smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1ccc(N2CCC(O[C@@H](c3ccc(Cl)cc3)c3ccccn3)CC2)nc1)C1CC1 ZINC001164624815 719130863 /nfs/dbraw/zinc/13/08/63/719130863.db2.gz WDGCVLVNUIZGMD-MHZLTWQESA-N 0 3 463.025 5.499 20 0 JKADHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)c2c1CCNC2 ZINC001164681443 719654296 /nfs/dbraw/zinc/65/42/96/719654296.db2.gz PBONLUPHSPBKGS-UHFFFAOYSA-N 0 3 451.993 5.063 20 0 JKADHN Cc1nc(CN2CCCC23CCN(c2ncnc4c2ccn4Cc2ccc(F)cc2)CC3)cs1 ZINC001164694494 719809945 /nfs/dbraw/zinc/80/99/45/719809945.db2.gz ZAHGXQKBFODMQK-UHFFFAOYSA-N 0 3 476.625 5.019 20 0 JKADHN Cc1nc(CN2CCCC23CCN(c2ncnc4c2c(C)c(C)n4Cc2ccccc2)CC3)cs1 ZINC001164692135 719814117 /nfs/dbraw/zinc/81/41/17/719814117.db2.gz MFMBGLSJKNIIME-UHFFFAOYSA-N 0 3 486.689 5.496 20 0 JKADHN Clc1ccc(-c2ccc(C3OCCCO3)c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2)cn1 ZINC001164734414 720417974 /nfs/dbraw/zinc/41/79/74/720417974.db2.gz RYMWVFYGTLVQDR-RPWUZVMVSA-N 0 3 477.008 5.086 20 0 JKADHN c1ccc(SCc2nc3sc4c(c3c(N3CC[C@H]5[C@@H]3CCN5Cc3cccnc3)n2)CCC4)cc1 ZINC001164733038 720439360 /nfs/dbraw/zinc/43/93/60/720439360.db2.gz PDUPUTXSJSCVRF-GOTSBHOMSA-N 0 3 499.709 5.721 20 0 JKADHN c1sc2nc(C3CC3)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164734352 720458659 /nfs/dbraw/zinc/45/86/59/720458659.db2.gz RNUOYCGHHDPPOR-GOTSBHOMSA-N 0 3 453.615 5.484 20 0 JKADHN Clc1ccc(-c2nnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c3ccccc32)cc1Cl ZINC001164735911 720460102 /nfs/dbraw/zinc/46/01/02/720460102.db2.gz ZJDDTRCZMKDROO-BJKOFHAPSA-N 0 3 476.411 5.852 20 0 JKADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906473 721713890 /nfs/dbraw/zinc/71/38/90/721713890.db2.gz MGPIWNOEUDHVDI-HSZRJFAPSA-N 0 3 493.385 5.683 20 0 JKADHN COc1ccc2c(cc(Cl)nc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164908577 721716083 /nfs/dbraw/zinc/71/60/83/721716083.db2.gz YEPMINFEEFDDIN-QHCPKHFHSA-N 0 3 458.940 5.030 20 0 JKADHN FC1(F)CCN(c2cc(-c3ccccc3)c3ccccc3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908646 721722768 /nfs/dbraw/zinc/72/27/68/721722768.db2.gz YKIYMTXHSQSPMU-MUUNZHRXSA-N 0 3 470.567 6.035 20 0 JKADHN Fc1ccc(-c2csc3ncnc(N4CCC(F)(F)[C@@]5(CCN(Cc6ccccn6)C5)C4)c23)cc1 ZINC001164906165 721723504 /nfs/dbraw/zinc/72/35/04/721723504.db2.gz KHMUHAQESPXVNS-RUZDIDTESA-N 0 3 495.574 5.630 20 0 JKADHN Fc1ccc(-c2nc3ccccc3c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)n2)cc1 ZINC001164913857 721724169 /nfs/dbraw/zinc/72/41/69/721724169.db2.gz YYTNXOVEHYHVFK-MHZLTWQESA-N 0 3 489.545 5.569 20 0 JKADHN Cc1nc2scc(-c3cccs3)c2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164913945 721724568 /nfs/dbraw/zinc/72/45/68/721724568.db2.gz ZPSKSLCUWBKJEL-DEOSSOPVSA-N 0 3 497.640 5.861 20 0 JKADHN FC1(F)CCN(c2nc(-c3ccsc3)nc3ccccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164912248 721725470 /nfs/dbraw/zinc/72/54/70/721725470.db2.gz NJDHRUUUDADPHB-RUZDIDTESA-N 0 3 477.584 5.491 20 0 JKADHN FC1(F)CCN(c2cc(SCc3ccccc3)ccn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164912288 721729406 /nfs/dbraw/zinc/72/94/06/721729406.db2.gz NTDOBHWLKRSRAN-RUZDIDTESA-N 0 3 466.601 5.507 20 0 JKADHN Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164911191 721729934 /nfs/dbraw/zinc/72/99/34/721729934.db2.gz IMIVNOPNWGAHSD-QHCPKHFHSA-N 0 3 473.930 5.069 20 0 JKADHN Cc1nc(-c2ccccc2Cl)nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1C ZINC001164913104 721730329 /nfs/dbraw/zinc/73/03/29/721730329.db2.gz SWOPQUJEYWEZIS-RUZDIDTESA-N 0 3 483.994 5.547 20 0 JKADHN FC1(F)CCN(c2ccc3c(Cl)ccc(Cl)c3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164911848 721734890 /nfs/dbraw/zinc/73/48/90/721734890.db2.gz LFMSTXOSBJCZAE-QFIPXVFZSA-N 0 3 463.359 5.674 20 0 JKADHN FC1(F)CCN(c2c(Cl)ccc3c(Cl)ncnc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164913494 721737292 /nfs/dbraw/zinc/73/72/92/721737292.db2.gz WJLAWXLLKYOAKG-OAQYLSRUSA-N 0 3 464.347 5.069 20 0 JKADHN COc1cc2cnc(Cl)cc2cc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164909783 721739214 /nfs/dbraw/zinc/73/92/14/721739214.db2.gz DQGATZZZZNOENW-QHCPKHFHSA-N 0 3 458.940 5.030 20 0 JKADHN Clc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963201 722054635 /nfs/dbraw/zinc/05/46/35/722054635.db2.gz IIVGDLJUFWGPGU-UHFFFAOYSA-N 0 3 457.405 5.056 20 0 JKADHN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981292 722107572 /nfs/dbraw/zinc/10/75/72/722107572.db2.gz KYFSZOYYTAZZBL-LADGPHEKSA-N 0 3 484.978 5.069 20 0 JKADHN Clc1ccc(-c2nc3ccccc3c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164982037 722115433 /nfs/dbraw/zinc/11/54/33/722115433.db2.gz VUFRZVHIFCRGTC-BKMJKUGQSA-N 0 3 486.019 5.073 20 0 JKADHN Clc1nc2sc(-c3ccccc3)cc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984620 722132130 /nfs/dbraw/zinc/13/21/30/722132130.db2.gz XWVFAZVZCIPCNT-IRLDBZIGSA-N 0 3 492.048 5.134 20 0 JKADHN Cc1ccc(-c2nnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1C ZINC001164974171 722139771 /nfs/dbraw/zinc/13/97/71/722139771.db2.gz CKLNDBJRQXBNBG-NAKRPHOHSA-N 0 3 479.628 5.036 20 0 JKADHN COc1ccc2c(c1)nc(N1CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C1)cc2-c1ccccc1 ZINC001164985537 722141693 /nfs/dbraw/zinc/14/16/93/722141693.db2.gz ZSQQIUUYOFEFPC-GIGWZHCTSA-N 0 3 480.612 5.033 20 0 JKADHN Cc1sc2nc(-c3cccs3)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164978927 722141736 /nfs/dbraw/zinc/14/17/36/722141736.db2.gz LBNFHGZWKPNXAP-NHCUHLMSSA-N 0 3 491.686 5.159 20 0 JKADHN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974716 722159135 /nfs/dbraw/zinc/15/91/35/722159135.db2.gz PGWLEDGKWUTHHW-NQIIRXRSSA-N 0 3 491.007 5.131 20 0 JKADHN COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000001544683 562920985 /nfs/dbraw/zinc/92/09/85/562920985.db2.gz MCGDSOGUHLTADD-UHFFFAOYSA-N 0 3 475.610 6.940 20 0 world JKADHN COc1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1OCCN1CCCC1 ZINC000028899167 563085976 /nfs/dbraw/zinc/08/59/76/563085976.db2.gz GGSBVDHIZXYUTP-UHFFFAOYSA-N 0 3 463.603 5.771 20 0 JKADHN Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164632687 719112737 /nfs/dbraw/zinc/11/27/37/719112737.db2.gz ZXXZRXJEMNOMPI-ZJSXRUAMSA-N 0 3 483.019 5.355 20 0 JKADHN CN(Cc1ccc(N2CCC(O[C@H](c3ccc(Cl)cc3)c3ccccn3)CC2)nc1)C1CC1 ZINC001164624813 719130654 /nfs/dbraw/zinc/13/06/54/719130654.db2.gz WDGCVLVNUIZGMD-HHHXNRCGSA-N 0 3 463.025 5.499 20 0 JKADHN Clc1ccc([C@H](OC2CCN(c3ncccc3CN3CCCC3)CC2)c2ccccn2)cc1 ZINC001164621846 719131348 /nfs/dbraw/zinc/13/13/48/719131348.db2.gz NKKYDIKQDQXJLA-SANMLTNESA-N 0 3 463.025 5.501 20 0 JKADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164705946 719898472 /nfs/dbraw/zinc/89/84/72/719898472.db2.gz GHBOYIAZYWWKNK-UHFFFAOYSA-N 0 3 499.750 5.083 20 0 JKADHN Clc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1-c1ccccc1 ZINC001164728912 720380399 /nfs/dbraw/zinc/38/03/99/720380399.db2.gz UGKDPUAJISNPBL-BJKOFHAPSA-N 0 3 468.004 5.712 20 0 JKADHN Clc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1-c1ccccc1 ZINC001164728916 720380979 /nfs/dbraw/zinc/38/09/79/720380979.db2.gz UGKDPUAJISNPBL-DNQXCXABSA-N 0 3 468.004 5.712 20 0 JKADHN COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164730412 720398790 /nfs/dbraw/zinc/39/87/90/720398790.db2.gz XJCCLOILQPGQOJ-LOSJGSFVSA-N 0 3 471.992 5.207 20 0 JKADHN c1csc(-c2nc3sc4c(c3c(N3CC[C@H]5[C@H]3CCN5Cc3cccnc3)n2)CCC4)c1 ZINC001164725856 720440086 /nfs/dbraw/zinc/44/00/86/720440086.db2.gz BDXMQCRMEYLOGX-RBUKOAKNSA-N 0 3 459.644 5.157 20 0 JKADHN FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164844881 720741213 /nfs/dbraw/zinc/74/12/13/720741213.db2.gz UVWBPEPVLMRBBL-UHFFFAOYSA-N 0 3 464.004 5.577 20 0 JKADHN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164843985 720741248 /nfs/dbraw/zinc/74/12/48/720741248.db2.gz NNFKKYOODZJCMS-UHFFFAOYSA-N 0 3 463.985 5.257 20 0 JKADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccccc5)nc(Cl)c4-c4ccccc4)C[C@@H]3C2)cn1 ZINC001164773203 721130482 /nfs/dbraw/zinc/13/04/82/721130482.db2.gz XCESZOCKLVXXRD-ZEQRLZLVSA-N 0 3 485.035 5.156 20 0 JKADHN Cn1cc(CN2CC[C@H]3CN(c4nnc(-c5ccc(Cl)c(Cl)c5)c5ccccc54)C[C@H]3C2)cn1 ZINC001164764112 721219153 /nfs/dbraw/zinc/21/91/53/721219153.db2.gz GHJSZGAZOCCNLV-VQTJNVASSA-N 0 3 493.442 5.295 20 0 JKADHN COc1cccc2c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)cc(Cl)nc12 ZINC001164905727 721583702 /nfs/dbraw/zinc/58/37/02/721583702.db2.gz VNEGAVCYMUXWJK-QHCPKHFHSA-N 0 3 458.940 5.030 20 0 JKADHN CC(C)(C)c1cc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2s1 ZINC001164905655 721694380 /nfs/dbraw/zinc/69/43/80/721694380.db2.gz KIGSSQIFECXIND-QHCPKHFHSA-N 0 3 457.594 5.122 20 0 JKADHN FC1(F)CCN(c2nc(Cl)cc3c(Cl)ccnc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904215 721702766 /nfs/dbraw/zinc/70/27/66/721702766.db2.gz DUKCWEVURNUPAR-NRFANRHFSA-N 0 3 464.347 5.069 20 0 JKADHN FC1(F)CCN(c2cc(-c3ccccc3)cc(Cl)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904211 721703167 /nfs/dbraw/zinc/70/31/67/721703167.db2.gz AQVYARLKGSBGTH-DEOSSOPVSA-N 0 3 454.952 5.535 20 0 JKADHN COc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c2cc(Cl)ccc12 ZINC001164904942 721705542 /nfs/dbraw/zinc/70/55/42/721705542.db2.gz FSSBHGRSCJFINN-HSZRJFAPSA-N 0 3 458.940 5.030 20 0 JKADHN COc1ccc2c(cc(Cl)nc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164908575 721715748 /nfs/dbraw/zinc/71/57/48/721715748.db2.gz YEPMINFEEFDDIN-HSZRJFAPSA-N 0 3 458.940 5.030 20 0 JKADHN Cc1nc2sc3c(c2c(N2CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C2)n1)CCCC3 ZINC001164904374 721722536 /nfs/dbraw/zinc/72/25/36/721722536.db2.gz CVQAOUATFCOJDR-DEOSSOPVSA-N 0 3 469.605 5.011 20 0 JKADHN CC(C)(C)c1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc(C(C)(C)C)n1 ZINC001164908538 721722779 /nfs/dbraw/zinc/72/27/79/721722779.db2.gz XSDNUNSDQSVPQJ-VWLOTQADSA-N 0 3 457.613 5.204 20 0 JKADHN FC1(F)CCN(c2cc(-c3ccccc3)c3ccccc3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908655 721722904 /nfs/dbraw/zinc/72/29/04/721722904.db2.gz YKIYMTXHSQSPMU-NDEPHWFRSA-N 0 3 470.567 6.035 20 0 JKADHN Cc1nc2sc3c(c2c(N2CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C2)n1)CCCC3 ZINC001164904375 721723393 /nfs/dbraw/zinc/72/33/93/721723393.db2.gz CVQAOUATFCOJDR-XMMPIXPASA-N 0 3 469.605 5.011 20 0 JKADHN Cc1nc2sc3c(c2c(N2CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C2)n1)CCCCC3 ZINC001164910644 721724793 /nfs/dbraw/zinc/72/47/93/721724793.db2.gz HITGKZQCPMJBJQ-VWLOTQADSA-N 0 3 483.632 5.401 20 0 JKADHN FC1(F)CCN(c2nc(-c3ccsc3)nc3ccccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164912250 721726238 /nfs/dbraw/zinc/72/62/38/721726238.db2.gz NJDHRUUUDADPHB-VWLOTQADSA-N 0 3 477.584 5.491 20 0 JKADHN FC(F)c1nc2ccc(Cl)cc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164909074 721733404 /nfs/dbraw/zinc/73/34/04/721733404.db2.gz AUVSPVKYGUWTPJ-JOCHJYFZSA-N 0 3 479.909 5.354 20 0 JKADHN FC1(F)CCN(c2ccc3c(Cl)ccc(Cl)c3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164911847 721734109 /nfs/dbraw/zinc/73/41/09/721734109.db2.gz LFMSTXOSBJCZAE-JOCHJYFZSA-N 0 3 463.359 5.674 20 0 JKADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164909126 721735254 /nfs/dbraw/zinc/73/52/54/721735254.db2.gz BYLGADWDPLALFJ-HSZRJFAPSA-N 0 3 478.921 5.608 20 0 JKADHN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(N3CCCC3)cc3ccccc31)C2 ZINC001164910455 721761526 /nfs/dbraw/zinc/76/15/26/721761526.db2.gz GCHPRBLNWNSYGN-UHFFFAOYSA-N 0 3 453.590 5.018 20 0 JKADHN Clc1ccc2nc(-c3ccccc3)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164982243 722126291 /nfs/dbraw/zinc/12/62/91/722126291.db2.gz WOWIHBOVIJPZQI-GJZUVCINSA-N 0 3 486.019 5.073 20 0 JKADHN c1ccc(-c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc3ccccc32)cc1 ZINC001164982238 722138789 /nfs/dbraw/zinc/13/87/89/722138789.db2.gz RLEIPLKGRCZTIO-UFHPHHKVSA-N 0 3 450.586 5.024 20 0 JKADHN Cc1ccc(-c2nnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1C ZINC001164974149 722139760 /nfs/dbraw/zinc/13/97/60/722139760.db2.gz CKLNDBJRQXBNBG-LBNVMWSVSA-N 0 3 479.628 5.036 20 0 JKADHN Cc1sc2nc(-c3cccs3)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164978928 722141606 /nfs/dbraw/zinc/14/16/06/722141606.db2.gz LBNFHGZWKPNXAP-RTWAWAEBSA-N 0 3 491.686 5.159 20 0 JKADHN Fc1ccc(Cn2ccc3c2ncnc3N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)cc1 ZINC001164996738 722202149 /nfs/dbraw/zinc/20/21/49/722202149.db2.gz WCGKDBRUNOPAKB-HHHXNRCGSA-N 0 3 459.544 5.003 20 0 JKADHN Clc1ccc([C@H](OC2CCN(c3ccc(CN4CCCC4)cn3)CC2)c2ccccn2)cc1 ZINC001164620658 719130119 /nfs/dbraw/zinc/13/01/19/719130119.db2.gz JFPSZRCZQRQVDE-MHZLTWQESA-N 0 3 463.025 5.501 20 0 JKADHN Clc1ccc([C@@H](OC2CCN(c3ncccc3CN3CCCC3)CC2)c2ccccn2)cc1 ZINC001164621836 719131214 /nfs/dbraw/zinc/13/12/14/719131214.db2.gz NKKYDIKQDQXJLA-AREMUKBSSA-N 0 3 463.025 5.501 20 0 JKADHN Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164722198 720359509 /nfs/dbraw/zinc/35/95/09/720359509.db2.gz FIHHAHVFBFBZFR-ZEQRLZLVSA-N 0 3 459.956 5.338 20 0 JKADHN Clc1ccc(-c2ccc(C3OCCCO3)c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2)cn1 ZINC001164734416 720419310 /nfs/dbraw/zinc/41/93/10/720419310.db2.gz RYMWVFYGTLVQDR-ZEQRLZLVSA-N 0 3 477.008 5.086 20 0 JKADHN c1csc(-c2nc3sc4c(c3c(N3CC[C@@H]5[C@H]3CCN5Cc3cccnc3)n2)CCC4)c1 ZINC001164725858 720439162 /nfs/dbraw/zinc/43/91/62/720439162.db2.gz BDXMQCRMEYLOGX-RTBURBONSA-N 0 3 459.644 5.157 20 0 JKADHN c1ccc(SCc2nc3sc4c(c3c(N3CC[C@H]5[C@H]3CCN5Cc3cccnc3)n2)CCC4)cc1 ZINC001164733055 720439687 /nfs/dbraw/zinc/43/96/87/720439687.db2.gz PDUPUTXSJSCVRF-XZOQPEGZSA-N 0 3 499.709 5.721 20 0 JKADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5ccccc5)nc(Cl)c4-c4ccccc4)C[C@H]3C2)cn1 ZINC001164773189 721130941 /nfs/dbraw/zinc/13/09/41/721130941.db2.gz XCESZOCKLVXXRD-BJKOFHAPSA-N 0 3 485.035 5.156 20 0 JKADHN COc1cccc2c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)cc(Cl)nc12 ZINC001164905725 721583335 /nfs/dbraw/zinc/58/33/35/721583335.db2.gz VNEGAVCYMUXWJK-HSZRJFAPSA-N 0 3 458.940 5.030 20 0 JKADHN FC1(F)CCN(c2ncnc3scc(-c4ccccc4)c32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164903684 721694936 /nfs/dbraw/zinc/69/49/36/721694936.db2.gz BOAVEPJZMAMFIJ-RUZDIDTESA-N 0 3 477.584 5.491 20 0 JKADHN FC1(F)CCN(c2nc(Cl)nc3cc(Cl)ccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908085 721704015 /nfs/dbraw/zinc/70/40/15/721704015.db2.gz VJQSPCHOFZIUJN-OAQYLSRUSA-N 0 3 464.347 5.069 20 0 JKADHN FC1(F)CCN(c2ncnc3cc(Cl)c(Cl)cc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904968 721715116 /nfs/dbraw/zinc/71/51/16/721715116.db2.gz FZNCTOYKAKLEMC-NRFANRHFSA-N 0 3 464.347 5.069 20 0 JKADHN FC1(F)CCN(c2nnc(Cc3ccccc3)c3ccccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908145 721721791 /nfs/dbraw/zinc/72/17/91/721721791.db2.gz WBGJZEIYHLFERN-MUUNZHRXSA-N 0 3 485.582 5.353 20 0 JKADHN FC1(F)CCN(c2nnc(Cc3ccccc3)c3ccccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908147 721722838 /nfs/dbraw/zinc/72/28/38/721722838.db2.gz WBGJZEIYHLFERN-NDEPHWFRSA-N 0 3 485.582 5.353 20 0 JKADHN Cc1ccc(-c2nnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c3ccccc32)cc1 ZINC001164906840 721723213 /nfs/dbraw/zinc/72/32/13/721723213.db2.gz OPYIGJFXAKHHBC-NDEPHWFRSA-N 0 3 485.582 5.738 20 0 JKADHN Cc1sc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1-c1ccccc1 ZINC001164909097 721723958 /nfs/dbraw/zinc/72/39/58/721723958.db2.gz BFXYDWHBAXUUKZ-SANMLTNESA-N 0 3 491.611 5.799 20 0 JKADHN Fc1ccc(-c2nnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c3ccccc32)cc1 ZINC001164911156 721724811 /nfs/dbraw/zinc/72/48/11/721724811.db2.gz IGRSQZMCVRYCDA-MHZLTWQESA-N 0 3 489.545 5.569 20 0 JKADHN Cc1ccc(-c2nc3ccccc3c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)n2)s1 ZINC001164910655 721729066 /nfs/dbraw/zinc/72/90/66/721729066.db2.gz HPBPNRHLSAMIPU-AREMUKBSSA-N 0 3 491.611 5.799 20 0 JKADHN Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164911173 721730444 /nfs/dbraw/zinc/73/04/44/721730444.db2.gz IMIVNOPNWGAHSD-HSZRJFAPSA-N 0 3 473.930 5.069 20 0 JKADHN FC1(F)CCN(c2c(Cl)ccc3ccc(Cl)nc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164913373 721734652 /nfs/dbraw/zinc/73/46/52/721734652.db2.gz USJWXWMRPXUIPT-JOCHJYFZSA-N 0 3 463.359 5.674 20 0 JKADHN Fc1ccc(F)c2c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)cc(Cl)nc12 ZINC001164913772 721736862 /nfs/dbraw/zinc/73/68/62/721736862.db2.gz XPNBLFIABPQYNZ-QFIPXVFZSA-N 0 3 464.894 5.299 20 0 JKADHN Clc1ccc2nc(-c3ccccc3)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164982246 722126466 /nfs/dbraw/zinc/12/64/66/722126466.db2.gz WOWIHBOVIJPZQI-NVQXNPDNSA-N 0 3 486.019 5.073 20 0 JKADHN Clc1ccc2nc(-c3ccccc3)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164982236 722126600 /nfs/dbraw/zinc/12/66/00/722126600.db2.gz WOWIHBOVIJPZQI-ATIYNZHBSA-N 0 3 486.019 5.073 20 0 JKADHN Clc1nc2sc(-c3ccccc3)cc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984621 722132440 /nfs/dbraw/zinc/13/24/40/722132440.db2.gz XWVFAZVZCIPCNT-RBBKRZOGSA-N 0 3 492.048 5.134 20 0 JKADHN Cc1ccc(-c2nnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c3ccccc32)cc1C ZINC001164974162 722139804 /nfs/dbraw/zinc/13/98/04/722139804.db2.gz CKLNDBJRQXBNBG-LEAFIULHSA-N 0 3 479.628 5.036 20 0 JKADHN Clc1ccc(-c2csc3ncnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164980330 722139901 /nfs/dbraw/zinc/13/99/01/722139901.db2.gz MWLBOEVUNLJNHV-OFNKIYASSA-N 0 3 492.048 5.134 20 0 JKADHN Clc1ccc(-c2csc3ncnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164980327 722140029 /nfs/dbraw/zinc/14/00/29/722140029.db2.gz MWLBOEVUNLJNHV-NFBKMPQASA-N 0 3 492.048 5.134 20 0 JKADHN COc1ccc2c(c1)nc(N1CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C1)cc2-c1ccccc1 ZINC001164985529 722141660 /nfs/dbraw/zinc/14/16/60/722141660.db2.gz ZSQQIUUYOFEFPC-FUFSCUOVSA-N 0 3 480.612 5.033 20 0 JKADHN c1ccc(Oc2ccc(-c3ccc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)nn3)cc2)cc1 ZINC001164977960 722151217 /nfs/dbraw/zinc/15/12/17/722151217.db2.gz IUUWXWZICCNHSW-IRPSRAIASA-N 0 3 493.611 5.058 20 0 JKADHN c1ccc(Oc2ccc(-c3ccc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)nn3)cc2)cc1 ZINC001164977958 722151232 /nfs/dbraw/zinc/15/12/32/722151232.db2.gz IUUWXWZICCNHSW-ABYGYWHVSA-N 0 3 493.611 5.058 20 0 JKADHN c1ccc(Oc2ccc(-c3ccc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)nn3)cc2)cc1 ZINC001164977964 722151390 /nfs/dbraw/zinc/15/13/90/722151390.db2.gz IUUWXWZICCNHSW-VAVYLYDRSA-N 0 3 493.611 5.058 20 0 JKADHN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cnc2Cl)c1 ZINC001164972618 722157969 /nfs/dbraw/zinc/15/79/69/722157969.db2.gz ISYDKWUCSUKCTL-DHLKQENFSA-N 0 3 499.005 5.378 20 0 JKADHN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cnc2Cl)c1 ZINC001164972620 722157992 /nfs/dbraw/zinc/15/79/92/722157992.db2.gz ISYDKWUCSUKCTL-RCZVLFRGSA-N 0 3 499.005 5.378 20 0 JKADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ncnc4c2ccn4Cc2cccc(F)c2)C3)c1 ZINC001164995377 722201557 /nfs/dbraw/zinc/20/15/57/722201557.db2.gz MWQHXSMEUZOVKZ-HHHXNRCGSA-N 0 3 459.544 5.003 20 0 JKADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc(-c4ccc(C5OCCCO5)cc4)cn2)C3)c1 ZINC001164993707 722205830 /nfs/dbraw/zinc/20/58/30/722205830.db2.gz AANFJAXTCLWGIO-GDLZYMKVSA-N 0 3 473.592 5.568 20 0 JKADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)Oc3ccccc3-c3cccc(Cl)n3)CC2)CC1 ZINC001164617034 719034867 /nfs/dbraw/zinc/03/48/67/719034867.db2.gz FTJDYYOVFKUCRY-UHFFFAOYSA-N 0 3 493.982 5.071 20 0 JKADHN Clc1ccc([C@@H](OC2CCN(c3ccc(CN4CCCC4)cn3)CC2)c2ccccn2)cc1 ZINC001164620639 719130614 /nfs/dbraw/zinc/13/06/14/719130614.db2.gz JFPSZRCZQRQVDE-HHHXNRCGSA-N 0 3 463.025 5.501 20 0 JKADHN Cc1nc(CN2CCCC23CCN(c2ccc4c(n2)CCN(Cc2ccccc2)C4)CC3)cs1 ZINC001164692097 719806512 /nfs/dbraw/zinc/80/65/12/719806512.db2.gz GATCKGKQFNOXSJ-UHFFFAOYSA-N 0 3 473.690 5.040 20 0 JKADHN c1ccc(SCc2nc3sc4c(c3c(N3CC[C@@H]5[C@H]3CCN5Cc3cccnc3)n2)CCC4)cc1 ZINC001164733012 720440381 /nfs/dbraw/zinc/44/03/81/720440381.db2.gz PDUPUTXSJSCVRF-DHIUTWEWSA-N 0 3 499.709 5.721 20 0 JKADHN c1sc2nc(C3CC3)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164734365 720458264 /nfs/dbraw/zinc/45/82/64/720458264.db2.gz RNUOYCGHHDPPOR-XZOQPEGZSA-N 0 3 453.615 5.484 20 0 JKADHN FC(F)(c1ccc(OCc2ccc(Cl)nc2)cc1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164841991 720739607 /nfs/dbraw/zinc/73/96/07/720739607.db2.gz BKWIRFZHPSLOOF-UHFFFAOYSA-N 0 3 487.982 5.108 20 0 JKADHN Fc1ccccc1-c1cc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)cnc1Cl ZINC001164843105 720740245 /nfs/dbraw/zinc/74/02/45/720740245.db2.gz INOPROJMXPWIAS-UHFFFAOYSA-N 0 3 475.946 5.335 20 0 JKADHN Cc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(CNC5CCC5)c4C3)cnc2Cl)c1 ZINC001164844412 720741632 /nfs/dbraw/zinc/74/16/32/720741632.db2.gz RUUKMIFLWNVMJR-UHFFFAOYSA-N 0 3 471.983 5.504 20 0 JKADHN CC(C)N(C)Cc1cnc2n1CCN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)[C@@H]2C ZINC001164862401 721013652 /nfs/dbraw/zinc/01/36/52/721013652.db2.gz QFMXYJYXLSVIPX-LJQANCHMSA-N 0 3 489.693 5.038 20 0 JKADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccccc5)nc(Cl)c4-c4ccccc4)C[C@H]3C2)cn1 ZINC001164773198 721129425 /nfs/dbraw/zinc/12/94/25/721129425.db2.gz XCESZOCKLVXXRD-DNQXCXABSA-N 0 3 485.035 5.156 20 0 JKADHN FC1(F)CCN(c2nc(Cl)nc3ccc(Cl)cc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164903308 721583308 /nfs/dbraw/zinc/58/33/08/721583308.db2.gz LJYWBULKAODKSK-NRFANRHFSA-N 0 3 464.347 5.069 20 0 JKADHN FC1(F)CCN(c2nc(Cl)nc3ccc(Cl)cc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164903309 721584071 /nfs/dbraw/zinc/58/40/71/721584071.db2.gz LJYWBULKAODKSK-OAQYLSRUSA-N 0 3 464.347 5.069 20 0 JKADHN FC1(F)CCN(c2ncnc3scc(-c4cccs4)c32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904146 721693875 /nfs/dbraw/zinc/69/38/75/721693875.db2.gz DIZBQYMAFLRFMQ-HSZRJFAPSA-N 0 3 483.613 5.553 20 0 JKADHN FC1(F)CCN(c2nc(Cl)ccc2-c2ccccc2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164905402 721702640 /nfs/dbraw/zinc/70/26/40/721702640.db2.gz IXIBNOGNYCWKKX-XMMPIXPASA-N 0 3 454.952 5.535 20 0 JKADHN FC1(F)CCN(c2nc(Cl)nc3cccc(Cl)c32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906671 721703392 /nfs/dbraw/zinc/70/33/92/721703392.db2.gz NSDSNMZXGVEISF-NRFANRHFSA-N 0 3 464.347 5.069 20 0 JKADHN FC1(F)CCN(c2nc(Cl)nc3cc(Cl)ccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908084 721704260 /nfs/dbraw/zinc/70/42/60/721704260.db2.gz VJQSPCHOFZIUJN-NRFANRHFSA-N 0 3 464.347 5.069 20 0 JKADHN Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164908074 721724121 /nfs/dbraw/zinc/72/41/21/721724121.db2.gz VBJLTMLJODZFPY-HSZRJFAPSA-N 0 3 489.929 5.194 20 0 JKADHN O=C(Nc1cccc(Cl)c1)c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164912154 721724205 /nfs/dbraw/zinc/72/42/05/721724205.db2.gz MEUDBGFIHJRNHJ-RUZDIDTESA-N 0 3 497.977 5.120 20 0 JKADHN O=C(Nc1cccc(Cl)c1)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164912157 721724406 /nfs/dbraw/zinc/72/44/06/721724406.db2.gz MEUDBGFIHJRNHJ-VWLOTQADSA-N 0 3 497.977 5.120 20 0 JKADHN Cc1nc2sc3c(c2c(N2CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C2)n1)CCCCC3 ZINC001164910640 721724455 /nfs/dbraw/zinc/72/44/55/721724455.db2.gz HITGKZQCPMJBJQ-RUZDIDTESA-N 0 3 483.632 5.401 20 0 JKADHN Fc1ccc(Oc2ccc(Cl)nn2)c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164908075 721724495 /nfs/dbraw/zinc/72/44/95/721724495.db2.gz VBJLTMLJODZFPY-QHCPKHFHSA-N 0 3 489.929 5.194 20 0 JKADHN COc1cc2cnc(Cl)cc2cc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164909779 721739162 /nfs/dbraw/zinc/73/91/62/721739162.db2.gz DQGATZZZZNOENW-HSZRJFAPSA-N 0 3 458.940 5.030 20 0 JKADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCCC[C@@H]3c3cccnc3)c21 ZINC001165045905 721963645 /nfs/dbraw/zinc/96/36/45/721963645.db2.gz DEERDUYVKFRQGV-HSZRJFAPSA-N 0 3 489.019 5.523 20 0 JKADHN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164965012 722062441 /nfs/dbraw/zinc/06/24/41/722062441.db2.gz HZEWSTZOCNQONS-UHFFFAOYSA-N 0 3 491.026 5.063 20 0 JKADHN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981295 722107559 /nfs/dbraw/zinc/10/75/59/722107559.db2.gz KYFSZOYYTAZZBL-UPVQGACJSA-N 0 3 484.978 5.069 20 0 JKADHN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975067 722112220 /nfs/dbraw/zinc/11/22/20/722112220.db2.gz JFWHTHWFUMLADG-VGOFRKELSA-N 0 3 493.385 5.209 20 0 JKADHN Clc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164982033 722115180 /nfs/dbraw/zinc/11/51/80/722115180.db2.gz VUFRZVHIFCRGTC-ATIYNZHBSA-N 0 3 486.019 5.073 20 0 JKADHN Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973266 722126415 /nfs/dbraw/zinc/12/64/15/722126415.db2.gz GYBKMLPFWVDXSI-NVQXNPDNSA-N 0 3 486.019 5.073 20 0 JKADHN Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973260 722126715 /nfs/dbraw/zinc/12/67/15/722126715.db2.gz GYBKMLPFWVDXSI-GJZUVCINSA-N 0 3 486.019 5.073 20 0 JKADHN c1ccc(-c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc3ccccc32)cc1 ZINC001164982241 722138724 /nfs/dbraw/zinc/13/87/24/722138724.db2.gz RLEIPLKGRCZTIO-YWEHKCAJSA-N 0 3 450.586 5.024 20 0 JKADHN Clc1ccc(-c2csc3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c23)cc1 ZINC001164980332 722139670 /nfs/dbraw/zinc/13/96/70/722139670.db2.gz MWLBOEVUNLJNHV-REWPJTCUSA-N 0 3 492.048 5.134 20 0 JKADHN Cc1sc2nc(-c3cccs3)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164978926 722141189 /nfs/dbraw/zinc/14/11/89/722141189.db2.gz LBNFHGZWKPNXAP-LEWJYISDSA-N 0 3 491.686 5.159 20 0 JKADHN c1sc2nc(C3CC3)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164977066 722148057 /nfs/dbraw/zinc/14/80/57/722148057.db2.gz IJFOBVRNGNKYAG-ZCYQVOJMSA-N 0 3 497.668 5.358 20 0 JKADHN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cnc2Cl)c1 ZINC001164972624 722157714 /nfs/dbraw/zinc/15/77/14/722157714.db2.gz ISYDKWUCSUKCTL-WIOPSUGQSA-N 0 3 499.005 5.378 20 0 JKADHN Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164632664 719111745 /nfs/dbraw/zinc/11/17/45/719111745.db2.gz ZXXZRXJEMNOMPI-QPPBQGQZSA-N 0 3 483.019 5.355 20 0 JKADHN Cc1nc(CN2CCCC23CCN(c2ncnc4c2ccn4Cc2cccc(F)c2)CC3)cs1 ZINC001164694029 719809865 /nfs/dbraw/zinc/80/98/65/719809865.db2.gz UBMWSBQSTIXXDP-UHFFFAOYSA-N 0 3 476.625 5.019 20 0 JKADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1 ZINC001164691690 719813843 /nfs/dbraw/zinc/81/38/43/719813843.db2.gz JUIWGRVUJRAKIY-UHFFFAOYSA-N 0 3 498.766 5.550 20 0 JKADHN Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164722195 720359321 /nfs/dbraw/zinc/35/93/21/720359321.db2.gz FIHHAHVFBFBZFR-RPWUZVMVSA-N 0 3 459.956 5.338 20 0 JKADHN Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164722620 720398927 /nfs/dbraw/zinc/39/89/27/720398927.db2.gz DSRDGKOSQNJVPV-DNQXCXABSA-N 0 3 459.956 5.338 20 0 JKADHN Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164722618 720399139 /nfs/dbraw/zinc/39/91/39/720399139.db2.gz DSRDGKOSQNJVPV-BJKOFHAPSA-N 0 3 459.956 5.338 20 0 JKADHN Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164722625 720400118 /nfs/dbraw/zinc/40/01/18/720400118.db2.gz DSRDGKOSQNJVPV-ZEQRLZLVSA-N 0 3 459.956 5.338 20 0 JKADHN FC(F)(Oc1ccc(-c2ccnc(Cl)c2)cc1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838668 720739133 /nfs/dbraw/zinc/73/91/33/720739133.db2.gz WBOSNKXMZXMNOM-UHFFFAOYSA-N 0 3 473.955 5.076 20 0 JKADHN Cn1cc(CN2CC[C@@H]3CN(c4nnc(-c5ccc(Cl)c(Cl)c5)c5ccccc54)C[C@H]3C2)cn1 ZINC001164764118 721219116 /nfs/dbraw/zinc/21/91/16/721219116.db2.gz GHJSZGAZOCCNLV-WOJBJXKFSA-N 0 3 493.442 5.295 20 0 JKADHN FC1(F)CCN(c2nc(-c3ccccc3)nc3ccccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164905624 721699098 /nfs/dbraw/zinc/69/90/98/721699098.db2.gz KHLUJELGLODKGT-HHHXNRCGSA-N 0 3 471.555 5.430 20 0 JKADHN FC1(F)CCN(c2nc(-c3ccccc3)nc3ccccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164905642 721699215 /nfs/dbraw/zinc/69/92/15/721699215.db2.gz KHLUJELGLODKGT-MHZLTWQESA-N 0 3 471.555 5.430 20 0 JKADHN Cc1ccc(-c2csc3ncnc(N4CCC(F)(F)[C@@]5(CCN(Cc6ccccn6)C5)C4)c23)cc1 ZINC001164904920 721699601 /nfs/dbraw/zinc/69/96/01/721699601.db2.gz HQGGGVZOENHFFX-AREMUKBSSA-N 0 3 491.611 5.799 20 0 JKADHN FC1(F)CCN(c2cc3nc(Cl)cnc3cc2Cl)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908519 721700632 /nfs/dbraw/zinc/70/06/32/721700632.db2.gz ZUTBTFCGSVJYON-NRFANRHFSA-N 0 3 464.347 5.069 20 0 JKADHN FC1(F)CCN(c2cc(-c3ccccc3)cc(Cl)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904219 721702302 /nfs/dbraw/zinc/70/23/02/721702302.db2.gz AQVYARLKGSBGTH-XMMPIXPASA-N 0 3 454.952 5.535 20 0 JKADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906478 721714946 /nfs/dbraw/zinc/71/49/46/721714946.db2.gz MGPIWNOEUDHVDI-QHCPKHFHSA-N 0 3 493.385 5.683 20 0 JKADHN CC(C)(C)c1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc(C(C)(C)C)n1 ZINC001164908537 721723321 /nfs/dbraw/zinc/72/33/21/721723321.db2.gz XSDNUNSDQSVPQJ-RUZDIDTESA-N 0 3 457.613 5.204 20 0 JKADHN Fc1ccc(-c2nc3ccccc3c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)n2)cc1 ZINC001164913856 721724428 /nfs/dbraw/zinc/72/44/28/721724428.db2.gz YYTNXOVEHYHVFK-HHHXNRCGSA-N 0 3 489.545 5.569 20 0 JKADHN Fc1ccc(F)c2c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)cc(Cl)nc12 ZINC001164913768 721737124 /nfs/dbraw/zinc/73/71/24/721737124.db2.gz XPNBLFIABPQYNZ-JOCHJYFZSA-N 0 3 464.894 5.299 20 0 JKADHN c1cc(-c2ccc3c(C4CN(c5ccc6c(n5)CCN(Cc5ccccc5)C6)C4)ncn3c2)co1 ZINC001165016492 721767386 /nfs/dbraw/zinc/76/73/86/721767386.db2.gz XDWQYODYTYRAAI-UHFFFAOYSA-N 0 3 461.569 5.151 20 0 JKADHN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981299 722107343 /nfs/dbraw/zinc/10/73/43/722107343.db2.gz KYFSZOYYTAZZBL-VWNXMTODSA-N 0 3 484.978 5.069 20 0 JKADHN Clc1ccc2nc(-c3ccccc3)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164982239 722126450 /nfs/dbraw/zinc/12/64/50/722126450.db2.gz WOWIHBOVIJPZQI-BKMJKUGQSA-N 0 3 486.019 5.073 20 0 JKADHN Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973236 722126735 /nfs/dbraw/zinc/12/67/35/722126735.db2.gz GYBKMLPFWVDXSI-ATIYNZHBSA-N 0 3 486.019 5.073 20 0 JKADHN Clc1nc2sc(-c3ccccc3)cc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984619 722132493 /nfs/dbraw/zinc/13/24/93/722132493.db2.gz XWVFAZVZCIPCNT-IFMALSPDSA-N 0 3 492.048 5.134 20 0 JKADHN c1sc2nc(C3CC3)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164977063 722147838 /nfs/dbraw/zinc/14/78/38/722147838.db2.gz IJFOBVRNGNKYAG-ILBGXUMGSA-N 0 3 497.668 5.358 20 0 JKADHN Fc1cccc(CN2CC[C@]23CCCN(c2ncnc4c2ccn4Cc2cccc(F)c2)C3)c1 ZINC001164995378 722202282 /nfs/dbraw/zinc/20/22/82/722202282.db2.gz MWQHXSMEUZOVKZ-MHZLTWQESA-N 0 3 459.544 5.003 20 0 JKADHN Fc1cccc(CN2CC[C@]23CCCN(c2cc(-c4nc(-c5cccs5)no4)ccn2)C3)c1 ZINC001164999144 722210594 /nfs/dbraw/zinc/21/05/94/722210594.db2.gz ZSPCTNGRFJMGEG-VWLOTQADSA-N 0 3 461.566 5.244 20 0 JKADHN Fc1cccc(CN2CC[C@@]23CCCN(c2cc(-c4nc(-c5cccs5)no4)ccn2)C3)c1 ZINC001164999142 722210956 /nfs/dbraw/zinc/21/09/56/722210956.db2.gz ZSPCTNGRFJMGEG-RUZDIDTESA-N 0 3 461.566 5.244 20 0 JKADHN Cc1c2cc(O)ccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1-c1ccc(O)cc1 ZINC000000602799 553711504 /nfs/dbraw/zinc/71/15/04/553711504.db2.gz JICOGKJOQXTAIP-UHFFFAOYSA-N 0 3 456.586 5.941 20 0 investigational JKADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC2)CC1 ZINC001164614620 719025128 /nfs/dbraw/zinc/02/51/28/719025128.db2.gz VMVPGMNZQBQHML-UHFFFAOYSA-N 0 3 486.390 5.330 20 0 JKADHN Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164632677 719111675 /nfs/dbraw/zinc/11/16/75/719111675.db2.gz ZXXZRXJEMNOMPI-URXFXBBRSA-N 0 3 483.019 5.355 20 0 JKADHN CC(C)N(C)Cc1nn(C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)c2c1CCNC2 ZINC001164681442 719651229 /nfs/dbraw/zinc/65/12/29/719651229.db2.gz OYUHHARLHIZLHS-UHFFFAOYSA-N 0 3 496.993 5.230 20 0 JKADHN Clc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1-c1ccccc1 ZINC001164728918 720380372 /nfs/dbraw/zinc/38/03/72/720380372.db2.gz UGKDPUAJISNPBL-RPWUZVMVSA-N 0 3 468.004 5.712 20 0 JKADHN Clc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1-c1ccccc1 ZINC001164728920 720382199 /nfs/dbraw/zinc/38/21/99/720382199.db2.gz UGKDPUAJISNPBL-ZEQRLZLVSA-N 0 3 468.004 5.712 20 0 JKADHN COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164730403 720399900 /nfs/dbraw/zinc/39/99/00/720399900.db2.gz XJCCLOILQPGQOJ-DQEYMECFSA-N 0 3 471.992 5.207 20 0 JKADHN c1csc(-c2nc3sc4c(c3c(N3CC[C@@H]5[C@@H]3CCN5Cc3cccnc3)n2)CCC4)c1 ZINC001164725840 720440287 /nfs/dbraw/zinc/44/02/87/720440287.db2.gz BDXMQCRMEYLOGX-MOPGFXCFSA-N 0 3 459.644 5.157 20 0 JKADHN c1csc(-c2nc3sc4c(c3c(N3CC[C@H]5[C@@H]3CCN5Cc3cccnc3)n2)CCC4)c1 ZINC001164725853 720440482 /nfs/dbraw/zinc/44/04/82/720440482.db2.gz BDXMQCRMEYLOGX-OALUTQOASA-N 0 3 459.644 5.157 20 0 JKADHN Clc1ccc(-c2nnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c3ccccc32)cc1Cl ZINC001164735913 720460216 /nfs/dbraw/zinc/46/02/16/720460216.db2.gz ZJDDTRCZMKDROO-RPWUZVMVSA-N 0 3 476.411 5.852 20 0 JKADHN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837460 720737111 /nfs/dbraw/zinc/73/71/11/720737111.db2.gz KLLAAYVCHAVERQ-UHFFFAOYSA-N 0 3 466.363 5.335 20 0 JKADHN FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164844401 720740374 /nfs/dbraw/zinc/74/03/74/720740374.db2.gz RNWXLXSIZOUQKR-UHFFFAOYSA-N 0 3 473.955 5.076 20 0 JKADHN CC(C)N(C)Cc1cnc2n1CCN(c1nc(CN(C)C)nc3scc(-c4ccccc4)c31)[C@H]2C ZINC001164862399 721013598 /nfs/dbraw/zinc/01/35/98/721013598.db2.gz QFMXYJYXLSVIPX-IBGZPJMESA-N 0 3 489.693 5.038 20 0 JKADHN Cn1cc(CN2CC[C@H]3CN(c4nnc(-c5ccc(Cl)c(Cl)c5)c5ccccc54)C[C@@H]3C2)cn1 ZINC001164764096 721218785 /nfs/dbraw/zinc/21/87/85/721218785.db2.gz GHJSZGAZOCCNLV-PMACEKPBSA-N 0 3 493.442 5.295 20 0 JKADHN CC(C)(C)c1cc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2s1 ZINC001164905645 721694861 /nfs/dbraw/zinc/69/48/61/721694861.db2.gz KIGSSQIFECXIND-HSZRJFAPSA-N 0 3 457.594 5.122 20 0 JKADHN Cc1ccc(-c2csc3ncnc(N4CCC(F)(F)[C@]5(CCN(Cc6ccccn6)C5)C4)c23)cc1 ZINC001164904923 721699321 /nfs/dbraw/zinc/69/93/21/721699321.db2.gz HQGGGVZOENHFFX-SANMLTNESA-N 0 3 491.611 5.799 20 0 JKADHN FC1(F)CCN(c2nc(Cl)nc3c(Cl)cccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904951 721700311 /nfs/dbraw/zinc/70/03/11/721700311.db2.gz IHOVGEBZWZYRJW-NRFANRHFSA-N 0 3 464.347 5.069 20 0 JKADHN FC1(F)CCN(c2nc(Cl)ccc2-c2ccccc2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164905397 721702561 /nfs/dbraw/zinc/70/25/61/721702561.db2.gz IXIBNOGNYCWKKX-DEOSSOPVSA-N 0 3 454.952 5.535 20 0 JKADHN COc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c2cc(Cl)ccc12 ZINC001164904946 721705765 /nfs/dbraw/zinc/70/57/65/721705765.db2.gz FSSBHGRSCJFINN-QHCPKHFHSA-N 0 3 458.940 5.030 20 0 JKADHN Cc1ccc(-c2nnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c3ccccc32)cc1C ZINC001164907820 721724082 /nfs/dbraw/zinc/72/40/82/721724082.db2.gz UMCSYEDWBJUADI-GDLZYMKVSA-N 0 3 499.609 6.046 20 0 JKADHN Cc1sc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1-c1ccccc1 ZINC001164909096 721724606 /nfs/dbraw/zinc/72/46/06/721724606.db2.gz BFXYDWHBAXUUKZ-AREMUKBSSA-N 0 3 491.611 5.799 20 0 JKADHN Cc1ccc(-c2nnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c3ccccc32)cc1C ZINC001164907825 721724763 /nfs/dbraw/zinc/72/47/63/721724763.db2.gz UMCSYEDWBJUADI-LJAQVGFWSA-N 0 3 499.609 6.046 20 0 JKADHN Cc1nc2scc(-c3cccs3)c2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164913946 721724829 /nfs/dbraw/zinc/72/48/29/721724829.db2.gz ZPSKSLCUWBKJEL-XMMPIXPASA-N 0 3 497.640 5.861 20 0 JKADHN Fc1ccc(-c2ccc(Cl)nn2)c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164913797 721729127 /nfs/dbraw/zinc/72/91/27/721729127.db2.gz XVDQAOSCIVIJAE-HSZRJFAPSA-N 0 3 473.930 5.069 20 0 JKADHN FC1(F)CCN(c2c(Cl)ccc3ccc(Cl)nc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164913374 721734801 /nfs/dbraw/zinc/73/48/01/721734801.db2.gz USJWXWMRPXUIPT-QFIPXVFZSA-N 0 3 463.359 5.674 20 0 JKADHN COc1cc2c(cc1F)cc(Cl)nc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164909107 721739263 /nfs/dbraw/zinc/73/92/63/721739263.db2.gz BIGPZZGHJRMWLU-QHCPKHFHSA-N 0 3 476.930 5.169 20 0 JKADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCCC[C@H]3c3cccnc3)c21 ZINC001165045906 721963727 /nfs/dbraw/zinc/96/37/27/721963727.db2.gz DEERDUYVKFRQGV-QHCPKHFHSA-N 0 3 489.019 5.523 20 0 JKADHN Clc1ccc(Cl)c2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)ccc12 ZINC001164964420 722061974 /nfs/dbraw/zinc/06/19/74/722061974.db2.gz GPUPSFYFBFIALC-UHFFFAOYSA-N 0 3 457.405 5.056 20 0 JKADHN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981289 722107401 /nfs/dbraw/zinc/10/74/01/722107401.db2.gz KYFSZOYYTAZZBL-ISKFKSNPSA-N 0 3 484.978 5.069 20 0 JKADHN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975066 722111608 /nfs/dbraw/zinc/11/16/08/722111608.db2.gz JFWHTHWFUMLADG-JTSKRJEESA-N 0 3 493.385 5.209 20 0 JKADHN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975007 722111729 /nfs/dbraw/zinc/11/17/29/722111729.db2.gz JFWHTHWFUMLADG-HTAPYJJXSA-N 0 3 493.385 5.209 20 0 JKADHN Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973255 722126707 /nfs/dbraw/zinc/12/67/07/722126707.db2.gz GYBKMLPFWVDXSI-BKMJKUGQSA-N 0 3 486.019 5.073 20 0 JKADHN Cc1sc2nc(-c3cccs3)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164978929 722141828 /nfs/dbraw/zinc/14/18/28/722141828.db2.gz LBNFHGZWKPNXAP-SFTDATJTSA-N 0 3 491.686 5.159 20 0 JKADHN c1sc2nc(C3CC3)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164977064 722147979 /nfs/dbraw/zinc/14/79/79/722147979.db2.gz IJFOBVRNGNKYAG-NOZRDPDXSA-N 0 3 497.668 5.358 20 0 JKADHN Fc1ccc(Cn2ccc3c2ncnc3N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)cc1 ZINC001164996740 722201526 /nfs/dbraw/zinc/20/15/26/722201526.db2.gz WCGKDBRUNOPAKB-MHZLTWQESA-N 0 3 459.544 5.003 20 0 JKADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC4(CCCC4)CC3)c21 ZINC001164419645 718894155 /nfs/dbraw/zinc/89/41/55/718894155.db2.gz INWRELHBXYSKMF-UHFFFAOYSA-N 0 3 466.025 5.557 20 0 JKADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)CC2)CC1 ZINC001164618036 719033132 /nfs/dbraw/zinc/03/31/32/719033132.db2.gz RDXOVTKLNKLKHS-UHFFFAOYSA-N 0 3 495.973 5.330 20 0 JKADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)CC2)CC1 ZINC001164618124 719033346 /nfs/dbraw/zinc/03/33/46/719033346.db2.gz SMRWGDJBPACRTI-UHFFFAOYSA-N 0 3 495.973 5.330 20 0 JKADHN Cc1nc(CN2CCCC23CCN(c2nc(CN4CCCC4)nc4sc(C)c(C)c42)CC3)cs1 ZINC001164691733 719814013 /nfs/dbraw/zinc/81/40/13/719814013.db2.gz KBTKUPQLVYKLAL-UHFFFAOYSA-N 0 3 496.750 5.304 20 0 JKADHN Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164722194 720358836 /nfs/dbraw/zinc/35/88/36/720358836.db2.gz FIHHAHVFBFBZFR-DNQXCXABSA-N 0 3 459.956 5.338 20 0 JKADHN COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164730415 720398774 /nfs/dbraw/zinc/39/87/74/720398774.db2.gz XJCCLOILQPGQOJ-RPBOFIJWSA-N 0 3 471.992 5.207 20 0 JKADHN Fc1ccc(-c2nc3cc(Cl)ccc3c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164722623 720399367 /nfs/dbraw/zinc/39/93/67/720399367.db2.gz DSRDGKOSQNJVPV-RPWUZVMVSA-N 0 3 459.956 5.338 20 0 JKADHN COc1ccc(-c2nc3ccc(Cl)cc3c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164730408 720399378 /nfs/dbraw/zinc/39/93/78/720399378.db2.gz XJCCLOILQPGQOJ-JWQCQUIFSA-N 0 3 471.992 5.207 20 0 JKADHN Clc1ccc(-c2ccc(C3OCCCO3)c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2)cn1 ZINC001164734410 720418377 /nfs/dbraw/zinc/41/83/77/720418377.db2.gz RYMWVFYGTLVQDR-BJKOFHAPSA-N 0 3 477.008 5.086 20 0 JKADHN Clc1ccc(-c2ccc(C3OCCCO3)c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2)cn1 ZINC001164734412 720419120 /nfs/dbraw/zinc/41/91/20/720419120.db2.gz RYMWVFYGTLVQDR-DNQXCXABSA-N 0 3 477.008 5.086 20 0 JKADHN c1c(-c2ccccc2)sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c12 ZINC001164733488 720441529 /nfs/dbraw/zinc/44/15/29/720441529.db2.gz PQQPXLQFZPASCE-RPBOFIJWSA-N 0 3 490.636 5.669 20 0 JKADHN c1c(-c2ccccc2)sc2nc(-c3cccnc3)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c12 ZINC001164733474 720442606 /nfs/dbraw/zinc/44/26/06/720442606.db2.gz PQQPXLQFZPASCE-DQEYMECFSA-N 0 3 490.636 5.669 20 0 JKADHN c1sc2nc(C3CC3)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164734357 720458064 /nfs/dbraw/zinc/45/80/64/720458064.db2.gz RNUOYCGHHDPPOR-PKTZIBPZSA-N 0 3 453.615 5.484 20 0 JKADHN c1sc2nc(C3CC3)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164734304 720458499 /nfs/dbraw/zinc/45/84/99/720458499.db2.gz RNUOYCGHHDPPOR-DHIUTWEWSA-N 0 3 453.615 5.484 20 0 JKADHN Clc1ccc(-c2nnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c3ccccc32)cc1Cl ZINC001164735914 720460712 /nfs/dbraw/zinc/46/07/12/720460712.db2.gz ZJDDTRCZMKDROO-ZEQRLZLVSA-N 0 3 476.411 5.852 20 0 JKADHN Fc1cccc(-c2cc(C(F)(F)N3CCCn4cnc(CNC5CCC5)c4C3)cnc2Cl)c1 ZINC001164844406 720740622 /nfs/dbraw/zinc/74/06/22/720740622.db2.gz RQTJNGVLAHBEOU-UHFFFAOYSA-N 0 3 475.946 5.335 20 0 JKADHN FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164843997 720741808 /nfs/dbraw/zinc/74/18/08/720741808.db2.gz NPZQMUDRJOVNPE-UHFFFAOYSA-N 0 3 492.401 5.849 20 0 JKADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5ccccc5)nc(Cl)c4-c4ccccc4)C[C@@H]3C2)cn1 ZINC001164773200 721131154 /nfs/dbraw/zinc/13/11/54/721131154.db2.gz XCESZOCKLVXXRD-RPWUZVMVSA-N 0 3 485.035 5.156 20 0 JKADHN FC1(F)CCN(c2ncnc3scc(-c4ccccc4)c32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164903687 721694620 /nfs/dbraw/zinc/69/46/20/721694620.db2.gz BOAVEPJZMAMFIJ-VWLOTQADSA-N 0 3 477.584 5.491 20 0 JKADHN FC1(F)CCN(c2cc(Cl)nc3cc(Cl)ccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164903597 721698278 /nfs/dbraw/zinc/69/82/78/721698278.db2.gz AQWJYGXKEGTVFW-JOCHJYFZSA-N 0 3 463.359 5.674 20 0 JKADHN FC1(F)CCN(c2nc(Cl)nc3cccc(Cl)c32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906673 721704463 /nfs/dbraw/zinc/70/44/63/721704463.db2.gz NSDSNMZXGVEISF-OAQYLSRUSA-N 0 3 464.347 5.069 20 0 JKADHN Cc1ccc(-c2nc3ccccc3c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)n2)cc1 ZINC001164908101 721714863 /nfs/dbraw/zinc/71/48/63/721714863.db2.gz VROLVXRGIXWLCW-MUUNZHRXSA-N 0 3 485.582 5.738 20 0 JKADHN FC1(F)CCN(c2ncnc3cc(Cl)c(Cl)cc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904969 721717262 /nfs/dbraw/zinc/71/72/62/721717262.db2.gz FZNCTOYKAKLEMC-OAQYLSRUSA-N 0 3 464.347 5.069 20 0 JKADHN Cc1ccc(-c2nnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c3ccccc32)cc1 ZINC001164906826 721723048 /nfs/dbraw/zinc/72/30/48/721723048.db2.gz OPYIGJFXAKHHBC-MUUNZHRXSA-N 0 3 485.582 5.738 20 0 JKADHN Fc1ccc(-c2nnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c3ccccc32)cc1 ZINC001164911135 721724718 /nfs/dbraw/zinc/72/47/18/721724718.db2.gz IGRSQZMCVRYCDA-HHHXNRCGSA-N 0 3 489.545 5.569 20 0 JKADHN FC1(F)CCN(c2cc(SCc3ccccc3)ccn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164912292 721729261 /nfs/dbraw/zinc/72/92/61/721729261.db2.gz NTDOBHWLKRSRAN-VWLOTQADSA-N 0 3 466.601 5.507 20 0 JKADHN Cc1ccc(-c2nc3ccccc3c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)n2)s1 ZINC001164910656 721729295 /nfs/dbraw/zinc/72/92/95/721729295.db2.gz HPBPNRHLSAMIPU-SANMLTNESA-N 0 3 491.611 5.799 20 0 JKADHN Cc1nc(-c2ccccc2Cl)nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1C ZINC001164913105 721729912 /nfs/dbraw/zinc/72/99/12/721729912.db2.gz SWOPQUJEYWEZIS-VWLOTQADSA-N 0 3 483.994 5.547 20 0 JKADHN FC1(F)CCN(c2nnc(Cl)c3ccc(Cl)cc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164909086 721731136 /nfs/dbraw/zinc/73/11/36/721731136.db2.gz AWTJWMOUKVCREI-NRFANRHFSA-N 0 3 464.347 5.069 20 0 JKADHN FC1(F)CCN(c2nnc(Cl)c3ccc(Cl)cc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164909087 721731848 /nfs/dbraw/zinc/73/18/48/721731848.db2.gz AWTJWMOUKVCREI-OAQYLSRUSA-N 0 3 464.347 5.069 20 0 JKADHN COc1cc2c(cc1F)cc(Cl)nc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164909106 721739109 /nfs/dbraw/zinc/73/91/09/721739109.db2.gz BIGPZZGHJRMWLU-HSZRJFAPSA-N 0 3 476.930 5.169 20 0 JKADHN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961258 722054072 /nfs/dbraw/zinc/05/40/72/722054072.db2.gz WUXRLLMHAZLNON-UHFFFAOYSA-N 0 3 499.005 5.461 20 0 JKADHN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164960694 722059215 /nfs/dbraw/zinc/05/92/15/722059215.db2.gz HVAKZRFMAPBCRJ-UHFFFAOYSA-N 0 3 491.797 5.101 20 0 JKADHN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164966297 722062584 /nfs/dbraw/zinc/06/25/84/722062584.db2.gz QANLXXKJHCLCES-UHFFFAOYSA-N 0 3 488.966 5.054 20 0 JKADHN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975068 722112353 /nfs/dbraw/zinc/11/23/53/722112353.db2.gz JFWHTHWFUMLADG-VGSWGCGISA-N 0 3 493.385 5.209 20 0 JKADHN Clc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164982040 722115408 /nfs/dbraw/zinc/11/54/08/722115408.db2.gz VUFRZVHIFCRGTC-GJZUVCINSA-N 0 3 486.019 5.073 20 0 JKADHN Clc1nc2sc(-c3ccccc3)cc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984622 722132716 /nfs/dbraw/zinc/13/27/16/722132716.db2.gz XWVFAZVZCIPCNT-UNMCSNQZSA-N 0 3 492.048 5.134 20 0 JKADHN c1ccc(-c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc3ccccc32)cc1 ZINC001164982226 722138911 /nfs/dbraw/zinc/13/89/11/722138911.db2.gz RLEIPLKGRCZTIO-CUBQBAPOSA-N 0 3 450.586 5.024 20 0 JKADHN c1ccc(-c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc3ccccc32)cc1 ZINC001164982235 722138919 /nfs/dbraw/zinc/13/89/19/722138919.db2.gz RLEIPLKGRCZTIO-RBJSKKJNSA-N 0 3 450.586 5.024 20 0 JKADHN Clc1ccc(-c2csc3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c23)cc1 ZINC001164980329 722139963 /nfs/dbraw/zinc/13/99/63/722139963.db2.gz MWLBOEVUNLJNHV-NZQKXSOJSA-N 0 3 492.048 5.134 20 0 JKADHN Cc1ccc(-c2nnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c3ccccc32)cc1C ZINC001164974166 722140131 /nfs/dbraw/zinc/14/01/31/722140131.db2.gz CKLNDBJRQXBNBG-LSYYVWMOSA-N 0 3 479.628 5.036 20 0 JKADHN COc1ccc2c(c1)nc(N1CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C1)cc2-c1ccccc1 ZINC001164985541 722141366 /nfs/dbraw/zinc/14/13/66/722141366.db2.gz ZSQQIUUYOFEFPC-PWUYWRBVSA-N 0 3 480.612 5.033 20 0 JKADHN c1sc2nc(C3CC3)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164977065 722148170 /nfs/dbraw/zinc/14/81/70/722148170.db2.gz IJFOBVRNGNKYAG-UKILVPOCSA-N 0 3 497.668 5.358 20 0 JKADHN c1ccc(Oc2ccc(-c3ccc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@H]5C4)nn3)cc2)cc1 ZINC001164977962 722151041 /nfs/dbraw/zinc/15/10/41/722151041.db2.gz IUUWXWZICCNHSW-SVEHJYQDSA-N 0 3 493.611 5.058 20 0 JKADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC4(CC(F)C4)CC3)c21 ZINC001164416503 718884088 /nfs/dbraw/zinc/88/40/88/718884088.db2.gz XRWXBLQCTGVOIR-UHFFFAOYSA-N 0 3 469.988 5.115 20 0 JKADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)CC2)CC1 ZINC001164618879 719034134 /nfs/dbraw/zinc/03/41/34/719034134.db2.gz ZSBCWSQGESWOPN-UHFFFAOYSA-N 0 3 495.973 5.330 20 0 JKADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)CC2)CC1 ZINC001164618674 719036115 /nfs/dbraw/zinc/03/61/15/719036115.db2.gz YEJDJAWIGNUJFP-UHFFFAOYSA-N 0 3 484.012 5.252 20 0 JKADHN Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164632683 719111955 /nfs/dbraw/zinc/11/19/55/719111955.db2.gz ZXXZRXJEMNOMPI-XUZZJYLKSA-N 0 3 483.019 5.355 20 0 JKADHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3ccc(Cl)cc3)c2)c2c1CCNC2 ZINC001164681398 719653552 /nfs/dbraw/zinc/65/35/52/719653552.db2.gz NPLLVMRPWDHDHD-UHFFFAOYSA-N 0 3 480.390 5.335 20 0 JKADHN CC(C)c1ccc(-c2cc(C(F)(F)n3nc(CN(C)C(C)C)c4c3CNCC4)c(Cl)nn2)cc1 ZINC001164681451 719653741 /nfs/dbraw/zinc/65/37/41/719653741.db2.gz PMKBHWJQOUJUKX-UHFFFAOYSA-N 0 3 489.014 5.200 20 0 JKADHN Fc1ccccc1-c1nc2ccc(Cl)cc2c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164722191 720359987 /nfs/dbraw/zinc/35/99/87/720359987.db2.gz FIHHAHVFBFBZFR-BJKOFHAPSA-N 0 3 459.956 5.338 20 0 JKADHN c1ccc(SCc2nc3sc4c(c3c(N3CC[C@@H]5[C@@H]3CCN5Cc3cccnc3)n2)CCC4)cc1 ZINC001164733048 720439407 /nfs/dbraw/zinc/43/94/07/720439407.db2.gz PDUPUTXSJSCVRF-PKTZIBPZSA-N 0 3 499.709 5.721 20 0 JKADHN c1c(-c2ccccc2)sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c12 ZINC001164733481 720441843 /nfs/dbraw/zinc/44/18/43/720441843.db2.gz PQQPXLQFZPASCE-JWQCQUIFSA-N 0 3 490.636 5.669 20 0 JKADHN c1c(-c2ccccc2)sc2nc(-c3cccnc3)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c12 ZINC001164733484 720442392 /nfs/dbraw/zinc/44/23/92/720442392.db2.gz PQQPXLQFZPASCE-LOSJGSFVSA-N 0 3 490.636 5.669 20 0 JKADHN Clc1ccc(-c2nnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c3ccccc32)cc1Cl ZINC001164735912 720459545 /nfs/dbraw/zinc/45/95/45/720459545.db2.gz ZJDDTRCZMKDROO-DNQXCXABSA-N 0 3 476.411 5.852 20 0 JKADHN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838666 720737452 /nfs/dbraw/zinc/73/74/52/720737452.db2.gz VXFGWJSZMDURCC-UHFFFAOYSA-N 0 3 457.956 5.196 20 0 JKADHN Fc1ccc(-c2cc(C(F)(F)N3CCCn4cnc(CNC5CCC5)c4C3)cnc2Cl)cc1 ZINC001164841904 720740440 /nfs/dbraw/zinc/74/04/40/720740440.db2.gz APEAGZBZADQTJJ-UHFFFAOYSA-N 0 3 475.946 5.335 20 0 JKADHN Cn1cc(CN2CC[C@@H]3CN(c4nnc(-c5ccc(Cl)c(Cl)c5)c5ccccc54)C[C@@H]3C2)cn1 ZINC001164764106 721219479 /nfs/dbraw/zinc/21/94/79/721219479.db2.gz GHJSZGAZOCCNLV-UXHICEINSA-N 0 3 493.442 5.295 20 0 JKADHN FC1(F)CCN(c2ncnc3scc(-c4cccs4)c32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904149 721694930 /nfs/dbraw/zinc/69/49/30/721694930.db2.gz DIZBQYMAFLRFMQ-QHCPKHFHSA-N 0 3 483.613 5.553 20 0 JKADHN FC1(F)CCN(c2cc(Cl)nc3cc(Cl)ccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164903605 721698092 /nfs/dbraw/zinc/69/80/92/721698092.db2.gz AQWJYGXKEGTVFW-QFIPXVFZSA-N 0 3 463.359 5.674 20 0 JKADHN FC1(F)CCN(c2nc(Cl)nc3c(Cl)cccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904953 721700711 /nfs/dbraw/zinc/70/07/11/721700711.db2.gz IHOVGEBZWZYRJW-OAQYLSRUSA-N 0 3 464.347 5.069 20 0 JKADHN FC1(F)CCN(c2cc3nc(Cl)cnc3cc2Cl)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908520 721700724 /nfs/dbraw/zinc/70/07/24/721700724.db2.gz ZUTBTFCGSVJYON-OAQYLSRUSA-N 0 3 464.347 5.069 20 0 JKADHN FC1(F)CCN(c2nc(Cl)cc3c(Cl)ccnc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904217 721702633 /nfs/dbraw/zinc/70/26/33/721702633.db2.gz DUKCWEVURNUPAR-OAQYLSRUSA-N 0 3 464.347 5.069 20 0 JKADHN Cc1ccc(-c2nc3ccccc3c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)n2)cc1 ZINC001164908103 721713646 /nfs/dbraw/zinc/71/36/46/721713646.db2.gz VROLVXRGIXWLCW-NDEPHWFRSA-N 0 3 485.582 5.738 20 0 JKADHN Fc1ccc(-c2csc3ncnc(N4CCC(F)(F)[C@]5(CCN(Cc6ccccn6)C5)C4)c23)cc1 ZINC001164906169 721722755 /nfs/dbraw/zinc/72/27/55/721722755.db2.gz KHMUHAQESPXVNS-VWLOTQADSA-N 0 3 495.574 5.630 20 0 JKADHN Fc1ccc(-c2ccc(Cl)nn2)c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164913799 721730156 /nfs/dbraw/zinc/73/01/56/721730156.db2.gz XVDQAOSCIVIJAE-QHCPKHFHSA-N 0 3 473.930 5.069 20 0 JKADHN FC(F)c1nc2ccc(Cl)cc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164909075 721732649 /nfs/dbraw/zinc/73/26/49/721732649.db2.gz AUVSPVKYGUWTPJ-QFIPXVFZSA-N 0 3 479.909 5.354 20 0 JKADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164909127 721736129 /nfs/dbraw/zinc/73/61/29/721736129.db2.gz BYLGADWDPLALFJ-QHCPKHFHSA-N 0 3 478.921 5.608 20 0 JKADHN FC1(F)CCN(c2c(Cl)ccc3c(Cl)ncnc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164913492 721736639 /nfs/dbraw/zinc/73/66/39/721736639.db2.gz WJLAWXLLKYOAKG-NRFANRHFSA-N 0 3 464.347 5.069 20 0 JKADHN c1ccc(COc2ccc3nc(N4CCC5(CC4)COCCN(Cc4ccncc4)C5)ccc3c2)cc1 ZINC001164964318 722057414 /nfs/dbraw/zinc/05/74/14/722057414.db2.gz UQVXHXJCYWVQOU-UHFFFAOYSA-N 0 3 494.639 5.328 20 0 JKADHN c1ccc(-c2cc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc3ccccc32)cc1 ZINC001164960711 722059455 /nfs/dbraw/zinc/05/94/55/722059455.db2.gz IQCIYAAFFCESRE-UHFFFAOYSA-N 0 3 464.613 5.416 20 0 JKADHN Clc1ccc(-c2nc3ccccc3c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164982045 722115598 /nfs/dbraw/zinc/11/55/98/722115598.db2.gz VUFRZVHIFCRGTC-NVQXNPDNSA-N 0 3 486.019 5.073 20 0 JKADHN COc1ccc2c(c1)nc(N1CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C1)cc2-c1ccccc1 ZINC001164985539 722141856 /nfs/dbraw/zinc/14/18/56/722141856.db2.gz ZSQQIUUYOFEFPC-OUTSHDOLSA-N 0 3 480.612 5.033 20 0 JKADHN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cnc2Cl)c1 ZINC001164972622 722158221 /nfs/dbraw/zinc/15/82/21/722158221.db2.gz ISYDKWUCSUKCTL-RDGATRHJSA-N 0 3 499.005 5.378 20 0 JKADHN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974713 722158736 /nfs/dbraw/zinc/15/87/36/722158736.db2.gz PGWLEDGKWUTHHW-GHTZIAJQSA-N 0 3 491.007 5.131 20 0 JKADHN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974720 722159014 /nfs/dbraw/zinc/15/90/14/722159014.db2.gz PGWLEDGKWUTHHW-RXVVDRJESA-N 0 3 491.007 5.131 20 0 JKADHN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974724 722159177 /nfs/dbraw/zinc/15/91/77/722159177.db2.gz PGWLEDGKWUTHHW-WIYYLYMNSA-N 0 3 491.007 5.131 20 0 JKADHN Fc1cccc(CN2CC[C@]23CCCN(c2ccc(-c4ccc(C5OCCCO5)cc4)cn2)C3)c1 ZINC001164993710 722205808 /nfs/dbraw/zinc/20/58/08/722205808.db2.gz AANFJAXTCLWGIO-LJAQVGFWSA-N 0 3 473.592 5.568 20 0 JKADHN