNVFLFBHW-GFQWBHFJSA-N 0 3 482.967 5.211 50 0 JKAAHN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)CNCc3ccc(C)cc3)cc21 ZINC000009408660 555171605 /nfs/dbraw/zinc/17/16/05/555171605.db2.gz XMYVSNWPKPMXMN-VWLOTQADSA-N 0 3 456.586 5.288 50 0 JKAAHN O=S(=O)(N[C@H]1CCCC[C@@H]1N(Cc1ccco1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000009408766 555171804 /nfs/dbraw/zinc/17/18/04/555171804.db2.gz ZTYVUZQQMXWRKW-GOTSBHOMSA-N 0 3 451.032 5.357 50 0 JKAAHN O=S(=O)(N[C@H]1CCCC[C@H]1N(Cc1ccco1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000009408765 555171837 /nfs/dbraw/zinc/17/18/37/555171837.db2.gz ZTYVUZQQMXWRKW-XZOQPEGZSA-N 0 3 451.032 5.357 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000009424387 555188846 /nfs/dbraw/zinc/18/88/46/555188846.db2.gz MBCNFBVUAFGFST-DNVJHFABSA-N 0 3 473.891 5.078 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(N(C)C)cc1)c1c3nc(-c4ccco4)nn3cnc1O2 ZINC000009449712 555222575 /nfs/dbraw/zinc/22/25/75/555222575.db2.gz SWEUPWRHCRDQGW-QHCPKHFHSA-N 0 3 489.539 5.230 50 0 JKAAHN Cc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccccc1)c1c3nc(-c4ccccn4)nn3cnc1O2 ZINC000009449723 555222584 /nfs/dbraw/zinc/22/25/84/555222584.db2.gz SZDJGPYLLGRLHN-JOCHJYFZSA-N 0 3 491.942 5.620 50 0 JKAAHN Cc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccccc1)c1c3nc(-c4ccccn4)nn3cnc1O2 ZINC000009449726 555222593 /nfs/dbraw/zinc/22/25/93/555222593.db2.gz SZDJGPYLLGRLHN-QFIPXVFZSA-N 0 3 491.942 5.620 50 0 JKAAHN Cc1ccc2nc(N3C(=O)c4oc5ccc(F)cc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000009449992 555222790 /nfs/dbraw/zinc/22/27/90/555222790.db2.gz QOFDWXMUMGYTDU-NRFANRHFSA-N 0 3 460.461 5.739 50 0 JKAAHN COc1ccc(-c2nc3ccccc3c(NCC3CCN(Cc4cccc(F)c4)CC3)n2)cc1 ZINC000009527078 555320723 /nfs/dbraw/zinc/32/07/23/555320723.db2.gz JZWBMKPEFNKSFP-UHFFFAOYSA-N 0 3 456.565 5.769 50 0 JKAAHN Clc1ccccc1-c1nc2ccccc2c(NCCCN2CCN(c3ccccc3)CC2)n1 ZINC000009527131 555320746 /nfs/dbraw/zinc/32/07/46/555320746.db2.gz RCNURMMJQGWAEK-UHFFFAOYSA-N 0 3 458.009 5.574 50 0 JKAAHN COc1ccc(-c2csc3ncnc(NCC4CCN(Cc5ccccc5Cl)CC4)c23)cc1 ZINC000009527761 555320997 /nfs/dbraw/zinc/32/09/97/555320997.db2.gz HXKAGQHJCXIQGC-UHFFFAOYSA-N 0 3 479.049 6.344 50 0 JKAAHN COC(=O)c1c2c(sc1NC(=O)C(c1ccccc1)c1ccccc1)C(C)(C)NC(C)(C)C2 ZINC000009639693 555349024 /nfs/dbraw/zinc/34/90/24/555349024.db2.gz CRFPYGQBBZLJIK-UHFFFAOYSA-N 0 3 462.615 5.465 50 0 JKAAHN CC(C)(C)Nc1c(-c2cccc(F)c2)nc2sc(N3CCN(C4CCCCC4)CC3)nn21 ZINC000013347136 555377327 /nfs/dbraw/zinc/37/73/27/555377327.db2.gz YRSGXGTXFXZEEZ-UHFFFAOYSA-N 0 3 456.635 5.262 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccc(F)cc4)nn3cnc1O2 ZINC000009583776 555391988 /nfs/dbraw/zinc/39/19/88/555391988.db2.gz CQDOKOCXKGTEKD-QHCPKHFHSA-N 0 3 474.499 5.710 50 0 JKAAHN Cc1cccc(-c2nc3ccc(C(=O)NCCN4CCCC[C@@H]4C)cc3nc2-c2cccc(C)c2)c1 ZINC000009589476 555402675 /nfs/dbraw/zinc/40/26/75/555402675.db2.gz HEOBCBFCAREUQT-QHCPKHFHSA-N 0 3 478.640 6.185 50 0 JKAAHN COc1cc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)ccc1OCc1ccccc1 ZINC000009680420 555408225 /nfs/dbraw/zinc/40/82/25/555408225.db2.gz NJXXNSOOKUDVSA-UHFFFAOYSA-N 0 3 471.645 5.061 50 0 JKAAHN COc1ccccc1Nc1cc(C(=O)NCCN2CCC(Cc3ccccc3)CC2)c2ccccc2n1 ZINC000009680933 555408791 /nfs/dbraw/zinc/40/87/91/555408791.db2.gz DLCLFLBGEVGKMJ-UHFFFAOYSA-N 0 3 494.639 5.672 50 0 JKAAHN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000009693750 555422856 /nfs/dbraw/zinc/42/28/56/555422856.db2.gz QMBVAFKORARFDA-UHFFFAOYSA-N 0 3 480.077 5.640 50 0 JKAAHN CCC1=Nc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2Sc2ccc(C)cc21 ZINC000009608309 555435501 /nfs/dbraw/zinc/43/55/01/555435501.db2.gz JRSXEPSLPRHDRE-UHFFFAOYSA-N 0 3 469.654 6.385 50 0 JKAAHN Cc1nn2c(nc(C)c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c2C)c1-c1ccccc1 ZINC000009609909 555439112 /nfs/dbraw/zinc/43/91/12/555439112.db2.gz JAZVZUGGNDPUBR-UHFFFAOYSA-N 0 3 481.644 5.035 50 0 JKAAHN CCN1CCN(c2ccc(NC(=O)CCc3c(C)nc4c(c(C)nn4-c4ccccc4)c3C)cc2)CC1 ZINC000009610203 555440028 /nfs/dbraw/zinc/44/00/28/555440028.db2.gz UBBNTRWSVLLIQX-UHFFFAOYSA-N 0 3 496.659 5.059 50 0 JKAAHN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC3CCN(Cc4ccccc4F)CC3)c12 ZINC000009610448 555440730 /nfs/dbraw/zinc/44/07/30/555440730.db2.gz BUEWOQLQMUSSJJ-UHFFFAOYSA-N 0 3 485.607 5.127 50 0 JKAAHN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC3CCN(Cc4cccc(F)c4)CC3)c12 ZINC000009610449 555441011 /nfs/dbraw/zinc/44/10/11/555441011.db2.gz FOYZYFUZEYMBCA-UHFFFAOYSA-N 0 3 485.607 5.127 50 0 JKAAHN COc1ccc(Nc2c3cc(NC(=O)c4cccc(Cl)c4)ccc3nc3c2CCCC3)cc1OC ZINC000009612246 555444852 /nfs/dbraw/zinc/44/48/52/555444852.db2.gz RFCOXZWVRXJVPS-UHFFFAOYSA-N 0 3 487.987 6.780 50 0 JKAAHN OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000009730864 555466936 /nfs/dbraw/zinc/46/69/36/555466936.db2.gz NTUVYKDKSDSLSQ-UHFFFAOYSA-N 0 3 463.621 6.414 50 0 JKAAHN O=C([O-])c1ccc(-n2cc(C[NH2+]CC3CCN(Cc4ccc(Cl)cc4)CC3)c3ccccc32)s1 ZINC000009741050 555472327 /nfs/dbraw/zinc/47/23/27/555472327.db2.gz JEODTCNRPNAOAA-UHFFFAOYSA-N 0 3 494.060 6.045 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000013511413 555482965 /nfs/dbraw/zinc/48/29/65/555482965.db2.gz ILZANGSWKGGKFD-QHAWAJNXSA-N 0 3 473.743 5.698 50 0 JKAAHN CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C(=O)C2ON1c1ccccc1 ZINC000013513365 555484239 /nfs/dbraw/zinc/48/42/39/555484239.db2.gz VEZFHJVGNZZXTO-KTEAYJLESA-N 0 3 450.579 5.370 50 0 JKAAHN Cc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccccc1)c1c3nc(-c4ccncc4)nn3cnc1O2 ZINC000013557569 555494211 /nfs/dbraw/zinc/49/42/11/555494211.db2.gz UFOHOSOVLHCBNN-JOCHJYFZSA-N 0 3 491.942 5.620 50 0 JKAAHN COc1ccc(Nc2c3cc(NC(=O)c4ccccc4F)ccc3nc3c2CCCC3)cc1OC ZINC000009777087 555495592 /nfs/dbraw/zinc/49/55/92/555495592.db2.gz MJEKDNFRUUUNBK-UHFFFAOYSA-N 0 3 471.532 6.266 50 0 JKAAHN COc1ccc(Nc2c3cc(NC(=O)c4ccccc4OC)ccc3nc3c2CCCC3)cc1OC ZINC000009777109 555495599 /nfs/dbraw/zinc/49/55/99/555495599.db2.gz VBKRULMPWXBRJS-UHFFFAOYSA-N 0 3 483.568 6.135 50 0 JKAAHN O=c1c2c(ncn1CCCc1ccccc1)sc1c2CC[C@@H](NCc2c(F)cccc2F)C1 ZINC000019839524 555508231 /nfs/dbraw/zinc/50/82/31/555508231.db2.gz QEOVDUPULCTXBV-GOSISDBHSA-N 0 3 465.569 5.016 50 0 JKAAHN COc1ccc(-c2csc3ncnc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)c23)cc1 ZINC000019882313 555527394 /nfs/dbraw/zinc/52/73/94/555527394.db2.gz HMGNEJWUGHBCDR-UHFFFAOYSA-N 0 3 492.648 6.279 50 0 JKAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N[C@@H](C)C56CC7CC(CC(C7)C5)C6)C4=O)cc3)sc2c1 ZINC000019890018 555529451 /nfs/dbraw/zinc/52/94/51/555529451.db2.gz IJJLZLDFCWWORM-FSYTULGSSA-N 0 3 499.680 6.098 50 0 JKAAHN Cc1ccc(C2=C(Cl)/C(=C\CN3CCCCC3)[C@@H](c3ccccc3)c3ccccc3O2)cc1 ZINC000013689067 555582257 /nfs/dbraw/zinc/58/22/57/555582257.db2.gz JLYVNNLQOSECGB-OXWVMCNISA-N 0 3 456.029 7.539 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000013748628 555607664 /nfs/dbraw/zinc/60/76/64/555607664.db2.gz GSCIUQJEBZPKDM-QHAWAJNXSA-N 0 3 473.743 5.698 50 0 JKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000013749675 555608574 /nfs/dbraw/zinc/60/85/74/555608574.db2.gz GZLGLBXVRQSDAT-VWPQPMDRSA-N 0 3 453.325 5.353 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000013759168 555612215 /nfs/dbraw/zinc/61/22/15/555612215.db2.gz QUENEMRYTACVHE-UBFVSLLYSA-N 0 3 489.358 6.198 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1Br ZINC000013769549 555614012 /nfs/dbraw/zinc/61/40/12/555614012.db2.gz ZSNSUJOGBHDYGJ-NJDAHSKKSA-N 0 3 483.749 5.154 50 0 JKAAHN CCN(CC)CCN(C(=O)c1cc2ccccc2cc1OC)c1nc2ccc(OC)cc2s1 ZINC000010066444 555614100 /nfs/dbraw/zinc/61/41/00/555614100.db2.gz UHDNYFFIOZLRAC-UHFFFAOYSA-N 0 3 463.603 5.455 50 0 JKAAHN CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(SCCN2CCCCC2)n1)CCC4 ZINC000013770475 555614540 /nfs/dbraw/zinc/61/45/40/555614540.db2.gz FDKUBHKRRBBKKP-UHFFFAOYSA-N 0 3 472.749 6.227 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000013778786 555617760 /nfs/dbraw/zinc/61/77/60/555617760.db2.gz ARTLOQKLSBNWJP-QHAWAJNXSA-N 0 3 457.288 5.184 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013803842 555622187 /nfs/dbraw/zinc/62/21/87/555622187.db2.gz ZYRXTCLITDHOAN-QHAWAJNXSA-N 0 3 488.849 5.290 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000013811370 555627872 /nfs/dbraw/zinc/62/78/72/555627872.db2.gz KZPNSPAEJZSXQI-NJDAHSKKSA-N 0 3 490.840 5.549 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000013811462 555628154 /nfs/dbraw/zinc/62/81/54/555628154.db2.gz DNMZZPBAOQSDOY-QHAWAJNXSA-N 0 3 490.840 5.549 50 0 JKAAHN O=C(C1CCN(Cc2cccc(Cl)c2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020100380 555633566 /nfs/dbraw/zinc/63/35/66/555633566.db2.gz FTEWFMDTCUNAAZ-UHFFFAOYSA-N 0 3 488.075 5.486 50 0 JKAAHN S=C(Nc1ccc(Oc2ccccc2)cc1)N(CCN1CCCCCC1)Cc1cccs1 ZINC000020107690 555641788 /nfs/dbraw/zinc/64/17/88/555641788.db2.gz ZBDCOUZFYFYWJR-UHFFFAOYSA-N 0 3 465.688 6.615 50 0 JKAAHN O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC1CCN(Cc2ccccc2)CC1 ZINC000010280896 555672298 /nfs/dbraw/zinc/67/22/98/555672298.db2.gz VTYHGXDYLKMOPV-UHFFFAOYSA-N 0 3 465.597 5.722 50 0 JKAAHN CN(CCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21)Cc1ccccc1 ZINC000020181086 555687942 /nfs/dbraw/zinc/68/79/42/555687942.db2.gz SMHXGRJCTCNUIY-KOEQRZSOSA-N 0 3 492.044 5.068 50 0 JKAAHN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCc3ccc(CN4CCCCCC4)o3)c12 ZINC000020284157 555753586 /nfs/dbraw/zinc/75/35/86/555753586.db2.gz VCVHEEWDSUVPDC-UHFFFAOYSA-N 0 3 471.605 5.245 50 0 JKAAHN CCOc1ccc2nc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000011614456 555791352 /nfs/dbraw/zinc/79/13/52/555791352.db2.gz UKGLMUCWWUMYIU-QHCPKHFHSA-N 0 3 486.524 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O=C(Nc1ccccc1Cl)N(Cc1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2)CC1 ZINC000015679709 555946571 /nfs/dbraw/zinc/94/65/71/555946571.db2.gz HYKXKCFVQKXSMM-UHFFFAOYSA-N 0 3 477.992 5.767 50 0 JKAAHN O=C(Nc1ccccc1F)N(Cc1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2)CC1 ZINC000015679721 555946866 /nfs/dbraw/zinc/94/68/66/555946866.db2.gz WTPXRRDHDBQQLT-UHFFFAOYSA-N 0 3 461.537 5.253 50 0 JKAAHN O=c1c([C@@H](CN2CCCCC2)c2ccccc2Cl)nc(-c2ccccc2)nn1CN1CCCCC1 ZINC000012340827 555953565 /nfs/dbraw/zinc/95/35/65/555953565.db2.gz VJWMTSBFSJIUBS-DEOSSOPVSA-N 0 3 492.067 5.020 50 0 JKAAHN COc1cccc(OC)c1OCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022927180 555978181 /nfs/dbraw/zinc/97/81/81/555978181.db2.gz HZBMEGYUPNJSGC-UHFFFAOYSA-N 0 3 460.618 5.270 50 0 JKAAHN Clc1ccccc1-c1nnc([C@@H](NC2CCN(Cc3ccccc3)CC2)c2ccccc2)o1 ZINC000015733710 555979161 /nfs/dbraw/zinc/97/91/61/555979161.db2.gz VHMZGEVPWGURDE-VWLOTQADSA-N 0 3 458.993 5.734 50 0 JKAAHN Cc1c(C[NH2+]CCCN(Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776887 555996491 /nfs/dbraw/zinc/99/64/91/555996491.db2.gz YFICOSZTYGGPED-UHFFFAOYSA-N 0 3 465.613 5.381 50 0 JKAAHN O=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000015821320 556009896 /nfs/dbraw/zinc/00/98/96/556009896.db2.gz KSMYGTIMIOGLDW-UHFFFAOYSA-N 0 3 453.630 5.104 50 0 JKAAHN COc1ccccc1[C@@H](c1oc2ccccc2c1NC(=O)c1ccccc1)N1CCC(C)CC1 ZINC000015859474 556030074 /nfs/dbraw/zinc/03/00/74/556030074.db2.gz WXYYPYYDSUCRSQ-MHZLTWQESA-N 0 3 454.570 6.515 50 0 JKAAHN COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCC(C)CC2)cc1 ZINC000015859458 556030079 /nfs/dbraw/zinc/03/00/79/556030079.db2.gz SKCAYPYPPGIUFW-MHZLTWQESA-N 0 3 454.570 6.515 50 0 JKAAHN CN(Cc1ccccc1)C(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000015865827 556042470 /nfs/dbraw/zinc/04/24/70/556042470.db2.gz BYPJAZWYFZFELD-UHFFFAOYSA-N 0 3 486.059 6.214 50 0 JKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000012559133 556049717 /nfs/dbraw/zinc/04/97/17/556049717.db2.gz PADOVPMRAHXREZ-RPLLCQBOSA-N 0 3 466.560 5.435 50 0 JKAAHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1C(F)(F)F ZINC000023382315 556050511 /nfs/dbraw/zinc/05/05/11/556050511.db2.gz IZVMDPIWXWOHLT-QFIPXVFZSA-N 0 3 478.474 5.214 50 0 JKAAHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1C(F)(F)F ZINC000023382313 556050657 /nfs/dbraw/zinc/05/06/57/556050657.db2.gz IZVMDPIWXWOHLT-JOCHJYFZSA-N 0 3 478.474 5.214 50 0 JKAAHN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](NCC1CCCCC1)c1ccccc1 ZINC000012563672 556058829 /nfs/dbraw/zinc/05/88/29/556058829.db2.gz JBJAFEBEBOZGTO-VWLOTQADSA-N 0 3 476.642 6.442 50 0 JKAAHN COc1ccc(CNCc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)cc1OC ZINC000012592131 556087929 /nfs/dbraw/zinc/08/79/29/556087929.db2.gz NRDMLCVYAJNRJS-UHFFFAOYSA-N 0 3 451.929 5.639 50 0 JKAAHN CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012661768 556101432 /nfs/dbraw/zinc/10/14/32/556101432.db2.gz ZMZSWQGXOQDHQU-HVZCNXNWSA-N 0 3 469.710 6.188 50 0 biogenic JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3ccccc3N21 ZINC000016000328 556104910 /nfs/dbraw/zinc/10/49/10/556104910.db2.gz VJCOJKUPZDCPIP-YIPGRGJBSA-N 0 3 482.967 5.292 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000016199632 556128971 /nfs/dbraw/zinc/12/89/71/556128971.db2.gz VDFDCOSLKUATGW-UHFFFAOYSA-N 0 3 455.480 5.287 50 0 JKAAHN COc1ccccc1NC(=O)c1ccc(NC(=O)CN[C@H](C)c2cccc3ccccc32)cc1 ZINC000012915598 556134580 /nfs/dbraw/zinc/13/45/80/556134580.db2.gz CEEUZCRAUSKIQT-LJQANCHMSA-N 0 3 453.542 5.390 50 0 JKAAHN CC1CCN([C@@H](CNC(=O)c2ccccc2NC(=O)c2cccs2)c2cccs2)CC1 ZINC000012918799 556137898 /nfs/dbraw/zinc/13/78/98/556137898.db2.gz MJUHCDRVZHEYOX-FQEVSTJZSA-N 0 3 453.633 5.265 50 0 JKAAHN CN(C)[C@@H](CNC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccccc1 ZINC000012972568 556164038 /nfs/dbraw/zinc/16/40/38/556164038.db2.gz JRVWSESBECIVAQ-QFIPXVFZSA-N 0 3 484.069 5.225 50 0 JKAAHN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000013013068 556204178 /nfs/dbraw/zinc/20/41/78/556204178.db2.gz MYEIYRBEYIAFEM-MHZLTWQESA-N 0 3 480.612 5.174 50 0 JKAAHN COc1cccc([C@@H]2CN[C@@H](c3ccc(C(F)(F)F)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025461658 556217033 /nfs/dbraw/zinc/21/70/33/556217033.db2.gz LYEMGMUNUMROOV-CVDCTZTESA-N 0 3 452.476 6.028 50 0 JKAAHN COc1cccc([C@H](CNc2ncnc3scc(-c4ccc(Cl)cc4)c32)N2CCCC2)c1 ZINC000013068911 556265338 /nfs/dbraw/zinc/26/53/38/556265338.db2.gz KVOFIHWTDDYJAH-QFIPXVFZSA-N 0 3 465.022 6.269 50 0 JKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000017783973 556266479 /nfs/dbraw/zinc/26/64/79/556266479.db2.gz LWODHHPUMNDSQK-BDTNDASRSA-N 0 3 453.325 5.353 50 0 JKAAHN CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000017951819 556272560 /nfs/dbraw/zinc/27/25/60/556272560.db2.gz FPAWZWCFCCVLGZ-BDTNDASRSA-N 0 3 450.947 5.113 50 0 JKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000017991173 556274808 /nfs/dbraw/zinc/27/48/08/556274808.db2.gz UQKHXXIFTXJVDW-VSKRKVRLSA-N 0 3 453.325 5.353 50 0 JKAAHN CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000018022874 556277599 /nfs/dbraw/zinc/27/75/99/556277599.db2.gz RSYSVVPXMQQROL-ZRBLBEILSA-N 0 3 467.352 5.607 50 0 JKAAHN CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000018154892 556295101 /nfs/dbraw/zinc/29/51/01/556295101.db2.gz POLMJDIEAXQIPX-BDTNDASRSA-N 0 3 484.499 5.478 50 0 JKAAHN Cc1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2ncc(-c3ccccc3Cl)c2n1 ZINC000027585568 556300433 /nfs/dbraw/zinc/30/04/33/556300433.db2.gz JEBLIOMGDAFNHK-UHFFFAOYSA-N 0 3 494.042 6.270 50 0 JKAAHN Cc1nn2c(nc(C)cc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1-c1ccc(C)cc1 ZINC000027585762 556300624 /nfs/dbraw/zinc/30/06/24/556300624.db2.gz WQXJDDXIKNIPCN-UHFFFAOYSA-N 0 3 487.651 6.233 50 0 JKAAHN O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CCCCN1CCN(c2ccccc2)CC1 ZINC000028048322 556313797 /nfs/dbraw/zinc/31/37/97/556313797.db2.gz FZOPCUKWFFRKCC-UHFFFAOYSA-N 0 3 487.047 5.126 50 0 JKAAHN CCN(CC)[C@@H](CNC(=O)c1nc(SC)ncc1Br)c1ccc(C(C)(C)C)cc1 ZINC000028290882 556328396 /nfs/dbraw/zinc/32/83/96/556328396.db2.gz AISQWNULFQMEBI-SFHVURJKSA-N 0 3 479.488 5.071 50 0 JKAAHN Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)CN3CCc4ccccc4C3)c2c(C)c1 ZINC000028296684 556330940 /nfs/dbraw/zinc/33/09/40/556330940.db2.gz LOIUEPSTAMZJFQ-PMERELPUSA-N 0 3 486.659 7.011 50 0 JKAAHN Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)CN3CCc4ccccc4C3)c2c(C)c1 ZINC000028296685 556330993 /nfs/dbraw/zinc/33/09/93/556330993.db2.gz LOIUEPSTAMZJFQ-SSEXGKCCSA-N 0 3 486.659 7.011 50 0 JKAAHN COc1cccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCCC3)c3ccccc3n2)c1 ZINC000028403072 556332643 /nfs/dbraw/zinc/33/26/43/556332643.db2.gz GURSRVNKCDGKNP-HKBQPEDESA-N 0 3 493.651 6.601 50 0 JKAAHN CCOc1ccc([C@H](NCC(=O)Nc2cc3c(cc2Cl)OCCCO3)C(C)C)cc1OCC ZINC000029150507 556348154 /nfs/dbraw/zinc/34/81/54/556348154.db2.gz ITVGZOWHAOBINY-RUZDIDTESA-N 0 3 477.001 5.224 50 0 JKAAHN CCOc1ccc([C@@H](NCC(=O)Nc2cc3c(cc2Cl)OCCCO3)C(C)C)cc1OCC ZINC000029150503 556348203 /nfs/dbraw/zinc/34/82/03/556348203.db2.gz ITVGZOWHAOBINY-VWLOTQADSA-N 0 3 477.001 5.224 50 0 JKAAHN O=C(Nc1ccc(F)cc1)[C@H](NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1 ZINC000013131749 556358162 /nfs/dbraw/zinc/35/81/62/556358162.db2.gz UZTSBDMMRJSSJV-LITSAYRRSA-N 0 3 463.556 6.409 50 0 JKAAHN Clc1ccc(-c2csc3ncnc(N4CCN(C5c6ccccc6-c6ccccc65)CC4)c23)cc1 ZINC000019682022 556359834 /nfs/dbraw/zinc/35/98/34/556359834.db2.gz XQLZGEMIBWXFTM-UHFFFAOYSA-N 0 3 495.051 6.904 50 0 JKAAHN O=C(Nc1ccc(I)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019760968 556366810 /nfs/dbraw/zinc/36/68/10/556366810.db2.gz RDTIYEAJOQOTOB-UHFFFAOYSA-N 0 3 468.338 5.102 50 0 JKAAHN Clc1ccc(Cn2ncc3c2ncnc3N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019807843 556379525 /nfs/dbraw/zinc/37/95/25/556379525.db2.gz ISSJSRGIKKVMEV-UHFFFAOYSA-N 0 3 495.030 5.440 50 0 JKAAHN Cc1ccc(Cn2ncc3c2ncnc3N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019808638 556379915 /nfs/dbraw/zinc/37/99/15/556379915.db2.gz DJAQWRMNXPMDTP-UHFFFAOYSA-N 0 3 474.612 5.095 50 0 JKAAHN O=C(CC1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000019817423 556383470 /nfs/dbraw/zinc/38/34/70/556383470.db2.gz KAGXZJKVICUJDO-HXUWFJFHSA-N 0 3 456.468 5.304 50 0 JKAAHN COc1ccc(CN2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c(OC)c1 ZINC000019219498 563014728 /nfs/dbraw/zinc/01/47/28/563014728.db2.gz RGVNEPBKBZHMPN-DEOSSOPVSA-N 0 3 480.612 5.911 50 0 JKAAHN CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000033972280 563111390 /nfs/dbraw/zinc/11/13/90/563111390.db2.gz TXVNNFDXQZFMBQ-PRUVNFMMSA-N 0 3 464.993 5.915 50 0 JKAAHN COc1ccc(S(=O)(=O)Nc2ccccc2CN(C)C/C=C/c2ccc(Cl)cc2)cc1 ZINC000035212814 563119369 /nfs/dbraw/zinc/11/93/69/563119369.db2.gz RUAOVVIUGUOYHA-AATRIKPKSA-N 0 3 456.995 5.295 50 0 in-vitro JKAAHN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2C(Oc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000008439668 569589899 /nfs/dbraw/zinc/58/98/99/569589899.db2.gz GVRHUEMPEFJHOH-SVBPBHIXSA-N 0 3 484.577 5.011 50 0 JKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc2c(Cl)cccc12 ZINC000055529331 569592120 /nfs/dbraw/zinc/59/21/20/569592120.db2.gz VXKIKADDSFYUKM-UHFFFAOYSA-N 0 3 455.989 6.068 50 0 JKAAHN O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000055529360 569592191 /nfs/dbraw/zinc/59/21/91/569592191.db2.gz JMFYTKWLWCYAGP-UHFFFAOYSA-N 0 3 452.023 5.393 50 0 JKAAHN O=C(COc1cccc2ccccc21)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057254352 569594919 /nfs/dbraw/zinc/59/49/19/569594919.db2.gz XKMJMTVWBXWLBQ-UHFFFAOYSA-N 0 3 451.570 5.180 50 0 JKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000057256224 569595019 /nfs/dbraw/zinc/59/50/19/569595019.db2.gz DEILDCSEKTXMEE-UHFFFAOYSA-N 0 3 477.608 5.840 50 0 JKAAHN O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058160809 569602194 /nfs/dbraw/zinc/60/21/94/569602194.db2.gz LXBDEOGHYHFITE-UHFFFAOYSA-N 0 3 468.626 5.314 50 0 JKAAHN CC[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984027 569607322 /nfs/dbraw/zinc/60/73/22/569607322.db2.gz PHUSKVXGMXQXPT-XQQQEEOESA-N 0 3 490.003 5.352 50 0 JKAAHN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000061997617 569609817 /nfs/dbraw/zinc/60/98/17/569609817.db2.gz UNILYICFDBVZCR-AMZPDFMZSA-N 0 3 463.449 5.574 50 0 biogenic JKAAHN CN(C)/C=C/C=C/C=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000063591207 569615555 /nfs/dbraw/zinc/61/55/55/569615555.db2.gz IOYUUIANTPQAAC-JYHWFCAKSA-N 0 3 477.651 8.780 50 0 JKAAHN COc1ccc(Oc2cc(-c3cccc(C(=O)NC4CCN(Cc5ccccc5)CC4)c3)ncn2)cc1 ZINC000064578374 569620026 /nfs/dbraw/zinc/62/00/26/569620026.db2.gz PHJWXOVLIVPKIB-UHFFFAOYSA-N 0 3 494.595 5.339 50 0 JKAAHN Oc1ccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC2CCCCCC2)cc1 ZINC000064746111 569625170 /nfs/dbraw/zinc/62/51/70/569625170.db2.gz YJAPXEKXLSAULY-UHFFFAOYSA-N 0 3 494.709 5.753 50 0 JKAAHN c1ccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC2CCCCCC2)cc1 ZINC000064746114 569625378 /nfs/dbraw/zinc/62/53/78/569625378.db2.gz JFLIFVVIBYRFMV-UHFFFAOYSA-N 0 3 478.710 6.047 50 0 JKAAHN Cc1onc(-c2ccc(Br)s2)c1C(=O)NCC1CCN(Cc2ccc(C)cc2)CC1 ZINC000064820220 569636075 /nfs/dbraw/zinc/63/60/75/569636075.db2.gz IQYADWQXDFXPJR-UHFFFAOYSA-N 0 3 488.451 5.424 50 0 JKAAHN COc1ccc(NC(=O)COc2ccc3c(c2)[C@@H](c2ccccc2)N(Cc2ccccc2)CC3)cc1 ZINC000034671488 569640707 /nfs/dbraw/zinc/64/07/07/569640707.db2.gz GKIWPGGGIFMGPS-WJOKGBTCSA-N 0 3 478.592 5.860 50 0 JKAAHN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccco1 ZINC000034671647 569640927 /nfs/dbraw/zinc/64/09/27/569640927.db2.gz WIGVXPPVVIUFFQ-CONSDPRKSA-N 0 3 494.635 6.210 50 0 JKAAHN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NC(C)C ZINC000034671672 569640945 /nfs/dbraw/zinc/64/09/45/569640945.db2.gz WSKMESBHYOFRMV-WDYNHAJCSA-N 0 3 456.630 5.825 50 0 JKAAHN COc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000034682681 569643964 /nfs/dbraw/zinc/64/39/64/569643964.db2.gz MPSBPJSQSHXAIJ-UHFFFAOYSA-N 0 3 468.519 6.025 50 0 JKAAHN O=C(c1ccccc1)N1C[C@@H](CN2CCN(c3ccccc3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698070 569647662 /nfs/dbraw/zinc/64/76/62/569647662.db2.gz ANTDKDJIYJLVKZ-SHQCIBLASA-N 0 3 493.573 5.383 50 0 JKAAHN O=C(c1ccccc1)N1C[C@H](CN2CCN(c3ccccc3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698069 569647698 /nfs/dbraw/zinc/64/76/98/569647698.db2.gz ANTDKDJIYJLVKZ-RPLLCQBOSA-N 0 3 493.573 5.383 50 0 JKAAHN O=C(c1ccccc1)N(C[C@@H]1CN(Cc2ccco2)C[C@@H]1c1cccc(F)c1)C1CCCCC1 ZINC000034698705 569647798 /nfs/dbraw/zinc/64/77/98/569647798.db2.gz NLHHWGCMZAFCKX-RBJSKKJNSA-N 0 3 460.593 6.109 50 0 JKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698884 569648010 /nfs/dbraw/zinc/64/80/10/569648010.db2.gz KUWZPYDMNUZOKM-VAVYLYDRSA-N 0 3 455.646 6.014 50 0 JKAAHN Cc1ccccc1[C@H]1CN(Cc2cccn2C)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698837 569648055 /nfs/dbraw/zinc/64/80/55/569648055.db2.gz OCPPNMIEVSNRMK-RNAHPLFWSA-N 0 3 487.663 6.163 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3ccc[nH]3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698926 569648182 /nfs/dbraw/zinc/64/81/82/569648182.db2.gz XOVCGJQEXIUTHS-WNCULLNHSA-N 0 3 463.597 5.176 50 0 JKAAHN COc1cccc([C@@H]2CN(Cc3ccc(C)o3)C[C@@H]2CN(C(=O)c2ccccc2)C2CCCCC2)c1 ZINC000034698938 569648192 /nfs/dbraw/zinc/64/81/92/569648192.db2.gz KMDUORYILZHPCS-VIZCGCQYSA-N 0 3 486.656 6.287 50 0 JKAAHN COc1cccc([C@H]2CN(Cc3ccco3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698913 569648202 /nfs/dbraw/zinc/64/82/02/569648202.db2.gz QFSXUIVQGITYFC-YIXXDRMTSA-N 0 3 464.581 5.441 50 0 JKAAHN COc1cc(CN2C[C@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000034699047 569648289 /nfs/dbraw/zinc/64/82/89/569648289.db2.gz GVYLDOMJLRWJFL-XNMGPUDCSA-N 0 3 490.619 5.554 50 0 JKAAHN CC(C)N(C[C@@H]1CN(Cc2ccco2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699152 569648479 /nfs/dbraw/zinc/64/84/79/569648479.db2.gz WCWPZAXEZIZWHO-SQJMNOBHSA-N 0 3 488.525 6.204 50 0 JKAAHN Cc1ccc(C(=O)N(C[C@@H]2CN(Cc3ccco3)C[C@@H]2c2cccc(C(F)(F)F)c2)C(C)C)cc1 ZINC000034699168 569648488 /nfs/dbraw/zinc/64/84/88/569648488.db2.gz FNFNNGURZGQJNT-JYFHCDHNSA-N 0 3 484.562 6.373 50 0 JKAAHN CC(C)N(C[C@@H]1CN(Cc2ccc[nH]2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699162 569648534 /nfs/dbraw/zinc/64/85/34/569648534.db2.gz HZJOIVXYOQBGFO-SQJMNOBHSA-N 0 3 487.541 5.939 50 0 JKAAHN Cc1ccc([C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699092 569648549 /nfs/dbraw/zinc/64/85/49/569648549.db2.gz OAULFGPORZLVKB-SXOMAYOGSA-N 0 3 470.613 5.490 50 0 JKAAHN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1C[C@H](c2ccccc2)CN(Cc2ccc(F)c(F)c2)C1 ZINC000034711125 569650791 /nfs/dbraw/zinc/65/07/91/569650791.db2.gz UCHLTSVVRWXOGG-VXKWHMMOSA-N 0 3 488.500 5.906 50 0 JKAAHN Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccccc3)CN(Cc3ccccc3Cl)C2)ccc1F ZINC000034716672 569651746 /nfs/dbraw/zinc/65/17/46/569651746.db2.gz HQXPOONHPNENIO-DNQXCXABSA-N 0 3 450.985 5.710 50 0 JKAAHN Cc1cc([C@H]2C[C@@H](C(=O)NCc3cccc(F)c3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716775 569651940 /nfs/dbraw/zinc/65/19/40/569651940.db2.gz DNHKYNWYGXIMTR-XZOQPEGZSA-N 0 3 452.520 5.334 50 0 JKAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H](c3cccc(C)c3)CN(Cc3cccc(F)c3)C2)cc1OC ZINC000034733628 569653461 /nfs/dbraw/zinc/65/34/61/569653461.db2.gz HLFNKZCTLMYOAD-DHIUTWEWSA-N 0 3 462.565 5.396 50 0 JKAAHN COc1ccccc1CCNC(=O)[C@@H]1C[C@H](c2cccc(C)c2)CN(Cc2ccccc2F)C1 ZINC000034733536 569653469 /nfs/dbraw/zinc/65/34/69/569653469.db2.gz USROVCQNBKJARQ-IZZNHLLZSA-N 0 3 460.593 5.107 50 0 JKAAHN COc1ccc(NC(=O)[C@H]2C[C@H](c3cccc(C)c3)CN(Cc3cccc(F)c3)C2)cc1OC ZINC000034733625 569653474 /nfs/dbraw/zinc/65/34/74/569653474.db2.gz HLFNKZCTLMYOAD-GOTSBHOMSA-N 0 3 462.565 5.396 50 0 JKAAHN COc1ccccc1CCNC(=O)[C@H]1C[C@H](c2cccc(C)c2)CN(Cc2ccccc2F)C1 ZINC000034733530 569653581 /nfs/dbraw/zinc/65/35/81/569653581.db2.gz USROVCQNBKJARQ-UIOOFZCWSA-N 0 3 460.593 5.107 50 0 JKAAHN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000034739902 569655079 /nfs/dbraw/zinc/65/50/79/569655079.db2.gz LGZFMBYPZHOXSF-UPVQGACJSA-N 0 3 462.977 5.338 50 0 JKAAHN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC[C@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000034739905 569655082 /nfs/dbraw/zinc/65/50/82/569655082.db2.gz LGZFMBYPZHOXSF-ISKFKSNPSA-N 0 3 462.977 5.338 50 0 JKAAHN COc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2ccc(F)cc2)CN(Cc2ccc(F)cc2F)C1 ZINC000034739953 569655089 /nfs/dbraw/zinc/65/50/89/569655089.db2.gz CYWXKWSRZWYYQN-PKTZIBPZSA-N 0 3 482.546 5.077 50 0 JKAAHN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC[C@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000034739903 569655105 /nfs/dbraw/zinc/65/51/05/569655105.db2.gz LGZFMBYPZHOXSF-LADGPHEKSA-N 0 3 462.977 5.338 50 0 JKAAHN COc1ccccc1CCNC(=O)[C@H]1C[C@H](c2ccc(F)cc2)CN(Cc2ccc(F)cc2F)C1 ZINC000034739951 569655148 /nfs/dbraw/zinc/65/51/48/569655148.db2.gz CYWXKWSRZWYYQN-GOTSBHOMSA-N 0 3 482.546 5.077 50 0 JKAAHN CC(=O)N(CC(C)C)C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1ccc(F)cc1 ZINC000034740685 569655486 /nfs/dbraw/zinc/65/54/86/569655486.db2.gz JXIPSSVBZUTZCA-ZJSXRUAMSA-N 0 3 450.520 5.565 50 0 JKAAHN O=C(NCC1CCN(Cc2ccccc2F)CC1)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065063054 569656494 /nfs/dbraw/zinc/65/64/94/569656494.db2.gz BRSRAMNFZANKOQ-UHFFFAOYSA-N 0 3 476.577 5.246 50 0 JKAAHN CCCCCCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000034830282 569663781 /nfs/dbraw/zinc/66/37/81/569663781.db2.gz UIQNIYLUCHZNAC-IADCTJSHSA-N 0 3 495.733 5.424 50 0 JKAAHN CCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1CN(Cc1ccc(F)cc1)[C@H](C)CC ZINC000034836341 569665281 /nfs/dbraw/zinc/66/52/81/569665281.db2.gz AWUFPGKGILXRCV-OAQYLSRUSA-N 0 3 481.635 5.265 50 0 JKAAHN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1)Cc1cccc(C)c1 ZINC000034836349 569665405 /nfs/dbraw/zinc/66/54/05/569665405.db2.gz IMSPCAVONNKUPJ-UHFFFAOYSA-N 0 3 463.645 5.046 50 0 JKAAHN CCCc1nn(-c2cccc(F)c2)c(N2CCN(CC)CC2)c1CN(CCC)Cc1ccc(F)cc1 ZINC000034836573 569665542 /nfs/dbraw/zinc/66/55/42/569665542.db2.gz GEHNBSYDGBNRLX-UHFFFAOYSA-N 0 3 495.662 5.657 50 0 JKAAHN CCCc1nn(-c2cccc(F)c2)c(N2CCN(CC)CC2)c1CN(CCC)Cc1sccc1C ZINC000034836587 569665595 /nfs/dbraw/zinc/66/55/95/569665595.db2.gz QWBFZVYKCKTOMZ-UHFFFAOYSA-N 0 3 497.728 5.888 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(Cc1cc(C)ccc1C)C1CC1 ZINC000034836699 569665848 /nfs/dbraw/zinc/66/58/48/569665848.db2.gz HGVOZNIPTNLZEB-UHFFFAOYSA-N 0 3 471.693 5.276 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(Cc1ccc(CC)cc1)C1CC1 ZINC000034836704 569665883 /nfs/dbraw/zinc/66/58/83/569665883.db2.gz HEQQCVPZDXTPBW-UHFFFAOYSA-N 0 3 471.693 5.222 50 0 JKAAHN CCCN(CCCc1ccccc1)Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1 ZINC000034836885 569666235 /nfs/dbraw/zinc/66/62/35/569666235.db2.gz YBCBXDCPZDMBHS-UHFFFAOYSA-N 0 3 473.709 5.421 50 0 JKAAHN CCCN(Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1cc(C)ccc1C ZINC000034836925 569666312 /nfs/dbraw/zinc/66/63/12/569666312.db2.gz ONGJKSHGKCXIPK-UHFFFAOYSA-N 0 3 473.709 5.606 50 0 JKAAHN CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(Cc1cc(C)ccc1C)C1CC1 ZINC000034836975 569666420 /nfs/dbraw/zinc/66/64/20/569666420.db2.gz NWULBQJCLWKAGG-UHFFFAOYSA-N 0 3 471.693 5.358 50 0 JKAAHN CCCN(Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1ccc(Cl)cc1 ZINC000034836863 569666434 /nfs/dbraw/zinc/66/64/34/569666434.db2.gz OQKJRXFZTHPRQA-UHFFFAOYSA-N 0 3 480.100 5.642 50 0 JKAAHN CCCN(Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1ccc(C)cc1C ZINC000034836915 569666471 /nfs/dbraw/zinc/66/64/71/569666471.db2.gz VLEAQQJFUNWWKE-UHFFFAOYSA-N 0 3 473.709 5.606 50 0 JKAAHN CCCN(Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1)Cc1cccc(OCC)c1 ZINC000034836930 569666474 /nfs/dbraw/zinc/66/64/74/569666474.db2.gz IXHIGWXWULQMEM-UHFFFAOYSA-N 0 3 489.708 5.388 50 0 JKAAHN CCCN(Cc1sccc1C)Cc1c(CC)nn(-c2ccccc2)c1N1CCN(CC)CC1 ZINC000034836891 569666504 /nfs/dbraw/zinc/66/65/04/569666504.db2.gz JIBYKYJUYNKGIE-UHFFFAOYSA-N 0 3 465.711 5.359 50 0 JKAAHN Cc1cccc([C@@H]2[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924129 569673006 /nfs/dbraw/zinc/67/30/06/569673006.db2.gz MJCZFTKZTZYVPZ-XZWHSSHBSA-N 0 3 493.651 5.219 50 0 JKAAHN COc1ccc2cc3cc(C(=O)NCC4CCN(Cc5ccc(F)cc5)CC4)sc3nc2c1Cl ZINC000065330829 569674837 /nfs/dbraw/zinc/67/48/37/569674837.db2.gz JTCQNXIRAHYIOZ-UHFFFAOYSA-N 0 3 498.023 5.893 50 0 JKAAHN COc1ccc2cc3cc(C(=O)NC[C@H]4CCN(Cc5ccc(C)cc5)C4)sc3nc2c1Cl ZINC000065330827 569674864 /nfs/dbraw/zinc/67/48/64/569674864.db2.gz UECXQGWFDRYFEJ-GOSISDBHSA-N 0 3 480.033 5.672 50 0 JKAAHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)C1 ZINC000068755454 569692046 /nfs/dbraw/zinc/69/20/46/569692046.db2.gz HJMLBEYOJUXEME-AWEZNQCLSA-N 0 3 476.465 5.150 50 0 JKAAHN Cc1ccc(S(=O)(=O)N[C@@H](c2cccc3ccccc32)[C@@H](N)c2cccc3ccccc32)cc1 ZINC000071773555 569698129 /nfs/dbraw/zinc/69/81/29/569698129.db2.gz GYVYYRQMNGSCRR-VMPREFPWSA-N 0 3 466.606 6.021 50 0 JKAAHN CCOc1ccc(NC(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)cc1 ZINC000035511074 569698295 /nfs/dbraw/zinc/69/82/95/569698295.db2.gz YWYQIJQRQXOJGQ-UHFFFAOYSA-N 0 3 485.603 6.078 50 0 JKAAHN CCOc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000035511068 569698366 /nfs/dbraw/zinc/69/83/66/569698366.db2.gz LWCSRPOJJUFKAG-UHFFFAOYSA-N 0 3 481.640 5.617 50 0 JKAAHN CCCCOc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n[nH]2)cc1 ZINC000072331235 569702846 /nfs/dbraw/zinc/70/28/46/569702846.db2.gz BXIGHIZMDLUWJG-UHFFFAOYSA-N 0 3 494.639 5.803 50 0 JKAAHN Cc1cccc(CN(C(=O)Nc2c(C(C)C)cccc2C(C)C)C2CCN(Cc3ccccc3)CC2)n1 ZINC000035686854 569706878 /nfs/dbraw/zinc/70/68/78/569706878.db2.gz PYAOHPWQLXZSSX-UHFFFAOYSA-N 0 3 498.715 7.336 50 0 JKAAHN Cc1cccc(CN(C(=O)Nc2cccc(C(F)(F)F)c2)C2CCN(Cc3ccccc3)CC2)n1 ZINC000035686844 569706895 /nfs/dbraw/zinc/70/68/95/569706895.db2.gz FYLSOBHKGZCZNN-UHFFFAOYSA-N 0 3 482.550 6.108 50 0 JKAAHN Cc1cccc(CN(C(=O)Nc2ccc(C(F)(F)F)cc2)C2CCN(Cc3ccccc3)CC2)n1 ZINC000035686862 569706953 /nfs/dbraw/zinc/70/69/53/569706953.db2.gz HSBWAOAHWPKCJY-UHFFFAOYSA-N 0 3 482.550 6.108 50 0 JKAAHN Cc1cccc(CN(C(=O)Nc2cccc3ccccc32)C2CCN(Cc3ccccc3)CC2)n1 ZINC000035686848 569706959 /nfs/dbraw/zinc/70/69/59/569706959.db2.gz LTUBGVGFFMHCLB-UHFFFAOYSA-N 0 3 464.613 6.242 50 0 JKAAHN O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(F)cc1)NCCN1CCCC1 ZINC000035768387 569710222 /nfs/dbraw/zinc/71/02/22/569710222.db2.gz ZSFORCHAUBFVGY-MHZLTWQESA-N 0 3 487.594 5.702 50 0 JKAAHN CN(CCCNC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1)Cc1ccccc1 ZINC000085649470 569712389 /nfs/dbraw/zinc/71/23/89/569712389.db2.gz KAAJCZAUVIDVJY-UHFFFAOYSA-N 0 3 469.564 5.278 50 0 JKAAHN Cc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCCCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000035815749 569712444 /nfs/dbraw/zinc/71/24/44/569712444.db2.gz IGXRCJGEZYHEHX-LJAQVGFWSA-N 0 3 497.658 6.261 50 0 JKAAHN Cc1cc(Nc2nc(C(=O)NCCN3CCCC[C@@H]3C)cc3occc32)ccc1Br ZINC000085651287 569713003 /nfs/dbraw/zinc/71/30/03/569713003.db2.gz MVWOFBUVMFRLPP-INIZCTEOSA-N 0 3 471.399 5.247 50 0 JKAAHN CN(C)c1ccc(C2=NO[C@@H](CN(Cc3ccccc3)C(=O)Nc3cccc4ccccc43)C2)cc1 ZINC000035835985 569713435 /nfs/dbraw/zinc/71/34/35/569713435.db2.gz XHYAQIBZQDUMTM-AREMUKBSSA-N 0 3 478.596 6.133 50 0 JKAAHN CC(C)CCN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000035840689 569713707 /nfs/dbraw/zinc/71/37/07/569713707.db2.gz WMIJHQVOYGEUIE-MHZLTWQESA-N 0 3 466.666 5.853 50 0 JKAAHN Cc1ccccc1OC[C@H](O)CN(Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035840582 569713770 /nfs/dbraw/zinc/71/37/70/569713770.db2.gz MLIJDYAYLKGRJX-MUUNZHRXSA-N 0 3 464.625 5.806 50 0 JKAAHN Cc1ccccc1OC[C@H](O)CN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC000035840878 569714030 /nfs/dbraw/zinc/71/40/30/569714030.db2.gz JMTYEKBMRYKCGH-RUZDIDTESA-N 0 3 474.567 5.762 50 0 JKAAHN CCC[C@H](O)CN(CCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842577 569714094 /nfs/dbraw/zinc/71/40/94/569714094.db2.gz ZTOWJZOICHNDLM-MHZLTWQESA-N 0 3 491.720 5.910 50 0 JKAAHN Fc1ccc(CN(Cc2cccn2Cc2ccc(C(F)(F)F)cc2)CC2CCCCC2)cc1 ZINC000035844702 569715263 /nfs/dbraw/zinc/71/52/63/569715263.db2.gz AUJUJSJBJIJEEF-UHFFFAOYSA-N 0 3 458.543 7.277 50 0 JKAAHN CCn1cc([C@@H](CC(=O)NCCN2CCCCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035872199 569719234 /nfs/dbraw/zinc/71/92/34/569719234.db2.gz GELHRDWSZPZNIT-LJAQVGFWSA-N 0 3 495.667 6.578 50 0 JKAAHN CC[C@H](C)c1ccc([C@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C(C)C)cc1 ZINC000089942359 569720519 /nfs/dbraw/zinc/72/05/19/569720519.db2.gz FDNDXCBTGPAKGY-QMHKHESXSA-N 0 3 451.032 5.182 50 0 JKAAHN CC[C@@H](C)c1ccc([C@@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C(C)C)cc1 ZINC000089942360 569720602 /nfs/dbraw/zinc/72/06/02/569720602.db2.gz FDNDXCBTGPAKGY-MWTRTKDXSA-N 0 3 451.032 5.182 50 0 JKAAHN O=C(Nc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12 ZINC000035908071 569723921 /nfs/dbraw/zinc/72/39/21/569723921.db2.gz PCTUIEORURJKFZ-FYYLOGMGSA-N 0 3 461.503 5.089 50 0 JKAAHN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000035924694 569728149 /nfs/dbraw/zinc/72/81/49/569728149.db2.gz KKTPYFJCASPCIA-UHFFFAOYSA-N 0 3 472.612 5.318 50 0 JKAAHN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(Cc3ccccc3)CC2)n1 ZINC000035924693 569728156 /nfs/dbraw/zinc/72/81/56/569728156.db2.gz CQGFYRKJGWQKRM-UHFFFAOYSA-N 0 3 454.622 5.179 50 0 JKAAHN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(Cc3ccc(OC)cc3)CC2)n1 ZINC000035924692 569728176 /nfs/dbraw/zinc/72/81/76/569728176.db2.gz RNYWVUKVTZYFFF-UHFFFAOYSA-N 0 3 484.648 5.187 50 0 JKAAHN Cc1cccc(CN2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035925678 569729039 /nfs/dbraw/zinc/72/90/39/569729039.db2.gz KHLWYSZRKUTVDF-UHFFFAOYSA-N 0 3 488.639 5.427 50 0 JKAAHN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(Cc3ccc(OC)cc3)CC2)n1 ZINC000035926122 569729360 /nfs/dbraw/zinc/72/93/60/569729360.db2.gz GHFHULZGHFSAQP-JOCHJYFZSA-N 0 3 484.648 5.440 50 0 JKAAHN CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(Cc3cccc(C)c3)CC2)n1 ZINC000035926134 569729542 /nfs/dbraw/zinc/72/95/42/569729542.db2.gz WDGUONBBRQTNPY-HSZRJFAPSA-N 0 3 468.649 5.740 50 0 JKAAHN CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCCN(Cc3cccc(OC)c3)CC2)n1 ZINC000035926133 569729548 /nfs/dbraw/zinc/72/95/48/569729548.db2.gz GPXOWNDZGNIJPO-QFIPXVFZSA-N 0 3 484.648 5.440 50 0 JKAAHN CC[C@H](C(=O)c1ccccc1)[C@@H](c1ccc(OC)cc1)c1ccc(OCCN2CCCC2)cc1 ZINC000096027402 569732036 /nfs/dbraw/zinc/73/20/36/569732036.db2.gz CEQWENFCDRGOCF-VMPREFPWSA-N 0 3 457.614 6.211 50 0 JKAAHN Cc1ccc2c(-c3cc4c(o3)c(C)ncc4CNCc3ccc4c(c3)OCO4)cc(=O)oc2c1C ZINC000096115222 569734308 /nfs/dbraw/zinc/73/43/08/569734308.db2.gz HENQUWXPKQNIND-UHFFFAOYSA-N 0 3 468.509 5.545 50 0 biogenic JKAAHN COCc1nn2c(c1-c1ccccc1)NC(=O)C2CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000096194536 569737289 /nfs/dbraw/zinc/73/72/89/569737289.db2.gz BTRDYOCNTWAVHI-HSZRJFAPSA-N 0 3 468.513 5.011 50 0 JKAAHN O=C(COc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1)CC2)NCc1ccc(F)cc1 ZINC000096280551 569740001 /nfs/dbraw/zinc/74/00/01/569740001.db2.gz LCYBVZSLHUCBTH-WJOKGBTCSA-N 0 3 480.583 5.669 50 0 JKAAHN O=C(COc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1)CC2)NCc1ccc(F)cc1 ZINC000096280550 569740058 /nfs/dbraw/zinc/74/00/58/569740058.db2.gz LCYBVZSLHUCBTH-HKBQPEDESA-N 0 3 480.583 5.669 50 0 JKAAHN CN1CCC2(CC1)C[C@H](NC(=O)c1cc(-c3cccnc3)nc3ccccc31)c1ccccc1O2 ZINC000096997115 569744047 /nfs/dbraw/zinc/74/40/47/569744047.db2.gz XZNWZIBVCFVLCU-SANMLTNESA-N 0 3 464.569 5.015 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@@H](O)COc1ccccc1C ZINC000036246075 569757730 /nfs/dbraw/zinc/75/77/30/569757730.db2.gz ABXFPLRSAYUOOH-HSZRJFAPSA-N 0 3 451.611 5.148 50 0 JKAAHN CN(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccc(Cl)cc1 ZINC000036312673 569760292 /nfs/dbraw/zinc/76/02/92/569760292.db2.gz XDZFGCIKDOMSDB-UHFFFAOYSA-N 0 3 467.013 5.189 50 0 JKAAHN Cc1cccc(C(=O)N(CCN(C)C)Cc2c(-c3ccccc3)noc2N2CCCC[C@H]2C)c1 ZINC000036312863 569760427 /nfs/dbraw/zinc/76/04/27/569760427.db2.gz YSIZVKKJQSMWML-JOCHJYFZSA-N 0 3 460.622 5.233 50 0 JKAAHN Cc1cccc(C(=O)N(CCN(C)C)Cc2c(-c3ccccc3)noc2N2CCCC[C@@H]2C)c1 ZINC000036312862 569760481 /nfs/dbraw/zinc/76/04/81/569760481.db2.gz YSIZVKKJQSMWML-QFIPXVFZSA-N 0 3 460.622 5.233 50 0 JKAAHN C[C@@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CCN(C)C)C(=O)c1cccc(F)c1 ZINC000036312854 569760484 /nfs/dbraw/zinc/76/04/84/569760484.db2.gz DQUCMLVLPYPHOD-HXUWFJFHSA-N 0 3 464.585 5.064 50 0 JKAAHN CCCCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313793 569761246 /nfs/dbraw/zinc/76/12/46/569761246.db2.gz AQDQFMZPGXOENC-HSZRJFAPSA-N 0 3 481.637 5.278 50 0 JKAAHN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036313970 569761653 /nfs/dbraw/zinc/76/16/53/569761653.db2.gz VYKSUYWLIRCWQP-QHCPKHFHSA-N 0 3 481.612 5.408 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036313949 569761680 /nfs/dbraw/zinc/76/16/80/569761680.db2.gz UOMADVPNVNDBED-HSZRJFAPSA-N 0 3 481.637 5.276 50 0 JKAAHN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036313950 569761689 /nfs/dbraw/zinc/76/16/89/569761689.db2.gz UOMADVPNVNDBED-QHCPKHFHSA-N 0 3 481.637 5.276 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000036316051 569762050 /nfs/dbraw/zinc/76/20/50/569762050.db2.gz RIOONBJEGWZJFK-HSZRJFAPSA-N 0 3 451.611 5.186 50 0 JKAAHN Cc1ccc(Oc2c(CN(C[C@@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316023 569762071 /nfs/dbraw/zinc/76/20/71/569762071.db2.gz OWMOFNVHCOHDPF-HSZRJFAPSA-N 0 3 451.611 5.184 50 0 JKAAHN Cc1ccc(Oc2c(CN(C[C@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316022 569762089 /nfs/dbraw/zinc/76/20/89/569762089.db2.gz OWMOFNVHCOHDPF-QHCPKHFHSA-N 0 3 451.611 5.184 50 0 JKAAHN CC(C)OC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316160 569762080 /nfs/dbraw/zinc/76/20/80/569762080.db2.gz DXENYHHPZFSESV-JOCHJYFZSA-N 0 3 485.575 5.156 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316181 569762362 /nfs/dbraw/zinc/76/23/62/569762362.db2.gz OQCKMXJXFJOGBW-JOCHJYFZSA-N 0 3 469.576 5.921 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036316221 569762392 /nfs/dbraw/zinc/76/23/92/569762392.db2.gz IUTHTCQHVWIAND-GMAHTHKFSA-N 0 3 465.638 5.656 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC ZINC000036316291 569762548 /nfs/dbraw/zinc/76/25/48/569762548.db2.gz JWLNMDNBMHROPI-JTHBVZDNSA-N 0 3 451.611 5.225 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036341982 569765003 /nfs/dbraw/zinc/76/50/03/569765003.db2.gz DHSMAQLGFKJTPZ-QPPBQGQZSA-N 0 3 481.637 5.368 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036341984 569765009 /nfs/dbraw/zinc/76/50/09/569765009.db2.gz PNSFRKJRAJXYBE-RDGATRHJSA-N 0 3 495.664 5.616 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)[C@@H](C)CC ZINC000036342081 569765275 /nfs/dbraw/zinc/76/52/75/569765275.db2.gz LEPSVFLGUWXHOD-CVDCTZTESA-N 0 3 455.574 5.110 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036345824 569768385 /nfs/dbraw/zinc/76/83/85/569768385.db2.gz KVAVRNVXBLSTPT-DHLKQENFSA-N 0 3 479.665 6.058 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036345833 569768415 /nfs/dbraw/zinc/76/84/15/569768415.db2.gz OIPASKBPZIVLGL-MUUNZHRXSA-N 0 3 483.656 6.343 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(CC(C)C)C[C@@H](O)COC(C)C ZINC000036345832 569768488 /nfs/dbraw/zinc/76/84/88/569768488.db2.gz PUYPNAZMNOXLPM-RUZDIDTESA-N 0 3 465.638 5.525 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345959 569768530 /nfs/dbraw/zinc/76/85/30/569768530.db2.gz SPWGLHCQCYOKEC-XMMPIXPASA-N 0 3 483.628 5.748 50 0 JKAAHN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036345918 569768579 /nfs/dbraw/zinc/76/85/79/569768579.db2.gz BIBCLXPTOMLJFG-MHZLTWQESA-N 0 3 469.629 6.097 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345958 569768585 /nfs/dbraw/zinc/76/85/85/569768585.db2.gz DYFKMMUOZPFYJY-HSZRJFAPSA-N 0 3 453.602 6.121 50 0 JKAAHN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)Cc1ccccc1 ZINC000036345917 569768600 /nfs/dbraw/zinc/76/86/00/569768600.db2.gz BIBCLXPTOMLJFG-HHHXNRCGSA-N 0 3 469.629 6.097 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345957 569768621 /nfs/dbraw/zinc/76/86/21/569768621.db2.gz DYFKMMUOZPFYJY-QHCPKHFHSA-N 0 3 453.602 6.121 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346135 569768973 /nfs/dbraw/zinc/76/89/73/569768973.db2.gz DLZMLUABAQLWLJ-XMMPIXPASA-N 0 3 451.611 5.137 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036346118 569769102 /nfs/dbraw/zinc/76/91/02/569769102.db2.gz CFLAHKBTVQYGAH-NDEPHWFRSA-N 0 3 483.656 6.343 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036346229 569769171 /nfs/dbraw/zinc/76/91/71/569769171.db2.gz VFXIQKQKXDLWEV-DEOSSOPVSA-N 0 3 483.628 5.746 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036346230 569769318 /nfs/dbraw/zinc/76/93/18/569769318.db2.gz VFXIQKQKXDLWEV-XMMPIXPASA-N 0 3 483.628 5.746 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346415 569769774 /nfs/dbraw/zinc/76/97/74/569769774.db2.gz AKBWHOUEHHGDIT-DEOSSOPVSA-N 0 3 451.586 5.875 50 0 JKAAHN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036346597 569770080 /nfs/dbraw/zinc/77/00/80/569770080.db2.gz NYALNCDPWDHVKX-RUZDIDTESA-N 0 3 491.582 6.067 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036346811 569770877 /nfs/dbraw/zinc/77/08/77/569770877.db2.gz QZNCKAWIYKWUHU-VWNXMTODSA-N 0 3 465.638 5.574 50 0 JKAAHN Cc1ccc(Oc2c(CN(CC(C)C)C[C@@H](O)COCC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036346776 569770892 /nfs/dbraw/zinc/77/08/92/569770892.db2.gz LHVWJGULSAETLU-RUZDIDTESA-N 0 3 479.665 5.679 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000036346813 569770904 /nfs/dbraw/zinc/77/09/04/569770904.db2.gz WTKFVCJZKFJSMO-NOZRDPDXSA-N 0 3 479.665 5.822 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@@H](C)CC ZINC000036346826 569771002 /nfs/dbraw/zinc/77/10/02/569771002.db2.gz ZQRJAOLFBFJXNK-GMAHTHKFSA-N 0 3 451.611 5.186 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)[C@H](C)CC ZINC000036346825 569771104 /nfs/dbraw/zinc/77/11/04/569771104.db2.gz ZQRJAOLFBFJXNK-GGAORHGYSA-N 0 3 451.611 5.186 50 0 JKAAHN CSc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100885090 569774242 /nfs/dbraw/zinc/77/42/42/569774242.db2.gz POLMJDIEAXQIPX-VSKRKVRLSA-N 0 3 484.499 5.478 50 0 JKAAHN C[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000036392926 569774639 /nfs/dbraw/zinc/77/46/39/569774639.db2.gz RFPNQTNHECCPOL-OAQYLSRUSA-N 0 3 471.605 5.355 50 0 JKAAHN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccc(C(F)(F)F)c2)N2C[C@H](C)C[C@H](C)C2)c1C ZINC000036405665 569775469 /nfs/dbraw/zinc/77/54/69/569775469.db2.gz YIYHGBBJAPVMAK-VBURHUQHSA-N 0 3 490.591 7.296 50 0 JKAAHN O=C(CCN1CCN2CCCC[C@H]2C1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000100925674 569776092 /nfs/dbraw/zinc/77/60/92/569776092.db2.gz KAVQQYSUMOZNRQ-SFHVURJKSA-N 0 3 461.553 5.395 50 0 biogenic JKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000101040563 569780418 /nfs/dbraw/zinc/78/04/18/569780418.db2.gz UQKHXXIFTXJVDW-BDTNDASRSA-N 0 3 453.325 5.353 50 0 JKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000101078976 569781826 /nfs/dbraw/zinc/78/18/26/569781826.db2.gz GZLGLBXVRQSDAT-SJBKTWHCSA-N 0 3 453.325 5.353 50 0 JKAAHN COc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccc(C)c3)CC2)cc1OC ZINC000037280016 569782541 /nfs/dbraw/zinc/78/25/41/569782541.db2.gz ANZSNNRQZDCOFU-UHFFFAOYSA-N 0 3 462.565 5.463 50 0 JKAAHN COc1cccc(-c2nc(NCCN3CCCCC3)nc3nn(-c4ccc(C(C)C)cc4)c(N)c32)c1 ZINC000037360613 569784042 /nfs/dbraw/zinc/78/40/42/569784042.db2.gz MRDRCRBJUQFQHE-UHFFFAOYSA-N 0 3 485.636 5.095 50 0 JKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101130153 569784056 /nfs/dbraw/zinc/78/40/56/569784056.db2.gz DIDRDADLVCXBRP-NXCFDTQHSA-N 0 3 490.531 5.064 50 0 JKAAHN Nc1c2c(nn1-c1ccccc1Cl)nc(NCCN1CCCCC1)nc2-c1cccc(Cl)c1 ZINC000037361028 569784168 /nfs/dbraw/zinc/78/41/68/569784168.db2.gz VSXBRGUNRZHUCI-UHFFFAOYSA-N 0 3 482.419 5.269 50 0 JKAAHN CC(C)c1ccc(-c2nc(NCCN3CCCCC3)nc3nn(-c4ccc(F)cc4)c(N)c32)cc1 ZINC000037376121 569784383 /nfs/dbraw/zinc/78/43/83/569784383.db2.gz FWCLZUZBUCDGSK-UHFFFAOYSA-N 0 3 473.600 5.225 50 0 JKAAHN CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000101153901 569784729 /nfs/dbraw/zinc/78/47/29/569784729.db2.gz FWTOXAOGUDVTRJ-IARZGTGTSA-N 0 3 476.576 6.188 50 0 JKAAHN Cc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCCC3)C3CCCCC3)c3ccccc32)cc1 ZINC000037381694 569785165 /nfs/dbraw/zinc/78/51/65/569785165.db2.gz XZTWAWXTBUVRDO-MUUNZHRXSA-N 0 3 471.689 6.264 50 0 JKAAHN CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000101181267 569786324 /nfs/dbraw/zinc/78/63/24/569786324.db2.gz BTIOOIGGHNJAGI-BDTNDASRSA-N 0 3 450.947 5.113 50 0 JKAAHN CCC[C@H](C(=O)NCCN1CCCC1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000037396715 569786517 /nfs/dbraw/zinc/78/65/17/569786517.db2.gz ZXNWCDBLDZOYKR-HSZRJFAPSA-N 0 3 473.448 5.487 50 0 JKAAHN CN(C)c1ccc(C2=NO[C@H](CN(Cc3cccc(C(F)(F)F)c3)C(=O)CC(C)(C)C)C2)cc1 ZINC000037440508 569790808 /nfs/dbraw/zinc/79/08/08/569790808.db2.gz CAYINKPCFQPYEE-QFIPXVFZSA-N 0 3 475.555 5.729 50 0 JKAAHN CC(C)CN(C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037524374 569793144 /nfs/dbraw/zinc/79/31/44/569793144.db2.gz FNPXVOPFENBXQK-RCZVLFRGSA-N 0 3 478.574 6.201 50 0 JKAAHN COc1cccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCCCC2)c1 ZINC000038545955 569802567 /nfs/dbraw/zinc/80/25/67/569802567.db2.gz RHAIPEUIUMAPQW-DEOSSOPVSA-N 0 3 450.604 6.056 50 0 JKAAHN CCOc1ccc([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)N2CCCCC2)cc1 ZINC000038546131 569802668 /nfs/dbraw/zinc/80/26/68/569802668.db2.gz UHAHRTSKWODUTL-RUZDIDTESA-N 0 3 464.631 6.446 50 0 JKAAHN CCOc1ccc([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)N2CCC(C)CC2)cc1 ZINC000038546331 569802997 /nfs/dbraw/zinc/80/29/97/569802997.db2.gz SKRPSYDDOJSVAT-AREMUKBSSA-N 0 3 478.658 6.692 50 0 JKAAHN COc1ccccc1[C@@H](c1c(C)c(C)sc1NC(=O)c1cccs1)N1CCC(C)CC1 ZINC000038546708 569803518 /nfs/dbraw/zinc/80/35/18/569803518.db2.gz JLUSXTPWOUNHGW-QHCPKHFHSA-N 0 3 454.661 6.509 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000102663122 569815308 /nfs/dbraw/zinc/81/53/08/569815308.db2.gz ARTLOQKLSBNWJP-PWRODBHTSA-N 0 3 457.288 5.184 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Br)cc4)[C@H]3C2=O)cc1Cl ZINC000102693816 569816020 /nfs/dbraw/zinc/81/60/20/569816020.db2.gz UEOMMGWREDPZEA-YPAWHYETSA-N 0 3 497.776 5.462 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1Cl ZINC000102702896 569816212 /nfs/dbraw/zinc/81/62/12/569816212.db2.gz ONSLCKWIYPZTSG-YPAWHYETSA-N 0 3 453.325 5.353 50 0 JKAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)C3ON2c2ccccc2)c1 ZINC000102706253 569816345 /nfs/dbraw/zinc/81/63/45/569816345.db2.gz HYGAUVLNAWWTMG-KCZVDYSFSA-N 0 3 469.324 5.053 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102706544 569816709 /nfs/dbraw/zinc/81/67/09/569816709.db2.gz COTZMDSNSBKJSY-CCDWMCETSA-N 0 3 489.358 6.198 50 0 JKAAHN CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](Cc4ccccc4)[C@H]3C2=O)cc1 ZINC000102724430 569817467 /nfs/dbraw/zinc/81/74/67/569817467.db2.gz IPFLJDRUQGGQBC-ZONZVBGPSA-N 0 3 470.569 5.177 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)cc1 ZINC000102725756 569817751 /nfs/dbraw/zinc/81/77/51/569817751.db2.gz DRCQQQVMZQACSR-FDFHNCONSA-N 0 3 453.325 5.353 50 0 JKAAHN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000102727110 569817810 /nfs/dbraw/zinc/81/78/10/569817810.db2.gz XQOMMHZCPXMMNP-DNVJHFABSA-N 0 3 499.350 5.062 50 0 JKAAHN CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000102727449 569817837 /nfs/dbraw/zinc/81/78/37/569817837.db2.gz ZJEZDPAHFJVQDT-KMDXXIMOSA-N 0 3 462.571 5.368 50 0 JKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000102727681 569817943 /nfs/dbraw/zinc/81/79/43/569817943.db2.gz ATXDEDKBOFKTTG-CCDWMCETSA-N 0 3 460.505 5.056 50 0 JKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C1=O ZINC000102731607 569818049 /nfs/dbraw/zinc/81/80/49/569818049.db2.gz TUEBVZMUJOZKPU-YPAWHYETSA-N 0 3 453.325 5.353 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)cc1 ZINC000102731218 569818118 /nfs/dbraw/zinc/81/81/18/569818118.db2.gz NVTAQODLHBKFID-KMDXXIMOSA-N 0 3 497.378 5.833 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1 ZINC000102731220 569818132 /nfs/dbraw/zinc/81/81/32/569818132.db2.gz NVTAQODLHBKFID-TZRRMPRUSA-N 0 3 497.378 5.833 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@@H]3C2=O)cc1 ZINC000102734248 569818391 /nfs/dbraw/zinc/81/83/91/569818391.db2.gz BLEWUOTVXDZSIJ-KMDXXIMOSA-N 0 3 462.933 5.180 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102733080 569818464 /nfs/dbraw/zinc/81/84/64/569818464.db2.gz MBCNFBVUAFGFST-RJGXRXQPSA-N 0 3 473.891 5.078 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102736738 569818721 /nfs/dbraw/zinc/81/87/21/569818721.db2.gz XHYRUJWPXZAJNZ-PCCBWWKXSA-N 0 3 457.288 5.184 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102738726 569818996 /nfs/dbraw/zinc/81/89/96/569818996.db2.gz BKYIARLKJGAZHF-CCDWMCETSA-N 0 3 489.358 6.198 50 0 JKAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000102741770 569819171 /nfs/dbraw/zinc/81/91/71/569819171.db2.gz IGYJUWUTOCSWLQ-BHIFYINESA-N 0 3 453.325 5.353 50 0 JKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102749394 569820692 /nfs/dbraw/zinc/82/06/92/569820692.db2.gz DIDRDADLVCXBRP-TWJOJJKGSA-N 0 3 490.531 5.064 50 0 JKAAHN O=C(CNC1(c2ccc(Br)cc2)CCOCC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000040155687 569820887 /nfs/dbraw/zinc/82/08/87/569820887.db2.gz PQRBRDLSKQFZFK-UHFFFAOYSA-N 0 3 486.454 5.064 50 0 JKAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000102758064 569821465 /nfs/dbraw/zinc/82/14/65/569821465.db2.gz IXBALEIDQQGARE-BHDDXSALSA-N 0 3 469.324 5.053 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4C)[C@H]3C2=O)cc1 ZINC000102762684 569822498 /nfs/dbraw/zinc/82/24/98/569822498.db2.gz YLBGUIGLMBCHGJ-UODIDJSMSA-N 0 3 456.542 5.143 50 0 JKAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)c1 ZINC000102764521 569822721 /nfs/dbraw/zinc/82/27/21/569822721.db2.gz XXABJDWWKJLUQA-BHIFYINESA-N 0 3 469.324 5.053 50 0 JKAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c1 ZINC000102764518 569822726 /nfs/dbraw/zinc/82/27/26/569822726.db2.gz XXABJDWWKJLUQA-FDFHNCONSA-N 0 3 469.324 5.053 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c(C)c1 ZINC000102765965 569822894 /nfs/dbraw/zinc/82/28/94/569822894.db2.gz PINIHTSUYLLQKH-RJGXRXQPSA-N 0 3 450.897 5.147 50 0 JKAAHN Cc1ccc2nc(-c3ccccc3F)cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2c1 ZINC000040363026 569824159 /nfs/dbraw/zinc/82/41/59/569824159.db2.gz UQGBVFLNGJVDFO-UHFFFAOYSA-N 0 3 453.561 5.744 50 0 JKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1CN1CCCC[C@H]1c1cccnc1 ZINC000102951087 569829814 /nfs/dbraw/zinc/82/98/14/569829814.db2.gz OGINYXKCGXTSFR-XCZPVHLTSA-N 0 3 452.602 5.534 50 0 JKAAHN O=C(NC1CCCC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000049535961 569848194 /nfs/dbraw/zinc/84/81/94/569848194.db2.gz KOQNVSMTFMWHJA-UHFFFAOYSA-N 0 3 450.026 5.614 50 0 JKAAHN Cc1cccc(CN2CCc3ccc(O[C@H](C)C(=O)NCC(C)C)cc3[C@H]2c2ccccc2)c1 ZINC000105022460 569851119 /nfs/dbraw/zinc/85/11/19/569851119.db2.gz PETXHXVPZODTIH-RNWIMVQKSA-N 0 3 456.630 5.682 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)[C@H](C)CC ZINC000105012940 569851246 /nfs/dbraw/zinc/85/12/46/569851246.db2.gz WOBFMMXUQLTEOH-XMSQKQJNSA-N 0 3 473.564 5.249 50 0 JKAAHN Cc1cccc(CN2CCc3ccc(O[C@H](C)C(=O)NCCC(C)C)cc3[C@@H]2c2ccccc2)c1 ZINC000105023101 569851444 /nfs/dbraw/zinc/85/14/44/569851444.db2.gz AYYONEXDWRYLLW-HLADLETHSA-N 0 3 470.657 6.072 50 0 JKAAHN COc1cccc([C@@H]2CN(Cc3ccc[nH]3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000105041341 569851587 /nfs/dbraw/zinc/85/15/87/569851587.db2.gz XOVCGJQEXIUTHS-KCWPFWIISA-N 0 3 463.597 5.176 50 0 JKAAHN Cc1cc(CN2C[C@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)oc1C ZINC000105042185 569851637 /nfs/dbraw/zinc/85/16/37/569851637.db2.gz FJOVDSHYEBCOSH-LEAFIULHSA-N 0 3 462.609 6.050 50 0 JKAAHN Cc1ccccc1[C@H]1CN(Cc2ccco2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000105042066 569851647 /nfs/dbraw/zinc/85/16/47/569851647.db2.gz ADDHYRFDVZGMRR-SVEHJYQDSA-N 0 3 456.630 6.279 50 0 JKAAHN COc1cc(CN2C[C@@H](c3ccc(F)cc3)[C@H](CN(CC(C)C)C(=O)c3ccccc3)C2)ccc1O ZINC000105042194 569851687 /nfs/dbraw/zinc/85/16/87/569851687.db2.gz GVYLDOMJLRWJFL-BDYUSTAISA-N 0 3 490.619 5.554 50 0 JKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000105042449 569851841 /nfs/dbraw/zinc/85/18/41/569851841.db2.gz XKJBOOBHGDFFRS-LBNVMWSVSA-N 0 3 461.049 6.415 50 0 JKAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000135779579 569864467 /nfs/dbraw/zinc/86/44/67/569864467.db2.gz VAWKIFVVJANQRK-BHDDXSALSA-N 0 3 469.324 5.053 50 0 JKAAHN Cc1ccc(Cl)cc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C1=O ZINC000137605785 569865094 /nfs/dbraw/zinc/86/50/94/569865094.db2.gz YFEBEVINXQOVED-FDFHNCONSA-N 0 3 497.776 5.462 50 0 JKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000137838185 569865318 /nfs/dbraw/zinc/86/53/18/569865318.db2.gz SCDMWIVARPGQQM-BHDDXSALSA-N 0 3 497.776 5.462 50 0 JKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1OC ZINC000137838240 569865347 /nfs/dbraw/zinc/86/53/47/569865347.db2.gz DIDRDADLVCXBRP-JIMJEQGWSA-N 0 3 490.531 5.064 50 0 JKAAHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000137882512 569865486 /nfs/dbraw/zinc/86/54/86/569865486.db2.gz IXBALEIDQQGARE-FDFHNCONSA-N 0 3 469.324 5.053 50 0 JKAAHN O=C(c1ccccc1)[C@H]1CN(Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000140336246 569867364 /nfs/dbraw/zinc/86/73/64/569867364.db2.gz IPWAFJULWVHAIF-BKHFGAQXSA-N 0 3 459.589 6.284 50 0 JKAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCC[C@@H]6CCCC[C@@H]65)C4=O)cc3)sc2c1 ZINC000169620582 569868384 /nfs/dbraw/zinc/86/83/84/569868384.db2.gz AAUUMHAFSZYNOZ-TZYHBYERSA-N 0 3 459.615 5.558 50 0 JKAAHN C[C@H](NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@@H]12)c1ccccc1 ZINC000169677759 569868847 /nfs/dbraw/zinc/86/88/47/569868847.db2.gz USZLTFXXAPXIGE-UODBTFMRSA-N 0 3 471.567 5.188 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000169677802 569868901 /nfs/dbraw/zinc/86/89/01/569868901.db2.gz KVAVRNVXBLSTPT-WIOPSUGQSA-N 0 3 479.665 6.058 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000169678890 569869242 /nfs/dbraw/zinc/86/92/42/569869242.db2.gz STHXDYSJWCCWGU-XUZZJYLKSA-N 0 3 451.611 5.359 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)C ZINC000169678921 569869425 /nfs/dbraw/zinc/86/94/25/569869425.db2.gz KQYJAQZLNOMSBI-JTHBVZDNSA-N 0 3 451.611 5.266 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)(C)C ZINC000169679086 569869484 /nfs/dbraw/zinc/86/94/84/569869484.db2.gz PDZJRYUJRMHQMZ-WIOPSUGQSA-N 0 3 479.665 6.058 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COCC(C)C ZINC000169680018 569870076 /nfs/dbraw/zinc/87/00/76/569870076.db2.gz WTKFVCJZKFJSMO-UKILVPOCSA-N 0 3 479.665 5.822 50 0 JKAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)[C@@H](C)CC ZINC000169680305 569870391 /nfs/dbraw/zinc/87/03/91/569870391.db2.gz WOBFMMXUQLTEOH-PGRDOPGGSA-N 0 3 473.564 5.249 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000169680370 569870519 /nfs/dbraw/zinc/87/05/19/569870519.db2.gz LFNPGAZHABVBTM-HYBUGGRVSA-N 0 3 483.628 5.889 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000169680608 569870588 /nfs/dbraw/zinc/87/05/88/569870588.db2.gz PNSFRKJRAJXYBE-RCZVLFRGSA-N 0 3 495.664 5.616 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000169680959 569870752 /nfs/dbraw/zinc/87/07/52/569870752.db2.gz IXTRLJCWBXASNP-ZJSXRUAMSA-N 0 3 481.637 5.368 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000169681987 569871014 /nfs/dbraw/zinc/87/10/14/569871014.db2.gz CJHGTQUQRFRYBS-BVAGGSTKSA-N 0 3 499.655 6.092 50 0 JKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000226825643 570038719 /nfs/dbraw/zinc/03/87/19/570038719.db2.gz ZJLRIAFKGZDUFS-WXFUMESZSA-N 0 3 492.362 5.834 50 0 JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N21 ZINC000226838803 570038919 /nfs/dbraw/zinc/03/89/19/570038919.db2.gz XSQCPFOFYOILOK-TXQUNOLYSA-N 0 3 480.539 5.086 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000226989153 570039686 /nfs/dbraw/zinc/03/96/86/570039686.db2.gz GSCIUQJEBZPKDM-PCCBWWKXSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000229953166 570042586 /nfs/dbraw/zinc/04/25/86/570042586.db2.gz COTZMDSNSBKJSY-ISJGIBHGSA-N 0 3 489.358 6.198 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000229953166 570042587 /nfs/dbraw/zinc/04/25/87/570042587.db2.gz COTZMDSNSBKJSY-ISJGIBHGSA-N 0 3 489.358 6.198 50 0 JKAAHN O=C1[C@@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000229952612 570042695 /nfs/dbraw/zinc/04/26/95/570042695.db2.gz IWVMXDZNASXNLL-ISJGIBHGSA-N 0 3 489.358 6.198 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000229952612 570042696 /nfs/dbraw/zinc/04/26/96/570042696.db2.gz IWVMXDZNASXNLL-ISJGIBHGSA-N 0 3 489.358 6.198 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229989292 570043272 /nfs/dbraw/zinc/04/32/72/570043272.db2.gz MQPPHYGHLMXTPS-YTFSRNRJSA-N 0 3 490.346 5.593 50 0 JKAAHN O=C1[C@@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000230007966 570043431 /nfs/dbraw/zinc/04/34/31/570043431.db2.gz VPUQDMIIANHJIA-PWRODBHTSA-N 0 3 483.749 5.154 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cccc(Br)c1 ZINC000230007966 570043432 /nfs/dbraw/zinc/04/34/32/570043432.db2.gz VPUQDMIIANHJIA-PWRODBHTSA-N 0 3 483.749 5.154 50 0 JKAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000230021538 570043542 /nfs/dbraw/zinc/04/35/42/570043542.db2.gz ILMPGOMHZRFJFW-YTFSRNRJSA-N 0 3 483.351 5.443 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(Br)c4)[C@@H]3C2=O)c(C)c1 ZINC000230020955 570043552 /nfs/dbraw/zinc/04/35/52/570043552.db2.gz HBQJJBSTVTVRNC-YTFSRNRJSA-N 0 3 477.358 5.117 50 0 JKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000230023862 570043561 /nfs/dbraw/zinc/04/35/61/570043561.db2.gz CFBQIAMWYCHNHS-UPRLRBBYSA-N 0 3 498.623 6.214 50 0 JKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000230037942 570043896 /nfs/dbraw/zinc/04/38/96/570043896.db2.gz CPVCJMVMLUVMEX-YTFSRNRJSA-N 0 3 498.457 5.035 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@H]2C(=O)N1c1cccc(-c2ccccc2)c1 ZINC000230043899 570043966 /nfs/dbraw/zinc/04/39/66/570043966.db2.gz CMEDXUQINCEJCE-KWXIBIRDSA-N 0 3 464.496 5.544 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000230054395 570044033 /nfs/dbraw/zinc/04/40/33/570044033.db2.gz QFJKRRSVWVMFHB-PWRODBHTSA-N 0 3 483.749 5.154 50 0 JKAAHN Cc1ccccc1[C@@H]1CN(Cc2cccn2C)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000230155434 570045953 /nfs/dbraw/zinc/04/59/53/570045953.db2.gz OCPPNMIEVSNRMK-SETSBSEESA-N 0 3 487.663 6.163 50 0 JKAAHN Cc1ccc([C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000230155855 570046118 /nfs/dbraw/zinc/04/61/18/570046118.db2.gz OAULFGPORZLVKB-RRPNLBNLSA-N 0 3 470.613 5.490 50 0 JKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000239310119 570050664 /nfs/dbraw/zinc/05/06/64/570050664.db2.gz IDHSWRAXURQYND-UFHPHHKVSA-N 0 3 451.545 5.797 50 0 JKAAHN C[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)Cc1ccccc1Cl ZINC000245309644 570062943 /nfs/dbraw/zinc/06/29/43/570062943.db2.gz DOEPBBBBSKBRKS-KPCIKYAGSA-N 0 3 474.859 7.278 50 0 JKAAHN CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000245312344 570063789 /nfs/dbraw/zinc/06/37/89/570063789.db2.gz UOCPEYAAYOJILM-NXNJFABFSA-N 0 3 486.930 5.041 50 0 JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000245312344 570063790 /nfs/dbraw/zinc/06/37/90/570063790.db2.gz UOCPEYAAYOJILM-NXNJFABFSA-N 0 3 486.930 5.041 50 0 JKAAHN CCC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)CC1CC1 ZINC000245325563 570064323 /nfs/dbraw/zinc/06/43/23/570064323.db2.gz AVTYXMFEUXFNJY-ZEQKJWHPSA-N 0 3 484.706 5.249 50 0 JKAAHN CCCC[C@H](CC)C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2)C[C@H]1C ZINC000245329614 570066339 /nfs/dbraw/zinc/06/63/39/570066339.db2.gz UCTSYTFDLKIFMS-AWVRMFGXSA-N 0 3 495.733 5.361 50 0 JKAAHN CC(C)N(C[C@@H]1CN(Cc2ccsc2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000247963556 570071637 /nfs/dbraw/zinc/07/16/37/570071637.db2.gz ASIUWBFGNSGBDU-DHLKQENFSA-N 0 3 454.586 5.793 50 0 JKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccccc2F)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248118615 570074432 /nfs/dbraw/zinc/07/44/32/570074432.db2.gz WKPVCXXRLAMWQM-BHBYDHKZSA-N 0 3 484.659 6.825 50 0 JKAAHN COCCN(C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248144588 570075281 /nfs/dbraw/zinc/07/52/81/570075281.db2.gz DHAGJVWJCBQOKF-URXFXBBRSA-N 0 3 480.546 5.191 50 0 JKAAHN CC(C)CN(C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000248262885 570077030 /nfs/dbraw/zinc/07/70/30/570077030.db2.gz WUTABGFAVRNUOA-SQHAQQRYSA-N 0 3 479.039 6.493 50 0 JKAAHN CN(Cc1ccccc1)Cc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000252486102 570081816 /nfs/dbraw/zinc/08/18/16/570081816.db2.gz FPILGNDXDJGPGG-FCMXBYMOSA-N 0 3 461.049 6.770 50 0 JKAAHN CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)C3(N)CCCC3)cc2)CC1 ZINC000252510835 570082733 /nfs/dbraw/zinc/08/27/33/570082733.db2.gz CAVLTFOQSIKLIH-UILWBTOOSA-N 0 3 454.014 5.348 50 0 JKAAHN CC(=O)N(CC(C)C)C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1c1ccc(F)cc1 ZINC000253388920 570095473 /nfs/dbraw/zinc/09/54/73/570095473.db2.gz JXIPSSVBZUTZCA-QPPBQGQZSA-N 0 3 450.520 5.565 50 0 JKAAHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)n2nc(C(C)(C)C)cc2n1 ZINC000253476145 570099566 /nfs/dbraw/zinc/09/95/66/570099566.db2.gz GMFHHCFJJZWFBW-UHFFFAOYSA-N 0 3 473.596 5.037 50 0 in-vitro JKAAHN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253499175 570100904 /nfs/dbraw/zinc/10/09/04/570100904.db2.gz CYXPZJSOSYXEMC-MUDWTVPXSA-N 0 3 455.683 5.942 50 0 biogenic JKAAHN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCN5CCCC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253612733 570104841 /nfs/dbraw/zinc/10/48/41/570104841.db2.gz IQWDZXKZGAIZNS-AHOPAHISSA-N 0 3 483.737 6.578 50 0 JKAAHN COc1ccc(-c2nc3cc(SC)ccc3cc2CNC[C@H]2COc3ccccc3O2)cc1 ZINC000299797144 570177437 /nfs/dbraw/zinc/17/74/37/570177437.db2.gz RNEOIVBURVULBS-QFIPXVFZSA-N 0 3 458.583 5.562 50 0 JKAAHN O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000000538275 193858017 /nfs/dbraw/zinc/85/80/17/193858017.db2.gz GZUITABIAKMVPG-UHFFFAOYSA-N 0 3 473.594 6.075 50 0 aggregator,fda JKAAHN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@]32C)cc1 ZINC000001424717 194118837 /nfs/dbraw/zinc/11/88/37/194118837.db2.gz CLMOVBXGSYWPNR-HWBMXIPRSA-N 0 3 483.351 5.443 50 0 JKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1COc1ccccc1C1CCCCC1 ZINC000001789948 194140975 /nfs/dbraw/zinc/14/09/75/194140975.db2.gz FIQQLJZRRJZKJB-PMERELPUSA-N 0 3 466.625 7.038 50 0 biogenic,in-vitro JKAAHN Cc1ccc(NC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1Cl ZINC000002960440 194181304 /nfs/dbraw/zinc/18/13/04/194181304.db2.gz WIAQKEHRYISYJJ-UHFFFAOYSA-N 0 3 474.008 5.476 50 0 JKAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NC1CCCCC1 ZINC000002968005 194185655 /nfs/dbraw/zinc/18/56/55/194185655.db2.gz USEVRQNOTWRXFA-OAQYLSRUSA-N 0 3 481.021 5.071 50 0 JKAAHN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCC(C)CC2)cc1Cl ZINC000002971946 194189134 /nfs/dbraw/zinc/18/91/34/194189134.db2.gz DNTDOLYFQCGBGS-UHFFFAOYSA-N 0 3 499.080 5.211 50 0 JKAAHN Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCN3CCCC3)cc2)C1=O ZINC000003063802 194222942 /nfs/dbraw/zinc/22/29/42/194222942.db2.gz AHWNHLWJXMMYSR-VFCFBJKWSA-N 0 3 497.664 5.501 50 0 JKAAHN CCOC(=O)c1c2cc(OC[C@H](O)CN(C)Cc3ccccc3)ccc2oc1-c1ccccc1 ZINC000003253318 194252446 /nfs/dbraw/zinc/25/24/46/194252446.db2.gz XBSCYUWQHSORRO-JOCHJYFZSA-N 0 3 459.542 5.148 50 0 JKAAHN COc1ccc(S(=O)(=O)[N-]c2ccccc2C[N@H+](C)C2CCCCC2)cc1Br ZINC000003441911 194325714 /nfs/dbraw/zinc/32/57/14/194325714.db2.gz CDFOHXPKEUWJHE-UHFFFAOYSA-N 0 3 467.429 5.023 50 0 JKAAHN COc1ccc(S(=O)(=O)[N-]c2ccccc2C[N@@H+](C)C2CCCCC2)cc1Br ZINC000003441911 194325717 /nfs/dbraw/zinc/32/57/17/194325717.db2.gz CDFOHXPKEUWJHE-UHFFFAOYSA-N 0 3 467.429 5.023 50 0 JKAAHN CN1c2cc(C(=O)N3CCN(C4CCCCC4)CC3)ccc2S/C(=C/c2ccccc2Cl)C1=O ZINC000003589122 194339790 /nfs/dbraw/zinc/33/97/90/194339790.db2.gz OFEXKYHOXBWWKJ-XIEYBQDHSA-N 0 3 496.076 5.540 50 0 JKAAHN COc1ccc(Nc2c3cc(NC(=O)/C=C/c4ccc(C)cc4)ccc3nc3c2CCCC3)cc1OC ZINC000003646081 194348623 /nfs/dbraw/zinc/34/86/23/194348623.db2.gz RLORRRCURHWGKH-SFQUDFHCSA-N 0 3 493.607 6.835 50 0 JKAAHN Cc1cc(N2CCN(c3nc(N4CCc5ccccc5C4)nc4ccccc43)CC2)c2ccccc2n1 ZINC000003672765 194358997 /nfs/dbraw/zinc/35/89/97/194358997.db2.gz NFPCNJCGNALBBA-UHFFFAOYSA-N 0 3 486.623 5.376 50 0 JKAAHN COc1ccc(C2=C(CN3CCCCC3)[C@H](Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000003771945 194361433 /nfs/dbraw/zinc/36/14/33/194361433.db2.gz YNBXELIPHXQOHQ-RUZDIDTESA-N 0 3 455.598 6.320 50 0 JKAAHN Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(C(C)C)cc3s2)o1 ZINC000009187592 194584247 /nfs/dbraw/zinc/58/42/47/194584247.db2.gz FNJIBSZQRFOARX-JOCHJYFZSA-N 0 3 456.523 6.177 50 0 JKAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4nnc(-c5ccc(C)cc5)o4)cc3)cc2)CC1 ZINC000009782421 194961480 /nfs/dbraw/zinc/96/14/80/194961480.db2.gz YMHYESXFHQPIIH-UHFFFAOYSA-N 0 3 467.573 5.106 50 0 JKAAHN COc1cc(CN2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)ccc1OCc1ccccc1 ZINC000009933458 195025295 /nfs/dbraw/zinc/02/52/95/195025295.db2.gz HFDOZWGTNPWQKV-HHHXNRCGSA-N 0 3 470.613 5.071 50 0 JKAAHN CCN1CCN(c2ccc(NC(=O)CSc3ncnc4scc(-c5ccccc5)c43)cc2)CC1 ZINC000012608390 195052770 /nfs/dbraw/zinc/05/27/70/195052770.db2.gz QQMAGZOEURRFCQ-UHFFFAOYSA-N 0 3 489.670 5.231 50 0 JKAAHN Cc1cccc(/C=C2/Sc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3N(C)C2=O)c1 ZINC000020734501 195212157 /nfs/dbraw/zinc/21/21/57/195212157.db2.gz AFWYZWNPUKPJHY-MTDXEUNCSA-N 0 3 497.664 5.499 50 0 JKAAHN COc1ccccc1Oc1coc2c(ccc3c2CN(C[C@@H]2CCCN4CCCC[C@H]24)CO3)c1=O ZINC000020763427 195219591 /nfs/dbraw/zinc/21/95/91/195219591.db2.gz GWPIUSSYLMFOLM-SIKLNZKXSA-N 0 3 476.573 5.010 50 0 biogenic JKAAHN Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000020784033 195224830 /nfs/dbraw/zinc/22/48/30/195224830.db2.gz JMGNWAWVAOAAEZ-QFIPXVFZSA-N 0 3 456.540 6.172 50 0 JKAAHN COc1ccc(F)c(CN2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)c1 ZINC000020996920 195264983 /nfs/dbraw/zinc/26/49/83/195264983.db2.gz YWYAWGDLZBVAFA-QFIPXVFZSA-N 0 3 468.576 6.041 50 0 JKAAHN O=C(CSc1ncnc2c1sc1cccc(F)c12)NCCN1CCC(Cc2ccccc2)CC1 ZINC000021153468 195284313 /nfs/dbraw/zinc/28/43/13/195284313.db2.gz REORQXNMBCHLQD-UHFFFAOYSA-N 0 3 494.661 5.147 50 0 JKAAHN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)N3CCN(C4CCCCC4)CC3)CC2)cc1 ZINC000021162722 195288129 /nfs/dbraw/zinc/28/81/29/195288129.db2.gz OPWXDNUMSBCWIR-UHFFFAOYSA-N 0 3 499.703 5.086 50 0 JKAAHN Cc1cccc(Cn2c3ccccc3nc2N2CCC(C(=O)N3CCN(C4CCCCC4)CC3)CC2)c1 ZINC000021162825 195288392 /nfs/dbraw/zinc/28/83/92/195288392.db2.gz HZFVQRYYSCSUIA-UHFFFAOYSA-N 0 3 499.703 5.086 50 0 JKAAHN O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934254 195335926 /nfs/dbraw/zinc/33/59/26/195335926.db2.gz LDOAYIQKVOSJEF-UHFFFAOYSA-N 0 3 454.549 5.078 50 0 JKAAHN Cc1ccc(CN2CCC(CNC(=O)c3cc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000021934590 195335942 /nfs/dbraw/zinc/33/59/42/195335942.db2.gz SLSXYEXANGYKPY-UHFFFAOYSA-N 0 3 450.586 5.247 50 0 JKAAHN Cc1c(NC(=O)[C@@H](C)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057503158 195348552 /nfs/dbraw/zinc/34/85/52/195348552.db2.gz FWWQCXWXLHPWNX-NTKDMRAZSA-N 0 3 462.638 5.096 50 0 JKAAHN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000058160772 195368963 /nfs/dbraw/zinc/36/89/63/195368963.db2.gz SNDGDDCUOQMQIB-UHFFFAOYSA-N 0 3 452.558 5.225 50 0 JKAAHN Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(CN4C[C@@H](C)O[C@H](C)C4)CC3)o2)cc1 ZINC000058312990 195377179 /nfs/dbraw/zinc/37/71/79/195377179.db2.gz VGUNBNCPIHBVCR-FGZHOGPDSA-N 0 3 473.617 5.278 50 0 JKAAHN Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(CN4C[C@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000058312992 195377190 /nfs/dbraw/zinc/37/71/90/195377190.db2.gz VGUNBNCPIHBVCR-VXKWHMMOSA-N 0 3 473.617 5.278 50 0 JKAAHN CC1=C2C[C@@H]3[C@H](CN4CCN(c5cccc(C(F)(F)F)c5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000059410478 195399173 /nfs/dbraw/zinc/39/91/73/195399173.db2.gz JWYNWNZVYGMCGY-SWXWDQRWSA-N 0 3 462.556 5.286 50 0 biogenic JKAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)[C@H]3C=C12 ZINC000059415263 195399412 /nfs/dbraw/zinc/39/94/12/195399412.db2.gz GSMYBZVVBLIYIV-WAUXFYSMSA-N 0 3 463.449 5.430 50 0 biogenic JKAAHN CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253532696 195476862 /nfs/dbraw/zinc/47/68/62/195476862.db2.gz YFNPVWRSYRXVRN-NZFCJIPRSA-N 0 3 485.709 5.303 50 0 JKAAHN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)C1CCCCC1)NCCN1CCCC1 ZINC000096275427 130011372 /nfs/dbraw/zinc/01/13/72/130011372.db2.gz PHIMLTNVXJWSHD-HHHXNRCGSA-N 0 3 457.662 5.956 50 0 JKAAHN Cc1cccc(CN(C[C@H](Oc2ccc(F)c(F)c2)C(=O)Nc2ccc(F)cc2)C[C@@H]2CCCO2)c1 ZINC000096281487 130027703 /nfs/dbraw/zinc/02/77/03/130027703.db2.gz INLGJIOMGLNXQN-IGKIAQTJSA-N 0 3 498.545 5.480 50 0 JKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000102912256 130387596 /nfs/dbraw/zinc/38/75/96/130387596.db2.gz YCKZIYVRIPZFNG-DNVJHFABSA-N 0 3 499.350 5.062 50 0 JKAAHN CC(C)N(CCn1c(=O)c2ccccc2nc1S[C@@H](C)c1nc(-c2cccs2)no1)C(C)C ZINC000026039950 519651542 /nfs/dbraw/zinc/65/15/42/519651542.db2.gz KRFLZEAASKIUJU-KRWDZBQOSA-N 0 3 483.663 5.480 50 0 JKAAHN CC(C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036307060 519653335 /nfs/dbraw/zinc/65/33/35/519653335.db2.gz IWMYIYITQCYYAI-QFIPXVFZSA-N 0 3 469.601 5.405 50 0 JKAAHN CC(C)CCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055715 519656009 /nfs/dbraw/zinc/65/60/09/519656009.db2.gz YHMRIEPQEWQAHU-UHFFFAOYSA-N 0 3 452.042 5.717 50 0 JKAAHN CC(=O)Nc1ccc(-c2cc(C(=O)NCCN(C)Cc3ccccc3)c3cc(C)ccc3n2)cc1 ZINC000033106399 519707906 /nfs/dbraw/zinc/70/79/06/519707906.db2.gz HJXYVPXKEBEFJI-UHFFFAOYSA-N 0 3 466.585 5.030 50 0 JKAAHN CC(=O)Nc1ccc(CN2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)cc1 ZINC000012279531 519716000 /nfs/dbraw/zinc/71/60/00/519716000.db2.gz XLBTZVOIZDDHPV-SANMLTNESA-N 0 3 494.035 5.487 50 0 JKAAHN CC(C)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COc1ccccc1 ZINC000036151087 519717996 /nfs/dbraw/zinc/71/79/96/519717996.db2.gz YOWXVSDFMLEPGX-XMMPIXPASA-N 0 3 463.622 5.230 50 0 JKAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C3CCCCC3)CC2)[C@@H]1c1cccs1 ZINC000020508426 519719709 /nfs/dbraw/zinc/71/97/09/519719709.db2.gz MQEHXQLGHLSHHE-FTJBHMTQSA-N 0 3 479.690 5.162 50 0 JKAAHN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC(C)C ZINC000036307381 519757644 /nfs/dbraw/zinc/75/76/44/519757644.db2.gz IBWSLOAYTNGLTJ-XMMPIXPASA-N 0 3 483.628 5.510 50 0 JKAAHN CC(C)OC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307280 519771753 /nfs/dbraw/zinc/77/17/53/519771753.db2.gz OAGCIGIWWIHMEA-QHCPKHFHSA-N 0 3 467.585 5.016 50 0 JKAAHN CC(C)OC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305205 519773851 /nfs/dbraw/zinc/77/38/51/519773851.db2.gz BHTPWWKFJTZKPY-HSZRJFAPSA-N 0 3 484.040 5.531 50 0 JKAAHN CCCC(=O)OC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036306603 519881455 /nfs/dbraw/zinc/88/14/55/519881455.db2.gz ALZRAYVPCVXYNM-XMMPIXPASA-N 0 3 491.632 5.104 50 0 JKAAHN CCCOc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000046055481 520354579 /nfs/dbraw/zinc/35/45/79/520354579.db2.gz FLMAZAGMGNYHDV-UHFFFAOYSA-N 0 3 495.667 6.007 50 0 JKAAHN CCCCN(C)C(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055566 520369237 /nfs/dbraw/zinc/36/92/37/520369237.db2.gz FQAVTHWWWBZJLY-UHFFFAOYSA-N 0 3 452.042 5.814 50 0 JKAAHN CCOc1cc(CN2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)ccc1OC ZINC000014995407 520699685 /nfs/dbraw/zinc/69/96/85/520699685.db2.gz YDDSLZHZDLVEPF-IRLDBZIGSA-N 0 3 476.539 5.126 50 0 JKAAHN CCN(CC)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cc(F)ccc1C ZINC000014961550 520742278 /nfs/dbraw/zinc/74/22/78/520742278.db2.gz GKDNEFKMXWJTRR-UHFFFAOYSA-N 0 3 464.537 5.389 50 0 JKAAHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(C(C)C)cc1 ZINC000021807555 520838554 /nfs/dbraw/zinc/83/85/54/520838554.db2.gz OHBBRVSRHSZUOY-QHCPKHFHSA-N 0 3 463.578 5.049 50 0 JKAAHN CCN(CC)c1onc(-c2ccccc2)c1CN(CCC(C)C)C[C@H](O)COCc1ccco1 ZINC000036248927 520935696 /nfs/dbraw/zinc/93/56/96/520935696.db2.gz OGIZWKNYOXVUMA-QHCPKHFHSA-N 0 3 469.626 5.207 50 0 JKAAHN CCOc1ccc(CN(Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)CC(C)C)cc1 ZINC000033268842 520964344 /nfs/dbraw/zinc/96/43/44/520964344.db2.gz POZPZABUXATKOV-UHFFFAOYSA-N 0 3 465.594 5.619 50 0 JKAAHN CCC(=O)N(CCN1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1 ZINC000036124413 521087366 /nfs/dbraw/zinc/08/73/66/521087366.db2.gz HENCLEGTWWESHB-UHFFFAOYSA-N 0 3 456.439 5.253 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000036308269 521678149 /nfs/dbraw/zinc/67/81/49/521678149.db2.gz ULYYVFNGQMTUSI-JOCHJYFZSA-N 0 3 451.611 5.267 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036307675 521678184 /nfs/dbraw/zinc/67/81/84/521678184.db2.gz XYYBSOCHTFIZRV-RUZDIDTESA-N 0 3 473.592 5.834 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000036307638 521678464 /nfs/dbraw/zinc/67/84/64/521678464.db2.gz XZEAMXVMUJPJPP-XMMPIXPASA-N 0 3 489.591 5.670 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036305559 521678483 /nfs/dbraw/zinc/67/84/83/521678483.db2.gz XZBGIITTWJEHLV-QFIPXVFZSA-N 0 3 481.637 5.276 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)Cc1ccccc1 ZINC000036305535 521678602 /nfs/dbraw/zinc/67/86/02/521678602.db2.gz DJODSQHKFHLBMW-RUZDIDTESA-N 0 3 485.628 5.704 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000036305889 521678633 /nfs/dbraw/zinc/67/86/33/521678633.db2.gz QMVSHUWDYKRBQD-VWLOTQADSA-N 0 3 485.628 5.704 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](O)Cc1ccccc1 ZINC000036305537 521678723 /nfs/dbraw/zinc/67/87/23/521678723.db2.gz DJODSQHKFHLBMW-VWLOTQADSA-N 0 3 485.628 5.704 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036306255 521678795 /nfs/dbraw/zinc/67/87/95/521678795.db2.gz ICDUGSIHWBBXCU-QHCPKHFHSA-N 0 3 481.637 5.134 50 0 JKAAHN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)Cc1ccccc1 ZINC000036303905 521679354 /nfs/dbraw/zinc/67/93/54/521679354.db2.gz FTVZPBWBEBBFDB-AREMUKBSSA-N 0 3 485.628 5.797 50 0 JKAAHN CCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036249849 521679708 /nfs/dbraw/zinc/67/97/08/521679708.db2.gz CUDXLMUSKRSRKK-RUZDIDTESA-N 0 3 463.622 5.122 50 0 JKAAHN CCN1CCN(CCCNC(=O)c2sc3c(cnc4ccccc34)c2-c2ccc(C)c(C)c2)CC1 ZINC000045943857 521681855 /nfs/dbraw/zinc/68/18/55/521681855.db2.gz OUMQFLBTRDDUCJ-UHFFFAOYSA-N 0 3 486.685 5.491 50 0 JKAAHN CCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccc(C)c1 ZINC000036203499 521682524 /nfs/dbraw/zinc/68/25/24/521682524.db2.gz ICKXTJKHRZRMLB-UHFFFAOYSA-N 0 3 461.552 6.563 50 0 JKAAHN CN(C)CCNC(=O)C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1 ZINC000033516069 521777943 /nfs/dbraw/zinc/77/79/43/521777943.db2.gz UPUJKYJHKKUNPH-RUZDIDTESA-N 0 3 478.011 5.682 50 0 JKAAHN COc1cc(CN2CCC(n3c(Cc4ccc(F)cc4)nc4cccnc43)CC2)cc(OC)c1OC ZINC000014884022 522369651 /nfs/dbraw/zinc/36/96/51/522369651.db2.gz KBMJNXMOMDSCJU-UHFFFAOYSA-N 0 3 490.579 5.024 50 0 JKAAHN COc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000004418499 522438699 /nfs/dbraw/zinc/43/86/99/522438699.db2.gz WPFFIMGBXUEJIK-UHFFFAOYSA-N 0 3 463.199 5.204 50 0 JKAAHN COc1cc(CNCc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000016447790 522467888 /nfs/dbraw/zinc/46/78/88/522467888.db2.gz LWUPYUZCCDUHON-UHFFFAOYSA-N 0 3 469.379 5.073 50 0 JKAAHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OCC(=O)NCc1ccccc1 ZINC000016382630 522473325 /nfs/dbraw/zinc/47/33/25/522473325.db2.gz PVMHFZTWNQQGEA-SFHVURJKSA-N 0 3 483.406 5.004 50 0 JKAAHN CN(CCCNC(=O)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1)Cc1ccccc1 ZINC000033258019 522770362 /nfs/dbraw/zinc/77/03/62/522770362.db2.gz OIEDJMOXZPKETR-UHFFFAOYSA-N 0 3 451.574 5.139 50 0 JKAAHN COc1cc([C@H](C)NCc2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)ccc1OCCO ZINC000048275573 522944205 /nfs/dbraw/zinc/94/42/05/522944205.db2.gz WNWSUDFKZDRENE-QHCPKHFHSA-N 0 3 485.628 5.446 50 0 JKAAHN COc1ccc(-c2csc3nc(CN(Cc4ccc(Cl)cc4)CC(C)C)cc(=O)n23)cc1 ZINC000033268811 523172066 /nfs/dbraw/zinc/17/20/66/523172066.db2.gz DYLHTMDPAFZVPH-UHFFFAOYSA-N 0 3 468.022 5.743 50 0 JKAAHN CN(Cc1ccc(OC2CCN(C(=O)Cc3ccsc3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000012244747 523273583 /nfs/dbraw/zinc/27/35/83/523273583.db2.gz KUSHDAFTKQRRLS-UHFFFAOYSA-N 0 3 485.653 5.541 50 0 JKAAHN CN(Cc1cscn1)C(=O)[C@H]1CC12CCN(Cc1cn(-c3ccccc3)nc1-c1ccccc1)CC2 ZINC000014882169 523535018 /nfs/dbraw/zinc/53/50/18/523535018.db2.gz BXHOKFLLCOIQPW-AREMUKBSSA-N 0 3 497.668 5.257 50 0 JKAAHN CN(Cc1cscn1)C(=O)[C@@H]1CC12CCN(Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000014883388 523535966 /nfs/dbraw/zinc/53/59/66/523535966.db2.gz VFMYEXGEQZXQDB-FQEVSTJZSA-N 0 3 456.011 5.317 50 0 JKAAHN COc1ccc(C(=O)N(CCN(C)C)Cc2csc(COc3cc(Cl)ccc3Cl)n2)cc1 ZINC000036124484 523613400 /nfs/dbraw/zinc/61/34/00/523613400.db2.gz GKPUIYYPGVOKFA-UHFFFAOYSA-N 0 3 494.444 5.242 50 0 JKAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3cc4ccccc4s3)CC2)c1 ZINC000012441199 523628480 /nfs/dbraw/zinc/62/84/80/523628480.db2.gz XITRGCNOOWTCSJ-UHFFFAOYSA-N 0 3 450.604 5.189 50 0 JKAAHN CCn1nc(C)c(CN2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)c1C ZINC000012452900 523640572 /nfs/dbraw/zinc/64/05/72/523640572.db2.gz CYWSLQHHGHPVEU-VWLOTQADSA-N 0 3 464.679 5.177 50 0 JKAAHN COc1ccc(CCN(C)C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC ZINC000016045087 523940206 /nfs/dbraw/zinc/94/02/06/523940206.db2.gz QKYNDHFESQJFAP-QHCPKHFHSA-N 0 3 457.655 5.332 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000036302067 523940252 /nfs/dbraw/zinc/94/02/52/523940252.db2.gz TXMMEXQAGLJBND-WNCULLNHSA-N 0 3 499.655 6.186 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000036302079 523940569 /nfs/dbraw/zinc/94/05/69/523940569.db2.gz NSKUQSCGBBGNDV-URXFXBBRSA-N 0 3 495.664 5.758 50 0 JKAAHN CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000014981755 523951183 /nfs/dbraw/zinc/95/11/83/523951183.db2.gz VWYLTOZSAWDXEY-XMMPIXPASA-N 0 3 495.019 5.300 50 0 JKAAHN CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CCN(Cc2cccc3cccnc32)CC1 ZINC000014879966 523951360 /nfs/dbraw/zinc/95/13/60/523951360.db2.gz GKMMFMSAUYZTTF-SANMLTNESA-N 0 3 469.654 5.892 50 0 JKAAHN CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CCN(Cc2cccc(F)c2)CC1 ZINC000012279087 523951644 /nfs/dbraw/zinc/95/16/44/523951644.db2.gz NLIOVASRZRTENI-DEOSSOPVSA-N 0 3 454.973 5.668 50 0 JKAAHN CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1F)C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000014965080 523951889 /nfs/dbraw/zinc/95/18/89/523951889.db2.gz DBGMFLFAVWZPFH-QHCPKHFHSA-N 0 3 480.605 5.211 50 0 JKAAHN COc1ccc(CN2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccoc3C)CC2)cc1 ZINC000014992367 524024207 /nfs/dbraw/zinc/02/42/07/524024207.db2.gz PSOVUJJZPBZYHX-HHHXNRCGSA-N 0 3 464.581 5.331 50 0 JKAAHN COc1ccc(CN2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)cc1OC ZINC000012332537 524024724 /nfs/dbraw/zinc/02/47/24/524024724.db2.gz UDNLJXSXPGOMGE-XMMPIXPASA-N 0 3 496.648 5.500 50 0 JKAAHN COc1ccccc1/C=C/CN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000011768974 524317521 /nfs/dbraw/zinc/31/75/21/524317521.db2.gz URVUMHBOHMHUNN-SOFGYWHQSA-N 0 3 450.970 5.148 50 0 JKAAHN Cc1cccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3C)CC2)c1 ZINC000046055796 524411999 /nfs/dbraw/zinc/41/19/99/524411999.db2.gz ZSFFCDBIYIPARU-UHFFFAOYSA-N 0 3 465.641 5.835 50 0 JKAAHN Cc1cccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(Cl)c3)CC2)c1 ZINC000046055620 524412211 /nfs/dbraw/zinc/41/22/11/524412211.db2.gz RVHHBJXZUKFUCB-UHFFFAOYSA-N 0 3 486.059 6.180 50 0 JKAAHN Cc1ccc(CN2CCC(O)(c3ccc4oc(C(=O)N(C)CCc5ccccn5)cc4c3)CC2)c(C)c1 ZINC000014981038 524439345 /nfs/dbraw/zinc/43/93/45/524439345.db2.gz WYLHOTWECYDJRH-UHFFFAOYSA-N 0 3 497.639 5.243 50 0 JKAAHN Cc1ccc(CN2CCC([C@@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)cc1 ZINC000014878738 524440784 /nfs/dbraw/zinc/44/07/84/524440784.db2.gz SIPVJJDZDRRDPV-RUZDIDTESA-N 0 3 452.545 5.462 50 0 JKAAHN COc1ccccc1CN1CCC(c2nnc(SCc3ccc(F)cc3)n2C[C@H]2CCCO2)CC1 ZINC000014959538 524449323 /nfs/dbraw/zinc/44/93/23/524449323.db2.gz REQFJVOBMCHQPH-XMMPIXPASA-N 0 3 496.652 5.277 50 0 JKAAHN Cc1cccc(Cn2c(CN3CCC(C(=O)NCc4cccs4)CC3)cc3ccccc32)c1 ZINC000046055897 524491700 /nfs/dbraw/zinc/49/17/00/524491700.db2.gz BGFXGJRZFZLPIA-UHFFFAOYSA-N 0 3 457.643 5.588 50 0 JKAAHN C[C@@H](CNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000046055960 524644694 /nfs/dbraw/zinc/64/46/94/524644694.db2.gz ZOWCHPCNUWGJIA-QHCPKHFHSA-N 0 3 483.631 5.961 50 0 JKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccc(F)cc4)CC3)cc3ccccc32)cc1 ZINC000045994234 524766344 /nfs/dbraw/zinc/76/63/44/524766344.db2.gz PVSVPUPIKSNCBG-UHFFFAOYSA-N 0 3 469.604 5.666 50 0 JKAAHN Cc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000035504237 524773653 /nfs/dbraw/zinc/77/36/53/524773653.db2.gz MFAJRFPNAGTNTM-MUUNZHRXSA-N 0 3 483.631 5.871 50 0 JKAAHN Cc1cccc(Oc2c(CN(C[C@H](O)COC(C)(C)C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306592 524784799 /nfs/dbraw/zinc/78/47/99/524784799.db2.gz MJQVEKTYVMKXDX-DEOSSOPVSA-N 0 3 477.649 5.576 50 0 JKAAHN C[C@H](NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000046055942 524912793 /nfs/dbraw/zinc/91/27/93/524912793.db2.gz STHOXZPFXKVMDO-QFIPXVFZSA-N 0 3 469.604 5.918 50 0 JKAAHN COc1ccc(Oc2c(CN(C[C@@H](O)COC(C)(C)C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306121 524989994 /nfs/dbraw/zinc/98/99/94/524989994.db2.gz VRLDTLHZHNLWME-JOCHJYFZSA-N 0 3 481.637 5.274 50 0 JKAAHN Cc1ccc(NC(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c(Cl)c1 ZINC000046056028 525027434 /nfs/dbraw/zinc/02/74/34/525027434.db2.gz ZDKGTNDFOHGMBG-UHFFFAOYSA-N 0 3 490.022 6.641 50 0 JKAAHN Cc1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000020480012 525078453 /nfs/dbraw/zinc/07/84/53/525078453.db2.gz JKDNVHLPRFNSDC-UHFFFAOYSA-N 0 3 459.597 5.616 50 0 JKAAHN Cc1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000020503724 525078724 /nfs/dbraw/zinc/07/87/24/525078724.db2.gz KDXCJYIZRNHFQH-UHFFFAOYSA-N 0 3 494.042 6.270 50 0 JKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)NCCc3ccco3)CC2)cc2ccccc21 ZINC000046055846 525209168 /nfs/dbraw/zinc/20/91/68/525209168.db2.gz SBWFLLNHEDAOSC-UHFFFAOYSA-N 0 3 455.602 5.162 50 0 JKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)cc2ccccc21 ZINC000046055806 525209571 /nfs/dbraw/zinc/20/95/71/525209571.db2.gz FDMZKHLOAIDPGW-WJOKGBTCSA-N 0 3 491.679 6.404 50 0 JKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(CSc2nnc(-c3ccccc3)o2)c1 ZINC000020375449 525486558 /nfs/dbraw/zinc/48/65/58/525486558.db2.gz XBBYHSNKDURWIU-VWLOTQADSA-N 0 3 498.608 5.763 50 0 biogenic JKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000012371479 525486774 /nfs/dbraw/zinc/48/67/74/525486774.db2.gz ACFGEGUNKPSTBY-RUZDIDTESA-N 0 3 483.395 6.306 50 0 JKAAHN COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000014982399 525748247 /nfs/dbraw/zinc/74/82/47/525748247.db2.gz ZOEVAJITSFTOHX-DEOSSOPVSA-N 0 3 482.625 5.066 50 0 JKAAHN COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000014982401 525749337 /nfs/dbraw/zinc/74/93/37/525749337.db2.gz ZOEVAJITSFTOHX-XMMPIXPASA-N 0 3 482.625 5.066 50 0 JKAAHN COc1cccc(CN2CCC(c3nnc(SCc4ccc(F)cc4)n3C[C@H]3CCCO3)CC2)c1 ZINC000014879877 525936485 /nfs/dbraw/zinc/93/64/85/525936485.db2.gz ICICSMCXBVNPGM-RUZDIDTESA-N 0 3 496.652 5.277 50 0 JKAAHN COc1cccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)c1 ZINC000046056048 525963407 /nfs/dbraw/zinc/96/34/07/525963407.db2.gz CLXFLJYOUKHTCD-UHFFFAOYSA-N 0 3 485.603 5.366 50 0 JKAAHN CSc1ccc(CNC(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000046055471 525994334 /nfs/dbraw/zinc/99/43/34/525994334.db2.gz BWDOTWSFRKANOB-UHFFFAOYSA-N 0 3 483.681 5.940 50 0 JKAAHN COc1cccc(CNC2CCN(c3ccc(NC(=O)c4ccc(C)cc4C)cc3)CC2)c1OC ZINC000014975072 526012214 /nfs/dbraw/zinc/01/22/14/526012214.db2.gz QYZPDZIKZPIIBG-UHFFFAOYSA-N 0 3 473.617 5.332 50 0 JKAAHN COc1cccc(C[C@@H](C2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)N(C)C(=O)c2ccco2)c1 ZINC000012338109 526072795 /nfs/dbraw/zinc/07/27/95/526072795.db2.gz UERXBCJOJBOZGC-MHZLTWQESA-N 0 3 498.627 5.274 50 0 JKAAHN CSc1ccc2cc(CN(CCN(C)C)C(=O)c3csc(C)n3)c(-c3cccs3)nc2c1 ZINC000014882687 526082638 /nfs/dbraw/zinc/08/26/38/526082638.db2.gz NQJMCNSDBQMFRH-UHFFFAOYSA-N 0 3 482.700 5.654 50 0 JKAAHN Cc1cnc(SCc2ccccn2)nc1[C@H]1CCCN(C[C@@H](C)Cc2ccc3c(c2)OCO3)C1 ZINC000039394593 526103903 /nfs/dbraw/zinc/10/39/03/526103903.db2.gz JZLXKIVUIFRQGM-UGKGYDQZSA-N 0 3 476.646 5.259 50 0 JKAAHN Cc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)N4CCN(C5CCCCC5)CC4)c3)C2)cc1 ZINC000033034933 526104030 /nfs/dbraw/zinc/10/40/30/526104030.db2.gz SJJNILAQDNMYDI-MHZLTWQESA-N 0 3 473.661 5.105 50 0 JKAAHN COc1cccc(Oc2c(CN(C[C@H](O)COCC(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305433 526241018 /nfs/dbraw/zinc/24/10/18/526241018.db2.gz OWFZEDLUGJSNSI-QHCPKHFHSA-N 0 3 481.637 5.132 50 0 JKAAHN COc1cccc(Oc2c(CN(C[C@@H](O)COC(C)(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305455 526241268 /nfs/dbraw/zinc/24/12/68/526241268.db2.gz PASUJWBQTKVVOT-JOCHJYFZSA-N 0 3 481.637 5.274 50 0 JKAAHN COc1cccc(Oc2c(CN(C[C@H](O)Cc3ccccc3)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305482 526241383 /nfs/dbraw/zinc/24/13/83/526241383.db2.gz FJGFNAHWQIFXTC-RUZDIDTESA-N 0 3 483.612 5.456 50 0 JKAAHN COc1cccc(Oc2c(CN(CC(C)C)C[C@@H](O)COCC(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305280 526241721 /nfs/dbraw/zinc/24/17/21/526241721.db2.gz MKURSARHIJJIKW-XMMPIXPASA-N 0 3 495.664 5.380 50 0 JKAAHN COc1cccc(Oc2c(CN(CC(C)C)C[C@@H](O)Cc3ccccc3)c(-c3ccccc3)nn2C)c1 ZINC000036305275 526241926 /nfs/dbraw/zinc/24/19/26/526241926.db2.gz AMUDZKWWLLAAPA-SANMLTNESA-N 0 3 499.655 5.950 50 0 JKAAHN O=C(NCCCc1ccccc1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055440 526276816 /nfs/dbraw/zinc/27/68/16/526276816.db2.gz DHYHIFBGTAWNOR-UHFFFAOYSA-N 0 3 465.641 5.651 50 0 JKAAHN O[C@H](CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016477419 526277443 /nfs/dbraw/zinc/27/74/43/526277443.db2.gz GGGWVJVSAHGFPC-OAQYLSRUSA-N 0 3 481.217 6.158 50 0 JKAAHN O=C(C1CC1)N(CCN1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1 ZINC000036124418 526282962 /nfs/dbraw/zinc/28/29/62/526282962.db2.gz BENLDOLCDULNRH-UHFFFAOYSA-N 0 3 468.450 5.253 50 0 JKAAHN O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000040451178 526301459 /nfs/dbraw/zinc/30/14/59/526301459.db2.gz ZQGFRAMGLJTSGV-UHFFFAOYSA-N 0 3 453.586 5.103 50 0 JKAAHN Cc1nn2c(nc(C)cc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1 ZINC000020502823 526311046 /nfs/dbraw/zinc/31/10/46/526311046.db2.gz MLGWOMRLPFVZIX-UHFFFAOYSA-N 0 3 473.624 5.925 50 0 JKAAHN Fc1ccc(CSc2nnc(C3CCN(Cc4ccccc4)CC3)n2C[C@H]2CCCO2)cc1 ZINC000014965889 526344743 /nfs/dbraw/zinc/34/47/43/526344743.db2.gz YLSINMNLUQMAKK-XMMPIXPASA-N 0 3 466.626 5.268 50 0 JKAAHN c1cc(CN2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)cs1 ZINC000014955048 526422622 /nfs/dbraw/zinc/42/26/22/526422622.db2.gz WJOTZGNXLWQSJO-QFIPXVFZSA-N 0 3 454.665 5.039 50 0 JKAAHN O=C(NCCc1ccccc1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055719 526422639 /nfs/dbraw/zinc/42/26/39/526422639.db2.gz DIHOEGGTONUCQV-UHFFFAOYSA-N 0 3 486.059 5.914 50 0 JKAAHN O=C(NCCc1ccco1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055754 526439379 /nfs/dbraw/zinc/43/93/79/526439379.db2.gz PPMVSRVBZURCPU-UHFFFAOYSA-N 0 3 476.020 5.507 50 0 JKAAHN O=C(NCCc1ccco1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055668 526439417 /nfs/dbraw/zinc/43/94/17/526439417.db2.gz HAGVSAGFNYNZJB-UHFFFAOYSA-N 0 3 476.020 5.507 50 0 JKAAHN O=C(NCCc1cccs1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000046056070 526442285 /nfs/dbraw/zinc/44/22/85/526442285.db2.gz HLZXZVAVLYQHPE-UHFFFAOYSA-N 0 3 475.633 5.461 50 0 JKAAHN O=C(NCCc1cccs1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055666 526442364 /nfs/dbraw/zinc/44/23/64/526442364.db2.gz CHJDAMYXTVIXLK-UHFFFAOYSA-N 0 3 492.088 5.975 50 0 JKAAHN c1ccc(C(c2ccccc2)N2CCN(c3nc4ccccc4c4nc(-c5cccnc5)nn43)CC2)cc1 ZINC000020377126 526461058 /nfs/dbraw/zinc/46/10/58/526461058.db2.gz HYGIXKPOTQJUNG-UHFFFAOYSA-N 0 3 497.606 5.251 50 0 JKAAHN c1csc(CN2CCC(c3nnc(SCCc4ccccc4)n3C[C@@H]3CCCO3)CC2)c1 ZINC000012333594 526579497 /nfs/dbraw/zinc/57/94/97/526579497.db2.gz MCEAEAMCIUQVIW-QFIPXVFZSA-N 0 3 468.692 5.233 50 0 JKAAHN O=C(NCc1cccc(F)c1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000046055975 526717508 /nfs/dbraw/zinc/71/75/08/526717508.db2.gz KJGPNYIWDWFLBQ-UHFFFAOYSA-N 0 3 473.567 5.496 50 0 JKAAHN O=C(NCc1ccccc1F)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055752 526750157 /nfs/dbraw/zinc/75/01/57/526750157.db2.gz BEGCPTFMDZELHF-UHFFFAOYSA-N 0 3 490.022 6.011 50 0 JKAAHN O=C(NCc1cccnc1)c1cc2cc(C3(O)CCN(Cc4cc5ccccc5s4)CC3)ccc2o1 ZINC000012242653 526768602 /nfs/dbraw/zinc/76/86/02/526768602.db2.gz BERBSHXPXPNZOF-UHFFFAOYSA-N 0 3 497.620 5.456 50 0 JKAAHN Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000014963272 526802317 /nfs/dbraw/zinc/80/23/17/526802317.db2.gz MHTMESMJSGUOQP-AREMUKBSSA-N 0 3 452.545 5.462 50 0 JKAAHN Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000014982050 526803139 /nfs/dbraw/zinc/80/31/39/526803139.db2.gz PPJBVYKXYQVSJJ-RUZDIDTESA-N 0 3 478.564 5.051 50 0 JKAAHN O=C(COc1ccc(-c2cccs2)cc1CN1CCCC1)NCc1cc2ccccc2s1 ZINC000014969119 526945231 /nfs/dbraw/zinc/94/52/31/526945231.db2.gz GXHSABIBDDHQJC-UHFFFAOYSA-N 0 3 462.640 5.921 50 0 JKAAHN O=C1C[C@H](NCCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000022567511 527028714 /nfs/dbraw/zinc/02/87/14/527028714.db2.gz KHGSPQYULOXGFD-DEOSSOPVSA-N 0 3 459.933 5.078 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000013777201 527111429 /nfs/dbraw/zinc/11/14/29/527111429.db2.gz KRQCFZNUKDVABU-QHAWAJNXSA-N 0 3 473.743 5.698 50 0 JKAAHN O=C1c2ccccc2C(=O)N1CCCCN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000014703380 527130115 /nfs/dbraw/zinc/13/01/15/527130115.db2.gz LSPXHSFDACRJPR-UHFFFAOYSA-N 0 3 453.995 5.206 50 0 JKAAHN O=C(Nc1ccc(Cl)cc1)c1cc2cc(C3(O)CCN(Cc4cccs4)CC3)ccc2o1 ZINC000012455279 527182268 /nfs/dbraw/zinc/18/22/68/527182268.db2.gz MBRJVQTZBILLKV-UHFFFAOYSA-N 0 3 466.990 5.884 50 0 JKAAHN O=C(Nc1ccc(F)cc1F)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055593 527209072 /nfs/dbraw/zinc/20/90/72/527209072.db2.gz UWKQWGBLQPAWCW-UHFFFAOYSA-N 0 3 493.985 6.472 50 0 JKAAHN O=S(=O)(N[C@@H]1CCCC[C@H]1N(Cc1ccco1)C1CCCCC1)c1ccc(Cl)cc1 ZINC000020441820 527236851 /nfs/dbraw/zinc/23/68/51/527236851.db2.gz ZTYVUZQQMXWRKW-DHIUTWEWSA-N 0 3 451.032 5.357 50 0 JKAAHN O=c1c2c3c(sc2ncn1CCCc1ccccc1)C[C@H](NCc1nc2ccccc2s1)CC3 ZINC000014878717 527460228 /nfs/dbraw/zinc/46/02/28/527460228.db2.gz DYKDSBLLBRTXIM-LJQANCHMSA-N 0 3 486.666 5.348 50 0 JKAAHN O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)CN(Cc2ccccc2)C1 ZINC000014743983 527507790 /nfs/dbraw/zinc/50/77/90/527507790.db2.gz GYOWVUZXXNBLQQ-LEWJYISDSA-N 0 3 460.540 5.281 50 0 JKAAHN O=C(NC1CCCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055589 527517855 /nfs/dbraw/zinc/51/78/55/527517855.db2.gz ZAXDCXZEGQXKCJ-UHFFFAOYSA-N 0 3 478.080 6.394 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1 ZINC000033257009 527530924 /nfs/dbraw/zinc/53/09/24/527530924.db2.gz FTBHIDBVAFIZMP-UHFFFAOYSA-N 0 3 481.575 5.421 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Nc2ccc(-c3cccc(F)c3)nn2)c1 ZINC000033257996 527531721 /nfs/dbraw/zinc/53/17/21/527531721.db2.gz ZOSPISBNKGMNCE-UHFFFAOYSA-N 0 3 481.575 5.421 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COC(C)(C)C)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307335 527536714 /nfs/dbraw/zinc/53/67/14/527536714.db2.gz QNMXQORYVFIWJA-HSZRJFAPSA-N 0 3 481.612 5.407 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COC(C)(C)C)CC2CC2)c1Oc1ccccc1F ZINC000036306885 527536916 /nfs/dbraw/zinc/53/69/16/527536916.db2.gz DDFMTUFLENFMDY-JOCHJYFZSA-N 0 3 481.612 5.407 50 0 JKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)Cc2ccccc2)C2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305128 527538648 /nfs/dbraw/zinc/53/86/48/527538648.db2.gz IOBHMSHZMWQYCM-VWLOTQADSA-N 0 3 488.031 6.101 50 0 JKAAHN O=C(NCCC1=CCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055729 527622341 /nfs/dbraw/zinc/62/23/41/527622341.db2.gz WYBJXCQCENIQSK-UHFFFAOYSA-N 0 3 490.091 6.562 50 0 JKAAHN O=C(NCCCN(CCc1ccccc1)Cc1ccco1)c1sc2ncccc2c1-n1cccc1 ZINC000033059886 527658091 /nfs/dbraw/zinc/65/80/91/527658091.db2.gz KEDSBBFRQDPRJB-UHFFFAOYSA-N 0 3 484.625 5.545 50 0 JKAAHN COc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)CN(Cc2ccccc2Cl)C1 ZINC000096247532 537038051 /nfs/dbraw/zinc/03/80/51/537038051.db2.gz OSKHREIGMMQWBW-RPBOFIJWSA-N 0 3 495.038 5.761 50 0 JKAAHN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1)NCCN1CCCCC1 ZINC000000695353 553759933 /nfs/dbraw/zinc/75/99/33/553759933.db2.gz WJGDRKVFAYHXMM-NDEPHWFRSA-N 0 3 483.631 5.953 50 0 JKAAHN Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)CNCc3ccccc3)c2c(C)c1 ZINC000002083394 554028837 /nfs/dbraw/zinc/02/88/37/554028837.db2.gz KCUNRRRNZPJVQM-NDEPHWFRSA-N 0 3 460.621 6.743 50 0 JKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1COc1ccc(Br)cc1 ZINC000002087459 554032879 /nfs/dbraw/zinc/03/28/79/554032879.db2.gz ZNCJKDGFKMHECW-XMMPIXPASA-N 0 3 463.375 5.753 50 0 biogenic JKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(COc2ccc(Br)cc2)c1 ZINC000002112708 554051214 /nfs/dbraw/zinc/05/12/14/554051214.db2.gz JERGSIUBSIEOAR-UHFFFAOYSA-N 0 3 479.418 6.266 50 0 JKAAHN CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000002205057 554092634 /nfs/dbraw/zinc/09/26/34/554092634.db2.gz HWKYUNAZKOXBDZ-JOCHJYFZSA-N 0 3 472.497 5.690 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000002209431 554094431 /nfs/dbraw/zinc/09/44/31/554094431.db2.gz AFWXVGVLMNSEKH-UBFVSLLYSA-N 0 3 488.465 5.910 50 0 JKAAHN Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccc3F)nc2c(C)c1 ZINC000002212229 554096028 /nfs/dbraw/zinc/09/60/28/554096028.db2.gz RIKMXFVIICEEGD-QFIPXVFZSA-N 0 3 456.498 5.908 50 0 JKAAHN Cc1nn2c(nc(C)c(Cc3ccccc3)c2N2CCN(C3CCCC3)CC2)c1-c1ccccc1 ZINC000002238840 554108728 /nfs/dbraw/zinc/10/87/28/554108728.db2.gz FGKVBQLOWLCDCB-UHFFFAOYSA-N 0 3 465.645 5.669 50 0 JKAAHN O[C@H](CNCc1ccccc1)Cn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1 ZINC000002299924 554138898 /nfs/dbraw/zinc/13/88/98/554138898.db2.gz XAVUNDRLMSCTFC-GDLZYMKVSA-N 0 3 482.627 7.279 50 0 JKAAHN CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccs3)sc2c1 ZINC000002360796 554165618 /nfs/dbraw/zinc/16/56/18/554165618.db2.gz TZKJMZZHNQBYBE-OAQYLSRUSA-N 0 3 458.564 6.337 50 0 JKAAHN O[C@H](COc1c(Cl)cccc1Cl)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000002624230 554248187 /nfs/dbraw/zinc/24/81/87/554248187.db2.gz USAYHOLINZCYHF-QHCPKHFHSA-N 0 3 486.439 5.381 50 0 JKAAHN COc1ccc([C@@H]2NC[C@H](c3ccccc3)c3c4ccccc4[nH]c32)cc1OCc1ccccc1 ZINC000002624967 554248730 /nfs/dbraw/zinc/24/87/30/554248730.db2.gz KWRPUAOQVCRDMV-RNAHPLFWSA-N 0 3 460.577 6.580 50 0 JKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000002782901 554342713 /nfs/dbraw/zinc/34/27/13/554342713.db2.gz VSFBUUUJOCYWJK-UHFFFAOYSA-N 0 3 493.818 7.057 50 0 JKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1CSc1nc2ccccc2s1 ZINC000002817963 554363243 /nfs/dbraw/zinc/36/32/43/554363243.db2.gz JVPASSGUXNKSTF-DEOSSOPVSA-N 0 3 457.624 6.314 50 0 biogenic JKAAHN CCN(CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000002890378 554409099 /nfs/dbraw/zinc/40/90/99/554409099.db2.gz HUMYQGFWOOGUJS-FQEVSTJZSA-N 0 3 489.797 5.096 50 0 JKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000003217929 554432251 /nfs/dbraw/zinc/43/22/51/554432251.db2.gz DXFAJLTYSHJCGR-UHFFFAOYSA-N 0 3 481.596 5.961 50 0 JKAAHN O=C(c1sc2cc(Cl)ccc2c1Cl)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000003281329 554442051 /nfs/dbraw/zinc/44/20/51/554442051.db2.gz QYJRIQORRZLRBG-UHFFFAOYSA-N 0 3 495.475 7.520 50 0 JKAAHN COc1cc(CN(C)C[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OC(F)F ZINC000003365972 554459157 /nfs/dbraw/zinc/45/91/57/554459157.db2.gz FHPMXPBEPCULGG-HSZRJFAPSA-N 0 3 485.571 5.494 50 0 JKAAHN NC(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000004552074 554478676 /nfs/dbraw/zinc/47/86/76/554478676.db2.gz ALRBIXSPEBFRJH-UHFFFAOYSA-N 0 3 487.646 8.938 50 0 JKAAHN CCN(CC)C[C@H](CC[C@@H](CN(CC)CC)C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1 ZINC000008387044 554570005 /nfs/dbraw/zinc/57/00/05/554570005.db2.gz XGDPBXQPYHDREZ-UIOOFZCWSA-N 0 3 496.692 5.466 50 0 JKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1CSc1nc2ccccc2s1 ZINC000008432241 554585251 /nfs/dbraw/zinc/58/52/51/554585251.db2.gz JVPASSGUXNKSTF-XMMPIXPASA-N 0 3 457.624 6.314 50 0 biogenic JKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1COc1ccc(Cl)cc1Cl ZINC000008432242 554585346 /nfs/dbraw/zinc/58/53/46/554585346.db2.gz WEPZEJUWJSBNOL-XMMPIXPASA-N 0 3 453.369 6.297 50 0 JKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1COc1ccc(Cl)cc1Cl ZINC000008432243 554585691 /nfs/dbraw/zinc/58/56/91/554585691.db2.gz WEPZEJUWJSBNOL-DEOSSOPVSA-N 0 3 453.369 6.297 50 0 JKAAHN COc1ccc(Nc2cc(C(=O)NCCCN(C)Cc3ccccc3)c3ccccc3n2)cc1OC ZINC000008583448 554601284 /nfs/dbraw/zinc/60/12/84/554601284.db2.gz POXZVNNFOAVHQN-UHFFFAOYSA-N 0 3 484.600 5.248 50 0 JKAAHN CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CC(C)(C)OC4)c(NCCN(C)C)n1 ZINC000008739126 554640903 /nfs/dbraw/zinc/64/09/03/554640903.db2.gz INVCYRITQQTHGN-UHFFFAOYSA-N 0 3 479.675 5.453 50 0 JKAAHN CC1=Nc2cc(C(=O)NCCN(C)Cc3ccccc3)ccc2Sc2ccc(Cl)cc21 ZINC000008813228 554695322 /nfs/dbraw/zinc/69/53/22/554695322.db2.gz AIVWUXMQXXGXJM-UHFFFAOYSA-N 0 3 450.007 5.807 50 0 JKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(C)cc3)=NN12 ZINC000008817424 554700127 /nfs/dbraw/zinc/70/01/27/554700127.db2.gz OUZXEMJJARTDEQ-QFIPXVFZSA-N 0 3 454.412 5.503 50 0 JKAAHN CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000008826730 554716518 /nfs/dbraw/zinc/71/65/18/554716518.db2.gz ZEZDQIYIZDLRBN-UHFFFAOYSA-N 0 3 486.612 5.191 50 0 JKAAHN Cc1ccc(NC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c(C)c1 ZINC000008911561 554800516 /nfs/dbraw/zinc/80/05/16/554800516.db2.gz JWEWUQZVYBBBMN-UHFFFAOYSA-N 0 3 453.590 5.131 50 0 JKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2C)cc1 ZINC000008911871 554801220 /nfs/dbraw/zinc/80/12/20/554801220.db2.gz CILFLTMCNNWMSU-RUZDIDTESA-N 0 3 499.684 5.294 50 0 JKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(C)cc2)cc1 ZINC000008911936 554801413 /nfs/dbraw/zinc/80/14/13/554801413.db2.gz NTEKXBYXGLDZIF-VWLOTQADSA-N 0 3 499.684 5.294 50 0 JKAAHN O=C(NCCN1CCCCCC1)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000008912025 554801641 /nfs/dbraw/zinc/80/16/41/554801641.db2.gz HBCOWBPWZWNVCQ-UHFFFAOYSA-N 0 3 499.684 5.378 50 0 JKAAHN C[C@H]1CCc2c(sc(NC(=O)CNCCc3ccccc3)c2C(=O)Nc2ccccc2F)C1 ZINC000008919164 554816004 /nfs/dbraw/zinc/81/60/04/554816004.db2.gz WRAFWWVLCNQHCZ-KRWDZBQOSA-N 0 3 465.594 5.035 50 0 JKAAHN CC1CCN(CCC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Br)cc2)CCC3)CC1 ZINC000008919201 554816011 /nfs/dbraw/zinc/81/60/11/554816011.db2.gz HKWRPMMTELWDFK-UHFFFAOYSA-N 0 3 490.467 5.312 50 0 JKAAHN COc1cc(CN2CCC(C(=O)N3CCc4ccccc4C3)CC2)ccc1OCc1ccccc1 ZINC000008952110 554835524 /nfs/dbraw/zinc/83/55/24/554835524.db2.gz TUCGRNFLTSWWRH-UHFFFAOYSA-N 0 3 470.613 5.071 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000008969191 554843214 /nfs/dbraw/zinc/84/32/14/554843214.db2.gz JHWYEMZUASUQBO-NJDAHSKKSA-N 0 3 457.288 5.184 50 0 JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N21 ZINC000009010127 554863813 /nfs/dbraw/zinc/86/38/13/554863813.db2.gz XSQCPFOFYOILOK-LSMVNSQTSA-N 0 3 480.539 5.086 50 0 JKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000009067107 554885815 /nfs/dbraw/zinc/88/58/15/554885815.db2.gz TVUYDYPAMRGARW-QHCPKHFHSA-N 0 3 462.391 5.568 50 0 JKAAHN Cc1ccc(CN(C(=O)Nc2ccccc2Br)C2CCN(Cc3ccccc3)CC2)o1 ZINC000009151165 554937368 /nfs/dbraw/zinc/93/73/68/554937368.db2.gz PDPAPWGIPABGKB-UHFFFAOYSA-N 0 3 482.422 6.049 50 0 JKAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccs5)nc4c32)cc1 ZINC000009158321 554948109 /nfs/dbraw/zinc/94/81/09/554948109.db2.gz CUBVUVFUJOZTTR-QFIPXVFZSA-N 0 3 492.564 5.641 50 0 JKAAHN N=C1SC(Cc2ccc(Br)cc2)C(=O)N1c1ncc(Cc2ccc(Cl)cc2)s1 ZINC000009165454 554951090 /nfs/dbraw/zinc/95/10/90/554951090.db2.gz BXKZLBWDTJECLH-QGZVFWFLSA-N 0 3 492.851 5.776 50 0 JKAAHN N=C1SC(Cc2ccc(Br)cc2)C(=O)N1c1ncc(Cc2ccc(Cl)cc2)s1 ZINC000009165449 554951103 /nfs/dbraw/zinc/95/11/03/554951103.db2.gz BXKZLBWDTJECLH-KRWDZBQOSA-N 0 3 492.851 5.776 50 0 JKAAHN CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000009172581 554954417 /nfs/dbraw/zinc/95/44/17/554954417.db2.gz HXTCTXSRLCLTQB-NRFANRHFSA-N 0 3 470.411 5.203 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(COc4ccccc4C)nn3cnc1O2 ZINC000009187141 554959599 /nfs/dbraw/zinc/95/95/99/554959599.db2.gz UBYIBFCRHLPRKE-XMMPIXPASA-N 0 3 490.523 5.385 50 0 JKAAHN COc1ccc(-c2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2)cc1 ZINC000009210347 554979791 /nfs/dbraw/zinc/97/97/91/554979791.db2.gz VVHBJQUTVPNXLH-DEOSSOPVSA-N 0 3 486.535 5.580 50 0 JKAAHN Cc1c(Cl)cccc1-n1ncc(C(=O)[N-]c2c(F)c(F)cc(F)c2F)c1C1CC[NH2+]CC1 ZINC000009227491 555000193 /nfs/dbraw/zinc/00/01/93/555000193.db2.gz SPUPIGIKGFWJEA-UHFFFAOYSA-N 0 3 466.866 5.110 50 0 JKAAHN Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc12 ZINC000009229115 555003232 /nfs/dbraw/zinc/00/32/32/555003232.db2.gz HSOZHMXYXIMQOQ-UHFFFAOYSA-N 0 3 486.059 6.354 50 0 JKAAHN Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCCN3CCc4ccccc4C3)cc12 ZINC000009229129 555003339 /nfs/dbraw/zinc/00/33/39/555003339.db2.gz SRNJFPDMKZWBAR-UHFFFAOYSA-N 0 3 486.059 6.138 50 0 JKAAHN CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009235361 555009560 /nfs/dbraw/zinc/00/95/60/555009560.db2.gz BWZIPEDVKIIEPJ-NRFANRHFSA-N 0 3 460.405 5.748 50 0 JKAAHN Cc1nn(-c2cccc(Cl)c2)c2c1C(c1ccccc1)c1c3nc(-c4ccccn4)nn3cnc1O2 ZINC000009237544 555012333 /nfs/dbraw/zinc/01/23/33/555012333.db2.gz GKULQQPOEAQOME-QFIPXVFZSA-N 0 3 491.942 5.620 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(C)cc1)c1c3nc(-c4ccco4)nn3cnc1O2 ZINC000009266043 555042409 /nfs/dbraw/zinc/04/24/09/555042409.db2.gz ABSFLGCFYNNMLR-QFIPXVFZSA-N 0 3 460.497 5.473 50 0 JKAAHN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)N3CCN(C4CCCCC4)CC3)c12 ZINC000009266329 555042632 /nfs/dbraw/zinc/04/26/32/555042632.db2.gz ZYMACWWFDFZVSE-UHFFFAOYSA-N 0 3 466.029 5.090 50 0 JKAAHN Cc1nn(-c2cccc(Cl)c2)c2c1C(c1ccccc1)c1c3nc(-c4ccncc4)nn3cnc1O2 ZINC000009266633 555042853 /nfs/dbraw/zinc/04/28/53/555042853.db2.gz RBFPMEPWBMDNII-JOCHJYFZSA-N 0 3 491.942 5.620 50 0 JKAAHN CC(C)(C)C(=O)[C@@H]1C(C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009273439 555045464 /nfs/dbraw/zinc/04/54/64/555045464.db2.gz FYVWOXLHBWEHRJ-SQRAXXTESA-N 0 3 494.566 5.414 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccccc4Cl)nn3cnc1O2 ZINC000009281197 555050305 /nfs/dbraw/zinc/05/03/05/555050305.db2.gz WELQGSPPHCAQPP-QHCPKHFHSA-N 0 3 490.954 6.225 50 0 JKAAHN COc1ccc2c(c1)[nH]c(C(=O)NCCCN1CCc3ccccc3C1)c2Sc1ccccc1 ZINC000009288392 555062134 /nfs/dbraw/zinc/06/21/34/555062134.db2.gz RXQRTWKODVKZJA-UHFFFAOYSA-N 0 3 471.626 5.506 50 0 JKAAHN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1cccnc1)[C@@]21c2ccccc2NC1=O ZINC000009309159 555083354 /nfs/dbraw/zinc/08/33/54/555083354.db2.gz SIIKHIDEESCFAH-SQRAXXTESA-N 0 3 491.591 5.060 50 0 JKAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000009334082 555101966 /nfs/dbraw/zinc/10/19/66/555101966.db2.gz YVHANBOJQHXEHR-NRFANRHFSA-N 0 3 460.405 5.746 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000009345453 555111686 /nfs/dbraw/zinc/11/16/86/555111686.db2.gz QFJKRRSVWVMFHB-NJDAHSKKSA-N 0 3 483.749 5.154 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000009374639 555135955 /nfs/dbraw/zinc/13/59/55/555135955.db2.gz MPCYRNRFSSRROT-QHAWAJNXSA-N 0 3 483.749 5.154 50 0 JKAAHN CCN1CCN(c2ccc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)cc2)CC1 ZINC000009379006 555140964 /nfs/dbraw/zinc/14/09/64/555140964.db2.gz WHOABVYMZLBNNT-UHFFFAOYSA-N 0 3 452.558 5.403 50 0 JKAAHN O=C(c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21)N1CCN(C2CCCCC2)CC1 ZINC000009406555 555167017 /nfs/dbraw/zinc/16/70/17/555167017.db2.gz ADBPJYXPLPZSFG-UHFFFAOYSA-N 0 3 462.594 5.446 50 0 JKAAHN O=C(NCCCN1CCc2ccccc2C1)c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000009406590 555167113 /nfs/dbraw/zinc/16/71/13/555167113.db2.gz YALHOXCNWFEWMO-UHFFFAOYSA-N 0 3 484.600 5.533 50 0 JKAAHN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)CNCc3ccc(Cl)cc3)cc21 ZINC000009409353 555174076 /nfs/dbraw/zinc/17/40/76/555174076.db2.gz RVFUPXKGQCCPLY-DEOSSOPVSA-N 0 3 477.004 5.633 50 0 JKAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN(C)Cc2ccccc2)[C@@H]1c1cccs1 ZINC000009433046 555202887 /nfs/dbraw/zinc/20/28/87/555202887.db2.gz NKHANABDLBUCCV-SXOMAYOGSA-N 0 3 489.685 5.323 50 0 JKAAHN COc1cc(CN2CCC(C(=O)NC3CCCCCC3)CC2)ccc1OCc1ccccc1 ZINC000009434726 555205739 /nfs/dbraw/zinc/20/57/39/555205739.db2.gz IGWHALLWXOXCAU-UHFFFAOYSA-N 0 3 450.623 5.325 50 0 JKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(N(C)C)cc1)c1c3nc(-c4ccco4)nn3cnc1O2 ZINC000009449708 555222590 /nfs/dbraw/zinc/22/25/90/555222590.db2.gz SWEUPWRHCRDQGW-HSZRJFAPSA-N 0 3 489.539 5.230 50 0 JKAAHN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(-c4ccco4)nc3c21 ZINC000009451691 555224121 /nfs/dbraw/zinc/22/41/21/555224121.db2.gz XGVOZDDYFQGMNR-JOCHJYFZSA-N 0 3 476.496 5.173 50 0 JKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3F)=NN12 ZINC000009462125 555230854 /nfs/dbraw/zinc/23/08/54/555230854.db2.gz ZGEZDAASSYUPML-NRFANRHFSA-N 0 3 458.375 5.332 50 0 JKAAHN CCN1CCN(c2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3OC)cc2)CC1 ZINC000009469554 555252068 /nfs/dbraw/zinc/25/20/68/555252068.db2.gz LSQACHGMHUFSIB-UHFFFAOYSA-N 0 3 495.627 5.001 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009470135 555253546 /nfs/dbraw/zinc/25/35/46/555253546.db2.gz MQPPHYGHLMXTPS-DNVJHFABSA-N 0 3 490.346 5.593 50 0 JKAAHN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)N2CCC(Cc3ccccc3)CC2)c1C ZINC000009494710 555279134 /nfs/dbraw/zinc/27/91/34/555279134.db2.gz APAKGBCDWFIINW-SSEXGKCCSA-N 0 3 494.704 7.661 50 0 JKAAHN C[C@H](CNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21)N1CCC(C)CC1 ZINC000009546371 555341684 /nfs/dbraw/zinc/34/16/84/555341684.db2.gz QKMNWHRJRSEWLU-GOSISDBHSA-N 0 3 454.039 5.890 50 0 JKAAHN CCCOc1ccc([C@H]2NC[C@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000013145653 555343205 /nfs/dbraw/zinc/34/32/05/555343205.db2.gz QVDFNNCSZWTCHY-JIPXPUAJSA-N 0 3 472.585 5.807 50 0 JKAAHN CCOC(=O)c1c(NC(=O)Cc2cccc3ccccc32)sc2c1CC(C)(C)NC2(C)C ZINC000009639882 555349327 /nfs/dbraw/zinc/34/93/27/555349327.db2.gz NNZZQNOBYQPSTC-UHFFFAOYSA-N 0 3 450.604 5.419 50 0 JKAAHN CCc1ccc(OCc2ccc(C(=O)Nc3nc4ccccc4n3CCN3CCCCC3)o2)cc1 ZINC000009557285 555351591 /nfs/dbraw/zinc/35/15/91/555351591.db2.gz ZHYVRKINTZHFGP-UHFFFAOYSA-N 0 3 472.589 5.509 50 0 JKAAHN Fc1ccc([C@@H](NCC2CCN(Cc3ccc(Cl)cc3)CC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000009645513 555358284 /nfs/dbraw/zinc/35/82/84/555358284.db2.gz ATEFTIKCLNZSBH-AREMUKBSSA-N 0 3 491.010 6.120 50 0 JKAAHN Cc1ccc(-c2cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c3ccccc3n2)cc1 ZINC000013321657 555376005 /nfs/dbraw/zinc/37/60/05/555376005.db2.gz IBACQKZDWLYZGO-UHFFFAOYSA-N 0 3 465.641 5.937 50 0 JKAAHN 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555864854 /nfs/dbraw/zinc/86/48/54/555864854.db2.gz NAUWTFJOPJWYOT-UHFFFAOYSA-N 0 3 450.573 5.321 50 0 investigational JKAAHN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2cccc(SC)c2)CC1 ZINC000015063126 555866702 /nfs/dbraw/zinc/86/67/02/555866702.db2.gz JKPAOQARXLRNOD-UHFFFAOYSA-N 0 3 451.596 5.095 50 0 JKAAHN O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCC(Cc2ccccc2)CC1 ZINC000022107311 555874354 /nfs/dbraw/zinc/87/43/54/555874354.db2.gz ICIBSNAOQXRBGZ-MKRRAVBBSA-N 0 3 459.674 5.849 50 0 JKAAHN CN(Cc1ccc(OC[C@H]2CCCN(C(=O)c3ccco3)C2)cc1)Cc1cccc2ccccc21 ZINC000011999373 555882079 /nfs/dbraw/zinc/88/20/79/555882079.db2.gz XMSBBYJAUMXDQB-DEOSSOPVSA-N 0 3 468.597 5.996 50 0 JKAAHN COc1ccccc1CN1CCC2(CC[C@H](CNC(=O)c3ccc4c(c3)c3ccccc3n4C)O2)CC1 ZINC000012027150 555885995 /nfs/dbraw/zinc/88/59/95/555885995.db2.gz KQOZZSDQHRYYKA-XMMPIXPASA-N 0 3 497.639 5.284 50 0 JKAAHN COc1ccccc1CN1CCC2(CC[C@@H](CNC(=O)c3ccc4c(c3)c3ccccc3n4C)O2)CC1 ZINC000012027144 555886000 /nfs/dbraw/zinc/88/60/00/555886000.db2.gz 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CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N21 ZINC000016001437 556106488 /nfs/dbraw/zinc/10/64/88/556106488.db2.gz BHILAFPBTYDLPB-LSMVNSQTSA-N 0 3 496.994 5.601 50 0 JKAAHN C[C@H](OC[C@H](O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000016043659 556123424 /nfs/dbraw/zinc/12/34/24/556123424.db2.gz ICEYOUKMGLFQNF-RBISFHTESA-N 0 3 480.048 5.427 50 0 JKAAHN COc1ccc(NC(=O)c2ccc(NC(=O)CN[C@@H](C)c3cccc4ccccc43)cc2)cc1 ZINC000012920901 556139376 /nfs/dbraw/zinc/13/93/76/556139376.db2.gz FRIMNRYVUCTVRA-IBGZPJMESA-N 0 3 453.542 5.390 50 0 JKAAHN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc12 ZINC000025355048 556210208 /nfs/dbraw/zinc/21/02/08/556210208.db2.gz FZNJDGFOOZEGGZ-UHFFFAOYSA-N 0 3 465.022 5.443 50 0 JKAAHN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](NCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000025393172 556212763 /nfs/dbraw/zinc/21/27/63/556212763.db2.gz URTMAINKZICZPE-QSHMCURRSA-N 0 3 476.970 6.845 50 0 JKAAHN CCCN1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000025578290 556224381 /nfs/dbraw/zinc/22/43/81/556224381.db2.gz JXSZPRFMCVMKJY-OAQYLSRUSA-N 0 3 464.824 6.392 50 0 JKAAHN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2C(Oc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000017197537 556238828 /nfs/dbraw/zinc/23/88/28/556238828.db2.gz GVRHUEMPEFJHOH-SXOMAYOGSA-N 0 3 484.577 5.011 50 0 JKAAHN Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2C(Oc3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000017197533 556238980 /nfs/dbraw/zinc/23/89/80/556238980.db2.gz GVRHUEMPEFJHOH-KAYWLYCHSA-N 0 3 484.577 5.011 50 0 JKAAHN COc1cccc([C@@H](CNc2ncnc3scc(-c4ccc(Cl)cc4)c32)N2CCCC2)c1 ZINC000013068909 556265342 /nfs/dbraw/zinc/26/53/42/556265342.db2.gz KVOFIHWTDDYJAH-JOCHJYFZSA-N 0 3 465.022 6.269 50 0 JKAAHN COc1ccc([C@H](CNc2nc(CN3CCC(C)CC3)nc3sc4c(c32)CCC4)N(C)C)cc1 ZINC000013068839 556265370 /nfs/dbraw/zinc/26/53/70/556265370.db2.gz CUDHGURZSCBGIB-QFIPXVFZSA-N 0 3 479.694 5.135 50 0 JKAAHN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000017838263 556268472 /nfs/dbraw/zinc/26/84/72/556268472.db2.gz XQOMMHZCPXMMNP-ZLNRFVROSA-N 0 3 499.350 5.062 50 0 JKAAHN Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)NCCN(C)C)cc1 ZINC000027026002 556272608 /nfs/dbraw/zinc/27/26/08/556272608.db2.gz TYERKMJPCYJFAU-PXLXIMEGSA-N 0 3 486.399 5.011 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc(F)c1 ZINC000018059145 556281072 /nfs/dbraw/zinc/28/10/72/556281072.db2.gz BTMFSNWJQHGSAJ-QHAWAJNXSA-N 0 3 457.288 5.184 50 0 JKAAHN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)C3ON2c2ccccc2)c1 ZINC000018080779 556284887 /nfs/dbraw/zinc/28/48/87/556284887.db2.gz IBYZXIMWJRVOOK-XPNTWCBSSA-N 0 3 499.350 5.062 50 0 JKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000018113323 556288844 /nfs/dbraw/zinc/28/88/44/556288844.db2.gz SCDMWIVARPGQQM-VSKRKVRLSA-N 0 3 497.776 5.462 50 0 JKAAHN CC1CCN([C@H](CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c2cccs2)CC1 ZINC000027575193 556299486 /nfs/dbraw/zinc/29/94/86/556299486.db2.gz OBLHZBLAIZOPJD-LJQANCHMSA-N 0 3 459.562 5.203 50 0 JKAAHN CCc1nn2c(nc(C)cc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1 ZINC000027586251 556300498 /nfs/dbraw/zinc/30/04/98/556300498.db2.gz VNSIUPGMSVBDDV-UHFFFAOYSA-N 0 3 487.651 6.179 50 0 JKAAHN Cc1c2ccc(Br)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000027662452 556302055 /nfs/dbraw/zinc/30/20/55/556302055.db2.gz ZXRKMMAAUJHUTM-JOCHJYFZSA-N 0 3 469.423 6.159 50 0 JKAAHN CCc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3cc(Cl)ccc3n2)cc1 ZINC000018198569 556305618 /nfs/dbraw/zinc/30/56/18/556305618.db2.gz FPNPMXLZFZELBX-UHFFFAOYSA-N 0 3 484.043 6.512 50 0 JKAAHN CC(C)c1ccc(Nc2nnc(SCC(=O)NC3CCN(Cc4ccccc4)CC3)s2)cc1 ZINC000018275104 556318321 /nfs/dbraw/zinc/31/83/21/556318321.db2.gz BWMIZIPNHFQQCZ-UHFFFAOYSA-N 0 3 481.691 5.278 50 0 JKAAHN Cc1c2ccc(Br)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028290339 556328283 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478.710 5.884 50 0 JKAAHN COc1cccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC(C)(C)C)c1 ZINC000064746120 569625323 /nfs/dbraw/zinc/62/53/23/569625323.db2.gz GGNJKWYQXSUBNQ-UHFFFAOYSA-N 0 3 468.671 5.132 50 0 JKAAHN Cc1ccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC(C)(C)C)cc1C ZINC000064746119 569625327 /nfs/dbraw/zinc/62/53/27/569625327.db2.gz ASJKADQQSJOJQS-UHFFFAOYSA-N 0 3 466.699 5.740 50 0 JKAAHN CSc1ccc(-c2nc3sc(N4CCN(C5CCCCC5)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064746118 569625367 /nfs/dbraw/zinc/62/53/67/569625367.db2.gz SVXCMICXZCHKPL-UHFFFAOYSA-N 0 3 484.739 5.845 50 0 JKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000033693552 569630895 /nfs/dbraw/zinc/63/08/95/569630895.db2.gz PADOVPMRAHXREZ-SQHAQQRYSA-N 0 3 466.560 5.435 50 0 JKAAHN COc1ccc(CCNC(=O)[C@H]2CC[C@@H](c3ccccc3)N(Cc3cccc(OC)c3)C2)cc1 ZINC000034669895 569640811 /nfs/dbraw/zinc/64/08/11/569640811.db2.gz QLGTWQMVYIQEOU-LSYYVWMOSA-N 0 3 458.602 5.016 50 0 JKAAHN CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2 ZINC000034671706 569640975 /nfs/dbraw/zinc/64/09/75/569640975.db2.gz SQTNFYWNXNCNAR-URLMMPGGSA-N 0 3 456.630 5.826 50 0 JKAAHN Cc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)NCCN3CCCCC3)cc2)cc1 ZINC000034679793 569642766 /nfs/dbraw/zinc/64/27/66/569642766.db2.gz PWYIPQMUUGSADG-UHFFFAOYSA-N 0 3 487.619 5.126 50 0 JKAAHN CC(C)c1ccc(CN2CCCN(c3ccc(NC(=O)c4ccc(F)cc4F)cn3)CC2)cc1 ZINC000034681909 569643625 /nfs/dbraw/zinc/64/36/25/569643625.db2.gz KTSPJIYXEWBVIZ-UHFFFAOYSA-N 0 3 464.560 5.448 50 0 JKAAHN COc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4C(F)(F)F)cn3)CC2)cc1 ZINC000034681946 569643698 /nfs/dbraw/zinc/64/36/98/569643698.db2.gz MMFBUPIMGNCITH-UHFFFAOYSA-N 0 3 484.522 5.074 50 0 JKAAHN O=C(Nc1ccc(N2CCCN(Cc3cccs3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034681952 569643722 /nfs/dbraw/zinc/64/37/22/569643722.db2.gz WZMFXCAWRZKPDG-UHFFFAOYSA-N 0 3 460.525 5.127 50 0 JKAAHN O=C(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682552 569644015 /nfs/dbraw/zinc/64/40/15/569644015.db2.gz IWKHLCKJSXRHTK-UHFFFAOYSA-N 0 3 474.473 6.295 50 0 JKAAHN O=C(NC1CC1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)N(Cc2ccccc2)CC3)o1 ZINC000034685560 569645141 /nfs/dbraw/zinc/64/51/41/569645141.db2.gz CKUHFPZJFFFZIC-SSEXGKCCSA-N 0 3 478.592 5.899 50 0 JKAAHN Cc1cccc(CN2CCc3ccc(O[C@@H](C)C(=O)NCC4CC4)cc3[C@@H]2c2ccccc2)c1 ZINC000034686581 569645280 /nfs/dbraw/zinc/64/52/80/569645280.db2.gz WFKVJXIUNROEBO-ZTOMLWHTSA-N 0 3 454.614 5.436 50 0 JKAAHN O=C(COc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1)CC2)Nc1cccc(Cl)c1 ZINC000034686587 569645417 /nfs/dbraw/zinc/64/54/17/569645417.db2.gz ZSUHCCPUVHXXBS-PMERELPUSA-N 0 3 483.011 6.505 50 0 JKAAHN O=C(c1cccs1)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](CN2CCN(c3ccccc3)CC2)C1 ZINC000034698058 569647643 /nfs/dbraw/zinc/64/76/43/569647643.db2.gz MQMSXNNVFXTIQT-URXFXBBRSA-N 0 3 499.602 5.445 50 0 JKAAHN O=C(c1cccs1)N1C[C@@H](CN2CCN(c3ccccc3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698055 569647713 /nfs/dbraw/zinc/64/77/13/569647713.db2.gz MQMSXNNVFXTIQT-ZJSXRUAMSA-N 0 3 499.602 5.445 50 0 JKAAHN Cc1ccc(CN2CCC(CNC(=O)c3ccc4nc(Cc5ccccc5)oc4c3)CC2)cc1 ZINC000064967970 569647726 /nfs/dbraw/zinc/64/77/26/569647726.db2.gz CFHGVBHVGGXPHK-UHFFFAOYSA-N 0 3 453.586 5.369 50 0 JKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccco2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698868 569647966 /nfs/dbraw/zinc/64/79/66/569647966.db2.gz ADDHYRFDVZGMRR-VAVYLYDRSA-N 0 3 456.630 6.279 50 0 JKAAHN Cc1ccccc1[C@H]1CN(Cc2ccco2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698827 569648018 /nfs/dbraw/zinc/64/80/18/569648018.db2.gz ZMFQLTWWTZAALK-GIGWZHCTSA-N 0 3 474.620 6.418 50 0 JKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698804 569648032 /nfs/dbraw/zinc/64/80/32/569648032.db2.gz ZILLPNFYGNAFRY-AOYPEHQESA-N 0 3 462.584 6.040 50 0 JKAAHN Cc1ccccc1[C@@H]1CN(Cc2cccn2C)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698836 569648083 /nfs/dbraw/zinc/64/80/83/569648083.db2.gz OCPPNMIEVSNRMK-FYBSXPHGSA-N 0 3 487.663 6.163 50 0 JKAAHN CC(C)CN(C[C@@H]1CN(Cc2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699026 569648155 /nfs/dbraw/zinc/64/81/55/569648155.db2.gz RYFZSHRMILLWDS-LBNVMWSVSA-N 0 3 462.584 5.979 50 0 JKAAHN Cn1cccc1CN1C[C@H](CN(C(=O)c2ccccc2)C2CCCCC2)[C@H](c2ccccc2)C1 ZINC000034699014 569648365 /nfs/dbraw/zinc/64/83/65/569648365.db2.gz UURHBBYSXCPWNR-UHSQPCAPSA-N 0 3 455.646 5.716 50 0 JKAAHN Cc1ccc([C@@H]2CN(Cc3ccccc3F)C[C@@H]2CN(Cc2cccnc2)C(=O)C(C)C)cc1 ZINC000034699294 569648394 /nfs/dbraw/zinc/64/83/94/569648394.db2.gz MLZUYSPIWJYFLW-SXOMAYOGSA-N 0 3 459.609 5.430 50 0 JKAAHN Cc1ccc(CN2C[C@H](CN(C(=O)c3cccc(F)c3)C3CC3)[C@H](c3ccc(F)cc3)C2)o1 ZINC000034699182 569648400 /nfs/dbraw/zinc/64/84/00/569648400.db2.gz SMIPPUNZRRSAJX-RLWLMLJZSA-N 0 3 450.529 5.387 50 0 JKAAHN Cc1ccc(CN2C[C@@H](c3ccc(F)cc3)[C@H](CN(C(=O)c3cccc(F)c3)C3CC3)C2)o1 ZINC000034699183 569648430 /nfs/dbraw/zinc/64/84/30/569648430.db2.gz SMIPPUNZRRSAJX-LVXARBLLSA-N 0 3 450.529 5.387 50 0 JKAAHN COc1cc(CN2C[C@H](CN(C(=O)c3ccccc3)C(C)C)[C@H](c3ccc(C)cc3)C2)cc(OC)c1 ZINC000034699084 569648499 /nfs/dbraw/zinc/64/84/99/569648499.db2.gz LYESCTJQDROWAM-OFSOJUDTSA-N 0 3 486.656 5.779 50 0 JKAAHN COc1ccc(CCNC(=O)[C@H]2C[C@@H](c3cccc(C)c3)CN(Cc3ccccc3F)C2)cc1 ZINC000034711426 569650861 /nfs/dbraw/zinc/65/08/61/569650861.db2.gz LCEMTHGHRHBMCJ-FTJBHMTQSA-N 0 3 460.593 5.107 50 0 JKAAHN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H](c2ccccc2)CN(Cc2ccc(F)c(F)c2)C1 ZINC000034711126 569650867 /nfs/dbraw/zinc/65/08/67/569650867.db2.gz UCHLTSVVRWXOGG-FGZHOGPDSA-N 0 3 488.500 5.906 50 0 JKAAHN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCN(Cc4cccs4)[C@@H](C)CC)cc3)ccc21 ZINC000065026897 569651616 /nfs/dbraw/zinc/65/16/16/569651616.db2.gz KTWPAUGOYYMMHZ-NRFANRHFSA-N 0 3 489.685 5.745 50 0 JKAAHN Cc1cccc(CNC(=O)[C@H]2C[C@@H](c3ccc(F)cc3)CN(Cc3ccc(F)cc3F)C2)c1 ZINC000034716763 569651863 /nfs/dbraw/zinc/65/18/63/569651863.db2.gz DOGFDCOVMRUCNZ-PKTZIBPZSA-N 0 3 452.520 5.334 50 0 JKAAHN Cc1cc([C@H]2C[C@H](C(=O)NCc3cccc(F)c3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716773 569651895 /nfs/dbraw/zinc/65/18/95/569651895.db2.gz DNHKYNWYGXIMTR-GOTSBHOMSA-N 0 3 452.520 5.334 50 0 JKAAHN Cc1cc([C@@H]2C[C@@H](C(=O)NCc3cccc(F)c3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716774 569651911 /nfs/dbraw/zinc/65/19/11/569651911.db2.gz DNHKYNWYGXIMTR-DHIUTWEWSA-N 0 3 452.520 5.334 50 0 JKAAHN Cc1cccc(CNC(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)CN(Cc3ccccc3Cl)C2)c1 ZINC000034716806 569651918 /nfs/dbraw/zinc/65/19/18/569651918.db2.gz RGVNQYIRXFLSKD-JWQCQUIFSA-N 0 3 465.012 6.018 50 0 JKAAHN Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c(C2CCN(Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034726126 569652763 /nfs/dbraw/zinc/65/27/63/569652763.db2.gz ULQRWVGYHWJEHD-XCZPVHLTSA-N 0 3 473.705 6.545 50 0 JKAAHN Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(C2CCN(Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034726140 569652777 /nfs/dbraw/zinc/65/27/77/569652777.db2.gz ZPEPETZSKKWWOK-UHSQPCAPSA-N 0 3 473.705 6.688 50 0 JKAAHN Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(C2CCN(Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034726142 569652800 /nfs/dbraw/zinc/65/28/00/569652800.db2.gz ZPEPETZSKKWWOK-WNJJXGMVSA-N 0 3 473.705 6.688 50 0 JKAAHN COc1cccc(CN2CCC(c3nc(C)ccc3C(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)c1 ZINC000034730119 569653302 /nfs/dbraw/zinc/65/33/02/569653302.db2.gz KTWLBULCGYHXRM-HOFKKMOUSA-N 0 3 461.650 5.573 50 0 JKAAHN COc1cc(CN2C[C@@H](C(=O)NCCc3ccccc3OC)CC[C@@H]2c2ccccc2)cc(OC)c1 ZINC000034733820 569653518 /nfs/dbraw/zinc/65/35/18/569653518.db2.gz ZGNAHFOZCBSBPQ-LBNVMWSVSA-N 0 3 488.628 5.025 50 0 JKAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054983 569653924 /nfs/dbraw/zinc/65/39/24/569653924.db2.gz JPAPTNYTSJTKIS-LJQANCHMSA-N 0 3 464.585 5.669 50 0 JKAAHN COc1cccc(Oc2ncc(-c3cccc(C(=O)NC4CCN(Cc5ccccc5)CC4)c3)cn2)c1 ZINC000065057967 569654584 /nfs/dbraw/zinc/65/45/84/569654584.db2.gz PMIOIOIJTJPZRP-UHFFFAOYSA-N 0 3 494.595 5.339 50 0 JKAAHN COc1ccc([C@@H](CCN2CCN(c3ccccc3C)CC2)Oc2ccc(C(C)C)cc2)cc1 ZINC000034740043 569655061 /nfs/dbraw/zinc/65/50/61/569655061.db2.gz LXIAKZNJOVYIQA-SSEXGKCCSA-N 0 3 458.646 6.459 50 0 JKAAHN COc1ccccc1CCNC(=O)[C@@H]1C[C@H](c2ccc(F)cc2)CN(Cc2ccc(F)cc2F)C1 ZINC000034739950 569655142 /nfs/dbraw/zinc/65/51/42/569655142.db2.gz CYWXKWSRZWYYQN-XZOQPEGZSA-N 0 3 482.546 5.077 50 0 JKAAHN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000034739904 569655166 /nfs/dbraw/zinc/65/51/66/569655166.db2.gz LGZFMBYPZHOXSF-VWNXMTODSA-N 0 3 462.977 5.338 50 0 JKAAHN CC(C)CN(C[C@H]1CN(Cc2ccccc2C(F)(F)F)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740477 569655254 /nfs/dbraw/zinc/65/52/54/569655254.db2.gz IRGAHQCHJJNPON-ISKFKSNPSA-N 0 3 478.574 6.201 50 0 JKAAHN COc1cccc([C@@H]2CN(Cc3cc(C)ccc3F)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740298 569655381 /nfs/dbraw/zinc/65/53/81/569655381.db2.gz ICPDNOKXHIAZRS-RSXGOPAZSA-N 0 3 454.630 5.499 50 0 JKAAHN Cc1ccc([C@@H]2CN(Cc3ccccc3F)C[C@@H]2CN(C(=O)C(C)C)C2CCCCC2)cc1 ZINC000034740757 569655595 /nfs/dbraw/zinc/65/55/95/569655595.db2.gz AVONKSZNEYGOKI-VPUSJEBWSA-N 0 3 450.642 6.167 50 0 JKAAHN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000034830091 569663590 /nfs/dbraw/zinc/66/35/90/569663590.db2.gz ONCAQLJPQJDOJT-ZTOMLWHTSA-N 0 3 493.717 5.115 50 0 JKAAHN CCN(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1)Cc1ccc(C(C)C)cc1 ZINC000034836513 569665561 /nfs/dbraw/zinc/66/55/61/569665561.db2.gz LGAJXMAVUYEVGQ-UHFFFAOYSA-N 0 3 463.645 5.217 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1)Cc1ccc(C)cc1C ZINC000034836414 569665612 /nfs/dbraw/zinc/66/56/12/569665612.db2.gz RUACSUVOFHMWQL-DEOSSOPVSA-N 0 3 491.699 5.879 50 0 JKAAHN CC[C@H](C)N(Cc1cccs1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1 ZINC000034836401 569665765 /nfs/dbraw/zinc/66/57/65/569665765.db2.gz NPXSMBUNKNYJAS-FQEVSTJZSA-N 0 3 469.674 5.324 50 0 JKAAHN CC[C@H](C)N(Cc1sccc1C)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(CC)CC1 ZINC000034836407 569665774 /nfs/dbraw/zinc/66/57/74/569665774.db2.gz OLLLVGRAJXQJPS-NRFANRHFSA-N 0 3 483.701 5.632 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(C[C@H](C)c1ccccc1)C1CC1 ZINC000034836682 569665960 /nfs/dbraw/zinc/66/59/60/569665960.db2.gz CUCBDWNYHIYURQ-DEOSSOPVSA-N 0 3 471.693 5.263 50 0 JKAAHN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(Cc1ccc(C)cc1C)C1CC1 ZINC000034836694 569665982 /nfs/dbraw/zinc/66/59/82/569665982.db2.gz SUHNFCSJHNUJFX-UHFFFAOYSA-N 0 3 471.693 5.276 50 0 JKAAHN CCOc1cccc(CN(Cc2c(CC)nn(-c3ccccc3)c2N2CCN(CC)CC2)C(C)C)c1 ZINC000034836855 569666082 /nfs/dbraw/zinc/66/60/82/569666082.db2.gz PNTMTBSCAMILFW-UHFFFAOYSA-N 0 3 489.708 5.386 50 0 JKAAHN CCCc1nn(-c2cccc(Cl)c2)c(N2CCN(C)CC2)c1CN(Cc1cccs1)C(C)C ZINC000034837027 569666295 /nfs/dbraw/zinc/66/62/95/569666295.db2.gz BGBCHLBGKOMWED-UHFFFAOYSA-N 0 3 486.129 5.702 50 0 JKAAHN O=C(NCc1cccnc1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000065314980 569672640 /nfs/dbraw/zinc/67/26/40/569672640.db2.gz QWBSKMLXZDOPIP-UHFFFAOYSA-N 0 3 473.020 5.266 50 0 JKAAHN Cc1cccc([C@@H]2[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924127 569673062 /nfs/dbraw/zinc/67/30/62/569673062.db2.gz MJCZFTKZTZYVPZ-LOYHVIPDSA-N 0 3 493.651 5.219 50 0 JKAAHN CCN1CCN(Cc2ccc(NC(=O)c3cc4cc5ccc(OC)c(Cl)c5nc4s3)cc2)CC1 ZINC000065321308 569674635 /nfs/dbraw/zinc/67/46/35/569674635.db2.gz CEPKZMHRGPNMMJ-UHFFFAOYSA-N 0 3 495.048 5.501 50 0 JKAAHN O=C([O-])c1c(C[NH2+]CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 ZINC000065321707 569674686 /nfs/dbraw/zinc/67/46/86/569674686.db2.gz LJBQTLVWIVJPFT-UHFFFAOYSA-N 0 3 495.667 5.822 50 0 JKAAHN C[N@H+](CCCNCc1c2ccccc2n(Cc2ccc(F)cc2Cl)c1C(=O)[O-])Cc1ccccc1 ZINC000065321900 569674812 /nfs/dbraw/zinc/67/48/12/569674812.db2.gz UHYUJMKIMYZEJI-UHFFFAOYSA-N 0 3 494.010 5.792 50 0 JKAAHN C[N@@H+](CCCNCc1c2ccccc2n(Cc2ccc(F)cc2Cl)c1C(=O)[O-])Cc1ccccc1 ZINC000065321900 569674813 /nfs/dbraw/zinc/67/48/13/569674813.db2.gz UHYUJMKIMYZEJI-UHFFFAOYSA-N 0 3 494.010 5.792 50 0 JKAAHN COc1ccc(-c2csc3ncnc(N4CCC[C@@H](CN(C)Cc5cccnc5)C4)c23)cc1 ZINC000065567861 569676169 /nfs/dbraw/zinc/67/61/69/569676169.db2.gz WBLVXHHMEMQCMI-FQEVSTJZSA-N 0 3 459.619 5.110 50 0 JKAAHN COc1ccc(-c2csc3ncnc(N4CCC[C@H](CN(C)Cc5cccnc5)C4)c23)cc1 ZINC000065567864 569676192 /nfs/dbraw/zinc/67/61/92/569676192.db2.gz WBLVXHHMEMQCMI-HXUWFJFHSA-N 0 3 459.619 5.110 50 0 JKAAHN Cn1cc([C@@H](CC(=O)NCCN2CCCC2)c2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000035372074 569682972 /nfs/dbraw/zinc/68/29/72/569682972.db2.gz NRQDRQXFSZQFKE-MHZLTWQESA-N 0 3 467.613 5.705 50 0 JKAAHN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](Cc2ccccc2)N[C@]12C(=O)Nc1c2cccc1Cl ZINC000035375726 569684522 /nfs/dbraw/zinc/68/45/22/569684522.db2.gz VTSREMREDFPZCQ-RYGBOPQRSA-N 0 3 496.394 5.009 50 0 JKAAHN O=C(C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1)N1CCCCC1 ZINC000035451437 569696839 /nfs/dbraw/zinc/69/68/39/569696839.db2.gz MXTPHAGBHHQUMV-UHFFFAOYSA-N 0 3 450.026 5.568 50 0 JKAAHN Cc1noc(C)c1CCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000035451507 569696876 /nfs/dbraw/zinc/69/68/76/569696876.db2.gz DWEUXACGRLCHCX-UHFFFAOYSA-N 0 3 488.607 5.004 50 0 JKAAHN Cc1ccc(CN2CCC(CNC(=O)c3nn(C)c4c3CSc3ccc(Cl)cc3-4)CC2)cc1 ZINC000035534876 569701551 /nfs/dbraw/zinc/70/15/51/569701551.db2.gz QBLLSYWEOBVXTD-UHFFFAOYSA-N 0 3 481.065 5.297 50 0 JKAAHN O=C(c1ccc(COc2ccc(Br)cc2)o1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000035657279 569705981 /nfs/dbraw/zinc/70/59/81/569705981.db2.gz XQFZUQLUENIKJF-UHFFFAOYSA-N 0 3 499.449 5.348 50 0 JKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649471 569712337 /nfs/dbraw/zinc/71/23/37/569712337.db2.gz XGHYCZPEEGXEHF-UHFFFAOYSA-N 0 3 481.575 5.421 50 0 JKAAHN CN(C)c1ccc(C2=NO[C@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C3CCCC3)C2)cc1 ZINC000035835128 569713365 /nfs/dbraw/zinc/71/33/65/569713365.db2.gz GTXUTQKWEAJXEE-QHCPKHFHSA-N 0 3 473.539 5.483 50 0 JKAAHN CN(C)c1ccc(C2=NO[C@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)c3cccs3)C2)cc1 ZINC000035835122 569713381 /nfs/dbraw/zinc/71/33/81/569713381.db2.gz KRNLIRAPRPIFPC-NRFANRHFSA-N 0 3 487.547 5.669 50 0 JKAAHN CC(C)CCN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000035840691 569713766 /nfs/dbraw/zinc/71/37/66/569713766.db2.gz WMIJHQVOYGEUIE-HHHXNRCGSA-N 0 3 466.666 5.853 50 0 JKAAHN O[C@@H](COCc1ccco1)CN(Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035840580 569713831 /nfs/dbraw/zinc/71/38/31/569713831.db2.gz HHWMKTBUYBHDNS-AREMUKBSSA-N 0 3 454.586 5.229 50 0 JKAAHN COc1ccc(OC[C@H](O)CN(Cc2cccn2Cc2cccc(F)c2)C2CCCCC2)cc1 ZINC000035840802 569713959 /nfs/dbraw/zinc/71/39/59/569713959.db2.gz HNUYMRTULHBEBQ-AREMUKBSSA-N 0 3 466.597 5.259 50 0 JKAAHN CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)(C)CO ZINC000035842654 569714115 /nfs/dbraw/zinc/71/41/15/569714115.db2.gz LJIVEXPGAPZPEZ-UHFFFAOYSA-N 0 3 477.693 5.520 50 0 JKAAHN CC(C)(C)C(=O)[C@@H]1C(C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000035843197 569714432 /nfs/dbraw/zinc/71/44/32/569714432.db2.gz FYVWOXLHBWEHRJ-ZGQJUUMOSA-N 0 3 494.566 5.414 50 0 JKAAHN c1ccc(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c(N2CCCCC2)c1 ZINC000086012764 569716845 /nfs/dbraw/zinc/71/68/45/569716845.db2.gz FPQYIRBFZLNVLL-UHFFFAOYSA-N 0 3 461.674 7.722 50 0 JKAAHN C[C@H](NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C3CCCC3)C[C@H]12)c1ccccc1 ZINC000035871496 569718697 /nfs/dbraw/zinc/71/86/97/569718697.db2.gz USZLTFXXAPXIGE-XYURVEJXSA-N 0 3 471.567 5.188 50 0 JKAAHN CCn1cc([C@@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccc(C)cc2)c2ccccc21 ZINC000035872115 569719243 /nfs/dbraw/zinc/71/92/43/569719243.db2.gz YNFSTDQQYNUADH-LJAQVGFWSA-N 0 3 479.668 6.272 50 0 JKAAHN CC[C@H](C)c1ccc([C@@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C(C)C)cc1 ZINC000089942361 569720560 /nfs/dbraw/zinc/72/05/60/569720560.db2.gz FDNDXCBTGPAKGY-HJPURHCSSA-N 0 3 451.032 5.182 50 0 JKAAHN CC[C@@H](C)c1ccc([C@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C(C)C)cc1 ZINC000089942358 569720617 /nfs/dbraw/zinc/72/06/17/569720617.db2.gz FDNDXCBTGPAKGY-WAIKUNEKSA-N 0 3 451.032 5.182 50 0 JKAAHN O=C(Nc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@@H]12 ZINC000035908054 569723677 /nfs/dbraw/zinc/72/36/77/569723677.db2.gz DPFNBUONIKTKMH-AHWVRZQESA-N 0 3 497.536 5.389 50 0 JKAAHN CCc1cccc2c([C@H](CC(=O)N(CCN(C)C)Cc3ccccc3)c3ccccc3Cl)c[nH]c21 ZINC000035908334 569724023 /nfs/dbraw/zinc/72/40/23/569724023.db2.gz UUFNGXUYGPXMCM-AREMUKBSSA-N 0 3 488.075 6.496 50 0 JKAAHN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000095483644 569725145 /nfs/dbraw/zinc/72/51/45/569725145.db2.gz RSYSVVPXMQQROL-ZLNRFVROSA-N 0 3 467.352 5.607 50 0 JKAAHN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCCN(Cc4ccc(C(C)C)cc4)CC3)c12 ZINC000035924676 569728161 /nfs/dbraw/zinc/72/81/61/569728161.db2.gz MTDUETFIRRYIFD-UHFFFAOYSA-N 0 3 496.703 6.158 50 0 JKAAHN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000035925684 569729006 /nfs/dbraw/zinc/72/90/06/569729006.db2.gz ZZYPPJSXTKQVHX-UHFFFAOYSA-N 0 3 494.565 5.499 50 0 JKAAHN CCc1ccc([C@H](Cc2ccc(OCCN3CCCC3)cc2)C(=O)c2ccccc2Cl)nc1 ZINC000095918071 569729381 /nfs/dbraw/zinc/72/93/81/569729381.db2.gz HUHZTNVGOBGPNU-VWLOTQADSA-N 0 3 463.021 5.981 50 0 JKAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000095909135 569729472 /nfs/dbraw/zinc/72/94/72/569729472.db2.gz YCKZIYVRIPZFNG-ZRBLBEILSA-N 0 3 499.350 5.062 50 0 JKAAHN CC(C)c1ccc(-n2nc3nc(NCCN4CCCCC4)nc(-c4ccccc4)c3c2N)cc1 ZINC000035929625 569731444 /nfs/dbraw/zinc/73/14/44/569731444.db2.gz ZLGXZCTWBYAALO-UHFFFAOYSA-N 0 3 455.610 5.086 50 0 JKAAHN COc1ccc(CNCc2cnc(C)c3oc(-c4cc(=O)oc5c(C)c(C)ccc45)cc32)cc1OC ZINC000096113726 569732857 /nfs/dbraw/zinc/73/28/57/569732857.db2.gz JHAOYRMGRHSGRL-UHFFFAOYSA-N 0 3 484.552 5.833 50 0 biogenic JKAAHN Cc1ncc(CN(C)Cc2ccccc2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116447 569735328 /nfs/dbraw/zinc/73/53/28/569735328.db2.gz WTFAQJKXYOCEIF-UHFFFAOYSA-N 0 3 450.538 6.030 50 0 biogenic JKAAHN CCOC(=O)C1=C(CN(C)C2CCCCC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991387 569744522 /nfs/dbraw/zinc/74/45/22/569744522.db2.gz KOKKJIZHJFAVCD-OAQYLSRUSA-N 0 3 468.425 5.161 50 0 JKAAHN Cc1ccc(C)c(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000036031494 569751970 /nfs/dbraw/zinc/75/19/70/569751970.db2.gz AOILCUQZOFFTFQ-QHCPKHFHSA-N 0 3 453.966 5.128 50 0 JKAAHN CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CCC(C)C)C[C@@H](O)COCc1ccco1 ZINC000036249755 569758144 /nfs/dbraw/zinc/75/81/44/569758144.db2.gz JHOUBHRGOFTJIF-HSZRJFAPSA-N 0 3 487.616 5.346 50 0 JKAAHN CC(C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000036301558 569759064 /nfs/dbraw/zinc/75/90/64/569759064.db2.gz TTYOCZYJYYGHTC-RUZDIDTESA-N 0 3 455.602 5.693 50 0 JKAAHN COc1ccc(Oc2c(CN(C[C@@H](C)O)CC3CC3)c(C)nn2-c2cccc(Cl)c2)cc1 ZINC000036301707 569759159 /nfs/dbraw/zinc/75/91/59/569759159.db2.gz YQOMAKRCKJNGEX-QGZVFWFLSA-N 0 3 455.986 5.228 50 0 JKAAHN C[C@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CCN(C)C)C(=S)Nc1ccc(F)cc1 ZINC000036312918 569760403 /nfs/dbraw/zinc/76/04/03/569760403.db2.gz HKJSVDYSPZBVMO-FQEVSTJZSA-N 0 3 495.668 5.620 50 0 JKAAHN C[C@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CCN(C)C)C(=O)c1cccc(F)c1 ZINC000036312855 569760464 /nfs/dbraw/zinc/76/04/64/569760464.db2.gz DQUCMLVLPYPHOD-FQEVSTJZSA-N 0 3 464.585 5.064 50 0 JKAAHN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C ZINC000036313772 569761023 /nfs/dbraw/zinc/76/10/23/569761023.db2.gz PPKTXAQTPRKPAG-QHCPKHFHSA-N 0 3 481.637 5.276 50 0 JKAAHN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000036313820 569761085 /nfs/dbraw/zinc/76/10/85/569761085.db2.gz CLPJXIYNMFNPGH-QHCPKHFHSA-N 0 3 469.601 5.407 50 0 JKAAHN CCCCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036313835 569761103 /nfs/dbraw/zinc/76/11/03/569761103.db2.gz NCWJRMHHTVHIHX-HSZRJFAPSA-N 0 3 469.601 5.408 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036313853 569761133 /nfs/dbraw/zinc/76/11/33/569761133.db2.gz KUDMUSRMNWNHDN-DEOSSOPVSA-N 0 3 498.067 6.398 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036313840 569761139 /nfs/dbraw/zinc/76/11/39/569761139.db2.gz MWFWZBXNIBAISF-XMMPIXPASA-N 0 3 479.640 6.690 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036313795 569761261 /nfs/dbraw/zinc/76/12/61/569761261.db2.gz GJULVXIDBGXJNC-QHCPKHFHSA-N 0 3 465.638 5.897 50 0 JKAAHN CCCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313958 569761587 /nfs/dbraw/zinc/76/15/87/569761587.db2.gz ZLFGSBPHIXHLTH-JOCHJYFZSA-N 0 3 451.611 5.651 50 0 JKAAHN CCCCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313978 569761626 /nfs/dbraw/zinc/76/16/26/569761626.db2.gz PKGZUROPKIDHPM-QHCPKHFHSA-N 0 3 469.601 5.408 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036313922 569761692 /nfs/dbraw/zinc/76/16/92/569761692.db2.gz IAXKKYQXQKGVNM-XMMPIXPASA-N 0 3 463.622 5.745 50 0 JKAAHN CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@H](O)COC(C)C ZINC000036316230 569762305 /nfs/dbraw/zinc/76/23/05/569762305.db2.gz BFFBSJYCSBDBBQ-DEOSSOPVSA-N 0 3 465.638 5.471 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)c1ccccc1 ZINC000036316212 569762386 /nfs/dbraw/zinc/76/23/86/569762386.db2.gz YPELQNCDXLCPAD-AMGIVPHBSA-N 0 3 455.602 6.214 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C(C)C ZINC000036316557 569763294 /nfs/dbraw/zinc/76/32/94/569763294.db2.gz WZHHUNBEAQUHIS-FQEVSTJZSA-N 0 3 458.002 5.141 50 0 JKAAHN CCCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341942 569764905 /nfs/dbraw/zinc/76/49/05/569764905.db2.gz LSUDYYLXORYLTJ-DEOSSOPVSA-N 0 3 470.057 6.636 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)[C@@H](C)CC ZINC000036342019 569765138 /nfs/dbraw/zinc/76/51/38/569765138.db2.gz DJXZBNVSSCHMDO-UGKGYDQZSA-N 0 3 455.574 5.110 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036342072 569765237 /nfs/dbraw/zinc/76/52/37/569765237.db2.gz UFVXQFREMLIJOW-BWKNWUBXSA-N 0 3 483.628 5.746 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000036342071 569765243 /nfs/dbraw/zinc/76/52/43/569765243.db2.gz HAZHDLFDAJMUBC-RDPSFJRHSA-N 0 3 469.601 5.499 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036342073 569765355 /nfs/dbraw/zinc/76/53/55/569765355.db2.gz UFVXQFREMLIJOW-OFVILXPXSA-N 0 3 483.628 5.746 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036342074 569765376 /nfs/dbraw/zinc/76/53/76/569765376.db2.gz NHZSDIKWFHMHAA-YKSBVNFPSA-N 0 3 483.628 5.889 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(CC(C)C)C[C@H](O)COCC(C)C ZINC000036342024 569765389 /nfs/dbraw/zinc/76/53/89/569765389.db2.gz DZHVBYAHTPHHFH-VWLOTQADSA-N 0 3 483.628 5.604 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CN(C[C@H](O)c1ccccc1)CC1CC1 ZINC000036342112 569765533 /nfs/dbraw/zinc/76/55/33/569765533.db2.gz KGASQGAHLSGMTM-NDEPHWFRSA-N 0 3 471.576 6.058 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CC(C)C)C[C@@H](O)COC(C)C ZINC000036345962 569768535 /nfs/dbraw/zinc/76/85/35/569768535.db2.gz PXNMFUFFOHDUTP-HSZRJFAPSA-N 0 3 469.601 5.356 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036345971 569768618 /nfs/dbraw/zinc/76/86/18/569768618.db2.gz WFKZUFJFXFWWJQ-QHCPKHFHSA-N 0 3 483.628 5.746 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CC(C)C)C[C@@H](O)COCC(C)C ZINC000036346222 569769162 /nfs/dbraw/zinc/76/91/62/569769162.db2.gz SROBGHKZHWUEQB-RUZDIDTESA-N 0 3 483.628 5.604 50 0 JKAAHN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036346219 569769189 /nfs/dbraw/zinc/76/91/89/569769189.db2.gz XLQWLJIEIXNCLP-HHHXNRCGSA-N 0 3 487.619 6.174 50 0 JKAAHN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346212 569769192 /nfs/dbraw/zinc/76/91/92/569769192.db2.gz DINYZNJWZXOZFM-XMMPIXPASA-N 0 3 453.602 6.121 50 0 JKAAHN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346213 569769256 /nfs/dbraw/zinc/76/92/56/569769256.db2.gz XPAXBIYBLGQDHI-RUZDIDTESA-N 0 3 483.628 5.748 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036346317 569769534 /nfs/dbraw/zinc/76/95/34/569769534.db2.gz LFNPGAZHABVBTM-YKSBVNFPSA-N 0 3 483.628 5.889 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)[C@@H](C)CC ZINC000036346562 569770137 /nfs/dbraw/zinc/77/01/37/569770137.db2.gz WOBFMMXUQLTEOH-AVRDEDQJSA-N 0 3 473.564 5.249 50 0 JKAAHN Cc1ccc(Oc2c(CN(CC(C)C)C[C@@H](O)Cc3ccccc3)c(-c3ccccc3)nn2C)cc1 ZINC000036346774 569770829 /nfs/dbraw/zinc/77/08/29/569770829.db2.gz UWQOYRBKSBGHTC-MHZLTWQESA-N 0 3 483.656 6.249 50 0 JKAAHN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346792 569770850 /nfs/dbraw/zinc/77/08/50/569770850.db2.gz DGBDPZRSGVKIJF-QHCPKHFHSA-N 0 3 451.611 5.043 50 0 JKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000100880471 569774087 /nfs/dbraw/zinc/77/40/87/569774087.db2.gz SCDMWIVARPGQQM-BDTNDASRSA-N 0 3 497.776 5.462 50 0 JKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000100880471 569774089 /nfs/dbraw/zinc/77/40/89/569774089.db2.gz SCDMWIVARPGQQM-BDTNDASRSA-N 0 3 497.776 5.462 50 0 JKAAHN CSc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100885098 569774214 /nfs/dbraw/zinc/77/42/14/569774214.db2.gz POLMJDIEAXQIPX-FKBYEOEOSA-N 0 3 484.499 5.478 50 0 JKAAHN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc3c(c2)OCCO3)N2C[C@H](C)C[C@H](C)C2)c1C ZINC000036405661 569775434 /nfs/dbraw/zinc/77/54/34/569775434.db2.gz XRXVBSQYFGNTKU-LEHBWIKQSA-N 0 3 480.630 6.049 50 0 JKAAHN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000101035559 569780340 /nfs/dbraw/zinc/78/03/40/569780340.db2.gz HEBPGXFSRJKKIQ-BDTNDASRSA-N 0 3 469.324 5.053 50 0 JKAAHN COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)C2ON1c1ccccc1 ZINC000101063106 569780918 /nfs/dbraw/zinc/78/09/18/569780918.db2.gz XGKXKPRQITVARF-VWPQPMDRSA-N 0 3 469.324 5.053 50 0 JKAAHN CC[C@@H](C(=O)NCCN1CCCC1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398413 569787217 /nfs/dbraw/zinc/78/72/17/569787217.db2.gz FIFXGDZEHQAVQT-NRFANRHFSA-N 0 3 459.421 5.097 50 0 JKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101216929 569787348 /nfs/dbraw/zinc/78/73/48/569787348.db2.gz QELXDQHSKNAKKE-NXCFDTQHSA-N 0 3 490.531 5.064 50 0 JKAAHN COCCN(C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037523702 569792818 /nfs/dbraw/zinc/79/28/18/569792818.db2.gz DHAGJVWJCBQOKF-ZJSXRUAMSA-N 0 3 480.546 5.191 50 0 JKAAHN CC(C)CN(C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000037524373 569793152 /nfs/dbraw/zinc/79/31/52/569793152.db2.gz FNPXVOPFENBXQK-WIOPSUGQSA-N 0 3 478.574 6.201 50 0 JKAAHN COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCCCC2)cc1 ZINC000038545954 569802454 /nfs/dbraw/zinc/80/24/54/569802454.db2.gz NLGCSWOYXFSFBX-XMMPIXPASA-N 0 3 450.604 6.056 50 0 JKAAHN COc1cccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCC(C)CC2)c1 ZINC000038546312 569802983 /nfs/dbraw/zinc/80/29/83/569802983.db2.gz KTGAIHAUIWBLOF-RUZDIDTESA-N 0 3 464.631 6.302 50 0 JKAAHN COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CCC(C)CC2)c1 ZINC000038546706 569803485 /nfs/dbraw/zinc/80/34/85/569803485.db2.gz CGEFUMGTUDHFRZ-QHCPKHFHSA-N 0 3 454.661 6.509 50 0 JKAAHN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)c(C(C)C)c1 ZINC000039183456 569809292 /nfs/dbraw/zinc/80/92/92/569809292.db2.gz FWSBAKFIRHTBCY-NSOVKSMOSA-N 0 3 478.702 6.776 50 0 JKAAHN CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H](O)N2CCCC2)c2ccccc12 ZINC000039929736 569812240 /nfs/dbraw/zinc/81/22/40/569812240.db2.gz CTLLLONHGCGTMU-WJOKGBTCSA-N 0 3 496.651 6.442 50 0 JKAAHN CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H](O)N2CCCC2)c2ccccc12 ZINC000039929735 569812305 /nfs/dbraw/zinc/81/23/05/569812305.db2.gz CTLLLONHGCGTMU-HKBQPEDESA-N 0 3 496.651 6.442 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000102663126 569815253 /nfs/dbraw/zinc/81/52/53/569815253.db2.gz ARTLOQKLSBNWJP-PCCBWWKXSA-N 0 3 457.288 5.184 50 0 JKAAHN COc1cccc([C@@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000102707698 569816876 /nfs/dbraw/zinc/81/68/76/569816876.db2.gz JAKSDEKBLIRJKK-YPAWHYETSA-N 0 3 469.324 5.053 50 0 JKAAHN Cc1ccc(Cl)cc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C1=O ZINC000102715403 569817020 /nfs/dbraw/zinc/81/70/20/569817020.db2.gz YFEBEVINXQOVED-BHIFYINESA-N 0 3 497.776 5.462 50 0 JKAAHN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1C1CCN(Cc2ccccc2)CC1 ZINC000102716672 569817036 /nfs/dbraw/zinc/81/70/36/569817036.db2.gz LAIXBTLGHSWOIT-UHFFFAOYSA-N 0 3 465.022 5.690 50 0 JKAAHN CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000102727454 569818006 /nfs/dbraw/zinc/81/80/06/569818006.db2.gz ZJEZDPAHFJVQDT-TZRRMPRUSA-N 0 3 462.571 5.368 50 0 JKAAHN CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C(=O)C2ON1c1ccccc1 ZINC000102729715 569818111 /nfs/dbraw/zinc/81/81/11/569818111.db2.gz VEZFHJVGNZZXTO-ZPOKTZCFSA-N 0 3 450.579 5.370 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@H]3C2=O)cc1 ZINC000102734250 569818477 /nfs/dbraw/zinc/81/84/77/569818477.db2.gz BLEWUOTVXDZSIJ-TZRRMPRUSA-N 0 3 462.933 5.180 50 0 JKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C1=O ZINC000102735042 569818584 /nfs/dbraw/zinc/81/85/84/569818584.db2.gz DARZNMVGTHKPQI-BHIFYINESA-N 0 3 453.325 5.353 50 0 JKAAHN 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Cc1ccc(CN2C[C@@H](CN(C(=O)c3cccc(F)c3)C3CC3)[C@@H](c3ccc(F)cc3)C2)o1 ZINC000169679692 569870013 /nfs/dbraw/zinc/87/00/13/569870013.db2.gz SMIPPUNZRRSAJX-HFZDXXHNSA-N 0 3 450.529 5.387 50 0 JKAAHN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000169680016 569870026 /nfs/dbraw/zinc/87/00/26/569870026.db2.gz QZNCKAWIYKWUHU-LADGPHEKSA-N 0 3 465.638 5.574 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)(C)C ZINC000169680009 569870147 /nfs/dbraw/zinc/87/01/47/569870147.db2.gz DIUQGRGQPGNNAG-ISKFKSNPSA-N 0 3 479.665 5.964 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COCC(C)C ZINC000169680282 569870303 /nfs/dbraw/zinc/87/03/03/569870303.db2.gz JGTMGNIYZMOICN-ISKFKSNPSA-N 0 3 495.664 5.522 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)C ZINC000169680306 569870379 /nfs/dbraw/zinc/87/03/79/569870379.db2.gz WKONNEUVQSFMJK-RCZVLFRGSA-N 0 3 465.638 5.668 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)C ZINC000169680307 569870394 /nfs/dbraw/zinc/87/03/94/569870394.db2.gz WKONNEUVQSFMJK-WIOPSUGQSA-N 0 3 465.638 5.668 50 0 JKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000169680341 569870513 /nfs/dbraw/zinc/87/05/13/569870513.db2.gz APWGJNYOCUHSHT-WIOPSUGQSA-N 0 3 465.638 5.668 50 0 JKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000169680605 569870677 /nfs/dbraw/zinc/87/06/77/569870677.db2.gz NHZSDIKWFHMHAA-HYBUGGRVSA-N 0 3 483.628 5.889 50 0 JKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COCC(C)C ZINC000169681943 569870980 /nfs/dbraw/zinc/87/09/80/569870980.db2.gz NSVUJGQHXJDCSG-ISKFKSNPSA-N 0 3 465.638 5.513 50 0 JKAAHN CC(C)N(C[C@H]1CN(Cc2cccn2C)C[C@H]1c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000225075361 569973487 /nfs/dbraw/zinc/97/34/87/569973487.db2.gz DCTADPKXNNCYLW-GJZUVCINSA-N 0 3 451.561 5.070 50 0 JKAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000226820758 570038733 /nfs/dbraw/zinc/03/87/33/570038733.db2.gz JAKSDEKBLIRJKK-BHDDXSALSA-N 0 3 469.324 5.053 50 0 JKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N21 ZINC000226838687 570038789 /nfs/dbraw/zinc/03/87/89/570038789.db2.gz DXFZWQNVFLFBHW-OSSDZZHWSA-N 0 3 482.967 5.211 50 0 JKAAHN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)C3ON2c2ccccc2)c1 ZINC000226820724 570038793 /nfs/dbraw/zinc/03/87/93/570038793.db2.gz HYGAUVLNAWWTMG-TUNNFDKTSA-N 0 3 469.324 5.053 50 0 JKAAHN CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000226842651 570038947 /nfs/dbraw/zinc/03/89/47/570038947.db2.gz FWTOXAOGUDVTRJ-UPRLRBBYSA-N 0 3 476.576 6.188 50 0 JKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@@H]2C1=O ZINC000226989642 570039758 /nfs/dbraw/zinc/03/97/58/570039758.db2.gz CRYCDDDPTISSKT-FDFHNCONSA-N 0 3 453.325 5.353 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229936081 570042424 /nfs/dbraw/zinc/04/24/24/570042424.db2.gz CIVBBXOPQCRVEW-PWRODBHTSA-N 0 3 483.749 5.154 50 0 JKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000229996721 570043218 /nfs/dbraw/zinc/04/32/18/570043218.db2.gz AHVAHEGIIFNXEB-ISJGIBHGSA-N 0 3 476.960 5.570 50 0 JKAAHN CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(CC)cc2)cc1 ZINC000230000311 570043403 /nfs/dbraw/zinc/04/34/03/570043403.db2.gz ZFEIGZFMWSEKRO-JIMJEQGWSA-N 0 3 456.542 5.089 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(CC)cc4)[C@@H]3C2=O)cc1 ZINC000230000311 570043405 /nfs/dbraw/zinc/04/34/05/570043405.db2.gz ZFEIGZFMWSEKRO-JIMJEQGWSA-N 0 3 456.542 5.089 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1F ZINC000230015457 570043510 /nfs/dbraw/zinc/04/35/10/570043510.db2.gz GFCQWPOTDVZCGL-PWRODBHTSA-N 0 3 457.288 5.184 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)c(C)c1 ZINC000230019192 570043621 /nfs/dbraw/zinc/04/36/21/570043621.db2.gz VFGVPJFOWZWFSG-JIMJEQGWSA-N 0 3 454.570 5.652 50 0 JKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000230028767 570043762 /nfs/dbraw/zinc/04/37/62/570043762.db2.gz LQZRBGXDTNKSHL-YTFSRNRJSA-N 0 3 490.346 5.593 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c(C)c1 ZINC000230050464 570044138 /nfs/dbraw/zinc/04/41/38/570044138.db2.gz PINIHTSUYLLQKH-YTFSRNRJSA-N 0 3 450.897 5.147 50 0 JKAAHN COc1ccccc1CN1C[C@@H](c2ccccc2OC)[C@H](CN(CC(C)C)C(=O)c2ccccc2)C1 ZINC000230155550 570046078 /nfs/dbraw/zinc/04/60/78/570046078.db2.gz PCVMLOOBHWLPSI-XTEPFMGCSA-N 0 3 486.656 5.718 50 0 JKAAHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000238901300 570047728 /nfs/dbraw/zinc/04/77/28/570047728.db2.gz LFKSTPLPVXVNTB-NJDAHSKKSA-N 0 3 473.743 5.698 50 0 JKAAHN C[C@H]1CCCCN1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245228618 570055778 /nfs/dbraw/zinc/05/57/78/570055778.db2.gz ZPRQUIUBDZFRCD-PZGXJGMVSA-N 0 3 494.680 5.066 50 0 JKAAHN CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](Cc4ccccc4)[C@H]3C2=O)cc1 ZINC000245310383 570063223 /nfs/dbraw/zinc/06/32/23/570063223.db2.gz IPFLJDRUQGGQBC-OYUWMTPXSA-N 0 3 470.569 5.177 50 0 JKAAHN CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000245310323 570063251 /nfs/dbraw/zinc/06/32/51/570063251.db2.gz IEDYHFDKIHVILF-TWJOJJKGSA-N 0 3 456.542 5.307 50 0 JKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(C(F)(F)F)c4)[C@H]3C2=O)c(C)c1 ZINC000245311678 570063541 /nfs/dbraw/zinc/06/35/41/570063541.db2.gz PZQIEIGSQXECJF-DNVJHFABSA-N 0 3 466.459 5.373 50 0 JKAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1 ZINC000245311669 570063548 /nfs/dbraw/zinc/06/35/48/570063548.db2.gz PXSBOFFPANTTHJ-XPWALMASSA-N 0 3 467.352 5.607 50 0 JKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000245324840 570064036 /nfs/dbraw/zinc/06/40/36/570064036.db2.gz AHVAHEGIIFNXEB-UBFVSLLYSA-N 0 3 476.960 5.570 50 0 JKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)cc1 ZINC000245329157 570066156 /nfs/dbraw/zinc/06/61/56/570066156.db2.gz XTWMYHIEGIATNO-ZONZVBGPSA-N 0 3 484.596 5.824 50 0 JKAAHN Cc1ccc(N2C(=O)[C@H]3[C@H]4Cc5ccccc5CN4[C@H](c4ccc(Br)cc4)[C@H]3C2=O)cc1 ZINC000248096809 570073988 /nfs/dbraw/zinc/07/39/88/570073988.db2.gz IHCCNYSQNVISOB-WSOYEBOPSA-N 0 3 487.397 5.045 50 0 JKAAHN COCCN(C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1C)C(=O)C(C)C ZINC000248120841 570074501 /nfs/dbraw/zinc/07/45/01/570074501.db2.gz XPEYLXKWZFOJEJ-WIOPSUGQSA-N 0 3 476.583 5.360 50 0 JKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000248124125 570074626 /nfs/dbraw/zinc/07/46/26/570074626.db2.gz ZILLPNFYGNAFRY-AZGAKELHSA-N 0 3 462.584 6.040 50 0 JKAAHN CC(C)CN(C[C@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248249910 570076721 /nfs/dbraw/zinc/07/67/21/570076721.db2.gz RYFZSHRMILLWDS-NAKRPHOHSA-N 0 3 462.584 5.979 50 0 JKAAHN COc1cccc([C@@H]2CN(Cc3ccccc3Cl)C[C@H]2CN(CC(C)C)C(=O)c2ccccc2)c1 ZINC000248271441 570077308 /nfs/dbraw/zinc/07/73/08/570077308.db2.gz ZQYQUWQCESTEPU-XCZPVHLTSA-N 0 3 491.075 6.363 50 0 JKAAHN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)CCN5CCCC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000252441164 570080500 /nfs/dbraw/zinc/08/05/00/570080500.db2.gz IQWDZXKZGAIZNS-MBNJRBNZSA-N 0 3 483.737 6.578 50 0 JKAAHN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)CCN5CCCC(C)(C)C5)CC[C@@]43C)[C@H]1CCC2=O ZINC000252441510 570080583 /nfs/dbraw/zinc/08/05/83/570080583.db2.gz ZRQKIWOCYULNCN-VRUJONNPSA-N 0 3 455.683 5.942 50 0 biogenic JKAAHN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)CCN5CCCC(C)(C)C5)CC[C@@]43C)[C@H]1CCC2=O ZINC000253501821 570102512 /nfs/dbraw/zinc/10/25/12/570102512.db2.gz ZRQKIWOCYULNCN-BAHFMZLTSA-N 0 3 455.683 5.942 50 0 JKAAHN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)CCN5CCCC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253612734 570104860 /nfs/dbraw/zinc/10/48/60/570104860.db2.gz IQWDZXKZGAIZNS-STZFGXNFSA-N 0 3 483.737 6.578 50 0 JKAAHN Cc1ccsc1C(=O)N(CCN(C)C)Cc1cc2ccc(F)cc2nc1-c1ccccc1C ZINC000299765344 570175202 /nfs/dbraw/zinc/17/52/02/570175202.db2.gz FVSSEEIBEGMNLU-UHFFFAOYSA-N 0 3 461.606 5.923 50 0 JKAAHN CSc1ccc2cc(CNCCc3nc4ccccc4[nH]3)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000299785092 570176624 /nfs/dbraw/zinc/17/66/24/570176624.db2.gz JLLTWVUGQDMEHI-UHFFFAOYSA-N 0 3 489.044 5.634 50 0 JKAAHN COc1ccc(-c2nc3cc(SC)ccc3cc2CNC[C@@H]2COc3ccccc3O2)cc1 ZINC000299797135 570177390 /nfs/dbraw/zinc/17/73/90/570177390.db2.gz RNEOIVBURVULBS-JOCHJYFZSA-N 0 3 458.583 5.562 50 0 JKAAHN