smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)Cc1ccccc1Sc1ccccc1Cl ZINC000000015129 570245397 /nfs/dbraw/zinc/24/53/97/570245397.db2.gz CAZPVIDRPGRYIF-UHFFFAOYSA-N 0 3 277.820 4.553 50 0 CJAAHN CCc1c(C)[nH]c(/C=C2\N=C(C)C(CC)=C2C)c1C ZINC000000053114 567917301 /nfs/dbraw/zinc/91/73/01/567917301.db2.gz QSPGBUOFJNDGBP-MFOYZWKCSA-N 0 3 256.393 4.736 50 0 CJAAHN COc1ccc2nc(C)cc(Nc3cccc(Cl)c3)c2c1 ZINC000000063901 567906667 /nfs/dbraw/zinc/90/66/67/567906667.db2.gz VPCPEZOMHMGEMP-UHFFFAOYSA-N 0 3 298.773 4.949 50 0 CJAAHN COc1cccc(Nc2cc(C)nc3c(C)cc(C)cc23)c1 ZINC000000071949 567817637 /nfs/dbraw/zinc/81/76/37/567817637.db2.gz ARSATGWELISZHH-UHFFFAOYSA-N 0 3 292.382 4.912 50 0 CJAAHN Cc1cc(C)c2nc(C)cc(Nc3cccc(O)c3)c2c1 ZINC000000071990 567907426 /nfs/dbraw/zinc/90/74/26/567907426.db2.gz SWNSBZANQIQZKU-UHFFFAOYSA-N 0 3 278.355 4.609 50 0 CJAAHN Cc1cc(C)c2nc(C)cc(Nc3ccc(O)cc3)c2c1 ZINC000000071992 567907482 /nfs/dbraw/zinc/90/74/82/567907482.db2.gz DQKNENUMBQTIOE-UHFFFAOYSA-N 0 3 278.355 4.609 50 0 CJAAHN COc1ccc(Nc2cc(C)nc3ccc(C)cc32)cc1 ZINC000000077005 567817513 /nfs/dbraw/zinc/81/75/13/567817513.db2.gz DBSZUKKHWWCDKR-UHFFFAOYSA-N 0 3 278.355 4.604 50 0 CJAAHN CC(=O)c1cccc(Nc2cc(C)nc3ccc(C)cc32)c1 ZINC000000077012 567907365 /nfs/dbraw/zinc/90/73/65/567907365.db2.gz CJJQRRYKQAEAFP-UHFFFAOYSA-N 0 3 290.366 4.798 50 0 CJAAHN Cc1cc(Nc2ccc(N(C)C)cc2)c2cccc(C)c2n1 ZINC000000085178 567817835 /nfs/dbraw/zinc/81/78/35/567817835.db2.gz XJQPEPORJGIEBU-UHFFFAOYSA-N 0 3 291.398 4.661 50 0 CJAAHN Cc1cccc(Nc2c3c(nc4ccccc42)CCC3)c1 ZINC000000122814 567923499 /nfs/dbraw/zinc/92/34/99/567923499.db2.gz FNEZJMQBSHKMIA-UHFFFAOYSA-N 0 3 274.367 4.776 50 0 CJAAHN Cc1ccc(Nc2c3c(nc4ccccc42)CCC3)cc1 ZINC000000122819 567819006 /nfs/dbraw/zinc/81/90/06/567819006.db2.gz NAUVDUAFMRTQQN-UHFFFAOYSA-N 0 3 274.367 4.776 50 0 CJAAHN Cc1c2ccccc2sc1CN1CCc2ccccc2C1 ZINC000000153850 567820330 /nfs/dbraw/zinc/82/03/30/567820330.db2.gz QTYBGUQJNPTWBX-UHFFFAOYSA-N 0 3 293.435 4.768 50 0 CJAAHN Cc1cccc2c3c(c(C)nc12)CCN3c1ccccc1F ZINC000000158999 567820758 /nfs/dbraw/zinc/82/07/58/567820758.db2.gz MYUVOPXZMCGDAD-UHFFFAOYSA-N 0 3 292.357 4.685 50 0 CJAAHN Cc1ccc2nc(C)c3c(c2c1)N(c1ccc(F)cc1)CC3 ZINC000000159008 567820866 /nfs/dbraw/zinc/82/08/66/567820866.db2.gz LLFXNQZAIBQTEX-UHFFFAOYSA-N 0 3 292.357 4.685 50 0 CJAAHN Cc1ccc2nc(C)c3c(c2c1)N(c1ccccc1)CC3 ZINC000000159415 567820686 /nfs/dbraw/zinc/82/06/86/567820686.db2.gz CBCFXXYRVWKHQC-UHFFFAOYSA-N 0 3 274.367 4.546 50 0 CJAAHN COc1ccc(Nc2cc(C)nc3c(C)c(C)ccc23)cc1 ZINC000000183381 567821757 /nfs/dbraw/zinc/82/17/57/567821757.db2.gz FMXISSIFOFZJOV-UHFFFAOYSA-N 0 3 292.382 4.912 50 0 CJAAHN CCC1CCC(c2ccc(C(=O)CCN(C)C)cc2)CC1 ZINC000000184324 567929942 /nfs/dbraw/zinc/92/99/42/567929942.db2.gz CFRXWVFEBZXNCO-UHFFFAOYSA-N 0 3 287.447 4.505 50 0 CJAAHN C[C@H]1CCc2ccccc2N1C(=N)Nc1ccc(Cl)cc1 ZINC000000216151 136391774 /nfs/dbraw/zinc/39/17/74/136391774.db2.gz STQOBPBTROMBRQ-LBPRGKRZSA-N 0 3 299.805 4.528 50 0 CJAAHN C[C@@H]1CCc2ccccc2N1C(=N)Nc1ccc(Cl)cc1 ZINC000000216154 136391645 /nfs/dbraw/zinc/39/16/45/136391645.db2.gz STQOBPBTROMBRQ-GFCCVEGCSA-N 0 3 299.805 4.528 50 0 CJAAHN Clc1ccc2scc(CN3CCCCC3)c2c1 ZINC000000338791 567825552 /nfs/dbraw/zinc/82/55/52/567825552.db2.gz AVUJQDWGFOVYCY-UHFFFAOYSA-N 0 3 265.809 4.541 50 0 CJAAHN CN(C)[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000346384 567825907 /nfs/dbraw/zinc/82/59/07/567825907.db2.gz HDUOZQKCGGNGTD-AWEZNQCLSA-N 0 3 289.831 4.650 50 0 CJAAHN CN(C)[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000346385 567825949 /nfs/dbraw/zinc/82/59/49/567825949.db2.gz HDUOZQKCGGNGTD-CQSZACIVSA-N 0 3 289.831 4.650 50 0 CJAAHN CN(C)Cc1cccc(Sc2ccccc2Cl)c1 ZINC000000346553 567825847 /nfs/dbraw/zinc/82/58/47/567825847.db2.gz LRJYCOXCGLJCLI-UHFFFAOYSA-N 0 3 277.820 4.553 50 0 CJAAHN CN(C)Cc1ccc(Sc2ccccc2Cl)cc1 ZINC000000346569 567825843 /nfs/dbraw/zinc/82/58/43/567825843.db2.gz SQNHNCOJDFEKJL-UHFFFAOYSA-N 0 3 277.820 4.553 50 0 CJAAHN CNCc1ccccc1Sc1cccc2ccccc21 ZINC000000346644 567927073 /nfs/dbraw/zinc/92/70/73/567927073.db2.gz OHDXDNUPVVYWOV-UHFFFAOYSA-N 0 3 279.408 4.710 50 0 CJAAHN CN(C)Cc1cccc(Sc2ccc(Cl)cc2)c1 ZINC000000346646 567825869 /nfs/dbraw/zinc/82/58/69/567825869.db2.gz DECPXWOQZCMYMS-UHFFFAOYSA-N 0 3 277.820 4.553 50 0 CJAAHN CN(C)Cc1ccc(Sc2cccc(Cl)c2)cc1 ZINC000000346647 567826075 /nfs/dbraw/zinc/82/60/75/567826075.db2.gz DQOHSEZYXSACCG-UHFFFAOYSA-N 0 3 277.820 4.553 50 0 CJAAHN CN(C)CC[C@@H]1Sc2ccccc2Oc2ccccc21 ZINC000000347767 567826461 /nfs/dbraw/zinc/82/64/61/567826461.db2.gz UAFVYCBWJBEHFW-INIZCTEOSA-N 0 3 285.412 4.577 50 0 CJAAHN CN(C)CC[C@H]1Sc2ccccc2Oc2ccccc21 ZINC000000347769 169613612 /nfs/dbraw/zinc/61/36/12/169613612.db2.gz UAFVYCBWJBEHFW-MRXNPFEDSA-N 0 3 285.412 4.577 50 0 CJAAHN CCN(CC)Cc1ccccc1Sc1ccccc1 ZINC000000347783 567826124 /nfs/dbraw/zinc/82/61/24/567826124.db2.gz LWRSLWDTFYXZRF-UHFFFAOYSA-N 0 3 271.429 4.680 50 0 CJAAHN Cc1cc(C)c2nc(C)cc(Nc3ccccc3)c2c1 ZINC000000348401 567826425 /nfs/dbraw/zinc/82/64/25/567826425.db2.gz JOCSYPLYUWUKFZ-UHFFFAOYSA-N 0 3 262.356 4.904 50 0 CJAAHN COc1ccccc1Nc1cc(C)nc2c(C)c(C)ccc12 ZINC000000348408 567826386 /nfs/dbraw/zinc/82/63/86/567826386.db2.gz UWEMABQMYHOLJA-UHFFFAOYSA-N 0 3 292.382 4.912 50 0 CJAAHN CC(C)N(C(C)C)P(OC(C)(C)C)OC(C)(C)C ZINC000000388503 560178011 /nfs/dbraw/zinc/17/80/11/560178011.db2.gz YGFLCNPXEPDANQ-UHFFFAOYSA-N 0 3 277.389 4.962 50 0 in-vitro CJAAHN Cc1ccc2nc3c(c(Nc4ccccc4)c2c1)CCC3 ZINC000000547228 567943051 /nfs/dbraw/zinc/94/30/51/567943051.db2.gz XFFWMGGFUDFFHD-UHFFFAOYSA-N 0 3 274.367 4.776 50 0 CJAAHN CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1 ZINC000000968264 567835252 /nfs/dbraw/zinc/83/52/52/567835252.db2.gz JJCFRYNCJDLXIK-UHFFFAOYSA-N 0 3 287.406 4.698 50 0 fda CJAAHN Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccccc1 ZINC000000978654 567835465 /nfs/dbraw/zinc/83/54/65/567835465.db2.gz QFDFWFMCDCUQNX-IBGZPJMESA-N 0 3 290.410 4.644 50 0 CJAAHN Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCc1ccccc1 ZINC000000978655 567835355 /nfs/dbraw/zinc/83/53/55/567835355.db2.gz QFDFWFMCDCUQNX-LJQANCHMSA-N 0 3 290.410 4.644 50 0 CJAAHN Clc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000001227465 567937083 /nfs/dbraw/zinc/93/70/83/567937083.db2.gz PFUGFBVKYUAACM-UHFFFAOYSA-N 0 3 299.845 4.795 50 0 CJAAHN c1cc(C2CCCCC2)cc2c3c4n(c12)CCN[C@H]4CCC3 ZINC000001248847 567836957 /nfs/dbraw/zinc/83/69/57/567836957.db2.gz AUXCHYJDVJZEPG-SFHVURJKSA-N 0 3 294.442 4.670 50 0 in-vitro CJAAHN c1cc(C2CCCCC2)cc2c3c4n(c12)CCN[C@@H]4CCC3 ZINC000001248848 567836805 /nfs/dbraw/zinc/83/68/05/567836805.db2.gz AUXCHYJDVJZEPG-GOSISDBHSA-N 0 3 294.442 4.670 50 0 in-vitro CJAAHN CCC[C@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCCN2C1 ZINC000001280204 566861132 /nfs/dbraw/zinc/86/11/32/566861132.db2.gz OWJXGLSBEBNLMI-YWZLYKJASA-N 0 3 296.458 4.841 50 0 CJAAHN CCC[C@@H]1CCCN2CCCc3c4ccccc4[nH]c3[C@@]12C ZINC000001280279 566859264 /nfs/dbraw/zinc/85/92/64/566859264.db2.gz HFTKZFPMMURMOX-FOIQADDNSA-N 0 3 296.458 4.841 50 0 CJAAHN CN(C/C=C/c1ccccc1)Cc1cccc2ccccc21 ZINC000001530977 567837757 /nfs/dbraw/zinc/83/77/57/567837757.db2.gz OZGNYLLQHRPOBR-DHZHZOJOSA-N 0 3 287.406 4.985 50 0 fda CJAAHN CN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000001691249 567841643 /nfs/dbraw/zinc/84/16/43/567841643.db2.gz QPCPLFFZEHXWIJ-UHFFFAOYSA-N 0 3 280.198 4.625 50 0 CJAAHN CCCCCCNc1cc(C)nc2ccc(OC)cc21 ZINC000001733852 567842895 /nfs/dbraw/zinc/84/28/95/567842895.db2.gz QSNJXMYTJUCIAC-UHFFFAOYSA-N 0 3 272.392 4.544 50 0 CJAAHN CC(C)c1cccc(C(C)C)c1OCCN1CCCCC1 ZINC000001734066 567887659 /nfs/dbraw/zinc/88/76/59/567887659.db2.gz JXRCXOADQWXMFO-UHFFFAOYSA-N 0 3 289.463 4.798 50 0 CJAAHN CCC[C@H]1CCCN2CCCc3c4ccccc4[nH]c3[C@@]12C ZINC000002132967 566847522 /nfs/dbraw/zinc/84/75/22/566847522.db2.gz HFTKZFPMMURMOX-MGPUTAFESA-N 0 3 296.458 4.841 50 0 CJAAHN Fc1cccc(Nc2c3c(nc4ccccc42)CCC3)c1 ZINC000002493937 169795014 /nfs/dbraw/zinc/79/50/14/169795014.db2.gz MUJCQGFFHCARCQ-UHFFFAOYSA-N 0 3 278.330 4.606 50 0 CJAAHN CN(C)Cc1cccc(Sc2cccc(Cl)c2)c1 ZINC000002526692 567847720 /nfs/dbraw/zinc/84/77/20/567847720.db2.gz ZGOKDMHLJWXQNB-UHFFFAOYSA-N 0 3 277.820 4.553 50 0 CJAAHN C[C@@H](NCc1ccccc1)c1cccc2ccccc21 ZINC000002558699 567931976 /nfs/dbraw/zinc/93/19/76/567931976.db2.gz GOOYPHDQKHMZHR-OAHLLOKOSA-N 0 3 261.368 4.691 50 0 CJAAHN C[C@H](NCc1ccccc1)c1cccc2ccccc21 ZINC000002558700 567848154 /nfs/dbraw/zinc/84/81/54/567848154.db2.gz GOOYPHDQKHMZHR-HNNXBMFYSA-N 0 3 261.368 4.691 50 0 CJAAHN C[C@@H](NCc1cccc2ccccc21)c1ccccc1 ZINC000002565403 567848138 /nfs/dbraw/zinc/84/81/38/567848138.db2.gz ZHBRSTZUNUZOJO-OAHLLOKOSA-N 0 3 261.368 4.691 50 0 CJAAHN Cc1cc(C)c(OCCCN(C)Cc2ccccc2)c(C)c1 ZINC000002821810 570371433 /nfs/dbraw/zinc/37/14/33/570371433.db2.gz YOPYARSDGIQNNC-UHFFFAOYSA-N 0 3 297.442 4.513 50 0 CJAAHN CC(C)c1cccc(OCCCN(C)Cc2ccccc2)c1 ZINC000002823239 567037364 /nfs/dbraw/zinc/03/73/64/567037364.db2.gz VIOXUYBKWWBCHN-UHFFFAOYSA-N 0 3 297.442 4.711 50 0 CJAAHN C[C@H](NCc1ccccc1OC1CCCC1)c1ccccc1 ZINC000002886554 570333782 /nfs/dbraw/zinc/33/37/82/570333782.db2.gz QHUGSTKYAFIEFY-INIZCTEOSA-N 0 3 295.426 4.859 50 0 CJAAHN C[C@@H](NCc1ccccc1OC1CCCC1)c1ccccc1 ZINC000002886555 570333606 /nfs/dbraw/zinc/33/36/06/570333606.db2.gz QHUGSTKYAFIEFY-MRXNPFEDSA-N 0 3 295.426 4.859 50 0 CJAAHN C(CN1CCCCC1)=C(c1ccccc1)c1ccccc1 ZINC000003626043 570328070 /nfs/dbraw/zinc/32/80/70/570328070.db2.gz MOCURCBRVYTAME-UHFFFAOYSA-N 0 3 277.411 4.604 50 0 CJAAHN CCC[C@@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCCN2C1 ZINC000004028666 567184800 /nfs/dbraw/zinc/18/48/00/567184800.db2.gz OWJXGLSBEBNLMI-FOIQADDNSA-N 0 3 296.458 4.841 50 0 CJAAHN CCC[C@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCCN2C1 ZINC000004028667 567184127 /nfs/dbraw/zinc/18/41/27/567184127.db2.gz OWJXGLSBEBNLMI-MGPUTAFESA-N 0 3 296.458 4.841 50 0 CJAAHN CCC[C@@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCCN2C1 ZINC000004028668 567184149 /nfs/dbraw/zinc/18/41/49/567184149.db2.gz OWJXGLSBEBNLMI-QRWLVFNGSA-N 0 3 296.458 4.841 50 0 CJAAHN Clc1ccc(CN2CCC(c3ccccc3)CC2)cc1 ZINC000004105948 567187466 /nfs/dbraw/zinc/18/74/66/567187466.db2.gz DHOGBBPTQYJAQA-UHFFFAOYSA-N 0 3 285.818 4.720 50 0 CJAAHN CN(C)Cc1ccccc1Sc1ccc2c(c1)CCCC2 ZINC000004128444 567186066 /nfs/dbraw/zinc/18/60/66/567186066.db2.gz DVLUMXSRCRLLMQ-UHFFFAOYSA-N 0 3 297.467 4.778 50 0 CJAAHN Cc1ccc(Nc2c3c(nc4ccccc42)CCC3)cc1F ZINC000004192756 567189127 /nfs/dbraw/zinc/18/91/27/567189127.db2.gz CEJLMNNTBNWRGK-UHFFFAOYSA-N 0 3 292.357 4.915 50 0 CJAAHN C[C@H](NCc1ccccc1)c1ccc2ccccc2c1 ZINC000004240729 567193097 /nfs/dbraw/zinc/19/30/97/567193097.db2.gz KKEGSDYZJIGUIY-HNNXBMFYSA-N 0 3 261.368 4.691 50 0 CJAAHN C[C@@H](NCc1ccccc1)c1ccc2ccccc2c1 ZINC000004240730 567192324 /nfs/dbraw/zinc/19/23/24/567192324.db2.gz KKEGSDYZJIGUIY-OAHLLOKOSA-N 0 3 261.368 4.691 50 0 CJAAHN CC(C)c1ccc(CN[C@@H](C)c2ccccc2)cc1 ZINC000004267247 567856756 /nfs/dbraw/zinc/85/67/56/567856756.db2.gz QSEFPIINCQMDAV-HNNXBMFYSA-N 0 3 253.389 4.661 50 0 CJAAHN CC(C)c1ccc(CN[C@H](C)c2ccccc2)cc1 ZINC000004267249 567856575 /nfs/dbraw/zinc/85/65/75/567856575.db2.gz QSEFPIINCQMDAV-OAHLLOKOSA-N 0 3 253.389 4.661 50 0 CJAAHN C[C@H](NCc1cccc2ccccc21)c1ccccc1 ZINC000004269363 169951468 /nfs/dbraw/zinc/95/14/68/169951468.db2.gz ZHBRSTZUNUZOJO-HNNXBMFYSA-N 0 3 261.368 4.691 50 0 CJAAHN Cc1cc(C)c2nc(C)cc(NCCc3ccccc3)c2c1 ZINC000004340615 567863359 /nfs/dbraw/zinc/86/33/59/567863359.db2.gz DGQMTJNMBABPQS-UHFFFAOYSA-N 0 3 290.410 4.815 50 0 CJAAHN CCOc1ccc2ccccc2c1CNCc1cccs1 ZINC000004488537 567857593 /nfs/dbraw/zinc/85/75/93/567857593.db2.gz CEFHJFXCRGCSRF-UHFFFAOYSA-N 0 3 297.423 4.590 50 0 CJAAHN CCCCN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000004600011 570235389 /nfs/dbraw/zinc/23/53/89/570235389.db2.gz ADEFHLXMIVLHGT-UHFFFAOYSA-N 0 3 271.379 4.628 50 0 CJAAHN CCCCN(Cc1ccccc1)Cc1ccccc1F ZINC000004615060 567894057 /nfs/dbraw/zinc/89/40/57/567894057.db2.gz VRCWKJQOKDGBEQ-UHFFFAOYSA-N 0 3 271.379 4.628 50 0 CJAAHN c1ccc(CNCc2ccc(-c3ccccc3)cc2)cc1 ZINC000004656781 567858648 /nfs/dbraw/zinc/85/86/48/567858648.db2.gz 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CJAAHN COc1ccc([C@H]2CCCN2Cc2ccc(C)c(C)c2)cc1 ZINC000015836884 570344122 /nfs/dbraw/zinc/34/41/22/570344122.db2.gz ZZRQJBZWQHSIAC-HXUWFJFHSA-N 0 3 295.426 4.649 50 0 CJAAHN CCc1ccc(CN2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015837019 570343812 /nfs/dbraw/zinc/34/38/12/570343812.db2.gz IVSBBDJVEVVSBT-HXUWFJFHSA-N 0 3 295.426 4.595 50 0 CJAAHN CCc1ccc(CN2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000015837022 570343955 /nfs/dbraw/zinc/34/39/55/570343955.db2.gz IVSBBDJVEVVSBT-FQEVSTJZSA-N 0 3 295.426 4.595 50 0 CJAAHN Cc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1C ZINC000015837101 570344140 /nfs/dbraw/zinc/34/41/40/570344140.db2.gz JGCYZQRSGLBNQI-LJQANCHMSA-N 0 3 283.390 4.780 50 0 CJAAHN Cc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1C ZINC000015837105 570343781 /nfs/dbraw/zinc/34/37/81/570343781.db2.gz JGCYZQRSGLBNQI-IBGZPJMESA-N 0 3 283.390 4.780 50 0 CJAAHN Cc1ccc(C)c(CN2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000015837119 570344437 /nfs/dbraw/zinc/34/44/37/570344437.db2.gz ONQPMYRYOHQWPO-LJQANCHMSA-N 0 3 283.390 4.780 50 0 CJAAHN Cc1ccc(C)c(CN2CCC[C@H]2c2cccc(F)c2)c1 ZINC000015837123 570344398 /nfs/dbraw/zinc/34/43/98/570344398.db2.gz ONQPMYRYOHQWPO-IBGZPJMESA-N 0 3 283.390 4.780 50 0 CJAAHN CCc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000015837277 566921680 /nfs/dbraw/zinc/92/16/80/566921680.db2.gz KFDSFTHNSPKKKD-LJQANCHMSA-N 0 3 283.390 4.725 50 0 CJAAHN CCc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000015837280 566921103 /nfs/dbraw/zinc/92/11/03/566921103.db2.gz KFDSFTHNSPKKKD-IBGZPJMESA-N 0 3 283.390 4.725 50 0 CJAAHN Cc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1C ZINC000015837329 566921824 /nfs/dbraw/zinc/92/18/24/566921824.db2.gz OZFCWQONMWFVGY-LJQANCHMSA-N 0 3 283.390 4.780 50 0 CJAAHN Cc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1C ZINC000015837332 566921892 /nfs/dbraw/zinc/92/18/92/566921892.db2.gz OZFCWQONMWFVGY-IBGZPJMESA-N 0 3 283.390 4.780 50 0 CJAAHN Cc1ccc(C)c(CN2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000015837348 566921801 /nfs/dbraw/zinc/92/18/01/566921801.db2.gz FZGAAQHVLVSVNF-LJQANCHMSA-N 0 3 283.390 4.780 50 0 CJAAHN Cc1ccc(C)c(CN2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000015837351 170680036 /nfs/dbraw/zinc/68/00/36/170680036.db2.gz FZGAAQHVLVSVNF-IBGZPJMESA-N 0 3 283.390 4.780 50 0 CJAAHN Cc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000015837362 566921235 /nfs/dbraw/zinc/92/12/35/566921235.db2.gz VFOVJPHIPKEONG-LJQANCHMSA-N 0 3 283.390 4.780 50 0 CJAAHN Cc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000015837365 566921627 /nfs/dbraw/zinc/92/16/27/566921627.db2.gz VFOVJPHIPKEONG-IBGZPJMESA-N 0 3 283.390 4.780 50 0 CJAAHN CCc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837457 566921525 /nfs/dbraw/zinc/92/15/25/566921525.db2.gz OJBYKRJXRGPVNO-LJQANCHMSA-N 0 3 283.390 4.725 50 0 CJAAHN CCc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000015837460 566921668 /nfs/dbraw/zinc/92/16/68/566921668.db2.gz OJBYKRJXRGPVNO-IBGZPJMESA-N 0 3 283.390 4.725 50 0 CJAAHN CCOc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837462 566921606 /nfs/dbraw/zinc/92/16/06/566921606.db2.gz LNELDCVZELDSMB-LJQANCHMSA-N 0 3 299.389 4.562 50 0 CJAAHN CCOc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000015837465 566921347 /nfs/dbraw/zinc/92/13/47/566921347.db2.gz LNELDCVZELDSMB-IBGZPJMESA-N 0 3 299.389 4.562 50 0 CJAAHN Clc1cccc(Cl)c1CNC1CCCCCC1 ZINC000016383693 567872538 /nfs/dbraw/zinc/87/25/38/567872538.db2.gz ANERVKYNMVOSCC-UHFFFAOYSA-N 0 3 272.219 4.806 50 0 CJAAHN Fc1ccc(CNCc2ccc(-c3ccccc3)cc2)cc1 ZINC000016493159 567944493 /nfs/dbraw/zinc/94/44/93/567944493.db2.gz YCHBPCPFQGMEFG-UHFFFAOYSA-N 0 3 291.369 4.783 50 0 CJAAHN Cc1ccc2nc(C)cc(NC3CCCCC3)c2c1 ZINC000016740170 570367365 /nfs/dbraw/zinc/36/73/65/570367365.db2.gz NTXBUDIDDDGBMK-UHFFFAOYSA-N 0 3 254.377 4.596 50 0 CJAAHN CCCCN(CCCC)CN(CCCC)CCCC ZINC000019325121 567877486 /nfs/dbraw/zinc/87/74/86/567877486.db2.gz XHQHCZJKIMGMBY-UHFFFAOYSA-N 0 3 270.505 4.748 50 0 CJAAHN CC(C)COc1cccc(CN[C@@H](C)c2ccccc2)c1 ZINC000019737868 567878707 /nfs/dbraw/zinc/87/87/07/567878707.db2.gz DSOPMSXNCUKBAA-INIZCTEOSA-N 0 3 283.415 4.572 50 0 CJAAHN CC(C)COc1cccc(CN[C@H](C)c2ccccc2)c1 ZINC000019737869 567878931 /nfs/dbraw/zinc/87/89/31/567878931.db2.gz DSOPMSXNCUKBAA-MRXNPFEDSA-N 0 3 283.415 4.572 50 0 CJAAHN c1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000019878674 567944626 /nfs/dbraw/zinc/94/46/26/567944626.db2.gz LUPHIKYFQYDIDI-NRFANRHFSA-N 0 3 287.406 4.760 50 0 CJAAHN c1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000019878676 567945015 /nfs/dbraw/zinc/94/50/15/567945015.db2.gz LUPHIKYFQYDIDI-OAQYLSRUSA-N 0 3 287.406 4.760 50 0 CJAAHN CC[C@@H](NCc1ccccc1)c1cccc(Cl)c1 ZINC000019899513 567944947 /nfs/dbraw/zinc/94/49/47/567944947.db2.gz OWMYHTIYCAMWHX-MRXNPFEDSA-N 0 3 259.780 4.581 50 0 CJAAHN CC[C@H](NCc1ccccc1)c1cccc(Cl)c1 ZINC000019899514 567945034 /nfs/dbraw/zinc/94/50/34/567945034.db2.gz OWMYHTIYCAMWHX-INIZCTEOSA-N 0 3 259.780 4.581 50 0 CJAAHN CC(C)C[C@@H](NCc1ccccc1)c1ccccc1 ZINC000019899556 567945065 /nfs/dbraw/zinc/94/50/65/567945065.db2.gz NZGCWDDZVYSCMS-GOSISDBHSA-N 0 3 253.389 4.564 50 0 CJAAHN CC(C)C[C@H](NCc1ccccc1)c1ccccc1 ZINC000019899557 567945103 /nfs/dbraw/zinc/94/51/03/567945103.db2.gz NZGCWDDZVYSCMS-SFHVURJKSA-N 0 3 253.389 4.564 50 0 CJAAHN C[C@@H](NCc1ccccc1F)c1cccc2ccccc21 ZINC000019949861 567945097 /nfs/dbraw/zinc/94/50/97/567945097.db2.gz DKYSJYICIWWOLG-CQSZACIVSA-N 0 3 279.358 4.830 50 0 CJAAHN C[C@H](NCc1ccccc1F)c1cccc2ccccc21 ZINC000019949865 567945021 /nfs/dbraw/zinc/94/50/21/567945021.db2.gz DKYSJYICIWWOLG-AWEZNQCLSA-N 0 3 279.358 4.830 50 0 CJAAHN Fc1cccc(Cl)c1CNC12CC3CC(CC(C3)C1)C2 ZINC000020001381 570290524 /nfs/dbraw/zinc/29/05/24/570290524.db2.gz WPMBIVQOVXQNBN-UHFFFAOYSA-N 0 3 293.813 4.538 50 0 CJAAHN C[C@@H](N[C@@H](C)c1cccc2ccccc21)c1ccccn1 ZINC000020136853 171024568 /nfs/dbraw/zinc/02/45/68/171024568.db2.gz QUNIFKGONZEGCM-LSDHHAIUSA-N 0 3 276.383 4.647 50 0 CJAAHN C[C@H](N[C@@H](C)c1cccc2ccccc21)c1ccccn1 ZINC000020136857 171024684 /nfs/dbraw/zinc/02/46/84/171024684.db2.gz QUNIFKGONZEGCM-GJZGRUSLSA-N 0 3 276.383 4.647 50 0 CJAAHN C[C@@H](N[C@H](C)c1cccc2ccccc21)c1ccccn1 ZINC000020136860 171024381 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ZINC000020305557 171142239 /nfs/dbraw/zinc/14/22/39/171142239.db2.gz HQSQSWMNDFSVKL-AWEZNQCLSA-N 0 3 279.358 4.830 50 0 CJAAHN N=C(Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 ZINC000020384770 171175396 /nfs/dbraw/zinc/17/53/96/171175396.db2.gz VFFZITYEDZLZRB-UHFFFAOYSA-N 0 3 298.695 4.796 50 0 CJAAHN CCCCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000020876026 171277147 /nfs/dbraw/zinc/27/71/47/171277147.db2.gz WEDZVRPAWXDMPA-UHFFFAOYSA-N 0 3 277.795 4.880 50 0 CJAAHN Cc1ccc(-c2ccc(CNC(C)(C)C)o2)cc1Cl ZINC000020876548 171277887 /nfs/dbraw/zinc/27/78/87/171277887.db2.gz DTKUFWNUDBYYMZ-UHFFFAOYSA-N 0 3 277.795 4.797 50 0 CJAAHN CCCCNCc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020876567 171277634 /nfs/dbraw/zinc/27/76/34/171277634.db2.gz WZGWLDBOHTVGPV-UHFFFAOYSA-N 0 3 277.795 4.798 50 0 CJAAHN CCCCCCNCc1cc(Cl)ccc1OCCC ZINC000020928834 171280371 /nfs/dbraw/zinc/28/03/71/171280371.db2.gz AIIQMDLARRCFBZ-UHFFFAOYSA-N 0 3 283.843 4.799 50 0 CJAAHN CCCOc1c(Cl)cc(Cl)cc1CNC(C)(C)C ZINC000020929999 171281175 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DTZBWUVGBVQCHG-LBPRGKRZSA-N 0 3 279.305 4.556 50 0 CJAAHN C[C@@H](NCc1ccccc1C(F)(F)F)c1ccccc1 ZINC000035548351 172257022 /nfs/dbraw/zinc/25/70/22/172257022.db2.gz DTZBWUVGBVQCHG-GFCCVEGCSA-N 0 3 279.305 4.556 50 0 CJAAHN CNCc1ccccc1Oc1cc(Cl)cc(Cl)c1 ZINC000036814568 567889613 /nfs/dbraw/zinc/88/96/13/567889613.db2.gz QRFDCLWTIGDTKG-UHFFFAOYSA-N 0 3 282.170 4.505 50 0 CJAAHN CC[C@H](NCc1ccc(C)s1)c1cccc(Cl)c1 ZINC000036921222 567007827 /nfs/dbraw/zinc/00/78/27/567007827.db2.gz RMESWUVZGIPAGJ-HNNXBMFYSA-N 0 3 279.836 4.951 50 0 CJAAHN CC[C@@H](NCc1ccc(C)s1)c1cccc(Cl)c1 ZINC000036921223 567008185 /nfs/dbraw/zinc/00/81/85/567008185.db2.gz RMESWUVZGIPAGJ-OAHLLOKOSA-N 0 3 279.836 4.951 50 0 CJAAHN C[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1F ZINC000037099851 570362477 /nfs/dbraw/zinc/36/24/77/570362477.db2.gz IWZXPKQXHJOJOA-VHRBIJSZSA-N 0 3 289.316 4.597 50 0 CJAAHN C[C@H](N[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1F ZINC000037099853 570362606 /nfs/dbraw/zinc/36/26/06/570362606.db2.gz IWZXPKQXHJOJOA-JKOKRWQUSA-N 0 3 289.316 4.597 50 0 CJAAHN CCc1ccc([C@@H](C)N[C@@H](C)c2cccc(OC)c2)cc1 ZINC000037508153 173242667 /nfs/dbraw/zinc/24/26/67/173242667.db2.gz FOAADCHFMZCXGB-CABCVRRESA-N 0 3 283.415 4.669 50 0 CJAAHN CCc1ccc([C@H](C)N[C@@H](C)c2cccc(OC)c2)cc1 ZINC000037508154 173242426 /nfs/dbraw/zinc/24/24/26/173242426.db2.gz FOAADCHFMZCXGB-GJZGRUSLSA-N 0 3 283.415 4.669 50 0 CJAAHN CCc1ccc([C@@H](C)N[C@H](C)c2cccc(OC)c2)cc1 ZINC000037508155 173242627 /nfs/dbraw/zinc/24/26/27/173242627.db2.gz FOAADCHFMZCXGB-HUUCEWRRSA-N 0 3 283.415 4.669 50 0 CJAAHN CCc1ccc([C@H](C)N[C@H](C)c2cccc(OC)c2)cc1 ZINC000037508156 173242687 /nfs/dbraw/zinc/24/26/87/173242687.db2.gz FOAADCHFMZCXGB-LSDHHAIUSA-N 0 3 283.415 4.669 50 0 CJAAHN COc1cccc([C@H](C)N[C@H](c2ccccc2)C(C)C)c1 ZINC000037508208 173243028 /nfs/dbraw/zinc/24/30/28/173243028.db2.gz RPHZNDPOGGRXHY-KXBFYZLASA-N 0 3 283.415 4.743 50 0 CJAAHN COc1cccc([C@H](C)N[C@@H](c2ccccc2)C(C)C)c1 ZINC000037508209 173242585 /nfs/dbraw/zinc/24/25/85/173242585.db2.gz RPHZNDPOGGRXHY-HNAYVOBHSA-N 0 3 283.415 4.743 50 0 CJAAHN COc1cccc([C@@H](C)N[C@H](c2ccccc2)C(C)C)c1 ZINC000037508210 173242451 /nfs/dbraw/zinc/24/24/51/173242451.db2.gz RPHZNDPOGGRXHY-BEFAXECRSA-N 0 3 283.415 4.743 50 0 CJAAHN COc1cccc([C@@H](C)N[C@@H](c2ccccc2)C(C)C)c1 ZINC000037508211 173242530 /nfs/dbraw/zinc/24/25/30/173242530.db2.gz RPHZNDPOGGRXHY-DNVCBOLYSA-N 0 3 283.415 4.743 50 0 CJAAHN c1c2ccccc2sc1-c1cncc(CN2CCCC2)c1 ZINC000037553841 567068278 /nfs/dbraw/zinc/06/82/78/567068278.db2.gz FOJXNUJGZVPQKN-UHFFFAOYSA-N 0 3 294.423 4.559 50 0 CJAAHN Cc1cc(C)cc(-c2cncc(CN3CCC(C)CC3)c2)c1 ZINC000037553902 567928098 /nfs/dbraw/zinc/92/80/98/567928098.db2.gz PDHZDFAIBMCOOZ-UHFFFAOYSA-N 0 3 294.442 4.597 50 0 CJAAHN CCN(C)Cc1cncc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000037554040 567068243 /nfs/dbraw/zinc/06/82/43/567068243.db2.gz GOMRLSXJQWRCKW-UHFFFAOYSA-N 0 3 295.213 4.507 50 0 CJAAHN COc1cccc([C@H](C)NCc2ccc(C(C)C)cc2)c1 ZINC000037771310 567950923 /nfs/dbraw/zinc/95/09/23/567950923.db2.gz FBHMLJYDOIIUSW-HNNXBMFYSA-N 0 3 283.415 4.669 50 0 CJAAHN CNCc1ccccc1Oc1ccc(Cl)c(Cl)c1 ZINC000038001535 567882513 /nfs/dbraw/zinc/88/25/13/567882513.db2.gz CPHHHCKJXRNBLC-UHFFFAOYSA-N 0 3 282.170 4.505 50 0 CJAAHN C[C@H](NCc1ccc(-c2ccccc2)cc1)c1ccncc1 ZINC000039976532 174181090 /nfs/dbraw/zinc/18/10/90/174181090.db2.gz PYDNBDQUAKKXAX-INIZCTEOSA-N 0 3 288.394 4.599 50 0 CJAAHN C[C@@H](NCc1ccc(-c2ccccc2)cc1)c1ccncc1 ZINC000039976533 174181021 /nfs/dbraw/zinc/18/10/21/174181021.db2.gz PYDNBDQUAKKXAX-MRXNPFEDSA-N 0 3 288.394 4.599 50 0 CJAAHN Cc1oc(-c2cccs2)nc1CN(CC(C)C)C(C)C ZINC000040072632 174186922 /nfs/dbraw/zinc/18/69/22/174186922.db2.gz FOOMBARJIWOXIB-UHFFFAOYSA-N 0 3 292.448 4.578 50 0 CJAAHN CNCc1ccc(Cl)cc1Oc1ccc(Cl)cc1 ZINC000040391284 174252475 /nfs/dbraw/zinc/25/24/75/174252475.db2.gz LIXNFPLJNWIWDI-UHFFFAOYSA-N 0 3 282.170 4.505 50 0 CJAAHN CC(C)Oc1c(Cl)cc(Cl)cc1CNC(C)(C)C ZINC000040729751 174388235 /nfs/dbraw/zinc/38/82/35/174388235.db2.gz DUSHNOSVEXBNRE-UHFFFAOYSA-N 0 3 290.234 4.669 50 0 CJAAHN CCCCNCc1cc(Cl)cc(Cl)c1OC(C)C ZINC000040729774 174388137 /nfs/dbraw/zinc/38/81/37/174388137.db2.gz DZRNZQOOXBWPAK-UHFFFAOYSA-N 0 3 290.234 4.670 50 0 CJAAHN CC(C)CNCc1cc(Cl)cc(Cl)c1OC(C)C ZINC000040729813 174388157 /nfs/dbraw/zinc/38/81/57/174388157.db2.gz MPSQNWNFUCMYOY-UHFFFAOYSA-N 0 3 290.234 4.526 50 0 CJAAHN CC[C@@H](C)NCc1cc(Cl)cc(Cl)c1OC(C)C ZINC000040729815 174388346 /nfs/dbraw/zinc/38/83/46/174388346.db2.gz DSSWOXNCWKHAQP-SNVBAGLBSA-N 0 3 290.234 4.669 50 0 CJAAHN CC[C@H](C)NCc1cc(Cl)cc(Cl)c1OC(C)C ZINC000040729818 174388117 /nfs/dbraw/zinc/38/81/17/174388117.db2.gz DSSWOXNCWKHAQP-JTQLQIEISA-N 0 3 290.234 4.669 50 0 CJAAHN CCCCCCNCc1cc(Cl)ccc1OC(C)C ZINC000040730339 567890962 /nfs/dbraw/zinc/89/09/62/567890962.db2.gz MFUGSUVBUTZTPG-UHFFFAOYSA-N 0 3 283.843 4.797 50 0 CJAAHN CNCc1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000040867065 567882432 /nfs/dbraw/zinc/88/24/32/567882432.db2.gz VUKSTBYHKMJOPK-UHFFFAOYSA-N 0 3 282.170 4.505 50 0 CJAAHN Cc1ccccc1C(=N)[C@@H](c1ccccc1)c1ccccn1 ZINC000044124592 175143681 /nfs/dbraw/zinc/14/36/81/175143681.db2.gz UBBLYCNVUPPHKO-IBGZPJMESA-N 0 3 286.378 4.590 50 0 CJAAHN Cc1ccccc1C(=N)[C@H](c1ccccc1)c1ccccn1 ZINC000044124596 175143584 /nfs/dbraw/zinc/14/35/84/175143584.db2.gz UBBLYCNVUPPHKO-LJQANCHMSA-N 0 3 286.378 4.590 50 0 CJAAHN C(=C(/c1ccccc1)N1CCCCC1)\c1ccccc1 ZINC000044125556 175143821 /nfs/dbraw/zinc/14/38/21/175143821.db2.gz DTGNHQQWMBBUMN-MNDPQUGUSA-N 0 3 263.384 4.671 50 0 CJAAHN CC(C)n1cc(CNCc2ccccc2)c2ccccc21 ZINC000045945081 175387392 /nfs/dbraw/zinc/38/73/92/175387392.db2.gz MFQTXXHNMMCYND-UHFFFAOYSA-N 0 3 278.399 4.512 50 0 CJAAHN CC(C)n1cc(CNCc2cccs2)c2ccccc21 ZINC000045945112 175387815 /nfs/dbraw/zinc/38/78/15/175387815.db2.gz PVIOEESEFUGZSS-UHFFFAOYSA-N 0 3 284.428 4.574 50 0 CJAAHN Cc1ccc(CN[C@@H]2CCCCc3ccccc32)s1 ZINC000050225150 567925538 /nfs/dbraw/zinc/92/55/38/567925538.db2.gz YKUTVGFQRPCAQD-QGZVFWFLSA-N 0 3 271.429 4.614 50 0 CJAAHN Cc1ccc(CN[C@H]2CCCCc3ccccc32)s1 ZINC000050225151 567925402 /nfs/dbraw/zinc/92/54/02/567925402.db2.gz YKUTVGFQRPCAQD-KRWDZBQOSA-N 0 3 271.429 4.614 50 0 CJAAHN c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000055387822 570243321 /nfs/dbraw/zinc/24/33/21/570243321.db2.gz MXHTZQSKTCCMFG-UHFFFAOYSA-N 0 3 287.406 4.889 50 0 CJAAHN CCC[C@H](NCc1cn(C)c2ccccc12)c1ccccc1 ZINC000057353190 567895071 /nfs/dbraw/zinc/89/50/71/567895071.db2.gz OTOFJPZJNYJTMA-IBGZPJMESA-N 0 3 292.426 4.809 50 0 CJAAHN CCC[C@@H](NCc1cn(C)c2ccccc12)c1ccccc1 ZINC000057353191 567894796 /nfs/dbraw/zinc/89/47/96/567894796.db2.gz OTOFJPZJNYJTMA-LJQANCHMSA-N 0 3 292.426 4.809 50 0 CJAAHN CC(C)n1cc(CNCc2ccc(F)cc2)c2ccccc21 ZINC000057353252 567894992 /nfs/dbraw/zinc/89/49/92/567894992.db2.gz IRHOHBPURPKTMX-UHFFFAOYSA-N 0 3 296.389 4.651 50 0 CJAAHN Cc1ccc(CNCc2cn(C(C)C)c3ccccc23)cc1 ZINC000057353257 567895090 /nfs/dbraw/zinc/89/50/90/567895090.db2.gz LLNSOAVONGEXPM-UHFFFAOYSA-N 0 3 292.426 4.820 50 0 CJAAHN CCCn1cc(CN[C@@H](C)c2ccccc2)c2ccccc21 ZINC000057353284 567895119 /nfs/dbraw/zinc/89/51/19/567895119.db2.gz VGODPXVMDRMXLI-INIZCTEOSA-N 0 3 292.426 4.902 50 0 CJAAHN CCCn1cc(CN[C@H](C)c2ccccc2)c2ccccc21 ZINC000057353286 567894914 /nfs/dbraw/zinc/89/49/14/567894914.db2.gz VGODPXVMDRMXLI-MRXNPFEDSA-N 0 3 292.426 4.902 50 0 CJAAHN CCCn1cc(CNCc2ccc(C)cc2)c2ccccc21 ZINC000057353292 567895111 /nfs/dbraw/zinc/89/51/11/567895111.db2.gz GBKUGYVQRKKIKJ-UHFFFAOYSA-N 0 3 292.426 4.650 50 0 CJAAHN c1c2ccccc2[nH]c1CNCc1ccc2ccccc2c1 ZINC000058474231 567895926 /nfs/dbraw/zinc/89/59/26/567895926.db2.gz DHXXGPBKAXHHLQ-UHFFFAOYSA-N 0 3 286.378 4.611 50 0 CJAAHN C(=C/c1ccccc1)\CN1CCC[C@H]1c1ccsc1 ZINC000058581699 567895784 /nfs/dbraw/zinc/89/57/84/567895784.db2.gz XAHNDOVCAUKUOA-AUNFYEFLSA-N 0 3 269.413 4.598 50 0 CJAAHN CN(Cn1c2ccccc2sc1=S)C1CCCCC1 ZINC000058583871 570400111 /nfs/dbraw/zinc/40/01/11/570400111.db2.gz VYEXMEFIROBGRM-UHFFFAOYSA-N 0 3 292.473 4.654 50 0 CJAAHN CC[C@@H]1CCCN(Cc2ccc(Cl)c3cccnc23)C1 ZINC000059403265 567896319 /nfs/dbraw/zinc/89/63/19/567896319.db2.gz OBASZRNAXGXBFF-CYBMUJFWSA-N 0 3 288.822 4.510 50 0 CJAAHN CC[C@H]1CCCN(Cc2ccc(Cl)c3cccnc23)C1 ZINC000059403266 567896248 /nfs/dbraw/zinc/89/62/48/567896248.db2.gz OBASZRNAXGXBFF-ZDUSSCGKSA-N 0 3 288.822 4.510 50 0 CJAAHN C[C@H]1CN(C2CCCCCCCCCCC2)C[C@H](C)O1 ZINC000059967554 567896795 /nfs/dbraw/zinc/89/67/95/567896795.db2.gz JMXKCYUTURMERF-IRXDYDNUSA-N 0 3 281.484 4.769 50 0 in-vitro CJAAHN C[C@@H]1CN(C2CCCCCCCCCCC2)C[C@@H](C)O1 ZINC000059967558 567896780 /nfs/dbraw/zinc/89/67/80/567896780.db2.gz JMXKCYUTURMERF-IAGOWNOFSA-N 0 3 281.484 4.769 50 0 in-vitro CJAAHN c1ccc(CNCc2ccc(Oc3ccccc3)cc2)cc1 ZINC000060806320 567907889 /nfs/dbraw/zinc/90/78/89/567907889.db2.gz JMEVSDHIPUYIAL-UHFFFAOYSA-N 0 3 289.378 4.769 50 0 CJAAHN Cc1ccc(CN2CCC[C@H]2c2cc(C(C)C)no2)c(C)c1 ZINC000064984433 570243631 /nfs/dbraw/zinc/24/36/31/570243631.db2.gz OWFUSBPFQKMIHR-SFHVURJKSA-N 0 3 298.430 4.752 50 0 CJAAHN CCCN(Cc1c(Cl)ccc2cccnc21)CC1CC1 ZINC000065431157 567007555 /nfs/dbraw/zinc/00/75/55/567007555.db2.gz RRMVAFQVQHDMMS-UHFFFAOYSA-N 0 3 288.822 4.510 50 0 CJAAHN C(=C/c1ccccc1)\CN1CCC[C@@H]1c1ccsc1 ZINC000065609297 570362520 /nfs/dbraw/zinc/36/25/20/570362520.db2.gz XAHNDOVCAUKUOA-IOMDMTNGSA-N 0 3 269.413 4.598 50 0 CJAAHN CN(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1 ZINC000066322761 567899796 /nfs/dbraw/zinc/89/97/96/567899796.db2.gz AXTDLSCKJFTPJW-UHFFFAOYSA-N 0 3 280.198 4.625 50 0 CJAAHN C(=C/c1ccccc1)\CN(Cc1ccco1)C1CCCC1 ZINC000071811001 176267969 /nfs/dbraw/zinc/26/79/69/176267969.db2.gz UDZDPAGPNXRWKF-UXBLZVDNSA-N 0 3 281.399 4.738 50 0 CJAAHN c1ccc(CCCC2=CCN(Cc3ccccc3)CC2)cc1 ZINC000072194242 176337198 /nfs/dbraw/zinc/33/71/98/176337198.db2.gz RJKHELOCNIIEFU-UHFFFAOYSA-N 0 3 291.438 4.842 50 0 CJAAHN C[C@H](N(C)Cc1c(Cl)ccc2cccnc21)C1(C)CC1 ZINC000075108163 566935011 /nfs/dbraw/zinc/93/50/11/566935011.db2.gz ADSLRPCRANMQKG-LBPRGKRZSA-N 0 3 288.822 4.509 50 0 CJAAHN C[C@@H](N(C)Cc1c(Cl)ccc2cccnc21)C1(C)CC1 ZINC000075108165 566935406 /nfs/dbraw/zinc/93/54/06/566935406.db2.gz ADSLRPCRANMQKG-GFCCVEGCSA-N 0 3 288.822 4.509 50 0 CJAAHN Cc1ccsc1CNCc1csc2ccccc12 ZINC000075675508 570272398 /nfs/dbraw/zinc/27/23/98/570272398.db2.gz NWIKOYURDCSBOR-UHFFFAOYSA-N 0 3 273.426 4.561 50 0 CJAAHN Clc1ccccc1CN1CCC(c2cccs2)CC1 ZINC000085473464 179077728 /nfs/dbraw/zinc/07/77/28/179077728.db2.gz HDEDETQBWJAJEZ-UHFFFAOYSA-N 0 3 291.847 4.781 50 0 CJAAHN c1sc2ccccc2c1CNCc1ccc2c(c1)CCC2 ZINC000095377718 567128070 /nfs/dbraw/zinc/12/80/70/567128070.db2.gz MAOQABKDDRDNDN-UHFFFAOYSA-N 0 3 293.435 4.680 50 0 CJAAHN CC[C@H](N[C@@H](C)c1cc(C)sc1C)c1ccncc1 ZINC000095423130 567132468 /nfs/dbraw/zinc/13/24/68/567132468.db2.gz KSNCHDGPNYVCMJ-LRDDRELGSA-N 0 3 274.433 4.562 50 0 CJAAHN CC[C@@H](N[C@@H](C)c1cc(C)sc1C)c1ccncc1 ZINC000095423131 567131142 /nfs/dbraw/zinc/13/11/42/567131142.db2.gz KSNCHDGPNYVCMJ-BLLLJJGKSA-N 0 3 274.433 4.562 50 0 CJAAHN CC[C@H](N[C@H](C)c1cc(C)sc1C)c1ccncc1 ZINC000095423132 567131324 /nfs/dbraw/zinc/13/13/24/567131324.db2.gz KSNCHDGPNYVCMJ-WBMJQRKESA-N 0 3 274.433 4.562 50 0 CJAAHN CC[C@@H](N[C@H](C)c1cc(C)sc1C)c1ccncc1 ZINC000095423133 567131605 /nfs/dbraw/zinc/13/16/05/567131605.db2.gz KSNCHDGPNYVCMJ-MLGOLLRUSA-N 0 3 274.433 4.562 50 0 CJAAHN CC(C)(Cl)CN(Cc1ccccc1)Cc1ccccc1 ZINC000095811157 566877752 /nfs/dbraw/zinc/87/77/52/566877752.db2.gz UVBCCUYENYVTKO-UHFFFAOYSA-N 0 3 287.834 4.706 50 0 CJAAHN C[C@@H]1CN(C2CCCCCCCCCCC2)C[C@H](C)O1 ZINC000095944423 185037161 /nfs/dbraw/zinc/03/71/61/185037161.db2.gz JMXKCYUTURMERF-CALCHBBNSA-N 0 3 281.484 4.769 50 0 in-vitro CJAAHN CC[C@H](N[C@@H](C)c1ccc(Cl)s1)c1ccncc1 ZINC000095968429 185046862 /nfs/dbraw/zinc/04/68/62/185046862.db2.gz XFXVLBCNKBTISY-JQWIXIFHSA-N 0 3 280.824 4.598 50 0 CJAAHN CC[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1ccncc1 ZINC000095968430 185046349 /nfs/dbraw/zinc/04/63/49/185046349.db2.gz XFXVLBCNKBTISY-CMPLNLGQSA-N 0 3 280.824 4.598 50 0 CJAAHN CC[C@H](N[C@H](C)c1ccc(Cl)s1)c1ccncc1 ZINC000095968431 185046217 /nfs/dbraw/zinc/04/62/17/185046217.db2.gz XFXVLBCNKBTISY-PWSUYJOCSA-N 0 3 280.824 4.598 50 0 CJAAHN CC[C@@H](N[C@H](C)c1ccc(Cl)s1)c1ccncc1 ZINC000095968432 185046406 /nfs/dbraw/zinc/04/64/06/185046406.db2.gz XFXVLBCNKBTISY-ZYHUDNBSSA-N 0 3 280.824 4.598 50 0 CJAAHN CN(Cc1nc2ccccc2s1)C1CCCCCCC1 ZINC000095988589 567136473 /nfs/dbraw/zinc/13/64/73/567136473.db2.gz ATBKKJSELPGSTJ-UHFFFAOYSA-N 0 3 288.460 4.841 50 0 CJAAHN C[C@H](NC1(c2ccccc2)CCCCC1)c1ccccn1 ZINC000095991401 185058364 /nfs/dbraw/zinc/05/83/64/185058364.db2.gz AYEITERAFBKRHW-INIZCTEOSA-N 0 3 280.415 4.592 50 0 CJAAHN C[C@@H](NC1(c2ccccc2)CCCCC1)c1ccccn1 ZINC000095991402 185058343 /nfs/dbraw/zinc/05/83/43/185058343.db2.gz AYEITERAFBKRHW-MRXNPFEDSA-N 0 3 280.415 4.592 50 0 CJAAHN CN(C)Cc1ccccc1Nc1cccc(Cl)c1Cl ZINC000096026894 567138389 /nfs/dbraw/zinc/13/83/89/567138389.db2.gz KLWNYVNLAVIELX-UHFFFAOYSA-N 0 3 295.213 4.799 50 0 CJAAHN C(=C\c1ccccc1)\CN1CCC[C@@H]1c1ccsc1 ZINC000096166212 567138479 /nfs/dbraw/zinc/13/84/79/567138479.db2.gz XAHNDOVCAUKUOA-RLXIPRIJSA-N 0 3 269.413 4.598 50 0 CJAAHN CCc1ccc([C@@H](C)N[C@@H](CC)c2ccncc2)s1 ZINC000097017091 529707090 /nfs/dbraw/zinc/70/70/90/529707090.db2.gz OJHGVVULSKYDNG-DOMZBBRYSA-N 0 3 274.433 4.507 50 0 CJAAHN CCc1ccc([C@H](C)N[C@@H](CC)c2ccncc2)s1 ZINC000097017093 529722033 /nfs/dbraw/zinc/72/20/33/529722033.db2.gz OJHGVVULSKYDNG-WFASDCNBSA-N 0 3 274.433 4.507 50 0 CJAAHN CCc1ccc([C@@H](C)N[C@H](CC)c2ccncc2)s1 ZINC000097017094 529707704 /nfs/dbraw/zinc/70/77/04/529707704.db2.gz OJHGVVULSKYDNG-IUODEOHRSA-N 0 3 274.433 4.507 50 0 CJAAHN CCc1ccc([C@H](C)N[C@H](CC)c2ccncc2)s1 ZINC000097017097 529721976 /nfs/dbraw/zinc/72/19/76/529721976.db2.gz OJHGVVULSKYDNG-SWLSCSKDSA-N 0 3 274.433 4.507 50 0 CJAAHN C(=C\c1ccccc1)\CN(Cc1ccco1)C1CCCC1 ZINC000097173662 567144395 /nfs/dbraw/zinc/14/43/95/567144395.db2.gz UDZDPAGPNXRWKF-POHAHGRESA-N 0 3 281.399 4.738 50 0 CJAAHN CC(C)P(Cc1cccc(-c2ccccn2)n1)C(C)C ZINC000098043387 185677213 /nfs/dbraw/zinc/67/72/13/185677213.db2.gz FZVNWGPGXZNBOR-UHFFFAOYSA-N 0 3 286.359 4.942 50 0 CJAAHN C(=C\c1ccccc1)\CN1CCC[C@H]1c1ccsc1 ZINC000101138743 567940800 /nfs/dbraw/zinc/94/08/00/567940800.db2.gz XAHNDOVCAUKUOA-LYLYKKCESA-N 0 3 269.413 4.598 50 0 CJAAHN CCNCc1ccccc1Oc1ccc(Cl)c(Cl)c1 ZINC000104166629 567882273 /nfs/dbraw/zinc/88/22/73/567882273.db2.gz JWYQISCFGDVNTR-UHFFFAOYSA-N 0 3 296.197 4.895 50 0 CJAAHN Cc1cc(Oc2cc(Cl)ccc2CN)ccc1Cl ZINC000109977412 567882405 /nfs/dbraw/zinc/88/24/05/567882405.db2.gz LIVQMOJBTZVVDO-UHFFFAOYSA-N 0 3 282.170 4.553 50 0 CJAAHN CCNCc1ccc(Cl)cc1Oc1ccc(Cl)cc1 ZINC000163463734 567882545 /nfs/dbraw/zinc/88/25/45/567882545.db2.gz XVLHGHAOCGPTDU-UHFFFAOYSA-N 0 3 296.197 4.895 50 0 CJAAHN C[C@H](N[C@@H]1c2ccccc2CCC1(C)C)c1cncc(F)c1 ZINC000170067524 567005280 /nfs/dbraw/zinc/00/52/80/567005280.db2.gz XVKDGAVLFNFFNN-SCLBCKFNSA-N 0 3 298.405 4.585 50 0 CJAAHN C[C@@H](N[C@@H]1c2ccccc2CCC1(C)C)c1cncc(F)c1 ZINC000170067526 567005575 /nfs/dbraw/zinc/00/55/75/567005575.db2.gz XVKDGAVLFNFFNN-FZKQIMNGSA-N 0 3 298.405 4.585 50 0 CJAAHN C[C@H](N[C@H]1c2ccccc2CCC1(C)C)c1cncc(F)c1 ZINC000170067529 567005627 /nfs/dbraw/zinc/00/56/27/567005627.db2.gz XVKDGAVLFNFFNN-UGSOOPFHSA-N 0 3 298.405 4.585 50 0 CJAAHN C[C@@H](N[C@H]1c2ccccc2CCC1(C)C)c1cncc(F)c1 ZINC000170067532 567005491 /nfs/dbraw/zinc/00/54/91/567005491.db2.gz XVKDGAVLFNFFNN-ACJLOTCBSA-N 0 3 298.405 4.585 50 0 CJAAHN Cc1cccc([C@@H](C)NC2(c3ccccc3)CCC2)c1 ZINC000170592241 567011836 /nfs/dbraw/zinc/01/18/36/567011836.db2.gz ICMOGOXYIHYNIM-MRXNPFEDSA-N 0 3 265.400 4.725 50 0 CJAAHN Cc1cccc([C@H](C)NC2(c3ccccc3)CCC2)c1 ZINC000170592242 567011717 /nfs/dbraw/zinc/01/17/17/567011717.db2.gz ICMOGOXYIHYNIM-INIZCTEOSA-N 0 3 265.400 4.725 50 0 CJAAHN COc1c(C)cc(CN[C@H](C)c2cc(C)cc(C)c2)cc1C ZINC000170623045 567015104 /nfs/dbraw/zinc/01/51/04/567015104.db2.gz MIKYYORRVVVDQZ-QGZVFWFLSA-N 0 3 297.442 4.780 50 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CJAAHN C[C@H](N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccccc1F ZINC000240912269 567044460 /nfs/dbraw/zinc/04/44/60/567044460.db2.gz IWZXPKQXHJOJOA-SUHUHFCYSA-N 0 3 289.316 4.597 50 0 CJAAHN C[C@H](N[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccccc1F ZINC000240912270 567043597 /nfs/dbraw/zinc/04/35/97/567043597.db2.gz IWZXPKQXHJOJOA-ZKYQVNSYSA-N 0 3 289.316 4.597 50 0 CJAAHN CC(C)[C@H](NCc1cccc2cccnc21)c1ccccc1 ZINC000248210976 567928878 /nfs/dbraw/zinc/92/88/78/567928878.db2.gz DGUPQKFXPUQMTF-IBGZPJMESA-N 0 3 290.410 4.722 50 0 CJAAHN CC(C)[C@@H](NCc1cccc2cccnc21)c1ccccc1 ZINC000248210978 567928777 /nfs/dbraw/zinc/92/87/77/567928777.db2.gz DGUPQKFXPUQMTF-LJQANCHMSA-N 0 3 290.410 4.722 50 0 CJAAHN Cc1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1F ZINC000302899660 333335863 /nfs/dbraw/zinc/33/58/63/333335863.db2.gz QBWZNZWCKQSKRT-UHFFFAOYSA-N 0 3 298.188 4.731 50 0 CJAAHN CC(=O)c1ccc(-c2ccc(CN3CCCCC3)cc2)s1 ZINC000426380291 570254781 /nfs/dbraw/zinc/25/47/81/570254781.db2.gz CITPJTHCXJNVRC-UHFFFAOYSA-N 0 3 299.439 4.604 50 0 CJAAHN 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