smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H](CC(=O)CCc1ccc(O)c(OCc2ccc3cc(O)ccc3c2)c1)OCNC ZINC000085597499 560063068 /nfs/dbraw/zinc/06/30/68/560063068.db2.gz SLRHYUKVSDJXQM-RUZDIDTESA-N 0 3 451.563 5.084 1 0 biogenic,in-vitro JKAFHN CC(C)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4cc(Cl)ccc34)CC2)C1=O ZINC000000598062 562918312 /nfs/dbraw/zinc/91/83/12/562918312.db2.gz NIMNILHFXBBMBV-UHFFFAOYSA-N 0 3 483.031 5.748 1 0 JKAFHN Oc1ccc(-c2sc3cc(O)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000001541973 562920892 /nfs/dbraw/zinc/92/08/92/562920892.db2.gz SGGUFWNHZPVKPN-UHFFFAOYSA-N 0 3 459.611 6.435 1 0 JKAFHN O=c1cc(NCCCN[C@H]2CCNc3c(Br)cc(Cl)cc32)[nH]c2ccccc12 ZINC000001547743 562921090 /nfs/dbraw/zinc/92/10/90/562921090.db2.gz JAJMWNGCEUXRFG-KRWDZBQOSA-N 0 3 461.791 5.305 1 0 JKAFHN O=c1c(-c2ccccc2)c(SCCN2CCCC2)n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000001655234 562922720 /nfs/dbraw/zinc/92/27/20/562922720.db2.gz LDBMQBJQVLQAKQ-UHFFFAOYSA-N 0 3 485.678 6.213 1 0 JKAFHN CC(=O)c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000002002847 562924373 /nfs/dbraw/zinc/92/43/73/562924373.db2.gz MHZGNGBSYZVXAY-UHFFFAOYSA-N 0 3 499.632 6.572 1 0 JKAFHN Cc1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000002002807 562924428 /nfs/dbraw/zinc/92/44/28/562924428.db2.gz DGMUKISOCMQSLX-UHFFFAOYSA-N 0 3 471.622 6.678 1 0 JKAFHN CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c3ccccc3n(C)c2C(C)C)cc1 ZINC000003787715 562928060 /nfs/dbraw/zinc/92/80/60/562928060.db2.gz TXEGGLHMNUOHQD-UHFFFAOYSA-N 0 3 498.733 6.806 1 0 JKAFHN Oc1ccc2c(c1)CC[C@@]21C=C(c2ccc(OCCN3CCCCC3)cc2)c2cc(O)ccc21 ZINC000003816594 562928954 /nfs/dbraw/zinc/92/89/54/562928954.db2.gz MHJYBRXRPIGQJQ-SSEXGKCCSA-N 0 3 453.582 5.640 1 0 JKAFHN C[C@H]1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2csc3cc(F)ccc32)CC1 ZINC000003929032 562930007 /nfs/dbraw/zinc/93/00/07/562930007.db2.gz SYTKLFTVOOOLQR-GOSISDBHSA-N 0 3 461.672 5.177 1 0 JKAFHN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CCCN(Cc3ccncc3)C2)CC1 ZINC000003955848 562930843 /nfs/dbraw/zinc/93/08/43/562930843.db2.gz LTXGBLVNRQJCGS-UHFFFAOYSA-N 0 3 485.472 5.638 1 0 JKAFHN O=C1N(CCC2CCN(C[C@@H]3COc4ccccc4O3)CC2)CCN1c1c(Cl)cccc1Cl ZINC000003952982 562930846 /nfs/dbraw/zinc/93/08/46/562930846.db2.gz ZJFDCQNJERMIKE-LJQANCHMSA-N 0 3 490.431 5.178 1 0 JKAFHN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1 ZINC000003955930 562930908 /nfs/dbraw/zinc/93/09/08/562930908.db2.gz JYYYAFRETOKOII-NRFANRHFSA-N 0 3 471.445 5.248 1 0 JKAFHN COc1ccc([C@]2(C)CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000003987178 562931565 /nfs/dbraw/zinc/93/15/65/562931565.db2.gz ODINENOTSWRONR-VWLOTQADSA-N 0 3 477.432 5.561 1 0 JKAFHN COc1ccc(N2Cc3c(c4cc(Cl)ccc4n3C)C2=O)cc1OCCN1CCC(C)CC1 ZINC000003987584 562931598 /nfs/dbraw/zinc/93/15/98/562931598.db2.gz FWYDEFAULIELSC-UHFFFAOYSA-N 0 3 467.997 5.111 1 0 JKAFHN Cc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000003989404 562931643 /nfs/dbraw/zinc/93/16/43/562931643.db2.gz QPHKHBUNEICWPT-UHFFFAOYSA-N 0 3 498.454 5.965 1 0 JKAFHN O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000003989383 562931672 /nfs/dbraw/zinc/93/16/72/562931672.db2.gz CKOGHPCHAYJBFY-JOCHJYFZSA-N 0 3 476.646 5.072 1 0 JKAFHN O=C(CCc1ccc(Cl)cc1Cl)Nc1c(Cl)ccc2nc(N3CCNCC3)ccc21 ZINC000006745269 562938387 /nfs/dbraw/zinc/93/83/87/562938387.db2.gz ZOZCOBFRWRSKQM-UHFFFAOYSA-N 0 3 463.796 5.176 1 0 JKAFHN Clc1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000008679916 562950782 /nfs/dbraw/zinc/95/07/82/562950782.db2.gz IJZPIUWYDJXKGL-RKKUSFCFSA-N 0 3 478.039 6.819 3 0 JKAFHN COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2ccc(-c4ccc(C)o4)cc2)CCO3)C1 ZINC000011980090 562958187 /nfs/dbraw/zinc/95/81/87/562958187.db2.gz PQOIHLKJZORAIP-HSZRJFAPSA-N 0 3 474.601 5.148 1 0 JKAFHN CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1ccc3cccc(F)c3n1)CC2 ZINC000012022196 562958447 /nfs/dbraw/zinc/95/84/47/562958447.db2.gz WCCSPNRMISKHQT-SXOMAYOGSA-N 0 3 485.559 5.000 1 0 JKAFHN O=C(CCCN1CCC2(CC1)C(=O)N(CCc1ccccc1)CN2c1ccccc1)c1ccc(F)cc1 ZINC000013448523 562964451 /nfs/dbraw/zinc/96/44/51/562964451.db2.gz BBIKLYNFXVJLRQ-UHFFFAOYSA-N 0 3 499.630 5.172 1 0 JKAFHN CCCN(CCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1 ZINC000013451421 562964735 /nfs/dbraw/zinc/96/47/35/562964735.db2.gz GPFUTUJQFMQKIL-UHFFFAOYSA-N 0 3 456.652 5.786 1 0 JKAFHN CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1 ZINC000013451447 562964739 /nfs/dbraw/zinc/96/47/39/562964739.db2.gz BSARWJMYHLNELF-UHFFFAOYSA-N 0 3 470.679 6.006 1 0 JKAFHN CCCCc1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 ZINC000013451413 562964751 /nfs/dbraw/zinc/96/47/51/562964751.db2.gz XDXZABWKMNMDIL-UHFFFAOYSA-N 0 3 498.733 6.786 1 0 JKAFHN CN(C)Cc1ccc(CSCCCCCCCCCCSCc2ccc(CN(C)C)o2)o1 ZINC000013452595 562964826 /nfs/dbraw/zinc/96/48/26/562964826.db2.gz SXUSJKARTRGOFL-UHFFFAOYSA-N 0 3 480.784 7.283 1 0 JKAFHN O=C1Nc2cccc3c2[C@@]1(CCCCN1CCN(c2ccccc2C(F)(F)F)CC1)CCC3 ZINC000013473689 562966346 /nfs/dbraw/zinc/96/63/46/562966346.db2.gz HYXNSCCPMMIWRC-RUZDIDTESA-N 0 3 457.540 5.224 1 0 JKAFHN COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CNC(C)(C)C)o2)ccc1-c1cnco1 ZINC000013473609 562966395 /nfs/dbraw/zinc/96/63/95/562966395.db2.gz LACGBVBKCWWDIH-UHFFFAOYSA-N 0 3 475.549 5.100 1 0 JKAFHN O=c1cc(NCCCNCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000013487760 562967927 /nfs/dbraw/zinc/96/79/27/562967927.db2.gz PDHVQCVGBAIYEA-UHFFFAOYSA-N 0 3 465.189 5.057 1 0 JKAFHN Nc1cc(Br)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013488001 562968054 /nfs/dbraw/zinc/96/80/54/562968054.db2.gz SLARGICHHUPLQU-FPOVZHCZSA-N 0 3 486.479 5.168 1 0 JKAFHN COc1cccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc54)CC3)cc21 ZINC000013490095 562969182 /nfs/dbraw/zinc/96/91/82/562969182.db2.gz SYWVBRYJGFTBHV-IBGZPJMESA-N 0 3 450.604 5.319 1 0 JKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)N1c2ccc(O)cc2CC[C@H]1c1ccccc1 ZINC000013490106 562969200 /nfs/dbraw/zinc/96/92/00/562969200.db2.gz DMRMYRIKDDOVCY-MHZLTWQESA-N 0 3 456.586 5.591 1 0 JKAFHN Fc1ccc(C(OCCC2CCN(C/C=C/c3cccs3)CC2)c2ccc(F)cc2)cc1 ZINC000013491395 562969404 /nfs/dbraw/zinc/96/94/04/562969404.db2.gz REFWYZSDWMHZTK-HNQUOIGGSA-N 0 3 453.598 6.948 1 0 JKAFHN Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1 ZINC000013491397 562969408 /nfs/dbraw/zinc/96/94/08/562969408.db2.gz GTWLNJLBBONLRD-UHFFFAOYSA-N 0 3 461.552 7.119 1 0 JKAFHN C[C@]1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1 ZINC000013523312 562971039 /nfs/dbraw/zinc/97/10/39/562971039.db2.gz KRKKFOHLNPZSHV-LJAQVGFWSA-N 0 3 460.593 5.722 1 0 JKAFHN C[C@@]1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(Cl)c1 ZINC000013523382 562971110 /nfs/dbraw/zinc/97/11/10/562971110.db2.gz IOFOGLZEKKPQKF-GDLZYMKVSA-N 0 3 477.048 6.237 1 0 JKAFHN COc1cc2nccc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OC ZINC000013528827 562971957 /nfs/dbraw/zinc/97/19/57/562971957.db2.gz AKMBGXASUFXUGK-UHFFFAOYSA-N 0 3 484.556 5.398 1 0 JKAFHN O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CNC(c1ccccc1)c1ccccc1 ZINC000013529357 562972077 /nfs/dbraw/zinc/97/20/77/562972077.db2.gz KYWRASYTPSAUIR-MHZLTWQESA-N 0 3 465.593 5.621 1 0 JKAFHN C[C@H]1C[C@H](c2cc3ccc(Cl)cc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535707 562972699 /nfs/dbraw/zinc/97/26/99/562972699.db2.gz KXKBDSUJUPNHRP-HQRMLTQVSA-N 0 3 455.023 6.044 1 0 JKAFHN COc1cc(Cl)ccc1N1CCN(CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000013586548 562976671 /nfs/dbraw/zinc/97/66/71/562976671.db2.gz STJAWCYYILSFEK-DEOSSOPVSA-N 0 3 470.057 5.225 1 0 JKAFHN COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5oc(C)cc54)[C@@H](C)C3)cc21 ZINC000013587203 562976946 /nfs/dbraw/zinc/97/69/46/562976946.db2.gz NNWMNOCTZDIGBT-SXLOBPIMSA-N 0 3 465.615 5.972 1 0 JKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CC[C@@H](c3cc4cc(Cl)ccc4s3)C[C@@H]2C)[nH]1 ZINC000013587196 562976952 /nfs/dbraw/zinc/97/69/52/562976952.db2.gz KLXUNZUHLYIIMJ-UEXGIBASSA-N 0 3 469.050 6.352 1 0 JKAFHN CCCN(Cc1sc(Nc2c(C)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587337 562976997 /nfs/dbraw/zinc/97/69/97/562976997.db2.gz JELCIOWJPUALOT-UHFFFAOYSA-N 0 3 452.373 7.143 1 0 JKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Cl)c(OCCc2cccc(Cl)c2)c1 ZINC000013643351 562980477 /nfs/dbraw/zinc/98/04/77/562980477.db2.gz XKBUEUQVUBZXMJ-UHFFFAOYSA-N 0 3 484.427 5.656 1 0 JKAFHN Cc1ccc(O)c(N(CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(C)C)c1 ZINC000013651773 562981668 /nfs/dbraw/zinc/98/16/68/562981668.db2.gz CVRPOPFQVQCUBG-UHFFFAOYSA-N 0 3 472.673 5.954 1 0 JKAFHN CN1CCCC[C@H]1Cn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21 ZINC000013672802 562982756 /nfs/dbraw/zinc/98/27/56/562982756.db2.gz UMWURODBAKCARO-SFHVURJKSA-N 0 3 461.403 6.272 1 0 JKAFHN O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000013675642 562983273 /nfs/dbraw/zinc/98/32/73/562983273.db2.gz YYNNNHICPRTURU-UHFFFAOYSA-N 0 3 454.618 5.926 1 0 JKAFHN O=C(NCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1[nH]nc2ccccc21 ZINC000013675680 562983289 /nfs/dbraw/zinc/98/32/89/562983289.db2.gz XYRVXZVCEIJZMQ-UHFFFAOYSA-N 0 3 490.051 6.436 1 0 JKAFHN O=C(CCCCCNc1c2ccccc2nc2c1CCCC2)NCCc1c[nH]c2ccc(O)cc12 ZINC000013679425 562984024 /nfs/dbraw/zinc/98/40/24/562984024.db2.gz DIHZVMMPFILOAT-UHFFFAOYSA-N 0 3 470.617 5.632 1 0 JKAFHN CC(C)N1CCN(CCN2CCC(c3cn(-c4ccccc4)c4cc(Cl)ccc34)CC2)C1=O ZINC000013731196 562985212 /nfs/dbraw/zinc/98/52/12/562985212.db2.gz DRSRXSCHUHUFBD-UHFFFAOYSA-N 0 3 465.041 5.609 1 0 JKAFHN CC(C)c1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccc(F)cc3)c2c1 ZINC000013731174 562985223 /nfs/dbraw/zinc/98/52/23/562985223.db2.gz KSBIMIXXUPKBLA-UHFFFAOYSA-N 0 3 490.667 6.218 1 0 JKAFHN O=C(NCCCN1CCC(c2noc3cc(Cl)ccc32)CC1)c1nsc2ccccc21 ZINC000013737873 562986273 /nfs/dbraw/zinc/98/62/73/562986273.db2.gz TZNZWIRUAXXIMC-UHFFFAOYSA-N 0 3 454.983 5.090 1 0 JKAFHN Cc1c(CCN2CCN(c3cc(C)ccn3)CC2)c2cccc3c2n1[C@H](C1CCCCC1)CC3 ZINC000013740438 562986837 /nfs/dbraw/zinc/98/68/37/562986837.db2.gz SNSQNTMMECTXHN-NDEPHWFRSA-N 0 3 456.678 6.085 1 0 JKAFHN COC(=O)c1ccccc1SC[C@H](CN(C)C)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000013741938 562987084 /nfs/dbraw/zinc/98/70/84/562987084.db2.gz ZCKJJEAXMUMRLO-QFIPXVFZSA-N 0 3 463.599 5.205 1 0 JKAFHN O=C1OC2(CN1Cc1cccc3ccccc31)CCN(CCc1c[nH]c3ccc(F)cc13)CC2 ZINC000013743432 562987757 /nfs/dbraw/zinc/98/77/57/562987757.db2.gz SJRNWWHLGKLIJO-UHFFFAOYSA-N 0 3 457.549 5.490 1 0 JKAFHN O=C1OC2(CN1Cc1ccc3ccccc3c1)CCN(CCc1c[nH]c3ccc(F)cc13)CC2 ZINC000013743431 562987763 /nfs/dbraw/zinc/98/77/63/562987763.db2.gz FDTLBJGKWZTQIB-UHFFFAOYSA-N 0 3 457.549 5.490 1 0 JKAFHN C[C@H]1SC(C)(C)C(=O)N1CCCCN1CCN(c2cn(-c3ccc(F)cc3)c3ccccc23)CC1 ZINC000013759418 562989229 /nfs/dbraw/zinc/98/92/29/562989229.db2.gz YGZBJEJSQMGESX-OAQYLSRUSA-N 0 3 494.680 5.372 1 0 JKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(-c6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000013780466 562991802 /nfs/dbraw/zinc/99/18/02/562991802.db2.gz KLYHOTNAJOEIKN-SSHYCOHZSA-N 0 3 490.603 5.240 1 0 JKAFHN CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccccc1 ZINC000013781681 562992288 /nfs/dbraw/zinc/99/22/88/562992288.db2.gz XKMYQBUHKIAVCW-SANMLTNESA-N 0 3 468.707 6.083 1 0 JKAFHN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3nccs3)n2)CC1 ZINC000013782355 562992496 /nfs/dbraw/zinc/99/24/96/562992496.db2.gz NTCYZWZXRNJMAE-UHFFFAOYSA-N 0 3 461.418 5.154 1 0 JKAFHN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cccs3)n2)CC1 ZINC000013782354 562992512 /nfs/dbraw/zinc/99/25/12/562992512.db2.gz CKSMNIPCJNWJND-UHFFFAOYSA-N 0 3 460.430 5.759 1 0 JKAFHN Clc1ccc([C@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000013812925 562995823 /nfs/dbraw/zinc/99/58/23/562995823.db2.gz FEVUYPDYBLXQOV-IKKIGVOYSA-N 0 3 479.027 6.214 3 0 JKAFHN O=C(c1cccs1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000013817781 562996841 /nfs/dbraw/zinc/99/68/41/562996841.db2.gz MMFZKXHXJMXHLL-UHFFFAOYSA-N 0 3 455.421 5.822 1 0 JKAFHN O=C([O-])[C@@H](C1CCC1)[N@@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819437 562997240 /nfs/dbraw/zinc/99/72/40/562997240.db2.gz QAAUGXPLWDIPBN-FRXPANAUSA-N 0 3 474.689 5.690 1 0 JKAFHN O=C([O-])[C@@H](C1CCC1)[N@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819437 562997241 /nfs/dbraw/zinc/99/72/41/562997241.db2.gz QAAUGXPLWDIPBN-FRXPANAUSA-N 0 3 474.689 5.690 1 0 JKAFHN O=C([O-])[C@@H](C1CCCC1)[N@@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819441 562997295 /nfs/dbraw/zinc/99/72/95/562997295.db2.gz KQPOJCCWDXCAIU-OJDZSJEKSA-N 0 3 488.716 6.080 1 0 JKAFHN O=C([O-])[C@@H](C1CCCC1)[N@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819441 562997297 /nfs/dbraw/zinc/99/72/97/562997297.db2.gz KQPOJCCWDXCAIU-OJDZSJEKSA-N 0 3 488.716 6.080 1 0 JKAFHN O=C(CCCN1CCN(c2cccc(F)c2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820070 562997322 /nfs/dbraw/zinc/99/73/22/562997322.db2.gz NGZRXWCEOKTPGN-FFCVWOAGSA-N 0 3 481.681 5.498 1 0 JKAFHN O=C(CCCN1CCN(c2ccc(F)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@@H]21 ZINC000013820119 562997378 /nfs/dbraw/zinc/99/73/78/562997378.db2.gz BHRXKDVRJKFVJL-YGZVCBRSSA-N 0 3 481.681 5.498 1 0 JKAFHN O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820067 562997408 /nfs/dbraw/zinc/99/74/08/562997408.db2.gz GSFHBUIMEQSHCH-FFCVWOAGSA-N 0 3 498.136 6.012 1 0 JKAFHN CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cc3ccccn32)cc1 ZINC000013827195 562998585 /nfs/dbraw/zinc/99/85/85/562998585.db2.gz XVKSCRWGZPSWLD-UHFFFAOYSA-N 0 3 484.706 6.567 1 0 JKAFHN CC(C)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834307 563000958 /nfs/dbraw/zinc/00/09/58/563000958.db2.gz KVSMDTMVLWQENJ-UHFFFAOYSA-N 0 3 499.676 7.493 1 0 JKAFHN COc1ccc2c(c1)sc(-c1ccccc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834301 563001004 /nfs/dbraw/zinc/00/10/04/563001004.db2.gz GPKIORIMKNVYJP-UHFFFAOYSA-N 0 3 471.622 6.673 1 0 JKAFHN Cc1cc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)ccc1O ZINC000013834315 563001006 /nfs/dbraw/zinc/00/10/06/563001006.db2.gz UJAZLJYGTKUQPF-UHFFFAOYSA-N 0 3 487.621 6.384 1 0 JKAFHN O=C(NC1CCN(CC2=CCCCCCC2)CC1)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc21 ZINC000013862621 563002962 /nfs/dbraw/zinc/00/29/62/563002962.db2.gz YWCUXSPKJLKOPM-UHFFFAOYSA-N 0 3 499.482 7.092 1 0 JKAFHN CN(C[C@H](CCN1CCC(c2ccccc2)CC1)c1cccs1)S(=O)(=O)c1ccccc1 ZINC000013913017 563004607 /nfs/dbraw/zinc/00/46/07/563004607.db2.gz BWMWEXXFAXIRIO-DEOSSOPVSA-N 0 3 468.688 5.422 1 0 JKAFHN O=C([O-])[C@H](c1ccccc1)N1CCC[C@@H](C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000013974806 563004813 /nfs/dbraw/zinc/00/48/13/563004813.db2.gz FLDDBSYUKQDTDX-UUOWRZLLSA-N 0 3 477.432 5.375 1 0 JKAFHN COc1ccc([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000013977826 563005133 /nfs/dbraw/zinc/00/51/33/563005133.db2.gz QFCKEEGOMLEOKN-LJQANCHMSA-N 0 3 463.405 5.387 1 0 JKAFHN O[C@@H]1CCCc2nc3ccccc3c(NCCCC(c3cccc(F)c3)c3cccc(F)c3)c21 ZINC000014946485 563006790 /nfs/dbraw/zinc/00/67/90/563006790.db2.gz RMJNBGWBTQUGAS-HHHXNRCGSA-N 0 3 458.552 6.907 1 0 JKAFHN c1ccc2c(c1)nc1c(c2NCCCCCCSc2c3ccccc3nc3c2CCCC3)CCCC1 ZINC000014947271 563006902 /nfs/dbraw/zinc/00/69/02/563006902.db2.gz IADLMALHTDAHCP-UHFFFAOYSA-N 0 3 495.736 8.305 1 0 JKAFHN CC(C)N1CC[C@H](NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1 ZINC000014959678 563008290 /nfs/dbraw/zinc/00/82/90/563008290.db2.gz XDOHRNCCDDHHBW-KRWDZBQOSA-N 0 3 469.010 5.272 1 0 JKAFHN CC(=O)NCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 ZINC000014978671 563010831 /nfs/dbraw/zinc/01/08/31/563010831.db2.gz MAAGOEXGVQQQHU-ZIADKAODSA-N 0 3 458.602 5.208 1 0 JKAFHN COc1ccc(-c2sc([N-]c3ccccc3)n[n+]2-c2ccc(F)cc2)cc1Br ZINC000015936830 563012236 /nfs/dbraw/zinc/01/22/36/563012236.db2.gz JIBHXAVMDBQDNN-UHFFFAOYSA-N 0 3 457.348 5.741 3 0 JKAFHN Cc1ccc(O)c(NCCCN2CCCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000022441640 563016834 /nfs/dbraw/zinc/01/68/34/563016834.db2.gz ZUGSKSLEZRYICG-MUUNZHRXSA-N 0 3 464.053 5.953 1 0 JKAFHN CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc65)ccc4[nH]3)ccc2Cl)CC1 ZINC000022878364 563017361 /nfs/dbraw/zinc/01/73/61/563017361.db2.gz NVFBMDKKXKOASI-UHFFFAOYSA-N 0 3 499.018 6.048 1 0 JKAFHN CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ccnc6ccccc65)cc4[nH]3)ccc2Cl)CC1 ZINC000022878364 563017362 /nfs/dbraw/zinc/01/73/62/563017362.db2.gz NVFBMDKKXKOASI-UHFFFAOYSA-N 0 3 499.018 6.048 1 0 JKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccccc4)C[C@H]23)CC1 ZINC000022935398 563018912 /nfs/dbraw/zinc/01/89/12/563018912.db2.gz OTUYJHFHWAHNGR-AVPJRLCVSA-N 0 3 485.047 5.071 1 0 JKAFHN C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1C/C=C/c1ccccc1 ZINC000022938517 563019251 /nfs/dbraw/zinc/01/92/51/563019251.db2.gz PAMWYTGSEASMOS-GOHAXOGJSA-N 0 3 476.611 6.179 1 0 JKAFHN C[C@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000026146469 563022309 /nfs/dbraw/zinc/02/23/09/563022309.db2.gz VWYDECMNCXHJOZ-GBXCKJPGSA-N 0 3 479.045 5.734 1 0 JKAFHN Oc1ccc2c(c1)sc(C1CCCC1)c2[C@@H](O)c1ccc(OCCN2CCCCC2)cc1 ZINC000026171758 563023315 /nfs/dbraw/zinc/02/33/15/563023315.db2.gz PVVLWCPJHYTIRO-SANMLTNESA-N 0 3 451.632 6.211 1 0 JKAFHN CCNC(=O)c1ccc(C(c2ccc(O)cc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2Cl)cc1 ZINC000026185799 563024074 /nfs/dbraw/zinc/02/40/74/563024074.db2.gz RXYINDLSJYTPSX-WMPKNSHKSA-N 0 3 487.043 6.424 1 0 JKAFHN FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ccccc3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000026186040 563024089 /nfs/dbraw/zinc/02/40/89/563024089.db2.gz JFKWNUOGNLIQPF-DQEYMECFSA-N 0 3 493.491 7.647 1 0 JKAFHN O=c1oc2ccccc2n1CCCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026187647 563024176 /nfs/dbraw/zinc/02/41/76/563024176.db2.gz XYBZNBKNSSNTBJ-ILBGXUMGSA-N 0 3 475.539 5.663 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCCC2)cc1 ZINC000026259289 563024659 /nfs/dbraw/zinc/02/46/59/563024659.db2.gz JBSWJHDISRKUBT-LOYHVIPDSA-N 0 3 471.641 6.647 1 0 JKAFHN C[C@H](CNCc1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1)c1ccccc1 ZINC000026497033 563028874 /nfs/dbraw/zinc/02/88/74/563028874.db2.gz MARYJKFBRZVLCP-QGZVFWFLSA-N 0 3 492.505 5.164 1 0 JKAFHN Cc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1 ZINC000026508340 563029561 /nfs/dbraw/zinc/02/95/61/563029561.db2.gz TUWAJCMXXFZLOS-UHFFFAOYSA-N 0 3 469.581 6.865 1 0 JKAFHN CCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1 ZINC000026568780 563029884 /nfs/dbraw/zinc/02/98/84/563029884.db2.gz OAJSYSKCXTXABR-UHFFFAOYSA-N 0 3 483.608 7.119 1 0 JKAFHN CC[NH+](CC)CCOc1ccc(/C(=C(/Br)c2ccccc2)c2ccc([O-])cc2)cc1 ZINC000026568566 563029898 /nfs/dbraw/zinc/02/98/98/563029898.db2.gz DEEWXNZAAGBXOF-OCEACIFDSA-N 0 3 466.419 6.424 1 0 JKAFHN CCc1c(-c2ccccc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1 ZINC000026568979 563029958 /nfs/dbraw/zinc/02/99/58/563029958.db2.gz ZKPUWBASAVMSDI-UHFFFAOYSA-N 0 3 467.609 7.413 1 0 JKAFHN CCCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(OCCN2CCCCC2)cc1 ZINC000026572661 563030103 /nfs/dbraw/zinc/03/01/03/563030103.db2.gz JGJPGWCZPKIATB-UHFFFAOYSA-N 0 3 497.635 7.509 1 0 JKAFHN Oc1ccc2c(c1)S[C@@H](c1ccccc1O)[C@@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026653772 563032250 /nfs/dbraw/zinc/03/22/50/563032250.db2.gz KGLHEVXFWIJETJ-SXOMAYOGSA-N 0 3 463.599 5.930 1 0 JKAFHN Oc1ccc2c(c1)S[C@H](c1ccc(F)cc1)[C@@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026657061 563032544 /nfs/dbraw/zinc/03/25/44/563032544.db2.gz PXQIHYPEOSFFBY-KAYWLYCHSA-N 0 3 465.590 6.363 1 0 JKAFHN COc1ccc([C@@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000026661000 563032687 /nfs/dbraw/zinc/03/26/87/563032687.db2.gz DVAHOHVVLYMDAM-NSOVKSMOSA-N 0 3 477.626 6.233 1 0 JKAFHN Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Br)cc3)[C@@H](C)C2)CC1 ZINC000026993411 563038804 /nfs/dbraw/zinc/03/88/04/563038804.db2.gz RKSSDOVJRLDBOC-VXKWHMMOSA-N 0 3 498.509 5.438 1 0 JKAFHN COc1ccc(CCC2(O)CCN(C)CC2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1 ZINC000027189478 563040964 /nfs/dbraw/zinc/04/09/64/563040964.db2.gz VSZPVDAIEVGIFE-UHFFFAOYSA-N 0 3 480.555 5.337 1 0 JKAFHN O=C(c1ccc(F)cc1)C1CCN(CCS[C@@H]2Cc3ccccc3Oc3ccccc32)CC1 ZINC000027554729 563046296 /nfs/dbraw/zinc/04/62/96/563046296.db2.gz DGQLJIIOAAELJV-HHHXNRCGSA-N 0 3 461.602 6.543 1 0 JKAFHN CC/C(=C\c1cccnc1)C(=O)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027649486 563048504 /nfs/dbraw/zinc/04/85/04/563048504.db2.gz WTBGOQXBRKIZQW-SOYKGTTHSA-N 0 3 482.672 5.179 1 0 JKAFHN Cc1ccc([C@H](c2ccccc2)N2CCN(CCCCNC(=O)/C=C/c3cccnc3)CC2)cc1C ZINC000027655175 563049013 /nfs/dbraw/zinc/04/90/13/563049013.db2.gz LZVYXXLTWLMUDK-CRWMHBFFSA-N 0 3 482.672 5.015 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)=C2c1ccccc1OCCN1CCCC1 ZINC000027655186 563049016 /nfs/dbraw/zinc/04/90/16/563049016.db2.gz VFBLIZGMNCRFPR-UHFFFAOYSA-N 0 3 455.598 6.300 1 0 JKAFHN CCCc1ccc(/C=C/C(=O)NCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027705962 563049502 /nfs/dbraw/zinc/04/95/02/563049502.db2.gz VQFGVWSBUVXXIL-HTXNQAPBSA-N 0 3 496.699 5.351 1 0 JKAFHN COC(=O)c1ccc(-c2sc3ccccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000027995903 563054085 /nfs/dbraw/zinc/05/40/85/563054085.db2.gz GIOLPVIWGJMJPF-UHFFFAOYSA-N 0 3 499.632 6.451 1 0 JKAFHN Clc1ccc([C@@H]2C[C@@H](N3CCN(C/C=C/c4ccccc4)CC3)c3ccccc32)cc1Cl ZINC000028087227 563055493 /nfs/dbraw/zinc/05/54/93/563055493.db2.gz CQHFAVPNRLFXIP-JTNSYBLNSA-N 0 3 463.452 6.901 1 0 JKAFHN CCN(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000028094757 563055779 /nfs/dbraw/zinc/05/57/79/563055779.db2.gz YUKVIEGEWGDWPM-UHFFFAOYSA-N 0 3 457.361 5.345 1 0 JKAFHN FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CNCCc1ccccc1 ZINC000028129922 563057252 /nfs/dbraw/zinc/05/72/52/563057252.db2.gz FIVFVLGWZIHRKE-UHFFFAOYSA-N 0 3 480.770 7.198 1 0 JKAFHN CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CCC1 ZINC000028138112 563057748 /nfs/dbraw/zinc/05/77/48/563057748.db2.gz GQWFZZSWERZBCA-UHFFFAOYSA-N 0 3 486.818 7.878 1 0 JKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccsc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028243964 563058786 /nfs/dbraw/zinc/05/87/86/563058786.db2.gz XFUQSWMVELPEBU-JXMROGBWSA-N 0 3 485.653 5.368 1 0 JKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)[C@@H]3CCCN(Cc4ccccc4)C3)cc21 ZINC000028245417 563058823 /nfs/dbraw/zinc/05/88/23/563058823.db2.gz XQGXCFPHZVHVIS-NWJSYXBLSA-N 0 3 479.624 5.307 1 0 JKAFHN CC(=O)n1ccc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028245369 563058841 /nfs/dbraw/zinc/05/88/41/563058841.db2.gz DRTNSYSYEJTROM-NTCAYCPXSA-N 0 3 477.608 6.012 1 0 JKAFHN CC(=O)N1CCc2ccc(N(C(=O)C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028244851 563058857 /nfs/dbraw/zinc/05/88/57/563058857.db2.gz LOQNZFLQNQMESQ-MDWZMJQESA-N 0 3 493.651 5.697 1 0 JKAFHN Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCC(F)CC3)cc2)cc1 ZINC000028358207 563061545 /nfs/dbraw/zinc/06/15/45/563061545.db2.gz DZOIXKJZJFFSGR-RRPNLBNLSA-N 0 3 481.589 5.878 1 0 JKAFHN CN(C)c1cccc(N2CCc3cc(O)ccc3[C@@H]2c2ccc(OCCN3CCCCC3)cc2)c1 ZINC000028365898 563062035 /nfs/dbraw/zinc/06/20/35/563062035.db2.gz DBALQCXJSKOKLW-PMERELPUSA-N 0 3 471.645 5.475 1 0 JKAFHN CCNC(=O)c1ccc(C(c2ccc(NC(C)=O)cc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028455263 563063955 /nfs/dbraw/zinc/06/39/55/563063955.db2.gz LIOYNOOYVXTCGU-HNRBIFIRSA-N 0 3 483.612 5.617 1 0 JKAFHN COC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000028455558 563064019 /nfs/dbraw/zinc/06/40/19/563064019.db2.gz NVAROXIKIBRSFM-UHFFFAOYSA-N 0 3 464.005 5.173 1 0 JKAFHN CCNC(=O)c1ccc(C(c2ccc(O)c(OC)c2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028456606 563064144 /nfs/dbraw/zinc/06/41/44/563064144.db2.gz IZVFRMTZUWNHOR-PLQXJYEYSA-N 0 3 472.585 5.372 1 0 JKAFHN CC(C)(C)c1ccc([C@H](CNC(=O)Nc2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028520509 563066240 /nfs/dbraw/zinc/06/62/40/563066240.db2.gz PJVDPUISQGQTMX-MHZLTWQESA-N 0 3 480.672 5.936 1 0 JKAFHN O=C(NC[C@H](c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000028523045 563066727 /nfs/dbraw/zinc/06/67/27/563066727.db2.gz BCSKODLJXCHOJX-XMMPIXPASA-N 0 3 474.571 5.519 1 0 JKAFHN O[C@H](COc1ccccc1)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028528883 563068325 /nfs/dbraw/zinc/06/83/25/563068325.db2.gz KBKJJYJMBAVLQO-VWLOTQADSA-N 0 3 471.576 5.502 1 0 JKAFHN O[C@@H](COc1ccccc1)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028528882 563068333 /nfs/dbraw/zinc/06/83/33/563068333.db2.gz KBKJJYJMBAVLQO-RUZDIDTESA-N 0 3 471.576 5.502 1 0 JKAFHN O=C(CNCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000028641181 563072359 /nfs/dbraw/zinc/07/23/59/563072359.db2.gz FVCTVZAGIWTLTB-UHFFFAOYSA-N 0 3 462.637 6.137 1 0 JKAFHN O=C(Nc1ccc(F)c(Cl)c1)N(CCN1CCCC1)[C@@H]1CC=C(c2cc3ccccc3o2)CC1 ZINC000028650246 563073722 /nfs/dbraw/zinc/07/37/22/563073722.db2.gz AQGJEMXORVBGAH-JOCHJYFZSA-N 0 3 481.999 6.791 1 0 JKAFHN O=Cc1ccc(C2=CC[C@H](N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)o1 ZINC000028650231 563073803 /nfs/dbraw/zinc/07/38/03/563073803.db2.gz YHIPIFFZCVVRPO-IBGZPJMESA-N 0 3 459.949 5.450 1 0 JKAFHN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(OC[C@H](C)N4CCN(C)CC4)c3)nnc2c1 ZINC000028702863 563074798 /nfs/dbraw/zinc/07/47/98/563074798.db2.gz RUSDJHGJLODJFG-QHCPKHFHSA-N 0 3 496.659 5.375 1 0 JKAFHN COc1ccc(Oc2ccc(CN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)cc2)cc1 ZINC000028710586 563076181 /nfs/dbraw/zinc/07/61/81/563076181.db2.gz RBVKMXSYCQGAEL-UHFFFAOYSA-N 0 3 458.602 6.462 1 0 JKAFHN Cc1ccc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)cc1NC(=O)C(C)C ZINC000028710590 563076240 /nfs/dbraw/zinc/07/62/40/563076240.db2.gz ZYUVYNFTIYISBW-UHFFFAOYSA-N 0 3 478.583 7.040 1 0 JKAFHN N=C(N)Nc1ccc(N2c3ccccc3C(C3CCCCC3)=NN(Cc3ccccc3)C2=O)cc1 ZINC000028711855 563076556 /nfs/dbraw/zinc/07/65/56/563076556.db2.gz GNLCKCYGLKJNPB-UHFFFAOYSA-N 0 3 466.589 6.050 1 0 JKAFHN Cc1ccc2c(c1)N(c1ccc(NC(=N)N)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 ZINC000028711873 563076576 /nfs/dbraw/zinc/07/65/76/563076576.db2.gz DIMXGQBKBGOKPH-UHFFFAOYSA-N 0 3 480.616 6.359 1 0 JKAFHN CCN1CCC=C(Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2C)C1 ZINC000028711931 563076663 /nfs/dbraw/zinc/07/66/63/563076663.db2.gz ZFIGUEXPUFIAPG-UHFFFAOYSA-N 0 3 470.016 6.344 1 0 JKAFHN COc1ccc2c(c1)OCC(c1ccc(Cl)cc1)=C2c1ccc(OCCN2CCCC2)cc1 ZINC000028762172 563078278 /nfs/dbraw/zinc/07/82/78/563078278.db2.gz MACWKVKGRRKIKC-UHFFFAOYSA-N 0 3 461.989 6.175 1 0 JKAFHN CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCN(C[C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000028764156 563078446 /nfs/dbraw/zinc/07/84/46/563078446.db2.gz QXAWSSWYWHHUAE-DICHSLLOSA-N 0 3 495.711 5.681 1 0 JKAFHN CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCN(C[C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000028764160 563078461 /nfs/dbraw/zinc/07/84/61/563078461.db2.gz QXAWSSWYWHHUAE-IEWVHIKDSA-N 0 3 495.711 5.681 1 0 JKAFHN COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1CCC(C)(C)CC1 ZINC000028819857 563080487 /nfs/dbraw/zinc/08/04/87/563080487.db2.gz ZSLPFNBEXNZBAZ-UHFFFAOYSA-N 0 3 463.405 5.663 1 0 JKAFHN COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCCN1[C@H](C)CCC[C@@H]1C ZINC000028819848 563080504 /nfs/dbraw/zinc/08/05/04/563080504.db2.gz CUWRBQDVHWDJCB-IYBDPMFKSA-N 0 3 463.405 5.804 1 0 JKAFHN CSc1ccc([C@H]2CN(C)Cc3cc(Oc4cncc(CN5CCCCC5)c4)ccc32)cc1 ZINC000028827073 563082773 /nfs/dbraw/zinc/08/27/73/563082773.db2.gz NZWFFJWOAKYYID-MUUNZHRXSA-N 0 3 459.659 6.159 1 0 JKAFHN CSc1ccc([C@@H]2CN(C)Cc3cc(Oc4nc(CN5CCCCC5)cs4)ccc32)cc1 ZINC000028827088 563082838 /nfs/dbraw/zinc/08/28/38/563082838.db2.gz ISCCKNOQYHJXGM-VWLOTQADSA-N 0 3 465.688 6.221 1 0 JKAFHN CSc1ccc([C@@H]2CN(C)Cc3cc(Oc4ccc(CN5CCC(F)CC5)cn4)ccc32)cc1 ZINC000028827086 563082846 /nfs/dbraw/zinc/08/28/46/563082846.db2.gz KWIGMVZMURUWHZ-MHZLTWQESA-N 0 3 477.649 6.107 1 0 JKAFHN CSc1ccc([C@H]2CN(C)Cc3cc(Oc4ncc(CN5CCCCC5)s4)ccc32)cc1 ZINC000028827093 563082924 /nfs/dbraw/zinc/08/29/24/563082924.db2.gz OIWLTELSYHQZCA-RUZDIDTESA-N 0 3 465.688 6.221 1 0 JKAFHN O=C(NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cc2ccccc2s1 ZINC000028869742 563083961 /nfs/dbraw/zinc/08/39/61/563083961.db2.gz UJSHEWCIOJAMMI-UHFFFAOYSA-N 0 3 483.681 5.819 1 0 JKAFHN O=C(NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000028869735 563083987 /nfs/dbraw/zinc/08/39/87/563083987.db2.gz DQNYAPGMAYPLKE-UHFFFAOYSA-N 0 3 477.652 5.757 1 0 JKAFHN O=C(/C=C/c1ccccc1)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000028869739 563083990 /nfs/dbraw/zinc/08/39/90/563083990.db2.gz DUIAUYDNVUUFBK-VHEBQXMUSA-N 0 3 453.630 5.003 1 0 JKAFHN CN(C)C(=O)c1cc2c3ccccc3n(C[C@@H]3CCNC[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1 ZINC000028890011 563085109 /nfs/dbraw/zinc/08/51/09/563085109.db2.gz PEYOMDPJARZSIW-GAJHUEQPSA-N 0 3 479.983 5.890 1 0 JKAFHN COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5ccc6ccccc6c5)CC4)C(=O)O3)c2c1 ZINC000028893424 563085409 /nfs/dbraw/zinc/08/54/09/563085409.db2.gz CXPWIZLGIZBSFJ-NDEPHWFRSA-N 0 3 467.569 5.555 1 0 JKAFHN COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5ccc(-c6ccccc6)cc5)CC4)C(=O)O3)c2c1 ZINC000028893664 563085419 /nfs/dbraw/zinc/08/54/19/563085419.db2.gz YTHZHYKZFKMXRA-PMERELPUSA-N 0 3 493.607 6.068 1 0 JKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)CC1)=CC2 ZINC000028957198 563088420 /nfs/dbraw/zinc/08/84/20/563088420.db2.gz ALWKLBLANVUFLD-HKUYNNGSSA-N 0 3 462.490 6.986 1 0 JKAFHN COc1ccc(CN2CCC(CCOc3ccc(-c4nc5cc(C(N)=O)ccc5[nH]4)cc3)CC2)cc1 ZINC000028960910 563089058 /nfs/dbraw/zinc/08/90/58/563089058.db2.gz QWRQSKJADKREBU-UHFFFAOYSA-N 0 3 484.600 5.019 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2ccccc2Cl)n1 ZINC000028963659 563089218 /nfs/dbraw/zinc/08/92/18/563089218.db2.gz WBPUOCXUCMBUTE-UHFFFAOYSA-N 0 3 486.982 5.925 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2cccc(F)c2F)n1 ZINC000028963586 563089234 /nfs/dbraw/zinc/08/92/34/563089234.db2.gz GANRXNCUNQWBTK-UHFFFAOYSA-N 0 3 488.517 5.549 1 0 JKAFHN O=C(NCCNCc1ccc2ccccc2c1)c1ccc2nc(NCC3CCCCC3)sc2c1 ZINC000028967608 563089438 /nfs/dbraw/zinc/08/94/38/563089438.db2.gz VTISSKMIJQKOJN-UHFFFAOYSA-N 0 3 472.658 5.961 1 0 JKAFHN O=C(NCCNCc1ccc2ccccc2c1)c1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000028967666 563089591 /nfs/dbraw/zinc/08/95/91/563089591.db2.gz XREHBYFZBIEJIY-UHFFFAOYSA-N 0 3 480.593 5.221 1 0 JKAFHN Fc1ccc(CSc2nc3cc(N4CCN(Cc5ccccc5)CC4)c(F)cc3[nH]2)cc1 ZINC000029048690 563092692 /nfs/dbraw/zinc/09/26/92/563092692.db2.gz IIXOKRLJQOTZKF-UHFFFAOYSA-N 0 3 450.558 5.456 1 0 JKAFHN O=C1[N-]C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3ccccc3)ccc21 ZINC000029049657 563092891 /nfs/dbraw/zinc/09/28/91/563092891.db2.gz DUNFUDZVIBFHBS-ITYLOYPMSA-N 0 3 452.558 5.139 1 0 JKAFHN CC[C@]1(CCCCN2CCN(c3ccccc3OC)CC2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000029052786 563093153 /nfs/dbraw/zinc/09/31/53/563093153.db2.gz VCJCWDIJWRZRLQ-YTTGMZPUSA-N 0 3 497.683 5.882 1 0 JKAFHN CC[C@@]1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2c1cc(F)cc2Cl ZINC000029055345 563093608 /nfs/dbraw/zinc/09/36/08/563093608.db2.gz YSUCDXCEMDVJIT-DEOSSOPVSA-N 0 3 464.412 5.725 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc4ccccc4c3)cc1)CC2 ZINC000029063384 563094058 /nfs/dbraw/zinc/09/40/58/563094058.db2.gz SNASXRQDKMDEGV-UHFFFAOYSA-N 0 3 466.581 5.710 1 0 JKAFHN Fc1ccc(C[C@@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(Cc2ccccc2)C3)cc1 ZINC000029128122 563096072 /nfs/dbraw/zinc/09/60/72/563096072.db2.gz WFSIGTBJUNJKRG-PMERELPUSA-N 0 3 467.563 6.225 1 0 JKAFHN Cc1cccc(CCc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134519 563097881 /nfs/dbraw/zinc/09/78/81/563097881.db2.gz GJCIHRROWOGURB-UHFFFAOYSA-N 0 3 469.633 5.093 1 0 JKAFHN Cc1ccccc1/C=C1\CSC[C@H]2C1=NN(CCCN1CCN(C)CC1)[C@H]2c1ccccc1C ZINC000029311181 563099732 /nfs/dbraw/zinc/09/97/32/563099732.db2.gz FTPOJBVPYPHMRV-TVXLKGAYSA-N 0 3 474.718 5.100 1 0 JKAFHN Cc1ccccc1/C=C1\CSC[C@@H]2C1=NN(CCCN1CCN(C)CC1)[C@H]2c1ccccc1C ZINC000029311175 563099787 /nfs/dbraw/zinc/09/97/87/563099787.db2.gz FTPOJBVPYPHMRV-QISWABPXSA-N 0 3 474.718 5.100 1 0 JKAFHN COc1ccccc1[C@@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3ccc(Cl)cc3)=CN21 ZINC000029341449 563101093 /nfs/dbraw/zinc/10/10/93/563101093.db2.gz ZKTDWLJTUNSWPD-HSZRJFAPSA-N 0 3 484.021 5.186 1 0 JKAFHN N=C(N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)N)cc3C(F)(F)F)o2)c(C(F)(F)F)c1 ZINC000029467234 563104275 /nfs/dbraw/zinc/10/42/75/563104275.db2.gz CQIACFJXPBKTCI-UHFFFAOYSA-N 0 3 470.377 5.262 1 0 JKAFHN Cc1cc(Br)c([O-])c(-c2[nH]c3ccc(C(N)=[NH2+])cc3c2CCCc2ccccc2)c1 ZINC000029481268 563105354 /nfs/dbraw/zinc/10/53/54/563105354.db2.gz DACJTTSCMFHHNQ-UHFFFAOYSA-N 0 3 462.391 6.071 1 0 JKAFHN O[C@@H](CCCN1CCC(N(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000029555258 563106544 /nfs/dbraw/zinc/10/65/44/563106544.db2.gz JJPYMIFWTYGEOO-MHZLTWQESA-N 0 3 454.536 6.220 1 0 JKAFHN O=C(CCCN1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)NC1CCCCC1 ZINC000029555167 563106551 /nfs/dbraw/zinc/10/65/51/563106551.db2.gz ZHKOPWXKEUTUQW-RSXGOPAZSA-N 0 3 453.577 5.504 1 0 JKAFHN O=C(NCCCCCCN1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000029554025 563106572 /nfs/dbraw/zinc/10/65/72/563106572.db2.gz NCNZEUCJDCGDDP-PXJZQJOASA-N 0 3 489.610 6.265 1 0 JKAFHN CCC(=O)C1CCN(CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029561594 563107112 /nfs/dbraw/zinc/10/71/12/563107112.db2.gz FDCLRKXPPRFSKU-QFIPXVFZSA-N 0 3 475.460 5.930 1 0 JKAFHN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000029562407 563107148 /nfs/dbraw/zinc/10/71/48/563107148.db2.gz LTAMYBBMBMWTMB-UHFFFAOYSA-N 0 3 455.533 5.011 1 0 JKAFHN COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c(OC)c1 ZINC000029569286 563107620 /nfs/dbraw/zinc/10/76/20/563107620.db2.gz UUBOECXKHUDSTQ-UHFFFAOYSA-N 0 3 488.607 5.360 1 0 JKAFHN Clc1ccc([C@@H](Cc2cccc(Cl)c2)c2c(Cl)nc(N3CCNCC3)nc2Cl)cc1 ZINC000031897398 563108893 /nfs/dbraw/zinc/10/88/93/563108893.db2.gz XJNSDCGPKMHVLU-GOSISDBHSA-N 0 3 482.242 5.874 1 0 JKAFHN CCC1(CC)Oc2cc(OC)ccc2C(c2ccc(OCCN3CCCC3)cc2)=C1c1ccccc1 ZINC000033827362 563111009 /nfs/dbraw/zinc/11/10/09/563111009.db2.gz JKPDICXJAHISEL-UHFFFAOYSA-N 0 3 483.652 7.080 1 0 JKAFHN CC(=O)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(C)c1 ZINC000034289866 563112905 /nfs/dbraw/zinc/11/29/05/563112905.db2.gz JTNMDLZECBZHEC-UHFFFAOYSA-N 0 3 493.594 5.893 1 0 JKAFHN COc1ccccc1OCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000034289858 563112921 /nfs/dbraw/zinc/11/29/21/563112921.db2.gz WLDFWNJDWABPJE-UHFFFAOYSA-N 0 3 467.556 5.390 1 0 JKAFHN Cc1ccccc1/C=C1\CSC[C@H]2C1=NN(CCCN1CCN(C)CC1)[C@@H]2c1ccccc1C ZINC000034588905 563113921 /nfs/dbraw/zinc/11/39/21/563113921.db2.gz FTPOJBVPYPHMRV-UNKXWDAWSA-N 0 3 474.718 5.100 1 0 JKAFHN Cc1ccc(/C=C2\CSC[C@@H]3C2=NN(CCCN2CCN(C)CC2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000034588898 563113971 /nfs/dbraw/zinc/11/39/71/563113971.db2.gz YWGAQRBVSIMYTD-UAOYBAJOSA-N 0 3 474.718 5.100 1 0 JKAFHN O=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000034637927 563114350 /nfs/dbraw/zinc/11/43/50/563114350.db2.gz GIAMAPLWLDNOGA-UHFFFAOYSA-N 0 3 491.941 5.309 1 0 JKAFHN Cc1ccc(-c2nn(CCCCN3CCN(c4cccc(Cl)c4)CC3)c(=O)c3ccccc32)cc1 ZINC000034801019 563115457 /nfs/dbraw/zinc/11/54/57/563115457.db2.gz YERPPDSXDFGFFN-UHFFFAOYSA-N 0 3 487.047 5.628 1 0 JKAFHN CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(CCCc1ccccc1)Cc1c2ccccc2[nH]c1[C@]3(C)O5 ZINC000034950698 563117638 /nfs/dbraw/zinc/11/76/38/563117638.db2.gz XIPLMTRDNJBQQR-XQSZSLLBSA-N 0 3 490.647 6.245 1 0 JKAFHN COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCC(F)CC1 ZINC000035922464 563121270 /nfs/dbraw/zinc/12/12/70/563121270.db2.gz YMQSEEOAYCTNQU-NSCUHMNNSA-N 0 3 487.938 5.103 1 0 JKAFHN CCCc1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000035984942 563121671 /nfs/dbraw/zinc/12/16/71/563121671.db2.gz PBIBEWTURATALQ-UHFFFAOYSA-N 0 3 455.642 6.250 1 0 in-vitro JKAFHN CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCF)cc(C(C)=O)c1 ZINC000036093271 563122184 /nfs/dbraw/zinc/12/21/84/563122184.db2.gz VCYYAUWOLSKMPO-CUNXSJBXSA-N 0 3 499.602 5.425 1 0 JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000036285564 563125247 /nfs/dbraw/zinc/12/52/47/563125247.db2.gz TUVAAUULBWCGLQ-JPYJTQIMSA-N 0 3 496.017 5.932 1 0 JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCCC2CCCCC2)CC1 ZINC000036285705 563125276 /nfs/dbraw/zinc/12/52/76/563125276.db2.gz RSQJCAXHGWYJSX-QHCPKHFHSA-N 0 3 467.620 6.151 1 0 JKAFHN Cc1ccc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1C ZINC000036285779 563125374 /nfs/dbraw/zinc/12/53/74/563125374.db2.gz NMCAXQLLMNGADX-BWKNWUBXSA-N 0 3 489.626 5.896 1 0 JKAFHN Cc1cc(-c2ccc3c(c2)occ(-c2ccc(N4CC[C@@H](N(C)C)C4)nc2)c3=O)ccc1Cl ZINC000036351607 563126959 /nfs/dbraw/zinc/12/69/59/563126959.db2.gz YIGYYHXUDRNDMA-OAQYLSRUSA-N 0 3 459.977 5.624 1 0 JKAFHN CN(C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1 ZINC000036351615 563126983 /nfs/dbraw/zinc/12/69/83/563126983.db2.gz JFLHGPMUAZJVGA-OAQYLSRUSA-N 0 3 479.502 5.681 1 0 JKAFHN CN(C)[C@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1 ZINC000036351616 563126987 /nfs/dbraw/zinc/12/69/87/563126987.db2.gz JFLHGPMUAZJVGA-NRFANRHFSA-N 0 3 479.502 5.681 1 0 JKAFHN CN(C)[C@H]1CCN(c2ccc(-c3coc4cc(Oc5ccc(Cl)cc5)ccc4c3=O)cn2)C1 ZINC000036351552 563126993 /nfs/dbraw/zinc/12/69/93/563126993.db2.gz LNUNJEQAQIMUJF-IBGZPJMESA-N 0 3 461.949 5.441 1 0 JKAFHN Cc1cc(-c2ccc3c(c2)occ(-c2ccc(N4CC[C@H](N(C)C)C4)nc2)c3=O)ccc1Cl ZINC000036351606 563126995 /nfs/dbraw/zinc/12/69/95/563126995.db2.gz YIGYYHXUDRNDMA-NRFANRHFSA-N 0 3 459.977 5.624 1 0 JKAFHN Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)Nc2cccc(F)c2)cc1 ZINC000036351876 563127083 /nfs/dbraw/zinc/12/70/83/563127083.db2.gz ZYJQVJKEBFTNEB-UHFFFAOYSA-N 0 3 476.552 5.396 1 0 JKAFHN C=C1NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H](c2ccc(N(C)C)cc2)C1C(=O)OC1CCCCC1 ZINC000036384113 563128398 /nfs/dbraw/zinc/12/83/98/563128398.db2.gz PYAFGMDQCGMELX-NDXTYJBTSA-N 0 3 480.605 5.082 1 0 JKAFHN C[C@@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc2ccccc21 ZINC000036476000 563130446 /nfs/dbraw/zinc/13/04/46/563130446.db2.gz UEPSXCXDVJJKNJ-UOKFIYJESA-N 0 3 476.564 5.799 1 0 JKAFHN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2sc(CN3CCCCC3)cc2c1 ZINC000038149687 563132127 /nfs/dbraw/zinc/13/21/27/563132127.db2.gz PVFOJNGXRJKDMG-UHFFFAOYSA-N 0 3 492.069 6.968 1 0 JKAFHN CCCNC(=O)c1ccc(F)c2c1C[C@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000038361942 563134046 /nfs/dbraw/zinc/13/40/46/563134046.db2.gz IVCXXYAPUGLPQO-NRFANRHFSA-N 0 3 481.587 5.377 1 0 in-vitro JKAFHN Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc([O-])c(F)c1 ZINC000038382017 563134103 /nfs/dbraw/zinc/13/41/03/563134103.db2.gz DBIQTOWPZVCCTN-UHFFFAOYSA-N 0 3 474.576 6.080 1 0 JKAFHN Cc1c2cc(O)ccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1-c1ccc(OC(C)C)cc1 ZINC000038385997 563134157 /nfs/dbraw/zinc/13/41/57/563134157.db2.gz RGPAIVZAKHHEOP-UHFFFAOYSA-N 0 3 498.667 7.023 1 0 JKAFHN CCN(C(=O)N(C)c1ccccc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040392056 563137952 /nfs/dbraw/zinc/13/79/52/563137952.db2.gz SBNNDGTUZRHEAY-LXFBAYGMSA-N 0 3 490.692 5.465 1 0 JKAFHN CCc1ccccc1C(=O)N([C@@H](Cc1ccc(Cl)cc1)CN(C)C)C1CCC2(CC1)OCCO2 ZINC000040395614 563139308 /nfs/dbraw/zinc/13/93/08/563139308.db2.gz DJERTHKDACYGDN-VWLOTQADSA-N 0 3 485.068 5.203 1 0 JKAFHN COc1ccc(C(OCCNCc2cccc(O)c2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000040402254 563139557 /nfs/dbraw/zinc/13/95/57/563139557.db2.gz XUSDGUGFYGXGBU-UHFFFAOYSA-N 0 3 499.607 5.516 1 0 JKAFHN O=C1N(CC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 ZINC000040408033 563140395 /nfs/dbraw/zinc/14/03/95/563140395.db2.gz DFUWOFTVSMOGGO-UHFFFAOYSA-N 0 3 451.614 5.327 1 0 JKAFHN O=C1[N-]C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(-c3ccc(Cl)cc3)ccc21 ZINC000040413900 563141169 /nfs/dbraw/zinc/14/11/69/563141169.db2.gz TZDBDULCUQMZJN-ONUIUJJFSA-N 0 3 471.988 5.716 1 0 JKAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CNC(=O)OCc2ccccc2)c1-3 ZINC000040414061 563141224 /nfs/dbraw/zinc/14/12/24/563141224.db2.gz XDMMFCGVZPFDKE-XMMPIXPASA-N 0 3 470.569 5.051 1 0 JKAFHN CN(C)C[C@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2)c1ccccc1 ZINC000040466885 563144389 /nfs/dbraw/zinc/14/43/89/563144389.db2.gz YZTLYRDFBHBLLC-NRFANRHFSA-N 0 3 476.411 5.619 1 0 JKAFHN Cc1ccccc1OCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040504120 563144827 /nfs/dbraw/zinc/14/48/27/563144827.db2.gz WKAYEVWSHHUQAD-UHFFFAOYSA-N 0 3 451.557 5.690 1 0 JKAFHN CC(=O)Nc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000040566081 563145763 /nfs/dbraw/zinc/14/57/63/563145763.db2.gz GSLRAYXIFXOUFB-UHFFFAOYSA-N 0 3 488.415 5.247 1 0 JKAFHN COc1ccc(C2=C(C)CN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000040567135 563146053 /nfs/dbraw/zinc/14/60/53/563146053.db2.gz DYNAIHDYKQVCQY-UHFFFAOYSA-N 0 3 475.416 5.687 1 0 JKAFHN COc1ccc(/C=C2\C[C@H](c3ccc(OCCN4CCCC4)cc3)Oc3cc(OC)ccc32)cc1 ZINC000040584637 563146673 /nfs/dbraw/zinc/14/66/73/563146673.db2.gz QVMXSRNETSBGSK-DZCVBQROSA-N 0 3 471.597 6.243 1 0 JKAFHN CN(C)C[C@H](c1nnc2n1-c1ccc(Br)cc1C(c1ccccc1)=NC2)c1ccccc1 ZINC000040640066 563147207 /nfs/dbraw/zinc/14/72/07/563147207.db2.gz FOYGNVHTZNPEHZ-QFIPXVFZSA-N 0 3 486.417 5.074 1 0 JKAFHN CN(C)C[C@@H](c1nnc2n1-c1ccc(Br)cc1C(c1ccccc1)=NC2)c1ccccc1 ZINC000040640069 563147230 /nfs/dbraw/zinc/14/72/30/563147230.db2.gz FOYGNVHTZNPEHZ-JOCHJYFZSA-N 0 3 486.417 5.074 1 0 JKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000040641383 563147293 /nfs/dbraw/zinc/14/72/93/563147293.db2.gz MJWDHIGIINDFQN-UHFFFAOYSA-N 0 3 458.602 5.074 1 0 JKAFHN COc1ccc(N2CC[C@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)(C)CC1 ZINC000040763318 563147971 /nfs/dbraw/zinc/14/79/71/563147971.db2.gz WREWYZJKMRIQMH-HXUWFJFHSA-N 0 3 491.459 6.023 1 0 JKAFHN COc1cc(-n2cnc3ccc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCCN1CCCC1 ZINC000040764219 563148149 /nfs/dbraw/zinc/14/81/49/563148149.db2.gz QADPAXYXCJJBLF-UHFFFAOYSA-N 0 3 475.976 5.189 1 0 JKAFHN COc1ccc(N2CC[C@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000040764461 563148321 /nfs/dbraw/zinc/14/83/21/563148321.db2.gz WWRSAUZXHNFXNT-LJQANCHMSA-N 0 3 463.405 5.387 1 0 JKAFHN COc1ccc(N2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000040764462 563148346 /nfs/dbraw/zinc/14/83/46/563148346.db2.gz WWRSAUZXHNFXNT-IBGZPJMESA-N 0 3 463.405 5.387 1 0 JKAFHN COc1cccc(CCc2ccccc2OCCCCN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000040848783 563149694 /nfs/dbraw/zinc/14/96/94/563149694.db2.gz RZUCSONCZIYHQH-UHFFFAOYSA-N 0 3 479.064 6.115 1 0 in-vitro JKAFHN COc1cccc(CCc2ccccc2OCCCCCN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000040860374 563149929 /nfs/dbraw/zinc/14/99/29/563149929.db2.gz BYCPKSCWJFHLHN-UHFFFAOYSA-N 0 3 476.636 5.991 1 0 in-vitro JKAFHN COc1cccc(CCc2ccccc2OCCCCCN2CCN(c3ccccc3OC)CC2)c1 ZINC000040864288 563150726 /nfs/dbraw/zinc/15/07/26/563150726.db2.gz YGTRMXKFXMERRE-UHFFFAOYSA-N 0 3 488.672 5.860 1 0 in-vitro JKAFHN COc1ccc(C2(C(N)=O)C[C@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1 ZINC000040877691 563152574 /nfs/dbraw/zinc/15/25/74/563152574.db2.gz AXRTXOCKWKDAKF-GJOKYCCCSA-N 0 3 495.450 6.142 1 0 JKAFHN CNC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040878256 563152619 /nfs/dbraw/zinc/15/26/19/563152619.db2.gz MLMRRWYWIYDQCC-QOEARLRASA-N 0 3 479.451 6.394 1 0 JKAFHN Cc1[nH]c(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1CN1CCCC1 ZINC000040891934 563153159 /nfs/dbraw/zinc/15/31/59/563153159.db2.gz BPUZAGSRPRFRLO-UHFFFAOYSA-N 0 3 458.480 5.945 1 0 JKAFHN OCC1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040893919 563153541 /nfs/dbraw/zinc/15/35/41/563153541.db2.gz ANLLPDOAFMYHJC-OIFTYBNWSA-N 0 3 452.425 6.640 1 0 JKAFHN Cc1cccc(C)c1C(=O)N1CCC(N2CCC(N(Cc3ccccc3)C(=O)C3CCC3)CC2)CC1 ZINC000040898300 563154287 /nfs/dbraw/zinc/15/42/87/563154287.db2.gz UXSBXUFFROKBKD-UHFFFAOYSA-N 0 3 487.688 5.201 1 0 JKAFHN O=C(Nc1ccc2c(c1)C[C@@H](NCc1ccccn1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000040898544 563154378 /nfs/dbraw/zinc/15/43/78/563154378.db2.gz FQVISFRAFHXJCA-VWLOTQADSA-N 0 3 487.525 6.277 1 0 JKAFHN O=C(NCC1CC1)c1ccc(F)c2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040937375 563158241 /nfs/dbraw/zinc/15/82/41/563158241.db2.gz XXNJBGZBTVVHER-JOCHJYFZSA-N 0 3 493.598 5.377 1 0 in-vitro JKAFHN CN(C)CCSC(=S)N(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000040951927 563159741 /nfs/dbraw/zinc/15/97/41/563159741.db2.gz NSXJHUPJHMCRHH-HXUWFJFHSA-N 0 3 456.599 5.727 1 0 JKAFHN O=c1oc(-c2ccccc2)cc(-c2ccc(OCCN3CCCCC3)cc2)c1-c1ccccc1 ZINC000040974415 563161746 /nfs/dbraw/zinc/16/17/46/563161746.db2.gz YKRMIMSOSYSSLB-UHFFFAOYSA-N 0 3 451.566 6.506 1 0 JKAFHN CC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1 ZINC000042887847 563163281 /nfs/dbraw/zinc/16/32/81/563163281.db2.gz VFWKZLPTQCSNKW-MHZLTWQESA-N 0 3 486.660 5.782 1 0 JKAFHN C[C@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1 ZINC000042965951 563163855 /nfs/dbraw/zinc/16/38/55/563163855.db2.gz FILSLSBYZHHHLD-NRFANRHFSA-N 0 3 456.586 5.361 1 0 JKAFHN CC[C@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1 ZINC000043061414 563165848 /nfs/dbraw/zinc/16/58/48/563165848.db2.gz QCPXRXKBSRYKGN-MHZLTWQESA-N 0 3 470.613 5.751 1 0 JKAFHN O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@H]1c1cccnc1 ZINC000043069913 563166223 /nfs/dbraw/zinc/16/62/23/563166223.db2.gz SRXKNIWFNXRRCM-VWLOTQADSA-N 0 3 497.565 5.402 1 0 JKAFHN C[C@@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccc(CNC2CC2)cc1Cl ZINC000043074451 563166603 /nfs/dbraw/zinc/16/66/03/563166603.db2.gz AQPXGMDXSUVRHV-CQSZACIVSA-N 0 3 466.994 5.207 1 0 JKAFHN CC(C)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043078985 563166889 /nfs/dbraw/zinc/16/68/89/563166889.db2.gz CCBNYIGVRSZDTG-UHFFFAOYSA-N 0 3 462.852 7.790 1 0 JKAFHN CCC(CC)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043121698 563167614 /nfs/dbraw/zinc/16/76/14/563167614.db2.gz NDWHYFJYVYBEIV-UHFFFAOYSA-N 0 3 490.906 8.571 1 0 JKAFHN c1ccc(CP(CCP(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1 ZINC000043781149 563171007 /nfs/dbraw/zinc/17/10/07/563171007.db2.gz ACCBLPAIUGRGGA-UHFFFAOYSA-N 0 3 454.534 8.751 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccc(O)cc3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045162476 563172853 /nfs/dbraw/zinc/17/28/53/563172853.db2.gz KCEIKCQOELYVTK-UHFFFAOYSA-N 0 3 484.427 5.659 1 0 JKAFHN COc1ccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)cc1 ZINC000045167161 563173012 /nfs/dbraw/zinc/17/30/12/563173012.db2.gz HMMQCEWWNCRIKR-UHFFFAOYSA-N 0 3 493.554 7.276 1 0 JKAFHN COc1ccc(CNCc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)cc2)cc1 ZINC000045167161 563173014 /nfs/dbraw/zinc/17/30/14/563173014.db2.gz HMMQCEWWNCRIKR-UHFFFAOYSA-N 0 3 493.554 7.276 1 0 JKAFHN CCCC[C@H](O)c1cc(O)c2c(c1)OC(C)(C)C[C@@H]2C1=CCN(Cc2ccc3ccccc3c2)CC1 ZINC000045168426 563173678 /nfs/dbraw/zinc/17/36/78/563173678.db2.gz AMLMFZFYSYRFNX-IZLXSDGUSA-N 0 3 485.668 7.246 1 0 JKAFHN CN(C)CCNCc1nc(-c2ccc3c(c2)nccc3Nc2ccc(Cl)cc2F)cs1 ZINC000045168330 563173737 /nfs/dbraw/zinc/17/37/37/563173737.db2.gz GXXYHCWOEVLDOQ-UHFFFAOYSA-N 0 3 455.990 5.546 1 0 JKAFHN FC(F)(F)c1ccc2c(c1)nccc2NCCCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000045168765 563173908 /nfs/dbraw/zinc/17/39/08/563173908.db2.gz UUNJYBBVZZAZHA-UHFFFAOYSA-N 0 3 464.413 6.735 1 0 JKAFHN CC(C)(C)c1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 ZINC000045168854 563173911 /nfs/dbraw/zinc/17/39/11/563173911.db2.gz FNUBIXIKDLRKFX-FQEVSTJZSA-N 0 3 450.623 6.104 1 0 JKAFHN Cc1cccc2nc(-c3ccc(-c4ccc(CNCc5ccc(S(C)(=O)=O)cc5)cc4)cc3)[nH]c21 ZINC000045169068 563174117 /nfs/dbraw/zinc/17/41/17/563174117.db2.gz BBTKDYGVSHZRNY-UHFFFAOYSA-N 0 3 481.621 5.899 1 0 JKAFHN CN1CCC[C@H]1COc1ccc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Cl ZINC000045186829 563174224 /nfs/dbraw/zinc/17/42/24/563174224.db2.gz VOTQNGZIETYHQC-OALUTQOASA-N 0 3 496.866 5.124 1 0 JKAFHN OCC1CCN(Cc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)CC1 ZINC000045186979 563174298 /nfs/dbraw/zinc/17/42/98/563174298.db2.gz UVLKGQAJSSFOHQ-UHFFFAOYSA-N 0 3 465.519 6.120 1 0 JKAFHN O=C(c1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1)N1CCCC[C@H]1CN1CC[C@H](O)C1 ZINC000045188089 563174731 /nfs/dbraw/zinc/17/47/31/563174731.db2.gz RFMJUAGNJATGQS-UIOOFZCWSA-N 0 3 498.602 5.097 1 0 JKAFHN COC(=O)c1cccc(CNCc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)cc2)c1 ZINC000045188560 563174825 /nfs/dbraw/zinc/17/48/25/563174825.db2.gz KIQZCUDDSIOPTM-UHFFFAOYSA-N 0 3 461.565 6.282 1 0 JKAFHN COC(=O)c1cccc(CNCc2ccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)cc3)cc2)c1 ZINC000045188560 563174827 /nfs/dbraw/zinc/17/48/27/563174827.db2.gz KIQZCUDDSIOPTM-UHFFFAOYSA-N 0 3 461.565 6.282 1 0 JKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CCN2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000045188851 563175094 /nfs/dbraw/zinc/17/50/94/563175094.db2.gz VSUXGJRKCSBWTE-SOFGYWHQSA-N 0 3 482.455 6.175 1 0 JKAFHN O=C1OC2(CN1C[C@H]1CCN(Cc3ccc(-n4ccnc4)cc3)C1)c1ccccc1-c1ccccc12 ZINC000045190279 563175534 /nfs/dbraw/zinc/17/55/34/563175534.db2.gz UZSXPNUFEKCDID-QHCPKHFHSA-N 0 3 476.580 5.071 1 0 JKAFHN CN1CCC(C(=O)Nc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)CC1 ZINC000045191234 563175809 /nfs/dbraw/zinc/17/58/09/563175809.db2.gz GTBSFDXOUJNQNJ-UHFFFAOYSA-N 0 3 484.547 6.258 1 0 JKAFHN Cc1cccc2[nH]c(-c3ccc(-c4ccc(NC(=O)[C@H](C)CN5CCN(C)CC5)cc4)s3)nc21 ZINC000045191437 563175954 /nfs/dbraw/zinc/17/59/54/563175954.db2.gz FIPNPIXGSYHJAY-LJQANCHMSA-N 0 3 473.646 5.089 1 0 JKAFHN Cc1cccc2nc(-c3ccc(-c4ccc(NC(=O)[C@H](C)CN5CCN(C)CC5)cc4)s3)[nH]c21 ZINC000045191437 563175955 /nfs/dbraw/zinc/17/59/55/563175955.db2.gz FIPNPIXGSYHJAY-LJQANCHMSA-N 0 3 473.646 5.089 1 0 JKAFHN O=C(NC[C@H]1CCN(Cc2ccsc2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045191790 563176061 /nfs/dbraw/zinc/17/60/61/563176061.db2.gz RBSWAYQGVZHXTI-OAHLLOKOSA-N 0 3 450.551 5.747 1 0 JKAFHN Cc1ccc(CN2CCCN(Cc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)CC2)s1 ZINC000045192626 563176346 /nfs/dbraw/zinc/17/63/46/563176346.db2.gz WIUHUZDLSTZACW-UHFFFAOYSA-N 0 3 454.039 5.670 1 0 JKAFHN COC(=O)c1cccc(CNCc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)c2)c1 ZINC000045192964 563176548 /nfs/dbraw/zinc/17/65/48/563176548.db2.gz MMMCXPSEYDXCTL-UHFFFAOYSA-N 0 3 461.565 6.282 1 0 JKAFHN COC(=O)c1cccc(CNCc2cccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)cc3)c2)c1 ZINC000045192964 563176549 /nfs/dbraw/zinc/17/65/49/563176549.db2.gz MMMCXPSEYDXCTL-UHFFFAOYSA-N 0 3 461.565 6.282 1 0 JKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3cc4ccccc4cc3[nH]2)s1 ZINC000045192910 563176566 /nfs/dbraw/zinc/17/65/66/563176566.db2.gz PHAKMUUMHDBVBU-UHFFFAOYSA-N 0 3 466.610 5.839 1 0 JKAFHN COc1ccc(CNC(=O)Nc2cc3cc(-c4ccc(CN(C)C)cc4)ccc3n3c(C)nnc23)cc1 ZINC000045193593 563176642 /nfs/dbraw/zinc/17/66/42/563176642.db2.gz PNNTYJFALKFLEK-UHFFFAOYSA-N 0 3 494.599 5.250 1 0 JKAFHN Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)c2)c1 ZINC000045194022 563176859 /nfs/dbraw/zinc/17/68/59/563176859.db2.gz XZXXYSCLOANLPW-UHFFFAOYSA-N 0 3 498.630 7.767 1 0 JKAFHN COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1CN1CCC(O)CC1 ZINC000045194059 563176869 /nfs/dbraw/zinc/17/68/69/563176869.db2.gz CDSCNHBFTXCHCK-UHFFFAOYSA-N 0 3 450.966 5.225 1 0 JKAFHN CN(CC[NH+](C)C)Cc1cccc(-c2ccc3c(c2)nccc3Nc2cc([O-])c(Cl)cc2F)c1 ZINC000045194327 563177067 /nfs/dbraw/zinc/17/70/67/563177067.db2.gz PBCHJPNHRXFGEU-UHFFFAOYSA-N 0 3 478.999 6.137 1 0 JKAFHN CC[C@H]1CN(Cc2ccccc2Br)CC[C@H]1CCCc1ccnc2ccc(O)cc12 ZINC000045194616 563177179 /nfs/dbraw/zinc/17/71/79/563177179.db2.gz JYUUSRDURWHKET-VQTJNVASSA-N 0 3 467.451 6.574 1 0 JKAFHN CC(=O)Nc1cccc(CNCc2ccc(-c3cnc(N4CCC[C@@H](c5ccccc5)C4)nc3)cc2)c1 ZINC000045195736 563177565 /nfs/dbraw/zinc/17/75/65/563177565.db2.gz LMMSGRVLWAYDKC-MUUNZHRXSA-N 0 3 491.639 5.776 1 0 JKAFHN CN(C)[C@@H](CNC(=O)c1cc(-c2ccncc2)c(-c2cc3ccccc3[nH]2)o1)c1ccccc1 ZINC000045196197 563177847 /nfs/dbraw/zinc/17/78/47/563177847.db2.gz QKFPZNHMFRECQN-VWLOTQADSA-N 0 3 450.542 5.523 1 0 JKAFHN CNc1ccc(CNCc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)cc1 ZINC000045202631 563178826 /nfs/dbraw/zinc/17/88/26/563178826.db2.gz SVMQLHUYXBCEHT-UHFFFAOYSA-N 0 3 486.541 7.247 1 0 JKAFHN O=C(Nc1ccccc1)N1CCC(CN2CCOC(c3ccccc3)(c3ccccc3)C2)CC1 ZINC000045210675 563179492 /nfs/dbraw/zinc/17/94/92/563179492.db2.gz RPWPIOSYVSMMRJ-UHFFFAOYSA-N 0 3 455.602 5.207 1 0 JKAFHN OCCN1CCN(Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)CC1 ZINC000045211330 563179648 /nfs/dbraw/zinc/17/96/48/563179648.db2.gz IODDDFLEQZKOQS-UHFFFAOYSA-N 0 3 486.563 5.087 1 0 JKAFHN OCCN1CCN(Cc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)cc2)CC1 ZINC000045211330 563179651 /nfs/dbraw/zinc/17/96/51/563179651.db2.gz IODDDFLEQZKOQS-UHFFFAOYSA-N 0 3 486.563 5.087 1 0 JKAFHN O=S(=O)([N-]c1cccc(CCN2CCCC[C@@H]2CC[NH+]2CCCC2)c1)c1ccc2ccccc2c1 ZINC000045226580 563179793 /nfs/dbraw/zinc/17/97/93/563179793.db2.gz YEAAANNSMPJFJL-MUUNZHRXSA-N 0 3 491.701 5.524 1 0 JKAFHN COC(=O)c1cccc(CNCc2ccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)cc2)c1 ZINC000045226913 563179871 /nfs/dbraw/zinc/17/98/71/563179871.db2.gz XEOHHYXKVANKOQ-UHFFFAOYSA-N 0 3 461.565 6.282 1 0 JKAFHN COC(=O)c1cccc(CNCc2ccc(-c3cccc(-c4nc5cccc(C)c5[nH]4)c3)cc2)c1 ZINC000045226913 563179872 /nfs/dbraw/zinc/17/98/72/563179872.db2.gz XEOHHYXKVANKOQ-UHFFFAOYSA-N 0 3 461.565 6.282 1 0 JKAFHN Cc1cc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@@H](C)N(C)[C@H](C)C5)cc34)cc2C)cc(C)n1 ZINC000045227133 563179887 /nfs/dbraw/zinc/17/98/87/563179887.db2.gz MBYXZTHDGYFIBC-FGZHOGPDSA-N 0 3 482.628 6.201 1 0 JKAFHN CC(C)NC(=O)c1cccc(-c2cccc(OCCN3CCSC[C@H]3c3ccccc3)c2)c1 ZINC000045227272 563180027 /nfs/dbraw/zinc/18/00/27/563180027.db2.gz STAQIPUZPUJITP-MHZLTWQESA-N 0 3 460.643 5.661 1 0 JKAFHN C[C@@H]1C[C@H](NCCCNc2cc(=O)c3ccccc3[nH]2)c2cc(Cl)c(Cl)c(Cl)c21 ZINC000045227725 563180230 /nfs/dbraw/zinc/18/02/30/563180230.db2.gz VPQQBXYJMKGVQV-PXAZEXFGSA-N 0 3 450.797 6.128 1 0 JKAFHN CC[C@@H]1CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC1=NCCc2c3cc(OC)ccc3[nH]c21 ZINC000045228558 563180458 /nfs/dbraw/zinc/18/04/58/563180458.db2.gz YVROHRIQSQJCSI-DIBPYXDISA-N 0 3 466.629 6.039 1 0 JKAFHN CN(C)CCOc1ccnc2ccc(NC(=O)Cc3ccc(-c4ccncc4)c4ccccc34)cc21 ZINC000045228720 563180565 /nfs/dbraw/zinc/18/05/65/563180565.db2.gz WVEIXHPPJTWLAI-UHFFFAOYSA-N 0 3 476.580 5.572 1 0 JKAFHN COc1ccc(CNCc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)cc1 ZINC000045230071 563181070 /nfs/dbraw/zinc/18/10/70/563181070.db2.gz CAXURWNKBYDHEM-UHFFFAOYSA-N 0 3 487.525 7.214 1 0 JKAFHN Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045230189 563181083 /nfs/dbraw/zinc/18/10/83/563181083.db2.gz VOTUGJQDESGIPM-UHFFFAOYSA-N 0 3 484.603 7.459 1 0 JKAFHN CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(CCN3CCC([NH+]4CCCCC4)CC3)c2)cc1 ZINC000045231203 563181375 /nfs/dbraw/zinc/18/13/75/563181375.db2.gz SAHRGLCEKJVPRI-UHFFFAOYSA-N 0 3 469.695 5.104 1 0 JKAFHN Cc1ccc(F)c(NC(=O)Nc2ccc(OCCN3CCCCC3)c(-c3ccnn3C)c2)c1 ZINC000045259603 563183060 /nfs/dbraw/zinc/18/30/60/563183060.db2.gz FIMLYZCZFCWHQQ-UHFFFAOYSA-N 0 3 451.546 5.043 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(N)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045286129 563183966 /nfs/dbraw/zinc/18/39/66/563183966.db2.gz KVPYTQSFSGJMNO-UHFFFAOYSA-N 0 3 456.634 5.554 1 0 JKAFHN CC(C)c1ccc(NC(=O)c2cccc(CN3CCCN(Cc4cccc(O)c4)CC3)c2)cc1 ZINC000045302185 563186190 /nfs/dbraw/zinc/18/61/90/563186190.db2.gz CARMOQAHNHWCDB-UHFFFAOYSA-N 0 3 457.618 5.476 1 0 JKAFHN O[C@H](CNCc1cccc(Oc2ccc(Cl)cc2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000045302283 563186250 /nfs/dbraw/zinc/18/62/50/563186250.db2.gz SNGZVMSTJPPHOZ-OAQYLSRUSA-N 0 3 489.843 6.993 1 0 JKAFHN Cc1cc(-c2ccc(NC(=O)Nc3ccc4nccc(N5CCN(C)CC5)c4c3)cc2C)cc(C)n1 ZINC000045302350 563186331 /nfs/dbraw/zinc/18/63/31/563186331.db2.gz JDLWKNGAVONVPX-UHFFFAOYSA-N 0 3 480.616 5.618 1 0 JKAFHN Cc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1[C@@H](O)CN(C)Cc1ccccc1 ZINC000045302393 563186413 /nfs/dbraw/zinc/18/64/13/563186413.db2.gz BOFMKYCRLHRNOA-LJAQVGFWSA-N 0 3 467.609 6.318 1 0 JKAFHN COC(C)(C)CNCc1cc2cc3c(cc2n(Cc2cccc(C(F)(F)F)c2)c1=O)CCC3 ZINC000045302501 563186430 /nfs/dbraw/zinc/18/64/30/563186430.db2.gz MHXPZKWOKJQWEK-UHFFFAOYSA-N 0 3 458.524 5.072 1 0 JKAFHN COc1ccc(CN2CCCN(Cc3cccc(C(=O)Nc4ccc(C(C)(C)C)cc4)c3)CC2)cc1 ZINC000045302616 563186530 /nfs/dbraw/zinc/18/65/30/563186530.db2.gz SJPQRAZSNGSVNR-UHFFFAOYSA-N 0 3 485.672 5.953 1 0 JKAFHN Cc1ccc([C@@H]2[C@H](c3cccs3)[C@@]3(CCCN([C@H](C)c4ccccc4)C3)ON2c2ccccc2)cc1 ZINC000045302535 563186572 /nfs/dbraw/zinc/18/65/72/563186572.db2.gz JRVMZSLOWYQQNK-ZGGPXQSASA-N 0 3 494.704 7.929 1 0 JKAFHN O[C@@H]1CCCN(Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045302689 563186780 /nfs/dbraw/zinc/18/67/80/563186780.db2.gz LPUDRTAQFVMIEN-JOCHJYFZSA-N 0 3 451.492 5.872 1 0 JKAFHN Clc1ccc2c(c1)nccc2N1CCN(CCN(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000045321619 563188196 /nfs/dbraw/zinc/18/81/96/563188196.db2.gz PYOZRIBDVJDIRO-UHFFFAOYSA-N 0 3 471.048 5.713 1 0 JKAFHN CN(C)CCN(C)Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(F)cc2Cl)o1 ZINC000045323280 563188805 /nfs/dbraw/zinc/18/88/05/563188805.db2.gz CSEQKCHKYPNSOA-UHFFFAOYSA-N 0 3 452.961 6.024 1 0 JKAFHN CN(C)c1ccc(-c2csc(C(=O)NC[C@H]3CCN(Cc4ccc(C(C)(C)C)cc4)C3)c2)cc1 ZINC000045323081 563188808 /nfs/dbraw/zinc/18/88/08/563188808.db2.gz XOJYNUSUDSBFHB-JOCHJYFZSA-N 0 3 475.702 6.031 1 0 JKAFHN COc1ccc(NC(=O)Nc2ccc(C)c(-c3ccc(C(=O)NCCN4CCCC4)cc3)c2)cc1 ZINC000045323544 563188904 /nfs/dbraw/zinc/18/89/04/563188904.db2.gz YBXXDGQCQVYGLR-UHFFFAOYSA-N 0 3 472.589 5.140 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccccc3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045323857 563189005 /nfs/dbraw/zinc/18/90/05/563189005.db2.gz HTJQMSKLFQUUBU-UHFFFAOYSA-N 0 3 468.428 5.954 1 0 JKAFHN Nc1cccc(CNCc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)c1 ZINC000045324430 563189125 /nfs/dbraw/zinc/18/91/25/563189125.db2.gz NZJCNMCQQOGGKP-UHFFFAOYSA-N 0 3 472.514 6.788 1 0 JKAFHN COc1cccc(C(=O)[C@@H]2C[C@H]2CN2CC=C(c3c[nH]c4cccc(Br)c43)CC2)c1 ZINC000045324623 563189323 /nfs/dbraw/zinc/18/93/23/563189323.db2.gz MXEWUAJHINAMCA-AZUAARDMSA-N 0 3 465.391 5.547 1 0 JKAFHN CC(C)c1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045325185 563189346 /nfs/dbraw/zinc/18/93/46/563189346.db2.gz GAMUHMMWFPYBPF-FQEVSTJZSA-N 0 3 453.051 6.444 1 0 JKAFHN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)[C@H](C)CN5CCN(C)CC5)cc4)c3)nc21 ZINC000045334783 563189670 /nfs/dbraw/zinc/18/96/70/563189670.db2.gz KFXXWAWLHVFPPU-OAQYLSRUSA-N 0 3 467.617 5.027 1 0 JKAFHN Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)[C@H](C)CN5CCN(C)CC5)cc4)c3)[nH]c21 ZINC000045334783 563189671 /nfs/dbraw/zinc/18/96/71/563189671.db2.gz KFXXWAWLHVFPPU-OAQYLSRUSA-N 0 3 467.617 5.027 1 0 JKAFHN CC(C)NC(=O)c1cccc(-c2ccc(OCCN3CCC[C@H]3c3cc4ccccc4[nH]3)cc2)c1 ZINC000045337824 563190608 /nfs/dbraw/zinc/19/06/08/563190608.db2.gz KNGDNXOHLSHWKG-LJAQVGFWSA-N 0 3 467.613 6.189 1 0 JKAFHN O=C(CCc1c[nH]cn1)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1 ZINC000045338105 563190719 /nfs/dbraw/zinc/19/07/19/563190719.db2.gz KEWIOZZGSINSIU-UHFFFAOYSA-N 0 3 475.474 6.210 1 0 JKAFHN CC(C)c1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045338380 563190759 /nfs/dbraw/zinc/19/07/59/563190759.db2.gz DJJYZTJOJFULRM-FQEVSTJZSA-N 0 3 486.603 6.809 1 0 JKAFHN Cc1ccc(C(=O)O[C@@H](C[C@@H]2CCC[C@H](CC(=O)c3ccccc3)N2C)c2ccccc2)cc1 ZINC000045366333 563193089 /nfs/dbraw/zinc/19/30/89/563193089.db2.gz QMTIVZTZAMVBLS-XQFUHLNNSA-N 0 3 455.598 6.409 1 0 JKAFHN COc1ccc(C(=O)O[C@@H](C[C@@H]2CCC[C@H](CC(=O)c3ccccc3)N2C)c2ccccc2)cc1 ZINC000045389790 563194938 /nfs/dbraw/zinc/19/49/38/563194938.db2.gz PVFJUPBXTIVRDR-ALTZYDRJSA-N 0 3 471.597 6.109 1 0 JKAFHN COc1cccc(CCc2ccccc2OCCCN2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000045495218 563195517 /nfs/dbraw/zinc/19/55/17/563195517.db2.gz BKBFXPYTVYLRLP-UHFFFAOYSA-N 0 3 461.602 5.325 1 0 JKAFHN FC(F)(F)c1nc2c(cccc2CCCN2CCN(c3cccc4[nH]c(C(F)(F)F)nc43)CC2)[nH]1 ZINC000045495579 563195610 /nfs/dbraw/zinc/19/56/10/563195610.db2.gz FNRRJURZILCGBX-UHFFFAOYSA-N 0 3 496.459 5.232 1 0 JKAFHN O=C1[N-]C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(-c3ccc(F)cc3)ccc21 ZINC000045497531 563196105 /nfs/dbraw/zinc/19/61/05/563196105.db2.gz MDUZNNZZFZXELS-ONUIUJJFSA-N 0 3 455.533 5.202 1 0 JKAFHN CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(CCN4CCCCC4)[C@@H]2N3C)cc1 ZINC000049033801 563198322 /nfs/dbraw/zinc/19/83/22/563198322.db2.gz NAOITOTXKYLVEE-YTMVLYRLSA-N 0 3 476.665 5.646 1 0 JKAFHN O=C(CCc1c[nH]c2ccccc12)NCCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000049045606 563199255 /nfs/dbraw/zinc/19/92/55/563199255.db2.gz UGBNXSYMNXHJKM-UHFFFAOYSA-N 0 3 482.672 6.706 1 0 JKAFHN Cn1c(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccccc1 ZINC000049046382 563199424 /nfs/dbraw/zinc/19/94/24/563199424.db2.gz KPSCTAUZOJQHBV-NZQKXSOJSA-N 0 3 458.553 5.257 1 0 JKAFHN Oc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2CCOc2ccccc21 ZINC000049049273 563199686 /nfs/dbraw/zinc/19/96/86/563199686.db2.gz IRZRURKICLRQNH-PMERELPUSA-N 0 3 469.581 6.084 1 0 JKAFHN c1c2ccccc2[nH]c1CN(Cc1ccc(CNCc2ccccn2)cc1)[C@H]1CCCc2cccnc21 ZINC000049070942 563201346 /nfs/dbraw/zinc/20/13/46/563201346.db2.gz IEWXODVRBFFDRL-HKBQPEDESA-N 0 3 487.651 6.328 1 0 JKAFHN c1ccc(-c2ccc(OCCNC[C@H]3COC(c4ccccc4)(c4ccccc4)O3)cc2)cc1 ZINC000049110050 563202201 /nfs/dbraw/zinc/20/22/01/563202201.db2.gz FBYVWPPEENYVFP-LJAQVGFWSA-N 0 3 451.566 5.639 1 0 JKAFHN CCCN(CCCNc1ccnc2cc(Cl)ccc21)Cc1ccccc1OC(F)(F)F ZINC000049111760 563202310 /nfs/dbraw/zinc/20/23/10/563202310.db2.gz MKRASZNHEPBMOR-UHFFFAOYSA-N 0 3 451.920 6.501 1 0 JKAFHN Cc1nc(C)c(-c2nnc(SCCCN3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)s1 ZINC000049785468 563203771 /nfs/dbraw/zinc/20/37/71/563203771.db2.gz ODIJMXCJWMOZFJ-PGRDOPGGSA-N 0 3 493.624 5.330 1 0 JKAFHN CCCc1nc(-c2ccccc2)c(CNCCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000053294158 563205574 /nfs/dbraw/zinc/20/55/74/563205574.db2.gz LZLJNXIZDNWXDQ-UHFFFAOYSA-N 0 3 486.582 5.615 1 0 JKAFHN CN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccc(Br)cc5)cc43)cc2)CC1 ZINC000058523409 563206889 /nfs/dbraw/zinc/20/68/89/563206889.db2.gz KLDDIZKJFLATAF-UHFFFAOYSA-N 0 3 473.418 6.160 1 0 JKAFHN FC(F)(F)c1cccc(N2CCN(CCCCNc3ccc(-c4ccccc4)cn3)CC2)c1 ZINC000058582930 563207870 /nfs/dbraw/zinc/20/78/70/563207870.db2.gz UDUOGLZZYDDSKR-UHFFFAOYSA-N 0 3 454.540 5.782 1 0 JKAFHN Fc1cccc(C2CCN(CCCNc3nc4ccccc4n3-c3ccc(Cl)cc3)CC2)c1 ZINC000058583206 563207914 /nfs/dbraw/zinc/20/79/14/563207914.db2.gz BTOMEJNPPWKKEO-UHFFFAOYSA-N 0 3 463.000 6.500 1 0 JKAFHN O=C(N[C@@H](c1ccsc1)c1ccccc1)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061906708 563210500 /nfs/dbraw/zinc/21/05/00/563210500.db2.gz GTNQZLMXTGNFIR-GDLZYMKVSA-N 0 3 482.649 6.658 3 0 JKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1)c1ccc(NCCN2CCCCC2)cc1 ZINC000000581542 562918031 /nfs/dbraw/zinc/91/80/31/562918031.db2.gz DIARJXFFVNLGOJ-UHFFFAOYSA-N 0 3 472.610 6.108 1 0 JKAFHN Oc1ccc(-c2sc3cc(O)ccc3c2Sc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000001543913 562920964 /nfs/dbraw/zinc/92/09/64/562920964.db2.gz QIMYZZHOPWTWBW-UHFFFAOYSA-N 0 3 477.651 6.995 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 ZINC000001730389 562923287 /nfs/dbraw/zinc/92/32/87/562923287.db2.gz XZEUAXYWNKYKPL-FQLXRVMXSA-N 0 3 457.614 6.257 1 0 in-man JKAFHN Fc1ccc(C(c2ccc(F)cc2)=C2CCN(CCc3ccc4[nH]c(=S)[nH]c4c3)CC2)cc1 ZINC000001863817 562923892 /nfs/dbraw/zinc/92/38/92/562923892.db2.gz JACBHJSHCJVLPK-UHFFFAOYSA-N 0 3 461.581 6.644 1 0 JKAFHN Oc1cccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)c1 ZINC000001903431 562924099 /nfs/dbraw/zinc/92/40/99/562924099.db2.gz RIUHJWNFKOJLRS-UHFFFAOYSA-N 0 3 455.554 6.575 1 0 JKAFHN OCCOC1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000003598320 562927338 /nfs/dbraw/zinc/92/73/38/562927338.db2.gz XHNPXDMSCKEWJZ-UHFFFAOYSA-N 0 3 452.542 5.172 1 0 in-man JKAFHN CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c3ccccc3[nH]c2C(C)C)cc1 ZINC000003787711 562928078 /nfs/dbraw/zinc/92/80/78/562928078.db2.gz GVFMHYJJOIJTTD-UHFFFAOYSA-N 0 3 484.706 6.795 1 0 JKAFHN O=C(CCCN1CCN(c2ccc(F)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000003789164 562928176 /nfs/dbraw/zinc/92/81/76/562928176.db2.gz BHRXKDVRJKFVJL-FFCVWOAGSA-N 0 3 481.681 5.498 1 0 JKAFHN O=C(/C=C/c1cccnc1)NCCCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1 ZINC000003796916 562928287 /nfs/dbraw/zinc/92/82/87/562928287.db2.gz IYKLOEFASHQYBS-FOCLMDBBSA-N 0 3 451.614 5.589 1 0 JKAFHN Oc1ccc2c(ccc3c2[C@H](c2ccc(OCCN4CCCCC4)cc2)c2ccc(O)cc2C3)c1 ZINC000003948511 562930545 /nfs/dbraw/zinc/93/05/45/562930545.db2.gz FYEARXADVSSUQS-SSEXGKCCSA-N 0 3 465.593 6.200 1 0 JKAFHN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC000004238189 562932914 /nfs/dbraw/zinc/93/29/14/562932914.db2.gz NYCVVWOIJVDPKB-UHFFFAOYSA-N 0 3 456.430 5.462 1 0 JKAFHN Oc1cccc(-c2ccc3c4c2O[C@H]2c5[nH]c6ccccc6c5C[C@@]5(O)[C@@H](C3)N(CC3CC3)CC[C@]425)c1 ZINC000006018974 562936460 /nfs/dbraw/zinc/93/64/60/562936460.db2.gz RYVAAONGSGXIGR-SSHYCOHZSA-N 0 3 490.603 5.240 1 0 JKAFHN O[C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4-c4ccccc4)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000006018969 562936471 /nfs/dbraw/zinc/93/64/71/562936471.db2.gz ILZXOOGQPIFULM-SSHYCOHZSA-N 0 3 474.604 5.534 1 0 JKAFHN CCc1ccc(CN2CCC(O)(c3ccc4oc(C(=O)Nc5ccc6c(c5)OCO6)cc4c3)CC2)cc1 ZINC000011997946 562958415 /nfs/dbraw/zinc/95/84/15/562958415.db2.gz ZDDABXSVVFKGOK-UHFFFAOYSA-N 0 3 498.579 5.460 1 0 JKAFHN Cc1ccc(CN2CCC(O)(c3ccc4oc(C(=O)NCCc5cccc(F)c5)cc4c3)CC2)cc1 ZINC000012190704 562959368 /nfs/dbraw/zinc/95/93/68/562959368.db2.gz BATYMGTULGRZCJ-UHFFFAOYSA-N 0 3 486.587 5.336 1 0 JKAFHN CCCCCN(CCCCC)CCCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1 ZINC000013451460 562964722 /nfs/dbraw/zinc/96/47/22/562964722.db2.gz BGIFHJISPJOGSQ-UHFFFAOYSA-N 0 3 498.733 6.786 1 0 JKAFHN CNC(=O)CCCN1CCC2=C(C1)c1c(O)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455632 562965089 /nfs/dbraw/zinc/96/50/89/562965089.db2.gz KXVBVZCLPVOLMX-FQEVSTJZSA-N 0 3 494.651 5.814 1 0 JKAFHN CNC(=O)CCN1CCC2=C(C1)c1c(OC)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455686 562965107 /nfs/dbraw/zinc/96/51/07/562965107.db2.gz XYMXLQFWKPYRCD-HXUWFJFHSA-N 0 3 494.651 5.727 1 0 JKAFHN COc1cccc(NC(=O)Nc2ccccc2[C@@H](O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000013475761 562967021 /nfs/dbraw/zinc/96/70/21/562967021.db2.gz PXKUWXKCLMVULX-MHZLTWQESA-N 0 3 459.590 5.327 1 0 JKAFHN COc1cccc(NC(=O)Nc2ccc(CO)cc2CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475844 562967135 /nfs/dbraw/zinc/96/71/35/562967135.db2.gz DWMDOQUSAMOMIZ-UHFFFAOYSA-N 0 3 477.580 5.425 1 0 JKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 ZINC000013479373 562967476 /nfs/dbraw/zinc/96/74/76/562967476.db2.gz RJQZUKFOHCVBIK-RUZDIDTESA-N 0 3 498.639 5.639 1 0 JKAFHN CCNC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013488006 562968084 /nfs/dbraw/zinc/96/80/84/562968084.db2.gz JSSVAHJXBGMKKR-GMAHTHKFSA-N 0 3 496.652 5.104 1 0 JKAFHN CC(C)Oc1cccc2sc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc54)CC3)cc21 ZINC000013490081 562969143 /nfs/dbraw/zinc/96/91/43/562969143.db2.gz PTGHMEHPYBQBFD-FQEVSTJZSA-N 0 3 464.631 5.789 1 0 JKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CCC(c3cc4cc(Cl)ccc4s3)CC2)[nH]1 ZINC000013490102 562969190 /nfs/dbraw/zinc/96/91/90/562969190.db2.gz QLOLEBNBLJTPIF-FQEVSTJZSA-N 0 3 455.023 5.964 1 0 JKAFHN Fc1ccc(C(OCCC2CCN(Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1 ZINC000013491399 562969424 /nfs/dbraw/zinc/96/94/24/562969424.db2.gz YXXIVPQOYVBQQR-UHFFFAOYSA-N 0 3 460.568 6.854 1 0 JKAFHN FC(F)(F)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013494216 562970511 /nfs/dbraw/zinc/97/05/11/562970511.db2.gz UDMSYRXZKGVFNA-UHFFFAOYSA-N 0 3 453.548 7.114 1 0 JKAFHN Cc1ccc(N2CCc3cc(O)ccc3[C@]2(C)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013523304 562971068 /nfs/dbraw/zinc/97/10/68/562971068.db2.gz OEUOOFPMSZOWIR-PMERELPUSA-N 0 3 456.630 5.892 1 0 JKAFHN O=C(CCc1ccccc1)c1cc(OCc2ccccc2)ccc1OC[C@@H](O)CN1CCCCC1 ZINC000013529251 562972087 /nfs/dbraw/zinc/97/20/87/562972087.db2.gz YRJZDYAKHCFJLP-SANMLTNESA-N 0 3 473.613 5.307 1 0 JKAFHN CN(C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 ZINC000013532176 562972312 /nfs/dbraw/zinc/97/23/12/562972312.db2.gz WILNJBJZWIOTDZ-SANMLTNESA-N 0 3 495.648 6.711 1 0 JKAFHN COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc54)[C@H](C)C3)cc21 ZINC000013535635 562972685 /nfs/dbraw/zinc/97/26/85/562972685.db2.gz CBTPCFLJYTWCHA-QRVBRYPASA-N 0 3 450.604 5.399 1 0 JKAFHN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(CN(C)C)ccn3)sc2c1 ZINC000013536580 562972770 /nfs/dbraw/zinc/97/27/70/562972770.db2.gz FRPAQDJPASCLAH-UHFFFAOYSA-N 0 3 451.983 5.711 1 0 JKAFHN N=C1NC(=N)N(c2cccc(Cl)c2)[C@@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1 ZINC000013559327 562974845 /nfs/dbraw/zinc/97/48/45/562974845.db2.gz MNCDAFBBQIQRLQ-IBGZPJMESA-N 0 3 460.752 5.587 1 0 JKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CC[C@@H](c3cc4cccc(F)c4s3)C[C@H]2C)[nH]1 ZINC000013587184 562976868 /nfs/dbraw/zinc/97/68/68/562976868.db2.gz LVZXIRSLFCVVQC-GGPKGHCWSA-N 0 3 452.595 5.838 1 0 JKAFHN COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5oc(C)cc54)[C@H](C)C3)cc21 ZINC000013587201 562976893 /nfs/dbraw/zinc/97/68/93/562976893.db2.gz NNWMNOCTZDIGBT-RLLQIKCJSA-N 0 3 465.615 5.972 1 0 JKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CC[C@@H](c3cc4cc(F)ccc4s3)C[C@@H]2C)[nH]1 ZINC000013587194 562976921 /nfs/dbraw/zinc/97/69/21/562976921.db2.gz WEGCLSBGECOYJJ-UEXGIBASSA-N 0 3 452.595 5.838 1 0 JKAFHN Cc1cc(OCCN2CCCCC2)ccc1C1=C[C@]2(CCc3cc(O)ccc32)c2ccc(O)cc21 ZINC000013587749 562977317 /nfs/dbraw/zinc/97/73/17/562977317.db2.gz BGQDIXOPAMBHRI-HKBQPEDESA-N 0 3 467.609 5.949 1 0 JKAFHN Oc1ccc2c(c1)CC[C@@]21C=C(c2cccc(OCCN3CCCCC3)c2)c2cc(O)ccc21 ZINC000013587754 562977383 /nfs/dbraw/zinc/97/73/83/562977383.db2.gz CIRQCIBUOZFBLG-SSEXGKCCSA-N 0 3 453.582 5.640 1 0 JKAFHN NC(=O)C1CCN(Cc2ccc(-c3cc4nccc(Nc5ccc6[nH]ccc6c5)c4s3)cc2)CC1 ZINC000013588184 562977539 /nfs/dbraw/zinc/97/75/39/562977539.db2.gz ULUUNYJTTJIXHY-UHFFFAOYSA-N 0 3 481.625 5.886 1 0 JKAFHN Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CNCCOCCO)cc5)sc43)ccc2[nH]1 ZINC000013588196 562977547 /nfs/dbraw/zinc/97/75/47/562977547.db2.gz SJSZXGFLISXGGM-UHFFFAOYSA-N 0 3 472.614 5.595 1 0 JKAFHN c1ccc2c(c1)nc1c(c2CCCCCCCCNc2c3ccccc3nc3c2CCCC3)CCCC1 ZINC000013612210 562979597 /nfs/dbraw/zinc/97/95/97/562979597.db2.gz LEWUCBWUGAIBAD-UHFFFAOYSA-N 0 3 491.723 8.536 1 0 JKAFHN COc1ccc([C@]2(c3ccc(OCCN(C)C)cc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000013649376 562980938 /nfs/dbraw/zinc/98/09/38/562980938.db2.gz LWYSPLVNMSFSTO-RPBOFIJWSA-N 0 3 456.413 5.893 1 0 JKAFHN CN1CCCC[C@@H]1Cn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21 ZINC000013672800 562982774 /nfs/dbraw/zinc/98/27/74/562982774.db2.gz UMWURODBAKCARO-GOSISDBHSA-N 0 3 461.403 6.272 1 0 JKAFHN O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000013675644 562983263 /nfs/dbraw/zinc/98/32/63/562983263.db2.gz MZIDLDQPPBIKHJ-UHFFFAOYSA-N 0 3 489.063 6.580 1 0 JKAFHN O=C(NCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1c[nH]c2ccccc12 ZINC000013675660 562983271 /nfs/dbraw/zinc/98/32/71/562983271.db2.gz WRZLBZPGOSUCKT-UHFFFAOYSA-N 0 3 461.009 6.261 1 0 JKAFHN Oc1ccc2c(ccc3c2[C@H](c2ccc(OCCN4CCCCC4)cc2)Oc2c(F)cc(F)cc2-3)c1 ZINC000013679924 562984101 /nfs/dbraw/zinc/98/41/01/562984101.db2.gz AKRKKOYYGGSJRD-LJAQVGFWSA-N 0 3 487.546 6.837 1 0 JKAFHN Cc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccccc3F)c2c1 ZINC000013731187 562985256 /nfs/dbraw/zinc/98/52/56/562985256.db2.gz YVFUGTZUCVMFPR-UHFFFAOYSA-N 0 3 462.613 5.403 1 0 JKAFHN CC/C(=C(\c1ccccc1)c1ccc(/C=C/C(=O)N(CC)CCN(C)C)cc1)c1ccccc1 ZINC000013736708 562985948 /nfs/dbraw/zinc/98/59/48/562985948.db2.gz GUDMGLNHTKZVJR-NSEFVXCXSA-N 0 3 452.642 6.479 1 0 JKAFHN Cc1c(CCN2CCN(c3cc(C)ccn3)CC2)c2cc(NC(=O)c3ccccc3)cc3c2n1CCC3 ZINC000013740424 562986790 /nfs/dbraw/zinc/98/67/90/562986790.db2.gz RXLNEEMRNQZQSQ-UHFFFAOYSA-N 0 3 493.655 5.216 1 0 JKAFHN COC(=O)c1ccccc1SC[C@@H](CN(C)C)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000013741937 562987143 /nfs/dbraw/zinc/98/71/43/562987143.db2.gz ZCKJJEAXMUMRLO-JOCHJYFZSA-N 0 3 463.599 5.205 1 0 JKAFHN C[C@H]1SC(C)(C)C(=O)N1CCCCN1CCN(c2cn(-c3ccccc3)c3cc(F)ccc23)CC1 ZINC000013759421 562989220 /nfs/dbraw/zinc/98/92/20/562989220.db2.gz JESULJQFGFJISO-OAQYLSRUSA-N 0 3 494.680 5.372 1 0 JKAFHN C[C@@H]1SC(C)(C)C(=O)N1CCCCN1CCN(c2cn(-c3ccccc3)c3ccccc23)CC1 ZINC000013759412 562989254 /nfs/dbraw/zinc/98/92/54/562989254.db2.gz KQVBGTRXBYOVJC-QFIPXVFZSA-N 0 3 476.690 5.233 1 0 JKAFHN Oc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCCC3)cc1)c1c3ccccc3sc1-2 ZINC000013779325 562991381 /nfs/dbraw/zinc/99/13/81/562991381.db2.gz UOLDIIDQKRMCTR-MHZLTWQESA-N 0 3 457.595 6.620 1 0 JKAFHN CC(C)Oc1ccccc1N1CCN(CCCCc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000013779670 562991600 /nfs/dbraw/zinc/99/16/00/562991600.db2.gz WBISYROOPMTIBU-UHFFFAOYSA-N 0 3 463.666 5.245 1 0 JKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c5cc(-c6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000013780468 562991815 /nfs/dbraw/zinc/99/18/15/562991815.db2.gz LAFAZHYCYGLKBS-SSHYCOHZSA-N 0 3 490.603 5.240 1 0 JKAFHN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCCN(C)C)c1ccccc1 ZINC000013795699 562993039 /nfs/dbraw/zinc/99/30/39/562993039.db2.gz OURRYXSKJSYVBU-DEOSSOPVSA-N 0 3 453.586 5.723 1 0 JKAFHN O=C(CCCN1CCN(c2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820043 562997221 /nfs/dbraw/zinc/99/72/21/562997221.db2.gz DXFQNMQMIBZCGI-ZQIDGUAPSA-N 0 3 463.691 5.358 1 0 JKAFHN Cc1ccc(N2CCN(CCCC(=O)N[C@H]3c4ccccc4SC[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000013820075 562997391 /nfs/dbraw/zinc/99/73/91/562997391.db2.gz SELGOWUPKMFJRF-ZLZBJJAKSA-N 0 3 477.718 5.667 1 0 JKAFHN O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000013820560 562997471 /nfs/dbraw/zinc/99/74/71/562997471.db2.gz PVJCUYTVYYLXGG-NDEPHWFRSA-N 0 3 492.088 5.754 1 0 JKAFHN O=C(CCCN1CCN(c2ccccc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000013820509 562997493 /nfs/dbraw/zinc/99/74/93/562997493.db2.gz OUBBPFMHCCWLFX-NDEPHWFRSA-N 0 3 457.643 5.100 1 0 JKAFHN CC(=O)c1ccc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013824961 562998178 /nfs/dbraw/zinc/99/81/78/562998178.db2.gz WQUFWOXKBAQRQU-UHFFFAOYSA-N 0 3 463.568 6.480 1 0 JKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC([C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000013824915 562998196 /nfs/dbraw/zinc/99/81/96/562998196.db2.gz HNUBHTPNYJQGMQ-GDLZYMKVSA-N 0 3 476.592 5.745 1 0 JKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(c2ccccc2)c2ccccc2)CC1 ZINC000013824887 562998231 /nfs/dbraw/zinc/99/82/31/562998231.db2.gz FYIBDZJGBOZTNV-UHFFFAOYSA-N 0 3 457.614 6.211 1 0 JKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 ZINC000013824904 562998241 /nfs/dbraw/zinc/99/82/41/562998241.db2.gz DTYSYXOVYCUFES-UHFFFAOYSA-N 0 3 485.668 6.828 1 0 JKAFHN CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c3ccccn3nc2C(C)C)cc1 ZINC000013827197 562998587 /nfs/dbraw/zinc/99/85/87/562998587.db2.gz GIJBGPPVYLNAQQ-UHFFFAOYSA-N 0 3 485.694 5.962 1 0 JKAFHN CCCCc1nc2cccc(C[NH+](C)C)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013828090 562998938 /nfs/dbraw/zinc/99/89/38/562998938.db2.gz HSRGNXIIKVAUGC-UHFFFAOYSA-N 0 3 465.605 5.336 1 0 JKAFHN CCCCc1nc2cccc(C[NH+](C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013828090 562998939 /nfs/dbraw/zinc/99/89/39/562998939.db2.gz HSRGNXIIKVAUGC-UHFFFAOYSA-N 0 3 465.605 5.336 1 0 JKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccccc1O)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834303 563000963 /nfs/dbraw/zinc/00/09/63/563000963.db2.gz YCDSBBHRSVTTMX-UHFFFAOYSA-N 0 3 473.594 6.075 1 0 JKAFHN CCc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834306 563000986 /nfs/dbraw/zinc/00/09/86/563000986.db2.gz WMLWTVAJYFWBTB-UHFFFAOYSA-N 0 3 485.649 6.932 1 0 JKAFHN Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000013835524 563001369 /nfs/dbraw/zinc/00/13/69/563001369.db2.gz PMMUSRSOKNLZDS-UHFFFAOYSA-N 0 3 451.448 5.976 1 0 JKAFHN Cc1cc2c(cc1Cc1ccc(C(=O)NCc3ccc(CN(C)C)cc3)o1)C(C)(C)CCC2(C)C ZINC000013860614 563002203 /nfs/dbraw/zinc/00/22/03/563002203.db2.gz DTRFYGVLKVDZDU-UHFFFAOYSA-N 0 3 472.673 6.519 1 0 JKAFHN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CCCCC1)c1ccccc1 ZINC000013862764 563003064 /nfs/dbraw/zinc/00/30/64/563003064.db2.gz MHEYENUCWKQKPB-MHZLTWQESA-N 0 3 463.625 6.769 1 0 JKAFHN O[C@@H](/C=C1\C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000013901725 563004351 /nfs/dbraw/zinc/00/43/51/563004351.db2.gz IICYPFHJKGRIGE-VNMIWEMJSA-N 0 3 463.543 6.592 1 0 JKAFHN Oc1ccc2c(ccc3c2[C@@H](c2ccc(OCCN4CCCCC4)cc2)c2cccc(O)c2C3)c1 ZINC000013976026 563004905 /nfs/dbraw/zinc/00/49/05/563004905.db2.gz DLCGHEAGXLUOOT-PMERELPUSA-N 0 3 465.593 6.200 1 0 JKAFHN CC(C)Oc1cc2ncnc(Nc3c4c(ccc3Cl)OCO4)c2c(OC2CCN(C)CC2)c1 ZINC000014949451 563006988 /nfs/dbraw/zinc/00/69/88/563006988.db2.gz HWFNAHQNQARBKY-UHFFFAOYSA-N 0 3 470.957 5.016 1 0 JKAFHN CC(C)N1CC(CNC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1 ZINC000014959696 563008287 /nfs/dbraw/zinc/00/82/87/563008287.db2.gz JXXTUZLDPFLPSN-UHFFFAOYSA-N 0 3 469.010 5.130 1 0 JKAFHN Oc1ccc2c(c1)sc(-c1ccc(F)cc1)c2Oc1ccc(OCCN2CCCCC2)cc1 ZINC000014970918 563009640 /nfs/dbraw/zinc/00/96/40/563009640.db2.gz UXOKNLLQRMTSSJ-UHFFFAOYSA-N 0 3 463.574 7.070 1 0 JKAFHN Nc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000014970930 563009740 /nfs/dbraw/zinc/00/97/40/563009740.db2.gz RWZWBBCTNYUKDP-UHFFFAOYSA-N 0 3 460.599 6.513 1 0 JKAFHN CCNC(=O)c1noc(-c2cc(-c3ccccc3)c(O)cc2[O-])c1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014974910 563010089 /nfs/dbraw/zinc/01/00/89/563010089.db2.gz PKTFLCYFJWTUTH-UHFFFAOYSA-N 0 3 497.595 5.822 1 0 JKAFHN CCN1CCC[C@@H](Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc3cc(Cl)ccc32)C1 ZINC000016975502 563013342 /nfs/dbraw/zinc/01/33/42/563013342.db2.gz CNDBBOZQJPYNTH-MRXNPFEDSA-N 0 3 450.801 6.230 1 0 JKAFHN Brc1ccc2c(c1)[nH]cc2[C@H]1CN[C@@H](c2c[nH]c3cc(Br)ccc32)CN1 ZINC000022859129 563017166 /nfs/dbraw/zinc/01/71/66/563017166.db2.gz MWNHJASCQSIGAO-WOJBJXKFSA-N 0 3 474.200 5.149 1 0 JKAFHN O[C@@H](CSc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924707 563017524 /nfs/dbraw/zinc/01/75/24/563017524.db2.gz KMONIWZOMQQSPR-HHHXNRCGSA-N 0 3 496.667 5.648 1 0 JKAFHN Fc1ccc(C(OCCN2CCN(CCCc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000022925614 563017613 /nfs/dbraw/zinc/01/76/13/563017613.db2.gz USGPDESLGQZHAK-UHFFFAOYSA-N 0 3 485.018 5.975 1 0 JKAFHN Fc1ccc(CN(CCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022925722 563017670 /nfs/dbraw/zinc/01/76/70/563017670.db2.gz SKSRFQROQDXMAL-UHFFFAOYSA-N 0 3 463.616 5.612 1 0 JKAFHN c1ccc(CCCN2CCN(CCCCCN(Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000022925748 563017674 /nfs/dbraw/zinc/01/76/74/563017674.db2.gz VMZAHLMVORANEZ-UHFFFAOYSA-N 0 3 455.690 6.114 1 0 JKAFHN COc1cc2c(cc1OC)CN([C@@H]1CCCN(CCCOc3ccc4c(c3)-c3ccccc3C4)C1)CC2 ZINC000022930517 563018298 /nfs/dbraw/zinc/01/82/98/563018298.db2.gz JBEWIPMACLNNPY-HHHXNRCGSA-N 0 3 498.667 5.567 1 0 JKAFHN Cc1ccc(O)c(N(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C(C)C)c1 ZINC000022934219 563018794 /nfs/dbraw/zinc/01/87/94/563018794.db2.gz PXZOCRXWQZWVBK-UHFFFAOYSA-N 0 3 457.662 5.713 1 0 JKAFHN O=C(CCCN1CCN(C/C=C/c2ccccc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000022940091 563019461 /nfs/dbraw/zinc/01/94/61/563019461.db2.gz IRXNIDKGCMSOEL-KXMKAXRESA-N 0 3 497.708 5.609 1 0 JKAFHN Cc1nc[nH]c1CN1c2ccccc2CN(Cc2ccc(C(C)(C)C)cc2)C[C@@H]1CCc1ccccc1 ZINC000025984437 563021037 /nfs/dbraw/zinc/02/10/37/563021037.db2.gz WVMMDJDPEOYFFD-PMERELPUSA-N 0 3 492.711 7.039 1 0 JKAFHN C[C@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000026146481 563022349 /nfs/dbraw/zinc/02/23/49/563022349.db2.gz VWYDECMNCXHJOZ-RDPSFJRHSA-N 0 3 479.045 5.734 1 0 JKAFHN COc1ccc([C@@H](O)CCCN2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026179035 563023694 /nfs/dbraw/zinc/02/36/94/563023694.db2.gz OVISRGCRZMGEBJ-ITHJLQSDSA-N 0 3 464.556 5.797 1 0 JKAFHN COc1ccc(C(=O)Nc2ccccc2NC(=O)OCCC2CCN(c3ccncc3)CC2)cc1 ZINC000026181793 563023869 /nfs/dbraw/zinc/02/38/69/563023869.db2.gz NZASLHGYSUHZEI-UHFFFAOYSA-N 0 3 474.561 5.198 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)=C2c1ccc(OCCN2CCCCC2)cc1 ZINC000026266563 563024931 /nfs/dbraw/zinc/02/49/31/563024931.db2.gz FHXHQHPKYXZNBB-UHFFFAOYSA-N 0 3 469.625 6.690 1 0 JKAFHN COc1ccc([S@@](=O)c2ccc([C@H](C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2)cc1 ZINC000026380100 563026615 /nfs/dbraw/zinc/02/66/15/563026615.db2.gz CSHHMALNFJAJIB-LWQYYNMXSA-N 0 3 494.745 6.434 1 0 JKAFHN CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCc2scnc2C)CC1 ZINC000026567730 563029787 /nfs/dbraw/zinc/02/97/87/563029787.db2.gz LVTHAGRWQVUOHP-UHFFFAOYSA-N 0 3 451.611 5.568 1 0 JKAFHN CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCc2ccsc2)CC1 ZINC000026568608 563029838 /nfs/dbraw/zinc/02/98/38/563029838.db2.gz ILNHBOIRJNOOJT-UHFFFAOYSA-N 0 3 457.640 5.629 1 0 JKAFHN CCC(=O)N(c1ccccc1)C1(c2nc(C)c(C)s2)CCN(CCc2ccsc2)CC1 ZINC000026572480 563030152 /nfs/dbraw/zinc/03/01/52/563030152.db2.gz KMCSACAASUKGNF-UHFFFAOYSA-N 0 3 453.677 5.798 1 0 JKAFHN Oc1ccc2c(c1)S[C@H](CC1CCCCC1)[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026574401 563030301 /nfs/dbraw/zinc/03/03/01/563030301.db2.gz KFAQEVOHKOACDL-IZLXSDGUSA-N 0 3 467.675 6.822 1 0 JKAFHN Oc1cccc([C@H]2Sc3cc(O)ccc3O[C@@H]2c2ccc(OCCN3CCCCC3)cc2)c1 ZINC000026663198 563032816 /nfs/dbraw/zinc/03/28/16/563032816.db2.gz NAULYXADLNIEES-KAYWLYCHSA-N 0 3 463.599 5.930 1 0 JKAFHN Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(-c6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026726545 563033969 /nfs/dbraw/zinc/03/39/69/563033969.db2.gz BODOIOJWEKAOMM-BESSAKRQSA-N 0 3 490.603 5.240 1 0 JKAFHN COC(=O)[C@@H]1CCC[C@H](NCc2n[nH]c3cccc(OCc4ccc(Cl)c(Cl)c4)c32)C1 ZINC000026727650 563034072 /nfs/dbraw/zinc/03/40/72/563034072.db2.gz OAYAVSHLOXDZCU-CVEARBPZSA-N 0 3 462.377 5.270 1 0 JKAFHN CSc1sc(C(=N)N)cc1-c1nc(-c2cnn(-c3ccccc3)c2OCC2CCC2)cs1 ZINC000026824861 563035823 /nfs/dbraw/zinc/03/58/23/563035823.db2.gz YIMJJUVMUFRTSH-UHFFFAOYSA-N 0 3 481.672 5.909 1 0 JKAFHN CCC1=C(c2ccccc2)[C@@H](c2ccc(OCCN3CCCC3)cc2)Oc2cc(OC)ccc21 ZINC000026963530 563038221 /nfs/dbraw/zinc/03/82/21/563038221.db2.gz PUKJLWFRYHROLA-SSEXGKCCSA-N 0 3 455.598 6.624 1 0 JKAFHN O=C(/C=C/c1ccc(Cl)nc1)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027641343 563048112 /nfs/dbraw/zinc/04/81/12/563048112.db2.gz NRAYHNWMAXNFDY-JQIJEIRASA-N 0 3 489.063 5.052 1 0 JKAFHN Cc1ccc([C@@H](c2ccccc2)N2CCN(CCCCNC(=O)/C=C/c3cccnc3)CC2)cc1C ZINC000027655178 563049019 /nfs/dbraw/zinc/04/90/19/563049019.db2.gz LZVYXXLTWLMUDK-XSWVMQTGSA-N 0 3 482.672 5.015 1 0 JKAFHN Cc1ccc(/C=C/C(=O)NCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)n1 ZINC000027656053 563049173 /nfs/dbraw/zinc/04/91/73/563049173.db2.gz HZJPQPCMQRQGRU-ISLYRVAYSA-N 0 3 482.672 5.015 1 0 JKAFHN Cn1c2ccccc2c2c1CC[C@@H](CN1CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)C2=O ZINC000027740357 563050986 /nfs/dbraw/zinc/05/09/86/563050986.db2.gz GMBNAWIYSADMKL-DEOSSOPVSA-N 0 3 496.601 6.800 1 0 JKAFHN COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3cccc(Cl)c3)CC1)OCC(C)(C)C2 ZINC000027740846 563051076 /nfs/dbraw/zinc/05/10/76/563051076.db2.gz JCQADVNJQMJDRK-HSZRJFAPSA-N 0 3 459.030 5.210 1 0 JKAFHN CCCCC(=O)O[C@H]1C(=O)N(CCN(C)C)c2ccc(Cl)cc2S[C@@H]1c1ccc(OC)cc1 ZINC000027754173 563051328 /nfs/dbraw/zinc/05/13/28/563051328.db2.gz CJYJYLLYIVLLTE-DNQXCXABSA-N 0 3 491.053 5.192 1 0 JKAFHN CN(C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1 ZINC000027758625 563051417 /nfs/dbraw/zinc/05/14/17/563051417.db2.gz VIQRKPSFJFZYIZ-LOSJGSFVSA-N 0 3 483.439 5.392 1 0 JKAFHN COc1ccc2c(c1OC)CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027847756 563051811 /nfs/dbraw/zinc/05/18/11/563051811.db2.gz SOPCFNVPBFYXPO-URXFXBBRSA-N 0 3 477.432 5.163 1 0 JKAFHN Clc1ccc(N2CCN(Cc3cccc(CN4CCN(c5ccc(Cl)cc5)CC4)c3)CC2)cc1 ZINC000027873042 563052495 /nfs/dbraw/zinc/05/24/95/563052495.db2.gz BSRRJUXTWJVYCC-UHFFFAOYSA-N 0 3 495.498 5.638 1 0 JKAFHN CC[C@@H]1c2cc(O)ccc2O[C@@H](c2ccc(OCCN3CCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000028130802 563057362 /nfs/dbraw/zinc/05/73/62/563057362.db2.gz HHCGRISNJFDPKZ-POLDFPFKSA-N 0 3 473.613 6.374 1 0 JKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(CCc4ccccc4)CC3)cc21 ZINC000028243111 563058690 /nfs/dbraw/zinc/05/86/90/563058690.db2.gz VWDYUHCNZFUOIO-NTCAYCPXSA-N 0 3 493.651 5.349 1 0 JKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C)c3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028243916 563058846 /nfs/dbraw/zinc/05/88/46/563058846.db2.gz HODIMAJDBWSWFE-SDNWHVSQSA-N 0 3 493.651 5.615 1 0 JKAFHN Oc1ccc2c(c1)[C@H](c1ccc(OCCN3CCCCC3)cc1)[C@@H]1c3ccc(O)cc3CC[C@H]21 ZINC000028264205 563059435 /nfs/dbraw/zinc/05/94/35/563059435.db2.gz INFDJQRWZNSFNW-CCNCKIRNSA-N 0 3 455.598 5.922 1 0 JKAFHN C[C@@H]1c2ccc(O)cc2O[C@@H](c2ccc(OCCN3CCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000028344966 563060733 /nfs/dbraw/zinc/06/07/33/563060733.db2.gz QZFNCDFOOSETTB-FXAGJUNHSA-N 0 3 459.586 5.984 1 0 JKAFHN COc1ccc(Cl)c(O[C@H](CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 ZINC000028351159 563061100 /nfs/dbraw/zinc/06/11/00/563061100.db2.gz ROFZYAIHNKKOTB-HSZRJFAPSA-N 0 3 458.002 5.122 1 0 JKAFHN CCN1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000028383430 563063113 /nfs/dbraw/zinc/06/31/13/563063113.db2.gz QWMKDONQFULFHL-HSZRJFAPSA-N 0 3 458.562 5.337 1 0 JKAFHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2noc(-c3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000028390049 563063539 /nfs/dbraw/zinc/06/35/39/563063539.db2.gz JOVZTLZGIDTJFC-HSZRJFAPSA-N 0 3 468.557 5.410 1 0 JKAFHN CCCN(Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028456195 563064061 /nfs/dbraw/zinc/06/40/61/563064061.db2.gz RVAYLSXIBUWLKW-UHFFFAOYSA-N 0 3 468.567 6.844 1 0 JKAFHN CCNC(=O)c1ccc(C(c2ccc(C(=O)N(C)C)cc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028456602 563064134 /nfs/dbraw/zinc/06/41/34/563064134.db2.gz BCWRWAIVCSKANG-HNRBIFIRSA-N 0 3 497.639 5.360 1 0 JKAFHN Cc1cc(C)c(-n2c3ccccc3n3c(CN(CC4CC4)CC4CC4)c(C(F)(F)F)nc32)c(C)c1 ZINC000028469757 563065195 /nfs/dbraw/zinc/06/51/95/563065195.db2.gz NNPQOYSAUKBOEH-UHFFFAOYSA-N 0 3 480.578 6.844 1 0 JKAFHN O=C(Cc1cc(Cl)cc(Cl)c1)NC[C@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000028478138 563066166 /nfs/dbraw/zinc/06/61/66/563066166.db2.gz XZZHXQBAHUQDLK-RUZDIDTESA-N 0 3 474.476 5.344 1 0 JKAFHN Oc1cccc(-c2ccc3c4c2O[C@@H]2c5[nH]c6ccccc6c5C[C@@]5(O)[C@@H](C3)N(CC3CC3)CC[C@]425)c1 ZINC000028523243 563066821 /nfs/dbraw/zinc/06/68/21/563066821.db2.gz RYVAAONGSGXIGR-KLWPZSMLSA-N 0 3 490.603 5.240 1 0 JKAFHN O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(F)cc1 ZINC000028523628 563066893 /nfs/dbraw/zinc/06/68/93/563066893.db2.gz KUHRWURAPYZJGN-DEOSSOPVSA-N 0 3 492.561 5.658 1 0 JKAFHN COc1ccc(NC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523703 563066961 /nfs/dbraw/zinc/06/69/61/563066961.db2.gz CUUICAFATAIIHS-NDEPHWFRSA-N 0 3 492.708 5.806 1 0 JKAFHN O=C(Nc1cccc2c1CN(Cc1cccc(CNc3ccncc3)c1)C2=O)c1ccc(Cl)s1 ZINC000028526584 563067998 /nfs/dbraw/zinc/06/79/98/563067998.db2.gz LRGYNNKHBMLPRD-UHFFFAOYSA-N 0 3 489.000 5.817 1 0 JKAFHN O=S(=O)(c1ccc(Cl)c(Cl)c1)n1cc([C@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000028527075 563068102 /nfs/dbraw/zinc/06/81/02/563068102.db2.gz XDTDNGOPBLKLPK-IBGZPJMESA-N 0 3 485.436 6.175 1 0 JKAFHN C[C@@H]1CN(c2cccc3cc(F)ccc32)CCN1CC[C@@H]1OCCc2c(Cl)c(C(N)=O)sc21 ZINC000028528468 563068255 /nfs/dbraw/zinc/06/82/55/563068255.db2.gz CAALEIZWPZRHJM-VFNWGFHPSA-N 0 3 488.028 5.007 1 0 JKAFHN COc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000028528168 563068276 /nfs/dbraw/zinc/06/82/76/563068276.db2.gz NHGIYDWPNQLBJG-UHFFFAOYSA-N 0 3 464.393 5.313 1 0 JKAFHN Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc12 ZINC000028569688 563070568 /nfs/dbraw/zinc/07/05/68/563070568.db2.gz MUQXGLHKHJSSCE-UHFFFAOYSA-N 0 3 454.574 5.586 1 0 JKAFHN Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)CCc3ccc(OC(F)(F)F)cc3)cc12 ZINC000028570201 563070656 /nfs/dbraw/zinc/07/06/56/563070656.db2.gz ZRGODGYQZOLGQP-UHFFFAOYSA-N 0 3 474.527 5.011 1 0 JKAFHN COc1ccc(/C=C2\C[C@@H](c3ccc(OCCN4CCCCC4)cc3)Oc3cc(OC)ccc32)cc1 ZINC000028604461 563071625 /nfs/dbraw/zinc/07/16/25/563071625.db2.gz QHBIIAOFKNJKOJ-NPBIFOJTSA-N 0 3 485.624 6.633 1 0 JKAFHN Cc1ccc(C2=CC[C@@H](N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650250 563073776 /nfs/dbraw/zinc/07/37/76/563073776.db2.gz BWGKUHVGLLNUIX-HXUWFJFHSA-N 0 3 462.034 6.415 1 0 JKAFHN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccnc(OCCN4CCCC4)c3)nnc2c1 ZINC000028702875 563074793 /nfs/dbraw/zinc/07/47/93/563074793.db2.gz YHHHJKZCRBUOTD-UHFFFAOYSA-N 0 3 454.578 5.230 1 0 JKAFHN CC(C)c1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CC[N@H+](C)CC2 ZINC000028704226 563075191 /nfs/dbraw/zinc/07/51/91/563075191.db2.gz JCGVHNRXCIXGCT-UHFFFAOYSA-N 0 3 469.050 5.962 1 0 JKAFHN CC(C)c1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CC[N@@H+](C)CC2 ZINC000028704226 563075192 /nfs/dbraw/zinc/07/51/92/563075192.db2.gz JCGVHNRXCIXGCT-UHFFFAOYSA-N 0 3 469.050 5.962 1 0 JKAFHN O=S1(=O)CCC(c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)CC1 ZINC000028710037 563076029 /nfs/dbraw/zinc/07/60/29/563076029.db2.gz UGWRDFFACAHWMU-UHFFFAOYSA-N 0 3 495.641 5.495 1 0 JKAFHN O=C(CCCN1CCC(c2cccc(NC(=O)C3CCCCC3)c2)CC1)c1ccc(Cl)cc1 ZINC000028710573 563076254 /nfs/dbraw/zinc/07/62/54/563076254.db2.gz LMCSTGAXXHEOCA-UHFFFAOYSA-N 0 3 467.053 6.701 1 0 JKAFHN CN1CCC[C@@H]1COc1cc(Nc2nc3cc(Oc4ccnc5[nH]ccc54)ccc3o2)ccc1Cl ZINC000028711367 563076373 /nfs/dbraw/zinc/07/63/73/563076373.db2.gz BIJITFOSDDPLRR-QGZVFWFLSA-N 0 3 489.963 6.366 1 0 JKAFHN COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4cccc(C)c4n3)cc2)CC1 ZINC000028711430 563076494 /nfs/dbraw/zinc/07/64/94/563076494.db2.gz DZWGDUHDXDFOQC-UHFFFAOYSA-N 0 3 470.617 5.300 1 0 JKAFHN N=C(N)Nc1ccc(N2c3ccccc3C(CC3CCCCC3)=NN(Cc3ccccc3)C2=O)cc1 ZINC000028711863 563076578 /nfs/dbraw/zinc/07/65/78/563076578.db2.gz WWMSLCULYOVWHB-UHFFFAOYSA-N 0 3 480.616 6.440 1 0 JKAFHN CCN1CCC[C@@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2C)C1 ZINC000028711899 563076685 /nfs/dbraw/zinc/07/66/85/563076685.db2.gz GXCPGQHYWOEKEE-OAQYLSRUSA-N 0 3 472.032 6.424 1 0 JKAFHN CN1CCN(CCCOc2ccc(C3O[C@@H](c4ccccc4)[C@H](c4ccccc4)O3)cc2)CC1 ZINC000028816166 563079541 /nfs/dbraw/zinc/07/95/41/563079541.db2.gz FRUGMRIQPAXCAQ-NSOVKSMOSA-N 0 3 458.602 5.231 1 0 JKAFHN COc1ccc(N2Cc3cc(F)cc(C(F)(F)F)c3C2=O)cc1OCCN1CCC(C)CC1 ZINC000028819823 563080497 /nfs/dbraw/zinc/08/04/97/563080497.db2.gz WGFMMFHWGQNJEB-UHFFFAOYSA-N 0 3 466.475 5.124 1 0 JKAFHN COc1ccc(N2Cc3cc(Cl)c(Cl)c(C)c3C2=O)cc1OCCN1CCC(C)CC1 ZINC000028819809 563080521 /nfs/dbraw/zinc/08/05/21/563080521.db2.gz OETPBSVGYRUJIN-UHFFFAOYSA-N 0 3 463.405 5.582 1 0 JKAFHN FC(F)(F)c1ccc2c(c1)N(Cc1ccc(CNCc3ccccc3)cc1)c1ccccc1S2 ZINC000028821669 563080742 /nfs/dbraw/zinc/08/07/42/563080742.db2.gz CHXVLXDXACZEAJ-UHFFFAOYSA-N 0 3 476.567 7.798 1 0 JKAFHN CCN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(N[C@@H](C)c2ccccc2)n1 ZINC000028822144 563080973 /nfs/dbraw/zinc/08/09/73/563080973.db2.gz FYJHCKNLDPDGKC-FQEVSTJZSA-N 0 3 480.591 6.222 1 0 JKAFHN CSc1ccc([C@@H]2CN(C)Cc3cc(Oc4ccnc(CN5CCCCC5)c4)ccc32)cc1 ZINC000028827068 563082742 /nfs/dbraw/zinc/08/27/42/563082742.db2.gz JIAHUHYIBFOBFK-NDEPHWFRSA-N 0 3 459.659 6.159 1 0 JKAFHN CSc1ccc([C@H]2CN(C)Cc3cccc(Oc4cncc(CN5CCCCC5)c4)c32)cc1 ZINC000028827075 563082749 /nfs/dbraw/zinc/08/27/49/563082749.db2.gz QDKMCOBSBCRFOL-AREMUKBSSA-N 0 3 459.659 6.159 1 0 JKAFHN CSc1ccc([C@H]2CN(C)Cc3cc(Oc4ccc(CN5CCCCC5)nc4)ccc32)cc1 ZINC000028827081 563082851 /nfs/dbraw/zinc/08/28/51/563082851.db2.gz VLEAGNJHWYVHPR-MUUNZHRXSA-N 0 3 459.659 6.159 1 0 JKAFHN Fc1ccc(Cn2c3ccccc3nc2NC2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000028827102 563082887 /nfs/dbraw/zinc/08/28/87/563082887.db2.gz ADRXLGLHNMXDTH-UHFFFAOYSA-N 0 3 453.565 5.782 1 0 JKAFHN Cc1cccc2c(CN3CCC(Nc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)c[nH]c21 ZINC000028827103 563082905 /nfs/dbraw/zinc/08/29/05/563082905.db2.gz MFMPELJBKAXJQA-UHFFFAOYSA-N 0 3 467.592 6.090 1 0 JKAFHN CSc1ccc([C@@H]2CN(C)Cc3cc(Oc4ncc(CN5CCCCC5)s4)ccc32)cc1 ZINC000028827092 563082931 /nfs/dbraw/zinc/08/29/31/563082931.db2.gz OIWLTELSYHQZCA-VWLOTQADSA-N 0 3 465.688 6.221 1 0 JKAFHN c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)oc3ncnc(NC[C@@H]4CCCO4)c32)cc1 ZINC000028879166 563084628 /nfs/dbraw/zinc/08/46/28/563084628.db2.gz YSWLNXFQMMFDFG-DEOSSOPVSA-N 0 3 484.600 5.622 1 0 JKAFHN CC(C)(C)Nc1ncnc2oc(-c3ccc(OCCN4CCCC4)cc3)c(-c3ccccc3)c21 ZINC000028879384 563084655 /nfs/dbraw/zinc/08/46/55/563084655.db2.gz GZBRMTRCRSMBNA-UHFFFAOYSA-N 0 3 456.590 6.242 1 0 JKAFHN COc1ccc2nccc([C@H]3CN(C4CCN(Cc5ccc(-c6ccccc6)cc5)CC4)C(=O)O3)c2c1 ZINC000028893669 563085416 /nfs/dbraw/zinc/08/54/16/563085416.db2.gz YTHZHYKZFKMXRA-SSEXGKCCSA-N 0 3 493.607 6.068 1 0 JKAFHN O=C1NC(=Cc2ccc(CNCc3ccccc3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899232 563085991 /nfs/dbraw/zinc/08/59/91/563085991.db2.gz KJHXABIIBLNPFV-USHMODERSA-N 0 3 475.548 5.866 1 0 JKAFHN CCN(CCc1ccccc1)Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1C ZINC000028903403 563086565 /nfs/dbraw/zinc/08/65/65/563086565.db2.gz YJVHONZZJXYMFG-UHFFFAOYSA-N 0 3 451.618 5.971 1 0 JKAFHN Clc1ccc([C@H](c2ccccc2)c2c(OCCN3CCCCC3)ccc3ccccc32)cc1 ZINC000028955522 563088291 /nfs/dbraw/zinc/08/82/91/563088291.db2.gz GCHOVNSDTAIRRF-LJAQVGFWSA-N 0 3 456.029 7.538 1 0 JKAFHN NC(=O)c1ccc2[nH]c(-c3ccc(OCC[C@H]4CCCCN4Cc4ccc(Cl)cc4)cc3)nc2c1 ZINC000028960877 563088942 /nfs/dbraw/zinc/08/89/42/563088942.db2.gz OLGDSVAGYXUQFQ-HSZRJFAPSA-N 0 3 489.019 5.806 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2ccc(F)cc2F)n1 ZINC000028963623 563089188 /nfs/dbraw/zinc/08/91/88/563089188.db2.gz RYAUKJBPYVTWGW-UHFFFAOYSA-N 0 3 488.517 5.549 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2cc(F)ccc2F)n1 ZINC000028963632 563089200 /nfs/dbraw/zinc/08/92/00/563089200.db2.gz YWNRPWGWJNOQBS-UHFFFAOYSA-N 0 3 488.517 5.549 1 0 JKAFHN O=C(NCCNCc1ccc2ccccc2c1)c1ccc2nc(NCc3ccccc3)sc2c1 ZINC000028967596 563089474 /nfs/dbraw/zinc/08/94/74/563089474.db2.gz LJVISOICAADKIG-UHFFFAOYSA-N 0 3 466.610 5.581 1 0 JKAFHN C[C@H](CCCN1CCCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978180 563090250 /nfs/dbraw/zinc/09/02/50/563090250.db2.gz CKUYNDITDOVHET-GOSISDBHSA-N 0 3 485.477 5.336 1 0 JKAFHN CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCC[C@H](O)C2)c2ccccc21 ZINC000029037842 563090607 /nfs/dbraw/zinc/09/06/07/563090607.db2.gz LATWYLCTZRFXDK-VWLOTQADSA-N 0 3 489.704 6.289 1 0 JKAFHN CC(=O)c1ccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)[N-]C3=O)cc1 ZINC000029049016 563092794 /nfs/dbraw/zinc/09/27/94/563092794.db2.gz MLSUJMJHUFTTLX-VEILYXNESA-N 0 3 494.595 5.342 1 0 JKAFHN COc1ccccc1Nc1ccc2c(c1)C(=CNc1ccc(C[NH+]3CCCCC3)cc1)C(=O)[N-]C2=O ZINC000029049441 563092886 /nfs/dbraw/zinc/09/28/86/563092886.db2.gz LTXSDVMDKQYTOW-BWAHOGKJSA-N 0 3 482.584 5.148 1 0 JKAFHN CC[C@@]1(CCCCN2CCN(c3ccccc3OC)CC2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000029052791 563093149 /nfs/dbraw/zinc/09/31/49/563093149.db2.gz VCJCWDIJWRZRLQ-JGCGQSQUSA-N 0 3 497.683 5.882 1 0 JKAFHN CC[C@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2cc(F)c(Cl)cc21 ZINC000029052743 563093176 /nfs/dbraw/zinc/09/31/76/563093176.db2.gz CXBILXFGXPBMDJ-XMMPIXPASA-N 0 3 464.412 5.725 1 0 JKAFHN O=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000029123096 563094156 /nfs/dbraw/zinc/09/41/56/563094156.db2.gz WMDSRNHHAWCPPN-UHFFFAOYSA-N 0 3 454.545 6.166 1 0 JKAFHN CC1(NC(=O)c2ccccc2-c2ccccc2)CCN(Cc2ccc3cc(F)ccc3c2)CC1 ZINC000029123430 563094254 /nfs/dbraw/zinc/09/42/54/563094254.db2.gz GWYXBOAOMUWHGP-UHFFFAOYSA-N 0 3 452.573 6.430 1 0 JKAFHN Cc1cccc(SCc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134600 563098025 /nfs/dbraw/zinc/09/80/25/563098025.db2.gz IHBOQFFLDKEZOC-UHFFFAOYSA-N 0 3 487.673 5.600 1 0 JKAFHN CCN1CCC[C@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3cc(Cl)ccc32)C1 ZINC000029205804 563098375 /nfs/dbraw/zinc/09/83/75/563098375.db2.gz WCHAKXVGHFWGGI-HNNXBMFYSA-N 0 3 450.801 6.230 1 0 JKAFHN COc1ccc([C@@]2(c3ccc(OCCN(C)C)cc3)[C@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000029404734 563102830 /nfs/dbraw/zinc/10/28/30/563102830.db2.gz LWYSPLVNMSFSTO-LOSJGSFVSA-N 0 3 456.413 5.893 1 0 JKAFHN CN(CCNc1nc2cc(Cl)c(Cl)cc2[nH]1)CCNc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000029406445 563102902 /nfs/dbraw/zinc/10/29/02/563102902.db2.gz RPXNBYNLXIIKFU-UHFFFAOYSA-N 0 3 487.222 5.509 1 0 JKAFHN CCOc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000029561111 563107087 /nfs/dbraw/zinc/10/70/87/563107087.db2.gz GFUXDGSOGUBYEW-UHFFFAOYSA-N 0 3 454.618 5.602 1 0 JKAFHN COc1ccc(OCCCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029566684 563107401 /nfs/dbraw/zinc/10/74/01/563107401.db2.gz RONIMSYKESHVMU-UHFFFAOYSA-N 0 3 488.607 5.578 1 0 JKAFHN Fc1ccc(Cn2c3ccc(Cl)cc3nc2NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000029569404 563107635 /nfs/dbraw/zinc/10/76/35/563107635.db2.gz KFGLWLRQKHVRLP-UHFFFAOYSA-N 0 3 463.000 5.996 1 0 JKAFHN Clc1cccc(N2CCN(CCCN3CCc4c5ccccc5[nH]c4[C@@H]3c3cccnc3)CC2)c1 ZINC000031829933 563108538 /nfs/dbraw/zinc/10/85/38/563108538.db2.gz SWRGZBWFGHMEOU-LJAQVGFWSA-N 0 3 486.063 5.376 1 0 JKAFHN COc1ccc(C2=C(c3ccccc3)C(C)(C)Oc3cc(OCCN4CCCC4)ccc32)cc1 ZINC000033827356 563110982 /nfs/dbraw/zinc/11/09/82/563110982.db2.gz ATIQHGPPONAFDA-UHFFFAOYSA-N 0 3 455.598 6.300 1 0 JKAFHN c1ccc(COc2ccc(CN3CCCN(Cc4ccc(OCc5ccccc5)cc4)CC3)cc2)cc1 ZINC000034081754 563112102 /nfs/dbraw/zinc/11/21/02/563112102.db2.gz FPRDRUFPXKOCGG-UHFFFAOYSA-N 0 3 492.663 6.553 1 0 JKAFHN C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c([C@@H](CN(C)C)c3ccccc3)nnc21 ZINC000034187047 563112442 /nfs/dbraw/zinc/11/24/42/563112442.db2.gz SWOIADWBLRUHCX-MBSDFSHPSA-N 0 3 455.993 5.526 1 0 JKAFHN C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](NC(N)=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034272363 563112948 /nfs/dbraw/zinc/11/29/48/563112948.db2.gz YQWFRRKEAFMCAV-XWRIVVANSA-N 0 3 489.460 5.118 1 0 JKAFHN COc1ccc(-c2c(C)c3cc(OC)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000034358534 563113302 /nfs/dbraw/zinc/11/33/02/563113302.db2.gz QEFAONBWYHMKGM-UHFFFAOYSA-N 0 3 484.640 6.547 1 0 JKAFHN O=C(Nc1cccc(F)c1)Nc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(F)c(F)c1 ZINC000034638053 563114325 /nfs/dbraw/zinc/11/43/25/563114325.db2.gz OBHFOTLCPRPWNS-UHFFFAOYSA-N 0 3 498.505 5.366 1 0 JKAFHN O=c1c2ccc(NC3CCN(Cc4ccccc4)CC3)cc2n2ccnc2n1-c1cccc(Cl)c1 ZINC000034948421 563117643 /nfs/dbraw/zinc/11/76/43/563117643.db2.gz CPGCLEINYJDPDU-UHFFFAOYSA-N 0 3 484.003 5.368 1 0 JKAFHN COC(=O)c1cccc([C@]2(C)C[C@@H]3CN(Cc4ccccc4)[C@@H](c4ccccc4)CN3C[C@@H]2C)c1 ZINC000035075236 563118781 /nfs/dbraw/zinc/11/87/81/563118781.db2.gz WAWBXLWGGYKPAP-LVFBFGQISA-N 0 3 468.641 5.698 1 0 JKAFHN C[C@H]1CN2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(C(N)=O)c1 ZINC000035075237 563118820 /nfs/dbraw/zinc/11/88/20/563118820.db2.gz DRPSVNHQYIQOPX-XDFFSJMGSA-N 0 3 453.630 5.011 1 0 JKAFHN Cc1cccc(NC(=O)Nc2ccc(-c3ccc(OCCN4CCCC4)c4[nH]nc(N)c43)cc2)c1 ZINC000035323777 563120085 /nfs/dbraw/zinc/12/00/85/563120085.db2.gz CQQHPXAPMGAALV-UHFFFAOYSA-N 0 3 470.577 5.239 1 0 JKAFHN Clc1cccc(N2CCN(CCCCCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC000035985316 563121706 /nfs/dbraw/zinc/12/17/06/563121706.db2.gz YWGRWBCJUGEEBA-UHFFFAOYSA-N 0 3 475.508 5.498 1 0 in-vivo JKAFHN C[C@@H](c1ccccc1)c1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)CCO)ccn32)n1 ZINC000036161131 563123067 /nfs/dbraw/zinc/12/30/67/563123067.db2.gz JKNXXLGFUXVVPB-FQEVSTJZSA-N 0 3 481.575 5.173 1 0 JKAFHN CCN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc([C@@H](C)c2ccccc2)n1 ZINC000036161136 563123070 /nfs/dbraw/zinc/12/30/70/563123070.db2.gz MEOSPERBNLGZCU-FQEVSTJZSA-N 0 3 465.576 6.201 1 0 JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000036285740 563125237 /nfs/dbraw/zinc/12/52/37/563125237.db2.gz NFJPILFYQJBQHZ-VWLOTQADSA-N 0 3 499.577 5.632 1 0 JKAFHN Cc1cccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c1 ZINC000036285457 563125253 /nfs/dbraw/zinc/12/52/53/563125253.db2.gz TXPALBTXULCUGS-QHCPKHFHSA-N 0 3 461.572 5.341 1 0 JKAFHN Cc1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c(C)c1 ZINC000036285665 563125295 /nfs/dbraw/zinc/12/52/95/563125295.db2.gz RRPIWCKFHNESDZ-QFIPXVFZSA-N 0 3 477.571 5.096 1 0 JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccccc2Cl)CC1 ZINC000036285660 563125299 /nfs/dbraw/zinc/12/52/99/563125299.db2.gz QKZLTHPAAPYYQY-FQEVSTJZSA-N 0 3 483.962 5.132 1 0 JKAFHN CC(C)C[C@H](N)c1cc(F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285523 563125311 /nfs/dbraw/zinc/12/53/11/563125311.db2.gz MZPJBMMPFNXENJ-QFIPXVFZSA-N 0 3 466.428 5.460 1 0 JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccccc2F)CC1 ZINC000036285389 563125315 /nfs/dbraw/zinc/12/53/15/563125315.db2.gz AKQUFOFELDSFGJ-QFIPXVFZSA-N 0 3 465.535 5.172 1 0 JKAFHN COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](N)CC(C)C)CC1 ZINC000036285882 563125394 /nfs/dbraw/zinc/12/53/94/563125394.db2.gz XQRMVGKJRPGNEB-JPYJTQIMSA-N 0 3 492.491 5.575 1 0 JKAFHN Cc1ccc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c(C)c1 ZINC000036285868 563125398 /nfs/dbraw/zinc/12/53/98/563125398.db2.gz WQWYZEABOSKYSV-OFVILXPXSA-N 0 3 489.626 5.896 1 0 JKAFHN CN(C)[C@@H]1CCN(c2ccc(-c3cn(C)c4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1 ZINC000036351540 563126951 /nfs/dbraw/zinc/12/69/51/563126951.db2.gz HJIIGHOMSAWNSK-JOCHJYFZSA-N 0 3 458.993 5.061 1 0 JKAFHN CN(C)[C@@H]1CCN(c2ccc(-c3coc4cc(Oc5ccc(Cl)cc5)ccc4c3=O)cn2)C1 ZINC000036351551 563126961 /nfs/dbraw/zinc/12/69/61/563126961.db2.gz LNUNJEQAQIMUJF-LJQANCHMSA-N 0 3 461.949 5.441 1 0 JKAFHN CN(C)[C@H]1CCN(c2ccc(-c3coc4cc(-c5cnccc5C(F)(F)F)ccc4c3=O)cn2)C1 ZINC000036351546 563126970 /nfs/dbraw/zinc/12/69/70/563126970.db2.gz RYGNGVJAAJRDMC-SFHVURJKSA-N 0 3 480.490 5.076 1 0 JKAFHN Cc1cc(Cl)ccc1-c1ccc2c(c1)occ(-c1ccc(N3CC[C@H](N(C)C)C3)nc1)c2=O ZINC000036351572 563126991 /nfs/dbraw/zinc/12/69/91/563126991.db2.gz LJMOIBPUAGWTOI-NRFANRHFSA-N 0 3 459.977 5.624 1 0 JKAFHN Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1C ZINC000036351791 563127055 /nfs/dbraw/zinc/12/70/55/563127055.db2.gz OEBDOFXKWLNXSK-RRPNLBNLSA-N 0 3 497.639 5.664 1 0 JKAFHN C[C@@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc21 ZINC000036476083 563130450 /nfs/dbraw/zinc/13/04/50/563130450.db2.gz WWABBSQIRKPECQ-UOKFIYJESA-N 0 3 492.563 5.679 1 0 JKAFHN Cn1c(CN2CCCC2)cc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc21 ZINC000038149681 563132051 /nfs/dbraw/zinc/13/20/51/563132051.db2.gz MIYQNLFTRRTMNL-UHFFFAOYSA-N 0 3 475.017 5.855 1 0 JKAFHN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CCCC3)ccc2c1 ZINC000038149735 563132210 /nfs/dbraw/zinc/13/22/10/563132210.db2.gz QOKPEQZKMJABFG-UHFFFAOYSA-N 0 3 473.001 5.912 1 0 JKAFHN Cc1cc(O)ccc1-c1c(Cl)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1 ZINC000038383275 563134121 /nfs/dbraw/zinc/13/41/21/563134121.db2.gz QFGIIRQJHPVWMH-UHFFFAOYSA-N 0 3 491.031 6.594 1 0 JKAFHN CC(=O)O[C@H](Cc1ccccc1)CN1CCN(CCCCn2c3ccccc3c3ccccc32)CC1 ZINC000040379486 563137232 /nfs/dbraw/zinc/13/72/32/563137232.db2.gz RSMGUCGGAWMGDC-HHHXNRCGSA-N 0 3 483.656 5.367 1 0 JKAFHN COc1ccc2c3c1O[C@H]1c4c(c5cccc6c5n4CCC6(C)C)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000040379876 563137428 /nfs/dbraw/zinc/13/74/28/563137428.db2.gz XNSAEASELAYOGW-AUMOWIEMSA-N 0 3 496.651 5.030 1 0 JKAFHN c1ccc(CCCCCN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040392741 563138059 /nfs/dbraw/zinc/13/80/59/563138059.db2.gz FQLCKZJUBGBCOP-UHFFFAOYSA-N 0 3 453.674 6.605 1 0 JKAFHN CCN(C(=O)Cc1ccc(C)cc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040394069 563138621 /nfs/dbraw/zinc/13/86/21/563138621.db2.gz DJELOVCIKWYXEF-GIGWZHCTSA-N 0 3 489.704 5.287 1 0 JKAFHN COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1NCCN1CCCCC1 ZINC000040409610 563140545 /nfs/dbraw/zinc/14/05/45/563140545.db2.gz YHGSJALOKNKHQN-UHFFFAOYSA-N 0 3 488.419 5.291 1 0 JKAFHN COc1cccc(CCc2ccccc2OCCCCN2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000040420862 563141441 /nfs/dbraw/zinc/14/14/41/563141441.db2.gz GXAYQOXIRCFABO-UHFFFAOYSA-N 0 3 475.629 5.715 1 0 JKAFHN CSc1ccc2c(c1)C(c1ccccc1)=NCc1nnc([C@H](CN(C)C)c3ccccc3)n1-2 ZINC000040466997 563144397 /nfs/dbraw/zinc/14/43/97/563144397.db2.gz LHOMPYJVKAIVME-HSZRJFAPSA-N 0 3 453.615 5.034 1 0 JKAFHN CN(C)C[C@@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1cccc(Cl)c1 ZINC000040503850 563144696 /nfs/dbraw/zinc/14/46/96/563144696.db2.gz RMIWGNJAEJQEFB-JOCHJYFZSA-N 0 3 476.411 5.619 1 0 JKAFHN CN(C)C[C@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1cccc(Cl)c1 ZINC000040503847 563144723 /nfs/dbraw/zinc/14/47/23/563144723.db2.gz RMIWGNJAEJQEFB-QFIPXVFZSA-N 0 3 476.411 5.619 1 0 JKAFHN COc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040505761 563145004 /nfs/dbraw/zinc/14/50/04/563145004.db2.gz WGGVFRHTPFPFLE-UHFFFAOYSA-N 0 3 467.556 5.390 1 0 JKAFHN COc1cccc(OC)c1OCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040505736 563145031 /nfs/dbraw/zinc/14/50/31/563145031.db2.gz NXYHAQNTOADLOT-UHFFFAOYSA-N 0 3 497.582 5.399 1 0 JKAFHN COc1ccc(N2CC[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000040567503 563146125 /nfs/dbraw/zinc/14/61/25/563146125.db2.gz OYIQCZLWRTXCFS-RUZDIDTESA-N 0 3 477.432 5.561 1 0 JKAFHN COc1ccc(N2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)(C)CC1 ZINC000040763319 563147984 /nfs/dbraw/zinc/14/79/84/563147984.db2.gz WREWYZJKMRIQMH-FQEVSTJZSA-N 0 3 491.459 6.023 1 0 JKAFHN COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)ccc3c2=O)ccc1OCCN1CCCC1 ZINC000040764325 563148283 /nfs/dbraw/zinc/14/82/83/563148283.db2.gz QVFFMGLKNMKANX-UHFFFAOYSA-N 0 3 475.976 5.189 1 0 JKAFHN COc1cc2c(cc1OCc1ccccc1)[C@H](Cc1ccc(OCc3ccccc3)cc1)NCC2 ZINC000040835221 563148950 /nfs/dbraw/zinc/14/89/50/563148950.db2.gz XJDFIDRLFSFTJH-LJAQVGFWSA-N 0 3 465.593 6.283 1 0 JKAFHN COc1ccccc1SC[C@H](CN[C@@H]1COc2ccccc2SC1)OC(=O)c1ccccc1 ZINC000040835208 563148957 /nfs/dbraw/zinc/14/89/57/563148957.db2.gz FTKQUYJTJLSNKZ-RTWAWAEBSA-N 0 3 481.639 5.156 1 0 JKAFHN C(=C/c1ccccc1)\CN1CCN(CCCCCCCCn2c3ccccc3c3ccccc32)CC1 ZINC000040847045 563149329 /nfs/dbraw/zinc/14/93/29/563149329.db2.gz FHLKTNRAXSIBSB-SAPNQHFASA-N 0 3 479.712 7.466 1 0 JKAFHN CCN(C(=O)c1ccc(F)cc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040863474 563150631 /nfs/dbraw/zinc/15/06/31/563150631.db2.gz ROMDHEDAKJAJKM-IDISGSTGSA-N 0 3 479.640 5.188 1 0 JKAFHN CCN(C(=O)c1ccc(OC)cc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040864064 563150683 /nfs/dbraw/zinc/15/06/83/563150683.db2.gz QSYUMABLKKWHMQ-DFHRPNOPSA-N 0 3 491.676 5.058 1 0 JKAFHN CCN(C(=O)Cc1ccc(F)cc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040867218 563151319 /nfs/dbraw/zinc/15/13/19/563151319.db2.gz BGCIDNAGNOLNPE-DWACAAAGSA-N 0 3 493.667 5.117 1 0 JKAFHN CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c(N2CCNCC2)n1 ZINC000040874926 563152146 /nfs/dbraw/zinc/15/21/46/563152146.db2.gz GDWQUUCPLCSPGR-UHFFFAOYSA-N 0 3 492.454 6.373 1 0 JKAFHN Cc1c(CN(C(C)C)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040878199 563152676 /nfs/dbraw/zinc/15/26/76/563152676.db2.gz OEBWHDOAVPZPLA-UHFFFAOYSA-N 0 3 490.906 8.351 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc4ccccc4n3)cc1)CC2 ZINC000040898871 563154465 /nfs/dbraw/zinc/15/44/65/563154465.db2.gz SVOYOGJLJFYPQH-UHFFFAOYSA-N 0 3 467.569 5.105 1 0 JKAFHN CCCN1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4ccccc4C(N)=O)n3)c(OC)c2)C1 ZINC000040918986 563156453 /nfs/dbraw/zinc/15/64/53/563156453.db2.gz JVXJTJQMTBZMJY-UHFFFAOYSA-N 0 3 497.603 5.052 1 0 JKAFHN CN(C)Cc1ccccc1Sc1ccc(Br)cc1NC(=O)c1ccc(F)cc1 ZINC000040950080 563159305 /nfs/dbraw/zinc/15/93/05/563159305.db2.gz RFQRIBDCFRIQJX-UHFFFAOYSA-N 0 3 459.384 6.053 1 0 JKAFHN CN(C)CCSC(=S)N(C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000040951925 563159747 /nfs/dbraw/zinc/15/97/47/563159747.db2.gz NSXJHUPJHMCRHH-FQEVSTJZSA-N 0 3 456.599 5.727 1 0 JKAFHN C[C@@H](N[C@@H]1C[C@H](c2cccc(OCCF)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 ZINC000040956643 563160976 /nfs/dbraw/zinc/16/09/76/563160976.db2.gz IXKWGEYSEZLERR-ZYKLXPEUSA-N 0 3 486.509 6.251 1 0 JKAFHN Cc1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040956852 563161051 /nfs/dbraw/zinc/16/10/51/563161051.db2.gz GYUPRLSGDLPQAT-UHFFFAOYSA-N 0 3 495.067 6.166 1 0 JKAFHN COc1cccc([C@@H](C)NC(=O)c2ccc(CC3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)c1 ZINC000042964250 563163861 /nfs/dbraw/zinc/16/38/61/563163861.db2.gz AXLJNTIGRWNBSE-OAQYLSRUSA-N 0 3 486.612 5.370 1 0 JKAFHN COc1cc(OC)c(OC)cc1CN1CCC[C@@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000043041497 563165445 /nfs/dbraw/zinc/16/54/45/563165445.db2.gz YCFHNXBBJUSNJO-QGZVFWFLSA-N 0 3 475.511 5.501 1 0 JKAFHN O=C(CN1CCCCC1)Nc1cc(CN2CCCCC2)cc(Nc2ccnc3ccc(Cl)cc32)c1 ZINC000043061631 563165834 /nfs/dbraw/zinc/16/58/34/563165834.db2.gz MWHROOHRHJUXDD-UHFFFAOYSA-N 0 3 492.067 6.042 1 0 JKAFHN Cc1ccccc1CNC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000043061638 563165842 /nfs/dbraw/zinc/16/58/42/563165842.db2.gz IYDOWMFSECKFHS-UHFFFAOYSA-N 0 3 456.586 5.108 1 0 JKAFHN O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCC[C@@H]1c1cccnc1 ZINC000043069918 563166233 /nfs/dbraw/zinc/16/62/33/563166233.db2.gz SRXKNIWFNXRRCM-RUZDIDTESA-N 0 3 497.565 5.402 1 0 JKAFHN CCc1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045167071 563172937 /nfs/dbraw/zinc/17/29/37/563172937.db2.gz NUQLPSRKPJYMHU-FQEVSTJZSA-N 0 3 472.576 6.248 1 0 JKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 ZINC000045168054 563173405 /nfs/dbraw/zinc/17/34/05/563173405.db2.gz DTYLDXCKQFPPKY-UHFFFAOYSA-N 0 3 462.956 5.417 1 0 JKAFHN Fc1cc(Cl)ccc1Nc1ccnc2cc(-c3scnc3CNCCN3CCOCC3)ccc21 ZINC000045167807 563173415 /nfs/dbraw/zinc/17/34/15/563173415.db2.gz IPUAOVSMKIRSIE-UHFFFAOYSA-N 0 3 498.027 5.316 1 0 JKAFHN Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000045168375 563173639 /nfs/dbraw/zinc/17/36/39/563173639.db2.gz GQTCVGANRDYWJZ-RUZDIDTESA-N 0 3 455.533 5.588 1 0 JKAFHN COc1ccc(CN2CCCN(Cc3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)CC2)cc1 ZINC000045168380 563173652 /nfs/dbraw/zinc/17/36/52/563173652.db2.gz CWZUTTZDSMBAPE-UHFFFAOYSA-N 0 3 498.454 5.962 1 0 JKAFHN O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000045186514 563174073 /nfs/dbraw/zinc/17/40/73/563174073.db2.gz PEGOYHLOTUFQLL-UHFFFAOYSA-N 0 3 468.428 5.954 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccc(O)cc3)CC2)c1)c1ccc(Br)cc1 ZINC000045187006 563174318 /nfs/dbraw/zinc/17/43/18/563174318.db2.gz TXIJVOKHRNVDKT-UHFFFAOYSA-N 0 3 494.433 5.115 1 0 JKAFHN CS(=O)(=O)c1ccc(CNCc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)cc2)cc1 ZINC000045187003 563174380 /nfs/dbraw/zinc/17/43/80/563174380.db2.gz MHHFFEWKDTXUIP-UHFFFAOYSA-N 0 3 491.613 5.791 1 0 JKAFHN c1cc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccn3)cc2)oc1CN1CCCCC1 ZINC000045187098 563174385 /nfs/dbraw/zinc/17/43/85/563174385.db2.gz CYGOHFHPUFEMOC-UHFFFAOYSA-N 0 3 476.580 7.412 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccsc3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045188805 563174970 /nfs/dbraw/zinc/17/49/70/563174970.db2.gz SJIDNCWMPUFYAQ-UHFFFAOYSA-N 0 3 481.665 6.375 1 0 JKAFHN COc1ccc2ccccc2c1CCCCN1CCN(C[C@H](c2ccc(F)cc2)N2CCC2)CC1 ZINC000045188869 563175058 /nfs/dbraw/zinc/17/50/58/563175058.db2.gz GPRJURLPMBOELP-GDLZYMKVSA-N 0 3 475.652 5.375 1 0 JKAFHN OCC1CCN(Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)CC1 ZINC000045189397 563175161 /nfs/dbraw/zinc/17/51/61/563175161.db2.gz ASQUGWICQHZJRG-UHFFFAOYSA-N 0 3 471.548 6.182 1 0 JKAFHN O=C(N[C@H]1CCN(Cc2ccc(OCCN3CCCC3)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000045190064 563175395 /nfs/dbraw/zinc/17/53/95/563175395.db2.gz DNARKZAIDWEXCU-IBGZPJMESA-N 0 3 496.866 5.126 1 0 JKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC000045190507 563175582 /nfs/dbraw/zinc/17/55/82/563175582.db2.gz REAGGWVVFJSHFC-UHFFFAOYSA-N 0 3 478.423 6.536 1 0 JKAFHN CC(C)(C)c1ccc(NC(=O)c2cccc(CN3CCCN(Cc4ccc(F)cc4)CC3)c2)cc1 ZINC000045191693 563175915 /nfs/dbraw/zinc/17/59/15/563175915.db2.gz SKPDTDONHORJCG-UHFFFAOYSA-N 0 3 473.636 6.083 1 0 JKAFHN COc1ccc(CN2CCCN(Cc3cccc(NC(=O)c4cc5ccccc5s4)c3)CC2)cc1 ZINC000045192080 563176109 /nfs/dbraw/zinc/17/61/09/563176109.db2.gz LEMUFQUGYAOUFI-UHFFFAOYSA-N 0 3 485.653 5.870 1 0 JKAFHN c1cc(-c2cccc(CN3CCN(c4ccncc4)CC3)c2)sc1-c1nc2ccccc2[nH]1 ZINC000045193609 563176751 /nfs/dbraw/zinc/17/67/51/563176751.db2.gz UVWCCDANPBBUHK-UHFFFAOYSA-N 0 3 451.599 5.676 1 0 JKAFHN O=C(Nc1cccc(OC2CCN(Cc3ccccc3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045193603 563176816 /nfs/dbraw/zinc/17/68/16/563176816.db2.gz LCTAGRAFQNFWLI-UHFFFAOYSA-N 0 3 455.385 6.289 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3cccc(F)c3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045193819 563176830 /nfs/dbraw/zinc/17/68/30/563176830.db2.gz XIZJQZVYJTVUAO-UHFFFAOYSA-N 0 3 486.418 6.093 1 0 JKAFHN c1cc(-c2cc3c(cn2)ncnc3Nc2ccc(OCc3ccccc3)cc2)oc1CN1CCCCC1 ZINC000045194510 563177161 /nfs/dbraw/zinc/17/71/61/563177161.db2.gz HFLIIKDYKWPBME-UHFFFAOYSA-N 0 3 491.595 6.593 1 0 JKAFHN CN1CCN(Cc2ccc(-c3ccc4c(c3)nccc4Nc3ccc(Oc4ccccc4)cc3)o2)CC1 ZINC000045195497 563177501 /nfs/dbraw/zinc/17/75/01/563177501.db2.gz JGAFKNJCVDPVFU-UHFFFAOYSA-N 0 3 490.607 6.778 1 0 JKAFHN O=C(C=Cc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000045195569 563177588 /nfs/dbraw/zinc/17/75/88/563177588.db2.gz LJDURJDXTXJFCV-MDWZMJQESA-N 0 3 471.004 5.677 1 0 JKAFHN CC(=O)Nc1cccc(CNCc2ccc(-c3cnc(N4CCC[C@H](c5ccccc5)C4)nc3)cc2)c1 ZINC000045195733 563177607 /nfs/dbraw/zinc/17/76/07/563177607.db2.gz LMMSGRVLWAYDKC-NDEPHWFRSA-N 0 3 491.639 5.776 1 0 JKAFHN COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1CN1CCCN(C)CC1 ZINC000045195759 563177674 /nfs/dbraw/zinc/17/76/74/563177674.db2.gz OIEVBIJURUDSRZ-UHFFFAOYSA-N 0 3 481.999 5.545 1 0 JKAFHN FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CNCc5ccccc5)cc4)cc3)nc2c1 ZINC000045201256 563178070 /nfs/dbraw/zinc/17/80/70/563178070.db2.gz TYYGPVNCPQFCBO-UHFFFAOYSA-N 0 3 457.499 7.206 1 0 JKAFHN CCc1cc2c(cc1OCCN(C)C)N(C(=O)Nc1ccc(-c3ccncc3)c(Cl)c1)CC2 ZINC000045201846 563178471 /nfs/dbraw/zinc/17/84/71/563178471.db2.gz FSDLFTRDHVRSJH-UHFFFAOYSA-N 0 3 464.997 5.499 1 0 JKAFHN Fc1ccc2nc(-c3ccc(-c4ccc(CN5CCN(c6cnccn6)CC5)cc4)s3)[nH]c2c1 ZINC000045202281 563178606 /nfs/dbraw/zinc/17/86/06/563178606.db2.gz HZLRABPIYVLJMX-UHFFFAOYSA-N 0 3 470.577 5.210 1 0 JKAFHN CN(C)Cc1ccc(-c2ccc(NC(=O)c3ccc4c(c3)ncn(Cc3ccccc3)c4=O)cc2)cc1 ZINC000045202394 563178706 /nfs/dbraw/zinc/17/87/06/563178706.db2.gz ZYKNCGPXKXWWJE-UHFFFAOYSA-N 0 3 488.591 5.426 1 0 JKAFHN Fc1cc(CN2CCCC2)ccc1OCCCN1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000045209844 563179204 /nfs/dbraw/zinc/17/92/04/563179204.db2.gz VHSYKPDTNIDCCL-UHFFFAOYSA-N 0 3 466.428 5.319 1 0 JKAFHN Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(OCCN(C)C)cc(C(F)(F)F)c1)CC2 ZINC000045210150 563179348 /nfs/dbraw/zinc/17/93/48/563179348.db2.gz IOHFBPCTQCQNJK-UHFFFAOYSA-N 0 3 475.433 5.568 1 0 JKAFHN O=S(=O)([N-]c1ccc(CCN2CCC([NH+]3CCCCC3)CC2)cc1)c1ccc2ccccc2c1 ZINC000045226643 563179728 /nfs/dbraw/zinc/17/97/28/563179728.db2.gz UFHNZHOCNXGFQH-UHFFFAOYSA-N 0 3 477.674 5.133 1 0 JKAFHN CC(C)NC(=O)c1cccc(-c2cccc(OCCN3CCSC[C@@H]3c3ccccc3)c2)c1 ZINC000045227269 563180012 /nfs/dbraw/zinc/18/00/12/563180012.db2.gz STAQIPUZPUJITP-HHHXNRCGSA-N 0 3 460.643 5.661 1 0 JKAFHN COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(-c4noc(C)n4)cc3)cc2)cc1OCCN(C)C ZINC000045227288 563180065 /nfs/dbraw/zinc/18/00/65/563180065.db2.gz VVKSRDULODAPOH-FRKPEAEDSA-N 0 3 498.583 5.313 1 0 JKAFHN C[C@@H]1C[C@@H](NCCCNc2cc(=O)c3ccccc3[nH]2)c2cc(Cl)c(Cl)c(Cl)c21 ZINC000045227731 563180158 /nfs/dbraw/zinc/18/01/58/563180158.db2.gz VPQQBXYJMKGVQV-SJKOYZFVSA-N 0 3 450.797 6.128 1 0 JKAFHN CN(C)CCNCc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)o1 ZINC000045228085 563180338 /nfs/dbraw/zinc/18/03/38/563180338.db2.gz YRCHJGHKMSBRSK-UHFFFAOYSA-N 0 3 478.596 6.682 1 0 JKAFHN COc1cccc(CN2CCCN(Cc3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)CC2)c1 ZINC000045228358 563180433 /nfs/dbraw/zinc/18/04/33/563180433.db2.gz SXWUJBOQGSAIMY-UHFFFAOYSA-N 0 3 498.454 5.962 1 0 JKAFHN FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CNC[C@@H]5CCCO5)cc4)s3)nc2c1 ZINC000045228490 563180436 /nfs/dbraw/zinc/18/04/36/563180436.db2.gz MLDKNYIBPOAVJX-SFHVURJKSA-N 0 3 457.521 6.246 1 0 JKAFHN CN(C)Cc1cccc2[nH]c(-c3csc(Cc4cc(Cl)ccc4OCc4ccccc4)n3)nc21 ZINC000045229007 563180711 /nfs/dbraw/zinc/18/07/11/563180711.db2.gz RXLHAAWCCDFWFY-UHFFFAOYSA-N 0 3 489.044 6.571 1 0 JKAFHN c1snnc1-c1ccc(CNCc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)cc1 ZINC000045229605 563180828 /nfs/dbraw/zinc/18/08/28/563180828.db2.gz LLSLEHAYWKAHAZ-UHFFFAOYSA-N 0 3 473.605 6.705 1 0 JKAFHN O=C(c1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1)N1CCCC[C@H]1CN1CC[C@H](O)C1 ZINC000045229611 563180906 /nfs/dbraw/zinc/18/09/06/563180906.db2.gz XSKSEXCNQSYOFN-UIOOFZCWSA-N 0 3 498.602 5.097 1 0 JKAFHN CC(C)c1ccc(NC(=O)c2ccc(CN3CCCN(Cc4cccc(O)c4)CC3)cc2)cc1 ZINC000045230252 563181058 /nfs/dbraw/zinc/18/10/58/563181058.db2.gz JOSRDKMSYCVTSF-UHFFFAOYSA-N 0 3 457.618 5.476 1 0 JKAFHN CN1CC[C@@H](Oc2cc(CNC(=O)c3ccc(-c4ccc(Cl)cc4)s3)ccc2C(F)(F)F)C1 ZINC000045231007 563181392 /nfs/dbraw/zinc/18/13/92/563181392.db2.gz KHXVCBLGQIXSIH-GOSISDBHSA-N 0 3 494.966 6.100 1 0 JKAFHN Cn1nccc1-c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1OCCN1CCCCC1 ZINC000045253203 563182049 /nfs/dbraw/zinc/18/20/49/563182049.db2.gz KJWDKQZUAKOKBX-UHFFFAOYSA-N 0 3 453.974 5.249 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccco3)CC2)cc1 ZINC000045255191 563182555 /nfs/dbraw/zinc/18/25/55/563182555.db2.gz GLXWYQQJFYJTRN-UHFFFAOYSA-N 0 3 475.633 5.615 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccccc3)CC2)cc1 ZINC000045257937 563182863 /nfs/dbraw/zinc/18/28/63/563182863.db2.gz JTEFDNVSAKUQED-UHFFFAOYSA-N 0 3 485.672 6.022 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3F)CC2)cc1 ZINC000045298603 563185178 /nfs/dbraw/zinc/18/51/78/563185178.db2.gz FNPRFEGADGIAKY-UHFFFAOYSA-N 0 3 489.635 5.859 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(CO)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045299040 563185309 /nfs/dbraw/zinc/18/53/09/563185309.db2.gz RQYQDVZKXQROMJ-UHFFFAOYSA-N 0 3 471.645 5.464 1 0 JKAFHN CC(C)(C)c1ccc(NC(=O)c2ccc(CN3CCCN(Cc4cccc(Cl)c4)CC3)cc2)cc1 ZINC000045301817 563185937 /nfs/dbraw/zinc/18/59/37/563185937.db2.gz ICELXEZMPIISFL-UHFFFAOYSA-N 0 3 490.091 6.598 1 0 JKAFHN CS(=O)(=O)c1ccc(CNCc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)cc1 ZINC000045302207 563186157 /nfs/dbraw/zinc/18/61/57/563186157.db2.gz ZTXBRPWVCOWEIJ-UHFFFAOYSA-N 0 3 485.584 5.729 1 0 JKAFHN CN1CCN(Cc2ccc(-c3ccc4c(c3)nccc4Nc3ccc(F)cc3Cl)o2)CC1 ZINC000045302365 563186317 /nfs/dbraw/zinc/18/63/17/563186317.db2.gz GZRVJLVCMBJSHY-UHFFFAOYSA-N 0 3 450.945 5.778 1 0 JKAFHN O[C@@H](CNCc1cccc(Oc2ccc(Cl)cc2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000045302282 563186326 /nfs/dbraw/zinc/18/63/26/563186326.db2.gz SNGZVMSTJPPHOZ-NRFANRHFSA-N 0 3 489.843 6.993 1 0 JKAFHN O=C(Nc1ccc2c(c1)CCN2[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2F)C1)c1ccco1 ZINC000045302566 563186547 /nfs/dbraw/zinc/18/65/47/563186547.db2.gz YGDXKCQEVCIBDQ-HXUWFJFHSA-N 0 3 473.470 5.327 1 0 JKAFHN CC(C)(C)c1ccc(NC(=O)c2ccc(CN3CCCN(Cc4cccc(F)c4)CC3)cc2)cc1 ZINC000045303181 563187085 /nfs/dbraw/zinc/18/70/85/563187085.db2.gz XZAWFQTVLBWGEY-UHFFFAOYSA-N 0 3 473.636 6.083 1 0 JKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000045322682 563188577 /nfs/dbraw/zinc/18/85/77/563188577.db2.gz KTWQINRFKKSSQE-UHFFFAOYSA-N 0 3 450.995 5.111 1 0 JKAFHN O=C(c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1)N1CCCC[C@@H]1CN1CC[C@H](O)C1 ZINC000045324159 563189012 /nfs/dbraw/zinc/18/90/12/563189012.db2.gz ONABTWKVVABHNB-YADHBBJMSA-N 0 3 486.641 5.020 1 0 JKAFHN Cc1ccc2[nH]c(-c3ccc(C=CC(=O)NC4CCN(Cc5ccccc5)CC4)cc3)nc2c1C ZINC000045324268 563189142 /nfs/dbraw/zinc/18/91/42/563189142.db2.gz NMIAYXSLOXGMMN-RVDMUPIBSA-N 0 3 464.613 5.641 1 0 JKAFHN [O-]c1cc(Nc2ccnc3cc(-c4ccc(C[NH+]5CCCCC5)o4)c(Cl)cc32)c(Cl)cc1F ZINC000045324964 563189367 /nfs/dbraw/zinc/18/93/67/563189367.db2.gz KHSXKJBBSHWVGK-UHFFFAOYSA-N 0 3 486.374 7.376 1 0 JKAFHN COc1ccc(C(=O)[C@H]2C[C@H]2CN2CC=C(c3c[nH]c4cccc(Br)c43)CC2)cc1 ZINC000045334631 563189492 /nfs/dbraw/zinc/18/94/92/563189492.db2.gz KCWXRCHMZWEHEO-ICSRJNTNSA-N 0 3 465.391 5.547 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccccc3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045334538 563189506 /nfs/dbraw/zinc/18/95/06/563189506.db2.gz RPEFLFGKCQKQAD-UHFFFAOYSA-N 0 3 475.636 6.314 1 0 JKAFHN COc1ccc(C(=O)[C@@H]2C[C@H]2CN2CC=C(c3c[nH]c4cccc(Br)c43)CC2)cc1 ZINC000045334629 563189521 /nfs/dbraw/zinc/18/95/21/563189521.db2.gz KCWXRCHMZWEHEO-AZUAARDMSA-N 0 3 465.391 5.547 1 0 JKAFHN C[C@@H]1C[C@@H](NCCCNc2cc(=O)c3ccccc3[nH]2)c2c1c(Cl)cc(Cl)c2Cl ZINC000045335325 563190012 /nfs/dbraw/zinc/19/00/12/563190012.db2.gz CTPVOQBGROMYPN-SJKOYZFVSA-N 0 3 450.797 6.128 1 0 JKAFHN C[C@@H]1C[C@H](NCCCNc2cc(=O)c3ccccc3[nH]2)c2c1c(Cl)cc(Cl)c2Cl ZINC000045335319 563190023 /nfs/dbraw/zinc/19/00/23/563190023.db2.gz CTPVOQBGROMYPN-PXAZEXFGSA-N 0 3 450.797 6.128 1 0 JKAFHN CC(C)NC(=O)c1cccc(-c2ccc(OCCN3CCC[C@@H]3c3cc4ccccc4[nH]3)cc2)c1 ZINC000045337822 563190593 /nfs/dbraw/zinc/19/05/93/563190593.db2.gz KNGDNXOHLSHWKG-GDLZYMKVSA-N 0 3 467.613 6.189 1 0 JKAFHN O=C1c2cc([O-])ccc2-c2c1c1ccccc1nc2-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000045348891 563191501 /nfs/dbraw/zinc/19/15/01/563191501.db2.gz VUNDYYXUWRLPAQ-UHFFFAOYSA-N 0 3 450.538 5.684 1 0 JKAFHN Clc1ccc2cc(NCCNc3nc(NC4CCCCC4)nc(N4CCCCC4)n3)cnc2c1 ZINC000045350551 563191704 /nfs/dbraw/zinc/19/17/04/563191704.db2.gz DVQRZLGYDFUTOL-UHFFFAOYSA-N 0 3 481.048 5.332 1 0 JKAFHN CC(C)OC(=O)C1=CN(C(=O)c2cccc(CN3CCCC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045386813 563194543 /nfs/dbraw/zinc/19/45/43/563194543.db2.gz MPRWCNMYLYRYRB-UHFFFAOYSA-N 0 3 485.628 5.490 1 0 JKAFHN O=C(NC1CC1)c1ccc(F)c2c1C[C@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000045484547 563195400 /nfs/dbraw/zinc/19/54/00/563195400.db2.gz KFSYSSDWPKWGAJ-NRFANRHFSA-N 0 3 479.571 5.129 1 0 in-vitro JKAFHN c1ccc(-c2ccccc2OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000049017352 563197420 /nfs/dbraw/zinc/19/74/20/563197420.db2.gz QTXPSJZUMKDMGD-MHZLTWQESA-N 0 3 451.566 5.639 1 0 JKAFHN COc1ccc([C@]23C[C@H]2CN(CCCSc2nnc(-c4cccc5nc(C)ccc54)n2C)C3)cc1 ZINC000049031539 563197829 /nfs/dbraw/zinc/19/78/29/563197829.db2.gz NKIUMOVWDJZMRB-RBTNQOKQSA-N 0 3 485.657 5.103 1 0 JKAFHN c1ccc(C(CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1 ZINC000049032693 563198051 /nfs/dbraw/zinc/19/80/51/563198051.db2.gz MSMMXPDNAAWHBC-UHFFFAOYSA-N 0 3 474.692 7.396 1 0 JKAFHN c1ccc(NCCCCCCCCCCCCNc2c3ccccc3nc3c2CCCC3)cc1 ZINC000049036219 563198902 /nfs/dbraw/zinc/19/89/02/563198902.db2.gz RSFASIHHCGSKEP-UHFFFAOYSA-N 0 3 457.706 8.539 1 0 JKAFHN [O-]c1ccc2c(c1)OCCC1=C2[C@@H](c2ccc(OCC[NH+]3CCCCCC3)cc2)Oc2ccccc21 ZINC000049037630 563199263 /nfs/dbraw/zinc/19/92/63/563199263.db2.gz XGBCSOIWOMCTLG-WJOKGBTCSA-N 0 3 483.608 6.474 1 0 JKAFHN CC[NH+](CC)CCOc1ccc([C@H]2Oc3ccccc3C3=C2c2ccc([O-])cc2OCC3)cc1 ZINC000049047991 563199583 /nfs/dbraw/zinc/19/95/83/563199583.db2.gz KOJRQQVBJKHPBA-GDLZYMKVSA-N 0 3 457.570 5.940 1 0 JKAFHN Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2CCOc2ccccc21 ZINC000049048438 563199614 /nfs/dbraw/zinc/19/96/14/563199614.db2.gz IRZRURKICLRQNH-SSEXGKCCSA-N 0 3 469.581 6.084 1 0 JKAFHN Oc1ccc2c(c1)OCCC1=C2[C@@H](c2ccc(OCCN3CCCCC3)cc2)Oc2ccccc21 ZINC000049049452 563199768 /nfs/dbraw/zinc/19/97/68/563199768.db2.gz UHHJAEWQYDXZDY-SSEXGKCCSA-N 0 3 469.581 6.084 1 0 JKAFHN CCCN(Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000049050210 563199902 /nfs/dbraw/zinc/19/99/02/563199902.db2.gz TVRZRERPNYESQK-UHFFFAOYSA-N 0 3 452.952 6.344 1 0 JKAFHN c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)cc1 ZINC000049087839 563201613 /nfs/dbraw/zinc/20/16/13/563201613.db2.gz MOIAEONNKTVXJK-SSEXGKCCSA-N 0 3 487.651 6.328 1 0 JKAFHN c1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)cc1 ZINC000049087841 563201621 /nfs/dbraw/zinc/20/16/21/563201621.db2.gz MOIAEONNKTVXJK-PMERELPUSA-N 0 3 487.651 6.328 1 0 JKAFHN CCCCc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(CC(C)(C)[NH3+])cc3)cc2)cc1 ZINC000049089741 563201989 /nfs/dbraw/zinc/20/19/89/563201989.db2.gz TYKABRYDMFEULN-UHFFFAOYSA-N 0 3 494.661 5.754 1 0 JKAFHN COc1ccc2c(c1)O[C@@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000049089667 563202031 /nfs/dbraw/zinc/20/20/31/563202031.db2.gz MEGWHNJGIHFDSO-HKBQPEDESA-N 0 3 499.607 6.093 1 0 JKAFHN Cc1c2c(C=Cc3cccc(CN4CCN(C)CC4)c3)n[nH]c2ccc1NC(=O)Cc1cccs1 ZINC000049115711 563202876 /nfs/dbraw/zinc/20/28/76/563202876.db2.gz SCANZEHBHPIJEQ-CMDGGOBGSA-N 0 3 485.657 5.032 1 0 JKAFHN CCCc1nc(-c2ccccc2)c(CNCCCN2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000053230517 563205308 /nfs/dbraw/zinc/20/53/08/563205308.db2.gz DLCXKRUOCYZVCV-UHFFFAOYSA-N 0 3 453.030 5.249 1 0 JKAFHN Cc1nc(-c2ccccc2)c(CNCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000053276681 563205540 /nfs/dbraw/zinc/20/55/40/563205540.db2.gz FKGRBKWRGKTKBI-UHFFFAOYSA-N 0 3 466.629 5.147 1 0 JKAFHN CCCc1nc(-c2ccccc2)c(CNCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000053293986 563205581 /nfs/dbraw/zinc/20/55/81/563205581.db2.gz URXQLFJLHJOMLX-UHFFFAOYSA-N 0 3 486.582 5.615 1 0 JKAFHN CCCc1nc(-c2ccccc2)c(CNCCCN2CCN(c3ccccc3Cl)CC2)o1 ZINC000053294987 563205627 /nfs/dbraw/zinc/20/56/27/563205627.db2.gz POGJNLHIXCWOHV-UHFFFAOYSA-N 0 3 453.030 5.249 1 0 JKAFHN CN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccc(C(F)(F)F)cc5)cc43)cc2)CC1 ZINC000058538203 563207009 /nfs/dbraw/zinc/20/70/09/563207009.db2.gz PWLARPCPJDTUFU-UHFFFAOYSA-N 0 3 462.519 6.416 1 0 JKAFHN O=C(Cc1ccccc1Cl)Nc1cc(Br)ccc1OCCN1CCCCC1 ZINC000058538312 563207036 /nfs/dbraw/zinc/20/70/36/563207036.db2.gz JEGNCLQOHOHRIQ-UHFFFAOYSA-N 0 3 451.792 5.148 1 0 JKAFHN Cc1cccnc1[C@@H](NC(=O)C1CCN(Cc2cn(C)c3ccccc23)CC1)c1ccc(Cl)cc1 ZINC000061895650 563209699 /nfs/dbraw/zinc/20/96/99/563209699.db2.gz ULEPKGBDHCZVFU-NDEPHWFRSA-N 0 3 487.047 5.653 3 0 JKAFHN N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cc(NCc3ccco3)ncn2)n1 ZINC000061905832 563210390 /nfs/dbraw/zinc/21/03/90/563210390.db2.gz LVTZYTQNPZWWBO-MRXNPFEDSA-N 0 3 460.485 5.143 3 0 JKAFHN CCCCNC(=O)[C@]1(C)CCCCCN1Cc1cccc2c(OC)cc(C(=O)OCC)cc12 ZINC000061906567 563210484 /nfs/dbraw/zinc/21/04/84/563210484.db2.gz NXGRKAXQHFEYFD-MHZLTWQESA-N 0 3 454.611 5.076 3 0 JKAFHN COc1ccc([C@@H](NC(=O)C2CCN(CCCOc3ccccc3)CC2)c2cccs2)cc1 ZINC000061907683 563210668 /nfs/dbraw/zinc/21/06/68/563210668.db2.gz SNIZFKVQHGBJTM-AREMUKBSSA-N 0 3 464.631 5.143 3 0 JKAFHN COc1ccc([C@H](NC(=O)C2CCN(CCCOc3ccccc3)CC2)c2cccs2)cc1 ZINC000061907682 563210673 /nfs/dbraw/zinc/21/06/73/563210673.db2.gz SNIZFKVQHGBJTM-SANMLTNESA-N 0 3 464.631 5.143 3 0 JKAFHN Cc1ccccc1[C@H](NC(=O)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccsc1 ZINC000061908029 563210700 /nfs/dbraw/zinc/21/07/00/563210700.db2.gz KVMXCFHMVFEEJZ-SSEXGKCCSA-N 0 3 496.676 6.967 3 0 JKAFHN O=C(c1c2ccc(O)cc2sc1-c1cccs1)c1ccc(OCCN2CCCCC2)cc1 ZINC000001486718 562920218 /nfs/dbraw/zinc/92/02/18/562920218.db2.gz LGUWUYHZZBYXCZ-UHFFFAOYSA-N 0 3 463.624 6.431 1 0 JKAFHN COc1ccc2c(c1)oc(=O)c(Oc1ccc(Cl)cc1)c2-c1ccc(OCCN(C)C)cc1 ZINC000001861387 562923744 /nfs/dbraw/zinc/92/37/44/562923744.db2.gz BONRLZCXTLXLKF-UHFFFAOYSA-N 0 3 465.933 5.855 1 0 JKAFHN C[C@@H]1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2csc3cc(F)ccc32)CC1 ZINC000001893705 562924018 /nfs/dbraw/zinc/92/40/18/562924018.db2.gz SYTKLFTVOOOLQR-SFHVURJKSA-N 0 3 461.672 5.177 1 0 JKAFHN Cc1c(COc2ccc(F)c(F)c2F)oc2cccc(OCCCNCc3cccnc3)c12 ZINC000001909570 562924179 /nfs/dbraw/zinc/92/41/79/562924179.db2.gz FKIAZUIISXQFHC-UHFFFAOYSA-N 0 3 456.464 5.691 1 0 in-vitro JKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC1)=CC2 ZINC000003817396 562929072 /nfs/dbraw/zinc/92/90/72/562929072.db2.gz YBMDKMCHOKBOLB-YWZLYKJASA-N 0 3 489.504 6.303 1 0 JKAFHN C[C@H](N)C(=O)N1CCCC[C@H]1P(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000003823280 562929292 /nfs/dbraw/zinc/92/92/92/562929292.db2.gz KYNAMWRMUBCFRC-IFXJQAMLSA-N 0 3 457.294 5.330 1 0 JKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2)CC1)c1cccs1)S(=O)(=O)c1ccccc1 ZINC000003916955 562929820 /nfs/dbraw/zinc/92/98/20/562929820.db2.gz BWMWEXXFAXIRIO-XMMPIXPASA-N 0 3 468.688 5.422 1 0 JKAFHN Brc1cc(Br)c2c(c1)[C@H](NCCCNc1nc3ccccc3[nH]1)CCN2 ZINC000003927457 562930041 /nfs/dbraw/zinc/93/00/41/562930041.db2.gz AMXNANPJXQHROJ-OAHLLOKOSA-N 0 3 479.220 5.036 1 0 JKAFHN C[C@@H]1c2c(F)c(O)ccc2O[C@@H](c2ccc(OCCN3CCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000003948747 562930634 /nfs/dbraw/zinc/93/06/34/562930634.db2.gz KOYRLVBQHJNLQX-IFVHXUSFSA-N 0 3 477.576 6.123 1 0 in-vitro JKAFHN COc1ccc(N2Cc3c(c4ccc(Cl)cc4n3C)C2=O)cc1OCCN1CCC(C)CC1 ZINC000003987597 562931625 /nfs/dbraw/zinc/93/16/25/562931625.db2.gz WDLIINQFJCWSHG-UHFFFAOYSA-N 0 3 467.997 5.111 1 0 JKAFHN C[C@@H]1CN(c2ccc3occ(C(=O)Nc4ccc(-c5ccncc5)c(Cl)c4)c3c2)C[C@H](C)N1C ZINC000003988233 562931657 /nfs/dbraw/zinc/93/16/57/562931657.db2.gz ASTBAAJNISQQSR-HDICACEKSA-N 0 3 474.992 5.929 1 0 JKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)N1c2ccc(O)cc2CC[C@@H]1c1ccc(O)cc1 ZINC000003990400 562931680 /nfs/dbraw/zinc/93/16/80/562931680.db2.gz KUBYSGIGKNDGJE-HHHXNRCGSA-N 0 3 472.585 5.297 1 0 JKAFHN c1cc(-c2ccc(C3=N[C@@H]4CCCC[C@@H]4N3)cc2)oc1-c1ccc(C2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000006040283 562936549 /nfs/dbraw/zinc/93/65/49/562936549.db2.gz ZGJGWFQQOVEGLB-POYMRFPPSA-N 0 3 464.613 5.936 1 0 JKAFHN CN1[C@@H]2CC[C@H]1[C@H](C(=O)OCc1ccccc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000013440896 562963130 /nfs/dbraw/zinc/96/31/30/562963130.db2.gz DCRIIMMZVJPZAH-WKAQUBQDSA-N 0 3 477.551 5.666 1 0 JKAFHN Cc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000013448542 562964457 /nfs/dbraw/zinc/96/44/57/562964457.db2.gz NUEVBZLYKCHOPY-UHFFFAOYSA-N 0 3 499.630 5.438 1 0 JKAFHN Cc1ccccc1CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O ZINC000013448539 562964474 /nfs/dbraw/zinc/96/44/74/562964474.db2.gz MRXPMPSDRAGQAV-UHFFFAOYSA-N 0 3 499.630 5.438 1 0 JKAFHN CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1 ZINC000013451425 562964763 /nfs/dbraw/zinc/96/47/63/562964763.db2.gz OJPHYJUOPGCSOT-UHFFFAOYSA-N 0 3 484.706 6.567 1 0 JKAFHN CN(C)Cc1ccc(CSCCCCCCCCCSCc2ccc(CN(C)C)o2)o1 ZINC000013452590 562964850 /nfs/dbraw/zinc/96/48/50/562964850.db2.gz MYTVLVZQXNODTK-UHFFFAOYSA-N 0 3 466.757 6.893 1 0 JKAFHN O=C(Nc1cc(F)ccc1F)Nc1ccccc1[C@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000013475759 562967040 /nfs/dbraw/zinc/96/70/40/562967040.db2.gz XINIMAZPUMKJHH-AREMUKBSSA-N 0 3 465.544 5.597 1 0 JKAFHN CC(=O)c1cccc(NC(=O)Nc2ccccc2CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475799 562967075 /nfs/dbraw/zinc/96/70/75/562967075.db2.gz GFGVSPYXQBYZOT-UHFFFAOYSA-N 0 3 459.565 6.127 1 0 JKAFHN COc1cccc(NC(=O)Nc2ccccc2[C@H](O)CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475804 562967080 /nfs/dbraw/zinc/96/70/80/562967080.db2.gz MTVAGODSWYYKMQ-HHHXNRCGSA-N 0 3 477.580 5.466 1 0 JKAFHN CCOc1c(Br)cc(SC)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487775 562967903 /nfs/dbraw/zinc/96/79/03/562967903.db2.gz GGGQCNIYJNPTAL-UHFFFAOYSA-N 0 3 476.440 5.415 1 0 JKAFHN COc1ccc2c(C)c(C3CCN(C[C@H](O)COc4cccc5[nH]ccc54)CC3)sc2c1 ZINC000013490088 562969145 /nfs/dbraw/zinc/96/91/45/562969145.db2.gz ISNFWPAGLJOWPI-IBGZPJMESA-N 0 3 450.604 5.319 1 0 JKAFHN COc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013494206 562970462 /nfs/dbraw/zinc/97/04/62/562970462.db2.gz HUVYJGQARDGDMN-UHFFFAOYSA-N 0 3 451.557 6.382 1 0 JKAFHN Fc1ccc(C(OCCC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000013494211 562970479 /nfs/dbraw/zinc/97/04/79/562970479.db2.gz QJEBAPXHCKKADR-UHFFFAOYSA-N 0 3 489.528 7.392 1 0 JKAFHN C[C@@]1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(O)c1 ZINC000013523361 562971112 /nfs/dbraw/zinc/97/11/12/562971112.db2.gz UWLIBOKLGCNWFW-GDLZYMKVSA-N 0 3 458.602 5.289 1 0 JKAFHN CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(C/C=C/c1ccccc1)Cc1c2ccccc2[nH]c1[C@]3(C)O5 ZINC000013524137 562971266 /nfs/dbraw/zinc/97/12/66/562971266.db2.gz VHAISVIZOZORLQ-LCJKOIOYSA-N 0 3 488.631 6.325 1 0 JKAFHN Oc1ccc2c(c1)CC[C@]21C=C(c2ccc(OCCN3CCCCC3)cc2)c2cc(O)ccc21 ZINC000013526695 562971497 /nfs/dbraw/zinc/97/14/97/562971497.db2.gz MHJYBRXRPIGQJQ-PMERELPUSA-N 0 3 453.582 5.640 1 0 JKAFHN COc1cc2c(cc1OC)CN(CC[C@@H](Oc1ccccc1C(F)(F)F)c1ccccc1)CC2 ZINC000013530640 562972204 /nfs/dbraw/zinc/97/22/04/562972204.db2.gz PHROZENPFSAKEV-HSZRJFAPSA-N 0 3 471.519 6.291 1 0 JKAFHN C[C@H]1C[C@H](c2cc3c(cccc3Cl)s2)CCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535701 562972705 /nfs/dbraw/zinc/97/27/05/562972705.db2.gz KHDWPPOQGTVCHK-KSZLIROESA-N 0 3 455.023 6.044 1 0 JKAFHN CNCc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)nc(C)n1 ZINC000013536656 562972758 /nfs/dbraw/zinc/97/27/58/562972758.db2.gz XSIHGLBVVSVKBH-UHFFFAOYSA-N 0 3 452.971 5.072 1 0 JKAFHN Cc1ncnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560305 562975246 /nfs/dbraw/zinc/97/52/46/562975246.db2.gz QQVCTYISHLKPPR-UHFFFAOYSA-N 0 3 469.633 5.001 1 0 JKAFHN Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3CCOCc2cccs2)c2ccc(F)cc2)cc1 ZINC000013580493 562975638 /nfs/dbraw/zinc/97/56/38/562975638.db2.gz FUXJAOQVDVQZMM-XMGLRAKGSA-N 0 3 469.597 6.345 1 0 JKAFHN Cc1cc(OCCN2CCCCC2)ccc1C1=C[C@@]2(CCc3cc(O)ccc32)c2ccc(O)cc21 ZINC000013587748 562977321 /nfs/dbraw/zinc/97/73/21/562977321.db2.gz BGQDIXOPAMBHRI-WJOKGBTCSA-N 0 3 467.609 5.949 1 0 JKAFHN Cc1cc(C2=C[C@]3(CCc4cc(O)ccc43)c3ccc(O)cc32)ccc1OCCN1CCCCC1 ZINC000013587747 562977347 /nfs/dbraw/zinc/97/73/47/562977347.db2.gz AEGJDPQYCCTKOJ-HKBQPEDESA-N 0 3 467.609 5.949 1 0 JKAFHN [O-]c1cc(Cl)c([C@@H]2N=CN[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2Cl)c(Cl)c1 ZINC000013607940 562979048 /nfs/dbraw/zinc/97/90/48/562979048.db2.gz IOMUFHNCTKDSQD-YADHBBJMSA-N 0 3 468.812 5.631 1 0 JKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(F)c(OCCc2ccc(Cl)cc2)c1 ZINC000013643337 562980351 /nfs/dbraw/zinc/98/03/51/562980351.db2.gz SPSKAYMQPXKPMJ-UHFFFAOYSA-N 0 3 467.972 5.142 1 0 JKAFHN Cc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2Cl)cc1 ZINC000013643344 562980374 /nfs/dbraw/zinc/98/03/74/562980374.db2.gz MYMXDIMTTAYBBP-UHFFFAOYSA-N 0 3 464.009 5.311 1 0 JKAFHN O=C(CCCCCCNc1c2ccccc2nc2c1CCCC2)NCCc1c[nH]c2ccccc12 ZINC000013679406 562984003 /nfs/dbraw/zinc/98/40/03/562984003.db2.gz XHISNFCRWZVULB-UHFFFAOYSA-N 0 3 468.645 6.316 1 0 JKAFHN CC(C)N1CCN(CCN2CCC(c3cn(-c4ccccc4F)c4cc(Cl)ccc34)CC2)C1=O ZINC000013731199 562985210 /nfs/dbraw/zinc/98/52/10/562985210.db2.gz PHKYJSDVXODLTC-UHFFFAOYSA-N 0 3 483.031 5.748 1 0 JKAFHN COc1ccc(CN[C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)Cc2ccccc2)cc1 ZINC000013737306 562986092 /nfs/dbraw/zinc/98/60/92/562986092.db2.gz XUBAXMPEYOGPIH-VWLOTQADSA-N 0 3 473.661 6.465 1 0 JKAFHN COc1ccc(CN[C@@H](CCSC)CNC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000013737302 562986095 /nfs/dbraw/zinc/98/60/95/562986095.db2.gz OYXPEMWTOBDRGC-NRFANRHFSA-N 0 3 457.684 5.975 1 0 JKAFHN O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1)CCC2 ZINC000013737855 562986318 /nfs/dbraw/zinc/98/63/18/562986318.db2.gz KWRMPTCABKBHFI-UHFFFAOYSA-N 0 3 452.642 6.515 1 0 JKAFHN Cc1ccnc(N2CCN(CCc3c4cccc5c4n(c3-c3ccc(F)cc3)CCC5)CC2)c1 ZINC000013740415 562986784 /nfs/dbraw/zinc/98/67/84/562986784.db2.gz USKXYHKXCCIZPH-UHFFFAOYSA-N 0 3 454.593 5.462 1 0 JKAFHN O=C1OC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013740646 562986822 /nfs/dbraw/zinc/98/68/22/562986822.db2.gz JPUMLQVRNXWYSA-KRWDZBQOSA-N 0 3 456.342 5.296 1 0 JKAFHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c2ccccc21 ZINC000013758033 562988913 /nfs/dbraw/zinc/98/89/13/562988913.db2.gz DTXYGININMLAPB-HSZRJFAPSA-N 0 3 482.411 6.289 1 0 JKAFHN COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1NCCN(C)C ZINC000013779292 562991396 /nfs/dbraw/zinc/99/13/96/562991396.db2.gz BAQFINVRIZNAMC-UHFFFAOYSA-N 0 3 485.588 5.255 1 0 JKAFHN CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)=C2CCN(Cc3ccccc3)CC2)cc1 ZINC000013803500 562994765 /nfs/dbraw/zinc/99/47/65/562994765.db2.gz YRXLGWHAAWAHAL-UHFFFAOYSA-N 0 3 468.641 6.275 1 0 JKAFHN Clc1ccc([C@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000013812970 562995832 /nfs/dbraw/zinc/99/58/32/562995832.db2.gz IJZPIUWYDJXKGL-AQIUQABFSA-N 0 3 478.039 6.819 3 0 JKAFHN O=C(c1oc2cc(O)ccc2c1-c1cccc2ccccc21)c1ccc(OCCN2CCCCC2)cc1 ZINC000013818657 562997021 /nfs/dbraw/zinc/99/70/21/562997021.db2.gz ICNFVDUPXFAYEH-UHFFFAOYSA-N 0 3 491.587 7.054 1 0 JKAFHN O=C(CCCN1CCN(c2ccc(F)cc2)CC1)N[C@@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820115 562997366 /nfs/dbraw/zinc/99/73/66/562997366.db2.gz BHRXKDVRJKFVJL-YBZFOXLFSA-N 0 3 481.681 5.498 1 0 JKAFHN O=C(CCCN1CCN(c2ccccc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000013820507 562997369 /nfs/dbraw/zinc/99/73/69/562997369.db2.gz OUBBPFMHCCWLFX-MUUNZHRXSA-N 0 3 457.643 5.100 1 0 JKAFHN O=C(CCCN1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2Sc2ccccc21 ZINC000013820500 562997396 /nfs/dbraw/zinc/99/73/96/562997396.db2.gz MMIJPDIINZPYQE-UHFFFAOYSA-N 0 3 461.606 5.098 1 0 JKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC([C@@H](c2ccc(F)cc2)C2CCCCC2)CC1 ZINC000013824912 562998235 /nfs/dbraw/zinc/99/82/35/562998235.db2.gz VRQQRENDQSWBNX-SSEXGKCCSA-N 0 3 481.652 6.882 1 0 JKAFHN CC(C)CN1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000013830033 562999199 /nfs/dbraw/zinc/99/91/99/562999199.db2.gz IEABHKNILNTSFJ-QFIPXVFZSA-N 0 3 461.469 5.473 1 0 JKAFHN CC(=O)c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834326 563000990 /nfs/dbraw/zinc/00/09/90/563000990.db2.gz MLIYXODZYMNUGH-UHFFFAOYSA-N 0 3 499.632 6.572 1 0 JKAFHN Cc1ccccc1-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834304 563000999 /nfs/dbraw/zinc/00/09/99/563000999.db2.gz GTPUHNJIMQQEMY-UHFFFAOYSA-N 0 3 471.622 6.678 1 0 JKAFHN Brc1cc(Br)c2c(c1)[C@@H](NCCCNc1nc3ccccc3[nH]1)CCN2 ZINC000013918062 563004716 /nfs/dbraw/zinc/00/47/16/563004716.db2.gz AMXNANPJXQHROJ-HNNXBMFYSA-N 0 3 479.220 5.036 1 0 JKAFHN O=C([O-])[C@@H](c1ccccc1)N1CCC[C@@H](C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000013974807 563004779 /nfs/dbraw/zinc/00/47/79/563004779.db2.gz FLDDBSYUKQDTDX-MHECFPHRSA-N 0 3 477.432 5.375 1 0 JKAFHN Oc1ccc2c(ccc3c2[C@@H](c2ccc(OCCN4CCCCC4)cc2)c2ccc(O)cc2C3)c1 ZINC000013976024 563004966 /nfs/dbraw/zinc/00/49/66/563004966.db2.gz FYEARXADVSSUQS-PMERELPUSA-N 0 3 465.593 6.200 1 0 JKAFHN CN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c32)CC1 ZINC000013984292 563005406 /nfs/dbraw/zinc/00/54/06/563005406.db2.gz MKNGJNHUZSCTJU-UHFFFAOYSA-N 0 3 475.980 5.474 1 0 JKAFHN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN)c1Cl ZINC000014963018 563008565 /nfs/dbraw/zinc/00/85/65/563008565.db2.gz ZQELKYLGCFHINW-UHFFFAOYSA-N 0 3 485.780 5.075 1 0 JKAFHN CCCCc1ccccc1N1CCN(CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000014975967 563010226 /nfs/dbraw/zinc/01/02/26/563010226.db2.gz GLAJHBSVLZCXST-MUUNZHRXSA-N 0 3 461.694 5.905 1 0 JKAFHN CCCCc1ccccc1N1CCN(CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000014975970 563010299 /nfs/dbraw/zinc/01/02/99/563010299.db2.gz GLAJHBSVLZCXST-NDEPHWFRSA-N 0 3 461.694 5.905 1 0 JKAFHN CCc1ccc([N-]c2n[n+](-c3ccccc3)c(-c3cc(OC)c(OC)cc3Br)s2)cc1 ZINC000015936901 563012308 /nfs/dbraw/zinc/01/23/08/563012308.db2.gz FESGUUJJUOOBKH-UHFFFAOYSA-N 0 3 497.438 6.173 3 0 JKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000016080001 563013066 /nfs/dbraw/zinc/01/30/66/563013066.db2.gz RPUTVAIXMBFZLI-NTCAYCPXSA-N 0 3 479.624 5.307 1 0 JKAFHN COc1ccc([C@@H]2C=CCN(CC3CC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018100541 563014477 /nfs/dbraw/zinc/01/44/77/563014477.db2.gz LOXGLFHDUZOSOG-KYJUHHDHSA-N 0 3 484.615 5.797 1 0 JKAFHN O=C(NCCCN(Cc1ccco1)C1CCCC1)c1cc2c(s1)-c1ccccc1SC2 ZINC000020329399 563015977 /nfs/dbraw/zinc/01/59/77/563015977.db2.gz QQQNLTRJFIEVRX-UHFFFAOYSA-N 0 3 452.645 6.179 1 0 JKAFHN Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O ZINC000022924645 563017511 /nfs/dbraw/zinc/01/75/11/563017511.db2.gz HXCDEZDRGXIHKK-UHFFFAOYSA-N 0 3 464.462 5.047 1 0 JKAFHN C(=C/c1ccccc1)\c1cc(CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)on1 ZINC000022924692 563017514 /nfs/dbraw/zinc/01/75/14/563017514.db2.gz XKJWPBFAOCBQQJ-FMQUCBEESA-N 0 3 477.652 6.575 1 0 JKAFHN COc1cc2c(cc1OC)CN([C@H]1CCCN(CCCOc3ccc4ccccc4c3)C1)CC2 ZINC000022930515 563018289 /nfs/dbraw/zinc/01/82/89/563018289.db2.gz BFMCYLRJNAXJFX-SANMLTNESA-N 0 3 460.618 5.149 1 0 JKAFHN COc1cc2c(cc1OC)CN([C@H]1CCCN(CCCOc3ccc4c(c3)-c3ccccc3C4)C1)CC2 ZINC000022930520 563018348 /nfs/dbraw/zinc/01/83/48/563018348.db2.gz JBEWIPMACLNNPY-MHZLTWQESA-N 0 3 498.667 5.567 1 0 JKAFHN C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1CCCc1ccccc1 ZINC000022938512 563019238 /nfs/dbraw/zinc/01/92/38/563019238.db2.gz CNCNZYATGYMZNQ-RPWUZVMVSA-N 0 3 478.627 6.098 1 0 JKAFHN O=C(CCCN1CCN(CCCc2ccccc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000022940085 563019514 /nfs/dbraw/zinc/01/95/14/563019514.db2.gz UFHFNDHFTRUFFK-HKBQPEDESA-N 0 3 499.724 5.529 1 0 JKAFHN O=C(CCCN1CCN(C/C=C/c2ccccc2)CC1)NC1c2ccccc2C=Cc2ccccc21 ZINC000022940109 563019617 /nfs/dbraw/zinc/01/96/17/563019617.db2.gz CEAYSGGPEDTANY-XYOKQWHBSA-N 0 3 477.652 5.487 1 0 JKAFHN Cc1ccc(NC[C@@H](O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022941082 563019809 /nfs/dbraw/zinc/01/98/09/563019809.db2.gz FYRISFFOTULNGI-GDLZYMKVSA-N 0 3 493.642 5.276 1 0 JKAFHN CC(C)[C@H](C)NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CCN(C(C)C)CC1 ZINC000022941806 563019830 /nfs/dbraw/zinc/01/98/30/563019830.db2.gz LQFYHISCELYWDN-QFIPXVFZSA-N 0 3 458.650 5.202 1 0 JKAFHN N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000022941581 563019832 /nfs/dbraw/zinc/01/98/32/563019832.db2.gz MZJLFDPTAQVJLX-FCHUYYIVSA-N 0 3 498.898 7.241 1 0 JKAFHN CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000022941801 563019842 /nfs/dbraw/zinc/01/98/42/563019842.db2.gz AXFMOMFMMVHXGZ-DEOSSOPVSA-N 0 3 498.715 6.126 1 0 JKAFHN C[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023360829 563020067 /nfs/dbraw/zinc/02/00/67/563020067.db2.gz QUOVWZCNMCSUEF-HSZRJFAPSA-N 0 3 464.600 5.567 1 0 JKAFHN C[C@@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000026146477 563022353 /nfs/dbraw/zinc/02/23/53/563022353.db2.gz VWYDECMNCXHJOZ-YKSBVNFPSA-N 0 3 479.045 5.734 1 0 JKAFHN COc1ccc(S(=O)(=O)N[C@@H](CN[C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026152547 563022438 /nfs/dbraw/zinc/02/24/38/563022438.db2.gz KQDXAFJALGMWOX-XUZZJYLKSA-N 0 3 474.626 5.089 1 0 JKAFHN Cc1cc(OCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026467069 563027827 /nfs/dbraw/zinc/02/78/27/563027827.db2.gz BROPUBQWSIYKTI-UHFFFAOYSA-N 0 3 458.646 5.884 1 0 JKAFHN Cc1ccsc1[C@H](c1ccccc1C)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026567116 563029696 /nfs/dbraw/zinc/02/96/96/563029696.db2.gz WZOPZZHCALZOMQ-VWLOTQADSA-N 0 3 480.641 5.405 1 0 JKAFHN CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2c(=O)oc3ccccc32)CC1 ZINC000026567734 563029726 /nfs/dbraw/zinc/02/97/26/563029726.db2.gz ALWVBPDYDGBARS-UHFFFAOYSA-N 0 3 487.575 5.168 1 0 JKAFHN Oc1ccc2c(c1)S[C@H](C1CCCCC1)[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026568818 563029844 /nfs/dbraw/zinc/02/98/44/563029844.db2.gz YDDKFGNAKZTILR-RRPNLBNLSA-N 0 3 453.648 6.432 1 0 JKAFHN CN1CCC(CC(=O)N2CCC(=C3c4ccc(Cl)cc4SCc4cccnc43)CC2)CC1 ZINC000026569055 563029949 /nfs/dbraw/zinc/02/99/49/563029949.db2.gz UNQXNXZNETUFGG-UHFFFAOYSA-N 0 3 468.066 5.497 1 0 JKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000026580020 563031395 /nfs/dbraw/zinc/03/13/95/563031395.db2.gz SAAXXRQGKOSDGS-RUZDIDTESA-N 0 3 497.104 6.014 1 0 JKAFHN Cc1c(O)ccc2c1O[C@H](c1ccc(OCCN3CCCCC3)cc1)[C@H](c1ccc(O)cc1)S2 ZINC000026652927 563032191 /nfs/dbraw/zinc/03/21/91/563032191.db2.gz YZZPBYXZHVCXOL-IZLXSDGUSA-N 0 3 477.626 6.238 1 0 JKAFHN Oc1cccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCCCC3)cc2)c1 ZINC000026656570 563032394 /nfs/dbraw/zinc/03/23/94/563032394.db2.gz NAULYXADLNIEES-RRPNLBNLSA-N 0 3 463.599 5.930 1 0 JKAFHN Cc1cc(O)cc2c1S[C@@H](c1ccc(O)cc1)[C@@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026657086 563032476 /nfs/dbraw/zinc/03/24/76/563032476.db2.gz ATTRNIIVHKTCGI-IAPPQJPRSA-N 0 3 477.626 6.238 1 0 JKAFHN C[C@@H](NCc1nc2ccccc2[nH]1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026751861 563035244 /nfs/dbraw/zinc/03/52/44/563035244.db2.gz OSMUKSUFVCBALC-YMQLSWAVSA-N 0 3 477.737 6.697 1 0 JKAFHN CSc1sc(C(=N)N)cc1-c1nc(-c2cnn(-c3ccccc3)c2OCCC(C)C)cs1 ZINC000026826230 563035947 /nfs/dbraw/zinc/03/59/47/563035947.db2.gz XFZGXHVUFVVRJY-UHFFFAOYSA-N 0 3 483.688 6.155 1 0 JKAFHN C[C@H](C[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027106311 563040308 /nfs/dbraw/zinc/04/03/08/563040308.db2.gz YOYKYWQOJLXSNN-UFHPHHKVSA-N 0 3 461.671 6.292 1 0 JKAFHN Clc1ccc2c(c1)nccc2NCCN1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000027436890 563044314 /nfs/dbraw/zinc/04/43/14/563044314.db2.gz AXGJQYDQWXCHEV-UHFFFAOYSA-N 0 3 452.389 5.324 1 0 JKAFHN CCC(=O)OC1([C@H](C)C(=O)N(C)C2CCCCC2)CCN(CCc2ccccc2Cl)CC1 ZINC000027557662 563046543 /nfs/dbraw/zinc/04/65/43/563046543.db2.gz QMEQNFHRSZADSS-HXUWFJFHSA-N 0 3 463.062 5.098 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)C(c1ccc(OCCN3CCCC3)cc1)=C2c1ccccc1 ZINC000027653703 563048935 /nfs/dbraw/zinc/04/89/35/563048935.db2.gz RRIDDWVSCDRUIU-UHFFFAOYSA-N 0 3 455.598 6.300 1 0 JKAFHN CCC/C(=C\c1cccnc1)C(=O)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027654928 563049065 /nfs/dbraw/zinc/04/90/65/563049065.db2.gz UKLYDCPYKUQJGF-QCWLDUFUSA-N 0 3 496.699 5.569 1 0 JKAFHN CC(C)(C)c1cc(I)c2c(c1)CNC1(CCN(CCc3ccccc3)CC1)O2 ZINC000027656234 563049117 /nfs/dbraw/zinc/04/91/17/563049117.db2.gz NMVLHRKQJHAINM-UHFFFAOYSA-N 0 3 490.429 5.106 1 0 JKAFHN Cc1ccc(C(c2ccc(C)cc2)N2CCN(CCCCNC(=O)/C=C/c3cccnc3)CC2)cc1 ZINC000027656242 563049177 /nfs/dbraw/zinc/04/91/77/563049177.db2.gz NAHFWNALJGCZDB-LFIBNONCSA-N 0 3 482.672 5.015 1 0 JKAFHN Cc1ccc(/C=C/C=C/C(=O)NCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027707069 563049617 /nfs/dbraw/zinc/04/96/17/563049617.db2.gz YQFIFANMOCYFHY-MAJDQBKLSA-N 0 3 494.683 5.263 1 0 JKAFHN COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3ccc(Cl)cc3)CC1)OCC(C)(C)C2 ZINC000027735268 563050893 /nfs/dbraw/zinc/05/08/93/563050893.db2.gz GRALYAHEKUITCC-HSZRJFAPSA-N 0 3 459.030 5.210 1 0 JKAFHN CCCN(CCC)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028130102 563057226 /nfs/dbraw/zinc/05/72/26/563057226.db2.gz DFKHELJUOSZEEN-UHFFFAOYSA-N 0 3 460.780 7.488 1 0 JKAFHN Cn1c2ccccc2c2c1CC[C@H](CN1CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)C2=O ZINC000027740362 563050989 /nfs/dbraw/zinc/05/09/89/563050989.db2.gz GMBNAWIYSADMKL-XMMPIXPASA-N 0 3 496.601 6.800 1 0 JKAFHN CCOc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027763128 563051471 /nfs/dbraw/zinc/05/14/71/563051471.db2.gz GOBJMVVHNHSDQT-DHLKQENFSA-N 0 3 461.433 5.545 1 0 JKAFHN O=C1NCN(c2ccccc2)C12CCN(CCCN1c3ccccc3Sc3ccccc31)CC2 ZINC000027874993 563052481 /nfs/dbraw/zinc/05/24/81/563052481.db2.gz QERSUXOOSQLXJJ-UHFFFAOYSA-N 0 3 470.642 5.108 1 0 JKAFHN COc1cc2c(cc1OC)[C@](C)(CCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)OCC2 ZINC000027884212 563052727 /nfs/dbraw/zinc/05/27/27/563052727.db2.gz FULHNQTUWSRVAC-VWLOTQADSA-N 0 3 478.555 5.113 1 0 JKAFHN COc1cc2c(cc1OC)[C@H](CCN1CCN(c3cccc(C(F)(F)F)c3)CC1)OC(C)(C)C2 ZINC000027889282 563052903 /nfs/dbraw/zinc/05/29/03/563052903.db2.gz APHFRZCJEAXGLS-QFIPXVFZSA-N 0 3 478.555 5.327 1 0 JKAFHN CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)C(=O)C[C@@H]1SCCN(CC)CC ZINC000028014957 563055104 /nfs/dbraw/zinc/05/51/04/563055104.db2.gz VBIZLYIQRDKKMS-JEQZHXOFSA-N 0 3 481.743 5.422 1 0 JKAFHN COc1ccc(OCCCCN2CCC(C(=O)c3ccccc3)CC2)c([C@@H]2SCCN2C(C)=O)c1 ZINC000028018645 563055175 /nfs/dbraw/zinc/05/51/75/563055175.db2.gz DRQJGGLIVMKLDO-NDEPHWFRSA-N 0 3 496.673 5.043 1 0 JKAFHN O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCCC2)cc1 ZINC000028021234 563055351 /nfs/dbraw/zinc/05/53/51/563055351.db2.gz DZESXFZAOQEIBS-UHFFFAOYSA-N 0 3 469.372 5.489 1 0 JKAFHN CC(C)C(=O)OCC1(N(C(=O)C(C)C)c2ccccc2)CCN(CCc2cccs2)CC1 ZINC000028085979 563055419 /nfs/dbraw/zinc/05/54/19/563055419.db2.gz VRPQDRSWGVFSDR-UHFFFAOYSA-N 0 3 456.652 5.014 1 0 JKAFHN CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccc(C=O)c3)cc2)CC1 ZINC000028117055 563056714 /nfs/dbraw/zinc/05/67/14/563056714.db2.gz VLFGKNPSRVKEEZ-UHFFFAOYSA-N 0 3 496.438 6.258 1 0 JKAFHN CCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000028138132 563057722 /nfs/dbraw/zinc/05/77/22/563057722.db2.gz OJDZJIZHVCYWGT-UHFFFAOYSA-N 0 3 458.764 7.098 1 0 JKAFHN CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028237556 563058550 /nfs/dbraw/zinc/05/85/50/563058550.db2.gz YKWPIQGPHGTBPC-NTCAYCPXSA-N 0 3 451.614 5.390 1 0 JKAFHN CC(=O)N1CCc2ccc(N(C(=O)CCc3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028238292 563058566 /nfs/dbraw/zinc/05/85/66/563058566.db2.gz RVXRKPDRBFDVDH-UHFFFAOYSA-N 0 3 481.640 5.226 1 0 JKAFHN CC(=O)N1CCCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028241294 563058757 /nfs/dbraw/zinc/05/87/57/563058757.db2.gz ZFDSVYOQTBPJMI-SAPNQHFASA-N 0 3 493.651 5.697 1 0 JKAFHN O=C(NCc1ccc(-c2cccs2)s1)[C@H]1CCC[C@@H]1NCc1ccc(Br)cc1 ZINC000028341298 563060430 /nfs/dbraw/zinc/06/04/30/563060430.db2.gz LAWHNHMVZPTZJX-OALUTQOASA-N 0 3 475.477 5.814 1 0 JKAFHN C[C@H]1c2ccc(O)cc2O[C@@H](c2ccc(OCCN3CCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000028344825 563060611 /nfs/dbraw/zinc/06/06/11/563060611.db2.gz QZFNCDFOOSETTB-MXXBPKCLSA-N 0 3 459.586 5.984 1 0 JKAFHN CCN1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000028365757 563061949 /nfs/dbraw/zinc/06/19/49/563061949.db2.gz PDQMROYIXJRXGV-JOCHJYFZSA-N 0 3 488.588 5.346 1 0 JKAFHN Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC4(CCC4)C3)cc2)cc1 ZINC000028375935 563062711 /nfs/dbraw/zinc/06/27/11/563062711.db2.gz TZFOGJYLHDBPIJ-RRPNLBNLSA-N 0 3 475.610 5.930 1 0 JKAFHN CCN(Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028458215 563064316 /nfs/dbraw/zinc/06/43/16/563064316.db2.gz GOCFZRIQMFPFBH-UHFFFAOYSA-N 0 3 454.540 6.454 1 0 JKAFHN Cc1ccc(NC(=O)NC[C@H](c2ccc(-c3ccccc3)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028520975 563066357 /nfs/dbraw/zinc/06/63/57/563066357.db2.gz LPGUJYWWRBKIOS-WJOKGBTCSA-N 0 3 496.699 6.475 1 0 JKAFHN O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1ccccc1 ZINC000028522341 563066520 /nfs/dbraw/zinc/06/65/20/563066520.db2.gz AHHOJFQACICXEL-XMMPIXPASA-N 0 3 474.571 5.519 1 0 JKAFHN COc1ccc([C@@H](CNC(=O)Nc2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028522971 563066735 /nfs/dbraw/zinc/06/67/35/563066735.db2.gz IWHKDPIAKYWOCM-MUUNZHRXSA-N 0 3 492.708 5.806 1 0 JKAFHN O=C(NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(F)cc1 ZINC000028523627 563066847 /nfs/dbraw/zinc/06/68/47/563066847.db2.gz KUHRWURAPYZJGN-XMMPIXPASA-N 0 3 492.561 5.658 1 0 JKAFHN CC(C)C[C@H](CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000028523728 563067001 /nfs/dbraw/zinc/06/70/01/563067001.db2.gz HVOZQNDFLSATHB-JOCHJYFZSA-N 0 3 455.474 5.480 1 0 JKAFHN O=S(=O)(c1ccccc1Br)n1cc([C@@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000028525109 563067440 /nfs/dbraw/zinc/06/74/40/563067440.db2.gz AZXATNGYDIGGJK-HXUWFJFHSA-N 0 3 495.442 5.630 1 0 JKAFHN Cc1ccc(C(=O)Nc2ccccc2NC(=O)OCC2CCN(c3ccncc3)CC2)cc1Cl ZINC000028526273 563067840 /nfs/dbraw/zinc/06/78/40/563067840.db2.gz JYTYHAGUUXSUCI-UHFFFAOYSA-N 0 3 478.980 5.761 1 0 JKAFHN O=C(NC1CCN(Cc2ccc3ncccc3c2)CC1)c1cc(Cl)ccc1NCc1nccs1 ZINC000028527085 563068084 /nfs/dbraw/zinc/06/80/84/563068084.db2.gz HCDOUMOHZABKDC-UHFFFAOYSA-N 0 3 492.048 5.351 1 0 JKAFHN CCCCCc1ccc(C(=O)N(CCN2CCCCC2)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000028604452 563071636 /nfs/dbraw/zinc/07/16/36/563071636.db2.gz LRYJBOYQSSLBDH-UHFFFAOYSA-N 0 3 460.584 6.566 1 0 JKAFHN Cc1ccc(C2=CC[C@H](N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650254 563073726 /nfs/dbraw/zinc/07/37/26/563073726.db2.gz BWGKUHVGLLNUIX-FQEVSTJZSA-N 0 3 462.034 6.415 1 0 JKAFHN O=Cc1ccc(C2=CC[C@@H](N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)o1 ZINC000028650235 563073784 /nfs/dbraw/zinc/07/37/84/563073784.db2.gz YHIPIFFZCVVRPO-LJQANCHMSA-N 0 3 459.949 5.450 1 0 JKAFHN Nc1nc([C@@H](CCN2CCCCC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702699 563074666 /nfs/dbraw/zinc/07/46/66/563074666.db2.gz XFVWAKPKFXKTQB-MRXNPFEDSA-N 0 3 494.505 5.039 1 0 JKAFHN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(OC[C@@H](C)N4CCN(C)CC4)c3)nnc2c1 ZINC000028702865 563074771 /nfs/dbraw/zinc/07/47/71/563074771.db2.gz RUSDJHGJLODJFG-HSZRJFAPSA-N 0 3 496.659 5.375 1 0 JKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(NC(=O)Nc3ccc(-c4ccccc4Cl)s3)CC1)=CC2 ZINC000028708690 563075864 /nfs/dbraw/zinc/07/58/64/563075864.db2.gz DMQITEVZZIIBEU-RXVVDRJESA-N 0 3 470.082 6.647 1 0 JKAFHN CC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc(Oc4cccc(C(F)(F)F)c4)c3)CC2)c1 ZINC000028710580 563076184 /nfs/dbraw/zinc/07/61/84/563076184.db2.gz RQFGRKWTNDBOJO-UHFFFAOYSA-N 0 3 496.573 7.472 1 0 JKAFHN CCNCc1cc(Nc2cc(C)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)ccc1OC ZINC000028760402 563078135 /nfs/dbraw/zinc/07/81/35/563078135.db2.gz TWTCQPASYKCATG-UHFFFAOYSA-N 0 3 472.380 5.573 1 0 JKAFHN COc1ccc2c(c1)OCC(c1ccc(F)cc1)=C2c1ccc(OCCN2CCCCC2)cc1 ZINC000028762231 563078240 /nfs/dbraw/zinc/07/82/40/563078240.db2.gz NWQQABYDLWMYKC-UHFFFAOYSA-N 0 3 459.561 6.051 1 0 JKAFHN CCCCN[C@H](c1c(Cl)cccc1Cl)[C@@H](NCCCC)c1c(Cl)cccc1Cl ZINC000028764695 563078608 /nfs/dbraw/zinc/07/86/08/563078608.db2.gz DXNSSGMGCRRGKI-SZPZYZBQSA-N 0 3 462.292 7.862 1 0 JKAFHN CN1CCN(CCCCOc2ccc(C3O[C@@H](c4ccccc4)[C@H](c4ccccc4)O3)cc2)CC1 ZINC000028816326 563079547 /nfs/dbraw/zinc/07/95/47/563079547.db2.gz SSLJAYIRKBZYRD-VMPREFPWSA-N 0 3 472.629 5.621 1 0 JKAFHN CN1CCN(CCCOc2ccc(C3O[C@H](c4ccc(F)cc4)[C@@H](c4ccc(F)cc4)O3)cc2)CC1 ZINC000028816258 563079586 /nfs/dbraw/zinc/07/95/86/563079586.db2.gz AFRTYNAGIRJBPZ-VSGBNLITSA-N 0 3 494.582 5.509 1 0 JKAFHN COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000028820018 563080469 /nfs/dbraw/zinc/08/04/69/563080469.db2.gz ZIRYRORSOPJCRQ-SKQAHVGISA-N 0 3 479.709 5.195 1 0 JKAFHN COc1ccc(N2Cc3cc(Cl)c(C)c(Cl)c3C2=O)cc1OCCN1CCC(C)CC1 ZINC000028819812 563080492 /nfs/dbraw/zinc/08/04/92/563080492.db2.gz VBUNLDDXAPTFKF-UHFFFAOYSA-N 0 3 463.405 5.582 1 0 JKAFHN COc1ccc(N2Cc3c(c(C(F)(F)F)ccc3F)C2=O)cc1OCCN1CCC(C)CC1 ZINC000028819792 563080531 /nfs/dbraw/zinc/08/05/31/563080531.db2.gz XRQFPQYRQPBQCP-UHFFFAOYSA-N 0 3 466.475 5.124 1 0 JKAFHN CN(Cc1ccccc1)Cc1ccc(CN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 ZINC000028821660 563080718 /nfs/dbraw/zinc/08/07/18/563080718.db2.gz BTRZZZIDRSFEJR-UHFFFAOYSA-N 0 3 490.594 8.140 1 0 JKAFHN O[C@@H]1CCN(Cc2ccc(CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)C1 ZINC000028821664 563080732 /nfs/dbraw/zinc/08/07/32/563080732.db2.gz VVFXZVXUOOVAMA-HXUWFJFHSA-N 0 3 456.533 6.075 1 0 JKAFHN CC(C)N(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(N[C@@H](C)c2ccccc2)n1 ZINC000028822145 563080926 /nfs/dbraw/zinc/08/09/26/563080926.db2.gz QCQYNGRBBRXDCO-NRFANRHFSA-N 0 3 494.618 6.611 1 0 JKAFHN CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000028827047 563082766 /nfs/dbraw/zinc/08/27/66/563082766.db2.gz FIZLAMUFFLKTOQ-LUPFDQBXSA-N 0 3 464.502 5.752 1 0 JKAFHN CSc1ccc([C@@H]2CN(C)Cc3cc(Oc4ccc(CN5CCCCC5)cn4)ccc32)cc1 ZINC000028827082 563082855 /nfs/dbraw/zinc/08/28/55/563082855.db2.gz UCIGGFFPBMFKPO-MHZLTWQESA-N 0 3 459.659 6.159 1 0 JKAFHN CSc1ccc([C@H]2CN(C)Cc3cc(Oc4nc(CN5CCOCC5)cs4)ccc32)cc1 ZINC000028827091 563082862 /nfs/dbraw/zinc/08/28/62/563082862.db2.gz UOWNRACHYJYUBG-XMMPIXPASA-N 0 3 467.660 5.067 1 0 JKAFHN CSc1ccc([C@H]2CN(C)Cc3cc(Oc4cc(CN5CCCCC5)ccn4)ccc32)cc1 ZINC000028827077 563082899 /nfs/dbraw/zinc/08/28/99/563082899.db2.gz AWKILERFBATDPB-HHHXNRCGSA-N 0 3 459.659 6.159 1 0 JKAFHN Fc1ccc(Cn2c3ccccc3nc2NC2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000028827101 563082934 /nfs/dbraw/zinc/08/29/34/563082934.db2.gz SFGYYAJTKKIMHJ-UHFFFAOYSA-N 0 3 456.565 5.235 1 0 JKAFHN COc1ccc2nccc([C@@H]3CN(C[C@H]4CCCN(Cc5cc6ccccc6[nH]5)C4)C(=O)O3)c2c1 ZINC000028892398 563085182 /nfs/dbraw/zinc/08/51/82/563085182.db2.gz OBRNQODSNCZSMH-PPHZAIPVSA-N 0 3 470.573 5.130 1 0 JKAFHN COc1ccc2nccc([C@@H]3CN(C[C@@H]4CCCN(Cc5cc6ccccc6[nH]5)C4)C(=O)O3)c2c1 ZINC000028892388 563085200 /nfs/dbraw/zinc/08/52/00/563085200.db2.gz OBRNQODSNCZSMH-WINIVTDRSA-N 0 3 470.573 5.130 1 0 JKAFHN CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2[C@H](c2cc(Cl)ccc2Cl)C1 ZINC000028893075 563085304 /nfs/dbraw/zinc/08/53/04/563085304.db2.gz KRWTTWQHPPVRDH-HSZRJFAPSA-N 0 3 451.413 5.774 1 0 JKAFHN COc1ccc2nccc([C@H]3CN(C4CCN(Cc5cc6ccccc6s5)CC4)C(=O)O3)c2c1 ZINC000028893404 563085423 /nfs/dbraw/zinc/08/54/23/563085423.db2.gz OMCPFDYSAAARCE-RUZDIDTESA-N 0 3 473.598 5.616 1 0 JKAFHN COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6o5)CC4)C(=O)O3)c2c1 ZINC000028893390 563085448 /nfs/dbraw/zinc/08/54/48/563085448.db2.gz NEBVJGRFYWCFPT-SANMLTNESA-N 0 3 457.530 5.148 1 0 JKAFHN Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1CN1CC[C@@H](CCc2ccccc2)C1 ZINC000028903809 563086545 /nfs/dbraw/zinc/08/65/45/563086545.db2.gz PBEQQVOUDMAYFD-XMMPIXPASA-N 0 3 498.074 6.707 1 0 JKAFHN CC(C)Cc1ccc(CN2CCC[C@@H](CNS(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1 ZINC000028959598 563088855 /nfs/dbraw/zinc/08/88/55/563088855.db2.gz UOJGKFVUZMGEMF-FQEVSTJZSA-N 0 3 469.478 5.382 1 0 JKAFHN O=C(NCCNCc1ccc2ccccc2c1)c1ccc2nc(NC(=O)C3CCCC3)sc2c1 ZINC000028967641 563089452 /nfs/dbraw/zinc/08/94/52/563089452.db2.gz JXMCNJRFCGNBKS-UHFFFAOYSA-N 0 3 472.614 5.098 1 0 JKAFHN Fc1ccc(C(OCCN2CCN(CC34CC5CC(CC(C5)C3)C4)CC2)c2ccc(F)cc2)cc1 ZINC000028967233 563089499 /nfs/dbraw/zinc/08/94/99/563089499.db2.gz OHRKBQFWESEFTG-UHFFFAOYSA-N 0 3 480.643 5.905 1 0 JKAFHN O=C(CCNCc1ccc(-c2ccccc2)cc1)Nc1ccc2nc(NC(=O)C3CCCC3)sc2c1 ZINC000028967713 563089579 /nfs/dbraw/zinc/08/95/79/563089579.db2.gz XZZBKAIDPAWXQU-UHFFFAOYSA-N 0 3 498.652 6.210 1 0 JKAFHN CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4nccs4)cc3)nc2n1 ZINC000028980019 563090449 /nfs/dbraw/zinc/09/04/49/563090449.db2.gz ZKGZBXPPWINVIJ-UHFFFAOYSA-N 0 3 469.639 5.870 1 0 JKAFHN O=C1[N-]C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3ccc4c(c3)CCC4)ccc21 ZINC000029048567 563092712 /nfs/dbraw/zinc/09/27/12/563092712.db2.gz DSZYHHLLCSBGGF-CEUNXORHSA-N 0 3 492.623 5.628 1 0 JKAFHN Cc1ccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)[N-]C3=O)cc1 ZINC000029049455 563092878 /nfs/dbraw/zinc/09/28/78/563092878.db2.gz JJUUEVWWXUDQCO-IMRQLAEWSA-N 0 3 466.585 5.448 1 0 JKAFHN COc1cccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)[N-]C3=O)c1 ZINC000029049306 563092880 /nfs/dbraw/zinc/09/28/80/563092880.db2.gz GPGAVPURZYDROK-IMRQLAEWSA-N 0 3 482.584 5.148 1 0 JKAFHN Cc1ccccc1Nc1ccc2c(c1)C(=CNc1ccc(C[NH+]3CCCCC3)cc1)C(=O)[N-]C2=O ZINC000029049643 563092882 /nfs/dbraw/zinc/09/28/82/563092882.db2.gz HZXWDVXKGDEDLY-ITYLOYPMSA-N 0 3 466.585 5.448 1 0 JKAFHN CC[C@]1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)c(Cl)cc21 ZINC000029055342 563093600 /nfs/dbraw/zinc/09/36/00/563093600.db2.gz UGUFLBWATQHHEI-XMMPIXPASA-N 0 3 464.412 5.725 1 0 JKAFHN Cc1ccc([C@H]2[C@@H]3CCCN3[C@]3(c4ccccc4NC3=O)[C@]23CC[C@@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000029127101 563095445 /nfs/dbraw/zinc/09/54/45/563095445.db2.gz JFUBHBTZKIOMIU-HMINTENPSA-N 0 3 489.619 5.331 1 0 JKAFHN CNCc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000029131083 563097077 /nfs/dbraw/zinc/09/70/77/563097077.db2.gz WMIWAHNZDCLEIJ-UHFFFAOYSA-N 0 3 462.421 5.206 1 0 JKAFHN COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccncc1)CC2 ZINC000029133668 563097627 /nfs/dbraw/zinc/09/76/27/563097627.db2.gz WWTXVMIWFBVHQA-UHFFFAOYSA-N 0 3 471.601 5.401 1 0 JKAFHN Cc1cc(C)cc(NCc2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134458 563097901 /nfs/dbraw/zinc/09/79/01/563097901.db2.gz JOIHEMQQGFZZCK-UHFFFAOYSA-N 0 3 484.648 5.229 1 0 JKAFHN O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCNC[C@@H]3c3ccccn3)cc12 ZINC000029322303 563100264 /nfs/dbraw/zinc/10/02/64/563100264.db2.gz FOTDOIGKSDTJRO-HHHXNRCGSA-N 0 3 483.612 5.441 1 0 JKAFHN Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4-c4ccccc4)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000029405058 563102775 /nfs/dbraw/zinc/10/27/75/563102775.db2.gz XZBLPOKMIVGXML-SSHYCOHZSA-N 0 3 490.603 5.035 1 0 JKAFHN OC(CCN1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)(c1ccccc1)c1ccccc1 ZINC000029559940 563106912 /nfs/dbraw/zinc/10/69/12/563106912.db2.gz URCYATFOBKERTP-VEEOACQBSA-N 0 3 496.601 6.601 1 0 JKAFHN COc1ccc(OC)c(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1 ZINC000029565608 563107388 /nfs/dbraw/zinc/10/73/88/563107388.db2.gz CBEBYDUPXCEZQC-UHFFFAOYSA-N 0 3 488.607 5.360 1 0 JKAFHN Cc1cc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)ccc1O ZINC000029568564 563107563 /nfs/dbraw/zinc/10/75/63/563107563.db2.gz FGHCPLVGQLEUSC-UHFFFAOYSA-N 0 3 458.581 5.357 1 0 JKAFHN O=C(CCCN1CCC(Nc2nc3cccnc3n2Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000029567581 563107565 /nfs/dbraw/zinc/10/75/65/563107565.db2.gz XQJYIMNSODJKOR-UHFFFAOYSA-N 0 3 489.570 5.297 1 0 JKAFHN CN1CCCC[C@H]1CNc1nc(-c2ccc(Cl)c(Cl)c2)nc(C(Cl)(Cl)Cl)n1 ZINC000032251660 563109656 /nfs/dbraw/zinc/10/96/56/563109656.db2.gz HKEPPBSAECZRMA-NSHDSACASA-N 0 3 469.631 5.568 1 0 JKAFHN C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c([C@@H](CN(C)C)c3ccccc3)nnc21 ZINC000034187046 563112426 /nfs/dbraw/zinc/11/24/26/563112426.db2.gz SWOIADWBLRUHCX-JPYJTQIMSA-N 0 3 455.993 5.526 1 0 JKAFHN OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(CCCOc2ccc(Cl)cc2)CC1 ZINC000034289855 563112888 /nfs/dbraw/zinc/11/28/88/563112888.db2.gz KAHMCOXDBVWXEX-UHFFFAOYSA-N 0 3 471.975 6.035 1 0 JKAFHN CCc1c2cc(O)ccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1-c1ccc(O)cc1 ZINC000034365425 563113395 /nfs/dbraw/zinc/11/33/95/563113395.db2.gz RJTYEAQEYYFOOM-UHFFFAOYSA-N 0 3 470.613 6.195 1 0 JKAFHN O=C(NCc1cccc(F)c1)NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000034637559 563114258 /nfs/dbraw/zinc/11/42/58/563114258.db2.gz VTNWSYVFHWRNDS-UHFFFAOYSA-N 0 3 474.502 5.099 1 0 JKAFHN CC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1nc(-c2ccc3ccccc3c2)c[nH]1 ZINC000034947211 563117612 /nfs/dbraw/zinc/11/76/12/563117612.db2.gz PFMPKMYQXOCJMI-VWLOTQADSA-N 0 3 460.622 5.269 1 0 JKAFHN FC(F)(F)c1cc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c(N2CCCCC2)c1 ZINC000035783901 563120302 /nfs/dbraw/zinc/12/03/02/563120302.db2.gz HHTJUOATJDYQCI-UHFFFAOYSA-N 0 3 498.475 5.312 1 0 JKAFHN O=C1c2cccc(N3CCNCC3)c2Oc2ccc(F)cc2N1Cc1cccc(C(F)(F)F)c1 ZINC000035834069 563120662 /nfs/dbraw/zinc/12/06/62/563120662.db2.gz UKUSBCHEZDGDHS-UHFFFAOYSA-N 0 3 471.454 5.207 1 0 JKAFHN CN(C)CCOc1ccc(-c2[nH]c3ncnc(NCC4SCCS4)c3c2-c2ccccc2)cc1 ZINC000035850835 563120859 /nfs/dbraw/zinc/12/08/59/563120859.db2.gz RHDMCDPPAAUUMD-UHFFFAOYSA-N 0 3 491.686 5.450 1 0 in-vitro JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000036285900 563125363 /nfs/dbraw/zinc/12/53/63/563125363.db2.gz MRZJRIAYJVBIBG-QFIPXVFZSA-N 0 3 453.593 5.760 1 0 JKAFHN CN(Cc1nnc[nH]1)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324238 563125768 /nfs/dbraw/zinc/12/57/68/563125768.db2.gz UCWYYDBINVOBHN-URVUXULASA-N 0 3 498.471 5.806 1 0 JKAFHN CN(C)[C@H]1CCN(c2ccc(-c3cn(C)c4cc(-c5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1 ZINC000036351528 563126889 /nfs/dbraw/zinc/12/68/89/563126889.db2.gz SIBZEQKWAZXRSW-QFIPXVFZSA-N 0 3 492.545 5.427 1 0 JKAFHN O=C(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000036351462 563126893 /nfs/dbraw/zinc/12/68/93/563126893.db2.gz GTVHXLDACMVUIE-UHFFFAOYSA-N 0 3 457.570 5.026 1 0 JKAFHN CN(C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(OC(F)(F)F)cc5)ccc4c3=O)cn2)C1 ZINC000036351532 563126901 /nfs/dbraw/zinc/12/69/01/563126901.db2.gz XYQYXLDNDZGLOY-HXUWFJFHSA-N 0 3 495.501 5.561 1 0 JKAFHN CN(C)[C@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(Br)cc5)ccc4c3=O)cn2)C1 ZINC000036351619 563126949 /nfs/dbraw/zinc/12/69/49/563126949.db2.gz WVSHVBGLHZFHAA-NRFANRHFSA-N 0 3 490.401 5.425 1 0 JKAFHN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CCCCC3)ccc2c1 ZINC000038149734 563132227 /nfs/dbraw/zinc/13/22/27/563132227.db2.gz UUZGQDHCPMCNHE-UHFFFAOYSA-N 0 3 487.028 6.302 1 0 JKAFHN COc1ccc(C(=O)O[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1OC ZINC000038226642 563133402 /nfs/dbraw/zinc/13/34/02/563133402.db2.gz OZGNRFCBGBCSNJ-NSOVKSMOSA-N 0 3 457.570 5.156 1 0 JKAFHN COc1ccccc1NC(=S)N[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000038255020 563133555 /nfs/dbraw/zinc/13/35/55/563133555.db2.gz PVIGSSNGUGUCED-KAYWLYCHSA-N 0 3 457.643 5.277 1 0 JKAFHN Cc1c2cc(F)ccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1-c1ccc(O)cc1 ZINC000038403947 563134342 /nfs/dbraw/zinc/13/43/42/563134342.db2.gz IPCBICMFFHDIIG-UHFFFAOYSA-N 0 3 458.577 6.374 1 0 JKAFHN Cc1c(Br)c(C(F)F)sc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000038909296 563135716 /nfs/dbraw/zinc/13/57/16/563135716.db2.gz NWXXPGVWBCQODO-UHFFFAOYSA-N 0 3 456.356 5.190 1 0 JKAFHN COc1cccc2c(-c3ccc4c(c3OCc3ccccc3)[C@@H](C)N[C@H](C)C4)c(C)cc(OC)c12 ZINC000039145633 563136269 /nfs/dbraw/zinc/13/62/69/563136269.db2.gz FHALVTUCNXEXPF-NHCUHLMSSA-N 0 3 467.609 7.007 1 0 JKAFHN CO[C@@H]1CC[C@H]1CNc1ncnc2[nH]c(-c3ccc(OCCN(C)C)cc3)c(-c3ccccc3)c21 ZINC000039470901 563136829 /nfs/dbraw/zinc/13/68/29/563136829.db2.gz IZQHOXWWRDCUSH-JTHBVZDNSA-N 0 3 471.605 5.069 1 0 JKAFHN COc1cccc(CCc2ccccc2OCCCCCN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000040379871 563137419 /nfs/dbraw/zinc/13/74/19/563137419.db2.gz RRFOHVSSMLSIPZ-UHFFFAOYSA-N 0 3 493.091 6.505 1 0 in-vitro JKAFHN Cc1nnc(C(C)C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1 ZINC000040392520 563137972 /nfs/dbraw/zinc/13/79/72/563137972.db2.gz SFVYQDVYAMTRIX-DEOSSOPVSA-N 0 3 487.639 5.420 1 0 JKAFHN COc1ccc(-c2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)[N-]C3=O)cc1 ZINC000040412695 563140960 /nfs/dbraw/zinc/14/09/60/563140960.db2.gz QJIPVBVDKKXKDL-IMRQLAEWSA-N 0 3 467.569 5.071 1 0 JKAFHN Cc1cc(NC(=O)c2cccc(CN3CCCCC3)c2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040420522 563141347 /nfs/dbraw/zinc/14/13/47/563141347.db2.gz QEPNAZQTTVMJTB-UHFFFAOYSA-N 0 3 495.067 6.166 1 0 JKAFHN N[C@@H](CCCCN(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C1 ZINC000040423946 563142662 /nfs/dbraw/zinc/14/26/62/563142662.db2.gz PCOGZLWJDIEVOA-XIFFEERXSA-N 0 3 499.658 7.171 1 0 JKAFHN O=c1oc(-c2ccccc2)cc(-c2ccccc2)c1-c1ccc(OCCN2CCCCC2)cc1 ZINC000040424327 563142835 /nfs/dbraw/zinc/14/28/35/563142835.db2.gz QEWYNISBNQSJFM-UHFFFAOYSA-N 0 3 451.566 6.506 1 0 JKAFHN CCc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040505684 563145002 /nfs/dbraw/zinc/14/50/02/563145002.db2.gz PRMUEEVLNKBVMW-UHFFFAOYSA-N 0 3 465.584 5.944 1 0 JKAFHN Cc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040505894 563145033 /nfs/dbraw/zinc/14/50/33/563145033.db2.gz XFFORGOKPBZABQ-UHFFFAOYSA-N 0 3 451.557 5.690 1 0 JKAFHN C[S@](=O)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040802218 563148603 /nfs/dbraw/zinc/14/86/03/563148603.db2.gz WHKWTWBLMAMRTJ-PGUFJCEWSA-N 0 3 499.623 5.119 1 0 JKAFHN COc1cc(-n2cnc3cc(-c4ccccc4Cl)sc3c2=O)ccc1OCCN1CCCC1 ZINC000040822706 563148829 /nfs/dbraw/zinc/14/88/29/563148829.db2.gz JWOQCTDYQSXXEP-UHFFFAOYSA-N 0 3 482.005 5.251 1 0 JKAFHN CC(C)(C)c1ccc(-c2nc3c(cccc3N3CCN(Cc4ccc5ccccc5c4)CC3)[nH]2)cc1 ZINC000040862455 563150352 /nfs/dbraw/zinc/15/03/52/563150352.db2.gz PFPQZHUMCMLIMX-UHFFFAOYSA-N 0 3 474.652 7.003 1 0 JKAFHN CCN(C(=O)c1ccc(OC)cc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040864062 563150655 /nfs/dbraw/zinc/15/06/55/563150655.db2.gz QSYUMABLKKWHMQ-DWACAAAGSA-N 0 3 491.676 5.058 1 0 JKAFHN CCN(C(=O)c1ccccc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040864069 563150658 /nfs/dbraw/zinc/15/06/58/563150658.db2.gz SJAHKAVMZZYMHY-AMGIVPHBSA-N 0 3 461.650 5.049 1 0 JKAFHN CCN(C(=O)NCc1ccccc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040867009 563151296 /nfs/dbraw/zinc/15/12/96/563151296.db2.gz QLEJJPXFHLHHDG-LXFBAYGMSA-N 0 3 490.692 5.119 1 0 JKAFHN CCN(C(=O)OCc1ccccc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040867216 563151316 /nfs/dbraw/zinc/15/13/16/563151316.db2.gz HUXMKUMBJXCMBH-LXFBAYGMSA-N 0 3 491.676 5.546 1 0 JKAFHN CN(C)C[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1)c1ccccc1 ZINC000040894081 563153607 /nfs/dbraw/zinc/15/36/07/563153607.db2.gz ORXJSAVDNFYTHE-SFHVURJKSA-N 0 3 469.408 5.087 1 0 JKAFHN O=C(Nc1ccc2c(c1)C[C@@H](NCc1ccccn1)C2)c1ccccc1-c1ccc(Cl)cc1 ZINC000040898424 563154223 /nfs/dbraw/zinc/15/42/23/563154223.db2.gz BWKLXPHCBYUBIF-VWLOTQADSA-N 0 3 453.973 5.911 1 0 JKAFHN Cc1ccc([C@@H]2CN(C)[C@]3(c4cccc5cccc(c45)C3=O)[C@]23CCc2c4ccccc4[nH]c2C3=O)cc1 ZINC000040919250 563156640 /nfs/dbraw/zinc/15/66/40/563156640.db2.gz IXOLNTUAIKCPRR-BIWWMPFASA-N 0 3 496.610 6.566 1 0 JKAFHN O=C(NCC1CC1)c1ccc(F)c2c1C[C@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040937377 563158219 /nfs/dbraw/zinc/15/82/19/563158219.db2.gz XXNJBGZBTVVHER-QFIPXVFZSA-N 0 3 493.598 5.377 1 0 in-vitro JKAFHN CC(C)NC(=O)c1ccc(F)c2c1C[C@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040943552 563159117 /nfs/dbraw/zinc/15/91/17/563159117.db2.gz VLMQEJQNJJVDFP-NRFANRHFSA-N 0 3 481.587 5.375 1 0 in-vitro JKAFHN Cc1cc(C(=O)Nc2ccc(CN(C)C)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040950206 563159309 /nfs/dbraw/zinc/15/93/09/563159309.db2.gz VXHYDBRIBAUJIE-UHFFFAOYSA-N 0 3 455.002 5.242 1 0 JKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCCN1CCCCC1 ZINC000040952076 563159825 /nfs/dbraw/zinc/15/98/25/563159825.db2.gz SSYXDHNBTDRYDC-HSZRJFAPSA-N 0 3 496.664 6.651 1 0 JKAFHN OC[C@H]1CCCN1CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc21 ZINC000042887498 563163270 /nfs/dbraw/zinc/16/32/70/563163270.db2.gz OCSHJFOIIRJOEA-QGZVFWFLSA-N 0 3 498.418 5.077 1 0 JKAFHN C[C@@H](Oc1cc(-c2cnc3ccccn32)sc1C(N)=O)c1ccc(CN(C)C)cc1Cl ZINC000043022271 563165168 /nfs/dbraw/zinc/16/51/68/563165168.db2.gz HJHRRHSCQOCGQG-CQSZACIVSA-N 0 3 454.983 5.017 1 0 JKAFHN c1c2ccc(C3=NCCN3)cc2oc1-c1ccc(OCCCCCCOc2ccccc2)cc1 ZINC000043060323 563165625 /nfs/dbraw/zinc/16/56/25/563165625.db2.gz VRDMIDPSGPQRMH-UHFFFAOYSA-N 0 3 454.570 6.468 1 0 JKAFHN Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nc(CNC3CCCC3)n2C2CCC2)cc1 ZINC000043060569 563165737 /nfs/dbraw/zinc/16/57/37/563165737.db2.gz IXVGMZBRGGKQBF-UHFFFAOYSA-N 0 3 474.863 7.935 1 0 JKAFHN O=C(N[C@@H]1CCc2ccccc21)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000043122463 563167739 /nfs/dbraw/zinc/16/77/39/563167739.db2.gz WJPBCNFVYZLFMH-HHHXNRCGSA-N 0 3 468.597 5.287 1 0 JKAFHN C1=C\Cn2ccc3ccc(cc32)-c2ccnc(n2)Nc2ccc(OCCN3CCCC3)c(c2)COC/1 ZINC000043198502 563168425 /nfs/dbraw/zinc/16/84/25/563168425.db2.gz OEOVBBKVSXNPSX-ONEGZZNKSA-N 0 3 481.600 5.403 1 0 JKAFHN c1ccc(-c2cc(NCCNc3cc(-c4ccccc4)nc4ccccc43)c3ccccc3n2)cc1 ZINC000045166846 563172865 /nfs/dbraw/zinc/17/28/65/563172865.db2.gz QAGKGDQDDBPONT-UHFFFAOYSA-N 0 3 466.588 7.641 1 0 JKAFHN CN(C)CC[NH2+]Cc1cccc(-c2ccc3c(c2)nccc3Nc2cc([O-])c(Cl)cc2F)c1 ZINC000045167328 563173019 /nfs/dbraw/zinc/17/30/19/563173019.db2.gz KKCXYVVORLYAAZ-UHFFFAOYSA-N 0 3 464.972 5.795 1 0 JKAFHN COc1ccc(CN2CCCN(Cc3cccc(C(=O)Nc4ccc(C)c(F)c4)c3)CC2)cc1 ZINC000045167174 563173036 /nfs/dbraw/zinc/17/30/36/563173036.db2.gz IMWQKBYSDHQKEB-UHFFFAOYSA-N 0 3 461.581 5.103 1 0 JKAFHN COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1CN(C)CCN(C)C ZINC000045167117 563173041 /nfs/dbraw/zinc/17/30/41/563173041.db2.gz QTACITHBPWLOOX-UHFFFAOYSA-N 0 3 451.998 5.261 1 0 JKAFHN CCOc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000045167359 563173129 /nfs/dbraw/zinc/17/31/29/563173129.db2.gz AWQIYOVPJIEJGI-OAQYLSRUSA-N 0 3 474.992 5.286 1 0 JKAFHN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3ccc(CN(C)C)cc3)c1)CC2 ZINC000045168294 563173533 /nfs/dbraw/zinc/17/35/33/563173533.db2.gz BLKJBGRVNMCIDA-UHFFFAOYSA-N 0 3 469.507 6.037 1 0 JKAFHN COc1cc(NC(=O)N2CCc3cc(OC)c(OCCN4CCCCC4)cc32)cc(C(F)(F)F)c1 ZINC000045168268 563173621 /nfs/dbraw/zinc/17/36/21/563173621.db2.gz ZKAXCJMCQQAZJI-UHFFFAOYSA-N 0 3 493.526 5.182 1 0 JKAFHN Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000045168377 563173719 /nfs/dbraw/zinc/17/37/19/563173719.db2.gz GQTCVGANRDYWJZ-VWLOTQADSA-N 0 3 455.533 5.588 1 0 JKAFHN Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)[C@H](C)CN5CCN(C)CC5)c4)cc3)nc21 ZINC000045168675 563173833 /nfs/dbraw/zinc/17/38/33/563173833.db2.gz HLFQYDXHINYQLB-OAQYLSRUSA-N 0 3 467.617 5.027 1 0 JKAFHN Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)[C@H](C)CN5CCN(C)CC5)c4)cc3)[nH]c21 ZINC000045168675 563173834 /nfs/dbraw/zinc/17/38/34/563173834.db2.gz HLFQYDXHINYQLB-OAQYLSRUSA-N 0 3 467.617 5.027 1 0 JKAFHN CCc1ccccc1-c1csc(C(=O)NC[C@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C2)c1 ZINC000045168921 563173972 /nfs/dbraw/zinc/17/39/72/563173972.db2.gz HHYOLQZXNIOQGD-JOCHJYFZSA-N 0 3 460.687 6.527 1 0 JKAFHN COCCNCc1cccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000045191875 563176067 /nfs/dbraw/zinc/17/60/67/563176067.db2.gz NBFLVNYJWFSQQI-UHFFFAOYSA-N 0 3 475.592 7.174 1 0 JKAFHN COc1cccc(-c2ccc(C(=O)NC3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)s2)c1 ZINC000045193581 563176662 /nfs/dbraw/zinc/17/66/62/563176662.db2.gz FQCOZUUQJCQQIS-UHFFFAOYSA-N 0 3 462.659 6.116 1 0 JKAFHN CC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)o1 ZINC000045194184 563176983 /nfs/dbraw/zinc/17/69/83/563176983.db2.gz OAZOKZILUZXCEE-UHFFFAOYSA-N 0 3 479.024 5.854 1 0 JKAFHN O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCN(Cc3cccc(F)c3)CC2)cc1 ZINC000045194181 563176999 /nfs/dbraw/zinc/17/69/99/563176999.db2.gz SQMYTUDZDFKDHB-UHFFFAOYSA-N 0 3 451.973 5.439 1 0 JKAFHN O=c1cc(NCCCN[C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 ZINC000045194601 563177139 /nfs/dbraw/zinc/17/71/39/563177139.db2.gz LZWLRNCRJRUWNB-VWLOTQADSA-N 0 3 452.385 6.016 1 0 JKAFHN CC(C)Oc1ccccc1-c1csc(C(=O)NC[C@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C2)c1 ZINC000045195191 563177365 /nfs/dbraw/zinc/17/73/65/563177365.db2.gz ZDKVTSLJTWAGLE-HSZRJFAPSA-N 0 3 490.713 6.752 1 0 JKAFHN CCc1ccc(NC(=O)c2cccc(CN3CCCN(Cc4ccc(OC)cc4)CC3)c2)cc1 ZINC000045195430 563177376 /nfs/dbraw/zinc/17/73/76/563177376.db2.gz DDUNXJWZHHPARA-UHFFFAOYSA-N 0 3 457.618 5.218 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccc(O)cc3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045195316 563177482 /nfs/dbraw/zinc/17/74/82/563177482.db2.gz PZJGXTGMEQZRDX-UHFFFAOYSA-N 0 3 491.635 6.019 1 0 JKAFHN CC(C)(C)c1ccc(CN2CCC(NC(=O)c3ccc(-c4ccccc4Cl)s3)CC2)cc1 ZINC000045195923 563177696 /nfs/dbraw/zinc/17/76/96/563177696.db2.gz NYUVRLZEORVLCU-UHFFFAOYSA-N 0 3 467.078 6.760 1 0 JKAFHN CC(=O)Nc1ccc(CN(Cc2ccc(C)cc2)Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000045195855 563177745 /nfs/dbraw/zinc/17/77/45/563177745.db2.gz MOSZUIPYGBUUCP-UHFFFAOYSA-N 0 3 450.582 6.948 1 0 JKAFHN Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)c1 ZINC000045201042 563177931 /nfs/dbraw/zinc/17/79/31/563177931.db2.gz KBTVWHPJRKAVDE-UHFFFAOYSA-N 0 3 490.632 7.520 1 0 JKAFHN O=C(Nc1ccccc1)N1CCO[C@](CCN2CCC(F)(F)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000045201503 563178163 /nfs/dbraw/zinc/17/81/63/563178163.db2.gz KWBYAAUQHIGGSX-QHCPKHFHSA-N 0 3 498.401 5.874 1 0 JKAFHN COc1ccc(CN2CCCN(Cc3cccc(NC(=O)c4ccc5ccccc5c4)c3)CC2)cc1 ZINC000045202121 563178571 /nfs/dbraw/zinc/17/85/71/563178571.db2.gz IYAMSSJACQTHFJ-UHFFFAOYSA-N 0 3 479.624 5.809 1 0 JKAFHN c1cc(-c2ccccn2)sc1CNCc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000045202168 563178618 /nfs/dbraw/zinc/17/86/18/563178618.db2.gz AVQBDMIVACKYGF-UHFFFAOYSA-N 0 3 472.617 7.310 1 0 JKAFHN COc1ccc(NC(=O)c2ccc(-c3ccc(-c4cccnc4)cc3)c(C)c2)cc1OCCN(C)C ZINC000045202392 563178676 /nfs/dbraw/zinc/17/86/76/563178676.db2.gz MSCMBKAAIIVLRO-UHFFFAOYSA-N 0 3 481.596 5.925 1 0 JKAFHN OCC1CCN(Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)c2)CC1 ZINC000045202706 563178980 /nfs/dbraw/zinc/17/89/80/563178980.db2.gz FVYMUZUPYTYLGY-UHFFFAOYSA-N 0 3 471.548 6.182 1 0 JKAFHN CC(=O)Nc1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045202929 563179095 /nfs/dbraw/zinc/17/90/95/563179095.db2.gz KGLSRXABOBPNTM-LJQANCHMSA-N 0 3 468.022 5.279 1 0 JKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)s1 ZINC000045210111 563179228 /nfs/dbraw/zinc/17/92/28/563179228.db2.gz VTDXDAZIRAHTCY-UHFFFAOYSA-N 0 3 468.985 5.478 1 0 JKAFHN Cc1c(Br)c(C(F)=C(F)F)sc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000045210090 563179232 /nfs/dbraw/zinc/17/92/32/563179232.db2.gz LCLOWHVMDCNBBB-UHFFFAOYSA-N 0 3 486.357 5.787 1 0 JKAFHN CN(C)Cc1ccc(-c2ccc(NC(=O)c3ccc4c(c3)ncn(Cc3ccoc3)c4=O)cc2)cc1 ZINC000045210336 563179338 /nfs/dbraw/zinc/17/93/38/563179338.db2.gz UOXMKWXASZAEMC-UHFFFAOYSA-N 0 3 478.552 5.019 1 0 JKAFHN COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1CN(C)CCN(C)C ZINC000045227980 563180332 /nfs/dbraw/zinc/18/03/32/563180332.db2.gz SPONQBOUWOEOKA-UHFFFAOYSA-N 0 3 451.998 5.261 1 0 JKAFHN FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CNC[C@H]5CCCO5)cc4)s3)nc2c1 ZINC000045228492 563180402 /nfs/dbraw/zinc/18/04/02/563180402.db2.gz MLDKNYIBPOAVJX-GOSISDBHSA-N 0 3 457.521 6.246 1 0 JKAFHN O=C(NCCN1CCCC1)c1cccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)c1 ZINC000045229187 563180681 /nfs/dbraw/zinc/18/06/81/563180681.db2.gz VBWIQHWXVXKXCV-UHFFFAOYSA-N 0 3 494.599 5.582 1 0 JKAFHN C[C@@H]1C[C@H](NCCCNc2cc(=O)c3ccccc3[nH]2)c2c1cc(Cl)c(Cl)c2Cl ZINC000045229450 563180764 /nfs/dbraw/zinc/18/07/64/563180764.db2.gz QPDFIYBQMXBUFK-PXAZEXFGSA-N 0 3 450.797 6.128 1 0 JKAFHN CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)C1 ZINC000045229924 563180923 /nfs/dbraw/zinc/18/09/23/563180923.db2.gz ISEWOCHSSCVVNI-RUZDIDTESA-N 0 3 467.613 6.451 1 0 JKAFHN Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)[C@H](C)CN5CCN(C)CC5)c4)c3)nc21 ZINC000045230044 563181036 /nfs/dbraw/zinc/18/10/36/563181036.db2.gz SDQKNXPESRXBSL-OAQYLSRUSA-N 0 3 467.617 5.027 1 0 JKAFHN Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)[C@H](C)CN5CCN(C)CC5)c4)c3)[nH]c21 ZINC000045230044 563181037 /nfs/dbraw/zinc/18/10/37/563181037.db2.gz SDQKNXPESRXBSL-OAQYLSRUSA-N 0 3 467.617 5.027 1 0 JKAFHN Cn1nccc1-c1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCCN1CCCCC1 ZINC000045253205 563182066 /nfs/dbraw/zinc/18/20/66/563182066.db2.gz XRBRXMZIBLYNRX-UHFFFAOYSA-N 0 3 487.526 5.615 1 0 JKAFHN Cn1nccc1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1 ZINC000045254336 563182344 /nfs/dbraw/zinc/18/23/44/563182344.db2.gz KCBVIIJSUCZYQC-UHFFFAOYSA-N 0 3 453.974 5.249 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cccc(F)c3)CC2)cc1 ZINC000045255039 563182525 /nfs/dbraw/zinc/18/25/25/563182525.db2.gz KNAWLGCFMHPKJM-UHFFFAOYSA-N 0 3 489.635 5.859 1 0 JKAFHN Cn1nccc1-c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OCCN1CCCCC1 ZINC000045256605 563182805 /nfs/dbraw/zinc/18/28/05/563182805.db2.gz HCECHHDZKCPBPX-UHFFFAOYSA-N 0 3 487.526 5.615 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccc(C)cc3)CC2)cc1 ZINC000045260524 563183206 /nfs/dbraw/zinc/18/32/06/563183206.db2.gz GUIZSHZGBWRXCY-UHFFFAOYSA-N 0 3 485.672 6.028 1 0 JKAFHN O=c1n(CC2CCCCC2)c2cc(Cl)cc(OCCNc3ccncc3)c2n1CC1CCCCC1 ZINC000045302564 563186564 /nfs/dbraw/zinc/18/65/64/563186564.db2.gz RDXFPKUEUKJPQX-UHFFFAOYSA-N 0 3 497.083 6.503 1 0 JKAFHN CC(=O)N(C)[C@@H]1CCN(Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045302612 563186569 /nfs/dbraw/zinc/18/65/69/563186569.db2.gz KILYUFCKRQXCRA-XMMPIXPASA-N 0 3 492.545 5.968 1 0 JKAFHN COc1ccc(NC(=O)c2ccc3[nH]c(-c4ccc(Cl)cc4)cc3c2)cc1OCCN(C)C ZINC000045302728 563186737 /nfs/dbraw/zinc/18/67/37/563186737.db2.gz VCAUZMACRDNXBU-UHFFFAOYSA-N 0 3 463.965 5.690 1 0 JKAFHN COc1c(Br)cc(Br)cc1-c1ccc(CN2CC3CCC2CC3)[nH]1 ZINC000045302812 563186829 /nfs/dbraw/zinc/18/68/29/563186829.db2.gz SXMBFVRGXVUMMH-UHFFFAOYSA-N 0 3 454.206 5.590 1 0 JKAFHN CC(C)(C)c1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4ccccc4Cl)cs3)C2)cc1 ZINC000045303103 563187039 /nfs/dbraw/zinc/18/70/39/563187039.db2.gz VABZIYZXMTULOP-FQEVSTJZSA-N 0 3 467.078 6.618 1 0 JKAFHN COC(=O)c1cccc(CNCc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)c1 ZINC000045303120 563187055 /nfs/dbraw/zinc/18/70/55/563187055.db2.gz GVDLZVWLFPCXQX-UHFFFAOYSA-N 0 3 453.567 6.035 1 0 JKAFHN CC(C)(C)c1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4ccccc4Cl)cs3)C2)cc1 ZINC000045303102 563187109 /nfs/dbraw/zinc/18/71/09/563187109.db2.gz VABZIYZXMTULOP-HXUWFJFHSA-N 0 3 467.078 6.618 1 0 JKAFHN Cc1cccc2[nH]c(-c3cccc(-c4cccc(C(=O)N5CCCC[C@@H]5CN5CC[C@H](O)C5)c4)c3)nc21 ZINC000045303287 563187244 /nfs/dbraw/zinc/18/72/44/563187244.db2.gz QSNZZEJFTRZQLY-SXOMAYOGSA-N 0 3 494.639 5.267 1 0 JKAFHN Cc1cccc2nc(-c3cccc(-c4cccc(C(=O)N5CCCC[C@@H]5CN5CC[C@H](O)C5)c4)c3)[nH]c21 ZINC000045303287 563187245 /nfs/dbraw/zinc/18/72/45/563187245.db2.gz QSNZZEJFTRZQLY-SXOMAYOGSA-N 0 3 494.639 5.267 1 0 JKAFHN COc1ccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1CN1CCC(O)CC1 ZINC000045320149 563188013 /nfs/dbraw/zinc/18/80/13/563188013.db2.gz UXGFSHUBVOWEQG-UHFFFAOYSA-N 0 3 450.966 5.225 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3cccc(O)c3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045320630 563188025 /nfs/dbraw/zinc/18/80/25/563188025.db2.gz HUCJHPXHMVHZPF-UHFFFAOYSA-N 0 3 491.635 6.019 1 0 JKAFHN O=c1cc(NCCCNCc2cc(Cl)cc(Cl)c2OCc2ccccc2)[nH]c2ccccc12 ZINC000045321930 563188302 /nfs/dbraw/zinc/18/83/02/563188302.db2.gz NLCIUZZRHQYASJ-UHFFFAOYSA-N 0 3 482.411 6.006 1 0 JKAFHN CC[C@H]1CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C ZINC000045324237 563189132 /nfs/dbraw/zinc/18/91/32/563189132.db2.gz YFVKRDMXSKCSGH-QILUIRDISA-N 0 3 473.661 5.750 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3cccnc3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045324788 563189211 /nfs/dbraw/zinc/18/92/11/563189211.db2.gz UXAGURRQZFPNEC-UHFFFAOYSA-N 0 3 469.416 5.349 1 0 JKAFHN COc1cccc(C(=O)[C@H]2C[C@H]2CN2CC=C(c3c[nH]c4cccc(Br)c43)CC2)c1 ZINC000045324625 563189294 /nfs/dbraw/zinc/18/92/94/563189294.db2.gz MXEWUAJHINAMCA-ICSRJNTNSA-N 0 3 465.391 5.547 1 0 JKAFHN CC(C)(C)c1ccc(CN2CCC(CNC(=O)c3cc(-c4ccccc4)nc4ccccc43)CC2)cc1 ZINC000045324801 563189316 /nfs/dbraw/zinc/18/93/16/563189316.db2.gz DEBIFBUTPOCKCP-UHFFFAOYSA-N 0 3 491.679 6.841 1 0 JKAFHN CC(C)c1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045325182 563189355 /nfs/dbraw/zinc/18/93/55/563189355.db2.gz GAMUHMMWFPYBPF-HXUWFJFHSA-N 0 3 453.051 6.444 1 0 JKAFHN COc1ccc(CNCc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)cc1 ZINC000045324987 563189415 /nfs/dbraw/zinc/18/94/15/563189415.db2.gz CLXVHCVOTGLGAT-UHFFFAOYSA-N 0 3 487.525 7.214 1 0 JKAFHN COc1ccc(C(=O)[C@@H]2C[C@@H]2CN2CC=C(c3c[nH]c4cccc(Br)c43)CC2)cc1 ZINC000045334625 563189501 /nfs/dbraw/zinc/18/95/01/563189501.db2.gz KCWXRCHMZWEHEO-UYAOXDASSA-N 0 3 465.391 5.547 1 0 JKAFHN Cc1ccc(CN2CCCN(Cc3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)CC2)cc1 ZINC000045335083 563189900 /nfs/dbraw/zinc/18/99/00/563189900.db2.gz BTRHLTHPQAEXJI-UHFFFAOYSA-N 0 3 482.455 6.262 1 0 JKAFHN OC1(c2ccc(Cl)cc2)CCN(CCCN(Cc2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000045337960 563190676 /nfs/dbraw/zinc/19/06/76/563190676.db2.gz SVTCSJBPBZSPPM-UHFFFAOYSA-N 0 3 469.456 6.374 1 0 JKAFHN Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCCN(C)C)c(C(F)(F)F)c1)CC2 ZINC000045338111 563190688 /nfs/dbraw/zinc/19/06/88/563190688.db2.gz OLIBLZPTQUPYEG-UHFFFAOYSA-N 0 3 475.433 5.568 1 0 JKAFHN Cc1[nH]nc2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3cc(F)ccc3[O-])cc12 ZINC000045351726 563191926 /nfs/dbraw/zinc/19/19/26/563191926.db2.gz GRMBXYBGEBAHFY-NRFANRHFSA-N 0 3 468.532 5.394 1 0 JKAFHN CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC[N@@H+](Cc2cccs2)CC3)cc1 ZINC000049015259 563197226 /nfs/dbraw/zinc/19/72/26/563197226.db2.gz NCLAAFBKONZYBL-UHFFFAOYSA-N 0 3 454.661 5.492 1 0 JKAFHN CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC[N@H+](Cc2cccs2)CC3)cc1 ZINC000049015259 563197227 /nfs/dbraw/zinc/19/72/27/563197227.db2.gz NCLAAFBKONZYBL-UHFFFAOYSA-N 0 3 454.661 5.492 1 0 JKAFHN c1c2ccccc2[nH]c1CN(Cc1ccc(CNCc2ccccn2)cc1)[C@@H]1CCCc2cccnc21 ZINC000049070940 563201299 /nfs/dbraw/zinc/20/12/99/563201299.db2.gz IEWXODVRBFFDRL-WJOKGBTCSA-N 0 3 487.651 6.328 1 0 JKAFHN Oc1cccc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N[C@@H]3CN4CCC3CC4)cc2)c1 ZINC000049112160 563202395 /nfs/dbraw/zinc/20/23/95/563202395.db2.gz GMJUHMVIMKBELC-AREMUKBSSA-N 0 3 488.595 5.337 1 0 JKAFHN CC(C)Oc1ccccc1N1CCN(C2CCC(N3C(=O)c4ccc5ccccc5c4C3=O)CC2)CC1 ZINC000053006967 563204902 /nfs/dbraw/zinc/20/49/02/563204902.db2.gz DJGBDGBJUAFKHX-UHFFFAOYSA-N 0 3 497.639 5.356 1 0 JKAFHN CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccccc3Cl)CC2)CC1 ZINC000053026018 563204989 /nfs/dbraw/zinc/20/49/89/563204989.db2.gz LHOVFJRBCVNIQC-UHFFFAOYSA-N 0 3 471.045 5.382 1 0 in-vitro JKAFHN CCCc1nc(-c2ccccc2)c(CNCCN2CCN(c3ccccc3C(F)(F)F)CC2)o1 ZINC000053313987 563205864 /nfs/dbraw/zinc/20/58/64/563205864.db2.gz SRCHRTJTFUMUPC-UHFFFAOYSA-N 0 3 472.555 5.225 1 0 JKAFHN O=C(/C=C/CN1C2CCC1CC2)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c32)C1 ZINC000059125675 563208826 /nfs/dbraw/zinc/20/88/26/563208826.db2.gz ZXPWQTWHRXRMRM-OWOJBTEDSA-N 0 3 498.027 5.295 1 0 JKAFHN C[C@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(Cc2ccccc2)CC1 ZINC000059687981 563209160 /nfs/dbraw/zinc/20/91/60/563209160.db2.gz QAYFVNCGVVULCG-JOCHJYFZSA-N 0 3 485.643 7.488 1 0 JKAFHN C[C@@H](NC(=O)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)c1cccc2ccccc21 ZINC000061897343 563209854 /nfs/dbraw/zinc/20/98/54/563209854.db2.gz AZSPFDMYBYLBOG-HSZRJFAPSA-N 0 3 464.609 6.722 3 0 JKAFHN COc1ccc(OCCN2CCC(C(=O)N[C@@H](c3ccccc3)c3ccc4ccccc4n3)CC2)cc1 ZINC000061898085 563209924 /nfs/dbraw/zinc/20/99/24/563209924.db2.gz CLUCMFKOKXHDQU-PMERELPUSA-N 0 3 495.623 5.240 3 0 JKAFHN O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000061904427 563210187 /nfs/dbraw/zinc/21/01/87/563210187.db2.gz WUCXFTSLOBXKNU-XMMPIXPASA-N 0 3 489.468 6.052 3 0 JKAFHN O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000061904426 563210195 /nfs/dbraw/zinc/21/01/95/563210195.db2.gz WUCXFTSLOBXKNU-DEOSSOPVSA-N 0 3 489.468 6.052 3 0 JKAFHN CCCCN(C)C(=O)c1ccc(Nc2nc([C@@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)nc1 ZINC000061905227 563210256 /nfs/dbraw/zinc/21/02/56/563210256.db2.gz QCYKWMDBJTXBTH-SFHVURJKSA-N 0 3 477.556 5.415 3 0 JKAFHN N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 ZINC000061908499 563210773 /nfs/dbraw/zinc/21/07/73/563210773.db2.gz HEKPANGKDKIOPZ-KRWDZBQOSA-N 0 3 457.481 5.730 3 0 JKAFHN N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 ZINC000061908498 563210809 /nfs/dbraw/zinc/21/08/09/563210809.db2.gz HEKPANGKDKIOPZ-QGZVFWFLSA-N 0 3 457.481 5.730 3 0 JKAFHN CCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1-c1ccc2ccc(O)cc2c1)OCNC ZINC000085597468 291582570 /nfs/dbraw/zinc/58/25/70/291582570.db2.gz GYUXGJGPKZYUGC-XMMPIXPASA-N 0 3 451.563 5.181 1 0 biogenic,in-vitro JKAFHN CN1CCC(c2csc3ccc(NC(=O)Nc4ccc(-c5ccncc5)c5ccccc45)cc32)CC1 ZINC000000582564 562918008 /nfs/dbraw/zinc/91/80/08/562918008.db2.gz TUPJECHPEGKXTN-UHFFFAOYSA-N 0 3 492.648 7.570 1 0 JKAFHN Oc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000000600755 562918500 /nfs/dbraw/zinc/91/85/00/562918500.db2.gz WLEXCTJQABXUGS-UHFFFAOYSA-N 0 3 461.583 6.637 1 0 JKAFHN Oc1ccc2c(ccc3c2[C@H](c2ccc(OCCN4CCCCC4)cc2)Oc2cc(O)ccc2-3)c1 ZINC000000607948 562918694 /nfs/dbraw/zinc/91/86/94/562918694.db2.gz BVMPSVISGVGNDN-PMERELPUSA-N 0 3 467.565 6.265 1 0 JKAFHN COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000001540649 562920743 /nfs/dbraw/zinc/92/07/43/562920743.db2.gz RQXJVDYSRNWVNF-VWLOTQADSA-N 0 3 467.635 5.058 1 0 JKAFHN COc1ccc2c(c1)oc(Cc1ccc(Cl)cc1)c2-c1ccc(OCCN2CCCC2)cc1 ZINC000001539919 562920762 /nfs/dbraw/zinc/92/07/62/562920762.db2.gz FDUYRWZCEVMVKN-UHFFFAOYSA-N 0 3 461.989 6.827 1 0 JKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccc(F)cc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000001541971 562920874 /nfs/dbraw/zinc/92/08/74/562920874.db2.gz HKOBHPSQGCLOAD-UHFFFAOYSA-N 0 3 475.585 6.509 1 0 JKAFHN Clc1cccc(N2CCN(CCCN3CCc4c5ccccc5[nH]c4[C@H]3c3cccnc3)CC2)c1 ZINC000001622992 562921684 /nfs/dbraw/zinc/92/16/84/562921684.db2.gz SWRGZBWFGHMEOU-GDLZYMKVSA-N 0 3 486.063 5.376 1 0 JKAFHN COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NCc1ccc(F)cc1)CC2 ZINC000001631531 562921794 /nfs/dbraw/zinc/92/17/94/562921794.db2.gz FAAULQKFYXONRY-NRFANRHFSA-N 0 3 481.589 5.378 1 0 JKAFHN Clc1ccc([C@H](Cc2cccc(Cl)c2)c2c(Cl)nc(N3CCNCC3)nc2Cl)cc1 ZINC000001654584 562922600 /nfs/dbraw/zinc/92/26/00/562922600.db2.gz XJNSDCGPKMHVLU-SFHVURJKSA-N 0 3 482.242 5.874 1 0 JKAFHN C=C1c2nc3ccccc3n2C=C(c2ccc(OC)cc2)N1c1ccc(OCCN2CCCCC2)cc1 ZINC000001658147 562922776 /nfs/dbraw/zinc/92/27/76/562922776.db2.gz INJDFHJYJUGOAJ-UHFFFAOYSA-N 0 3 492.623 6.356 1 0 JKAFHN C=C1c2nc3ccccc3n2C=C(c2ccc(Cl)cc2)N1c1ccc(OCCN2CCCCC2)cc1 ZINC000001658148 562922779 /nfs/dbraw/zinc/92/27/79/562922779.db2.gz SYCXKBSWUDJTMU-UHFFFAOYSA-N 0 3 497.042 7.001 1 0 JKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1)c1ccc(SCCN2CCCCC2)cc1 ZINC000002002921 562924348 /nfs/dbraw/zinc/92/43/48/562924348.db2.gz ARJOCRMEGRIBFE-UHFFFAOYSA-N 0 3 489.662 6.789 1 0 JKAFHN O[C@@H](/C=C1\C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000003791027 562928254 /nfs/dbraw/zinc/92/82/54/562928254.db2.gz IICYPFHJKGRIGE-YZQOCSGXSA-N 0 3 463.543 6.592 1 0 JKAFHN CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)(C)C)cn3ccccc23)cc1 ZINC000003809859 562928675 /nfs/dbraw/zinc/92/86/75/562928675.db2.gz MLVJLNHTLWGDOJ-UHFFFAOYSA-N 0 3 498.733 6.741 1 0 JKAFHN CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000003817199 562928942 /nfs/dbraw/zinc/92/89/42/562928942.db2.gz XRSROGZJPUWHNX-UHFFFAOYSA-N 0 3 472.791 7.488 1 0 JKAFHN CCCO[C@]12Cc3c4ccccc4[nH]c3[C@]3(C)Oc4c5c(ccc4O)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000003823628 562929360 /nfs/dbraw/zinc/92/93/60/562929360.db2.gz OSKKOECOXAMZPR-QVDUQQMDSA-N 0 3 470.613 5.181 1 0 JKAFHN COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCCCC2)cc(OC)c1 ZINC000003825294 562929432 /nfs/dbraw/zinc/92/94/32/562929432.db2.gz WYNFRQRHCRBFCL-UHFFFAOYSA-N 0 3 461.002 5.357 1 0 JKAFHN C[C@@H]1CCN(CCOc2ccc(C(=O)c3c4ccc(O)cc4sc3-c3ccc(O)cc3)cc2)C1 ZINC000003928594 562930063 /nfs/dbraw/zinc/93/00/63/562930063.db2.gz NITXIOJXVVTKIJ-GOSISDBHSA-N 0 3 473.594 5.931 1 0 JKAFHN Oc1ccc2c(ccc3c2[C@H](c2ccc(OCCN4CCCCC4)cc2)c2cccc(O)c2C3)c1 ZINC000003948514 562930590 /nfs/dbraw/zinc/93/05/90/562930590.db2.gz DLCGHEAGXLUOOT-SSEXGKCCSA-N 0 3 465.593 6.200 1 0 JKAFHN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1 ZINC000003955924 562930833 /nfs/dbraw/zinc/93/08/33/562930833.db2.gz CGJCRBMQFRCOFW-FQEVSTJZSA-N 0 3 457.418 5.252 1 0 JKAFHN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CCN(c1ccncc1)CC2 ZINC000003955825 562930849 /nfs/dbraw/zinc/93/08/49/562930849.db2.gz FOBUBABAVNENOA-UHFFFAOYSA-N 0 3 471.445 5.642 1 0 JKAFHN Oc1ccc([C@@H]2Sc3ccc(O)cc3O[C@@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000003973828 562931319 /nfs/dbraw/zinc/93/13/19/562931319.db2.gz YFBBUNQHPDYKHQ-SXOMAYOGSA-N 0 3 463.599 5.930 1 0 JKAFHN COc1ccc(C2=CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000003987174 562931561 /nfs/dbraw/zinc/93/15/61/562931561.db2.gz IVMHXRSBRWFJOD-UHFFFAOYSA-N 0 3 461.389 5.297 1 0 JKAFHN Oc1cccc([C@H]2CCc3cc(O)ccc3N2Cc2ccc(OCCN3CCCCC3)cc2)c1 ZINC000003988484 562931646 /nfs/dbraw/zinc/93/16/46/562931646.db2.gz VPHDBSKPCLXHJV-MUUNZHRXSA-N 0 3 458.602 5.657 1 0 JKAFHN Oc1ccc([C@H]2CCc3cc(O)ccc3N2Cc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000003988482 562931663 /nfs/dbraw/zinc/93/16/63/562931663.db2.gz IQBSKHUUKFFBOG-MUUNZHRXSA-N 0 3 458.602 5.657 1 0 JKAFHN C[C@H](N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc21 ZINC000003992151 562931729 /nfs/dbraw/zinc/93/17/29/562931729.db2.gz WWABBSQIRKPECQ-DPSWKAHMSA-N 0 3 492.563 5.679 1 0 JKAFHN Clc1ccc(C2=C(c3ccccc3)[C@H](c3ccc(Cl)cc3)N3C(=N[C@H]4CCCC[C@@H]43)N2)cc1 ZINC000005832826 562935236 /nfs/dbraw/zinc/93/52/36/562935236.db2.gz YLEVINLUJCOCAK-DPZBCOQUSA-N 0 3 474.435 7.189 1 0 JKAFHN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](C(=O)NCCN(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005889636 562935684 /nfs/dbraw/zinc/93/56/84/562935684.db2.gz PCGYYIHRQWNZFL-JTTLDEKKSA-N 0 3 484.813 7.322 1 0 JKAFHN CCc1cc(Br)cc2c1NCC[C@@H]2NCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000009133060 562955604 /nfs/dbraw/zinc/95/56/04/562955604.db2.gz MLMOIYINWZMPBY-IBGZPJMESA-N 0 3 455.400 5.214 1 0 JKAFHN O=c1cc(NCCCN[C@H]2CCNc3c(Cl)cc(Br)cc32)[nH]c2ccccc12 ZINC000009132485 562955622 /nfs/dbraw/zinc/95/56/22/562955622.db2.gz LPOGITPRGYGPQH-KRWDZBQOSA-N 0 3 461.791 5.305 1 0 JKAFHN COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]2Cc2ccccc2)cc1 ZINC000013450713 562964642 /nfs/dbraw/zinc/96/46/42/562964642.db2.gz IAWUNHZEGQUGDL-BJKOFHAPSA-N 0 3 496.573 5.807 1 0 JKAFHN CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C)cn3ccccc23)cc1 ZINC000013451433 562964753 /nfs/dbraw/zinc/96/47/53/562964753.db2.gz WDHVBVQFLZYGRT-UHFFFAOYSA-N 0 3 456.652 5.752 1 0 JKAFHN COc1cc2c(cc1OC/C=C/CN1CCCC1)ncnc2Nc1ccc(Br)cc1F ZINC000013472785 562966040 /nfs/dbraw/zinc/96/60/40/562966040.db2.gz ZMAGOHAYMIZJEE-SNAWJCMRSA-N 0 3 487.373 5.314 1 0 JKAFHN O=C1Nc2cccc3c2[C@]1(CCCCN1CCN(c2ccccc2C(F)(F)F)CC1)CCC3 ZINC000013473688 562966388 /nfs/dbraw/zinc/96/63/88/562966388.db2.gz HYXNSCCPMMIWRC-VWLOTQADSA-N 0 3 457.540 5.224 1 0 JKAFHN CCOc1c(CNCCCNc2cc(=O)c3ccccc3[nH]2)cc(Br)cc1SC ZINC000013487783 562967954 /nfs/dbraw/zinc/96/79/54/562967954.db2.gz NCUNWSAIEXYEDQ-UHFFFAOYSA-N 0 3 476.440 5.415 1 0 JKAFHN CC(C)Oc1ccc2cc(C3CCN(C[C@H](O)COc4cccc5[nH]ccc54)CC3)sc2c1 ZINC000013490082 562969147 /nfs/dbraw/zinc/96/91/47/562969147.db2.gz XRZXDKTYUFAGLZ-NRFANRHFSA-N 0 3 464.631 5.789 1 0 JKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)N1c2ccc(O)cc2CC[C@@H]1c1cccc(O)c1 ZINC000013490108 562969179 /nfs/dbraw/zinc/96/91/79/562969179.db2.gz DSPKFOXJJPPMJT-HHHXNRCGSA-N 0 3 472.585 5.297 1 0 JKAFHN O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1 ZINC000013493014 562970183 /nfs/dbraw/zinc/97/01/83/562970183.db2.gz GWZCTNJFVWRKTG-UHFFFAOYSA-N 0 3 483.591 5.036 1 0 JKAFHN C[C@]1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(O)c1 ZINC000013523358 562971116 /nfs/dbraw/zinc/97/11/16/562971116.db2.gz UWLIBOKLGCNWFW-LJAQVGFWSA-N 0 3 458.602 5.289 1 0 JKAFHN CC(C)c1cccc(N2CCc3cc(O)ccc3[C@@]2(C)c2ccc(OCCN3CCCCC3)cc2)c1 ZINC000013523386 562971136 /nfs/dbraw/zinc/97/11/36/562971136.db2.gz FZFDZCOFXXVCFT-JGCGQSQUSA-N 0 3 484.684 6.707 1 0 JKAFHN O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CNC(c1ccccc1)c1ccccc1 ZINC000013529360 562972052 /nfs/dbraw/zinc/97/20/52/562972052.db2.gz KYWRASYTPSAUIR-HHHXNRCGSA-N 0 3 465.593 5.621 1 0 JKAFHN C[C@H]1C[C@H](c2cc3cc(Cl)ccc3s2)CCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535704 562972694 /nfs/dbraw/zinc/97/26/94/562972694.db2.gz BGZIQVATPJECEV-QKLQHJQFSA-N 0 3 455.023 6.044 1 0 JKAFHN O=c1c2cc([O-])ccc2c2c(n1-c1ccc(OCC[NH+]3CCCCC3)cc1)-c1ccc(O)cc1CC2 ZINC000013558514 562974402 /nfs/dbraw/zinc/97/44/02/562974402.db2.gz WSROZOIOMLHLDF-UHFFFAOYSA-N 0 3 482.580 5.032 1 0 JKAFHN N=C1NC(=N)N(c2cccc(Cl)c2)[C@@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1 ZINC000013559329 562974870 /nfs/dbraw/zinc/97/48/70/562974870.db2.gz NQOAVWUDLYOSJF-IBGZPJMESA-N 0 3 459.859 5.299 1 0 JKAFHN N=C1NC(=N)N(c2cccc(Cl)c2)[C@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1 ZINC000013559326 562974891 /nfs/dbraw/zinc/97/48/91/562974891.db2.gz MNCDAFBBQIQRLQ-LJQANCHMSA-N 0 3 460.752 5.587 1 0 JKAFHN COc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000013559708 562975055 /nfs/dbraw/zinc/97/50/55/562975055.db2.gz YZZSCHIRBXQHLG-NKHHQPSRSA-N 0 3 485.027 5.995 1 0 JKAFHN Oc1ccc(C2=C(c3ccc(OCCN4CCCCC4)cc3)Oc3ccc(O)cc3S2)cc1 ZINC000013560493 562975424 /nfs/dbraw/zinc/97/54/24/562975424.db2.gz UVCNFCMLDVBLRS-UHFFFAOYSA-N 0 3 461.583 5.973 1 0 JKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CC[C@@H](c3cc4ccc(F)cc4s3)C[C@@H]2C)[nH]1 ZINC000013587195 562976871 /nfs/dbraw/zinc/97/68/71/562976871.db2.gz QTJFUCCBJOSPTA-DSKINZAPSA-N 0 3 452.595 5.838 1 0 JKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CC[C@H](c3cc4cccc(F)c4s3)C[C@H]2C)[nH]1 ZINC000013587187 562976974 /nfs/dbraw/zinc/97/69/74/562976974.db2.gz LVZXIRSLFCVVQC-HBFSDRIKSA-N 0 3 452.595 5.838 1 0 JKAFHN CC(=O)NCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588183 562977544 /nfs/dbraw/zinc/97/75/44/562977544.db2.gz UGWUUDYHNSCFBW-UHFFFAOYSA-N 0 3 455.587 5.414 1 0 JKAFHN Cc1c(C(=O)c2ccccc2I)c2ccccc2n1C[C@H]1CCCCN1C ZINC000013674193 562982946 /nfs/dbraw/zinc/98/29/46/562982946.db2.gz FPYAVJFDESIWFK-QGZVFWFLSA-N 0 3 472.370 5.270 1 0 JKAFHN Oc1ccc2c(ccc(-c3ccc(F)cc3)c2Oc2ccc(OCCN3CCCCC3)cc2)c1 ZINC000013674656 562983040 /nfs/dbraw/zinc/98/30/40/562983040.db2.gz CGNLKIUQLVMBMO-UHFFFAOYSA-N 0 3 457.545 7.009 1 0 JKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@@H](C2)N(C/C=C/c2ccccc2)CC[C@]314 ZINC000013729847 562985167 /nfs/dbraw/zinc/98/51/67/562985167.db2.gz IDQUAQRNJGIRIN-UKOLQDBRSA-N 0 3 460.577 5.761 1 0 JKAFHN Cc1c(CCN2CCN(c3cc(C)ccn3)CC2)c2cc(Cc3ccccc3)cc3c2n1CCC3 ZINC000013740434 562986758 /nfs/dbraw/zinc/98/67/58/562986758.db2.gz YOAOJVQZWHAZDW-UHFFFAOYSA-N 0 3 464.657 5.555 1 0 JKAFHN O=C1OC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013740647 562986811 /nfs/dbraw/zinc/98/68/11/562986811.db2.gz JPUMLQVRNXWYSA-QGZVFWFLSA-N 0 3 456.342 5.296 1 0 JKAFHN CCCC[C@@H]1CCc2cc(OC)cc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000013740446 562986859 /nfs/dbraw/zinc/98/68/59/562986859.db2.gz FEMWGJLEXOCVFL-XMMPIXPASA-N 0 3 460.666 5.704 1 0 JKAFHN O=C(Nc1ccc(C(=O)N2CCC[C@H](N3CCCCC3)c3ccccc32)cc1)c1ccccc1Cl ZINC000013758008 562988881 /nfs/dbraw/zinc/98/88/81/562988881.db2.gz PMSNZJVELGXKFG-SANMLTNESA-N 0 3 488.031 6.560 1 0 JKAFHN C[C@H]1SC(C)(C)C(=O)N1CCCCN1CCN(c2cn(-c3ccccc3)c3ccccc23)CC1 ZINC000013759413 562989250 /nfs/dbraw/zinc/98/92/50/562989250.db2.gz KQVBGTRXBYOVJC-JOCHJYFZSA-N 0 3 476.690 5.233 1 0 JKAFHN Fc1ccc(/C=C/CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013778615 562991199 /nfs/dbraw/zinc/99/11/99/562991199.db2.gz YDZYLPUMQSSILT-OWOJBTEDSA-N 0 3 465.559 7.025 1 0 JKAFHN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3ccccc3)n2)CC1 ZINC000013782358 562992494 /nfs/dbraw/zinc/99/24/94/562992494.db2.gz GBTOCKWVZPRJGX-UHFFFAOYSA-N 0 3 454.401 5.697 1 0 JKAFHN COC(=O)C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000013802225 562994296 /nfs/dbraw/zinc/99/42/96/562994296.db2.gz MVHSSBPHEADWGK-UHFFFAOYSA-N 0 3 478.032 5.563 1 0 JKAFHN O=C([O-])[C@@H](C1CC1)[N@@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819435 562997208 /nfs/dbraw/zinc/99/72/08/562997208.db2.gz OPTDOXJRILUDSH-ZGIBFIJWSA-N 0 3 460.662 5.300 1 0 JKAFHN O=C([O-])[C@@H](C1CC1)[N@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819435 562997210 /nfs/dbraw/zinc/99/72/10/562997210.db2.gz OPTDOXJRILUDSH-ZGIBFIJWSA-N 0 3 460.662 5.300 1 0 JKAFHN COCCN(CCOc1ccc(-c2cnc3c(-c4ccsc4)cnn3c2)cc1)Cc1ccccc1 ZINC000013819813 562997252 /nfs/dbraw/zinc/99/72/52/562997252.db2.gz SYXUIDNWCZVPRH-UHFFFAOYSA-N 0 3 484.625 5.652 1 0 JKAFHN CN(C(=O)CCN1CCN(c2ccccc2)CC1)[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820037 562997288 /nfs/dbraw/zinc/99/72/88/562997288.db2.gz GMPRLNXHTCYFGT-ZQIDGUAPSA-N 0 3 463.691 5.311 1 0 JKAFHN O=C(CCCN1CCN(c2ccc(F)cc2)CC1)N[C@H]1c2cc(F)ccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820102 562997338 /nfs/dbraw/zinc/99/73/38/562997338.db2.gz WHHWDIHXUUGMCX-MUXSNRJPSA-N 0 3 499.671 5.637 1 0 JKAFHN Cc1ccc(N2CCN(CCCC(=O)N[C@H]3c4ccccc4CSc4ccccc43)CC2)cc1 ZINC000013820564 562997480 /nfs/dbraw/zinc/99/74/80/562997480.db2.gz KHFABOMGCQAPGG-LJAQVGFWSA-N 0 3 471.670 5.409 1 0 JKAFHN Cc1ccc(N2CCN(CCCC(=O)N[C@@H]3c4ccccc4CSc4ccccc43)CC2)cc1 ZINC000013820562 562997484 /nfs/dbraw/zinc/99/74/84/562997484.db2.gz KHFABOMGCQAPGG-GDLZYMKVSA-N 0 3 471.670 5.409 1 0 JKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC([C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000013824917 562998224 /nfs/dbraw/zinc/99/82/24/562998224.db2.gz HNUBHTPNYJQGMQ-LJAQVGFWSA-N 0 3 476.592 5.745 1 0 JKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000013824890 562998238 /nfs/dbraw/zinc/99/82/38/562998238.db2.gz RGPVIYPWZPOWLD-PMERELPUSA-N 0 3 475.604 6.350 1 0 JKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824885 562998247 /nfs/dbraw/zinc/99/82/47/562998247.db2.gz UOVDXOWGCPVUBQ-UHFFFAOYSA-N 0 3 493.594 6.489 1 0 JKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccc(Cl)cc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834288 563000872 /nfs/dbraw/zinc/00/08/72/563000872.db2.gz CXNZLOIPQFMHLT-UHFFFAOYSA-N 0 3 492.040 7.023 1 0 JKAFHN COc1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834284 563000898 /nfs/dbraw/zinc/00/08/98/563000898.db2.gz KOFDGHCTXVZHIH-UHFFFAOYSA-N 0 3 487.621 6.378 1 0 JKAFHN O=C(c1c2ccc(O)cc2sc1-c1cccc(F)c1)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834305 563000920 /nfs/dbraw/zinc/00/09/20/563000920.db2.gz VUQWRXYPRNBJPA-UHFFFAOYSA-N 0 3 475.585 6.509 1 0 JKAFHN Cc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834290 563000943 /nfs/dbraw/zinc/00/09/43/563000943.db2.gz XRFJZMYJWZRLRB-UHFFFAOYSA-N 0 3 471.622 6.678 1 0 JKAFHN C=Cc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834328 563001001 /nfs/dbraw/zinc/00/10/01/563001001.db2.gz QTRNBRCYOZEWCV-UHFFFAOYSA-N 0 3 483.633 7.013 1 0 JKAFHN FC(F)(F)c1ccc(O[C@H](CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 ZINC000013861707 563002610 /nfs/dbraw/zinc/00/26/10/563002610.db2.gz SMCJVPYCSOVUNZ-RUZDIDTESA-N 0 3 474.954 6.691 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CCN(CC=C(C)C)C[C@@H]2C)cc1 ZINC000013862309 563002814 /nfs/dbraw/zinc/00/28/14/563002814.db2.gz RAPGBRSVBRQUQR-NEKDWFFYSA-N 0 3 463.666 5.992 1 0 JKAFHN O=C(/C=C/CN1CCCCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000013863671 563003561 /nfs/dbraw/zinc/00/35/61/563003561.db2.gz XDNJRZIUYRZKNY-VMPITWQZSA-N 0 3 466.383 5.117 1 0 JKAFHN O=C(c1ccc(Cl)cc1)N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)CC2)CC1 ZINC000013981733 563005203 /nfs/dbraw/zinc/00/52/03/563005203.db2.gz CSMSBZWRUZAKQB-UHFFFAOYSA-N 0 3 475.032 6.651 1 0 JKAFHN Cc1cc2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nnc2cc1-c1cc([O-])ccc1Cl ZINC000013985125 563005343 /nfs/dbraw/zinc/00/53/43/563005343.db2.gz SIUNALDMRGZQBR-UHFFFAOYSA-N 0 3 475.980 5.577 1 0 JKAFHN O=C(NC1CCN(C2CC2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959632 563008276 /nfs/dbraw/zinc/00/82/76/563008276.db2.gz XDHLEMSKBSBEDC-UHFFFAOYSA-N 0 3 481.021 5.416 1 0 JKAFHN CC(C)(C)c1ccccc1N1CCN(CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000014975984 563010266 /nfs/dbraw/zinc/01/02/66/563010266.db2.gz BLCHSWWAUDRFLL-MHZLTWQESA-N 0 3 461.694 5.860 1 0 JKAFHN CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2[O-])c1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014974937 563010307 /nfs/dbraw/zinc/01/03/07/563010307.db2.gz FQKHRMZPORXQSR-UHFFFAOYSA-N 0 3 463.578 5.279 1 0 JKAFHN COc1cc(Br)c(-c2sc([N-]c3ccccc3)n[n+]2-c2ccccc2)cc1OC ZINC000015936221 563012011 /nfs/dbraw/zinc/01/20/11/563012011.db2.gz BSACPKYHGGSZQG-UHFFFAOYSA-N 0 3 469.384 5.610 3 0 JKAFHN COc1cc(Br)c(-c2sc([N-]c3ccccc3)n[n+]2-c2ccc(F)cc2)cc1OC ZINC000015936828 563012195 /nfs/dbraw/zinc/01/21/95/563012195.db2.gz WZULZNKAQIYQMQ-UHFFFAOYSA-N 0 3 487.374 5.749 3 0 JKAFHN COc1ccc([C@@H]2C=CCN(CC(C)C)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018099327 563014485 /nfs/dbraw/zinc/01/44/85/563014485.db2.gz NNYAVUFUPXYFKX-KYJUHHDHSA-N 0 3 486.631 6.043 1 0 JKAFHN COc1ccc(CN2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)c(OC)c1OC ZINC000019743573 563015182 /nfs/dbraw/zinc/01/51/82/563015182.db2.gz HACKVEKJIWDVGK-QHCPKHFHSA-N 0 3 496.611 5.611 1 0 JKAFHN c1c(CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)onc1-c1ccccc1 ZINC000022924687 563017517 /nfs/dbraw/zinc/01/75/17/563017517.db2.gz ZCBADRQTPNSBSB-UHFFFAOYSA-N 0 3 451.614 6.072 1 0 JKAFHN c1csc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)c1 ZINC000022924682 563017541 /nfs/dbraw/zinc/01/75/41/563017541.db2.gz OTODYHHNOABMMX-UHFFFAOYSA-N 0 3 457.643 6.133 1 0 JKAFHN O[C@@H](CNc1ccccc1)CN1CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022926445 563017646 /nfs/dbraw/zinc/01/76/46/563017646.db2.gz QZHQEYQOBSXHCY-LJAQVGFWSA-N 0 3 493.642 5.358 1 0 JKAFHN O=C(CCCCN1CCN(CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000022925743 563017655 /nfs/dbraw/zinc/01/76/55/563017655.db2.gz LWDROUBWOBOGMV-UHFFFAOYSA-N 0 3 469.673 5.641 1 0 JKAFHN Fc1ccc(CCCN2CCN(CCO[C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000022925640 563017679 /nfs/dbraw/zinc/01/76/79/563017679.db2.gz ZYWYGPJJVKXGOA-MUUNZHRXSA-N 0 3 450.573 5.321 1 0 JKAFHN CCCCN1CCN([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000022926941 563017774 /nfs/dbraw/zinc/01/77/74/563017774.db2.gz AHZURDXLPGFUJZ-QHCPKHFHSA-N 0 3 488.516 6.400 1 0 JKAFHN COc1ccc(CNCCN(C/C=C(\C)CCC=C(C)C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000022927719 563017974 /nfs/dbraw/zinc/01/79/74/563017974.db2.gz SGURFECUJWJUDC-BUVRLJJBSA-N 0 3 496.692 6.006 1 0 JKAFHN CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccsc4)C[C@H]23)CC1 ZINC000022935420 563018880 /nfs/dbraw/zinc/01/88/80/563018880.db2.gz GWFKATTZFMEJMS-QFZRFWILSA-N 0 3 491.076 5.132 1 0 JKAFHN O=C(CCCN1CCN(Cc2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000022940054 563019459 /nfs/dbraw/zinc/01/94/59/563019459.db2.gz QTYVDNWXAPXPDU-BOCWGRARSA-N 0 3 477.718 5.354 1 0 JKAFHN CCCCCCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022939649 563019490 /nfs/dbraw/zinc/01/94/90/563019490.db2.gz FQJZFNOUGGWXCS-UNHDOIQYSA-N 0 3 493.736 6.242 1 0 JKAFHN CO[C@H](CNc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022941128 563019821 /nfs/dbraw/zinc/01/98/21/563019821.db2.gz AKDRTSVLFIAYML-GDLZYMKVSA-N 0 3 493.642 5.622 1 0 JKAFHN Cc1nc[nH]c1CN1c2ccccc2CN(Cc2ccc(C(C)(C)C)cc2)C[C@H]1CCc1ccccc1 ZINC000025984445 563021049 /nfs/dbraw/zinc/02/10/49/563021049.db2.gz WVMMDJDPEOYFFD-SSEXGKCCSA-N 0 3 492.711 7.039 1 0 JKAFHN CC(C)(C)c1ccc(CN2Cc3ccccc3N(Cc3c[nH]cn3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025984357 563021068 /nfs/dbraw/zinc/02/10/68/563021068.db2.gz CCTBRCWXVIUBNA-PMERELPUSA-N 0 3 478.684 6.731 1 0 JKAFHN C[C@@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc21 ZINC000026161706 563022914 /nfs/dbraw/zinc/02/29/14/563022914.db2.gz BSAHGGLFJWEDNH-OFNKIYASSA-N 0 3 479.045 5.734 1 0 JKAFHN CCNC(=O)c1ccc(C(c2cccc(O)c2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2Cl)cc1 ZINC000026183267 563023851 /nfs/dbraw/zinc/02/38/51/563023851.db2.gz DQEZVQATMHYPIQ-WMPKNSHKSA-N 0 3 487.043 6.424 1 0 JKAFHN O=c1oc2ccccc2n1CCCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026187650 563024199 /nfs/dbraw/zinc/02/41/99/563024199.db2.gz XYBZNBKNSSNTBJ-UKILVPOCSA-N 0 3 475.539 5.663 1 0 JKAFHN NC(=O)CCN1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000026246762 563024319 /nfs/dbraw/zinc/02/43/19/563024319.db2.gz OGCFGCUAWCRMRJ-FPOVZHCZSA-N 0 3 474.445 5.322 1 0 JKAFHN O=C1c2ccccc2C(=O)N1CCCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026249348 563024402 /nfs/dbraw/zinc/02/44/02/563024402.db2.gz JIWKXPYRGPURED-XNMGPUDCSA-N 0 3 487.550 5.351 1 0 JKAFHN CC1(C)Oc2cc(O)ccc2C(c2ccc(OCCN3CCCCC3)cc2)=C1c1ccccc1 ZINC000026265052 563024790 /nfs/dbraw/zinc/02/47/90/563024790.db2.gz YASDDXZCJVVNMN-UHFFFAOYSA-N 0 3 455.598 6.387 1 0 JKAFHN Cc1ccccc1[C@@H](c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026506927 563029500 /nfs/dbraw/zinc/02/95/00/563029500.db2.gz NQRYZWXYAFHRHX-HHHXNRCGSA-N 0 3 460.585 5.036 1 0 JKAFHN O[C@H](CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000026576408 563030574 /nfs/dbraw/zinc/03/05/74/563030574.db2.gz HPCHCQKXJNQWHO-MUUNZHRXSA-N 0 3 465.588 5.234 1 0 JKAFHN CN(C[C@H](CCN1CCC(c2ccccc2)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000026580021 563031367 /nfs/dbraw/zinc/03/13/67/563031367.db2.gz SAAXXRQGKOSDGS-VWLOTQADSA-N 0 3 497.104 6.014 1 0 JKAFHN Cc1cc(O)cc2c1O[C@H](c1ccc(OCCN3CCCCC3)cc1)[C@H](c1ccc(O)cc1)S2 ZINC000026661275 563032814 /nfs/dbraw/zinc/03/28/14/563032814.db2.gz MKNABPHBCTZSIS-IZLXSDGUSA-N 0 3 477.626 6.238 1 0 JKAFHN COC(=O)[C@H]1CCC[C@@H](NCc2n[nH]c3cccc(OCc4ccc(Cl)c(Cl)c4)c32)C1 ZINC000026727645 563034037 /nfs/dbraw/zinc/03/40/37/563034037.db2.gz OAYAVSHLOXDZCU-JKSUJKDBSA-N 0 3 462.377 5.270 1 0 JKAFHN C[C@H](C[C@H](CCN1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027106317 563040348 /nfs/dbraw/zinc/04/03/48/563040348.db2.gz YOYKYWQOJLXSNN-YWEHKCAJSA-N 0 3 461.671 6.292 1 0 JKAFHN C[C@@H](C[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027106308 563040379 /nfs/dbraw/zinc/04/03/79/563040379.db2.gz YOYKYWQOJLXSNN-RBJSKKJNSA-N 0 3 461.671 6.292 1 0 JKAFHN O=C1[C@H](Cc2cccc3ccccc32)N(CCCCc2ccccc2)C(=O)N1CCN1CCCC1 ZINC000027179172 563040613 /nfs/dbraw/zinc/04/06/13/563040613.db2.gz SHECRVNWDQMYMJ-NDEPHWFRSA-N 0 3 469.629 5.134 1 0 JKAFHN COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2ccc(CCCN3CCCCC3)cc2)cc1 ZINC000027564481 563047101 /nfs/dbraw/zinc/04/71/01/563047101.db2.gz YWMGBZLHXVIJDF-UHFFFAOYSA-N 0 3 499.676 7.235 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)=C2c1cccc(OCCN2CCCC2)c1 ZINC000027655183 563049043 /nfs/dbraw/zinc/04/90/43/563049043.db2.gz JKCSJNBQYOHEJF-UHFFFAOYSA-N 0 3 455.598 6.300 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1cccc(OCCN2CCCC2)c1 ZINC000027656177 563049110 /nfs/dbraw/zinc/04/91/10/563049110.db2.gz PLIUCEMVAGBJSL-FQLXRVMXSA-N 0 3 457.614 6.257 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1cccc(OCCN2CCCC2)c1 ZINC000027656181 563049188 /nfs/dbraw/zinc/04/91/88/563049188.db2.gz PLIUCEMVAGBJSL-WDYNHAJCSA-N 0 3 457.614 6.257 1 0 JKAFHN Cc1ccc([C@H](c2ccccc2)N2CCN(CCCCNC(=O)/C=C/c3ccc(C)nc3)CC2)cc1 ZINC000027656765 563049230 /nfs/dbraw/zinc/04/92/30/563049230.db2.gz GOEXMGWYKDBGCL-PKEUNGKYSA-N 0 3 482.672 5.015 1 0 JKAFHN C/C(=C\c1ccc(C)nc1)C(=O)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027657383 563049314 /nfs/dbraw/zinc/04/93/14/563049314.db2.gz KUIDKXXFXOBQDL-WJTDDFOZSA-N 0 3 482.672 5.097 1 0 JKAFHN OC1(c2ccc(Cl)cc2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027708334 563049650 /nfs/dbraw/zinc/04/96/50/563049650.db2.gz XAFAXZAGGLMCOC-UHFFFAOYSA-N 0 3 456.964 6.130 1 0 JKAFHN C=C1N=C(C)C(C(=O)OCC(C)C)[C@H](C2=CC=CN(C(=O)OC(C)(C)C)C2)C1C(=O)OCC(C)C ZINC000027723641 563050375 /nfs/dbraw/zinc/05/03/75/563050375.db2.gz WEZQVLZZUQXUGK-COUQNMRISA-N 0 3 488.625 5.683 1 0 JKAFHN Fc1ccc([C@@H](OCCN2CCN(CCCc3ccccc3)CC2)c2cccc(F)c2)cc1 ZINC000027729930 563050664 /nfs/dbraw/zinc/05/06/64/563050664.db2.gz QSHQYEPLWKSOTM-MUUNZHRXSA-N 0 3 450.573 5.321 1 0 JKAFHN CCCCC(=O)O[C@H]1C(=O)N(CCN(C)C)c2ccc(Cl)cc2S[C@H]1c1ccc(OC)cc1 ZINC000027754190 563051335 /nfs/dbraw/zinc/05/13/35/563051335.db2.gz CJYJYLLYIVLLTE-RPWUZVMVSA-N 0 3 491.053 5.192 1 0 JKAFHN COc1ccc(OC)c2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027849866 563051848 /nfs/dbraw/zinc/05/18/48/563051848.db2.gz RQJFTXKVZDYPLZ-NBGIEHNGSA-N 0 3 477.432 5.163 1 0 JKAFHN COc1cccc2c1CC[C@H](N(C)Cc1ccccc1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027850687 563051907 /nfs/dbraw/zinc/05/19/07/563051907.db2.gz YEZVNPQPRRUVGH-LSYYVWMOSA-N 0 3 497.466 6.191 1 0 JKAFHN COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)CSc1ccc(Cl)c(Cl)c1 ZINC000027855533 563051949 /nfs/dbraw/zinc/05/19/49/563051949.db2.gz HEDSVXYMZUILBJ-URXFXBBRSA-N 0 3 479.473 5.704 1 0 JKAFHN COc1cc2c(cc1OC)[C@@](CCCN1CCN(c3ccccc3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027891724 563052930 /nfs/dbraw/zinc/05/29/30/563052930.db2.gz WACAOMLSBYWCOH-SSEXGKCCSA-N 0 3 490.619 5.262 1 0 JKAFHN O[C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4-c4ccco4)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000027894039 563053014 /nfs/dbraw/zinc/05/30/14/563053014.db2.gz GIRHPTYKUIOUEX-QVDUQQMDSA-N 0 3 464.565 5.127 1 0 JKAFHN COc1ccc(OCCCCN2CCC(C(=O)c3ccccc3)CC2)c([C@H]2SCCN2C(C)=O)c1 ZINC000028018650 563055179 /nfs/dbraw/zinc/05/51/79/563055179.db2.gz DRQJGGLIVMKLDO-MUUNZHRXSA-N 0 3 496.673 5.043 1 0 JKAFHN Clc1ccc([C@H]2C[C@@H](N3CCN(C/C=C/c4ccccc4)CC3)c3ccccc32)cc1Cl ZINC000028087233 563055529 /nfs/dbraw/zinc/05/55/29/563055529.db2.gz CQHFAVPNRLFXIP-KPCDDBDFSA-N 0 3 463.452 6.901 1 0 JKAFHN O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CN2CCCCC2)cc1 ZINC000028098535 563055956 /nfs/dbraw/zinc/05/59/56/563055956.db2.gz NSLIMXNKWQGFHB-UHFFFAOYSA-N 0 3 483.399 5.879 1 0 JKAFHN CCC(=O)N(c1ccccc1)C1(COC(=O)C(C)(C)C)CCN(CCc2cccs2)CC1 ZINC000028101490 563056053 /nfs/dbraw/zinc/05/60/53/563056053.db2.gz BCDQTSIFQQKWNR-UHFFFAOYSA-N 0 3 456.652 5.158 1 0 JKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1)c1ccc(N2CCN(C3CCCC3)CC2)cc1 ZINC000028134101 563057524 /nfs/dbraw/zinc/05/75/24/563057524.db2.gz XNGJGVJVIOZPEE-UHFFFAOYSA-N 0 3 498.648 6.275 1 0 JKAFHN CCOc1c(Br)cc(Br)cc1CNCCCNc1nc2ccccc2[nH]1 ZINC000028337760 563060124 /nfs/dbraw/zinc/06/01/24/563060124.db2.gz MOLAOAJXMAKTPM-UHFFFAOYSA-N 0 3 482.220 5.078 1 0 JKAFHN COc1ccc(Cl)c(O[C@@H](CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 ZINC000028351153 563061070 /nfs/dbraw/zinc/06/10/70/563061070.db2.gz ROFZYAIHNKKOTB-QHCPKHFHSA-N 0 3 458.002 5.122 1 0 JKAFHN CCCN1CCN(c2cc(-c3ccc(Sc4ccccc4OC)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028357935 563061550 /nfs/dbraw/zinc/06/15/50/563061550.db2.gz FDHIKTFGAVFLBW-UHFFFAOYSA-N 0 3 487.591 6.459 1 0 JKAFHN Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC[C@H]4C[C@H]43)cc2)cc1 ZINC000028377692 563062803 /nfs/dbraw/zinc/06/28/03/563062803.db2.gz ISNMOIVTZCAIGR-TZGRGIEFSA-N 0 3 461.583 5.538 1 0 JKAFHN CCNC(=O)c1ccc(C(c2ccc3c(c2)OCO3)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccsc2)cc1 ZINC000028383799 563063081 /nfs/dbraw/zinc/06/30/81/563063081.db2.gz QUKQPVATDBGMOC-PLQXJYEYSA-N 0 3 486.637 5.855 1 0 JKAFHN COCCNCc1ccc(-c2ccc(CN(Cc3cccnc3)C(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000028396768 563063834 /nfs/dbraw/zinc/06/38/34/563063834.db2.gz VBGTUOFTBKOZSM-QGOAFFKASA-N 0 3 491.635 5.727 1 0 JKAFHN CCCN(Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1ccc(Cl)cc1Cl)CC1CC1 ZINC000028461211 563064672 /nfs/dbraw/zinc/06/46/72/563064672.db2.gz DQWKTDIWRKSKCC-UHFFFAOYSA-N 0 3 495.376 7.226 1 0 JKAFHN CCCCN(CC)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028463402 563064870 /nfs/dbraw/zinc/06/48/70/563064870.db2.gz KFSCTYKMHWPHES-UHFFFAOYSA-N 0 3 456.556 6.844 1 0 JKAFHN Cc1ccc(NC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028476777 563066093 /nfs/dbraw/zinc/06/60/93/563066093.db2.gz BLKAFNSEWMLWRN-RUZDIDTESA-N 0 3 488.598 5.827 1 0 JKAFHN CC(C)(C)c1ccc([C@H](CNC(=O)Nc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028522228 563066544 /nfs/dbraw/zinc/06/65/44/563066544.db2.gz ZJTXGBBFIYXPJP-MHZLTWQESA-N 0 3 462.682 5.797 1 0 JKAFHN O=C(Nc1ccccc1NC(=O)c1ccc(Cl)o1)OCC1CCN(c2ccncc2)CC1 ZINC000028523359 563066767 /nfs/dbraw/zinc/06/67/67/563066767.db2.gz OLRALOWKTKNRNI-UHFFFAOYSA-N 0 3 454.914 5.045 1 0 JKAFHN O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cc2ccccc2o1 ZINC000028523202 563066780 /nfs/dbraw/zinc/06/67/80/563066780.db2.gz BBPOVMZPUSFZHL-IFMALSPDSA-N 0 3 455.352 5.449 1 0 JKAFHN O[C@H](CNCc1ccccc1OCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028523460 563066876 /nfs/dbraw/zinc/06/68/76/563066876.db2.gz REPLYXLKVPFGQG-OAQYLSRUSA-N 0 3 469.425 6.126 1 0 JKAFHN O=C(Nc1ccccc1NC(=O)c1ccc(OC(F)F)cc1)OCC1CCN(c2ccncc2)CC1 ZINC000028526290 563067924 /nfs/dbraw/zinc/06/79/24/563067924.db2.gz XLTDENXBQIRBGB-UHFFFAOYSA-N 0 3 496.514 5.400 1 0 JKAFHN COc1ccc(N2CCN(c3cccc(Cl)c3Cl)C2=O)cc1OCCN1CCCCC1 ZINC000028528167 563068185 /nfs/dbraw/zinc/06/81/85/563068185.db2.gz MQAVSMATDCNKPM-UHFFFAOYSA-N 0 3 464.393 5.313 1 0 JKAFHN COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1 ZINC000028528083 563068191 /nfs/dbraw/zinc/06/81/91/563068191.db2.gz YLNIWEXPAFDSQT-UHFFFAOYSA-N 0 3 477.527 5.334 1 0 JKAFHN Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)C3CCC(c4ccc(Cl)cc4)CC3)cc12 ZINC000028569615 563070483 /nfs/dbraw/zinc/07/04/83/563070483.db2.gz ZNWUBMACIGWLIN-UHFFFAOYSA-N 0 3 479.068 6.107 1 0 JKAFHN O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000028636851 563071882 /nfs/dbraw/zinc/07/18/82/563071882.db2.gz SLRJADSWYSEKOR-HHHXNRCGSA-N 0 3 457.614 5.197 1 0 JKAFHN CN1CCc2cc(Cl)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1 ZINC000028704236 563075135 /nfs/dbraw/zinc/07/51/35/563075135.db2.gz CUDIFALFXGTJEV-UHFFFAOYSA-N 0 3 461.414 5.492 1 0 JKAFHN CC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc(Oc4cc(Cl)cc(Cl)c4)c3)CC2)c1 ZINC000028710582 563076193 /nfs/dbraw/zinc/07/61/93/563076193.db2.gz WDQSMVXIRWFSBZ-UHFFFAOYSA-N 0 3 497.466 7.760 1 0 JKAFHN CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccc(Cl)c(Cl)c4)cc3)CC2)c1 ZINC000028710588 563076204 /nfs/dbraw/zinc/07/62/04/563076204.db2.gz TVUCFWYHYFWZFI-UHFFFAOYSA-N 0 3 497.466 7.760 1 0 JKAFHN CCN1CCC[C@H](Cn2c(=O)c3ccc(-c4ccc(Cl)cc4)cc3nc2-c2ccccc2OC)C1 ZINC000028711903 563076679 /nfs/dbraw/zinc/07/66/79/563076679.db2.gz MGGNRQPTQAHBTN-FQEVSTJZSA-N 0 3 488.031 6.124 1 0 JKAFHN CCN1CCC[C@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2C)C1 ZINC000028711900 563076694 /nfs/dbraw/zinc/07/66/94/563076694.db2.gz GXCPGQHYWOEKEE-NRFANRHFSA-N 0 3 472.032 6.424 1 0 JKAFHN CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCN(C[C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000028764158 563078527 /nfs/dbraw/zinc/07/85/27/563078527.db2.gz QXAWSSWYWHHUAE-HVIPQOSHSA-N 0 3 495.711 5.681 1 0 JKAFHN CCCCN[C@H](c1ccc(Cl)cc1Cl)[C@@H](NCCCC)c1ccc(Cl)cc1Cl ZINC000028765377 563078576 /nfs/dbraw/zinc/07/85/76/563078576.db2.gz NEQZGYQZBDEPEM-SZPZYZBQSA-N 0 3 462.292 7.862 1 0 JKAFHN CN1CCN(CCCOc2ccc(C3O[C@H](c4ccccc4)[C@@H](c4ccccc4)O3)cc2)CC1 ZINC000028816158 563079515 /nfs/dbraw/zinc/07/95/15/563079515.db2.gz FRUGMRIQPAXCAQ-VSGBNLITSA-N 0 3 458.602 5.231 1 0 JKAFHN O=C(N1CCC[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000028820036 563080475 /nfs/dbraw/zinc/08/04/75/563080475.db2.gz KYUIGEMGEGFVHQ-KXAIUKJUSA-N 0 3 484.128 5.840 1 0 JKAFHN CCN1CCN(CCc2ccc(Nc3ncc(Cl)c(-c4ccc5cc[nH]c5c4)n3)cc2)CC1 ZINC000028821342 563080680 /nfs/dbraw/zinc/08/06/80/563080680.db2.gz LSPQVYOMPRTETO-UHFFFAOYSA-N 0 3 461.013 5.202 1 0 JKAFHN Cc1ccc([C@H](N)CC(C)C)c(N2CCN(C(=O)[C@@H](C)Cc3ccc(Cl)cc3Cl)CC2)n1 ZINC000028826799 563082508 /nfs/dbraw/zinc/08/25/08/563082508.db2.gz BONGGUKXPVMFJN-GAJHUEQPSA-N 0 3 477.480 5.270 1 0 JKAFHN CSc1ccc([C@@H]2CN(C)Cc3cccc(Oc4ccnc(CN5CCCCC5)c4)c32)cc1 ZINC000028827070 563082672 /nfs/dbraw/zinc/08/26/72/563082672.db2.gz AHDIGRGVUXUPBL-SANMLTNESA-N 0 3 459.659 6.159 1 0 JKAFHN CSc1ccc([C@H]2CN(C)Cc3cc(Oc4ccnc(CN5CCCCC5)c4)ccc32)cc1 ZINC000028827069 563082693 /nfs/dbraw/zinc/08/26/93/563082693.db2.gz JIAHUHYIBFOBFK-MUUNZHRXSA-N 0 3 459.659 6.159 1 0 JKAFHN CSc1ccc([C@@H]2CN(C)Cc3cc(Oc4cccc(CN5CCCCC5)n4)ccc32)cc1 ZINC000028827062 563082761 /nfs/dbraw/zinc/08/27/61/563082761.db2.gz UGDRNJYUOIZTTP-MHZLTWQESA-N 0 3 459.659 6.159 1 0 JKAFHN CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000028827045 563082776 /nfs/dbraw/zinc/08/27/76/563082776.db2.gz FIZLAMUFFLKTOQ-YLORPAJWSA-N 0 3 464.502 5.752 1 0 JKAFHN CSc1ccc([C@H]2CN(C)Cc3cc(Oc4nc(CN5CCCCC5)cs4)ccc32)cc1 ZINC000028827089 563082884 /nfs/dbraw/zinc/08/28/84/563082884.db2.gz ISCCKNOQYHJXGM-RUZDIDTESA-N 0 3 465.688 6.221 1 0 JKAFHN CSc1ccc([C@H]2CN(C)Cc3cc(Oc4ccc(CN5CCCCC5)cn4)ccc32)cc1 ZINC000028827083 563082914 /nfs/dbraw/zinc/08/29/14/563082914.db2.gz UCIGGFFPBMFKPO-HHHXNRCGSA-N 0 3 459.659 6.159 1 0 JKAFHN CSc1ccc([C@H]2CN(C)Cc3cc(Oc4ccc(CN5CCOCC5)cn4)ccc32)cc1 ZINC000028827085 563082919 /nfs/dbraw/zinc/08/29/19/563082919.db2.gz OBQGUQBIJPHQCO-AREMUKBSSA-N 0 3 461.631 5.005 1 0 JKAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(CSC)c3=O)CC2)C(C)C)c1 ZINC000028874758 563084284 /nfs/dbraw/zinc/08/42/84/563084284.db2.gz YVFIDBHSTMIDIS-SANMLTNESA-N 0 3 497.705 5.571 1 0 JKAFHN CCOCn1c2ccccc2n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874668 563084317 /nfs/dbraw/zinc/08/43/17/563084317.db2.gz HYIYVZGBQLFOJY-MHZLTWQESA-N 0 3 495.664 5.245 1 0 JKAFHN Fc1ccccc1-c1nc(COc2ccc3c(c2)[C@H](N2CCN(C4CCCC4)CC2)CC3)no1 ZINC000028880889 563084744 /nfs/dbraw/zinc/08/47/44/563084744.db2.gz JZTHVDIHEMBRBU-RUZDIDTESA-N 0 3 462.569 5.002 1 0 JKAFHN Cc1ccc2c(cc(Cl)cc2OCCN2CCC(Cc3ccc4c(c3F)NC(=O)CO4)CC2)n1 ZINC000028887272 563085036 /nfs/dbraw/zinc/08/50/36/563085036.db2.gz CDIJUVQEFYLOLF-UHFFFAOYSA-N 0 3 483.971 5.000 1 0 JKAFHN COc1ccc2nccc([C@H]3CN(C[C@H]4CCCN(Cc5cc6ccccc6[nH]5)C4)C(=O)O3)c2c1 ZINC000028892403 563085205 /nfs/dbraw/zinc/08/52/05/563085205.db2.gz OBRNQODSNCZSMH-UZTOHYMASA-N 0 3 470.573 5.130 1 0 JKAFHN CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000028893066 563085265 /nfs/dbraw/zinc/08/52/65/563085265.db2.gz UWWLHNUJLKTVOD-QFIPXVFZSA-N 0 3 451.413 5.774 1 0 JKAFHN CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000028893070 563085290 /nfs/dbraw/zinc/08/52/90/563085290.db2.gz UWWLHNUJLKTVOD-JOCHJYFZSA-N 0 3 451.413 5.774 1 0 JKAFHN COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5cc6ccccc6s5)CC4)C(=O)O3)c2c1 ZINC000028893399 563085427 /nfs/dbraw/zinc/08/54/27/563085427.db2.gz OMCPFDYSAAARCE-VWLOTQADSA-N 0 3 473.598 5.616 1 0 JKAFHN COc1ccc(Br)c(CN[C@H]2CCC[C@H](Nc3cc(C)c4ccc(OC)cc4n3)C2)c1 ZINC000028951093 563087060 /nfs/dbraw/zinc/08/70/60/563087060.db2.gz VJSXNOMGSYDDRP-OALUTQOASA-N 0 3 484.438 5.836 1 0 JKAFHN Clc1ccc([C@@H](c2ccccc2)c2c(OCCN3CCCCC3)ccc3ccccc32)cc1 ZINC000028955520 563088258 /nfs/dbraw/zinc/08/82/58/563088258.db2.gz GCHOVNSDTAIRRF-GDLZYMKVSA-N 0 3 456.029 7.538 1 0 JKAFHN Cc1cc(N)nc(C)c1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F ZINC000028956127 563088375 /nfs/dbraw/zinc/08/83/75/563088375.db2.gz FBBLKDUPIRTTHY-UHFFFAOYSA-N 0 3 476.930 5.136 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2cccc(Cl)c2)n1 ZINC000028963686 563089196 /nfs/dbraw/zinc/08/91/96/563089196.db2.gz WOWVVRMVWVSWPY-UHFFFAOYSA-N 0 3 486.982 5.925 1 0 JKAFHN Cc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn43)n2)cc1 ZINC000028963707 563089198 /nfs/dbraw/zinc/08/91/98/563089198.db2.gz NEBRXNXVUOFFFB-UHFFFAOYSA-N 0 3 466.564 5.580 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2ccc(F)cc2)n1 ZINC000028963696 563089223 /nfs/dbraw/zinc/08/92/23/563089223.db2.gz LGOYOPVNRQTDRF-UHFFFAOYSA-N 0 3 470.527 5.410 1 0 JKAFHN CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCC[C@@H](O)C2)c2ccccc21 ZINC000029037840 563090597 /nfs/dbraw/zinc/09/05/97/563090597.db2.gz LATWYLCTZRFXDK-RUZDIDTESA-N 0 3 489.704 6.289 1 0 JKAFHN Fc1ccc(CSc2nc3cc(F)c(N4CCN(CC5CCCCCCC5)CC4)cc3[nH]2)cc1 ZINC000029048612 563092679 /nfs/dbraw/zinc/09/26/79/563092679.db2.gz GJPKKBMGUAKZRZ-UHFFFAOYSA-N 0 3 484.660 6.616 1 0 JKAFHN CN(C)c1ccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)[N-]C3=O)cc1 ZINC000029048749 563092695 /nfs/dbraw/zinc/09/26/95/563092695.db2.gz GLWALUUSYRDZJE-USHMODERSA-N 0 3 495.627 5.205 1 0 JKAFHN O=C1[N-]C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3cccc(Cl)c3)ccc21 ZINC000029049000 563092813 /nfs/dbraw/zinc/09/28/13/563092813.db2.gz ZSIWPTQNIUFNCS-ONUIUJJFSA-N 0 3 487.003 5.793 1 0 JKAFHN CC[C@]1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)c2cc(Cl)cc(Cl)c2NC1=O ZINC000029055151 563093475 /nfs/dbraw/zinc/09/34/75/563093475.db2.gz NOWFIMHNXPZVSK-DEOSSOPVSA-N 0 3 480.867 6.239 1 0 JKAFHN CC[C@@]1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)c2cc(Cl)cc(Cl)c2NC1=O ZINC000029055155 563093504 /nfs/dbraw/zinc/09/35/04/563093504.db2.gz NOWFIMHNXPZVSK-XMMPIXPASA-N 0 3 480.867 6.239 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000029061732 563093973 /nfs/dbraw/zinc/09/39/73/563093973.db2.gz JRAUGJQOFHLBMH-UHFFFAOYSA-N 0 3 467.569 5.105 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccnc4ccccc43)cc1)CC2 ZINC000029064193 563094073 /nfs/dbraw/zinc/09/40/73/563094073.db2.gz IXNDLQJURAGSQH-UHFFFAOYSA-N 0 3 467.569 5.105 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3Br)cc1)CC2 ZINC000029064036 563094096 /nfs/dbraw/zinc/09/40/96/563094096.db2.gz IOPDQFLTYUGXTO-UHFFFAOYSA-N 0 3 495.417 5.319 1 0 JKAFHN CC(C)(C)Cn1c(N)nc2ccc(-c3nc(-c4c(F)cccc4F)[nH]c3-c3ccccc3)cc21 ZINC000029130877 563097069 /nfs/dbraw/zinc/09/70/69/563097069.db2.gz YPPFJYHTYBQSED-UHFFFAOYSA-N 0 3 457.528 6.667 1 0 JKAFHN COc1c2ccccc2c(OC)c(C(F)(F)F)c1CNCCNc1ccnc2cc(Cl)ccc21 ZINC000029134777 563098008 /nfs/dbraw/zinc/09/80/08/563098008.db2.gz YCKMUDRIHIRUGN-UHFFFAOYSA-N 0 3 489.925 6.279 1 0 JKAFHN FC(F)(F)c1cc(Nc2nc3ccccc3c(NCCN3CCCC3)n2)cc(C(F)(F)F)c1 ZINC000029205099 563098274 /nfs/dbraw/zinc/09/82/74/563098274.db2.gz UGLNDFMLMRPXMF-UHFFFAOYSA-N 0 3 469.433 5.919 1 0 JKAFHN CCN1CCC[C@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3c(Cl)cc(Cl)cc23)C1 ZINC000029204541 563098311 /nfs/dbraw/zinc/09/83/11/563098311.db2.gz OTPHMFXLNJFYSM-AWEZNQCLSA-N 0 3 485.246 6.883 1 0 JKAFHN O=C1NCN(c2ccccc2F)C12CCN(CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029481176 563105321 /nfs/dbraw/zinc/10/53/21/563105321.db2.gz HTQAUFWKUJPHCU-UHFFFAOYSA-N 0 3 494.561 5.061 1 0 JKAFHN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NCCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000029484845 563105498 /nfs/dbraw/zinc/10/54/98/563105498.db2.gz VEGNKKKSMRIUEO-GDLZYMKVSA-N 0 3 486.704 6.695 1 0 JKAFHN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NCCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000029484848 563105520 /nfs/dbraw/zinc/10/55/20/563105520.db2.gz VEGNKKKSMRIUEO-LJAQVGFWSA-N 0 3 486.704 6.695 1 0 JKAFHN CCOc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029559913 563106942 /nfs/dbraw/zinc/10/69/42/563106942.db2.gz LQDTUXYUHTZSFR-UHFFFAOYSA-N 0 3 472.608 5.741 1 0 JKAFHN CN(c1nc2ccccc2n1Cc1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1 ZINC000029560623 563107032 /nfs/dbraw/zinc/10/70/32/563107032.db2.gz JHGGHMCZFWSHFU-UHFFFAOYSA-N 0 3 459.037 5.881 1 0 JKAFHN CSc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029564731 563107217 /nfs/dbraw/zinc/10/72/17/563107217.db2.gz UJWAKDKCYAQABW-UHFFFAOYSA-N 0 3 474.649 6.065 1 0 JKAFHN CC(C)Cc1[nH]c2c(c1-c1ccccc1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5 ZINC000029570858 563107741 /nfs/dbraw/zinc/10/77/41/563107741.db2.gz IDGCYLAENIUJAG-DZVDWBIPSA-N 0 3 496.651 5.285 1 0 JKAFHN COc1cccc(-c2c(C)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)c1 ZINC000033972526 563111400 /nfs/dbraw/zinc/11/14/00/563111400.db2.gz UONWVOBZHMOCFU-UHFFFAOYSA-N 0 3 470.613 6.244 1 0 JKAFHN COc1ccc2c(c1)c(C)c(-c1ccc(O)cc1)n2Cc1ccc(OCCN2CCCCC2)cc1 ZINC000033972525 563111432 /nfs/dbraw/zinc/11/14/32/563111432.db2.gz CKXCJRUGPCPEMZ-UHFFFAOYSA-N 0 3 470.613 6.244 1 0 JKAFHN Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCCC3)cc2)c1-c1ccc([O-])c(F)c1 ZINC000034015066 563111764 /nfs/dbraw/zinc/11/17/64/563111764.db2.gz NJPDBAAROZVZIV-UHFFFAOYSA-N 0 3 488.603 6.470 1 0 JKAFHN C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c([C@H](CN(C)C)c3ccccc3)nnc21 ZINC000034187048 563112412 /nfs/dbraw/zinc/11/24/12/563112412.db2.gz SWOIADWBLRUHCX-WZONZLPQSA-N 0 3 455.993 5.526 1 0 JKAFHN C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c([C@H](CN(C)C)c3ccccc3)nnc21 ZINC000034187049 563112433 /nfs/dbraw/zinc/11/24/33/563112433.db2.gz SWOIADWBLRUHCX-FDDCHVKYSA-N 0 3 455.993 5.526 1 0 JKAFHN CC(=O)Nc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000034289872 563112916 /nfs/dbraw/zinc/11/29/16/563112916.db2.gz GILWJCDRMYAEPK-UHFFFAOYSA-N 0 3 494.582 5.340 1 0 JKAFHN CSc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000034289878 563113031 /nfs/dbraw/zinc/11/30/31/563113031.db2.gz QOPJJFSLKNGBMA-UHFFFAOYSA-N 0 3 483.624 6.104 1 0 JKAFHN C[C@@H]1CN(c2cccc3cc(F)ccc32)CCN1CC[C@H]1OCCc2c(Cl)c(C(N)=O)sc21 ZINC000034313077 563113105 /nfs/dbraw/zinc/11/31/05/563113105.db2.gz CAALEIZWPZRHJM-QVKFZJNVSA-N 0 3 488.028 5.007 1 0 JKAFHN Cc1c2cc(O)ccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1-c1ccc(Cl)cc1 ZINC000034357803 563113287 /nfs/dbraw/zinc/11/32/87/563113287.db2.gz XNGTUCXVYKSSHF-UHFFFAOYSA-N 0 3 475.032 6.889 1 0 JKAFHN Oc1ccc(-c2c(Cl)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000034365765 563113399 /nfs/dbraw/zinc/11/33/99/563113399.db2.gz LYDTYRQEQHFCTJ-UHFFFAOYSA-N 0 3 477.004 6.286 1 0 JKAFHN CCCc1cc(NC2CCC2)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000034376920 563113409 /nfs/dbraw/zinc/11/34/09/563113409.db2.gz UKBMUBRWLVXPNM-NTEUORMPSA-N 0 3 453.508 6.822 1 0 JKAFHN CCOc1ccccc1N1CCN(CCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1 ZINC000034801010 563115418 /nfs/dbraw/zinc/11/54/18/563115418.db2.gz FSLSXBDFAIWADY-UHFFFAOYSA-N 0 3 496.655 5.373 1 0 JKAFHN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 ZINC000034804130 563116393 /nfs/dbraw/zinc/11/63/93/563116393.db2.gz BHCROBUDGYXOFC-NRFANRHFSA-N 0 3 487.488 5.157 1 0 JKAFHN Cc1c(NC2CCN(Cc3ccccc3)CC2)ccc2c(=O)n(-c3cccc(Cl)c3)c3nncn3c12 ZINC000034948572 563117633 /nfs/dbraw/zinc/11/76/33/563117633.db2.gz LZSHZAIOGUOIQG-UHFFFAOYSA-N 0 3 499.018 5.072 1 0 JKAFHN Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)CCc2ccccc2)cc1C ZINC000035873088 563120969 /nfs/dbraw/zinc/12/09/69/563120969.db2.gz CKKMHIDCPGJNCQ-UHFFFAOYSA-N 0 3 485.628 5.493 1 0 JKAFHN O=C(Nc1ccc(F)cc1)O[C@@H](CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000035974598 563121640 /nfs/dbraw/zinc/12/16/40/563121640.db2.gz MHBIIYXHZOETAS-VWLOTQADSA-N 0 3 482.983 6.143 1 0 JKAFHN CCN(CC)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc([C@@H](C)c2ccccc2)n1 ZINC000036161080 563123051 /nfs/dbraw/zinc/12/30/51/563123051.db2.gz JNCUESRTBKMNOB-NRFANRHFSA-N 0 3 479.603 6.591 1 0 JKAFHN Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000036216440 563124313 /nfs/dbraw/zinc/12/43/13/563124313.db2.gz AYHUGSDYEPBTFK-UHFFFAOYSA-N 0 3 459.446 6.320 1 0 JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2cccc3ccccc32)CC1 ZINC000036285723 563125256 /nfs/dbraw/zinc/12/52/56/563125256.db2.gz SPGJQQFMECWLOW-DEOSSOPVSA-N 0 3 499.577 5.632 1 0 JKAFHN COc1ccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1 ZINC000036285419 563125259 /nfs/dbraw/zinc/12/52/59/563125259.db2.gz XLQHHMIAYGQQKR-QHCPKHFHSA-N 0 3 477.571 5.041 1 0 JKAFHN COc1ccccc1CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H](N)CC(C)C)CC1 ZINC000036285577 563125270 /nfs/dbraw/zinc/12/52/70/563125270.db2.gz JZEJKYZZZLDVRV-QFIPXVFZSA-N 0 3 477.571 5.041 1 0 JKAFHN COc1ccc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1 ZINC000036285907 563125366 /nfs/dbraw/zinc/12/53/66/563125366.db2.gz ONRCMIPGIAKGAP-CYFREDJKSA-N 0 3 491.598 5.287 1 0 JKAFHN CN(C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(Cl)cc5Cl)ccc4c3=O)cn2)C1 ZINC000036351530 563126853 /nfs/dbraw/zinc/12/68/53/563126853.db2.gz DBDZPSIDZCVRCS-LJQANCHMSA-N 0 3 480.395 5.969 1 0 JKAFHN CN(C)[C@@H]1CCN(c2ccc(-c3cn(C)c4cc(-c5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1 ZINC000036351529 563126891 /nfs/dbraw/zinc/12/68/91/563126891.db2.gz SIBZEQKWAZXRSW-JOCHJYFZSA-N 0 3 492.545 5.427 1 0 JKAFHN CN(C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5cnccc5C(F)(F)F)ccc4c3=O)cn2)C1 ZINC000036351545 563126977 /nfs/dbraw/zinc/12/69/77/563126977.db2.gz RYGNGVJAAJRDMC-GOSISDBHSA-N 0 3 480.490 5.076 1 0 JKAFHN CCCc1cc(N(CC)CC)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000036351931 563127191 /nfs/dbraw/zinc/12/71/91/563127191.db2.gz FYXAYDYUZPOYEP-XNTDXEJSSA-N 0 3 455.524 6.704 1 0 JKAFHN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)OC[C@@H](CN1CCCC1)O2 ZINC000038149704 563132105 /nfs/dbraw/zinc/13/21/05/563132105.db2.gz LXZGGZWBBGPVIA-LJQANCHMSA-N 0 3 479.989 5.003 1 0 JKAFHN CN(C)Cc1cc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2s1 ZINC000038149690 563132122 /nfs/dbraw/zinc/13/21/22/563132122.db2.gz XJMIODNDCXPYKT-UHFFFAOYSA-N 0 3 452.004 6.044 1 0 JKAFHN O=C(Nc1ccccc1OC[C@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)C1CCC1 ZINC000038473704 563134757 /nfs/dbraw/zinc/13/47/57/563134757.db2.gz FAPBWZUNGKHHJO-GOSISDBHSA-N 0 3 493.431 5.015 1 0 JKAFHN c1ccc(COc2ccc(C[C@@H](c3ccccc3)N3CCN(C4CCCCC4)CC3)cc2)cc1 ZINC000039233862 563136514 /nfs/dbraw/zinc/13/65/14/563136514.db2.gz KDDGMZCMBIXENA-HKBQPEDESA-N 0 3 454.658 6.500 1 0 JKAFHN Fc1ccc(-c2nc(C3CCN(Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)c[nH]2)cc1 ZINC000040380293 563137558 /nfs/dbraw/zinc/13/75/58/563137558.db2.gz SXANPFLIRXLTLG-UHFFFAOYSA-N 0 3 468.498 6.405 1 0 JKAFHN Fc1ccc(-c2c[nH]c(C3CCN(Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)n2)cc1 ZINC000040380681 563137663 /nfs/dbraw/zinc/13/76/63/563137663.db2.gz QUNKIBBCFRVCCE-UHFFFAOYSA-N 0 3 468.498 6.405 1 0 JKAFHN Cc1noc(C)c1-c1ccc(N2CCc3c2nccc3-n2ccc(-c3nccs3)n2)c(C)c1 ZINC000040391251 563137764 /nfs/dbraw/zinc/13/77/64/563137764.db2.gz GWQZJLMAYGIWEE-UHFFFAOYSA-N 0 3 454.559 5.665 1 0 JKAFHN COC1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040394339 563138711 /nfs/dbraw/zinc/13/87/11/563138711.db2.gz ZCNMZJMGPQGLKK-OIFTYBNWSA-N 0 3 452.425 7.252 1 0 JKAFHN CCc1ccccc1C(=O)N([C@H](Cc1ccc(Cl)cc1)CN(C)C)C1CCC2(CC1)OCCO2 ZINC000040395615 563139285 /nfs/dbraw/zinc/13/92/85/563139285.db2.gz DJERTHKDACYGDN-RUZDIDTESA-N 0 3 485.068 5.203 1 0 JKAFHN NC(=O)C1(c2ccc(F)cc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040395697 563139294 /nfs/dbraw/zinc/13/92/94/563139294.db2.gz XOZUPJZIFKSWPZ-NNJHRLFQSA-N 0 3 483.414 6.272 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc1)CC2 ZINC000040405981 563140007 /nfs/dbraw/zinc/14/00/07/563140007.db2.gz HPERWTYTDIGYGD-KPKJPENVSA-N 0 3 477.004 5.610 1 0 JKAFHN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCCN1CCCC1 ZINC000040422824 563141971 /nfs/dbraw/zinc/14/19/71/563141971.db2.gz GDFGAZNVFAOQJA-JOCHJYFZSA-N 0 3 482.637 6.261 1 0 JKAFHN Cc1cc(NC(=O)c2ccc3c(c2)CCN(C(C)C)C3)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040423309 563142335 /nfs/dbraw/zinc/14/23/35/563142335.db2.gz HSVKJECORUHQMG-UHFFFAOYSA-N 0 3 495.067 5.947 1 0 JKAFHN Cc1cc(NC(=O)c2ccc(CN3CCCCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040423442 563142370 /nfs/dbraw/zinc/14/23/70/563142370.db2.gz LUFGUMHRRIOLNQ-UHFFFAOYSA-N 0 3 495.067 6.166 1 0 JKAFHN CN(C)C[C@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1ccc(Cl)cc1 ZINC000040466880 563144305 /nfs/dbraw/zinc/14/43/05/563144305.db2.gz ZZAVYOKAKZMNHB-QFIPXVFZSA-N 0 3 476.411 5.619 1 0 JKAFHN CC(C)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040505056 563144791 /nfs/dbraw/zinc/14/47/91/563144791.db2.gz RZXGHGDGAJWVMH-UHFFFAOYSA-N 0 3 479.611 6.505 1 0 JKAFHN COc1cccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000040504027 563144814 /nfs/dbraw/zinc/14/48/14/563144814.db2.gz AJZSCUCUXGPZGC-UHFFFAOYSA-N 0 3 467.556 5.390 1 0 JKAFHN Oc1ccccc1OCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040504486 563144829 /nfs/dbraw/zinc/14/48/29/563144829.db2.gz VIZVALZIDNEELJ-UHFFFAOYSA-N 0 3 453.529 5.087 1 0 JKAFHN COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1 ZINC000040565325 563145485 /nfs/dbraw/zinc/14/54/85/563145485.db2.gz KGKKCFGQNUZEKE-UHFFFAOYSA-N 0 3 475.416 5.543 1 0 JKAFHN CN(C)C[C@@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccc(Cl)cc1)=NC2)c1ccccc1 ZINC000040631822 563147015 /nfs/dbraw/zinc/14/70/15/563147015.db2.gz GWYDEOABFYTUNS-JOCHJYFZSA-N 0 3 476.411 5.619 1 0 JKAFHN OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000040632221 563147120 /nfs/dbraw/zinc/14/71/20/563147120.db2.gz WUDDENHOGSEFMQ-UHFFFAOYSA-N 0 3 455.520 5.521 1 0 JKAFHN O[C@H](CCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040641033 563147321 /nfs/dbraw/zinc/14/73/21/563147321.db2.gz GYJCRHKZXOCKLS-HHHXNRCGSA-N 0 3 451.557 5.427 1 0 JKAFHN COc1ccc(N2CC[C@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1 ZINC000040822564 563148755 /nfs/dbraw/zinc/14/87/55/563148755.db2.gz GHDIPGSUJPFGKQ-HXUWFJFHSA-N 0 3 477.432 5.633 1 0 JKAFHN COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN(C)Cc1ccccc1 ZINC000040822558 563148779 /nfs/dbraw/zinc/14/87/79/563148779.db2.gz PABKXBWIZMLLJW-UHFFFAOYSA-N 0 3 466.581 6.125 1 0 JKAFHN CCN(C(=O)Oc1ccc(F)cc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040863472 563150629 /nfs/dbraw/zinc/15/06/29/563150629.db2.gz ZEONQRRAUWWTEG-ZBLYBZFDSA-N 0 3 495.639 5.547 1 0 JKAFHN Cc1ccnc(C)c1C(=O)N1CCC(N2C[C@H]3CC[C@@H](C2)N3C(c2ccccc2)c2ccccc2)CC1 ZINC000040864227 563150748 /nfs/dbraw/zinc/15/07/48/563150748.db2.gz WRSUHJNBESROTA-ISILISOKSA-N 0 3 494.683 5.241 1 0 JKAFHN Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2ccccc2)c[nH]1 ZINC000040873649 563151800 /nfs/dbraw/zinc/15/18/00/563151800.db2.gz PYBAZHGZNAJHSN-UHFFFAOYSA-N 0 3 480.616 5.128 1 0 JKAFHN CN(C)C[C@@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1)c1ccccc1 ZINC000040894083 563153596 /nfs/dbraw/zinc/15/35/96/563153596.db2.gz ORXJSAVDNFYTHE-GOSISDBHSA-N 0 3 469.408 5.087 1 0 JKAFHN CC(C)NC(=O)c1ccc(F)c2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040943554 563159152 /nfs/dbraw/zinc/15/91/52/563159152.db2.gz VLMQEJQNJJVDFP-OAQYLSRUSA-N 0 3 481.587 5.375 1 0 in-vitro JKAFHN COc1ccc2nccc(N[C@H](c3ccc(CN4CCOCC4)cc3)c3cccc(Cl)c3)c2c1 ZINC000040955361 563160743 /nfs/dbraw/zinc/16/07/43/563160743.db2.gz ALEMYDUCQFOTCW-MUUNZHRXSA-N 0 3 474.004 5.931 1 0 JKAFHN C[C@@H](N[C@@H]1C[C@H](c2cccc(OCF)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 ZINC000040972617 563161381 /nfs/dbraw/zinc/16/13/81/563161381.db2.gz VIZNNWKKQKFIOX-UOKFIYJESA-N 0 3 472.482 6.209 1 0 JKAFHN CC(C)(O)c1ccc2c(c1)NC(=O)c1ccc(Nc3ccnc(Nc4ccnc(Cl)c4)c3)cc1N2 ZINC000043016813 563164578 /nfs/dbraw/zinc/16/45/78/563164578.db2.gz VMLJITCVAJIZCF-UHFFFAOYSA-N 0 3 486.963 6.154 1 0 JKAFHN CC(C)(C)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043017118 563164663 /nfs/dbraw/zinc/16/46/63/563164663.db2.gz QPMQVZBFSSEPMX-UHFFFAOYSA-N 0 3 476.879 7.965 1 0 JKAFHN FCC(CF)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043020844 563164947 /nfs/dbraw/zinc/16/49/47/563164947.db2.gz BTXIRBDWKHJOBL-UHFFFAOYSA-N 0 3 498.832 7.690 1 0 JKAFHN C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)C1CCCCC1 ZINC000043067831 563166146 /nfs/dbraw/zinc/16/61/46/563166146.db2.gz QUZHLTJLNYIHQV-OAQYLSRUSA-N 0 3 462.634 5.569 1 0 JKAFHN O=C(Cc1ccccc1-c1ccccc1)N1CCCN(Cc2ccc3cc(F)ccc3c2)CC1 ZINC000043079693 563166971 /nfs/dbraw/zinc/16/69/71/563166971.db2.gz RMESOJGVBRJQCE-UHFFFAOYSA-N 0 3 452.573 5.923 1 0 JKAFHN Cc1nc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)cc(N(C)C)n1 ZINC000043120483 563167472 /nfs/dbraw/zinc/16/74/72/563167472.db2.gz QGKKHCKOVYCYQP-YCRPNKLZSA-N 0 3 473.846 6.094 1 0 JKAFHN Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nc(CNC3CCCC3)n2C2CCCC2)cc1 ZINC000043122551 563167699 /nfs/dbraw/zinc/16/76/99/563167699.db2.gz RIOWPNZSYSOQRY-UHFFFAOYSA-N 0 3 488.890 8.325 1 0 JKAFHN CCc1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045167068 563172896 /nfs/dbraw/zinc/17/28/96/563172896.db2.gz NUQLPSRKPJYMHU-HXUWFJFHSA-N 0 3 472.576 6.248 1 0 JKAFHN Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNCc5ccc(S(C)(=O)=O)cc5)c4)s3)nc21 ZINC000045167137 563173030 /nfs/dbraw/zinc/17/30/30/563173030.db2.gz XJOAXBHXADEWHO-UHFFFAOYSA-N 0 3 487.650 5.960 1 0 JKAFHN Cc1cccc2nc(-c3ccc(-c4cccc(CNCc5ccc(S(C)(=O)=O)cc5)c4)s3)[nH]c21 ZINC000045167137 563173031 /nfs/dbraw/zinc/17/30/31/563173031.db2.gz XJOAXBHXADEWHO-UHFFFAOYSA-N 0 3 487.650 5.960 1 0 JKAFHN CN(C)CCN(C)Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Cl)cc2F)o1 ZINC000045167558 563173322 /nfs/dbraw/zinc/17/33/22/563173322.db2.gz KCIIFMFCRCWWJN-UHFFFAOYSA-N 0 3 452.961 6.024 1 0 JKAFHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(OC(C)C)c4)s3)CC2)cc1 ZINC000045187400 563174480 /nfs/dbraw/zinc/17/44/80/563174480.db2.gz RIOQMBGCUHRPCJ-UHFFFAOYSA-N 0 3 491.657 5.555 1 0 JKAFHN C[C@@H]1CN(c2ccc3occ(C(=O)Nc4ccc(-c5ccncc5)c(Cl)c4)c3c2)C[C@@H](C)N1C ZINC000045187765 563174554 /nfs/dbraw/zinc/17/45/54/563174554.db2.gz ASTBAAJNISQQSR-QZTJIDSGSA-N 0 3 474.992 5.929 1 0 JKAFHN CN1CCN(Cc2ccc(-c3ccc4c(c3)nccc4Nc3ccc(Oc4ccccn4)cc3)o2)CC1 ZINC000045188478 563174846 /nfs/dbraw/zinc/17/48/46/563174846.db2.gz DHNQWIDXEDVBLY-UHFFFAOYSA-N 0 3 491.595 6.173 1 0 JKAFHN COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](c2ccc(F)cc2)N2CCC2)CC1 ZINC000045188866 563175076 /nfs/dbraw/zinc/17/50/76/563175076.db2.gz GPRJURLPMBOELP-LJAQVGFWSA-N 0 3 475.652 5.375 1 0 JKAFHN COC(=O)c1cccc(CNCc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045189880 563175423 /nfs/dbraw/zinc/17/54/23/563175423.db2.gz KLBNKXYQYFODJR-UHFFFAOYSA-N 0 3 453.567 6.035 1 0 JKAFHN COc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)cc2Cl)ccc1OCCN1CCCC1 ZINC000045190087 563175437 /nfs/dbraw/zinc/17/54/37/563175437.db2.gz GHADTMCLHZOSSI-UHFFFAOYSA-N 0 3 491.440 6.457 1 0 JKAFHN Fc1ccc2nc(-c3cccc(-c4ccc(CN5CCN(c6cnccn6)CC5)cc4)c3)[nH]c2c1 ZINC000045192199 563176120 /nfs/dbraw/zinc/17/61/20/563176120.db2.gz SQPIDJWXTJSHIG-UHFFFAOYSA-N 0 3 464.548 5.148 1 0 JKAFHN COc1cc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)s2)ccc1OCCN1CCCC1 ZINC000045192256 563176190 /nfs/dbraw/zinc/17/61/90/563176190.db2.gz PFZFDKPJSUQVHJ-UHFFFAOYSA-N 0 3 464.587 5.353 1 0 JKAFHN O=C(c1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1)N1CCCC[C@H]1CN1CC[C@H](O)C1 ZINC000045193005 563176539 /nfs/dbraw/zinc/17/65/39/563176539.db2.gz OIVXNPONLVMQKN-UIOOFZCWSA-N 0 3 498.602 5.097 1 0 JKAFHN CC(C)c1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(Cl)c4)s3)CC2)cc1 ZINC000045194427 563177088 /nfs/dbraw/zinc/17/70/88/563177088.db2.gz VBOWKWNIDHDAPO-UHFFFAOYSA-N 0 3 453.051 6.586 1 0 JKAFHN CC(C)c1ccc(NC(=O)c2ccc(CN3CCCN(Cc4cccc(Cl)c4)CC3)cc2)cc1 ZINC000045194971 563177287 /nfs/dbraw/zinc/17/72/87/563177287.db2.gz VBAXRYNZCDLTET-UHFFFAOYSA-N 0 3 476.064 6.424 1 0 JKAFHN COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1CN1CCCN(C)CC1 ZINC000045196203 563177818 /nfs/dbraw/zinc/17/78/18/563177818.db2.gz XFOXTMHVOYDYJE-UHFFFAOYSA-N 0 3 464.009 5.405 1 0 JKAFHN Fc1ccc(Nc2ccnc3cc(-c4ccc(CNCCN5CCOCC5)o4)ccc32)c(Cl)c1 ZINC000045201342 563178116 /nfs/dbraw/zinc/17/81/16/563178116.db2.gz NCTBNAAGEFFQBV-UHFFFAOYSA-N 0 3 480.971 5.453 1 0 JKAFHN O=C(Nc1ccccc1)N1CCO[C@@](CCN2CCC(F)(F)CC2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000045201501 563178246 /nfs/dbraw/zinc/17/82/46/563178246.db2.gz KWBYAAUQHIGGSX-HSZRJFAPSA-N 0 3 498.401 5.874 1 0 JKAFHN COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1CN1CCC(O)CC1 ZINC000045202933 563179057 /nfs/dbraw/zinc/17/90/57/563179057.db2.gz QNUMASYYDODSHR-UHFFFAOYSA-N 0 3 450.966 5.225 1 0 JKAFHN c1[nH]c2cnccc2c1CN1CCC2(CC1)CN(Cc1cc3ccccc3[nH]1)Cc1ccccc1O2 ZINC000045211399 563179662 /nfs/dbraw/zinc/17/96/62/563179662.db2.gz PKRZFCGIRUPBIV-UHFFFAOYSA-N 0 3 477.612 5.474 1 0 JKAFHN Cc1ccccc1CN1CCCN(Cc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000045226963 563179880 /nfs/dbraw/zinc/17/98/80/563179880.db2.gz FFVPHGFLTAIHAS-UHFFFAOYSA-N 0 3 469.673 6.253 1 0 JKAFHN CC(C)(C)c1ccc2[nH]c(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)s3)nc2c1 ZINC000045226917 563179933 /nfs/dbraw/zinc/17/99/33/563179933.db2.gz YFICPISYEFTYSQ-UHFFFAOYSA-N 0 3 472.658 5.983 1 0 JKAFHN CC(C)(C)c1ccc2nc(-c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)s3)[nH]c2c1 ZINC000045226917 563179934 /nfs/dbraw/zinc/17/99/34/563179934.db2.gz YFICPISYEFTYSQ-UHFFFAOYSA-N 0 3 472.658 5.983 1 0 JKAFHN O=C(NC[C@@H]1CCN(Cc2ccc(F)cc2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045227582 563180036 /nfs/dbraw/zinc/18/00/36/563180036.db2.gz QJUURZMUQZPDCO-KRWDZBQOSA-N 0 3 462.512 5.825 1 0 JKAFHN CC(C)c1ccc(NC(=O)c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000045227511 563180045 /nfs/dbraw/zinc/18/00/45/563180045.db2.gz YXJBAOUETPXTSL-UHFFFAOYSA-N 0 3 455.602 5.457 1 0 JKAFHN C[C@H]1C[C@H](NCCCNc2cc(=O)c3ccccc3[nH]2)c2c1cc(Cl)c(Cl)c2Cl ZINC000045229453 563180813 /nfs/dbraw/zinc/18/08/13/563180813.db2.gz QPDFIYBQMXBUFK-SJCJKPOMSA-N 0 3 450.797 6.128 1 0 JKAFHN C[C@H]1C[C@@H](NCCCNc2cc(=O)c3ccccc3[nH]2)c2c1cc(Cl)c(Cl)c2Cl ZINC000045229459 563180847 /nfs/dbraw/zinc/18/08/47/563180847.db2.gz QPDFIYBQMXBUFK-YVEFUNNKSA-N 0 3 450.797 6.128 1 0 JKAFHN CN1CCC(C(=O)Nc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)c2)CC1 ZINC000045229645 563180920 /nfs/dbraw/zinc/18/09/20/563180920.db2.gz VDRVUYKQPIWIEQ-UHFFFAOYSA-N 0 3 484.547 6.258 1 0 JKAFHN Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000045229986 563181039 /nfs/dbraw/zinc/18/10/39/563181039.db2.gz XEDUXCYHEQJVAN-UHFFFAOYSA-N 0 3 493.438 6.240 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc([C@H](C)O)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045284692 563183713 /nfs/dbraw/zinc/18/37/13/563183713.db2.gz DBFHDFUSJJCBCW-DEOSSOPVSA-N 0 3 485.672 6.025 1 0 JKAFHN COc1cccc2c1CCC[C@H]2CCCN1CCN(CCC[C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000045291148 563184911 /nfs/dbraw/zinc/18/49/11/563184911.db2.gz XBUZAXHMKYCWDI-UIOOFZCWSA-N 0 3 490.732 6.422 1 0 JKAFHN O=C1C[C@@H](CN2CCC(c3noc4cc(F)ccc43)CC2)Cc2nc(-c3ccccc3)ncc21 ZINC000045291246 563185026 /nfs/dbraw/zinc/18/50/26/563185026.db2.gz LSEUGCSNKVUOIA-KRWDZBQOSA-N 0 3 456.521 5.049 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2ccc(C(N)=O)cc2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045299510 563185391 /nfs/dbraw/zinc/18/53/91/563185391.db2.gz QQYYWTHLPOCWAB-UHFFFAOYSA-N 0 3 484.644 5.070 1 0 JKAFHN Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)c1 ZINC000045302033 563186068 /nfs/dbraw/zinc/18/60/68/563186068.db2.gz NAXXJOVRWOUXGS-UHFFFAOYSA-N 0 3 484.603 7.459 1 0 JKAFHN Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)[C@H](C)CN5CCN(C)CC5)c4)s3)nc21 ZINC000045302360 563186265 /nfs/dbraw/zinc/18/62/65/563186265.db2.gz VWHHEBWARHLMQO-LJQANCHMSA-N 0 3 473.646 5.089 1 0 JKAFHN Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)[C@H](C)CN5CCN(C)CC5)c4)s3)[nH]c21 ZINC000045302360 563186267 /nfs/dbraw/zinc/18/62/67/563186267.db2.gz VWHHEBWARHLMQO-LJQANCHMSA-N 0 3 473.646 5.089 1 0 JKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Nc2nc(-c3ccccc3)cs2)c1 ZINC000045302478 563186407 /nfs/dbraw/zinc/18/64/07/563186407.db2.gz WRRHIHHLBVGIQP-UHFFFAOYSA-N 0 3 468.626 5.948 1 0 JKAFHN Cc1cccc2[nH]c(-c3cccc(-c4cccc(CNCc5ccc(S(C)(=O)=O)cc5)c4)c3)nc21 ZINC000045302626 563186523 /nfs/dbraw/zinc/18/65/23/563186523.db2.gz RLFYYSCZWRRJMY-UHFFFAOYSA-N 0 3 481.621 5.899 1 0 JKAFHN Cc1cccc2nc(-c3cccc(-c4cccc(CNCc5ccc(S(C)(=O)=O)cc5)c4)c3)[nH]c21 ZINC000045302626 563186524 /nfs/dbraw/zinc/18/65/24/563186524.db2.gz RLFYYSCZWRRJMY-UHFFFAOYSA-N 0 3 481.621 5.899 1 0 JKAFHN CC(=O)N(C)[C@H]1CCN(Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045302613 563186542 /nfs/dbraw/zinc/18/65/42/563186542.db2.gz KILYUFCKRQXCRA-DEOSSOPVSA-N 0 3 492.545 5.968 1 0 JKAFHN COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(C)cc2[nH]1 ZINC000045302869 563186822 /nfs/dbraw/zinc/18/68/22/563186822.db2.gz YZUPUSFSKXNGFX-UHFFFAOYSA-N 0 3 489.019 5.595 1 0 JKAFHN CC(C)(C)c1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045302918 563186878 /nfs/dbraw/zinc/18/68/78/563186878.db2.gz DKPJRFQOVSDKBG-FQEVSTJZSA-N 0 3 467.078 6.618 1 0 JKAFHN COc1cccc(-c2csc(C(=O)NC[C@@H]3CCN(Cc4ccc(C(C)(C)C)cc4)C3)c2)c1 ZINC000045315888 563187443 /nfs/dbraw/zinc/18/74/43/563187443.db2.gz MBXZSQLAKYLOLH-NRFANRHFSA-N 0 3 462.659 5.973 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccccc3)CC2)c1)c1cc2ccccc2s1 ZINC000045318820 563187701 /nfs/dbraw/zinc/18/77/01/563187701.db2.gz OLXSRRQARZVFCJ-UHFFFAOYSA-N 0 3 455.627 5.862 1 0 JKAFHN Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)c1 ZINC000045321778 563188230 /nfs/dbraw/zinc/18/82/30/563188230.db2.gz FMQVUDKKZLABGB-UHFFFAOYSA-N 0 3 490.632 7.520 1 0 JKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1 ZINC000045321521 563188252 /nfs/dbraw/zinc/18/82/52/563188252.db2.gz GVPAKFSECRAWAN-UHFFFAOYSA-N 0 3 497.401 6.070 1 0 JKAFHN Cc1cccc(CN2CCCN(Cc3cccc(C(=O)Nc4ccc(C(C)(C)C)cc4)c3)CC2)c1 ZINC000045322081 563188376 /nfs/dbraw/zinc/18/83/76/563188376.db2.gz AROFZZUOFOTYCQ-UHFFFAOYSA-N 0 3 469.673 6.253 1 0 JKAFHN O=C(Nc1ccc2c(c1)CCN2[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1)c1ccco1 ZINC000045322708 563188527 /nfs/dbraw/zinc/18/85/27/563188527.db2.gz KXXHETNQPANAOE-NRFANRHFSA-N 0 3 455.480 5.188 1 0 JKAFHN O=C(c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1)N1CCCC[C@H]1CN1CC[C@H](O)C1 ZINC000045324162 563188998 /nfs/dbraw/zinc/18/89/98/563188998.db2.gz ONABTWKVVABHNB-VXKWHMMOSA-N 0 3 486.641 5.020 1 0 JKAFHN CN(C)CCNCc1ncsc1-c1ccc2c(c1)nccc2Nc1ccc(F)cc1Cl ZINC000045323933 563189019 /nfs/dbraw/zinc/18/90/19/563189019.db2.gz PIOIEYHZHOWJSG-UHFFFAOYSA-N 0 3 455.990 5.546 1 0 JKAFHN CN1CCC(C(=O)Nc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)CC1 ZINC000045323818 563189037 /nfs/dbraw/zinc/18/90/37/563189037.db2.gz DLTZFBCCDRGOIL-UHFFFAOYSA-N 0 3 478.518 6.196 1 0 JKAFHN COc1ccc(CN2CCCN(Cc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000045334639 563189623 /nfs/dbraw/zinc/18/96/23/563189623.db2.gz RXCHXTIBZGKTCZ-UHFFFAOYSA-N 0 3 464.009 5.309 1 0 JKAFHN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)[C@@H](C)CN5CCN(C)CC5)cc4)c3)nc21 ZINC000045334781 563189660 /nfs/dbraw/zinc/18/96/60/563189660.db2.gz KFXXWAWLHVFPPU-NRFANRHFSA-N 0 3 467.617 5.027 1 0 JKAFHN Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)[C@@H](C)CN5CCN(C)CC5)cc4)c3)[nH]c21 ZINC000045334781 563189661 /nfs/dbraw/zinc/18/96/61/563189661.db2.gz KFXXWAWLHVFPPU-NRFANRHFSA-N 0 3 467.617 5.027 1 0 JKAFHN CN1CCN(Cc2ccc(-c3ccc4c(c3)nccc4Nc3cc(O)c(F)cc3Cl)o2)CC1 ZINC000045335091 563189870 /nfs/dbraw/zinc/18/98/70/563189870.db2.gz ODPIVJKUQIKZNT-UHFFFAOYSA-N 0 3 466.944 5.484 1 0 JKAFHN COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1CN1CCCN(C)CC1 ZINC000045337053 563190414 /nfs/dbraw/zinc/19/04/14/563190414.db2.gz SMTSWDYSLDGKND-UHFFFAOYSA-N 0 3 464.009 5.405 1 0 JKAFHN Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccccc3[O-])cc12 ZINC000045348607 563191493 /nfs/dbraw/zinc/19/14/93/563191493.db2.gz NXALXNCWSLFUIV-NRFANRHFSA-N 0 3 450.542 5.255 1 0 JKAFHN CC(C)([NH3+])Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000049016129 563197295 /nfs/dbraw/zinc/19/72/95/563197295.db2.gz MYUCGCWNJHYMHV-UHFFFAOYSA-N 0 3 494.661 5.709 1 0 JKAFHN c1ccc(-c2cccc(OCCNC[C@H]3COC(c4ccccc4)(c4ccccc4)O3)c2)cc1 ZINC000049015646 563197330 /nfs/dbraw/zinc/19/73/30/563197330.db2.gz YMKDCAYLGKAORC-LJAQVGFWSA-N 0 3 451.566 5.639 1 0 JKAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3C[C@@H]4C[C@]4(c4ccccc4)C3)n2C)n1 ZINC000049032697 563198024 /nfs/dbraw/zinc/19/80/24/563198024.db2.gz HMMLWDCQIVJIHP-KDYSTLNUSA-N 0 3 455.631 5.094 1 0 JKAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3C[C@@H]4C[C@]4(c4ccc(Cl)cc4)C3)n2C)n1 ZINC000049033060 563198078 /nfs/dbraw/zinc/19/80/78/563198078.db2.gz AAONJNLMLWRZJE-CCLHPLFOSA-N 0 3 490.076 5.748 1 0 JKAFHN c1ccc(C(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1 ZINC000049033218 563198155 /nfs/dbraw/zinc/19/81/55/563198155.db2.gz MICPQZJRSOUTGV-UHFFFAOYSA-N 0 3 460.665 7.006 1 0 in-vivo JKAFHN CCCn1c(C)c(C(=O)NCCCCN2CCN(c3cccc(C)c3C)CC2)cc1-c1ccccc1 ZINC000049032984 563198160 /nfs/dbraw/zinc/19/81/60/563198160.db2.gz UQAWWWMXEVRWIO-UHFFFAOYSA-N 0 3 486.704 5.823 1 0 JKAFHN Cc1cc(N)cc(-c2ccc3[nH]nc(C=Cc4cccc(CN5CCN(C)CC5)c4)c3c2C)c1 ZINC000049071847 563201411 /nfs/dbraw/zinc/20/14/11/563201411.db2.gz FMMQGWSMYANLDD-VQHVLOKHSA-N 0 3 451.618 5.347 1 0 JKAFHN Oc1cccc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N[C@H]3CN4CCC3CC4)cc2)c1 ZINC000049109945 563202183 /nfs/dbraw/zinc/20/21/83/563202183.db2.gz GMJUHMVIMKBELC-SANMLTNESA-N 0 3 488.595 5.337 1 0 JKAFHN COc1cc2cccnc2c(N2CCN(C3CCN(c4cccc5c(C)cc(C)nc54)CC3)CC2)c1 ZINC000049115377 563202821 /nfs/dbraw/zinc/20/28/21/563202821.db2.gz VCZUIKWAOYYMFS-UHFFFAOYSA-N 0 3 481.644 5.199 1 0 JKAFHN CC[NH+](CC)CCN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1c(C(C)C)cccc1C(C)C ZINC000049916584 563204704 /nfs/dbraw/zinc/20/47/04/563204704.db2.gz FUCALSLKNDFARZ-UHFFFAOYSA-N 0 3 473.683 5.294 1 0 JKAFHN CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000053025955 563204961 /nfs/dbraw/zinc/20/49/61/563204961.db2.gz MHMZJEYRSGRQHH-UHFFFAOYSA-N 0 3 471.045 5.382 1 0 in-vitro JKAFHN CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3cc(F)ccc3F)CC2)CC1 ZINC000053026007 563204964 /nfs/dbraw/zinc/20/49/64/563204964.db2.gz NXJNUASOAQRPKJ-UHFFFAOYSA-N 0 3 472.580 5.007 1 0 JKAFHN COC(=O)C1(Cc2ccccc2)CCN(CC[C@H](NC(=O)C2CCC2)c2cccc3ccccc32)CC1 ZINC000053226712 563205252 /nfs/dbraw/zinc/20/52/52/563205252.db2.gz VUJNAFHGPRIXFY-LJAQVGFWSA-N 0 3 498.667 5.685 1 0 JKAFHN CCCc1nc(-c2ccccc2)c(CNCCCN2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000053294990 563205608 /nfs/dbraw/zinc/20/56/08/563205608.db2.gz KSDKUVJKNHCJCB-UHFFFAOYSA-N 0 3 453.030 5.249 1 0 JKAFHN CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1-c1ccc(C(F)(F)F)cc1 ZINC000058511863 563206842 /nfs/dbraw/zinc/20/68/42/563206842.db2.gz ZYOQAKUMKCVBLE-UHFFFAOYSA-N 0 3 497.561 5.869 1 0 JKAFHN CN1CCN(c2ccc(Nc3ccnc4ccc(-c5cccc(C(F)(F)F)c5)cc43)cc2)CC1 ZINC000058538355 563207046 /nfs/dbraw/zinc/20/70/46/563207046.db2.gz UZEDLEVQHJATDH-UHFFFAOYSA-N 0 3 462.519 6.416 1 0 JKAFHN CCCN1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4ccccc4C(N)=O)n3)c(F)c2)C1 ZINC000059114861 563208856 /nfs/dbraw/zinc/20/88/56/563208856.db2.gz CGLNKCUZVMEOBR-UHFFFAOYSA-N 0 3 485.567 5.182 1 0 JKAFHN Cc1cccnc1[C@H](NC(=O)C1CCN(Cc2cn(C)c3ccccc23)CC1)c1ccc(Cl)cc1 ZINC000061895649 563209707 /nfs/dbraw/zinc/20/97/07/563209707.db2.gz ULEPKGBDHCZVFU-MUUNZHRXSA-N 0 3 487.047 5.653 3 0 JKAFHN Cc1ccc([C@@H](NC(=O)C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccn2)cc1 ZINC000061902259 563209974 /nfs/dbraw/zinc/20/99/74/563209974.db2.gz FEPYGJAUZYZFGM-WJOKGBTCSA-N 0 3 491.635 6.300 3 0 JKAFHN N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccc(C(=O)NCc3ccco3)cn2)n1 ZINC000061902819 563210011 /nfs/dbraw/zinc/21/00/11/563210011.db2.gz HTHHJFSWGBGAQI-GOSISDBHSA-N 0 3 487.507 5.066 3 0 JKAFHN CCCCN(C)C(=O)c1ccc(Nc2nc([C@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)nc1 ZINC000061905226 563210271 /nfs/dbraw/zinc/21/02/71/563210271.db2.gz QCYKWMDBJTXBTH-GOSISDBHSA-N 0 3 477.556 5.415 3 0 JKAFHN Cc1cccnc1[C@@H](NC(=O)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1 ZINC000061906171 563210424 /nfs/dbraw/zinc/21/04/24/563210424.db2.gz NEOHLARHYYOGQU-HKBQPEDESA-N 0 3 491.635 6.300 3 0 JKAFHN CN(C)CCNC(=O)c1ccc(-c2cn3c(cn2)ncc3-c2ccc(Oc3ccccc3)cc2)cc1 ZINC000061907168 563210616 /nfs/dbraw/zinc/21/06/16/563210616.db2.gz FEHWRQTWEMENGY-UHFFFAOYSA-N 0 3 477.568 5.147 3 0 JKAFHN O=C(c1c2ccc(O)cc2sc1-c1cccc(O)c1)c1ccc(OCCN2CCCCC2)cc1 ZINC000000579801 562918021 /nfs/dbraw/zinc/91/80/21/562918021.db2.gz YQABXVKEERZQAK-UHFFFAOYSA-N 0 3 473.594 6.075 1 0 JKAFHN O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000000587489 562918080 /nfs/dbraw/zinc/91/80/80/562918080.db2.gz XCHLEGMBTYTUAM-UHFFFAOYSA-N 0 3 477.605 5.314 1 0 JKAFHN Nc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000000596623 562918307 /nfs/dbraw/zinc/91/83/07/562918307.db2.gz USTDQHUKYVFTSB-UHFFFAOYSA-N 0 3 499.442 5.239 1 0 JKAFHN Cc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccc(F)cc3)c2c1 ZINC000000604377 562918572 /nfs/dbraw/zinc/91/85/72/562918572.db2.gz KGASELUWIGUZKN-UHFFFAOYSA-N 0 3 462.613 5.403 1 0 JKAFHN C[C@H]1CCN(CCOc2ccc(C(=O)c3c4ccc(O)cc4sc3-c3ccc(O)cc3)cc2)C1 ZINC000000839728 562919280 /nfs/dbraw/zinc/91/92/80/562919280.db2.gz NITXIOJXVVTKIJ-SFHVURJKSA-N 0 3 473.594 5.931 1 0 JKAFHN COc1ccc2c(ccc3c2N(c2ccc(OCCN4CCCCC4)cc2)Cc2cc(OC)ccc2-3)c1 ZINC000001545280 562921037 /nfs/dbraw/zinc/92/10/37/562921037.db2.gz KOMVQXKUDXGFRJ-UHFFFAOYSA-N 0 3 494.635 7.040 1 0 JKAFHN CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000001548533 562921098 /nfs/dbraw/zinc/92/10/98/562921098.db2.gz JUFZNHUSCGNSBE-ULIFNZDWSA-N 0 3 477.648 7.575 1 0 JKAFHN C[C@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc21 ZINC000001551995 562921315 /nfs/dbraw/zinc/92/13/15/562921315.db2.gz WWABBSQIRKPECQ-PKKBDPGCSA-N 0 3 492.563 5.679 1 0 JKAFHN CC(=O)c1c(=O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1SCCN1CCCCCC1 ZINC000001655229 562922698 /nfs/dbraw/zinc/92/26/98/562922698.db2.gz UDQDMTQJGNKLHB-UHFFFAOYSA-N 0 3 479.671 5.528 1 0 JKAFHN O=C(Cc1ccc(Cl)c(Cl)c1)N(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1 ZINC000001657780 562922794 /nfs/dbraw/zinc/92/27/94/562922794.db2.gz IDESCMSWFKJKRM-UHFFFAOYSA-N 0 3 474.259 6.010 1 0 JKAFHN CN(CCN1CCCCC1)c1ccc(C(=O)c2c3ccc(O)cc3sc2-c2ccc(O)cc2)cc1 ZINC000003828542 562929467 /nfs/dbraw/zinc/92/94/67/562929467.db2.gz QYZCWRURCWEHCE-UHFFFAOYSA-N 0 3 486.637 6.133 1 0 JKAFHN Oc1ccc2c(c1)sc1c2[C@@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc2-1 ZINC000003951496 562930729 /nfs/dbraw/zinc/93/07/29/562930729.db2.gz TXINWSAFRMHRJC-HHHXNRCGSA-N 0 3 473.594 6.326 1 0 JKAFHN Oc1ccc2c(ccc3c2[C@@H](c2ccc(OCCN4CCCCC4)cc2)Oc2cc(O)ccc2-3)c1 ZINC000003951505 562930748 /nfs/dbraw/zinc/93/07/48/562930748.db2.gz BVMPSVISGVGNDN-SSEXGKCCSA-N 0 3 467.565 6.265 1 0 JKAFHN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CCCN(c3ccncc3)C2)CC1 ZINC000003956091 562930938 /nfs/dbraw/zinc/93/09/38/562930938.db2.gz KYQNBWRUUUOAIA-UHFFFAOYSA-N 0 3 471.445 5.642 1 0 JKAFHN CCN1CCC[C@H](Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc3cc(Cl)ccc32)C1 ZINC000005105989 562933853 /nfs/dbraw/zinc/93/38/53/562933853.db2.gz CNDBBOZQJPYNTH-INIZCTEOSA-N 0 3 450.801 6.230 1 0 JKAFHN C[C@@H](COc1ccc([C@@H]2Oc3ccc([O-])c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000006744953 562938298 /nfs/dbraw/zinc/93/82/98/562938298.db2.gz WGYZSJCMDOXKNM-FSQCKCQLSA-N 0 3 491.603 6.367 1 0 JKAFHN C[C@@H](COc1ccc([C@@H]2Oc3ccc([O-])c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)cc1)[N@H+]1CC[C@@H](C)C1 ZINC000006744953 562938299 /nfs/dbraw/zinc/93/82/99/562938299.db2.gz WGYZSJCMDOXKNM-FSQCKCQLSA-N 0 3 491.603 6.367 1 0 JKAFHN C[C@@H](COc1ccc([C@@H]2Oc3ccc([O-])c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)cc1)[N@@H+]1CCC[C@H]1C ZINC000006744950 562938335 /nfs/dbraw/zinc/93/83/35/562938335.db2.gz IQWWKHVNEDNTHC-FSQCKCQLSA-N 0 3 491.603 6.510 1 0 JKAFHN C[C@@H](COc1ccc([C@@H]2Oc3ccc([O-])c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)cc1)[N@H+]1CCC[C@H]1C ZINC000006744950 562938337 /nfs/dbraw/zinc/93/83/37/562938337.db2.gz IQWWKHVNEDNTHC-FSQCKCQLSA-N 0 3 491.603 6.510 1 0 JKAFHN CCCn1c(-c2ccc(F)cc2)nc2c1nc(C)nc2N1CCCN(Cc2ccccc2)CC1 ZINC000008017243 562938346 /nfs/dbraw/zinc/93/83/46/562938346.db2.gz FSKYLXTZVRCCNL-UHFFFAOYSA-N 0 3 458.585 5.063 1 0 JKAFHN O=C(Nc1ccccc1Cl)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000008670747 562949311 /nfs/dbraw/zinc/94/93/11/562949311.db2.gz WAORDGOWMGVLES-UHFFFAOYSA-N 0 3 459.981 5.167 3 0 JKAFHN CN(C(=O)c1cccc(CN2Cc3cc(Oc4ccccc4)ccc3NC2=N)c1)C1CCCCC1 ZINC000010339580 562957120 /nfs/dbraw/zinc/95/71/20/562957120.db2.gz FXTPEHCYBUSFBC-UHFFFAOYSA-N 0 3 468.601 5.846 1 0 JKAFHN Oc1ccc([C@@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000012503888 562960351 /nfs/dbraw/zinc/96/03/51/562960351.db2.gz TWZNCTCQAGRUGQ-SVBPBHIXSA-N 0 3 463.599 5.930 1 0 JKAFHN CCCCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O ZINC000013448514 562964494 /nfs/dbraw/zinc/96/44/94/562964494.db2.gz DGNKTCJDFITHNL-UHFFFAOYSA-N 0 3 465.613 5.120 1 0 JKAFHN CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(CCC)cn3ccccc23)cc1 ZINC000013451437 562964689 /nfs/dbraw/zinc/96/46/89/562964689.db2.gz AYLUWDTWMKYKEM-UHFFFAOYSA-N 0 3 484.706 6.396 1 0 JKAFHN CCCCN(CCCC)CCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1 ZINC000013451464 562964745 /nfs/dbraw/zinc/96/47/45/562964745.db2.gz RYCREWJFODPPDC-UHFFFAOYSA-N 0 3 456.652 5.616 1 0 JKAFHN Cc1c(COCCN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000013472861 562966118 /nfs/dbraw/zinc/96/61/18/562966118.db2.gz UOINGXZXFWPPEF-UHFFFAOYSA-N 0 3 478.851 6.810 1 0 JKAFHN COc1cccc(NC(=O)Nc2cc(CO)ccc2CN2CCC(Cc3ccccc3)CC2)c1 ZINC000013475821 562967112 /nfs/dbraw/zinc/96/71/12/562967112.db2.gz HYQURJMMWKKORU-UHFFFAOYSA-N 0 3 459.590 5.286 1 0 JKAFHN COC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)c(NC(=O)Nc2cccc(OC)c2)c1 ZINC000013475817 562967132 /nfs/dbraw/zinc/96/71/32/562967132.db2.gz MICNQVZTKFBIMO-UHFFFAOYSA-N 0 3 487.600 5.581 1 0 JKAFHN CCOc1cc(Br)c(OCC)c(CNCCCNc2cc(=O)c3ccccc3[nH]2)c1 ZINC000013487774 562967915 /nfs/dbraw/zinc/96/79/15/562967915.db2.gz CYCOLAMOTXQTFG-UHFFFAOYSA-N 0 3 474.399 5.092 1 0 JKAFHN CNc1c(Br)cc(Br)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487768 562967922 /nfs/dbraw/zinc/96/79/22/562967922.db2.gz DFEBWYHASYPBQC-UHFFFAOYSA-N 0 3 494.231 5.099 1 0 JKAFHN Oc1cccc([C@@H]2CCc3cc(O)ccc3N2Cc2ccc(OCCN3CCCCC3)cc2)c1 ZINC000013490110 562969169 /nfs/dbraw/zinc/96/91/69/562969169.db2.gz VPHDBSKPCLXHJV-NDEPHWFRSA-N 0 3 458.602 5.657 1 0 JKAFHN C[C@]1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(Cl)c1 ZINC000013523379 562971114 /nfs/dbraw/zinc/97/11/14/562971114.db2.gz IOFOGLZEKKPQKF-LJAQVGFWSA-N 0 3 477.048 6.237 1 0 JKAFHN CC(C)c1ccc(N2CCc3cc(O)ccc3[C@]2(C)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013523348 562971140 /nfs/dbraw/zinc/97/11/40/562971140.db2.gz DKSQEJYZOQNOID-YTTGMZPUSA-N 0 3 484.684 6.707 1 0 JKAFHN C[C@]1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccc(Cl)cc1 ZINC000013523324 562971145 /nfs/dbraw/zinc/97/11/45/562971145.db2.gz VFTGSSVGPZVFJF-LJAQVGFWSA-N 0 3 477.048 6.237 1 0 JKAFHN N=C1NC(=N)N(c2cccc(Cl)c2)[C@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1 ZINC000013559328 562974877 /nfs/dbraw/zinc/97/48/77/562974877.db2.gz NQOAVWUDLYOSJF-LJQANCHMSA-N 0 3 459.859 5.299 1 0 JKAFHN COc1ccc2[nH]cc(CCCCN3CCN(c4ccc(OC(=O)C(C)(C)C)cc4)CC3)c2c1 ZINC000013582394 562975926 /nfs/dbraw/zinc/97/59/26/562975926.db2.gz NVUYURVDDUMVRT-UHFFFAOYSA-N 0 3 463.622 5.273 1 0 JKAFHN COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5oc(C)cc54)[C@@H](C)C3)cc21 ZINC000013587202 562976882 /nfs/dbraw/zinc/97/68/82/562976882.db2.gz NNWMNOCTZDIGBT-IHPCNDPISA-N 0 3 465.615 5.972 1 0 JKAFHN COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc54)[C@@H](C)C3)cc21 ZINC000013587182 562976898 /nfs/dbraw/zinc/97/68/98/562976898.db2.gz MBTNZOCGXGVNLT-ZCNNSNEGSA-N 0 3 464.631 5.707 1 0 JKAFHN CCCN(Cc1sc(Nc2c(C)cc(C)cc2Br)nc1C(F)(F)F)CC1CC1 ZINC000013587338 562977024 /nfs/dbraw/zinc/97/70/24/562977024.db2.gz VKTLOCDSVVADAB-UHFFFAOYSA-N 0 3 476.406 6.907 1 0 JKAFHN CCCN(Cc1sc(N(CC)c2c(C)cc(C)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587341 562977042 /nfs/dbraw/zinc/97/70/42/562977042.db2.gz VTXGMWSAZQHNQL-UHFFFAOYSA-N 0 3 460.009 7.212 1 0 JKAFHN CCCC[C@H]1Cc2cc(OC)ccc2-c2c(CNCc3ccccc3)c3ccc(OC)cc3n21 ZINC000013606400 562978763 /nfs/dbraw/zinc/97/87/63/562978763.db2.gz VEBGEVVMYXASBM-QHCPKHFHSA-N 0 3 454.614 6.903 1 0 JKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Cl)c(OCCc2ccc(F)cc2)c1 ZINC000013643341 562980406 /nfs/dbraw/zinc/98/04/06/562980406.db2.gz CKSYIUHRYUDSQE-UHFFFAOYSA-N 0 3 467.972 5.142 1 0 JKAFHN COc1cccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2Cl)c1 ZINC000013643353 562980530 /nfs/dbraw/zinc/98/05/30/562980530.db2.gz KAZPUVKCBZSLAR-UHFFFAOYSA-N 0 3 480.008 5.012 1 0 JKAFHN Cc1cc(OCCN(C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000013671989 562982627 /nfs/dbraw/zinc/98/26/27/562982627.db2.gz OWXQNZISSGATPD-IZZDOVSWSA-N 0 3 459.468 5.034 1 0 JKAFHN Cc1c(C(=O)c2ccc(I)cc2)c2ccccc2n1C[C@H]1CCCCN1C ZINC000013674201 562982922 /nfs/dbraw/zinc/98/29/22/562982922.db2.gz XUGCXQVKBYCHHU-LJQANCHMSA-N 0 3 472.370 5.270 1 0 JKAFHN CCc1cc(Nc2cc(=O)n(CCCCCN3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]2)ccc1C ZINC000013674979 562983126 /nfs/dbraw/zinc/98/31/26/562983126.db2.gz YTDGKAKXSJZKPA-UHFFFAOYSA-N 0 3 490.623 5.250 1 0 JKAFHN O=C(NCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1c[nH]c2ccccc12 ZINC000013675663 562983268 /nfs/dbraw/zinc/98/32/68/562983268.db2.gz BNYZFCXUCLRASW-UHFFFAOYSA-N 0 3 475.036 6.651 1 0 JKAFHN O=C(NCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1c[nH]c2ccccc12 ZINC000013675665 562983281 /nfs/dbraw/zinc/98/32/81/562983281.db2.gz FAYCJMALFQZDBF-UHFFFAOYSA-N 0 3 489.063 7.041 1 0 JKAFHN O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1C(=O)c1ccccc1 ZINC000013679945 562984104 /nfs/dbraw/zinc/98/41/04/562984104.db2.gz LQELPESMSZISMU-UHFFFAOYSA-N 0 3 452.598 5.018 1 0 JKAFHN CC(C)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4cc(F)ccc34)CC2)C1=O ZINC000013731168 562985238 /nfs/dbraw/zinc/98/52/38/562985238.db2.gz APNZRLLPQMBJPZ-UHFFFAOYSA-N 0 3 466.576 5.234 1 0 JKAFHN CN(CCCCN1CCN(c2csc3cc(F)ccc32)CC1)C(=O)c1nsc2ccccc21 ZINC000013737872 562986294 /nfs/dbraw/zinc/98/62/94/562986294.db2.gz MPZIBOGLQLOZET-UHFFFAOYSA-N 0 3 482.650 5.325 1 0 JKAFHN COc1ccc(-c2c(CCN3CCN(c4cc(C)ccn4)CC3)c3cccc4c3n2CCC4)cc1 ZINC000013740417 562986710 /nfs/dbraw/zinc/98/67/10/562986710.db2.gz BRFVUHVMOMNHPM-UHFFFAOYSA-N 0 3 466.629 5.331 1 0 JKAFHN Cc1ccc(-c2c(CCN3CCN(c4cc(C)ccn4)CC3)c3cccc4c3n2CCC4)cc1 ZINC000013740414 562986737 /nfs/dbraw/zinc/98/67/37/562986737.db2.gz LCXZLHAYRLPDHD-UHFFFAOYSA-N 0 3 450.630 5.631 1 0 JKAFHN Cc1ccnc(N2CCN(CCc3c4cccc5c4n(c3-c3ccc(O)cc3)CCC5)CC2)c1 ZINC000013740418 562986767 /nfs/dbraw/zinc/98/67/67/562986767.db2.gz DEJBYZQKRPJPLR-UHFFFAOYSA-N 0 3 452.602 5.028 1 0 JKAFHN Cc1c(CCN2CCN(c3cc(C)ccn3)CC2)c2cccc3c2n1[C@@H](C1CCCCC1)CC3 ZINC000013740437 562986867 /nfs/dbraw/zinc/98/68/67/562986867.db2.gz SNSQNTMMECTXHN-MUUNZHRXSA-N 0 3 456.678 6.085 1 0 JKAFHN CCCC[C@H]1CCc2cc(OC)cc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000013740447 562986875 /nfs/dbraw/zinc/98/68/75/562986875.db2.gz FEMWGJLEXOCVFL-DEOSSOPVSA-N 0 3 460.666 5.704 1 0 JKAFHN Cc1c(CCN2CCN(c3cc(C)ccn3)CC2)c2cccc3c2n1[C@H](c1ccccc1)CC3 ZINC000013740439 562986888 /nfs/dbraw/zinc/98/68/88/562986888.db2.gz YESFCFFJOUJQQT-NDEPHWFRSA-N 0 3 450.630 5.553 1 0 JKAFHN CN(C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c2ccccc21 ZINC000013758039 562988892 /nfs/dbraw/zinc/98/88/92/562988892.db2.gz RVRBBMLDJGOSIK-QHCPKHFHSA-N 0 3 482.411 6.289 1 0 JKAFHN C[C@@H]1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2csc3cc(Cl)ccc32)CC1 ZINC000013759431 562989199 /nfs/dbraw/zinc/98/91/99/562989199.db2.gz IQFDCWASJWOOSB-SFHVURJKSA-N 0 3 478.127 5.691 1 0 JKAFHN C[C@@H]1SC(C)(C)C(=O)N1CCCCN1CCN(c2cn(-c3ccc(F)cc3)c3ccccc23)CC1 ZINC000013759416 562989216 /nfs/dbraw/zinc/98/92/16/562989216.db2.gz YGZBJEJSQMGESX-NRFANRHFSA-N 0 3 494.680 5.372 1 0 JKAFHN C[C@H]1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2csc3cc(Cl)ccc32)CC1 ZINC000013759433 562989242 /nfs/dbraw/zinc/98/92/42/562989242.db2.gz IQFDCWASJWOOSB-GOSISDBHSA-N 0 3 478.127 5.691 1 0 JKAFHN C[C@H]1SC(C)(C)C(=O)N1CCCCN1CCN(c2csc3cc(Cl)ccc32)CC1 ZINC000013759443 562989260 /nfs/dbraw/zinc/98/92/60/562989260.db2.gz NHIYPLSPTIMDLJ-MRXNPFEDSA-N 0 3 452.089 5.157 1 0 JKAFHN Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)N(CCN(C)C)CCO5)cc3)c(C)c2)no1 ZINC000013779296 562991430 /nfs/dbraw/zinc/99/14/30/562991430.db2.gz CLSGNFLCVLTDRU-UHFFFAOYSA-N 0 3 497.599 5.033 1 0 JKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c5cccc(-c6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000013780464 562991808 /nfs/dbraw/zinc/99/18/08/562991808.db2.gz BODOIOJWEKAOMM-DZVDWBIPSA-N 0 3 490.603 5.240 1 0 JKAFHN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCCN1CCCC1)c1ccccc1 ZINC000013795704 562993044 /nfs/dbraw/zinc/99/30/44/562993044.db2.gz CKOBJKXFKZEPEL-SANMLTNESA-N 0 3 479.624 6.258 1 0 JKAFHN O=S(=O)(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1CCN1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000013819791 562997258 /nfs/dbraw/zinc/99/72/58/562997258.db2.gz LDBILOUYTWRBLS-HSZRJFAPSA-N 0 3 476.646 5.072 1 0 JKAFHN O=C(CCCCN1CCN(c2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820045 562997344 /nfs/dbraw/zinc/99/73/44/562997344.db2.gz URHASXPLVHBLAG-ZLZBJJAKSA-N 0 3 477.718 5.749 1 0 JKAFHN O=C(CCCCCN1CCN(c2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820047 562997416 /nfs/dbraw/zinc/99/74/16/562997416.db2.gz AZRSMTXWABRQHY-RFJFUGTDSA-N 0 3 491.745 6.139 1 0 JKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000013824892 562998203 /nfs/dbraw/zinc/99/82/03/562998203.db2.gz RGPVIYPWZPOWLD-SSEXGKCCSA-N 0 3 475.604 6.350 1 0 JKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(c2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000013824894 562998210 /nfs/dbraw/zinc/99/82/10/562998210.db2.gz HNFHPRINJNFNEY-UHFFFAOYSA-N 0 3 493.594 6.489 1 0 JKAFHN CS(=O)(=O)N(CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)c1cccc2ccccc21 ZINC000013826849 562998473 /nfs/dbraw/zinc/99/84/73/562998473.db2.gz FEIKDGZRYAUDTC-UHFFFAOYSA-N 0 3 479.621 5.181 1 0 JKAFHN COc1ccc(-c2sc3ccccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834285 563000846 /nfs/dbraw/zinc/00/08/46/563000846.db2.gz QDLTTZGSVRQIKR-UHFFFAOYSA-N 0 3 471.622 6.673 1 0 JKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccccc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834302 563000934 /nfs/dbraw/zinc/00/09/34/563000934.db2.gz QMDVSLSBTALLFL-UHFFFAOYSA-N 0 3 457.595 6.370 1 0 JKAFHN CCN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(C)c1ccccc1 ZINC000013862485 563002890 /nfs/dbraw/zinc/00/28/90/563002890.db2.gz OEONXGPFOYMYQK-UHFFFAOYSA-N 0 3 485.631 7.201 1 0 JKAFHN CCN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1ccccc1 ZINC000013862488 563002915 /nfs/dbraw/zinc/00/29/15/563002915.db2.gz CFRYZNPYPAFSRK-UHFFFAOYSA-N 0 3 485.631 6.854 1 0 JKAFHN O[C@H](/C=C1\C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000013901729 563004396 /nfs/dbraw/zinc/00/43/96/563004396.db2.gz IICYPFHJKGRIGE-MZPPMKSDSA-N 0 3 463.543 6.592 1 0 JKAFHN C[C@@H](N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc21 ZINC000013919596 563004708 /nfs/dbraw/zinc/00/47/08/563004708.db2.gz WWABBSQIRKPECQ-CQLNOVPUSA-N 0 3 492.563 5.679 1 0 JKAFHN c1ccc2c(c1)nc1c(c2NCCCCSc2c3ccccc3nc3c2CCCC3)CCCC1 ZINC000014947272 563006911 /nfs/dbraw/zinc/00/69/11/563006911.db2.gz CIRIMMHDXBKVBG-UHFFFAOYSA-N 0 3 467.682 7.525 1 0 JKAFHN O=C(NC1CN(c2ccncc2)C1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959724 563008285 /nfs/dbraw/zinc/00/82/85/563008285.db2.gz OVIAMVWKKVORLD-UHFFFAOYSA-N 0 3 489.988 5.073 1 0 JKAFHN Cc1ccc(-c2csc(N3CCN(CCCn4c5ccccc5nc4C(F)(F)F)CC3)n2)cc1 ZINC000015934842 563011866 /nfs/dbraw/zinc/01/18/66/563011866.db2.gz IRKVSQIGDKLTRW-UHFFFAOYSA-N 0 3 485.579 5.699 3 0 JKAFHN FC(F)(F)c1cccc(-c2c[nH]nc2[C@H]2CCCN(Cc3cccn3-c3ccccn3)C2)c1 ZINC000020388555 563016153 /nfs/dbraw/zinc/01/61/53/563016153.db2.gz DVDNUYWLBNBRHO-IBGZPJMESA-N 0 3 451.496 5.661 1 0 JKAFHN FC(F)(F)c1cccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)c1 ZINC000020388549 563016159 /nfs/dbraw/zinc/01/61/59/563016159.db2.gz DVDNUYWLBNBRHO-LJQANCHMSA-N 0 3 451.496 5.661 1 0 JKAFHN Brc1ccc2[nH]cc([C@H]3CN[C@@H](c4c[nH]c5ccc(Br)cc54)CN3)c2c1 ZINC000022859384 563017221 /nfs/dbraw/zinc/01/72/21/563017221.db2.gz LLFCFVFHRMTXOG-WOJBJXKFSA-N 0 3 474.200 5.149 1 0 JKAFHN Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O ZINC000022924640 563017496 /nfs/dbraw/zinc/01/74/96/563017496.db2.gz BHVDELPYDQJPHR-UHFFFAOYSA-N 0 3 464.462 5.047 1 0 JKAFHN O=C(CCCN1CCN(CCCc2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000022925732 563017649 /nfs/dbraw/zinc/01/76/49/563017649.db2.gz HIUIQYGAJIUXAN-UHFFFAOYSA-N 0 3 455.646 5.250 1 0 JKAFHN Clc1ccc(-c2ccc(CN[C@H]3CCN(CC(c4ccccc4)c4ccccc4)C3)o2)cc1 ZINC000022932297 563018521 /nfs/dbraw/zinc/01/85/21/563018521.db2.gz ATGOCSGYJZJMMY-SANMLTNESA-N 0 3 457.017 6.596 1 0 JKAFHN Cc1ccc(O)c(NCCCN2CCCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000022934223 563018762 /nfs/dbraw/zinc/01/87/62/563018762.db2.gz ZUGSKSLEZRYICG-NDEPHWFRSA-N 0 3 464.053 5.953 1 0 JKAFHN Fc1ccc(C(OCCN2CCN(Cc3cccc4ccccc43)CC2)c2ccc(F)cc2)cc1 ZINC000022938676 563019207 /nfs/dbraw/zinc/01/92/07/563019207.db2.gz OIZZRKWWQDVNRM-UHFFFAOYSA-N 0 3 472.579 6.042 1 0 JKAFHN Fc1ccc(C(OCCN2CCN(CCc3cccc4ccccc43)CC2)c2ccc(F)cc2)cc1 ZINC000022938683 563019246 /nfs/dbraw/zinc/01/92/46/563019246.db2.gz PDIYHRCAHJQIGF-UHFFFAOYSA-N 0 3 486.606 6.084 1 0 JKAFHN O=C(CCCN1CCN(C/C=C/c2ccccc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000022940088 563019465 /nfs/dbraw/zinc/01/94/65/563019465.db2.gz IRXNIDKGCMSOEL-RXLFLEQRSA-N 0 3 497.708 5.609 1 0 JKAFHN O=C(CCCN1CCN(CCc2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000022940057 563019481 /nfs/dbraw/zinc/01/94/81/563019481.db2.gz UHWTXEQQJFGSFA-LUXHBGHRSA-N 0 3 491.745 5.397 1 0 JKAFHN CCCCCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022939646 563019532 /nfs/dbraw/zinc/01/95/32/563019532.db2.gz DDCCNOAVZJCVOM-UAABGXCFSA-N 0 3 479.709 5.851 1 0 JKAFHN C[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023360826 563020043 /nfs/dbraw/zinc/02/00/43/563020043.db2.gz QUOVWZCNMCSUEF-QHCPKHFHSA-N 0 3 464.600 5.567 1 0 JKAFHN CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6[nH]ccc65)ccc4[nH]3)ccc2Cl)CC1 ZINC000023359464 563020074 /nfs/dbraw/zinc/02/00/74/563020074.db2.gz GXVPRRQXIWVLPD-UHFFFAOYSA-N 0 3 487.995 5.376 1 0 JKAFHN CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ccnc6[nH]ccc65)cc4[nH]3)ccc2Cl)CC1 ZINC000023359464 563020076 /nfs/dbraw/zinc/02/00/76/563020076.db2.gz GXVPRRQXIWVLPD-UHFFFAOYSA-N 0 3 487.995 5.376 1 0 JKAFHN CSc1nccc(Oc2ccc3[nH]c(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)n1 ZINC000023359470 563020118 /nfs/dbraw/zinc/02/01/18/563020118.db2.gz JGMRAEWVFZTZRS-UHFFFAOYSA-N 0 3 496.040 5.012 1 0 JKAFHN CSc1nccc(Oc2ccc3nc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)[nH]c3c2)n1 ZINC000023359470 563020119 /nfs/dbraw/zinc/02/01/19/563020119.db2.gz JGMRAEWVFZTZRS-UHFFFAOYSA-N 0 3 496.040 5.012 1 0 JKAFHN COc1ccc(S(=O)(=O)N[C@H](CN[C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026152556 563022508 /nfs/dbraw/zinc/02/25/08/563022508.db2.gz KQDXAFJALGMWOX-URXFXBBRSA-N 0 3 474.626 5.089 1 0 JKAFHN COc1ccc(S(=O)(=O)N[C@@H](CN[C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026152563 563022543 /nfs/dbraw/zinc/02/25/43/563022543.db2.gz KQDXAFJALGMWOX-ZJSXRUAMSA-N 0 3 474.626 5.089 1 0 JKAFHN C[C@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026158910 563022624 /nfs/dbraw/zinc/02/26/24/563022624.db2.gz HXWPVLFGOOFIJD-GBXCKJPGSA-N 0 3 479.045 5.734 1 0 JKAFHN C[C@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026158924 563022668 /nfs/dbraw/zinc/02/26/68/563022668.db2.gz HXWPVLFGOOFIJD-RDPSFJRHSA-N 0 3 479.045 5.734 1 0 JKAFHN CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000026184305 563023953 /nfs/dbraw/zinc/02/39/53/563023953.db2.gz PSWNXCMQSMWLSU-UHFFFAOYSA-N 0 3 485.632 5.670 1 0 JKAFHN COc1ccc([S@](=O)c2ccc([C@H](C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2)cc1 ZINC000026380102 563026658 /nfs/dbraw/zinc/02/66/58/563026658.db2.gz CSHHMALNFJAJIB-QGRQJHSQSA-N 0 3 494.745 6.434 1 0 JKAFHN COc1cc(Cn2c(-c3ccc(OCCCCO)cc3)cc3ccccc32)ccc1CN1CCCC1 ZINC000026391531 563027149 /nfs/dbraw/zinc/02/71/49/563027149.db2.gz STLCUSUSKOKHCB-UHFFFAOYSA-N 0 3 484.640 6.112 1 0 JKAFHN CC(C)n1cnc2c1nc(N(CCN(C)C)Cc1ccccc1)nc2Nc1cccc(Cl)c1 ZINC000026469194 563027838 /nfs/dbraw/zinc/02/78/38/563027838.db2.gz NZKHLCGGXIVSCV-UHFFFAOYSA-N 0 3 464.017 5.372 1 0 JKAFHN Cc1ccccc1[C@H](c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026506922 563029484 /nfs/dbraw/zinc/02/94/84/563029484.db2.gz NQRYZWXYAFHRHX-MHZLTWQESA-N 0 3 460.585 5.036 1 0 JKAFHN Cc1ccsc1[C@@H](c1ccccc1C)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026567112 563029638 /nfs/dbraw/zinc/02/96/38/563029638.db2.gz WZOPZZHCALZOMQ-RUZDIDTESA-N 0 3 480.641 5.405 1 0 JKAFHN Oc1ccc2c(c1)S[C@H](CC1CCCC1)[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026571855 563030027 /nfs/dbraw/zinc/03/00/27/563030027.db2.gz LYGFMXPMAQKVFA-SXOMAYOGSA-N 0 3 453.648 6.432 1 0 JKAFHN CCc1c(-c2ccc(OCCN3CCCCC3)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(O)cc1 ZINC000026573167 563030121 /nfs/dbraw/zinc/03/01/21/563030121.db2.gz SMYDPKRFVHAWET-UHFFFAOYSA-N 0 3 483.608 7.119 1 0 JKAFHN Oc1ccc2c(c1)S[C@H](c1cccs1)[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026574949 563030295 /nfs/dbraw/zinc/03/02/95/563030295.db2.gz UTNNZWWKLIJITH-LOSJGSFVSA-N 0 3 453.629 6.286 1 0 JKAFHN CCc1c(O)ccc2c1O[C@H](c1ccc(OCCN3CCCCC3)cc1)[C@H](c1ccc(O)cc1)S2 ZINC000026651710 563032177 /nfs/dbraw/zinc/03/21/77/563032177.db2.gz ZWNVQZODHBWMRE-PXJZQJOASA-N 0 3 491.653 6.492 1 0 JKAFHN Oc1ccc2c(c1)S[C@@H](c1ccc(F)cc1)[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026657066 563032483 /nfs/dbraw/zinc/03/24/83/563032483.db2.gz PXQIHYPEOSFFBY-SVBPBHIXSA-N 0 3 465.590 6.363 1 0 JKAFHN Oc1ccc2c(c1)S[C@@H](c1ccc(F)cc1)[C@@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026657071 563032520 /nfs/dbraw/zinc/03/25/20/563032520.db2.gz PXQIHYPEOSFFBY-SXOMAYOGSA-N 0 3 465.590 6.363 1 0 JKAFHN COc1ccc([C@@H]2Sc3cc(O)ccc3O[C@@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000026660988 563032697 /nfs/dbraw/zinc/03/26/97/563032697.db2.gz DVAHOHVVLYMDAM-IZLXSDGUSA-N 0 3 477.626 6.233 1 0 JKAFHN CCN(CC)Cc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026671495 563033329 /nfs/dbraw/zinc/03/33/29/563033329.db2.gz BWBVBRWUSUPAGL-UHFFFAOYSA-N 0 3 480.056 5.898 1 0 JKAFHN O=C(CN1CCCCC1)Nc1cc(CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026675551 563033554 /nfs/dbraw/zinc/03/35/54/563033554.db2.gz VWBCXSGNKRGGGI-UHFFFAOYSA-N 0 3 492.067 6.042 1 0 JKAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2nccc(N3CC[NH2+][C@@H](C)C3)c2c1 ZINC000026725908 563033981 /nfs/dbraw/zinc/03/39/81/563033981.db2.gz XYJTURUCNQJUDF-AWEZNQCLSA-N 0 3 487.050 5.010 1 0 JKAFHN COC(=O)[C@@H]1CCC[C@@H](NCc2n[nH]c3cccc(OCc4ccc(Cl)c(Cl)c4)c32)C1 ZINC000026727640 563034052 /nfs/dbraw/zinc/03/40/52/563034052.db2.gz OAYAVSHLOXDZCU-HZPDHXFCSA-N 0 3 462.377 5.270 1 0 JKAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2nccc(N3CC[NH2+][C@H](C)C3)c2c1 ZINC000026728823 563034167 /nfs/dbraw/zinc/03/41/67/563034167.db2.gz XYJTURUCNQJUDF-CQSZACIVSA-N 0 3 487.050 5.010 1 0 JKAFHN Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(cccc5-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026740098 563034629 /nfs/dbraw/zinc/03/46/29/563034629.db2.gz PKDUVBIPSGHDLQ-BESSAKRQSA-N 0 3 490.603 5.240 1 0 JKAFHN C[C@H](Nc1cc(-c2oc(C3(O)CCN(C)CC3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000027109136 563040684 /nfs/dbraw/zinc/04/06/84/563040684.db2.gz VCCLRUPEBNQCKO-IBGZPJMESA-N 0 3 472.564 5.629 1 0 JKAFHN Oc1cccc([C@H]2Sc3cc(O)ccc3S[C@H]2c2ccc(OCCN3CCCCC3)cc2)c1 ZINC000027210556 563041919 /nfs/dbraw/zinc/04/19/19/563041919.db2.gz BBLGBSSQOMHADP-RRPNLBNLSA-N 0 3 479.667 6.643 1 0 JKAFHN CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc32)cc(-c2ccc(Cl)cc2)c1F ZINC000027520379 563044857 /nfs/dbraw/zinc/04/48/57/563044857.db2.gz WEHQJZRMAQYDOP-UHFFFAOYSA-N 0 3 468.403 7.933 1 0 JKAFHN O=C(c1ccc(F)cc1)C1CCN(CCS[C@H]2Cc3ccccc3Oc3ccccc32)CC1 ZINC000027554731 563046265 /nfs/dbraw/zinc/04/62/65/563046265.db2.gz DGQLJIIOAAELJV-MHZLTWQESA-N 0 3 461.602 6.543 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccccc1OCCN1CCCC1 ZINC000027653706 563048924 /nfs/dbraw/zinc/04/89/24/563048924.db2.gz FICHCAISVCBNQX-FQLXRVMXSA-N 0 3 457.614 6.257 1 0 JKAFHN Cc1cc(/C=C/C(=O)NCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cnc1C ZINC000027656051 563049140 /nfs/dbraw/zinc/04/91/40/563049140.db2.gz ODHAFWRKVGFZNA-FOCLMDBBSA-N 0 3 482.672 5.015 1 0 JKAFHN O=C(c1ccc(Cl)cc1)C1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027711587 563049828 /nfs/dbraw/zinc/04/98/28/563049828.db2.gz SQTAFGFBVUUEPI-UHFFFAOYSA-N 0 3 468.975 6.741 1 0 JKAFHN C=C1N=C(C)C(C(=O)OC(C)C)[C@H](C2=CC=CN(C(=O)OC(C)(C)C)C2)C1C(=O)OC(C)C ZINC000027721615 563050277 /nfs/dbraw/zinc/05/02/77/563050277.db2.gz RPSIQWLOSIBGIM-OBVHCKHUSA-N 0 3 460.571 5.188 1 0 JKAFHN COc1cc2c(cc1OC)[C@H](CCN1CCN(c3ccc(Cl)cc3)CC1)OCC(C)(C)C2 ZINC000027735260 563050852 /nfs/dbraw/zinc/05/08/52/563050852.db2.gz GRALYAHEKUITCC-QHCPKHFHSA-N 0 3 459.030 5.210 1 0 JKAFHN O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1C1CCN(CCc2ccccc2)CC1 ZINC000027764161 563051537 /nfs/dbraw/zinc/05/15/37/563051537.db2.gz QXGWUKCNBDTGGB-UHFFFAOYSA-N 0 3 458.005 5.231 1 0 JKAFHN COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000027854371 563051954 /nfs/dbraw/zinc/05/19/54/563051954.db2.gz WKWQEAYRIWSOKD-DHLKQENFSA-N 0 3 461.433 5.545 1 0 JKAFHN COc1cc2c(cc1OC)C(C)(C)CO[C@H]2CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000027900133 563053260 /nfs/dbraw/zinc/05/32/60/563053260.db2.gz KRTLVNHHWJVSMS-QFIPXVFZSA-N 0 3 478.555 5.284 1 0 JKAFHN COC(=O)c1ccc2c(c1)sc(-c1ccccc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000027994298 563054124 /nfs/dbraw/zinc/05/41/24/563054124.db2.gz WBDPHWBGJQIYDK-UHFFFAOYSA-N 0 3 499.632 6.451 1 0 JKAFHN CC(C)N(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)C(C)C ZINC000028130494 563057321 /nfs/dbraw/zinc/05/73/21/563057321.db2.gz KGQWMORLWCQNGT-UHFFFAOYSA-N 0 3 460.780 7.485 1 0 JKAFHN CCN(CCC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028133504 563057501 /nfs/dbraw/zinc/05/75/01/563057501.db2.gz CRXIGTKSHIKVLO-UHFFFAOYSA-N 0 3 472.791 7.488 1 0 JKAFHN CCN(CCN(C)C)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028133812 563057503 /nfs/dbraw/zinc/05/75/03/563057503.db2.gz XWGZRLMMOAWCPK-UHFFFAOYSA-N 0 3 475.795 6.249 1 0 JKAFHN CCCCN(CC)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028133761 563057519 /nfs/dbraw/zinc/05/75/19/563057519.db2.gz PZFTYXHCSXUODF-UHFFFAOYSA-N 0 3 460.780 7.488 1 0 JKAFHN CC(=O)N1CCc2ccc(N(C/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028244976 563058860 /nfs/dbraw/zinc/05/88/60/563058860.db2.gz MLLLFLGHHBZUNH-MDWZMJQESA-N 0 3 465.641 5.780 1 0 JKAFHN CC(C)[C@@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Oc1ccccc1C(F)(F)F ZINC000028347704 563060859 /nfs/dbraw/zinc/06/08/59/563060859.db2.gz YZMDJCYFVDZWAD-JOCHJYFZSA-N 0 3 461.528 5.479 1 0 JKAFHN CCN1CCC[C@H]1CNC(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000028365764 563061954 /nfs/dbraw/zinc/06/19/54/563061954.db2.gz PDQMROYIXJRXGV-QFIPXVFZSA-N 0 3 488.588 5.346 1 0 JKAFHN Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC[C@@H]4C[C@@H]43)cc2)cc1 ZINC000028365103 563061977 /nfs/dbraw/zinc/06/19/77/563061977.db2.gz ISNMOIVTZCAIGR-PFLPKTOKSA-N 0 3 461.583 5.538 1 0 JKAFHN CN(C)c1cccc(N2CCc3cc(O)ccc3[C@H]2c2ccc(OCCN3CCCCC3)cc2)c1 ZINC000028365904 563062027 /nfs/dbraw/zinc/06/20/27/563062027.db2.gz DBALQCXJSKOKLW-SSEXGKCCSA-N 0 3 471.645 5.475 1 0 JKAFHN CCNC(=O)c1ccc(C(c2c(C)cccc2C)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028383106 563063025 /nfs/dbraw/zinc/06/30/25/563063025.db2.gz QFLVUJQVAZYXOD-MKPDMIMOSA-N 0 3 454.614 6.275 1 0 JKAFHN O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2[O-])c1SC[C@H](O)C[NH+]1CCCC1 ZINC000028383695 563063110 /nfs/dbraw/zinc/06/31/10/563063110.db2.gz TWQGXDKLEAMHRD-OAHLLOKOSA-N 0 3 498.954 5.122 1 0 JKAFHN O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2[O-])c1SC[C@@H](O)C[NH+]1CCCC1 ZINC000028383701 563063120 /nfs/dbraw/zinc/06/31/20/563063120.db2.gz TWQGXDKLEAMHRD-HNNXBMFYSA-N 0 3 498.954 5.122 1 0 JKAFHN COC(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 ZINC000028384255 563063125 /nfs/dbraw/zinc/06/31/25/563063125.db2.gz KQVIWUMYUUQBQN-UHFFFAOYSA-N 0 3 497.557 5.538 1 0 JKAFHN CCN1CCC[C@H]1CNC(=O)c1ccc(-c2noc(-c3ccc(Oc4ccccc4)cc3)n2)cc1 ZINC000028390055 563063532 /nfs/dbraw/zinc/06/35/32/563063532.db2.gz JOVZTLZGIDTJFC-QHCPKHFHSA-N 0 3 468.557 5.410 1 0 JKAFHN CCNC(=O)c1ccc(C(c2cccc(NC(C)=O)c2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccccn2)cc1 ZINC000028397469 563063933 /nfs/dbraw/zinc/06/39/33/563063933.db2.gz WTSVMKINKCBNSQ-ISILISOKSA-N 0 3 494.639 5.419 1 0 JKAFHN CC(C)(C)c1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028520507 563066211 /nfs/dbraw/zinc/06/62/11/563066211.db2.gz PJVDPUISQGQTMX-HHHXNRCGSA-N 0 3 480.672 5.936 1 0 JKAFHN CN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5cscn5)c(Cl)c4)c32)CC1 ZINC000028522518 563066632 /nfs/dbraw/zinc/06/66/32/563066632.db2.gz HBTRDSONVLGOKS-UHFFFAOYSA-N 0 3 482.009 5.535 1 0 JKAFHN O[C@]12Cc3c4ccccc4[nH]c3[C@H]3Oc4c5c(ccc4-c4ccco4)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000028523337 563066756 /nfs/dbraw/zinc/06/67/56/563066756.db2.gz GIRHPTYKUIOUEX-UDKDNODWSA-N 0 3 464.565 5.127 1 0 JKAFHN O[C@@H](CNCc1ccccc1OCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028523459 563066881 /nfs/dbraw/zinc/06/68/81/563066881.db2.gz REPLYXLKVPFGQG-NRFANRHFSA-N 0 3 469.425 6.126 1 0 JKAFHN CC(C)C[C@@H](CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000028523727 563066965 /nfs/dbraw/zinc/06/69/65/563066965.db2.gz HVOZQNDFLSATHB-QFIPXVFZSA-N 0 3 455.474 5.480 1 0 JKAFHN O[C@]12Cc3c4ccccc4[nH]c3[C@H]3Oc4c5c(ccc4-c4ccccc4)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000028523795 563066980 /nfs/dbraw/zinc/06/69/80/563066980.db2.gz ILZXOOGQPIFULM-KLWPZSMLSA-N 0 3 474.604 5.534 1 0 JKAFHN COc1ccc(NC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523702 563066991 /nfs/dbraw/zinc/06/69/91/563066991.db2.gz CUUICAFATAIIHS-MUUNZHRXSA-N 0 3 492.708 5.806 1 0 JKAFHN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)n1cc(C[C@@H]2CCCN2C)c2ccccc21 ZINC000028524684 563067202 /nfs/dbraw/zinc/06/72/02/563067202.db2.gz DDWVEJUFVBSWBZ-SFHVURJKSA-N 0 3 459.036 5.692 1 0 JKAFHN O=S(=O)(c1ccccc1Br)n1cc([C@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000028525110 563067478 /nfs/dbraw/zinc/06/74/78/563067478.db2.gz AZXATNGYDIGGJK-FQEVSTJZSA-N 0 3 495.442 5.630 1 0 JKAFHN O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cnc2ccccc2c1 ZINC000028525623 563067640 /nfs/dbraw/zinc/06/76/40/563067640.db2.gz ILSHGTDNTMHFTJ-DHIUTWEWSA-N 0 3 466.379 5.251 1 0 JKAFHN Cc1ccc(C(=O)Nc2ccccc2NC(=O)OCC2CCN(c3ccncc3)CC2)cc1F ZINC000028526272 563067873 /nfs/dbraw/zinc/06/78/73/563067873.db2.gz NRWAQQPTCYUWBP-UHFFFAOYSA-N 0 3 462.525 5.247 1 0 JKAFHN CN1CCC(Oc2cccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c32)CC1 ZINC000028527032 563068092 /nfs/dbraw/zinc/06/80/92/563068092.db2.gz VQXONFAAUSCWAP-UHFFFAOYSA-N 0 3 492.982 6.218 1 0 JKAFHN O=S(=O)(c1ccc(Cl)c(Cl)c1)n1cc([C@@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000028527073 563068113 /nfs/dbraw/zinc/06/81/13/563068113.db2.gz XDTDNGOPBLKLPK-LJQANCHMSA-N 0 3 485.436 6.175 1 0 JKAFHN C[C@@H](COc1ccc(C(=O)c2c3ccc(O)cc3sc2-c2ccc(O)cc2)cc1)N1CCCC1 ZINC000028530601 563068807 /nfs/dbraw/zinc/06/88/07/563068807.db2.gz UQRWUYACRDDBAE-SFHVURJKSA-N 0 3 473.594 6.074 1 0 JKAFHN Cc1ccc([C@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)N2CCN(C)CC2)cc1 ZINC000028646216 563073331 /nfs/dbraw/zinc/07/33/31/563073331.db2.gz XZBKLRRYJOUOQG-YTTGMZPUSA-N 0 3 484.732 5.077 1 0 JKAFHN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OC[C@@H](C)N4CCN(C)CC4)cc3)nnc2c1 ZINC000028702861 563074748 /nfs/dbraw/zinc/07/47/48/563074748.db2.gz APKZZQNZDWDZPF-HSZRJFAPSA-N 0 3 496.659 5.375 1 0 JKAFHN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OC[C@H](C)N4CCN(C)CC4)cc3)nnc2c1 ZINC000028702858 563074789 /nfs/dbraw/zinc/07/47/89/563074789.db2.gz APKZZQNZDWDZPF-QHCPKHFHSA-N 0 3 496.659 5.375 1 0 JKAFHN O=S1(=O)CC=C(c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)CC1 ZINC000028710036 563076033 /nfs/dbraw/zinc/07/60/33/563076033.db2.gz PRSCKUYRGQJIGJ-UHFFFAOYSA-N 0 3 493.625 5.404 1 0 JKAFHN CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccc(Cl)cc4)cc3)CC2)c1 ZINC000028710585 563076172 /nfs/dbraw/zinc/07/61/72/563076172.db2.gz INIGBMVFQMXBFW-UHFFFAOYSA-N 0 3 463.021 7.106 1 0 JKAFHN COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4cc(C)ccc4n3)cc2)CC1 ZINC000028711424 563076497 /nfs/dbraw/zinc/07/64/97/563076497.db2.gz BSWBATABCUZHGT-UHFFFAOYSA-N 0 3 470.617 5.300 1 0 JKAFHN N=C(N)Nc1cccc(N2c3ccccc3C(C3CCCCC3)=NN(Cc3ccccc3)C2=O)c1 ZINC000028711858 563076558 /nfs/dbraw/zinc/07/65/58/563076558.db2.gz ASELOZZDPWFMHX-UHFFFAOYSA-N 0 3 466.589 6.050 1 0 JKAFHN CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCN(C[C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000028764162 563078457 /nfs/dbraw/zinc/07/84/57/563078457.db2.gz QXAWSSWYWHHUAE-XYFQYJLHSA-N 0 3 495.711 5.681 1 0 JKAFHN CCCCN[C@@H](c1ccc(Cl)cc1Cl)[C@@H](NCCCC)c1ccc(Cl)cc1Cl ZINC000028765378 563078579 /nfs/dbraw/zinc/07/85/79/563078579.db2.gz NEQZGYQZBDEPEM-VXKWHMMOSA-N 0 3 462.292 7.862 1 0 JKAFHN CN1CCN(CCCCOc2ccc(C3O[C@H](c4ccccc4)[C@@H](c4ccccc4)O3)cc2)CC1 ZINC000028816323 563079593 /nfs/dbraw/zinc/07/95/93/563079593.db2.gz SSLJAYIRKBZYRD-FQLXRVMXSA-N 0 3 472.629 5.621 1 0 JKAFHN CN1CCN(Cc2ccc(CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)CC1 ZINC000028821659 563080758 /nfs/dbraw/zinc/08/07/58/563080758.db2.gz KKDLQNPYMYKYAO-UHFFFAOYSA-N 0 3 469.576 6.256 1 0 JKAFHN CSc1ccc([C@@H]2CN(C)Cc3cc(Oc4cc(CN5CCCCC5)ccn4)ccc32)cc1 ZINC000028827076 563082681 /nfs/dbraw/zinc/08/26/81/563082681.db2.gz AWKILERFBATDPB-MHZLTWQESA-N 0 3 459.659 6.159 1 0 JKAFHN CSc1ccc([C@H]2CN(C)Cc3cc(Oc4cccc(CN5CCCCC5)n4)ccc32)cc1 ZINC000028827063 563082708 /nfs/dbraw/zinc/08/27/08/563082708.db2.gz UGDRNJYUOIZTTP-HHHXNRCGSA-N 0 3 459.659 6.159 1 0 JKAFHN CSc1ccc([C@@H]2CN(C)Cc3cc(Oc4cncc(CN5CCCCC5)c4)ccc32)cc1 ZINC000028827072 563082730 /nfs/dbraw/zinc/08/27/30/563082730.db2.gz NZWFFJWOAKYYID-NDEPHWFRSA-N 0 3 459.659 6.159 1 0 JKAFHN CSc1ccc([C@@H]2CN(C)Cc3cc(Oc4ccc(CN5CCCCC5)nc4)ccc32)cc1 ZINC000028827080 563082878 /nfs/dbraw/zinc/08/28/78/563082878.db2.gz VLEAGNJHWYVHPR-NDEPHWFRSA-N 0 3 459.659 6.159 1 0 JKAFHN CSc1ccc([C@H]2CN(C)Cc3cc(Oc4ccc(CN5CCC(F)CC5)cn4)ccc32)cc1 ZINC000028827087 563082911 /nfs/dbraw/zinc/08/29/11/563082911.db2.gz KWIGMVZMURUWHZ-HHHXNRCGSA-N 0 3 477.649 6.107 1 0 JKAFHN CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@@H](C)NCCC(C)(C)C)s1 ZINC000028827398 563083096 /nfs/dbraw/zinc/08/30/96/563083096.db2.gz AUHIFWMBYZBSOK-QRWLVFNGSA-N 0 3 494.652 5.283 1 0 JKAFHN Fc1ccccc1-c1nc(COc2ccc3c(c2)[C@@H](N2CCN(C4CCCC4)CC2)CC3)no1 ZINC000028880896 563084765 /nfs/dbraw/zinc/08/47/65/563084765.db2.gz JZTHVDIHEMBRBU-VWLOTQADSA-N 0 3 462.569 5.002 1 0 JKAFHN COc1ccc2nccc([C@H]3CN(C4CCN(Cc5ccc6ccccc6c5)CC4)C(=O)O3)c2c1 ZINC000028893429 563085453 /nfs/dbraw/zinc/08/54/53/563085453.db2.gz CXPWIZLGIZBSFJ-MUUNZHRXSA-N 0 3 467.569 5.555 1 0 JKAFHN COc1cc(Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1OCCN1CCCC1 ZINC000028899201 563085943 /nfs/dbraw/zinc/08/59/43/563085943.db2.gz GCGJCQDSXWRBSQ-UHFFFAOYSA-N 0 3 487.625 6.829 1 0 JKAFHN Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1CN1CCC[C@@H]1c1ccccc1 ZINC000028903791 563086498 /nfs/dbraw/zinc/08/64/98/563086498.db2.gz AYPRBDIXIJJDIB-HSZRJFAPSA-N 0 3 470.020 6.589 1 0 JKAFHN Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1CN(C)CCc1ccncc1 ZINC000028903856 563086530 /nfs/dbraw/zinc/08/65/30/563086530.db2.gz HXEQWDCVCLUZML-UHFFFAOYSA-N 0 3 458.997 5.321 1 0 JKAFHN COc1ccc2c(C)cc(N[C@H]3CCC[C@H](NCc4ccc(S(C)(=O)=O)cc4Cl)C3)nc2c1 ZINC000028951129 563087119 /nfs/dbraw/zinc/08/71/19/563087119.db2.gz VMQFUMMMSSYUEF-OALUTQOASA-N 0 3 488.053 5.122 1 0 JKAFHN NC(=O)c1ccc2[nH]c(-c3ccc(OCC4CCN(Cc5ccc(Cl)cc5)CC4)cc3)nc2c1 ZINC000028960706 563088950 /nfs/dbraw/zinc/08/89/50/563088950.db2.gz LKKIDFQBVDANKO-UHFFFAOYSA-N 0 3 474.992 5.273 1 0 in-vitro JKAFHN COc1ccc(CN2CCCC[C@H]2CCOc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 ZINC000028960862 563088980 /nfs/dbraw/zinc/08/89/80/563088980.db2.gz SCJZQQQHAFLNNH-QHCPKHFHSA-N 0 3 484.600 5.161 1 0 JKAFHN Cc1ccccc1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn32)n1 ZINC000028963665 563089186 /nfs/dbraw/zinc/08/91/86/563089186.db2.gz UYBHQQUKDOMTTD-UHFFFAOYSA-N 0 3 466.564 5.580 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2ccc(F)c(F)c2)n1 ZINC000028963675 563089192 /nfs/dbraw/zinc/08/91/92/563089192.db2.gz XVZSNTPLIZZMEO-UHFFFAOYSA-N 0 3 488.517 5.549 1 0 JKAFHN Cc1cccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)[N-]C3=O)c1 ZINC000029049450 563092853 /nfs/dbraw/zinc/09/28/53/563092853.db2.gz IOOKPOHJAMJQFS-IMRQLAEWSA-N 0 3 466.585 5.448 1 0 JKAFHN CC[C@@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)c2cc(Cl)cc(Cl)c2NC1=O ZINC000029052520 563093064 /nfs/dbraw/zinc/09/30/64/563093064.db2.gz VNLFLMFHMDJXGU-XMMPIXPASA-N 0 3 480.867 6.239 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccc4ccccc43)cc1)CC2 ZINC000029063557 563094088 /nfs/dbraw/zinc/09/40/88/563094088.db2.gz IEXXWWLIVDRJDC-UHFFFAOYSA-N 0 3 466.581 5.710 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccc(Br)c3)cc1)CC2 ZINC000029063866 563094105 /nfs/dbraw/zinc/09/41/05/563094105.db2.gz MCBGDRCVFPXMCN-UHFFFAOYSA-N 0 3 495.417 5.319 1 0 JKAFHN O=C1[N-]C(=O)c2c1c1c(cc2-c2ccccc2Cl)[nH]c2cc(CCCC[NH+]3CCCC3)c(O)cc21 ZINC000029126937 563095356 /nfs/dbraw/zinc/09/53/56/563095356.db2.gz YBBYEUMFVCYTJT-UHFFFAOYSA-N 0 3 487.987 5.649 1 0 JKAFHN C[NH+](C)CCCCc1cc2[nH]c3cc(-c4ccccc4Cl)c4c(c3c2cc1O)C(=O)[N-]C4=O ZINC000029126992 563095411 /nfs/dbraw/zinc/09/54/11/563095411.db2.gz CWXCDIQIRXEVOH-UHFFFAOYSA-N 0 3 461.949 5.115 1 0 JKAFHN Fc1ccc(C[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(Cc2ccccc2)C3)cc1 ZINC000029128121 563096066 /nfs/dbraw/zinc/09/60/66/563096066.db2.gz WFSIGTBJUNJKRG-SSEXGKCCSA-N 0 3 467.563 6.225 1 0 JKAFHN COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccccn1)CC2 ZINC000029133666 563097651 /nfs/dbraw/zinc/09/76/51/563097651.db2.gz ALWYLDGQXRIBHM-UHFFFAOYSA-N 0 3 471.601 5.401 1 0 JKAFHN COc1cc(CN(CCNc2ccnc3cc(Cl)ccc32)C(C)C)c(OC)c2ccccc12 ZINC000029134947 563098005 /nfs/dbraw/zinc/09/80/05/563098005.db2.gz ZOTAZHDSXJLRQN-UHFFFAOYSA-N 0 3 464.009 6.381 1 0 JKAFHN COc1cc(CN(CCNc2ccnc3cc(Cl)ccc32)CC(C)C)c(OC)c2ccccc12 ZINC000029134779 563098035 /nfs/dbraw/zinc/09/80/35/563098035.db2.gz WJSWMCSBBCRPBP-UHFFFAOYSA-N 0 3 478.036 6.629 1 0 JKAFHN CCN1CCC[C@@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3c(Cl)cc(Cl)cc23)C1 ZINC000029204537 563098292 /nfs/dbraw/zinc/09/82/92/563098292.db2.gz OTPHMFXLNJFYSM-CQSZACIVSA-N 0 3 485.246 6.883 1 0 JKAFHN CCN1CCC[C@@H](Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3cc(Cl)ccc32)C1 ZINC000029205800 563098390 /nfs/dbraw/zinc/09/83/90/563098390.db2.gz WCHAKXVGHFWGGI-OAHLLOKOSA-N 0 3 450.801 6.230 1 0 JKAFHN O[C@@H]1CNC[C@H](OCc2ccc3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2)cc1 ZINC000029209061 563098502 /nfs/dbraw/zinc/09/85/02/563098502.db2.gz WQXFNPSHIWXABP-RTOKGZNSSA-N 0 3 497.635 5.459 1 0 JKAFHN Cc1ccc(/C=C2\CSC[C@@H]3C2=NN(CCCN2CCN(C)CC2)[C@H]3c2ccc(C)cc2)cc1 ZINC000029308599 563099758 /nfs/dbraw/zinc/09/97/58/563099758.db2.gz YWGAQRBVSIMYTD-PYWHIAENSA-N 0 3 474.718 5.100 1 0 JKAFHN COc1ccc(CN[C@H](CCSC)CNC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000029487342 563105698 /nfs/dbraw/zinc/10/56/98/563105698.db2.gz OYXPEMWTOBDRGC-OAQYLSRUSA-N 0 3 457.684 5.975 1 0 JKAFHN O[C@H](CCCN1CCC(N(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000029555261 563106525 /nfs/dbraw/zinc/10/65/25/563106525.db2.gz JJPYMIFWTYGEOO-HHHXNRCGSA-N 0 3 454.536 6.220 1 0 JKAFHN O=C(CCCN1CCC(N(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000029558553 563106795 /nfs/dbraw/zinc/10/67/95/563106795.db2.gz KGQDTMJKTDWTGC-UHFFFAOYSA-N 0 3 452.520 6.370 1 0 JKAFHN CCC(=O)C1CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029561597 563107083 /nfs/dbraw/zinc/10/70/83/563107083.db2.gz FDCLRKXPPRFSKU-JOCHJYFZSA-N 0 3 475.460 5.930 1 0 JKAFHN COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1OC ZINC000029562672 563107159 /nfs/dbraw/zinc/10/71/59/563107159.db2.gz ZUBVETSBKYKTPS-UHFFFAOYSA-N 0 3 488.607 5.360 1 0 JKAFHN Fc1ccc(Cn2c3ccccc3nc2NC2CCN(CCCNc3ccccc3)CC2)cc1 ZINC000029566916 563107481 /nfs/dbraw/zinc/10/74/81/563107481.db2.gz ZODFEUDRJPYKLM-UHFFFAOYSA-N 0 3 457.597 5.602 1 0 JKAFHN CC(C)N(c1nc2ccccc2n1Cc1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000029567602 563107536 /nfs/dbraw/zinc/10/75/36/563107536.db2.gz LQNKDCCWFSXQIB-UHFFFAOYSA-N 0 3 452.646 6.007 1 0 JKAFHN COc1ccc(Cn2c3ccccc3nc2N(C)C2CCN(CCc3ccccc3)CC2)cc1 ZINC000029567679 563107538 /nfs/dbraw/zinc/10/75/38/563107538.db2.gz LJIGDNQWYMPZBX-UHFFFAOYSA-N 0 3 454.618 5.237 1 0 JKAFHN c1ccc(CCN(Cc2ccc(CNCc3ccccn3)cc2)[C@H]2CCCc3cccnc32)nc1 ZINC000033974909 563111471 /nfs/dbraw/zinc/11/14/71/563111471.db2.gz MXYQOQASCBNUDZ-LJAQVGFWSA-N 0 3 463.629 5.284 1 0 JKAFHN COc1ccc2c(c1)OCCC1=C2[C@@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21 ZINC000033990879 563111582 /nfs/dbraw/zinc/11/15/82/563111582.db2.gz BHYFKQDXXVAJEL-WJOKGBTCSA-N 0 3 499.607 6.093 1 0 in-vivo JKAFHN CN1CCN(c2ccnc3ccc(NC(=O)Cc4ccc(Br)c5ccccc45)cc32)CC1 ZINC000034025561 563111744 /nfs/dbraw/zinc/11/17/44/563111744.db2.gz CVZFXSVXUCBHLC-UHFFFAOYSA-N 0 3 489.417 5.084 1 0 JKAFHN CCc1nc2c(nc(C)cc2C)n1Cc1ccc2c(c1)CCc1cc(CN3CCN(C)CC3)ccc1N2 ZINC000034038430 563111906 /nfs/dbraw/zinc/11/19/06/563111906.db2.gz INKZQGYAHPSKHM-UHFFFAOYSA-N 0 3 494.687 5.248 1 0 JKAFHN O=c1oc2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000034245340 563112722 /nfs/dbraw/zinc/11/27/22/563112722.db2.gz QVHACLVZKFBMLI-UHFFFAOYSA-N 0 3 462.540 6.122 1 0 JKAFHN CC(=O)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000034289865 563112895 /nfs/dbraw/zinc/11/28/95/563112895.db2.gz DIRRXRQEQQIFRS-UHFFFAOYSA-N 0 3 479.567 5.584 1 0 JKAFHN CN(C)CCS[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804115 563116388 /nfs/dbraw/zinc/11/63/88/563116388.db2.gz ALCHXFSAGPIQMB-SFHVURJKSA-N 0 3 464.475 5.377 1 0 JKAFHN O=C(Nc1cccc(F)c1)Nc1cc(C(=O)NCCN2CCCC2)ccc1Oc1cccc(F)c1 ZINC000035952906 563121553 /nfs/dbraw/zinc/12/15/53/563121553.db2.gz QXGAUBMIKBEJAL-UHFFFAOYSA-N 0 3 480.515 5.227 1 0 JKAFHN Cc1cc(-c2cc([O-])ccc2Cl)cc2nnc(Nc3cccc(SCC[NH+]4CCCC4)c3)nc12 ZINC000035974801 563121598 /nfs/dbraw/zinc/12/15/98/563121598.db2.gz ZJXBZUSLTVQPRP-UHFFFAOYSA-N 0 3 492.048 6.291 1 0 JKAFHN FC(F)(F)c1cccc(N2CCN(CCCCNc3nc(-c4ccccc4)cs3)CC2)c1 ZINC000035974105 563121635 /nfs/dbraw/zinc/12/16/35/563121635.db2.gz ZZWMQJQCXDWUTD-UHFFFAOYSA-N 0 3 460.569 5.843 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2ccccc2)n1 ZINC000036160905 563123045 /nfs/dbraw/zinc/12/30/45/563123045.db2.gz WRGHDZUIUGKOIV-UHFFFAOYSA-N 0 3 452.537 5.271 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(N(C)Cc2ccccc2)n1 ZINC000036161117 563123055 /nfs/dbraw/zinc/12/30/55/563123055.db2.gz LTUUQWYPGMMJAR-UHFFFAOYSA-N 0 3 466.564 5.295 1 0 JKAFHN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(CN3CCCCC3)cn2)c(F)c1 ZINC000036161618 563123143 /nfs/dbraw/zinc/12/31/43/563123143.db2.gz KEMOJWDVPZPBAS-UHFFFAOYSA-N 0 3 451.517 5.411 1 0 JKAFHN CN(Cc1cccc2cc(CN3CCCCC3)cnc21)C(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000036270586 563125160 /nfs/dbraw/zinc/12/51/60/563125160.db2.gz HBTCWVBUPLVVNX-UHFFFAOYSA-N 0 3 467.588 6.299 1 0 JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccccc2Cl)CC1 ZINC000036285392 563125273 /nfs/dbraw/zinc/12/52/73/563125273.db2.gz NEKUKOQIJAPXFW-QFIPXVFZSA-N 0 3 481.990 5.686 1 0 JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000036285696 563125280 /nfs/dbraw/zinc/12/52/80/563125280.db2.gz WIXIPZDYGHCQEX-QHCPKHFHSA-N 0 3 486.582 5.514 1 0 JKAFHN CC(C)C[C@H](N)c1cc(Cl)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000036285938 563125352 /nfs/dbraw/zinc/12/53/52/563125352.db2.gz IJTWLYFEGPNSFB-MBSDFSHPSA-N 0 3 462.465 5.567 1 0 JKAFHN CN(CC(N)=O)C[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324280 563125774 /nfs/dbraw/zinc/12/57/74/563125774.db2.gz GZGUANKWGWEJTK-XJABCFGWSA-N 0 3 488.472 5.220 1 0 JKAFHN CCCCc1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000036351456 563126879 /nfs/dbraw/zinc/12/68/79/563126879.db2.gz QGDPYJHGPFUYJB-UHFFFAOYSA-N 0 3 469.669 6.640 1 0 JKAFHN O=C(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(CC(F)F)cc1 ZINC000036351463 563126887 /nfs/dbraw/zinc/12/68/87/563126887.db2.gz YMMLGNYBWKPZNI-UHFFFAOYSA-N 0 3 477.595 6.105 1 0 JKAFHN Cc1cc(Cl)ccc1-c1ccc2c(c1)occ(-c1ccc(N3CC[C@@H](N(C)C)C3)nc1)c2=O ZINC000036351573 563126966 /nfs/dbraw/zinc/12/69/66/563126966.db2.gz LJMOIBPUAGWTOI-OAQYLSRUSA-N 0 3 459.977 5.624 1 0 JKAFHN CCCc1cc(N2CCCC2)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000036351781 563127097 /nfs/dbraw/zinc/12/70/97/563127097.db2.gz XEVASSAWJSQJLJ-MDWZMJQESA-N 0 3 453.508 6.458 1 0 JKAFHN COc1ccc([C@@H]2C=CCN(CC3CC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388550 563129524 /nfs/dbraw/zinc/12/95/24/563129524.db2.gz LOXGLFHDUZOSOG-XZWHSSHBSA-N 0 3 484.615 5.797 1 0 JKAFHN COc1ccc([C@H]2C=CCN(CC3CC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388554 563129529 /nfs/dbraw/zinc/12/95/29/563129529.db2.gz LOXGLFHDUZOSOG-LOYHVIPDSA-N 0 3 484.615 5.797 1 0 JKAFHN C[C@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc2ccccc21 ZINC000036475999 563130431 /nfs/dbraw/zinc/13/04/31/563130431.db2.gz UEPSXCXDVJJKNJ-PKKBDPGCSA-N 0 3 476.564 5.799 1 0 JKAFHN O=C(NCCCCCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000038140575 563131234 /nfs/dbraw/zinc/13/12/34/563131234.db2.gz NCNZEUCJDCGDDP-LMSSTIIKSA-N 0 3 489.610 6.265 1 0 JKAFHN Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)N(C)c2ccccc2)cc1C ZINC000038211608 563133187 /nfs/dbraw/zinc/13/31/87/563133187.db2.gz LDTSYWQDZCFPED-UHFFFAOYSA-N 0 3 486.616 5.590 1 0 JKAFHN COc1ccc(C(=O)O[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1OC ZINC000038226641 563133390 /nfs/dbraw/zinc/13/33/90/563133390.db2.gz OZGNRFCBGBCSNJ-IZLXSDGUSA-N 0 3 457.570 5.156 1 0 JKAFHN Cc1c2cc(O)ccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1-c1ccc(C)cc1 ZINC000038380417 563134039 /nfs/dbraw/zinc/13/40/39/563134039.db2.gz UWLYKIFSJQWOHY-UHFFFAOYSA-N 0 3 454.614 6.544 1 0 JKAFHN C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](C(N)=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000038390355 563134295 /nfs/dbraw/zinc/13/42/95/563134295.db2.gz FWQQPWRIPPMKHB-LRAJWGHMSA-N 0 3 474.445 5.182 1 0 JKAFHN CCOc1ccc(-c2c(C)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000038473075 563134749 /nfs/dbraw/zinc/13/47/49/563134749.db2.gz CFBVBWXVYLXPJE-UHFFFAOYSA-N 0 3 484.640 6.634 1 0 JKAFHN O=C(Nc1ccccc1OC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)C1CCC1 ZINC000038473705 563134777 /nfs/dbraw/zinc/13/47/77/563134777.db2.gz FAPBWZUNGKHHJO-SFHVURJKSA-N 0 3 493.431 5.015 1 0 JKAFHN C[C@H](Nc1cc(-c2sc(C3CCN(C)CC3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000038748725 563135390 /nfs/dbraw/zinc/13/53/90/563135390.db2.gz HJEPFPDXSFKWQH-IBGZPJMESA-N 0 3 472.633 6.994 1 0 JKAFHN CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)[C@H](c1ccccc1)c1ccc(F)c(F)c1 ZINC000038803670 563135536 /nfs/dbraw/zinc/13/55/36/563135536.db2.gz IOVSXXYNGKBAID-MUUNZHRXSA-N 0 3 490.594 5.467 1 0 JKAFHN CC(=O)Nc1ccc(CN2CCC3(CC2)C(NC2CCCCC2)=NC(=O)N3c2cccc(F)c2)cc1 ZINC000039470958 563136810 /nfs/dbraw/zinc/13/68/10/563136810.db2.gz VXIOVOURIXSOTD-UHFFFAOYSA-N 0 3 491.611 5.080 1 0 in-vitro JKAFHN COc1cccc(CCc2ccccc2OCCCCN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000040380712 563137673 /nfs/dbraw/zinc/13/76/73/563137673.db2.gz DTCOBDNXWXNEKW-UHFFFAOYSA-N 0 3 462.609 5.601 1 0 in-vitro JKAFHN CCN(C(=O)Cc1ccc(C)cc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040394067 563138656 /nfs/dbraw/zinc/13/86/56/563138656.db2.gz DJELOVCIKWYXEF-OUTSHDOLSA-N 0 3 489.704 5.287 1 0 JKAFHN CCNC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040395472 563139192 /nfs/dbraw/zinc/13/91/92/563139192.db2.gz AXCDKMXPAYZRJH-UXPFIZAPSA-N 0 3 493.478 6.784 1 0 JKAFHN CCCCN(Cc1ccc(Cl)cc1Cl)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040406327 563140160 /nfs/dbraw/zinc/14/01/60/563140160.db2.gz CWZQLYMLTJJQRQ-JOCHJYFZSA-N 0 3 469.363 5.053 1 0 JKAFHN Cc1cc(C(=O)Nc2ccc(CN(C)C)cc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000040420251 563141243 /nfs/dbraw/zinc/14/12/43/563141243.db2.gz IWEFPXABHHMXGD-UHFFFAOYSA-N 0 3 489.019 5.786 1 0 JKAFHN CN(CCCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000040422425 563141865 /nfs/dbraw/zinc/14/18/65/563141865.db2.gz VXYWTGBBIISAIW-UHFFFAOYSA-N 0 3 455.404 7.531 1 0 JKAFHN O=C([O-])C[N@@H+]1CCC2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040423824 563142551 /nfs/dbraw/zinc/14/25/51/563142551.db2.gz UAXDXLJUUCRWEF-URYVUTJFSA-N 0 3 487.471 6.038 1 0 JKAFHN O=C([O-])C[N@H+]1CCC2(N3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040423824 563142553 /nfs/dbraw/zinc/14/25/53/563142553.db2.gz UAXDXLJUUCRWEF-URYVUTJFSA-N 0 3 487.471 6.038 1 0 JKAFHN CN(C)C[C@@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1ccccc1Cl ZINC000040467016 563144387 /nfs/dbraw/zinc/14/43/87/563144387.db2.gz NTECLFCOKFHXBK-OAQYLSRUSA-N 0 3 476.411 5.619 1 0 JKAFHN CC(=O)Cc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040504819 563144796 /nfs/dbraw/zinc/14/47/96/563144796.db2.gz RGJLRUSEXVATEQ-UHFFFAOYSA-N 0 3 493.594 5.513 1 0 JKAFHN CCC(=O)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040505523 563144899 /nfs/dbraw/zinc/14/48/99/563144899.db2.gz LJQMQRJWYCVHDU-UHFFFAOYSA-N 0 3 493.594 5.975 1 0 JKAFHN COc1ccc(N2CC=C(c3cccc(C(F)(F)F)c3)C2=O)cc1OCCN1CCCCC1 ZINC000040566965 563145943 /nfs/dbraw/zinc/14/59/43/563145943.db2.gz JNVKKGBLLXCMIG-UHFFFAOYSA-N 0 3 460.496 5.009 1 0 JKAFHN COc1ccc(N2CC=C(c3ccc(C(F)(F)F)cc3)C2=O)cc1OCCN1CCCCC1 ZINC000040567286 563146044 /nfs/dbraw/zinc/14/60/44/563146044.db2.gz IXRKOSBWZWRRSL-UHFFFAOYSA-N 0 3 460.496 5.009 1 0 JKAFHN COc1ccc(/C=C2\C[C@H](c3ccc(OCCN4CCCCC4)cc3)Oc3cc(OC)ccc32)cc1 ZINC000040577136 563146601 /nfs/dbraw/zinc/14/66/01/563146601.db2.gz QHBIIAOFKNJKOJ-SWDMIKTHSA-N 0 3 485.624 6.633 1 0 JKAFHN COc1ccc(/C=C2\C[C@@H](c3ccc(OCCN4CCCC4)cc3)Oc3cc(OC)ccc32)cc1 ZINC000040584639 563146690 /nfs/dbraw/zinc/14/66/90/563146690.db2.gz QVMXSRNETSBGSK-MYRMHSLDSA-N 0 3 471.597 6.243 1 0 JKAFHN Cc1c(C(=O)NCCN(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040640851 563147291 /nfs/dbraw/zinc/14/72/91/563147291.db2.gz VHDXCGPCIAFVQR-UHFFFAOYSA-N 0 3 451.785 5.099 1 0 JKAFHN C[C@@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc21 ZINC000040762352 563147830 /nfs/dbraw/zinc/14/78/30/563147830.db2.gz ULFCONGTFKAEBS-UOKFIYJESA-N 0 3 476.564 5.799 1 0 in-vitro JKAFHN CN(C)[C@H]1CCN(c2ccc(-c3coc4cc(Oc5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1 ZINC000040764178 563148145 /nfs/dbraw/zinc/14/81/45/563148145.db2.gz PRJIEHATVHIXJX-IBGZPJMESA-N 0 3 495.501 5.806 1 0 JKAFHN CN(C)[C@@H]1CCN(c2ccc(-c3coc4cc(Oc5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1 ZINC000040764177 563148167 /nfs/dbraw/zinc/14/81/67/563148167.db2.gz PRJIEHATVHIXJX-LJQANCHMSA-N 0 3 495.501 5.806 1 0 JKAFHN CC(=O)Nc1ccc(N2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000040764301 563148286 /nfs/dbraw/zinc/14/82/86/563148286.db2.gz DNTAGIKAURJNKZ-FQEVSTJZSA-N 0 3 490.431 5.337 1 0 JKAFHN Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)Oc2ccccc2)cc1C ZINC000040764420 563148370 /nfs/dbraw/zinc/14/83/70/563148370.db2.gz QAGQATKSRHKVBL-UHFFFAOYSA-N 0 3 473.573 5.532 1 0 JKAFHN CCN(C(=O)c1ccc(F)cc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040863477 563150597 /nfs/dbraw/zinc/15/05/97/563150597.db2.gz ROMDHEDAKJAJKM-ZBLYBZFDSA-N 0 3 479.640 5.188 1 0 JKAFHN COc1cccc(CCc2ccccc2OCCCCN2CCN(c3ccccc3OC)CC2)c1 ZINC000040864286 563150761 /nfs/dbraw/zinc/15/07/61/563150761.db2.gz HPZUBMVVAGACEL-UHFFFAOYSA-N 0 3 474.645 5.470 1 0 in-vitro JKAFHN Cc1c(CN(C)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040878195 563152693 /nfs/dbraw/zinc/15/26/93/563152693.db2.gz NTBRKSXVJYORIA-UHFFFAOYSA-N 0 3 462.852 7.572 1 0 JKAFHN c1ccc(OCCNc2ccccc2[C@H]2c3ccccc3CCN2CCOc2ccccc2)cc1 ZINC000040891726 563153073 /nfs/dbraw/zinc/15/30/73/563153073.db2.gz OWMAMEQPYBFVPK-WJOKGBTCSA-N 0 3 464.609 6.204 1 0 JKAFHN O=C1N(CC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 ZINC000040899896 563154642 /nfs/dbraw/zinc/15/46/42/563154642.db2.gz KBHDMWWWVBHMBD-UHFFFAOYSA-N 0 3 493.695 6.497 1 0 JKAFHN COc1cc2c(cc1NCCN1CCCCC1)ncc(C(N)=O)c2Nc1cccc(Cl)c1Cl ZINC000040936700 563158143 /nfs/dbraw/zinc/15/81/43/563158143.db2.gz NNDMHMSQYKEBHL-UHFFFAOYSA-N 0 3 488.419 5.291 1 0 JKAFHN COc1ccc2nccc(N[C@@H](c3ccc(CN4CCOCC4)cc3)c3cccc(Cl)c3)c2c1 ZINC000040955358 563160696 /nfs/dbraw/zinc/16/06/96/563160696.db2.gz ALEMYDUCQFOTCW-NDEPHWFRSA-N 0 3 474.004 5.931 1 0 JKAFHN O=c1oc(-c2ccc(OCCN3CCCCC3)cc2)cc(-c2ccccc2)c1-c1ccccc1 ZINC000040974393 563161725 /nfs/dbraw/zinc/16/17/25/563161725.db2.gz OIZUDULNRUGCAH-UHFFFAOYSA-N 0 3 451.566 6.506 1 0 JKAFHN COc1ccc(-c2cc(-c3ccccc3)oc(=O)c2-c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000040975350 563161876 /nfs/dbraw/zinc/16/18/76/563161876.db2.gz NVYDCSSNJNOZFR-UHFFFAOYSA-N 0 3 481.592 6.514 1 0 JKAFHN COc1cccc(CCc2ccccc2OCCCCCN2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000042878089 563163107 /nfs/dbraw/zinc/16/31/07/563163107.db2.gz UZHJKQAEGCHEJR-UHFFFAOYSA-N 0 3 489.656 6.105 1 0 JKAFHN O=C([O-])[C@@H](c1ccccc1)N1CCC[C@H](C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000042893666 563163646 /nfs/dbraw/zinc/16/36/46/563163646.db2.gz FLDDBSYUKQDTDX-HOYKHHGWSA-N 0 3 477.432 5.375 1 0 JKAFHN C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(Cl)cc1 ZINC000042965036 563163859 /nfs/dbraw/zinc/16/38/59/563163859.db2.gz JPFPCRQLYBJTOX-HXUWFJFHSA-N 0 3 491.031 6.014 1 0 JKAFHN c1c2ccc(C3=NCCN3)cc2oc1-c1cccc(OCCCCCCOc2ccccc2)c1 ZINC000043015662 563164502 /nfs/dbraw/zinc/16/45/02/563164502.db2.gz YNYNCQYHXWXJGH-UHFFFAOYSA-N 0 3 454.570 6.468 1 0 JKAFHN FCCn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043015783 563164529 /nfs/dbraw/zinc/16/45/29/563164529.db2.gz UCJJNWLERDLDDF-UHFFFAOYSA-N 0 3 466.815 7.179 1 0 JKAFHN C[C@@H](NC(=O)c1ccc(C=C2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Br)cc1 ZINC000043022594 563165157 /nfs/dbraw/zinc/16/51/57/563165157.db2.gz DAWKIVTZURXEJP-OAQYLSRUSA-N 0 3 489.457 6.620 1 0 JKAFHN COc1cc(OC)c(OC)cc1CN1CCC[C@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000043041493 563165458 /nfs/dbraw/zinc/16/54/58/563165458.db2.gz YCFHNXBBJUSNJO-KRWDZBQOSA-N 0 3 475.511 5.501 1 0 JKAFHN C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2ccc(s2)COC/1 ZINC000043153644 563168045 /nfs/dbraw/zinc/16/80/45/563168045.db2.gz HXETYVYQZULBML-ONEGZZNKSA-N 0 3 478.618 5.026 1 0 JKAFHN Fc1ccc2nc(-c3cccc(-c4cccc(CN5CCN(c6cnccn6)CC5)c4)c3)[nH]c2c1 ZINC000045167170 563172997 /nfs/dbraw/zinc/17/29/97/563172997.db2.gz DJQLYRGZVHKBPB-UHFFFAOYSA-N 0 3 464.548 5.148 1 0 JKAFHN CCOc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000045167361 563173135 /nfs/dbraw/zinc/17/31/35/563173135.db2.gz AWQIYOVPJIEJGI-NRFANRHFSA-N 0 3 474.992 5.286 1 0 JKAFHN FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(CNCc5ccccc5)c4)cc3)nc2c1 ZINC000045167836 563173421 /nfs/dbraw/zinc/17/34/21/563173421.db2.gz JCPFUCULGHUILN-UHFFFAOYSA-N 0 3 457.499 7.206 1 0 JKAFHN CCN(CC[NH+](C)C)Cc1ccc(-c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000045168521 563173803 /nfs/dbraw/zinc/17/38/03/563173803.db2.gz RMCPBBQPCGHAMR-UHFFFAOYSA-N 0 3 472.054 5.191 1 0 JKAFHN CC[N@H+](CCN(C)C)Cc1ccc(-c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000045168521 563173804 /nfs/dbraw/zinc/17/38/04/563173804.db2.gz RMCPBBQPCGHAMR-UHFFFAOYSA-N 0 3 472.054 5.191 1 0 JKAFHN CC[N@@H+](CCN(C)C)Cc1ccc(-c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000045168521 563173805 /nfs/dbraw/zinc/17/38/05/563173805.db2.gz RMCPBBQPCGHAMR-UHFFFAOYSA-N 0 3 472.054 5.191 1 0 JKAFHN COC(=O)c1cccc(CNCc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)c1 ZINC000045168615 563173843 /nfs/dbraw/zinc/17/38/43/563173843.db2.gz GTBQWJMMZVMCTN-UHFFFAOYSA-N 0 3 465.528 6.112 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3cccnc3)CC2)c1)c1cc2ccccc2s1 ZINC000045168904 563173949 /nfs/dbraw/zinc/17/39/49/563173949.db2.gz ITDKGNNEJUDDMM-UHFFFAOYSA-N 0 3 456.615 5.257 1 0 JKAFHN CN(C)CCOc1ccc(/C(=C(/CCCn2ccnc2)c2ccccc2)c2ccc(O)cc2)cc1 ZINC000045187709 563174524 /nfs/dbraw/zinc/17/45/24/563174524.db2.gz MICACQALYOKMNS-FLWNBWAVSA-N 0 3 467.613 5.969 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3cccc(O)c3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045187905 563174612 /nfs/dbraw/zinc/17/46/12/563174612.db2.gz KUODGWPCFNMVJO-UHFFFAOYSA-N 0 3 484.427 5.659 1 0 JKAFHN C[C@H]1CN(c2ccc3occ(C(=O)Nc4ccc(-c5ccncc5)c(Cl)c4)c3c2)C[C@H](C)N1C ZINC000045187762 563174634 /nfs/dbraw/zinc/17/46/34/563174634.db2.gz ASTBAAJNISQQSR-ROUUACIJSA-N 0 3 474.992 5.929 1 0 JKAFHN COc1ccccc1Nc1nc(NC2CCN(C)CC2)cc(-c2cccc(C(F)(F)F)c2)n1 ZINC000045188061 563174751 /nfs/dbraw/zinc/17/47/51/563174751.db2.gz FKGGMFMCWCEKBE-UHFFFAOYSA-N 0 3 457.500 5.421 1 0 JKAFHN c1ccc(-c2cc(NCCCCNc3cc(-c4ccccc4)nc4ccccc43)c3ccccc3n2)cc1 ZINC000045188584 563174955 /nfs/dbraw/zinc/17/49/55/563174955.db2.gz FNYTYGMKXFYOIH-UHFFFAOYSA-N 0 3 494.642 8.421 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccsc3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045189263 563175166 /nfs/dbraw/zinc/17/51/66/563175166.db2.gz QBDJGIGLCREUME-UHFFFAOYSA-N 0 3 474.457 6.015 1 0 JKAFHN Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)c2)c1 ZINC000045190188 563175538 /nfs/dbraw/zinc/17/55/38/563175538.db2.gz INPGXAZQBNJVIB-UHFFFAOYSA-N 0 3 498.630 7.767 1 0 JKAFHN Cc1cccc2[nH]c(-c3ccc(-c4ccc(NC(=O)[C@@H](C)CN5CCN(C)CC5)cc4)s3)nc21 ZINC000045191434 563175834 /nfs/dbraw/zinc/17/58/34/563175834.db2.gz FIPNPIXGSYHJAY-IBGZPJMESA-N 0 3 473.646 5.089 1 0 JKAFHN Cc1cccc2nc(-c3ccc(-c4ccc(NC(=O)[C@@H](C)CN5CCN(C)CC5)cc4)s3)[nH]c21 ZINC000045191434 563175835 /nfs/dbraw/zinc/17/58/35/563175835.db2.gz FIPNPIXGSYHJAY-IBGZPJMESA-N 0 3 473.646 5.089 1 0 JKAFHN COc1ccc(CNCc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)cc1 ZINC000045191487 563175929 /nfs/dbraw/zinc/17/59/29/563175929.db2.gz JGELAEPILUTQJG-UHFFFAOYSA-N 0 3 487.525 7.214 1 0 JKAFHN CC(C)c1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4ccc(N(C)C)cc4)cs3)C2)cc1 ZINC000045192797 563176569 /nfs/dbraw/zinc/17/65/69/563176569.db2.gz LUHZETXPQXBRHR-QFIPXVFZSA-N 0 3 461.675 5.856 1 0 JKAFHN Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045193699 563176735 /nfs/dbraw/zinc/17/67/35/563176735.db2.gz YDQWKLGSYANYIN-UHFFFAOYSA-N 0 3 490.632 7.520 1 0 JKAFHN FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccc(CNCc5ccccc5)cc4)c3)nc2c1 ZINC000045195071 563177266 /nfs/dbraw/zinc/17/72/66/563177266.db2.gz XALQJAASMPODGR-UHFFFAOYSA-N 0 3 457.499 7.206 1 0 JKAFHN OCCN1CCN(Cc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)CC1 ZINC000045194844 563177297 /nfs/dbraw/zinc/17/72/97/563177297.db2.gz RKYLSMWIKCMBFJ-UHFFFAOYSA-N 0 3 480.534 5.026 1 0 JKAFHN OCCN1CCN(Cc2ccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)CC1 ZINC000045194844 563177299 /nfs/dbraw/zinc/17/72/99/563177299.db2.gz RKYLSMWIKCMBFJ-UHFFFAOYSA-N 0 3 480.534 5.026 1 0 JKAFHN CC(C)Oc1ccccc1-c1csc(C(=O)NC[C@@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C2)c1 ZINC000045195188 563177453 /nfs/dbraw/zinc/17/74/53/563177453.db2.gz ZDKVTSLJTWAGLE-QHCPKHFHSA-N 0 3 490.713 6.752 1 0 JKAFHN O=C(NCCN1CCCC1)c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045195500 563177559 /nfs/dbraw/zinc/17/75/59/563177559.db2.gz JGTZASBALXQWDI-UHFFFAOYSA-N 0 3 484.547 5.803 1 0 JKAFHN O=C(NCCN1CCCC1)c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1 ZINC000045195500 563177561 /nfs/dbraw/zinc/17/75/61/563177561.db2.gz JGTZASBALXQWDI-UHFFFAOYSA-N 0 3 484.547 5.803 1 0 JKAFHN C[N@H+](Cc1ccncc1)[C@H](Cc1ccccc1)C1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000045202339 563178744 /nfs/dbraw/zinc/17/87/44/563178744.db2.gz ZNRYLXQDUNYDAC-AREMUKBSSA-N 0 3 450.026 5.396 1 0 JKAFHN C[N@@H+](Cc1ccncc1)[C@H](Cc1ccccc1)C1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000045202339 563178748 /nfs/dbraw/zinc/17/87/48/563178748.db2.gz ZNRYLXQDUNYDAC-AREMUKBSSA-N 0 3 450.026 5.396 1 0 JKAFHN O=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045227043 563179946 /nfs/dbraw/zinc/17/99/46/563179946.db2.gz VJWMDJQLHFMUKB-UHFFFAOYSA-N 0 3 478.518 5.741 1 0 JKAFHN O=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000045227043 563179947 /nfs/dbraw/zinc/17/99/47/563179947.db2.gz VJWMDJQLHFMUKB-UHFFFAOYSA-N 0 3 478.518 5.741 1 0 JKAFHN c1ccc(Oc2ccc(Nc3ccnc(Nc4ccc(OCCN5CCCCC5)cc4)n3)cc2)cc1 ZINC000045227256 563180008 /nfs/dbraw/zinc/18/00/08/563180008.db2.gz UDAPHCGANLGPSK-UHFFFAOYSA-N 0 3 481.600 6.621 1 0 JKAFHN CC(C)(C)OC(=O)[C@H]1CCCN(Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)C1 ZINC000045229927 563180938 /nfs/dbraw/zinc/18/09/38/563180938.db2.gz ISEWOCHSSCVVNI-VWLOTQADSA-N 0 3 467.613 6.451 1 0 JKAFHN CSCCCN1CCC(O)(c2ccc3oc(C(=O)Nc4ccc5sc(C)nc5c4)cc3c2)CC1 ZINC000045229675 563180948 /nfs/dbraw/zinc/18/09/48/563180948.db2.gz XWPLTXHVRSXJQJ-UHFFFAOYSA-N 0 3 495.670 5.640 1 0 JKAFHN O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000045230263 563181114 /nfs/dbraw/zinc/18/11/14/563181114.db2.gz SKFSMMGTIFVDGS-UHFFFAOYSA-N 0 3 451.973 5.439 1 0 JKAFHN Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)[C@@H](C)CN5CCN(C)CC5)c4)c3)nc21 ZINC000045230040 563181134 /nfs/dbraw/zinc/18/11/34/563181134.db2.gz SDQKNXPESRXBSL-NRFANRHFSA-N 0 3 467.617 5.027 1 0 JKAFHN Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)[C@@H](C)CN5CCN(C)CC5)c4)c3)[nH]c21 ZINC000045230040 563181136 /nfs/dbraw/zinc/18/11/36/563181136.db2.gz SDQKNXPESRXBSL-NRFANRHFSA-N 0 3 467.617 5.027 1 0 JKAFHN Cc1ccc(CN2CCCN(Cc3cccc(NC(=O)c4cc5ccccc5s4)c3)CC2)cc1 ZINC000045230932 563181287 /nfs/dbraw/zinc/18/12/87/563181287.db2.gz VSUJZRLJYFMKEJ-UHFFFAOYSA-N 0 3 469.654 6.170 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccc3)CC2)cc1 ZINC000045256141 563182707 /nfs/dbraw/zinc/18/27/07/563182707.db2.gz MCUUCGRZCLOQAB-UHFFFAOYSA-N 0 3 471.645 5.719 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cccs3)CC2)cc1 ZINC000045259541 563183019 /nfs/dbraw/zinc/18/30/19/563183019.db2.gz BBKZREMGMNWSDD-UHFFFAOYSA-N 0 3 477.674 5.781 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc([C@@H](C)O)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045284690 563183719 /nfs/dbraw/zinc/18/37/19/563183719.db2.gz DBFHDFUSJJCBCW-XMMPIXPASA-N 0 3 485.672 6.025 1 0 JKAFHN CN1CCN(Cc2cccc(-c3ccc4c(c3)nccc4Nc3ccc(F)cc3Cl)c2)CC1 ZINC000045301208 563185684 /nfs/dbraw/zinc/18/56/84/563185684.db2.gz YRFLLQLCTCSZIN-UHFFFAOYSA-N 0 3 460.984 6.185 1 0 JKAFHN CC(C)(C)c1ccc(NC(=O)c2cccc(CN3CCCN(Cc4ccsc4)CC3)c2)cc1 ZINC000045302294 563186244 /nfs/dbraw/zinc/18/62/44/563186244.db2.gz MKRXIGKZEUMERO-UHFFFAOYSA-N 0 3 461.675 6.006 1 0 JKAFHN COc1ccc(Nc2nc(NC3CCN(Cc4ccccc4)CC3)cc(-c3ccncc3)n2)cc1 ZINC000045302341 563186308 /nfs/dbraw/zinc/18/63/08/563186308.db2.gz XRMASEIFJFBDMD-UHFFFAOYSA-N 0 3 466.589 5.367 1 0 JKAFHN Fc1cc(Cl)ccc1Nc1ccnc2cc(-c3ccc(CNCCN4CCOCC4)o3)ccc21 ZINC000045302494 563186434 /nfs/dbraw/zinc/18/64/34/563186434.db2.gz TUVYDGBNNXJMHB-UHFFFAOYSA-N 0 3 480.971 5.453 1 0 JKAFHN CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC[N@@H+](Cc2c[nH]c4cnccc24)CC3)cc1 ZINC000045302578 563186487 /nfs/dbraw/zinc/18/64/87/563186487.db2.gz QPGRWYNLBMMVLV-UHFFFAOYSA-N 0 3 488.657 5.307 1 0 JKAFHN CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC[N@H+](Cc2c[nH]c4cnccc24)CC3)cc1 ZINC000045302578 563186489 /nfs/dbraw/zinc/18/64/89/563186489.db2.gz QPGRWYNLBMMVLV-UHFFFAOYSA-N 0 3 488.657 5.307 1 0 JKAFHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)s1 ZINC000045302598 563186544 /nfs/dbraw/zinc/18/65/44/563186544.db2.gz ZQNSTVLGNCPBPY-UHFFFAOYSA-N 0 3 485.440 5.993 1 0 JKAFHN CC(C)(C)c1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045302917 563186895 /nfs/dbraw/zinc/18/68/95/563186895.db2.gz DKPJRFQOVSDKBG-HXUWFJFHSA-N 0 3 467.078 6.618 1 0 JKAFHN Nc1cccc(CNCc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)c1 ZINC000045302955 563187001 /nfs/dbraw/zinc/18/70/01/563187001.db2.gz HUGQKEOYKYSHET-UHFFFAOYSA-N 0 3 472.514 6.788 1 0 JKAFHN CCCc1ccc(NC(=O)c2ccc(CN3CCCN(Cc4ccc(OC)cc4)CC3)cc2)cc1 ZINC000045303281 563187198 /nfs/dbraw/zinc/18/71/98/563187198.db2.gz UCQWZVIOGLQPSI-UHFFFAOYSA-N 0 3 471.645 5.608 1 0 JKAFHN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCN(CCCNC(=O)c2cccc(Cl)c2)CC1 ZINC000045303192 563187233 /nfs/dbraw/zinc/18/72/33/563187233.db2.gz YHXULHHCXJVZIC-SOFGYWHQSA-N 0 3 494.850 5.061 1 0 JKAFHN Cc1cccc2[nH]c(-c3cccc(-c4cccc(C(=O)N5CCCC[C@H]5CN5CC[C@H](O)C5)c4)c3)nc21 ZINC000045303288 563187260 /nfs/dbraw/zinc/18/72/60/563187260.db2.gz QSNZZEJFTRZQLY-SVBPBHIXSA-N 0 3 494.639 5.267 1 0 JKAFHN Cc1cccc2nc(-c3cccc(-c4cccc(C(=O)N5CCCC[C@H]5CN5CC[C@H](O)C5)c4)c3)[nH]c21 ZINC000045303288 563187261 /nfs/dbraw/zinc/18/72/61/563187261.db2.gz QSNZZEJFTRZQLY-SVBPBHIXSA-N 0 3 494.639 5.267 1 0 JKAFHN CC(C)N1CCN(c2c3cccc(C(F)(F)F)c3ncc2C2N=NC(=S)N2c2ccccc2)CC1 ZINC000045319153 563187839 /nfs/dbraw/zinc/18/78/39/563187839.db2.gz MSLFNANTHMAWBR-UHFFFAOYSA-N 0 3 498.578 5.320 1 0 JKAFHN O=c1cc(NCCCNCc2ccc(Cl)c(Cl)c2)[nH]c2ccc(Oc3ccccc3)cc12 ZINC000045323987 563189031 /nfs/dbraw/zinc/18/90/31/563189031.db2.gz GLUQODBXLCHMAW-UHFFFAOYSA-N 0 3 468.384 6.219 1 0 JKAFHN COc1ccc(C(=O)[C@H]2C[C@@H]2CN2CC=C(c3c[nH]c4cccc(Br)c43)CC2)cc1 ZINC000045334627 563189445 /nfs/dbraw/zinc/18/94/45/563189445.db2.gz KCWXRCHMZWEHEO-QUCCMNQESA-N 0 3 465.391 5.547 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccc(F)cc3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045334858 563189797 /nfs/dbraw/zinc/18/97/97/563189797.db2.gz DJCCXCJAYLFKJA-UHFFFAOYSA-N 0 3 486.418 6.093 1 0 JKAFHN C[C@H]1C[C@@H](NCCCNc2cc(=O)c3ccccc3[nH]2)c2c1c(Cl)cc(Cl)c2Cl ZINC000045335328 563190025 /nfs/dbraw/zinc/19/00/25/563190025.db2.gz CTPVOQBGROMYPN-YVEFUNNKSA-N 0 3 450.797 6.128 1 0 JKAFHN COC(=O)c1cccc(CNCc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)c1 ZINC000045339317 563191083 /nfs/dbraw/zinc/19/10/83/563191083.db2.gz RPKGMNGPEPYNNX-UHFFFAOYSA-N 0 3 453.567 6.035 1 0 JKAFHN Clc1ccc2c(c1)nccc2NCCCNc1nc(NC2CCCCC2)nc(N2CCCCC2)n1 ZINC000045352976 563192022 /nfs/dbraw/zinc/19/20/22/563192022.db2.gz FSLZCBOHTZWSIV-UHFFFAOYSA-N 0 3 495.075 5.722 1 0 JKAFHN COC(=O)CC[C@H](Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1ccc(Cl)cc1 ZINC000045355683 563192328 /nfs/dbraw/zinc/19/23/28/563192328.db2.gz TUCPVCINIMFUMB-QFIPXVFZSA-N 0 3 479.001 6.579 1 0 JKAFHN COC(=O)C[C@@H](Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1ccc(Cl)cc1 ZINC000045367473 563193249 /nfs/dbraw/zinc/19/32/49/563193249.db2.gz OWPDWZYDCXEQLL-OAQYLSRUSA-N 0 3 464.974 6.189 1 0 JKAFHN O=C(NC1CC1)c1ccc(F)c2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000045484544 563195341 /nfs/dbraw/zinc/19/53/41/563195341.db2.gz KFSYSSDWPKWGAJ-OAQYLSRUSA-N 0 3 479.571 5.129 1 0 in-vitro JKAFHN COc1ccc(CCCN2CCC(N(CCc3ccc(Cl)cc3)C(=O)c3ccccc3)CC2)cc1 ZINC000045497082 563195946 /nfs/dbraw/zinc/19/59/46/563195946.db2.gz FEIPOPDWQMTEKS-UHFFFAOYSA-N 0 3 491.075 6.131 1 0 JKAFHN c1ccc(-c2cccc(OCCNC[C@@H]3COC(c4ccccc4)(c4ccccc4)O3)c2)cc1 ZINC000049015642 563197275 /nfs/dbraw/zinc/19/72/75/563197275.db2.gz YMKDCAYLGKAORC-GDLZYMKVSA-N 0 3 451.566 5.639 1 0 JKAFHN CCCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C ZINC000049066915 563200743 /nfs/dbraw/zinc/20/07/43/563200743.db2.gz WQKLPFKTOJXMOI-UHFFFAOYSA-N 0 3 484.610 6.824 1 0 JKAFHN COc1cccc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@@H]4C[C@H]3CN4C)cc2)c1 ZINC000049089190 563201831 /nfs/dbraw/zinc/20/18/31/563201831.db2.gz XGUFURVFQMAHHN-DQEYMECFSA-N 0 3 488.595 5.027 1 0 JKAFHN CCCN(CCC1CC1)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000049089543 563201946 /nfs/dbraw/zinc/20/19/46/563201946.db2.gz JFQNIRPUCHLHAK-UHFFFAOYSA-N 0 3 466.979 6.735 1 0 JKAFHN [O-]c1ccc2c(c1)OCCC1=C2[C@H](c2ccc(OCC[NH+]3CCCCCC3)cc2)Oc2ccccc21 ZINC000049112759 563202527 /nfs/dbraw/zinc/20/25/27/563202527.db2.gz XGBCSOIWOMCTLG-HKBQPEDESA-N 0 3 483.608 6.474 1 0 JKAFHN CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)c(F)c3)CC2)CC1 ZINC000053025953 563204999 /nfs/dbraw/zinc/20/49/99/563204999.db2.gz PIKIDBPDYRQPFX-UHFFFAOYSA-N 0 3 472.580 5.007 1 0 JKAFHN CCCc1nc(-c2ccccc2)c(CNCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000053229092 563205266 /nfs/dbraw/zinc/20/52/66/563205266.db2.gz NFFIBKFKGDPAMA-UHFFFAOYSA-N 0 3 472.555 5.225 1 0 JKAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3C[C@H]4C[C@@]4(c4ccccc4)C3)n2C)n1 ZINC000058519295 563206858 /nfs/dbraw/zinc/20/68/58/563206858.db2.gz HMMLWDCQIVJIHP-ZBLYBZFDSA-N 0 3 455.631 5.094 1 0 JKAFHN CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000059796582 563209235 /nfs/dbraw/zinc/20/92/35/563209235.db2.gz TXVNNFDXQZFMBQ-CMWZJFIZSA-N 0 3 464.993 5.915 1 0 JKAFHN Cc1ccc([C@H](NC(=O)C2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c2ccccn2)cc1 ZINC000061902258 563209945 /nfs/dbraw/zinc/20/99/45/563209945.db2.gz FEPYGJAUZYZFGM-HKBQPEDESA-N 0 3 491.635 6.300 3 0 JKAFHN Cc1cccnc1[C@@H](NC(=O)C1CCN(Cc2ccc3ccccc3n2)CC1)c1ccc(Cl)cc1 ZINC000061905551 563210369 /nfs/dbraw/zinc/21/03/69/563210369.db2.gz GZFZOISGFAEDKV-NDEPHWFRSA-N 0 3 485.031 5.709 3 0 JKAFHN COc1ccccc1[C@@H](NC(=O)C1CCN(CCOc2ccc3ccccc3c2)CC1)c1ccccn1 ZINC000061906512 563210489 /nfs/dbraw/zinc/21/04/89/563210489.db2.gz SVBACIABTPBUKV-SSEXGKCCSA-N 0 3 495.623 5.240 3 0 JKAFHN COc1ccc(OCCN2CCC(C(=O)N[C@@H](c3ccsc3)c3ccccc3C)CC2)cc1 ZINC000061907416 563210662 /nfs/dbraw/zinc/21/06/62/563210662.db2.gz CXNWGEMAATUFHP-SANMLTNESA-N 0 3 464.631 5.062 3 0 JKAFHN Cc1ccccc1[C@@H](NC(=O)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccsc1 ZINC000061908031 563210726 /nfs/dbraw/zinc/21/07/26/563210726.db2.gz KVMXCFHMVFEEJZ-PMERELPUSA-N 0 3 496.676 6.967 3 0 JKAFHN CN1CC=C(c2csc3ccc(NC(=O)Nc4ccc(-c5ccncc5)c5ccccc45)cc32)CC1 ZINC000000582559 562918039 /nfs/dbraw/zinc/91/80/39/562918039.db2.gz AWQPXVWSIGFFCL-UHFFFAOYSA-N 0 3 490.632 7.479 1 0 JKAFHN COc1ccc(CCN2CCC(C(=O)c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000000597336 562918281 /nfs/dbraw/zinc/91/82/81/562918281.db2.gz DIPBPGRFGZKMEF-UHFFFAOYSA-N 0 3 471.576 5.370 1 0 in-vivo JKAFHN CCC(=O)Oc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000000607377 562918703 /nfs/dbraw/zinc/91/87/03/562918703.db2.gz XUJLVUCHTATJQH-NVQXNPDNSA-N 0 3 489.443 5.462 1 0 JKAFHN CCCC(=O)c1cnc2c(OCCCN(C)Cc3ccccc3)cccc2c1Nc1ccccc1C ZINC000001541164 562920915 /nfs/dbraw/zinc/92/09/15/562920915.db2.gz WLZLPWBTCBRFBI-UHFFFAOYSA-N 0 3 481.640 7.171 1 0 JKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccsc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000001545575 562921074 /nfs/dbraw/zinc/92/10/74/562921074.db2.gz KEKHZWOZKXXXOM-UHFFFAOYSA-N 0 3 463.624 6.431 1 0 JKAFHN Cc1c(C(=O)c2ncccc2C(F)(F)F)oc2cccc(OCCCNCc3cccnc3)c12 ZINC000003588093 562927274 /nfs/dbraw/zinc/92/72/74/562927274.db2.gz SYACSSYKRFAJOY-UHFFFAOYSA-N 0 3 469.463 5.340 1 0 JKAFHN Cc1ccc(/C=C/C(=O)NCCCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000003796905 562928333 /nfs/dbraw/zinc/92/83/33/562928333.db2.gz ZYIRZCNOOGHTJZ-WUKNDPDISA-N 0 3 465.641 5.898 1 0 JKAFHN COc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000003809877 562928671 /nfs/dbraw/zinc/92/86/71/562928671.db2.gz RQXJVDYSRNWVNF-RUZDIDTESA-N 0 3 467.635 5.058 1 0 JKAFHN Oc1ccc2c(ccc3c2[C@H](c2ccc(OCCN4CCCCC4)cc2)c2c(O)cccc2C3)c1 ZINC000003948512 562930586 /nfs/dbraw/zinc/93/05/86/562930586.db2.gz BPIWCLNTNZQVRB-HKBQPEDESA-N 0 3 465.593 6.200 1 0 JKAFHN Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000003949855 562930638 /nfs/dbraw/zinc/93/06/38/562930638.db2.gz TWZNCTCQAGRUGQ-RRPNLBNLSA-N 0 3 463.599 5.930 1 0 in-vivo JKAFHN C[C@@H](COc1ccc([C@@H]2Oc3ccc([O-])c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)cc1)[N@@H+]1CC[C@H](C)C1 ZINC000003948749 562930679 /nfs/dbraw/zinc/93/06/79/562930679.db2.gz WGYZSJCMDOXKNM-WYNHLRBOSA-N 0 3 491.603 6.367 1 0 JKAFHN C[C@@H](COc1ccc([C@@H]2Oc3ccc([O-])c(F)c3[C@@H](C)[C@@H]2c2ccc(O)cc2)cc1)[N@H+]1CC[C@H](C)C1 ZINC000003948749 562930680 /nfs/dbraw/zinc/93/06/80/562930680.db2.gz WGYZSJCMDOXKNM-WYNHLRBOSA-N 0 3 491.603 6.367 1 0 JKAFHN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 ZINC000003955894 562930829 /nfs/dbraw/zinc/93/08/29/562930829.db2.gz QYNHYAPAFPCACO-UHFFFAOYSA-N 0 3 485.472 5.638 1 0 JKAFHN CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccnc3)cc2)CC1 ZINC000006733274 562938308 /nfs/dbraw/zinc/93/83/08/562938308.db2.gz SUOKPHYFCLUSQT-UHFFFAOYSA-N 0 3 469.416 5.841 1 0 JKAFHN Clc1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000008690097 562953674 /nfs/dbraw/zinc/95/36/74/562953674.db2.gz FEVUYPDYBLXQOV-LZXIXXJQSA-N 0 3 479.027 6.214 3 0 JKAFHN Cc1c(COc2ccc(Br)cc2F)oc2cccc(OCCCNCc3cccnc3)c12 ZINC000013438510 562962612 /nfs/dbraw/zinc/96/26/12/562962612.db2.gz KNRFDGJIUZNLSO-UHFFFAOYSA-N 0 3 499.380 6.176 1 0 JKAFHN CN=C1Nc2ccc(N(C)Cc3ccc(S(=O)(=O)c4ccc(OC)cc4)cc3)c3c2c1ccc3C ZINC000013450213 562964676 /nfs/dbraw/zinc/96/46/76/562964676.db2.gz KRTFQFKWHRZAPU-UHFFFAOYSA-N 0 3 485.609 5.237 1 0 JKAFHN Oc1ccc2c(c1)[C@H](c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(O)ccc12 ZINC000013451391 562964761 /nfs/dbraw/zinc/96/47/61/562964761.db2.gz SGLLWAFQFIJSAO-LJAQVGFWSA-N 0 3 451.566 6.276 1 0 JKAFHN CCOC(=O)C1CCN(CCCCCCOc2ccc3oc(-c4ccccc4)cc(=O)c3c2)CC1 ZINC000013454401 562964922 /nfs/dbraw/zinc/96/49/22/562964922.db2.gz ZXEKOBFUIBKWPJ-UHFFFAOYSA-N 0 3 477.601 5.674 1 0 JKAFHN CNC(=O)CCN1CCC2=C(C1)c1c(OC)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455683 562965071 /nfs/dbraw/zinc/96/50/71/562965071.db2.gz XYMXLQFWKPYRCD-FQEVSTJZSA-N 0 3 494.651 5.727 1 0 JKAFHN CNC(=O)CCCN1CCC2=C(C1)c1c(O)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455635 562965113 /nfs/dbraw/zinc/96/51/13/562965113.db2.gz KXVBVZCLPVOLMX-HXUWFJFHSA-N 0 3 494.651 5.814 1 0 JKAFHN O=C(NCc1ccc2c(c1)OCO2)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1 ZINC000013475789 562967044 /nfs/dbraw/zinc/96/70/44/562967044.db2.gz ZJMRSKLYKCUCRF-UHFFFAOYSA-N 0 3 457.574 5.192 1 0 JKAFHN O=C(Nc1cc(F)ccc1F)Nc1ccccc1[C@@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000013475757 562967071 /nfs/dbraw/zinc/96/70/71/562967071.db2.gz XINIMAZPUMKJHH-SANMLTNESA-N 0 3 465.544 5.597 1 0 JKAFHN CCOC(=O)Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013488005 562968138 /nfs/dbraw/zinc/96/81/38/562968138.db2.gz KALVMJJXXTWNQX-GMAHTHKFSA-N 0 3 497.636 5.531 1 0 JKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)N1c2ccc(O)cc2CC[C@H]1c1cccc(O)c1 ZINC000013490107 562969205 /nfs/dbraw/zinc/96/92/05/562969205.db2.gz DSPKFOXJJPPMJT-MHZLTWQESA-N 0 3 472.585 5.297 1 0 JKAFHN CCCO[C@]12Cc3c4ccccc4n(CCC)c3[C@@H]3Oc4c5c(ccc4O)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000013492429 562969661 /nfs/dbraw/zinc/96/96/61/562969661.db2.gz SGELAAFGKGCMCT-SSHYCOHZSA-N 0 3 498.667 5.890 1 0 JKAFHN c1ccc2c(c1)nc1c(c2NCCCCCSc2c3ccccc3nc3c2CCCC3)CCCC1 ZINC000013492742 562969980 /nfs/dbraw/zinc/96/99/80/562969980.db2.gz RYJRQUCFOMGAHS-UHFFFAOYSA-N 0 3 481.709 7.915 1 0 JKAFHN COc1cccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000013494205 562970492 /nfs/dbraw/zinc/97/04/92/562970492.db2.gz CBTBMXDDKMBGPY-UHFFFAOYSA-N 0 3 451.557 6.382 1 0 JKAFHN O=C(CCc1ccccc1)c1cc(OCc2ccccc2)ccc1OC[C@H](O)CN1CCCCC1 ZINC000013529247 562972058 /nfs/dbraw/zinc/97/20/58/562972058.db2.gz YRJZDYAKHCFJLP-AREMUKBSSA-N 0 3 473.613 5.307 1 0 JKAFHN COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc54)[C@H](C)C3)cc21 ZINC000013535649 562972688 /nfs/dbraw/zinc/97/26/88/562972688.db2.gz CBTPCFLJYTWCHA-QYZOEREBSA-N 0 3 450.604 5.399 1 0 JKAFHN Cc1ccnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560304 562975230 /nfs/dbraw/zinc/97/52/30/562975230.db2.gz CAQMZXXSQMJODK-UHFFFAOYSA-N 0 3 468.645 5.606 1 0 JKAFHN Cc1cccc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013560303 562975255 /nfs/dbraw/zinc/97/52/55/562975255.db2.gz KWPAQVVTTPTSTI-UHFFFAOYSA-N 0 3 467.657 6.211 1 0 JKAFHN COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc54)[C@H](C)C3)cc21 ZINC000013587180 562976874 /nfs/dbraw/zinc/97/68/74/562976874.db2.gz MBTNZOCGXGVNLT-AQNXPRMDSA-N 0 3 464.631 5.707 1 0 JKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CC[C@@H](c3cc4cccc(F)c4s3)C[C@@H]2C)[nH]1 ZINC000013587186 562976928 /nfs/dbraw/zinc/97/69/28/562976928.db2.gz LVZXIRSLFCVVQC-NSHGMRRFSA-N 0 3 452.595 5.838 1 0 JKAFHN CCCN(Cc1sc(Nc2ccc(C(C)C)cc2Br)nc1C(F)(F)F)CC1CC1 ZINC000013587345 562977128 /nfs/dbraw/zinc/97/71/28/562977128.db2.gz IBAVUGWJVSMJLY-UHFFFAOYSA-N 0 3 490.433 7.413 1 0 JKAFHN COc1ccc(CCOc2cc(C(=O)NCC3CCN(c4ccncc4)CC3)ccc2Cl)cc1 ZINC000013643346 562980370 /nfs/dbraw/zinc/98/03/70/562980370.db2.gz UNHPOJGJLQUPNH-UHFFFAOYSA-N 0 3 480.008 5.012 1 0 JKAFHN COc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1 ZINC000013643401 562980447 /nfs/dbraw/zinc/98/04/47/562980447.db2.gz IHWQZDBTWMPDIP-UHFFFAOYSA-N 0 3 480.008 5.012 1 0 JKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(F)c(OCCc2cccc(Cl)c2)c1 ZINC000013643373 562980485 /nfs/dbraw/zinc/98/04/85/562980485.db2.gz RHJHCDDSINXMPN-UHFFFAOYSA-N 0 3 467.972 5.142 1 0 JKAFHN CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6cccc7ccccc76)nc5c4)nc3c2)CC1 ZINC000013652038 562981790 /nfs/dbraw/zinc/98/17/90/562981790.db2.gz VLEMLDYTAYFYTJ-UHFFFAOYSA-N 0 3 458.569 5.678 1 0 JKAFHN CN1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6cccc7ccccc76)[nH]c5c4)nc3c2)CC1 ZINC000013652038 562981792 /nfs/dbraw/zinc/98/17/92/562981792.db2.gz VLEMLDYTAYFYTJ-UHFFFAOYSA-N 0 3 458.569 5.678 1 0 JKAFHN CCCN1CCC(=O)N([C@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000013661696 562982410 /nfs/dbraw/zinc/98/24/10/562982410.db2.gz SNZNPBVJTMVVSC-NRFANRHFSA-N 0 3 461.469 5.097 3 0 JKAFHN CC(C)CN1CCC(=O)N([C@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000013661685 562982370 /nfs/dbraw/zinc/98/23/70/562982370.db2.gz QJZFDTSDTBWLAC-QFIPXVFZSA-N 0 3 475.496 5.343 3 0 JKAFHN Cc1cc(NCCN(C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000013671976 562982606 /nfs/dbraw/zinc/98/26/06/562982606.db2.gz ZZOFPJLORHEXGT-IZZDOVSWSA-N 0 3 458.484 5.067 1 0 JKAFHN Cc1c(C(=O)c2ccc(I)cc2)c2ccccc2n1C[C@@H]1CCCCN1C ZINC000013674203 562982926 /nfs/dbraw/zinc/98/29/26/562982926.db2.gz XUGCXQVKBYCHHU-IBGZPJMESA-N 0 3 472.370 5.270 1 0 JKAFHN Cc1c(C(=O)c2cccc(I)c2)c2ccccc2n1C[C@@H]1CCCCN1C ZINC000013674199 562982952 /nfs/dbraw/zinc/98/29/52/562982952.db2.gz NPMAIGLJNFICKY-IBGZPJMESA-N 0 3 472.370 5.270 1 0 JKAFHN COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4ccccc4nc4c3CCCC4)c2c1 ZINC000013679420 562984031 /nfs/dbraw/zinc/98/40/31/562984031.db2.gz NNXPYYPDXHQYMI-UHFFFAOYSA-N 0 3 498.671 6.325 1 0 JKAFHN O=C(CCCCCNc1c2c(nc3cccc(Cl)c31)CCCC2)NCCc1c[nH]c2ccccc12 ZINC000013679413 562984043 /nfs/dbraw/zinc/98/40/43/562984043.db2.gz SZRNKXYBFFECAE-UHFFFAOYSA-N 0 3 489.063 6.580 1 0 JKAFHN Oc1ccc2c(ccc3c2[C@@H](c2ccc(OCCN4CCCCC4)cc2)Oc2c(F)cc(F)cc2-3)c1 ZINC000013679922 562984124 /nfs/dbraw/zinc/98/41/24/562984124.db2.gz AKRKKOYYGGSJRD-GDLZYMKVSA-N 0 3 487.546 6.837 1 0 JKAFHN Cc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccc(Cl)cc3)c2c1 ZINC000013731180 562985214 /nfs/dbraw/zinc/98/52/14/562985214.db2.gz QMJKMWYSEUGRLA-UHFFFAOYSA-N 0 3 479.068 5.918 1 0 JKAFHN O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1)CCCC2 ZINC000013737859 562986265 /nfs/dbraw/zinc/98/62/65/562986265.db2.gz PRULHOMNCDTENF-UHFFFAOYSA-N 0 3 466.669 6.905 1 0 JKAFHN CN(CCCCN1CCC(c2noc3cc(F)ccc32)CC1)C(=O)c1nsc2ccccc21 ZINC000013737886 562986267 /nfs/dbraw/zinc/98/62/67/562986267.db2.gz RRJGHQGFXIURME-UHFFFAOYSA-N 0 3 466.582 5.308 1 0 JKAFHN CCCCc1ccc(/C(=C(\CC)c2ccccc2)c2ccc(OCCN3CCCC3)cc2)cc1 ZINC000013740239 562986697 /nfs/dbraw/zinc/98/66/97/562986697.db2.gz GWLXUXBCLJMLLM-MVJHLKBCSA-N 0 3 453.670 7.873 1 0 JKAFHN COc1cc(Br)ccc1OCCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000013740870 562986960 /nfs/dbraw/zinc/98/69/60/562986960.db2.gz YHSBVXZDWKZHDZ-UHFFFAOYSA-N 0 3 463.347 5.387 1 0 JKAFHN O=C(Nc1ccc(C(=O)N2CCC[C@@H](N3CCCCC3)c3ccccc32)cc1)c1ccccc1Cl ZINC000013758007 562988927 /nfs/dbraw/zinc/98/89/27/562988927.db2.gz PMSNZJVELGXKFG-AREMUKBSSA-N 0 3 488.031 6.560 1 0 JKAFHN CC(C)N1CCN(CCN(C)CCc2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O ZINC000013758601 562989006 /nfs/dbraw/zinc/98/90/06/562989006.db2.gz NGNPLUIBWZYBFY-UHFFFAOYSA-N 0 3 456.993 5.043 1 0 JKAFHN Cn1c2ccccc2c(C(=O)C(=O)N2CCC(N3CCCCC3)CC2)c1COc1ccc(Cl)cc1 ZINC000013766336 562990730 /nfs/dbraw/zinc/99/07/30/562990730.db2.gz GMNSKOPBGHCMQS-UHFFFAOYSA-N 0 3 494.035 5.070 1 0 JKAFHN Oc1ccc2c(c1)sc1c2[C@@H](c2ccc(OCCN3CCCCC3)cc2)Oc2ccccc2-1 ZINC000013779327 562991412 /nfs/dbraw/zinc/99/14/12/562991412.db2.gz CDLTVDHDPPXVPQ-HHHXNRCGSA-N 0 3 457.595 6.620 1 0 JKAFHN O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819439 562997264 /nfs/dbraw/zinc/99/72/64/562997264.db2.gz HIHMSQGASZUHDX-FRXPANAUSA-N 0 3 474.689 5.690 1 0 JKAFHN O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819439 562997266 /nfs/dbraw/zinc/99/72/66/562997266.db2.gz HIHMSQGASZUHDX-FRXPANAUSA-N 0 3 474.689 5.690 1 0 JKAFHN Cc1ccc2c(c1)[C@H](NC(=O)CCCN1CCN(c3ccc(F)cc3)CC1)[C@@H]1CCCC[C@H]1CS2 ZINC000013820104 562997351 /nfs/dbraw/zinc/99/73/51/562997351.db2.gz HZXRXKYEWBFEDP-OMRWSRCMSA-N 0 3 495.708 5.806 1 0 JKAFHN O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000013820558 562997551 /nfs/dbraw/zinc/99/75/51/562997551.db2.gz PVJCUYTVYYLXGG-MUUNZHRXSA-N 0 3 492.088 5.754 1 0 JKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC([C@H](c2ccc(F)cc2)C2CCCCC2)CC1 ZINC000013824909 562998187 /nfs/dbraw/zinc/99/81/87/562998187.db2.gz VRQQRENDQSWBNX-PMERELPUSA-N 0 3 481.652 6.882 1 0 JKAFHN COc1cc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1C(C)=O ZINC000013824959 562998190 /nfs/dbraw/zinc/99/81/90/562998190.db2.gz FKRCUXNEGDSKAA-UHFFFAOYSA-N 0 3 493.594 6.489 1 0 JKAFHN O=S1(=O)c2ccccc2-c2ccccc2N1CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000013826854 562998622 /nfs/dbraw/zinc/99/86/22/562998622.db2.gz UIVOCYXCNVVBDJ-UHFFFAOYSA-N 0 3 489.616 5.437 1 0 JKAFHN COc1ccc([C@H]2C=CCN(CC3CC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000013831005 562999339 /nfs/dbraw/zinc/99/93/39/562999339.db2.gz LOXGLFHDUZOSOG-IHLOFXLRSA-N 0 3 484.615 5.797 1 0 JKAFHN O=C(c1c2ccc(O)cc2sc1-c1cc[n+]([O-])cc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834336 563000994 /nfs/dbraw/zinc/00/09/94/563000994.db2.gz IRHGYSJUWORFDU-UHFFFAOYSA-N 0 3 474.582 5.003 1 0 JKAFHN Clc1ccc(N2CCN(CC[C@H](Oc3ccc4c(c3)OCO4)c3ccccc3)CC2)cc1 ZINC000013861711 563002554 /nfs/dbraw/zinc/00/25/54/563002554.db2.gz PZUUCLCSQURJFQ-DEOSSOPVSA-N 0 3 450.966 5.401 1 0 JKAFHN Fc1ccc(N2CCN(CC[C@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1 ZINC000013861731 563002621 /nfs/dbraw/zinc/00/26/21/563002621.db2.gz IWEYSMKGYWBMOK-VWLOTQADSA-N 0 3 458.499 6.177 1 0 JKAFHN CCCN(CCC)C(=O)c1c(CN(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000013862484 563002868 /nfs/dbraw/zinc/00/28/68/563002868.db2.gz GEUNOQYKVFJYGC-UHFFFAOYSA-N 0 3 479.668 7.186 1 0 JKAFHN COc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(Br)c2ccccc21 ZINC000013862856 563003029 /nfs/dbraw/zinc/00/30/29/563003029.db2.gz SUQIESLQCIUEKX-UHFFFAOYSA-N 0 3 453.380 5.005 1 0 JKAFHN O[C@H](/C=C1\C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000013901727 563004376 /nfs/dbraw/zinc/00/43/76/563004376.db2.gz IICYPFHJKGRIGE-WCWZFIMYSA-N 0 3 463.543 6.592 1 0 JKAFHN Oc1ccc2c(ccc3c2[C@@H](c2ccc(OCCN4CCCCC4)cc2)c2cc(O)ccc2C3)c1 ZINC000013976023 563004918 /nfs/dbraw/zinc/00/49/18/563004918.db2.gz OEVSLFVSLIUCMB-PMERELPUSA-N 0 3 465.593 6.200 1 0 JKAFHN COc1ccc([C@@]2(C)CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000013977829 563005142 /nfs/dbraw/zinc/00/51/42/563005142.db2.gz ODINENOTSWRONR-RUZDIDTESA-N 0 3 477.432 5.561 1 0 JKAFHN Cc1ccc2c(cccc2N2CCN(CCc3cccc(NC(=O)Nc4ccc(F)cc4)c3)CC2)n1 ZINC000014022479 563005461 /nfs/dbraw/zinc/00/54/61/563005461.db2.gz LMTQZFXYMFRKKP-UHFFFAOYSA-N 0 3 483.591 5.691 1 0 JKAFHN CC(C)COc1cc2ncnc(Nc3c4c(ccc3Cl)OCO4)c2c(OC2CCN(C)CC2)c1 ZINC000014949457 563006943 /nfs/dbraw/zinc/00/69/43/563006943.db2.gz CFEJJQZWMZTARJ-UHFFFAOYSA-N 0 3 484.984 5.263 1 0 JKAFHN CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2[O-])c1-c1ccc(C[NH+](CC)CC)cc1 ZINC000014974934 563010261 /nfs/dbraw/zinc/01/02/61/563010261.db2.gz KVALWNOGXNZJNM-UHFFFAOYSA-N 0 3 451.567 5.135 1 0 JKAFHN CC(C)[C@@H](C)NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CCN(C(C)C)CC1 ZINC000022452358 563017080 /nfs/dbraw/zinc/01/70/80/563017080.db2.gz LQFYHISCELYWDN-JOCHJYFZSA-N 0 3 458.650 5.202 1 0 JKAFHN O[C@H](CNc1ccccc1)CN1CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022926450 563017710 /nfs/dbraw/zinc/01/77/10/563017710.db2.gz QZHQEYQOBSXHCY-GDLZYMKVSA-N 0 3 493.642 5.358 1 0 JKAFHN COc1cc2c(cc1OC)CN([C@@H]1CCCN(CCCOc3ccc4ccccc4c3)C1)CC2 ZINC000022930512 563018162 /nfs/dbraw/zinc/01/81/62/563018162.db2.gz BFMCYLRJNAXJFX-AREMUKBSSA-N 0 3 460.618 5.149 1 0 JKAFHN Clc1ccc(-c2ccc(CN[C@@H]3CCN(CC(c4ccccc4)c4ccccc4)C3)o2)cc1 ZINC000022932294 563018569 /nfs/dbraw/zinc/01/85/69/563018569.db2.gz ATGOCSGYJZJMMY-AREMUKBSSA-N 0 3 457.017 6.596 1 0 JKAFHN Cc1c2c(c(C)c(N)c1C)C[C@](C)(CN1CCN(C(c3ccccc3)c3ccccc3)CC1)O2 ZINC000022934332 563018851 /nfs/dbraw/zinc/01/88/51/563018851.db2.gz MVSGXQSDPNEATA-SSEXGKCCSA-N 0 3 455.646 5.295 1 0 JKAFHN CCCCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022939643 563019478 /nfs/dbraw/zinc/01/94/78/563019478.db2.gz QGBFTFIRRDZUAM-AWVRMFGXSA-N 0 3 465.682 5.461 1 0 JKAFHN O=C(CCCN1CCN(CCCc2ccccc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000022940082 563019555 /nfs/dbraw/zinc/01/95/55/563019555.db2.gz UFHFNDHFTRUFFK-WJOKGBTCSA-N 0 3 499.724 5.529 1 0 JKAFHN Fc1ccc(C(OCCN2C[C@H]3CC[C@@H](C2)N3CCCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000022940896 563019731 /nfs/dbraw/zinc/01/97/31/563019731.db2.gz IPXPHQLSEIAOEV-ISILISOKSA-N 0 3 476.611 5.852 1 0 JKAFHN CCC(CC)NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CCN(C(C)C)CC1 ZINC000022941814 563019811 /nfs/dbraw/zinc/01/98/11/563019811.db2.gz PLCGOOJEDMEMOS-UHFFFAOYSA-N 0 3 458.650 5.346 1 0 JKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1)c1ccc(OCCN2CCCCCC2)cc1 ZINC000026006455 563021606 /nfs/dbraw/zinc/02/16/06/563021606.db2.gz DTRYPUDAGJUMRK-UHFFFAOYSA-N 0 3 487.621 6.465 1 0 JKAFHN C[C@@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000026146459 563022389 /nfs/dbraw/zinc/02/23/89/563022389.db2.gz VWYDECMNCXHJOZ-HYBUGGRVSA-N 0 3 479.045 5.734 1 0 JKAFHN C[C@@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026158918 563022610 /nfs/dbraw/zinc/02/26/10/563022610.db2.gz HXWPVLFGOOFIJD-YKSBVNFPSA-N 0 3 479.045 5.734 1 0 JKAFHN C[C@@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026158902 563022687 /nfs/dbraw/zinc/02/26/87/563022687.db2.gz HXWPVLFGOOFIJD-HYBUGGRVSA-N 0 3 479.045 5.734 1 0 JKAFHN Cc1ccc(S(=O)(=O)N[C@@H](CN[C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026165970 563022990 /nfs/dbraw/zinc/02/29/90/563022990.db2.gz WOCAHMZLKFLFKN-RCZVLFRGSA-N 0 3 458.627 5.389 1 0 JKAFHN Cc1ccc(S(=O)(=O)N[C@@H](CN[C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026165973 563023013 /nfs/dbraw/zinc/02/30/13/563023013.db2.gz WOCAHMZLKFLFKN-WIOPSUGQSA-N 0 3 458.627 5.389 1 0 JKAFHN Cc1ccc(S(=O)(=O)N[C@H](CN[C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026165982 563023062 /nfs/dbraw/zinc/02/30/62/563023062.db2.gz WOCAHMZLKFLFKN-DHLKQENFSA-N 0 3 458.627 5.389 1 0 JKAFHN COc1ccc(Br)cc1-c1nc(CNC2CCN(Cc3ccccc3)CC2)cs1 ZINC000026172282 563023405 /nfs/dbraw/zinc/02/34/05/563023405.db2.gz PGWQCIREQLHHHR-UHFFFAOYSA-N 0 3 472.452 5.335 1 0 JKAFHN COc1ccc([C@H](O)CCCN2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026179040 563023686 /nfs/dbraw/zinc/02/36/86/563023686.db2.gz OVISRGCRZMGEBJ-KJYTXNCISA-N 0 3 464.556 5.797 1 0 JKAFHN O=C(NCCCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000026253499 563024507 /nfs/dbraw/zinc/02/45/07/563024507.db2.gz MMXZMOPOEQCCMR-AHKZPQOWSA-N 0 3 461.556 5.485 1 0 JKAFHN CC1(C)Oc2cc(O)ccc2[C@@H](c2ccc(OCCN3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000026271906 563025102 /nfs/dbraw/zinc/02/51/02/563025102.db2.gz OONKDFGHNVJXNG-WDYNHAJCSA-N 0 3 457.614 6.344 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCCCCC[C@H](Sc1ccccc1)c1ccccc1)CC2 ZINC000026273825 563025203 /nfs/dbraw/zinc/02/52/03/563025203.db2.gz PXPALVLDMLCHHI-PMERELPUSA-N 0 3 475.698 7.546 1 0 JKAFHN COc1ccc([S@](=O)c2ccc([C@@H](C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2)cc1 ZINC000026380098 563026651 /nfs/dbraw/zinc/02/66/51/563026651.db2.gz CSHHMALNFJAJIB-BIMVPBQRSA-N 0 3 494.745 6.434 1 0 JKAFHN Cc1cc(OCCCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026405044 563027845 /nfs/dbraw/zinc/02/78/45/563027845.db2.gz QOQDVFIRZLAAEI-UHFFFAOYSA-N 0 3 486.700 6.664 1 0 JKAFHN Cc1cc(OCCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026478731 563028219 /nfs/dbraw/zinc/02/82/19/563028219.db2.gz JOKIRSUFZFGUEG-UHFFFAOYSA-N 0 3 472.673 6.274 1 0 JKAFHN Cc1ccsc1[C@@H](c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026507954 563029526 /nfs/dbraw/zinc/02/95/26/563029526.db2.gz XOPQNCIENZGJRI-XMMPIXPASA-N 0 3 466.614 5.097 1 0 JKAFHN Cc1ccsc1[C@H](c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026507949 563029574 /nfs/dbraw/zinc/02/95/74/563029574.db2.gz XOPQNCIENZGJRI-DEOSSOPVSA-N 0 3 466.614 5.097 1 0 JKAFHN CC/C(=C(/c1ccc(Br)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 ZINC000026508820 563029587 /nfs/dbraw/zinc/02/95/87/563029587.db2.gz QKCGCDADJBZFKY-OCEACIFDSA-N 0 3 450.420 6.759 1 0 JKAFHN CC/C(=C(/c1ccc(I)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 ZINC000026566572 563029667 /nfs/dbraw/zinc/02/96/67/563029667.db2.gz BSZGETWFQDIDDX-OCEACIFDSA-N 0 3 497.420 6.601 1 0 JKAFHN C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1 ZINC000026578013 563030955 /nfs/dbraw/zinc/03/09/55/563030955.db2.gz ORGCRESQMYXKGH-DNQXCXABSA-N 0 3 496.526 7.159 1 0 JKAFHN C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCCc1ccccc1 ZINC000026578010 563030983 /nfs/dbraw/zinc/03/09/83/563030983.db2.gz BJZUXYGUBISHCC-JWQCQUIFSA-N 0 3 477.643 6.520 1 0 JKAFHN CN(C[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccsc1)S(=O)(=O)c1ccccc1 ZINC000026640358 563031518 /nfs/dbraw/zinc/03/15/18/563031518.db2.gz XWXQHDZLNCSLKP-XMMPIXPASA-N 0 3 468.688 5.422 1 0 JKAFHN CN(C[C@H](CCN1CCC(c2ccccc2)CC1)c1ccsc1)S(=O)(=O)c1ccccc1 ZINC000026640364 563031589 /nfs/dbraw/zinc/03/15/89/563031589.db2.gz XWXQHDZLNCSLKP-DEOSSOPVSA-N 0 3 468.688 5.422 1 0 JKAFHN CCc1cc(O)cc2c1S[C@@H](c1ccc(O)cc1)[C@@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026656657 563032506 /nfs/dbraw/zinc/03/25/06/563032506.db2.gz RQEDNNYPHPXBQP-PXJZQJOASA-N 0 3 491.653 6.492 1 0 JKAFHN Oc1ccc2c(c1)S[C@H](c1ccc(F)cc1)[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026657056 563032535 /nfs/dbraw/zinc/03/25/35/563032535.db2.gz PXQIHYPEOSFFBY-RRPNLBNLSA-N 0 3 465.590 6.363 1 0 JKAFHN Oc1cccc([C@@H]2Sc3cc(O)ccc3O[C@@H]2c2ccc(OCCN3CCCCC3)cc2)c1 ZINC000026663191 563032839 /nfs/dbraw/zinc/03/28/39/563032839.db2.gz NAULYXADLNIEES-SXOMAYOGSA-N 0 3 463.599 5.930 1 0 JKAFHN O=C(c1ccc(F)cc1)C1CCN(C[C@@H]2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1 ZINC000026662322 563032848 /nfs/dbraw/zinc/03/28/48/563032848.db2.gz PTZUOUKVZMOWMQ-GHQLXFMHSA-N 0 3 455.573 5.939 1 0 JKAFHN CCC1=C(c2ccccc2)[C@H](c2ccc(OCCN3CCCC3)cc2)Oc2cc(OC)ccc21 ZINC000026963540 563038205 /nfs/dbraw/zinc/03/82/05/563038205.db2.gz PUKJLWFRYHROLA-PMERELPUSA-N 0 3 455.598 6.624 1 0 JKAFHN COc1ccc(CCCCN2C(=O)N(CCN3CCCC3)C(=O)[C@@H]2Cc2cccc3ccccc32)cc1 ZINC000027110017 563040676 /nfs/dbraw/zinc/04/06/76/563040676.db2.gz SDFIKYHRVMQJPY-LJAQVGFWSA-N 0 3 499.655 5.142 1 0 JKAFHN Clc1ccc2c(c1)C(c1ccccc1)=NCc1nnc(CCCN3CCN(c4ccccc4)CC3)n1-2 ZINC000027328968 563043087 /nfs/dbraw/zinc/04/30/87/563043087.db2.gz HPCUHGJRONWUPX-UHFFFAOYSA-N 0 3 497.046 5.027 1 0 JKAFHN CCC(=O)OC1([C@@H](C)C(=O)N(C)C2CCCCC2)CCN(CCc2ccccc2Cl)CC1 ZINC000027557659 563046510 /nfs/dbraw/zinc/04/65/10/563046510.db2.gz QMEQNFHRSZADSS-FQEVSTJZSA-N 0 3 463.062 5.098 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@H]2c1cccc(OCCN2CCCC2)c1 ZINC000027656182 563049153 /nfs/dbraw/zinc/04/91/53/563049153.db2.gz PLIUCEMVAGBJSL-VMPREFPWSA-N 0 3 457.614 6.257 1 0 JKAFHN Cc1ccc([C@@H](c2ccccc2)N2CCN(CCCCNC(=O)/C=C/c3ccc(C)nc3)CC2)cc1 ZINC000027656767 563049204 /nfs/dbraw/zinc/04/92/04/563049204.db2.gz GOEXMGWYKDBGCL-NSQLZQESSA-N 0 3 482.672 5.015 1 0 JKAFHN O=C1NCN(c2ccccc2)C12CCN(CCCN(c1ccc(F)cc1)c1cccc(Cl)c1)CC2 ZINC000027657590 563049352 /nfs/dbraw/zinc/04/93/52/563049352.db2.gz GTTFJDXIADKPEP-UHFFFAOYSA-N 0 3 493.026 5.436 1 0 JKAFHN C=C1N=C(C)C(C(=O)OC(C)C)[C@H](C2=CC=CN(C(=O)Oc3ccccc3)C2)C1C(=O)OC(C)C ZINC000027729293 563050567 /nfs/dbraw/zinc/05/05/67/563050567.db2.gz XKDWWTPWRMMGLA-ZZIWUOEGSA-N 0 3 480.561 5.452 1 0 JKAFHN Fc1ccc([C@H](OCCN2CCN(CCCc3ccccc3)CC2)c2cccc(F)c2)cc1 ZINC000027729937 563050680 /nfs/dbraw/zinc/05/06/80/563050680.db2.gz QSHQYEPLWKSOTM-NDEPHWFRSA-N 0 3 450.573 5.321 1 0 JKAFHN Cc1c(CCN2CCN(c3cc(C)ccn3)CC2)c2cccc3c2n1[C@@H](c1ccccc1)CC3 ZINC000027741817 563051083 /nfs/dbraw/zinc/05/10/83/563051083.db2.gz YESFCFFJOUJQQT-MUUNZHRXSA-N 0 3 450.630 5.553 1 0 JKAFHN COc1cc(Cl)cc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027766090 563051615 /nfs/dbraw/zinc/05/16/15/563051615.db2.gz CWPRCBVOIUJBBJ-URXFXBBRSA-N 0 3 481.851 5.808 1 0 JKAFHN COc1ccc2c(c1C)CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027849858 563051877 /nfs/dbraw/zinc/05/18/77/563051877.db2.gz XLXNHFACZXOPAN-DHLKQENFSA-N 0 3 461.433 5.463 1 0 JKAFHN COc1cc2c(cc1OC)[C@@](C)(CCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)OCC2 ZINC000027884218 563052720 /nfs/dbraw/zinc/05/27/20/563052720.db2.gz FULHNQTUWSRVAC-RUZDIDTESA-N 0 3 478.555 5.113 1 0 JKAFHN CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(OCc3ccccc3)cc2)n1 ZINC000028007649 563054736 /nfs/dbraw/zinc/05/47/36/563054736.db2.gz WIMAUEHWGLTHAB-UHFFFAOYSA-N 0 3 452.630 6.200 1 0 JKAFHN Clc1ccc([C@H]2C[C@H](N3CCN(C/C=C/c4ccccc4)CC3)c3ccccc32)cc1Cl ZINC000028087242 563055486 /nfs/dbraw/zinc/05/54/86/563055486.db2.gz CQHFAVPNRLFXIP-SGUUSEDISA-N 0 3 463.452 6.901 1 0 JKAFHN CN(Cc1ccccn1)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000028120356 563056764 /nfs/dbraw/zinc/05/67/64/563056764.db2.gz JWXCLECDJCIPAS-GDLZYMKVSA-N 0 3 462.597 5.712 1 0 JKAFHN C[C@@H]1c2cc(O)ccc2O[C@@H](c2ccc(OCCN3CCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000028130199 563057239 /nfs/dbraw/zinc/05/72/39/563057239.db2.gz OIWJQXISVVHHBL-FXAGJUNHSA-N 0 3 459.586 5.984 1 0 JKAFHN O=C(NCc1ccc(-c2cccs2)s1)[C@H]1CCC[C@@H]1NCc1cccc(C(F)(F)F)c1 ZINC000028336690 563059992 /nfs/dbraw/zinc/05/99/92/563059992.db2.gz ACYGUQIXRVGQAO-OALUTQOASA-N 0 3 464.578 6.070 1 0 JKAFHN C[C@H]1c2cc(O)ccc2O[C@@H](c2ccc(OCCN3CCCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000028341037 563060458 /nfs/dbraw/zinc/06/04/58/563060458.db2.gz OIWJQXISVVHHBL-MXXBPKCLSA-N 0 3 459.586 5.984 1 0 JKAFHN CC(C)[C@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Oc1ccccc1C(F)(F)F ZINC000028347712 563060803 /nfs/dbraw/zinc/06/08/03/563060803.db2.gz YZMDJCYFVDZWAD-QFIPXVFZSA-N 0 3 461.528 5.479 1 0 JKAFHN OCC1CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1 ZINC000028378536 563062768 /nfs/dbraw/zinc/06/27/68/563062768.db2.gz HEXSBPJUAVNGKL-WUFINQPMSA-N 0 3 493.625 5.148 1 0 JKAFHN Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3C[C@@H]4C[C@@H]4C3)cc2)cc1 ZINC000028377737 563062816 /nfs/dbraw/zinc/06/28/16/563062816.db2.gz LXPJFKHIHBCXNT-OHGBUVMCSA-N 0 3 461.583 5.395 1 0 JKAFHN CCNC(=O)c1ccc(C(c2ccc(CO)cc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028456269 563064105 /nfs/dbraw/zinc/06/41/05/563064105.db2.gz DTNSHYLHWVMASK-MKPDMIMOSA-N 0 3 456.586 5.151 1 0 JKAFHN Cc1ccc(NC(=O)NC[C@@H](c2ccc(-c3ccccc3)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028520977 563066318 /nfs/dbraw/zinc/06/63/18/563066318.db2.gz LPGUJYWWRBKIOS-HKBQPEDESA-N 0 3 496.699 6.475 1 0 JKAFHN O=C(Nc1ccccc1NC(=O)c1ccccc1Cl)OCC1CCN(c2ccncc2)CC1 ZINC000028522364 563066523 /nfs/dbraw/zinc/06/65/23/563066523.db2.gz DUIILPZKNQLOFS-UHFFFAOYSA-N 0 3 464.953 5.452 1 0 JKAFHN O=C(Nc1ccccc1NC(=O)c1cccc(Cl)c1Cl)OCC1CCN(c2ccncc2)CC1 ZINC000028522902 563066638 /nfs/dbraw/zinc/06/66/38/563066638.db2.gz RFOIIHBEWOYXHM-UHFFFAOYSA-N 0 3 499.398 6.106 1 0 JKAFHN COc1ccc([C@H](CNC(=O)Nc2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028522972 563066745 /nfs/dbraw/zinc/06/67/45/563066745.db2.gz IWHKDPIAKYWOCM-NDEPHWFRSA-N 0 3 492.708 5.806 1 0 JKAFHN O=C(NC[C@@H](c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000028523579 563066879 /nfs/dbraw/zinc/06/68/79/563066879.db2.gz NAQUXUSUTYLYRW-DEOSSOPVSA-N 0 3 475.464 5.807 1 0 JKAFHN O=C(NC[C@H](c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000028523578 563066891 /nfs/dbraw/zinc/06/68/91/563066891.db2.gz NAQUXUSUTYLYRW-XMMPIXPASA-N 0 3 475.464 5.807 1 0 JKAFHN O=C(Nc1ccccc1NC(=O)c1ccc(Cl)s1)OCC1CCN(c2ccncc2)CC1 ZINC000028523914 563067065 /nfs/dbraw/zinc/06/70/65/563067065.db2.gz NXERFAIVNCDXOA-UHFFFAOYSA-N 0 3 470.982 5.514 1 0 JKAFHN O=C(Nc1ccccc1NC(=O)c1ccc(Cl)cc1)OCC1CCN(c2ccncc2)CC1 ZINC000028525746 563067728 /nfs/dbraw/zinc/06/77/28/563067728.db2.gz OMLKLNNPYFQALD-UHFFFAOYSA-N 0 3 464.953 5.452 1 0 JKAFHN Clc1ccc2c(c1)c(NC1CCN(Cc3ccc4ccccc4c3)CC1)nn2Cc1ccccn1 ZINC000028530402 563068682 /nfs/dbraw/zinc/06/86/82/563068682.db2.gz SJRILSZPAVZTBJ-UHFFFAOYSA-N 0 3 482.031 6.363 1 0 JKAFHN O=C(CCCN1CCN(c2cccc(Cl)c2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000028647178 563073573 /nfs/dbraw/zinc/07/35/73/563073573.db2.gz WLXHOZDJHXJURU-UHFFFAOYSA-N 0 3 461.220 5.841 1 0 JKAFHN Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000028710186 563075986 /nfs/dbraw/zinc/07/59/86/563075986.db2.gz AFEOXYGIEXXWKX-NRFANRHFSA-N 0 3 467.629 5.218 1 0 JKAFHN CC(C)C(=O)Nc1cccc(C2CCN(CCNC(=O)C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000028710164 563076053 /nfs/dbraw/zinc/07/60/53/563076053.db2.gz VSKUPRJZZDVXEM-UHFFFAOYSA-N 0 3 483.656 5.409 1 0 JKAFHN CC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc(Oc4ccc(C(C)(C)C)cc4)c3)CC2)c1 ZINC000028710577 563076170 /nfs/dbraw/zinc/07/61/70/563076170.db2.gz LBFKAYUDAAUXBV-UHFFFAOYSA-N 0 3 484.684 7.751 1 0 JKAFHN O=C(Cc1ccccc1)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000028710574 563076208 /nfs/dbraw/zinc/07/62/08/563076208.db2.gz UIHOENHXMONZDL-UHFFFAOYSA-N 0 3 475.032 6.364 1 0 JKAFHN CC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)c1 ZINC000028710579 563076236 /nfs/dbraw/zinc/07/62/36/563076236.db2.gz WBQHYELYVXDTRY-UHFFFAOYSA-N 0 3 463.021 7.106 1 0 JKAFHN CCCCN[C@H](c1ccc(Cl)cc1Cl)[C@H](NCCCC)c1ccc(Cl)cc1Cl ZINC000028765380 563078558 /nfs/dbraw/zinc/07/85/58/563078558.db2.gz NEQZGYQZBDEPEM-FGZHOGPDSA-N 0 3 462.292 7.862 1 0 JKAFHN O[C@H]1CCN(Cc2ccc(CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)C1 ZINC000028821665 563080710 /nfs/dbraw/zinc/08/07/10/563080710.db2.gz VVFXZVXUOOVAMA-FQEVSTJZSA-N 0 3 456.533 6.075 1 0 JKAFHN CC(C)N(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCC(C)(C)C)n1 ZINC000028822171 563080961 /nfs/dbraw/zinc/08/09/61/563080961.db2.gz OFFYYPQMOPLLDI-UHFFFAOYSA-N 0 3 460.601 5.896 1 0 JKAFHN CSc1ccc([C@H]2CN(C)Cc3cccc(Oc4ccnc(CN5CCCCC5)c4)c32)cc1 ZINC000028827071 563082719 /nfs/dbraw/zinc/08/27/19/563082719.db2.gz AHDIGRGVUXUPBL-AREMUKBSSA-N 0 3 459.659 6.159 1 0 JKAFHN CSc1ccc([C@@H]2CN(C)Cc3cc(Oc4nc(CN5CCOCC5)cs4)ccc32)cc1 ZINC000028827090 563082867 /nfs/dbraw/zinc/08/28/67/563082867.db2.gz UOWNRACHYJYUBG-DEOSSOPVSA-N 0 3 467.660 5.067 1 0 JKAFHN CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@H](C)NCCC(C)(C)C)s1 ZINC000028827399 563083100 /nfs/dbraw/zinc/08/31/00/563083100.db2.gz AUHIFWMBYZBSOK-YWZLYKJASA-N 0 3 494.652 5.283 1 0 JKAFHN CCC(=O)N(c1ccccc1OC)C1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000028869974 563084055 /nfs/dbraw/zinc/08/40/55/563084055.db2.gz XXEHEVRQWFQRHR-UHFFFAOYSA-N 0 3 487.644 5.266 1 0 JKAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(CSC)c3=O)CC2)C(C)C)c1 ZINC000028874762 563084335 /nfs/dbraw/zinc/08/43/35/563084335.db2.gz YVFIDBHSTMIDIS-AREMUKBSSA-N 0 3 497.705 5.571 1 0 JKAFHN CN(C)CCOc1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 ZINC000028879152 563084657 /nfs/dbraw/zinc/08/46/57/563084657.db2.gz XNSZHQUDPHATEN-QFIPXVFZSA-N 0 3 458.562 5.088 1 0 JKAFHN COc1ccc2nccc([C@H]3CN(CC4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1 ZINC000028892381 563085163 /nfs/dbraw/zinc/08/51/63/563085163.db2.gz RRMYHKYZMNDGOW-HHHXNRCGSA-N 0 3 470.573 5.130 1 0 JKAFHN COc1ccc2nccc([C@H]3CN(C[C@@H]4CCCN(Cc5cc6ccccc6[nH]5)C4)C(=O)O3)c2c1 ZINC000028892393 563085189 /nfs/dbraw/zinc/08/51/89/563085189.db2.gz OBRNQODSNCZSMH-XHCCPWGMSA-N 0 3 470.573 5.130 1 0 JKAFHN CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2[C@@H](c2cc(Cl)ccc2Cl)C1 ZINC000028893080 563085320 /nfs/dbraw/zinc/08/53/20/563085320.db2.gz KRWTTWQHPPVRDH-QHCPKHFHSA-N 0 3 451.413 5.774 1 0 JKAFHN COc1ccc2nccc([C@H]3CN(C4CCN(Cc5cc6ccccc6o5)CC4)C(=O)O3)c2c1 ZINC000028893393 563085399 /nfs/dbraw/zinc/08/53/99/563085399.db2.gz NEBVJGRFYWCFPT-AREMUKBSSA-N 0 3 457.530 5.148 1 0 JKAFHN O=C1[N-]C(=Cc2ccc(C[NH2+]C3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899225 563085981 /nfs/dbraw/zinc/08/59/81/563085981.db2.gz ZCHRZUMAMPGDFF-ITYLOYPMSA-N 0 3 453.542 5.608 1 0 JKAFHN Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1CN1CCC[C@H]1c1ccccc1 ZINC000028903795 563086455 /nfs/dbraw/zinc/08/64/55/563086455.db2.gz AYPRBDIXIJJDIB-QHCPKHFHSA-N 0 3 470.020 6.589 1 0 JKAFHN CCCC(CCC)n1cc2c3c1cc(C)nc3N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2 ZINC000028958475 563088663 /nfs/dbraw/zinc/08/86/63/563088663.db2.gz WYDSZCZHTNUYDC-UHFFFAOYSA-N 0 3 483.500 8.218 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2ccccc2F)n1 ZINC000028963575 563089194 /nfs/dbraw/zinc/08/91/94/563089194.db2.gz DUIKAMVHIYZMQU-UHFFFAOYSA-N 0 3 470.527 5.410 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2cc(F)cc(F)c2)n1 ZINC000028963680 563089210 /nfs/dbraw/zinc/08/92/10/563089210.db2.gz ZTHUFOUBZNJZBB-UHFFFAOYSA-N 0 3 488.517 5.549 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2cccc(F)c2)n1 ZINC000028963671 563089226 /nfs/dbraw/zinc/08/92/26/563089226.db2.gz DBFOUULXHFMONW-UHFFFAOYSA-N 0 3 470.527 5.410 1 0 JKAFHN O=C(NCCNCc1ccc2ccccc2c1)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000028967491 563089501 /nfs/dbraw/zinc/08/95/01/563089501.db2.gz RFLAHGCHGNEDLB-UHFFFAOYSA-N 0 3 486.641 5.488 1 0 JKAFHN CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCC(O)CC2)c2ccccc21 ZINC000029037838 563090566 /nfs/dbraw/zinc/09/05/66/563090566.db2.gz IOWBIYUCUUAVQS-UHFFFAOYSA-N 0 3 489.704 6.289 1 0 JKAFHN CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCN(C)CC2)c2ccccc21 ZINC000029037834 563090638 /nfs/dbraw/zinc/09/06/38/563090638.db2.gz TUMNQBGNOIQMMR-UHFFFAOYSA-N 0 3 488.720 6.080 1 0 JKAFHN O=C1[N-]C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3ccccc3Cl)ccc21 ZINC000029049020 563092796 /nfs/dbraw/zinc/09/27/96/563092796.db2.gz WRGURIKVQFBPRG-ULJHMMPZSA-N 0 3 487.003 5.793 1 0 JKAFHN COc1ccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)[N-]C3=O)cc1 ZINC000029049310 563092905 /nfs/dbraw/zinc/09/29/05/563092905.db2.gz YCNJBJAUJQGODX-IMRQLAEWSA-N 0 3 482.584 5.148 1 0 JKAFHN CC[C@@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2cc(F)c(Cl)cc21 ZINC000029052738 563093180 /nfs/dbraw/zinc/09/31/80/563093180.db2.gz CXBILXFGXPBMDJ-DEOSSOPVSA-N 0 3 464.412 5.725 1 0 JKAFHN CCc1cccc(CC)c1-c1cc(CC)c2c(n1)CCC[C@H]2N(C)Cc1cccc2ccccc21 ZINC000029054353 563093329 /nfs/dbraw/zinc/09/33/29/563093329.db2.gz SNHDOLGZGJLJPR-WJOKGBTCSA-N 0 3 462.681 8.098 1 0 JKAFHN CCc1cccc(CC)c1-c1cc(CC)c2c(n1)CCC[C@@H]2N(C)Cc1cccc2ccccc21 ZINC000029054350 563093379 /nfs/dbraw/zinc/09/33/79/563093379.db2.gz SNHDOLGZGJLJPR-HKBQPEDESA-N 0 3 462.681 8.098 1 0 JKAFHN O=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)c1ccccc1Oc1ccccc1 ZINC000029123121 563094185 /nfs/dbraw/zinc/09/41/85/563094185.db2.gz HKYVHRBKOWJRPW-UHFFFAOYSA-N 0 3 454.545 6.166 1 0 JKAFHN CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccc(SC(F)(F)F)cc1 ZINC000029129762 563096787 /nfs/dbraw/zinc/09/67/87/563096787.db2.gz PUCXAAZLYORUSG-UHFFFAOYSA-N 0 3 479.568 5.121 1 0 JKAFHN Cc1cccc(/C=C/c2ccc3nc(NC4CCN(C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134517 563097906 /nfs/dbraw/zinc/09/79/06/563097906.db2.gz VLSYIRBTVVACBF-CMDGGOBGSA-N 0 3 467.617 5.479 1 0 JKAFHN COc1cc(CN(CCNc2ccnc3cc(Cl)ccc32)CC(C)(C)C)c(OC)c2ccccc12 ZINC000029134713 563098014 /nfs/dbraw/zinc/09/80/14/563098014.db2.gz KMJQYRCWYASNDJ-UHFFFAOYSA-N 0 3 492.063 7.019 1 0 JKAFHN O[C@H]1CNC[C@H](OCc2ccc3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2)cc1 ZINC000029206229 563098351 /nfs/dbraw/zinc/09/83/51/563098351.db2.gz WQXFNPSHIWXABP-CPCREDONSA-N 0 3 497.635 5.459 1 0 JKAFHN COc1ccccc1[C@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3ccc(Cl)cc3)=CN21 ZINC000029341452 563101069 /nfs/dbraw/zinc/10/10/69/563101069.db2.gz ZKTDWLJTUNSWPD-QHCPKHFHSA-N 0 3 484.021 5.186 1 0 JKAFHN Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3cc4ccccc4cn3)C[C@H]2Cc2ccccc2)c1 ZINC000029389793 563101602 /nfs/dbraw/zinc/10/16/02/563101602.db2.gz PGMFRRGJAYYKKA-MFMCTBQISA-N 0 3 463.625 5.857 1 0 JKAFHN COc1ccc([C@]2(c3ccc(OCCN(C)C)cc3)[C@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000029404737 563102815 /nfs/dbraw/zinc/10/28/15/563102815.db2.gz LWYSPLVNMSFSTO-DQEYMECFSA-N 0 3 456.413 5.893 1 0 JKAFHN Cc1ccc(N2CNC(=O)C23CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC3)cc1 ZINC000029479101 563105097 /nfs/dbraw/zinc/10/50/97/563105097.db2.gz AITAREBNJHPFFS-UHFFFAOYSA-N 0 3 490.598 5.230 1 0 JKAFHN CCN1CCC[C@H]1CNC(=O)c1c(OCc2ccccc2)ccc(OCc2ccccc2)c1OC ZINC000034343083 563113196 /nfs/dbraw/zinc/11/31/96/563113196.db2.gz UCSPRWCFKNGDEC-DEOSSOPVSA-N 0 3 474.601 5.067 1 0 JKAFHN Cc1ccccc1/C=C1\CSC[C@@H]2C1=NN(CCCN1CCN(C)CC1)[C@@H]2c1ccccc1C ZINC000034588902 563113948 /nfs/dbraw/zinc/11/39/48/563113948.db2.gz FTPOJBVPYPHMRV-OCRUCBGJSA-N 0 3 474.718 5.100 1 0 JKAFHN CCN(CC)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804160 563116405 /nfs/dbraw/zinc/11/64/05/563116405.db2.gz XFBHKDFRWTZZIS-FQEVSTJZSA-N 0 3 475.477 5.013 1 0 JKAFHN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](NCCN1CCCCC1)c1ccccc1 ZINC000034804135 563116422 /nfs/dbraw/zinc/11/64/22/563116422.db2.gz BHCROBUDGYXOFC-OAQYLSRUSA-N 0 3 487.488 5.157 1 0 JKAFHN O=C(Nc1ccc(F)cc1)O[C@H](CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000035974597 563121587 /nfs/dbraw/zinc/12/15/87/563121587.db2.gz MHBIIYXHZOETAS-RUZDIDTESA-N 0 3 482.983 6.143 1 0 JKAFHN O=C(Nc1cccc2ccccc21)O[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000035985098 563121716 /nfs/dbraw/zinc/12/17/16/563121716.db2.gz GWISHPBAFMUVHK-LOYHVIPDSA-N 0 3 462.593 6.683 1 0 JKAFHN Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)Nc2cccc(F)c2)ccc1F ZINC000035999276 563121877 /nfs/dbraw/zinc/12/18/77/563121877.db2.gz SUXUDRZHKMVXQJ-UHFFFAOYSA-N 0 3 494.542 5.535 1 0 JKAFHN COC(=O)c1c(Cl)cccc1-c1ccc(CNc2cc(CN3CCCCC3)ccn2)c(F)c1 ZINC000036161631 563123111 /nfs/dbraw/zinc/12/31/11/563123111.db2.gz FQRSFCOCYJWHNX-UHFFFAOYSA-N 0 3 467.972 5.926 1 0 JKAFHN C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285448 563125249 /nfs/dbraw/zinc/12/52/49/563125249.db2.gz ALICJAVKXRNQDP-AWEZNQCLSA-N 0 3 474.354 5.313 1 0 JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000036285720 563125266 /nfs/dbraw/zinc/12/52/66/563125266.db2.gz LHXZSBCSKZHCLQ-NRFANRHFSA-N 0 3 483.962 5.132 1 0 JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2cccs2)CC1 ZINC000036285478 563125288 /nfs/dbraw/zinc/12/52/88/563125288.db2.gz ZSUTVDYILSHLQK-FQEVSTJZSA-N 0 3 453.574 5.094 1 0 JKAFHN C[C@@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285451 563125303 /nfs/dbraw/zinc/12/53/03/563125303.db2.gz ALICJAVKXRNQDP-CQSZACIVSA-N 0 3 474.354 5.313 1 0 JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)COc2cccc(Cl)c2)CC1 ZINC000036285775 563125345 /nfs/dbraw/zinc/12/53/45/563125345.db2.gz YHYVINUYPDBICW-NRFANRHFSA-N 0 3 483.962 5.132 1 0 JKAFHN Cc1ccc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c(C)c1 ZINC000036285865 563125354 /nfs/dbraw/zinc/12/53/54/563125354.db2.gz WQWYZEABOSKYSV-BWKNWUBXSA-N 0 3 489.626 5.896 1 0 JKAFHN COc1cccc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c1 ZINC000036285804 563125382 /nfs/dbraw/zinc/12/53/82/563125382.db2.gz QCNZJTMUODZSDV-QHCPKHFHSA-N 0 3 477.571 5.041 1 0 JKAFHN Cc1ccc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1C ZINC000036285783 563125388 /nfs/dbraw/zinc/12/53/88/563125388.db2.gz NMCAXQLLMNGADX-OFVILXPXSA-N 0 3 489.626 5.896 1 0 JKAFHN CN(C)[C@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(Cl)cc5Cl)ccc4c3=O)cn2)C1 ZINC000036351531 563126895 /nfs/dbraw/zinc/12/68/95/563126895.db2.gz DBDZPSIDZCVRCS-IBGZPJMESA-N 0 3 480.395 5.969 1 0 JKAFHN O=C(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000036351459 563126897 /nfs/dbraw/zinc/12/68/97/563126897.db2.gz TWYCNBQSLNYJIC-UHFFFAOYSA-N 0 3 492.457 6.060 1 0 JKAFHN O=C(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(CCCO)cc1 ZINC000036351455 563126899 /nfs/dbraw/zinc/12/68/99/563126899.db2.gz IYAIWXMTHZPRGI-UHFFFAOYSA-N 0 3 471.641 5.223 1 0 JKAFHN CCN(CC)Cc1cnc2c(cccc2Cn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)c1 ZINC000036351783 563127071 /nfs/dbraw/zinc/12/70/71/563127071.db2.gz GNMGUQXSPWNRIU-UHFFFAOYSA-N 0 3 489.044 6.217 1 0 JKAFHN O=C(NCCCCCCN1CC[C@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000038140576 563131219 /nfs/dbraw/zinc/13/12/19/563131219.db2.gz NCNZEUCJDCGDDP-YTMVLYRLSA-N 0 3 489.610 6.265 1 0 JKAFHN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)OC[C@H](CN1CCCC1)O2 ZINC000038149705 563132055 /nfs/dbraw/zinc/13/20/55/563132055.db2.gz LXZGGZWBBGPVIA-IBGZPJMESA-N 0 3 479.989 5.003 1 0 JKAFHN O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000038402726 563134208 /nfs/dbraw/zinc/13/42/08/563134208.db2.gz CLRGCYMGDBZQTB-UHFFFAOYSA-N 0 3 478.518 6.283 1 0 JKAFHN CN1CCCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000038474023 563134841 /nfs/dbraw/zinc/13/48/41/563134841.db2.gz JQVVHRAPRYDLFJ-UHFFFAOYSA-N 0 3 498.414 5.035 1 0 JKAFHN CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)[C@@H](c1ccccc1)c1ccc(F)c(F)c1 ZINC000038803668 563135545 /nfs/dbraw/zinc/13/55/45/563135545.db2.gz IOVSXXYNGKBAID-NDEPHWFRSA-N 0 3 490.594 5.467 1 0 JKAFHN CC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCCn2c3ccccc3c3ccccc32)CC1 ZINC000040379485 563137198 /nfs/dbraw/zinc/13/71/98/563137198.db2.gz RSMGUCGGAWMGDC-MHZLTWQESA-N 0 3 483.656 5.367 1 0 JKAFHN Fc1ccc(-c2cc(C3CCN(Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)no2)cc1 ZINC000040390943 563137770 /nfs/dbraw/zinc/13/77/70/563137770.db2.gz UHPJOZZZYBPFAX-UHFFFAOYSA-N 0 3 469.482 6.670 1 0 JKAFHN COc1ccc2c(c1)[C@H](c1ccccc1NCCOc1ccccc1)N(CCOc1ccccc1)CC2 ZINC000040395319 563139089 /nfs/dbraw/zinc/13/90/89/563139089.db2.gz IBKUJZUCCQVILG-YTTGMZPUSA-N 0 3 494.635 6.213 1 0 JKAFHN O=C(NCCN1CCCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040404863 563139944 /nfs/dbraw/zinc/13/99/44/563139944.db2.gz BGIHMHHOJDEMTN-UHFFFAOYSA-N 0 3 477.823 5.715 1 0 JKAFHN CCCCN(Cc1ccc(Cl)cc1Cl)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040406330 563140131 /nfs/dbraw/zinc/14/01/31/563140131.db2.gz CWZQLYMLTJJQRQ-QFIPXVFZSA-N 0 3 469.363 5.053 1 0 JKAFHN CC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1nc(-c2csc3ccccc23)c[nH]1 ZINC000040409847 563140542 /nfs/dbraw/zinc/14/05/42/563140542.db2.gz JZUGAVWOEVAHTA-QFIPXVFZSA-N 0 3 466.651 5.330 1 0 JKAFHN Cc1cc(NC(=O)c2ccc(CN3CCCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040411589 563140849 /nfs/dbraw/zinc/14/08/49/563140849.db2.gz LPKANFYWMADVBY-UHFFFAOYSA-N 0 3 481.040 5.776 1 0 JKAFHN CCNCc1cccc(C(=O)Nc2cc(C)n(Cc3cc(Cl)ccc3OCC(C)C)n2)c1 ZINC000040421001 563141432 /nfs/dbraw/zinc/14/14/32/563141432.db2.gz OUHRZGSWJJRSHY-UHFFFAOYSA-N 0 3 455.002 5.290 1 0 JKAFHN CSc1ccc2c(c1)C(c1ccccc1)=NCc1nnc([C@@H](CN(C)C)c3ccccc3)n1-2 ZINC000040466996 563144377 /nfs/dbraw/zinc/14/43/77/563144377.db2.gz LHOMPYJVKAIVME-QHCPKHFHSA-N 0 3 453.615 5.034 1 0 JKAFHN CN(C)C[C@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1ccccc1Cl ZINC000040467015 563144379 /nfs/dbraw/zinc/14/43/79/563144379.db2.gz NTECLFCOKFHXBK-NRFANRHFSA-N 0 3 476.411 5.619 1 0 JKAFHN Cc1cccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000040504029 563144818 /nfs/dbraw/zinc/14/48/18/563144818.db2.gz QNZQUCFYTQVEKG-UHFFFAOYSA-N 0 3 451.557 5.690 1 0 JKAFHN COc1ccc(N2CC=C(c3ccc(C(F)(F)F)cc3)C2=O)cc1OCCN1CCC(C)CC1 ZINC000040565443 563145576 /nfs/dbraw/zinc/14/55/76/563145576.db2.gz LZNZFJIUOFWRID-UHFFFAOYSA-N 0 3 474.523 5.255 1 0 JKAFHN COc1cc(-n2cnc3cc(-c4cccc(Cl)c4)sc3c2=O)ccc1OCCN1CCCC1 ZINC000040566845 563145873 /nfs/dbraw/zinc/14/58/73/563145873.db2.gz KFXDZPBKEPCRPB-UHFFFAOYSA-N 0 3 482.005 5.251 1 0 JKAFHN COc1ccc(N2CC=C(c3ccc(Cl)c(F)c3)C2=O)cc1OCCN1CCC(C)CC1 ZINC000040566977 563145936 /nfs/dbraw/zinc/14/59/36/563145936.db2.gz QZGXUSFBFQTKDI-UHFFFAOYSA-N 0 3 458.961 5.029 1 0 JKAFHN COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000040567490 563146129 /nfs/dbraw/zinc/14/61/29/563146129.db2.gz WRBLMUFLYRGRPQ-UHFFFAOYSA-N 0 3 461.389 5.297 1 0 JKAFHN Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)Cc2ccccc2)cc1C ZINC000040568344 563146295 /nfs/dbraw/zinc/14/62/95/563146295.db2.gz DWQLOSQJDHUBFO-UHFFFAOYSA-N 0 3 471.601 5.103 1 0 JKAFHN COc1cc(N2C(=O)c3ccc(Sc4ccccc4)cc3C2=O)ccc1OCCN1CCCC1 ZINC000040575592 563146384 /nfs/dbraw/zinc/14/63/84/563146384.db2.gz ZCSWAEPCJGEENG-UHFFFAOYSA-N 0 3 474.582 5.122 1 0 JKAFHN Cc1ccc(Nc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)CCc2ccccc2)cc1C ZINC000040575696 563146472 /nfs/dbraw/zinc/14/64/72/563146472.db2.gz OATVXMWRDWUMLV-UHFFFAOYSA-N 0 3 484.644 5.444 1 0 JKAFHN COc1cc(C(C)=O)ccc1OCCCN1CC[C@@H](C(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040632415 563147093 /nfs/dbraw/zinc/14/70/93/563147093.db2.gz LZGTZRZRYXUCGB-XMMPIXPASA-N 0 3 495.566 5.203 1 0 JKAFHN COc1cc2c(cc1OCc1ccccc1)[C@@H](Cc1ccc(OCc3ccccc3)cc1)N(C)CC2 ZINC000040835228 563148924 /nfs/dbraw/zinc/14/89/24/563148924.db2.gz HZBGXMAYXSMTBE-SSEXGKCCSA-N 0 3 479.620 6.625 1 0 JKAFHN Fc1ccc(-c2cc(C3CCN(Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)[nH]n2)cc1 ZINC000040847750 563149465 /nfs/dbraw/zinc/14/94/65/563149465.db2.gz IVFPBVVRSLWLAX-UHFFFAOYSA-N 0 3 468.498 6.405 1 0 JKAFHN CCN(C(=O)c1ccc(Cl)cc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040863479 563150611 /nfs/dbraw/zinc/15/06/11/563150611.db2.gz LDNUDNVKCRWGIH-IDISGSTGSA-N 0 3 496.095 5.703 1 0 JKAFHN CCN(C(=O)c1ccccc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040864067 563150638 /nfs/dbraw/zinc/15/06/38/563150638.db2.gz SJAHKAVMZZYMHY-CUNXSJBXSA-N 0 3 461.650 5.049 1 0 JKAFHN CCN(C(=O)NCc1ccccc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040867007 563151302 /nfs/dbraw/zinc/15/13/02/563151302.db2.gz QLEJJPXFHLHHDG-FIPFOOKPSA-N 0 3 490.692 5.119 1 0 JKAFHN CCN(C(=O)OCc1ccccc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040867214 563151336 /nfs/dbraw/zinc/15/13/36/563151336.db2.gz HUXMKUMBJXCMBH-FIPFOOKPSA-N 0 3 491.676 5.546 1 0 JKAFHN CCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1nc(-c2ccc3ccccc3c2)c[nH]1 ZINC000040880981 563152927 /nfs/dbraw/zinc/15/29/27/563152927.db2.gz WUJYPVNMPHGXKX-SANMLTNESA-N 0 3 474.649 5.659 1 0 JKAFHN CCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1nc(-c2ccc3ccccc3n2)c[nH]1 ZINC000040891535 563153007 /nfs/dbraw/zinc/15/30/07/563153007.db2.gz SELGXBNMBHOLEF-VWLOTQADSA-N 0 3 475.637 5.054 1 0 JKAFHN c1ccc(OCCNc2ccccc2[C@@H]2c3ccccc3CCN2CCOc2ccccc2)cc1 ZINC000040891725 563153099 /nfs/dbraw/zinc/15/30/99/563153099.db2.gz OWMAMEQPYBFVPK-HKBQPEDESA-N 0 3 464.609 6.204 1 0 JKAFHN O=c1cc(NC[C@@H](CNCc2ccc(Cl)c(Cl)c2)OCc2ccccc2)[nH]c2ccccc12 ZINC000040913825 563154983 /nfs/dbraw/zinc/15/49/83/563154983.db2.gz CYDLPVCTZMBTPZ-HXUWFJFHSA-N 0 3 482.411 5.622 1 0 JKAFHN O=c1cc(NC[C@H](CNCc2ccc(Cl)c(Cl)c2)OCc2ccccc2)[nH]c2ccccc12 ZINC000040913823 563155005 /nfs/dbraw/zinc/15/50/05/563155005.db2.gz CYDLPVCTZMBTPZ-FQEVSTJZSA-N 0 3 482.411 5.622 1 0 JKAFHN Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2ccco2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040913758 563155053 /nfs/dbraw/zinc/15/50/53/563155053.db2.gz HYQMTHNENKITBQ-DEOSSOPVSA-N 0 3 490.525 6.783 1 0 JKAFHN Cc1cc(NC(=O)c2ccc(CN(C)C)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040935813 563157800 /nfs/dbraw/zinc/15/78/00/563157800.db2.gz NWXPPRRQELPTMW-UHFFFAOYSA-N 0 3 455.002 5.242 1 0 JKAFHN COc1ccc2nccc(N[C@H](c3ccc(Cl)cc3)c3ccc(CN4CCOCC4)cc3)c2c1 ZINC000040973155 563161477 /nfs/dbraw/zinc/16/14/77/563161477.db2.gz MZZHCEWENNMTCB-NDEPHWFRSA-N 0 3 474.004 5.931 1 0 JKAFHN COc1ccc2nccc(N[C@@H](c3ccc(Cl)cc3)c3ccc(CN4CCOCC4)cc3)c2c1 ZINC000040973157 563161497 /nfs/dbraw/zinc/16/14/97/563161497.db2.gz MZZHCEWENNMTCB-MUUNZHRXSA-N 0 3 474.004 5.931 1 0 JKAFHN O=C(NCc1ccc(O)cc1Cl)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000043013879 563164310 /nfs/dbraw/zinc/16/43/10/563164310.db2.gz GAHRODNBDYESRP-UHFFFAOYSA-N 0 3 491.941 5.384 1 0 JKAFHN Cc1ccc([C@@H](C)NC(=O)c2ccc(CC3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 ZINC000043060697 563165741 /nfs/dbraw/zinc/16/57/41/563165741.db2.gz PNGJBFIXTQALCW-JOCHJYFZSA-N 0 3 470.613 5.669 1 0 JKAFHN CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1 ZINC000043061417 563165807 /nfs/dbraw/zinc/16/58/07/563165807.db2.gz QCPXRXKBSRYKGN-HHHXNRCGSA-N 0 3 470.613 5.751 1 0 JKAFHN C[C@H](CNC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1 ZINC000043079023 563166914 /nfs/dbraw/zinc/16/69/14/563166914.db2.gz FEELMJWVBBMMQE-JOCHJYFZSA-N 0 3 470.613 5.404 1 0 JKAFHN C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2csc(c2)COC/1 ZINC000043153649 563168053 /nfs/dbraw/zinc/16/80/53/563168053.db2.gz HJLQTCJLJAJRFH-ONEGZZNKSA-N 0 3 478.618 5.026 1 0 JKAFHN Cc1cnc2nc1-c1ccc3ccn(c3c1)C/C=C\COCc1cc(ccc1OCCN1CCCC1)N2 ZINC000043198504 563168392 /nfs/dbraw/zinc/16/83/92/563168392.db2.gz LMRBJOUAEXZHHL-SNAWJCMRSA-N 0 3 495.627 5.711 1 0 JKAFHN Clc1ccc2c(c1)nccc2NCCCN1CCC(NC(c2ccccn2)c2ccccn2)CC1 ZINC000043205091 563168662 /nfs/dbraw/zinc/16/86/62/563168662.db2.gz QRCZXFIANKOFOR-UHFFFAOYSA-N 0 3 487.051 5.324 1 0 in-vivo JKAFHN CC(C)(C)c1cc(-c2csc(C3(N4CCCCC4)CCOCC3)n2)cc(C(C)(C)C)c1O ZINC000043205399 563168682 /nfs/dbraw/zinc/16/86/82/563168682.db2.gz COLTZBDSWGVCQJ-UHFFFAOYSA-N 0 3 456.696 6.602 1 0 JKAFHN CC(C)(C)c1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045167439 563173226 /nfs/dbraw/zinc/17/32/26/563173226.db2.gz VXBKAENMPJQXCU-HXUWFJFHSA-N 0 3 450.623 6.104 1 0 JKAFHN FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CNC[C@@H]5CCCO5)cc4)cc3)nc2c1 ZINC000045167576 563173279 /nfs/dbraw/zinc/17/32/79/563173279.db2.gz MCYRMHMUBOVYSG-QFIPXVFZSA-N 0 3 451.492 6.184 1 0 JKAFHN FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CNC[C@H]5CCCO5)cc4)cc3)nc2c1 ZINC000045167578 563173345 /nfs/dbraw/zinc/17/33/45/563173345.db2.gz MCYRMHMUBOVYSG-JOCHJYFZSA-N 0 3 451.492 6.184 1 0 JKAFHN COc1ccc(CN2CCC(Oc3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)CC2)cc1 ZINC000045167803 563173434 /nfs/dbraw/zinc/17/34/34/563173434.db2.gz ZGDRCCYVMUPPOA-UHFFFAOYSA-N 0 3 484.518 6.010 1 0 JKAFHN CC(C)(C)c1ccc(NC(=O)c2ccc(CN3CCCN(Cc4cccc(O)c4)CC3)cc2)cc1 ZINC000045168352 563173672 /nfs/dbraw/zinc/17/36/72/563173672.db2.gz CATWQWHWPRCGNA-UHFFFAOYSA-N 0 3 471.645 5.650 1 0 JKAFHN CCCC[C@@H](O)c1cc(O)c2c(c1)OC(C)(C)C[C@@H]2C1=CCN(Cc2ccc3ccccc3c2)CC1 ZINC000045168428 563173684 /nfs/dbraw/zinc/17/36/84/563173684.db2.gz AMLMFZFYSYRFNX-VSGBNLITSA-N 0 3 485.668 7.246 1 0 JKAFHN CCCC[C@H](O)c1cc(O)c2c(c1)OC(C)(C)C[C@H]2C1=CCN(Cc2ccc3ccccc3c2)CC1 ZINC000045168430 563173725 /nfs/dbraw/zinc/17/37/25/563173725.db2.gz AMLMFZFYSYRFNX-NSOVKSMOSA-N 0 3 485.668 7.246 1 0 JKAFHN CCc1ccccc1-c1csc(C(=O)NC[C@@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C2)c1 ZINC000045168918 563173894 /nfs/dbraw/zinc/17/38/94/563173894.db2.gz HHYOLQZXNIOQGD-QFIPXVFZSA-N 0 3 460.687 6.527 1 0 JKAFHN CN(C)CCN(C)Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccn3)cc2)o1 ZINC000045168742 563173914 /nfs/dbraw/zinc/17/39/14/563173914.db2.gz AXSKRKOTCHQSAC-UHFFFAOYSA-N 0 3 493.611 6.419 1 0 JKAFHN O=C(NC1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1)c1cc2ccccc2[nH]1 ZINC000045187842 563174597 /nfs/dbraw/zinc/17/45/97/563174597.db2.gz DPLHZOVMOUDFQJ-UHFFFAOYSA-N 0 3 470.539 5.050 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccc(O)cc3)CC2)c1)c1cc2ccccc2o1 ZINC000045188293 563174861 /nfs/dbraw/zinc/17/48/61/563174861.db2.gz CEUBRSZPMPSXII-UHFFFAOYSA-N 0 3 455.558 5.099 1 0 JKAFHN Cc1ccc(CN2CCCN(Cc3cccc(C(=O)Nc4ccc(C(C)(C)C)cc4)c3)CC2)s1 ZINC000045188355 563174864 /nfs/dbraw/zinc/17/48/64/563174864.db2.gz FIXPTZDIKGQFPH-UHFFFAOYSA-N 0 3 475.702 6.314 1 0 JKAFHN O=C(NC[C@H]1CCN(Cc2cccc(F)c2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045188307 563174874 /nfs/dbraw/zinc/17/48/74/563174874.db2.gz VZRVWBRPHQMPPK-QGZVFWFLSA-N 0 3 462.512 5.825 1 0 JKAFHN O=C(NC[C@@H]1CCN(Cc2cccc(F)c2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045188310 563174877 /nfs/dbraw/zinc/17/48/77/563174877.db2.gz VZRVWBRPHQMPPK-KRWDZBQOSA-N 0 3 462.512 5.825 1 0 JKAFHN O=S(=O)([N-]c1cccc(CCN2CCCC[C@@H]2CC[NH+]2CCCC2)c1)c1cccc2ccccc21 ZINC000045190497 563175519 /nfs/dbraw/zinc/17/55/19/563175519.db2.gz BUDJFHXEVXTTSN-HHHXNRCGSA-N 0 3 491.701 5.524 1 0 JKAFHN O=S(=O)([N-]c1cccc(CC[N@@H+]2CCCC[C@@H]2CCN2CCCC2)c1)c1cccc2ccccc21 ZINC000045190497 563175520 /nfs/dbraw/zinc/17/55/20/563175520.db2.gz BUDJFHXEVXTTSN-HHHXNRCGSA-N 0 3 491.701 5.524 1 0 JKAFHN O=S(=O)([N-]c1cccc(CC[N@H+]2CCCC[C@@H]2CCN2CCCC2)c1)c1cccc2ccccc21 ZINC000045190497 563175521 /nfs/dbraw/zinc/17/55/21/563175521.db2.gz BUDJFHXEVXTTSN-HHHXNRCGSA-N 0 3 491.701 5.524 1 0 JKAFHN O=C1OC2(CN1C[C@@H]1CCN(Cc3ccc(-n4ccnc4)cc3)C1)c1ccccc1-c1ccccc12 ZINC000045190277 563175528 /nfs/dbraw/zinc/17/55/28/563175528.db2.gz UZSXPNUFEKCDID-HSZRJFAPSA-N 0 3 476.580 5.071 1 0 JKAFHN COc1ccc(-c2ccc(CNC(=O)c3ccc(Cl)cc3)c(F)c2)cc1CN1CCCN(C)CC1 ZINC000045190662 563175722 /nfs/dbraw/zinc/17/57/22/563175722.db2.gz KWBWHIYWSDVNRF-UHFFFAOYSA-N 0 3 496.026 5.222 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccc4c(c3)OCO4)CC2)c1)c1ccc2ccccc2c1 ZINC000045191250 563175778 /nfs/dbraw/zinc/17/57/78/563175778.db2.gz MWBJQWMWXYLDJC-UHFFFAOYSA-N 0 3 493.607 5.529 1 0 JKAFHN CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C=C2C1=CCN(Cc2ccccc2)CC1 ZINC000045191222 563175802 /nfs/dbraw/zinc/17/58/02/563175802.db2.gz NMXWOLYSEHXODZ-UHFFFAOYSA-N 0 3 459.630 6.731 1 0 JKAFHN CN(C)[C@H](CNC(=O)c1cc(-c2ccncc2)c(-c2cc3ccccc3[nH]2)o1)c1ccccc1 ZINC000045196200 563177835 /nfs/dbraw/zinc/17/78/35/563177835.db2.gz QKFPZNHMFRECQN-RUZDIDTESA-N 0 3 450.542 5.523 1 0 JKAFHN CNc1ccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cc2)cc1 ZINC000045201823 563178504 /nfs/dbraw/zinc/17/85/04/563178504.db2.gz FTFMSVRGQFGVHE-UHFFFAOYSA-N 0 3 486.541 7.247 1 0 JKAFHN CC(=O)Nc1ccc(CN2CCC(N(C)c3ccc(NC(=O)c4cccc(C)c4)cc3)CC2)cc1 ZINC000045202615 563178851 /nfs/dbraw/zinc/17/88/51/563178851.db2.gz GOXSGZNOMXRMKK-UHFFFAOYSA-N 0 3 470.617 5.307 1 0 JKAFHN CC(=O)Nc1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045202931 563179107 /nfs/dbraw/zinc/17/91/07/563179107.db2.gz KGLSRXABOBPNTM-IBGZPJMESA-N 0 3 468.022 5.279 1 0 JKAFHN Cc1cccc2nc(-c3cccc(-c4ccc(CNCc5ccc(S(C)(=O)=O)cc5)cc4)c3)[nH]c21 ZINC000045210483 563179322 /nfs/dbraw/zinc/17/93/22/563179322.db2.gz RMMOVDZGRZLTMS-UHFFFAOYSA-N 0 3 481.621 5.899 1 0 JKAFHN O=C(Nc1cccc(F)c1)N1CCC(CN2CCOC(c3ccccc3)(c3ccccc3)C2)CC1 ZINC000045211056 563179484 /nfs/dbraw/zinc/17/94/84/563179484.db2.gz RYFPFUHKUUKLRJ-UHFFFAOYSA-N 0 3 473.592 5.346 1 0 JKAFHN Nc1cccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)c1 ZINC000045210718 563179526 /nfs/dbraw/zinc/17/95/26/563179526.db2.gz KZOHKPSNJBXTRJ-UHFFFAOYSA-N 0 3 478.543 6.849 1 0 JKAFHN Cc1cccc(CN2CCCN(Cc3ccc(C(=O)Nc4ccc(C(C)(C)C)cc4)cc3)CC2)c1 ZINC000045211221 563179705 /nfs/dbraw/zinc/17/97/05/563179705.db2.gz VVZXHWIHMISKAK-UHFFFAOYSA-N 0 3 469.673 6.253 1 0 JKAFHN O=S(=O)([N-]c1cccc(CCN2CCCC[C@H]2CC[NH+]2CCCC2)c1)c1ccc2ccccc2c1 ZINC000045226585 563179754 /nfs/dbraw/zinc/17/97/54/563179754.db2.gz YEAAANNSMPJFJL-NDEPHWFRSA-N 0 3 491.701 5.524 1 0 JKAFHN Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(C(C)C)c(OCCN(C)C)c4)cc3)c(C)c2)no1 ZINC000045226808 563179789 /nfs/dbraw/zinc/17/97/89/563179789.db2.gz XWYHFDTUTZCDEM-UHFFFAOYSA-N 0 3 498.627 6.337 1 0 JKAFHN CN1CCN(c2ccnc3ccc(NC(=O)Nc4cccc5c(Br)cccc45)cc32)CC1 ZINC000045227474 563180075 /nfs/dbraw/zinc/18/00/75/563180075.db2.gz BDODWNBXBGPCGY-UHFFFAOYSA-N 0 3 490.405 5.546 1 0 JKAFHN C[C@H]1C[C@H](NCCCNc2cc(=O)c3ccccc3[nH]2)c2cc(Cl)c(Cl)c(Cl)c21 ZINC000045227728 563180174 /nfs/dbraw/zinc/18/01/74/563180174.db2.gz VPQQBXYJMKGVQV-SJCJKPOMSA-N 0 3 450.797 6.128 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccsc3)CC2)c1)c1cc2ccccc2s1 ZINC000045228507 563180446 /nfs/dbraw/zinc/18/04/46/563180446.db2.gz MXBZEDAVTNXKEO-UHFFFAOYSA-N 0 3 461.656 5.923 1 0 JKAFHN CNc1ccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)cc1 ZINC000045228812 563180542 /nfs/dbraw/zinc/18/05/42/563180542.db2.gz VSIZFAIVUFTPSN-UHFFFAOYSA-N 0 3 492.570 7.309 1 0 JKAFHN COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1CN1CCCN(C)CC1 ZINC000045228961 563180552 /nfs/dbraw/zinc/18/05/52/563180552.db2.gz CLNVGOUDCGMAGO-UHFFFAOYSA-N 0 3 464.009 5.405 1 0 JKAFHN COCC[NH2+]Cc1cccc(-c2ccc3c(c2)nccc3Nc2cc([O-])c(Cl)cc2F)c1 ZINC000045228998 563180708 /nfs/dbraw/zinc/18/07/08/563180708.db2.gz URIKZWGHHSXACD-UHFFFAOYSA-N 0 3 451.929 5.880 1 0 JKAFHN C[C@@H]1C[C@@H](NCCCNc2cc(=O)c3ccccc3[nH]2)c2c1cc(Cl)c(Cl)c2Cl ZINC000045229456 563180831 /nfs/dbraw/zinc/18/08/31/563180831.db2.gz QPDFIYBQMXBUFK-SJKOYZFVSA-N 0 3 450.797 6.128 1 0 JKAFHN COc1ccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1CN1CCCN(C)CC1 ZINC000045230648 563181217 /nfs/dbraw/zinc/18/12/17/563181217.db2.gz JIJKPTCKVRRKTM-UHFFFAOYSA-N 0 3 464.009 5.405 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3cccc(O)c3)CC2)c1)c1ccc2ccccc2c1 ZINC000045231061 563181369 /nfs/dbraw/zinc/18/13/69/563181369.db2.gz SXYDDDCVEDNPSX-UHFFFAOYSA-N 0 3 465.597 5.506 1 0 JKAFHN O=C(CNCCNc1ccnc2cc(Cl)ccc21)N(Cc1ccccc1)Cc1ccccc1 ZINC000045245218 563181602 /nfs/dbraw/zinc/18/16/02/563181602.db2.gz ZIGMFJRMCMEZNJ-UHFFFAOYSA-N 0 3 458.993 5.119 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccsc3)CC2)cc1 ZINC000045258084 563182858 /nfs/dbraw/zinc/18/28/58/563182858.db2.gz NBTLLFDYGSFOBW-UHFFFAOYSA-N 0 3 491.701 6.084 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccoc3)CC2)cc1 ZINC000045261778 563183370 /nfs/dbraw/zinc/18/33/70/563183370.db2.gz IKBFUMQNTMWCJI-UHFFFAOYSA-N 0 3 461.606 5.312 1 0 JKAFHN COc1cccc2c1CCC[C@@H]2CCCN1CCN(CCC[C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000045291145 563184944 /nfs/dbraw/zinc/18/49/44/563184944.db2.gz XBUZAXHMKYCWDI-WMPKNSHKSA-N 0 3 490.732 6.422 1 0 JKAFHN COc1cccc2c1CCC[C@@H]2CCCN1CCN(CCC[C@H]2CCCc3c(OC)cccc32)CC1 ZINC000045291151 563184985 /nfs/dbraw/zinc/18/49/85/563184985.db2.gz XBUZAXHMKYCWDI-CLJLJLNGSA-N 0 3 490.732 6.422 1 0 JKAFHN CC(C)(C)c1ccc(NC(=O)c2cccc(CN3CCCN(Cc4cccc(O)c4)CC3)c2)cc1 ZINC000045301238 563185831 /nfs/dbraw/zinc/18/58/31/563185831.db2.gz LTJPZFZNHVQYLV-UHFFFAOYSA-N 0 3 471.645 5.650 1 0 JKAFHN OCCN1CCN(Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)c2)CC1 ZINC000045302483 563186439 /nfs/dbraw/zinc/18/64/39/563186439.db2.gz YMNUKCFSHYOBNW-UHFFFAOYSA-N 0 3 486.563 5.087 1 0 JKAFHN OCCN1CCN(Cc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)c2)CC1 ZINC000045302483 563186440 /nfs/dbraw/zinc/18/64/40/563186440.db2.gz YMNUKCFSHYOBNW-UHFFFAOYSA-N 0 3 486.563 5.087 1 0 JKAFHN O=C(Nc1ccc2c(c1)CCN2[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2F)C1)c1ccco1 ZINC000045302567 563186510 /nfs/dbraw/zinc/18/65/10/563186510.db2.gz YGDXKCQEVCIBDQ-FQEVSTJZSA-N 0 3 473.470 5.327 1 0 JKAFHN O[C@H]1CCCN(Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045302688 563186637 /nfs/dbraw/zinc/18/66/37/563186637.db2.gz LPUDRTAQFVMIEN-QFIPXVFZSA-N 0 3 451.492 5.872 1 0 JKAFHN c1cnc2ccc(NCc3cccc(-c4cccc(CNCc5ccc6c(c5)OCO6)c4)c3)cc2c1 ZINC000045302735 563186765 /nfs/dbraw/zinc/18/67/65/563186765.db2.gz LZGVAIACALVOJF-UHFFFAOYSA-N 0 3 473.576 6.532 1 0 JKAFHN COC(=O)c1cccc(CNCc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)c1 ZINC000045302856 563186889 /nfs/dbraw/zinc/18/68/89/563186889.db2.gz UNYJZUWQFKQIOQ-UHFFFAOYSA-N 0 3 471.557 6.174 1 0 JKAFHN CN1CC=C(c2csc3ccc(NC(=O)Nc4ccc(-c5ccncc5)c(Cl)c4)cc32)CC1 ZINC000045303126 563187121 /nfs/dbraw/zinc/18/71/21/563187121.db2.gz YATONERYAPXRNS-UHFFFAOYSA-N 0 3 475.017 6.980 1 0 JKAFHN Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCCC1 ZINC000045316300 563187404 /nfs/dbraw/zinc/18/74/04/563187404.db2.gz HCFRDUQORZMNOS-UHFFFAOYSA-N 0 3 488.419 5.903 1 0 JKAFHN CS(=O)(=O)c1ccc(CNCc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)cc1 ZINC000045315948 563187425 /nfs/dbraw/zinc/18/74/25/563187425.db2.gz WMRHXDWNVZKNGF-UHFFFAOYSA-N 0 3 485.584 5.729 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccsc3)CC2)cc1 ZINC000045318698 563187716 /nfs/dbraw/zinc/18/77/16/563187716.db2.gz HKTMYGZLERUFSV-UHFFFAOYSA-N 0 3 477.674 5.781 1 0 JKAFHN O=c1cc(NCCCN[C@H]2CCCc3c(Cl)c(Cl)c(Cl)cc32)[nH]c2ccccc12 ZINC000045321775 563188267 /nfs/dbraw/zinc/18/82/67/563188267.db2.gz JPFCROIMCJVOKU-KRWDZBQOSA-N 0 3 450.797 5.958 1 0 JKAFHN Cc1ccc(NC(=O)c2ccc(CN3CCCN(Cc4cccc(Cl)c4)CC3)cc2)cc1C ZINC000045324577 563189314 /nfs/dbraw/zinc/18/93/14/563189314.db2.gz QMRSLORKJSBXKS-UHFFFAOYSA-N 0 3 462.037 5.917 1 0 JKAFHN CN1CCN(c2ccnc3ccc(NC(=O)Nc4cccc5c(-c6ccncc6)cccc45)cc32)CC1 ZINC000045336224 563190250 /nfs/dbraw/zinc/19/02/50/563190250.db2.gz PNWZGNPBLOWPSF-UHFFFAOYSA-N 0 3 488.595 5.846 1 0 JKAFHN Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)cc2)c1 ZINC000045336812 563190341 /nfs/dbraw/zinc/19/03/41/563190341.db2.gz BKRCTSIIKALKSA-UHFFFAOYSA-N 0 3 498.630 7.767 1 0 JKAFHN Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3cccc(-c4nc5cccc(C)c5[nH]4)c3)cc2)c1 ZINC000045336812 563190342 /nfs/dbraw/zinc/19/03/42/563190342.db2.gz BKRCTSIIKALKSA-UHFFFAOYSA-N 0 3 498.630 7.767 1 0 JKAFHN COC(=O)C[C@@H]1c2ccccc2NC(=NCCCCCNC(=O)OC(C)(C)C)N1c1ccccc1 ZINC000045338843 563190887 /nfs/dbraw/zinc/19/08/87/563190887.db2.gz BCKICSSPDNUGHL-HSZRJFAPSA-N 0 3 480.609 5.083 1 0 JKAFHN Cc1ccc(Cn2cnc3cc(C(=O)Nc4ccc(-c5ccc(CN(C)C)cc5)cc4)ccc3c2=O)o1 ZINC000045339531 563191154 /nfs/dbraw/zinc/19/11/54/563191154.db2.gz BSRQCQQJJYCCPP-UHFFFAOYSA-N 0 3 492.579 5.327 1 0 JKAFHN O=C1c2cc([O-])ccc2-c2c1c1cc(F)ccc1nc2-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000045385509 563194433 /nfs/dbraw/zinc/19/44/33/563194433.db2.gz KTOXLSGCIXUWEO-UHFFFAOYSA-N 0 3 454.501 5.433 1 0 JKAFHN OC1(c2ccc(Cl)cc2)CCN(CCCN(Cc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000045388230 563194832 /nfs/dbraw/zinc/19/48/32/563194832.db2.gz HBWUNWKYYAZMPM-UHFFFAOYSA-N 0 3 469.456 6.374 1 0 JKAFHN O=C(c1ccc(Cn2c3ccccc3nc2-c2ccccc2)cc1)N1CC[C@H](N2CCCC2)C1 ZINC000045391084 563195086 /nfs/dbraw/zinc/19/50/86/563195086.db2.gz ADZIWICILUZNFO-VWLOTQADSA-N 0 3 450.586 5.062 1 0 JKAFHN CN(CC(=O)N(C)[C@@H](CN1CCCC1)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000045497204 563196028 /nfs/dbraw/zinc/19/60/28/563196028.db2.gz FCGNBJORLIKCKE-MHZLTWQESA-N 0 3 496.482 6.392 1 0 JKAFHN O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000045505755 563196368 /nfs/dbraw/zinc/19/63/68/563196368.db2.gz LZWDVLLURPUKQS-UHFFFAOYSA-N 0 3 467.657 5.621 1 0 JKAFHN Cc1ccoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)n1C ZINC000049021274 563197758 /nfs/dbraw/zinc/19/77/58/563197758.db2.gz OWNUCKLLDLFPLN-PGRDOPGGSA-N 0 3 462.541 5.158 1 0 JKAFHN c1ccc(C(CCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1 ZINC000049032695 563198014 /nfs/dbraw/zinc/19/80/14/563198014.db2.gz PIRRXQFOIGSAFB-UHFFFAOYSA-N 0 3 488.719 7.786 1 0 JKAFHN CCCN(Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)CC1CCC1 ZINC000049035289 563198690 /nfs/dbraw/zinc/19/86/90/563198690.db2.gz YWYFDSAHURUBCH-UHFFFAOYSA-N 0 3 466.979 6.735 1 0 JKAFHN CCCN(Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1ccc(OC)cc1C)CC1CC1 ZINC000049045598 563199283 /nfs/dbraw/zinc/19/92/83/563199283.db2.gz GXOIKFZNFZSRBD-UHFFFAOYSA-N 0 3 454.924 5.736 1 0 JKAFHN CC[NH+](CC)CCOc1ccc([C@@H]2Oc3cc(F)ccc3C3=C2c2ccc([O-])cc2OCC3)cc1 ZINC000049046742 563199441 /nfs/dbraw/zinc/19/94/41/563199441.db2.gz FEVNXNWGPTZNEC-LJAQVGFWSA-N 0 3 475.560 6.079 1 0 JKAFHN [O-]c1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCCCC3)cc1)C1=C2CCOc2ccccc21 ZINC000049048434 563199588 /nfs/dbraw/zinc/19/95/88/563199588.db2.gz YVAJBGGOMIUCAI-WJOKGBTCSA-N 0 3 483.608 6.474 1 0 JKAFHN CC[NH+](CC)CCOc1ccc([C@@H]2Oc3ccccc3C3=C2c2ccc([O-])cc2OCC3)cc1 ZINC000049047995 563199631 /nfs/dbraw/zinc/19/96/31/563199631.db2.gz KOJRQQVBJKHPBA-LJAQVGFWSA-N 0 3 457.570 5.940 1 0 JKAFHN CC[NH+](CC)CCOc1ccc([C@H]2Oc3cc(F)ccc3C3=C2c2ccc([O-])cc2OCC3)cc1 ZINC000049111490 563202321 /nfs/dbraw/zinc/20/23/21/563202321.db2.gz FEVNXNWGPTZNEC-GDLZYMKVSA-N 0 3 475.560 6.079 1 0 JKAFHN COc1ccc2c(c1)OCCC1=C2[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21 ZINC000049112764 563202515 /nfs/dbraw/zinc/20/25/15/563202515.db2.gz BHYFKQDXXVAJEL-HKBQPEDESA-N 0 3 499.607 6.093 1 0 JKAFHN CCN(CCC1CC1)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000049124931 563202937 /nfs/dbraw/zinc/20/29/37/563202937.db2.gz HSWIUNPYQLVZTJ-UHFFFAOYSA-N 0 3 452.952 6.344 1 0 JKAFHN CCN1CCC(N(C(=O)NCc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc2)CC1 ZINC000049125710 563202963 /nfs/dbraw/zinc/20/29/63/563202963.db2.gz MKHLHHYHLOXGTK-UHFFFAOYSA-N 0 3 485.253 5.956 1 0 JKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000052603744 563204874 /nfs/dbraw/zinc/20/48/74/563204874.db2.gz VOLDNXUFIUKWPL-WIIGKZCBSA-N 0 3 478.652 5.754 1 0 JKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000052603744 563204875 /nfs/dbraw/zinc/20/48/75/563204875.db2.gz VOLDNXUFIUKWPL-WIIGKZCBSA-N 0 3 478.652 5.754 1 0 JKAFHN CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)n2)s1 ZINC000053084235 563205032 /nfs/dbraw/zinc/20/50/32/563205032.db2.gz IVJHDSQPCKCYIW-UHFFFAOYSA-N 0 3 471.634 5.016 1 0 JKAFHN CCCc1nc(-c2ccccc2)c(CNCCCN2CCN(c3ccccc3C(F)(F)F)CC2)o1 ZINC000053296360 563205652 /nfs/dbraw/zinc/20/56/52/563205652.db2.gz FMGDOVMPBWVICO-UHFFFAOYSA-N 0 3 486.582 5.615 1 0 JKAFHN C[C@@H](COC(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000059033036 563208736 /nfs/dbraw/zinc/20/87/36/563208736.db2.gz ZZCOBRRMCZXMNJ-QHCPKHFHSA-N 0 3 498.627 5.194 1 0 JKAFHN C[C@H](NC(=O)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)c1cccc2ccccc21 ZINC000061897342 563209820 /nfs/dbraw/zinc/20/98/20/563209820.db2.gz AZSPFDMYBYLBOG-QHCPKHFHSA-N 0 3 464.609 6.722 3 0 JKAFHN O=C(N[C@H](c1ccsc1)c1ccccc1)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000061906707 563210539 /nfs/dbraw/zinc/21/05/39/563210539.db2.gz GTNQZLMXTGNFIR-LJAQVGFWSA-N 0 3 482.649 6.658 3 0 JKAFHN CN1CCN(c2ccnc3ccc(NC(=O)Nc4ccc(-c5ccncc5)c5ccccc45)cc32)CC1 ZINC000000586005 562918074 /nfs/dbraw/zinc/91/80/74/562918074.db2.gz INWVSUYEPSMMEP-UHFFFAOYSA-N 0 3 488.595 5.846 1 0 JKAFHN Cc1c(/C=C/CN(C)C)[nH]c(=O)c2c3c(ccc12)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000000591631 562918141 /nfs/dbraw/zinc/91/81/41/562918141.db2.gz PTCNTOQUSLUMLU-RMKNXTFCSA-N 0 3 456.377 5.348 1 0 JKAFHN Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc5c(c(OCCN(C)C)c4)OCC5)cc3)c(C)c2)no1 ZINC000000601006 562918494 /nfs/dbraw/zinc/91/84/94/562918494.db2.gz UPTIAAUBTFAGBK-UHFFFAOYSA-N 0 3 498.583 5.148 1 0 JKAFHN O=C(NCCN1CCCCC1)c1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)cc1 ZINC000000841247 562919332 /nfs/dbraw/zinc/91/93/32/562919332.db2.gz WPVPGOVQVGOWCX-UHFFFAOYSA-N 0 3 450.586 5.626 1 0 JKAFHN Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)C4(CO5)CCN(C)CC4)cc3)c(C)c2)no1 ZINC000001485293 562920191 /nfs/dbraw/zinc/92/01/91/562920191.db2.gz XNFJKHWCJLRFLZ-UHFFFAOYSA-N 0 3 494.595 5.629 1 0 JKAFHN O=C(c1c2ccc(O)cc2sc1Cc1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000001486719 562920267 /nfs/dbraw/zinc/92/02/67/562920267.db2.gz DGRCZOVLWRDDQI-UHFFFAOYSA-N 0 3 487.621 5.999 1 0 JKAFHN Oc1ccc([C@@H]2CCc3cc(O)ccc3N2Cc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000001489356 562920349 /nfs/dbraw/zinc/92/03/49/562920349.db2.gz IQBSKHUUKFFBOG-NDEPHWFRSA-N 0 3 458.602 5.657 1 0 JKAFHN CC/C(=C(\c1ccc(Br)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 ZINC000001533055 562920489 /nfs/dbraw/zinc/92/04/89/562920489.db2.gz QKCGCDADJBZFKY-QPLCGJKRSA-N 0 3 450.420 6.759 1 0 JKAFHN Oc1ccc2c(c1)sc1c2[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc2-1 ZINC000001545276 562921032 /nfs/dbraw/zinc/92/10/32/562921032.db2.gz TXINWSAFRMHRJC-MHZLTWQESA-N 0 3 473.594 6.326 1 0 JKAFHN Fc1ccc(C(c2ccc(F)cc2)C2CCN(CCOc3ccc4ccccc4c3)CC2)cc1 ZINC000003801046 562928505 /nfs/dbraw/zinc/92/85/05/562928505.db2.gz WSQNLPBESBYNDO-UHFFFAOYSA-N 0 3 457.564 7.041 1 0 JKAFHN C[C@@]1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1 ZINC000003816423 562928974 /nfs/dbraw/zinc/92/89/74/562928974.db2.gz KRKKFOHLNPZSHV-GDLZYMKVSA-N 0 3 460.593 5.722 1 0 JKAFHN COc1ccc(N2CC[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1 ZINC000003819078 562929183 /nfs/dbraw/zinc/92/91/83/562929183.db2.gz SGMGFHKFLMAIER-SANMLTNESA-N 0 3 491.459 5.807 1 0 JKAFHN COc1ccc([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000003987177 562931558 /nfs/dbraw/zinc/93/15/58/562931558.db2.gz QFCKEEGOMLEOKN-IBGZPJMESA-N 0 3 463.405 5.387 1 0 JKAFHN Cc1ccc(S(=O)(=O)N(CCN)c2cc3c4c(c2)Oc2cccc5c2C4c2c(cccc2O3)O5)cc1 ZINC000005922599 562935756 /nfs/dbraw/zinc/93/57/56/562935756.db2.gz BUGVTHSRUAINBM-UHFFFAOYSA-N 0 3 498.560 5.646 1 0 JKAFHN OC1(c2cccnc2)CCN(Cc2ccc3c(c2)CN(Cc2cc4ccccc4s2)CCO3)CC1 ZINC000011783522 562957588 /nfs/dbraw/zinc/95/75/88/562957588.db2.gz HSJYUZQUWGQGBA-UHFFFAOYSA-N 0 3 485.653 5.175 1 0 JKAFHN COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2ccc(-c4ccc(C)o4)cc2)CCO3)C1 ZINC000011980097 562958155 /nfs/dbraw/zinc/95/81/55/562958155.db2.gz PQOIHLKJZORAIP-QHCPKHFHSA-N 0 3 474.601 5.148 1 0 JKAFHN CCCn1c(C2CCN(C)CC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CC2)n1 ZINC000012153007 562959337 /nfs/dbraw/zinc/95/93/37/562959337.db2.gz XCTKFTOEAKJMII-UHFFFAOYSA-N 0 3 485.463 6.107 1 0 in-vivo JKAFHN Oc1ccc([C@@H]2Sc3cc(O)ccc3O[C@@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000012503886 562960357 /nfs/dbraw/zinc/96/03/57/562960357.db2.gz TWZNCTCQAGRUGQ-SXOMAYOGSA-N 0 3 463.599 5.930 1 0 JKAFHN O=C(CCCN1CCC2(CC1)C(=O)N(Cc1ccccc1)CN2c1ccccc1)c1ccc(F)cc1 ZINC000013448520 562964498 /nfs/dbraw/zinc/96/44/98/562964498.db2.gz JASOLEMXZHFMTL-UHFFFAOYSA-N 0 3 485.603 5.130 1 0 JKAFHN CCCCc1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN(CCC)CCC)cc1 ZINC000013451409 562964712 /nfs/dbraw/zinc/96/47/12/562964712.db2.gz PZXRALDBEBRMAP-UHFFFAOYSA-N 0 3 470.679 6.006 1 0 JKAFHN COc1cc2c(cc1OCCN(C)c1ccncc1)ncnc2Nc1ccc(Cl)cc1F ZINC000013472787 562966013 /nfs/dbraw/zinc/96/60/13/562966013.db2.gz HTZZYCNEQVCJJB-UHFFFAOYSA-N 0 3 453.905 5.085 1 0 JKAFHN COc1cc2c(cc1OC[C@H]1CCCN(C)C1)ncnc2Nc1ccc(Br)cc1F ZINC000013472800 562966065 /nfs/dbraw/zinc/96/60/65/562966065.db2.gz JFGLOXKNWPNMQT-AWEZNQCLSA-N 0 3 475.362 5.004 1 0 JKAFHN Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000013474980 562966877 /nfs/dbraw/zinc/96/68/77/562966877.db2.gz FMNMLKWJLFYSMF-UHFFFAOYSA-N 0 3 497.477 5.656 1 0 JKAFHN COc1cccc(NC(=O)Nc2ccccc2[C@@H](O)CN2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013475803 562967024 /nfs/dbraw/zinc/96/70/24/562967024.db2.gz MTVAGODSWYYKMQ-MHZLTWQESA-N 0 3 477.580 5.466 1 0 JKAFHN O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013479578 562967470 /nfs/dbraw/zinc/96/74/70/562967470.db2.gz CZNWHUFRZNZRGS-OJDZSJEKSA-N 0 3 488.716 6.080 1 0 JKAFHN O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013479578 562967471 /nfs/dbraw/zinc/96/74/71/562967471.db2.gz CZNWHUFRZNZRGS-OJDZSJEKSA-N 0 3 488.716 6.080 1 0 JKAFHN CN(C[C@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 ZINC000013479374 562967484 /nfs/dbraw/zinc/96/74/84/562967484.db2.gz RJQZUKFOHCVBIK-VWLOTQADSA-N 0 3 498.639 5.639 1 0 JKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)N1c2ccc(O)cc2CC[C@H]1c1ccc(O)cc1 ZINC000013490109 562969185 /nfs/dbraw/zinc/96/91/85/562969185.db2.gz KUBYSGIGKNDGJE-MHZLTWQESA-N 0 3 472.585 5.297 1 0 JKAFHN CC(C)CCO[C@]12Cc3c4ccccc4[nH]c3[C@]3(C)Oc4c5c(ccc4O)C[C@H]1N(C)CC[C@]532 ZINC000013492435 562969793 /nfs/dbraw/zinc/96/97/93/562969793.db2.gz PDNNXPXHZMQCLQ-FQYQUSJJSA-N 0 3 458.602 5.037 1 0 JKAFHN Cc1c(C=CCN2CCCC2)[nH]c(=O)c2c3c(ccc12)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000013494064 562970418 /nfs/dbraw/zinc/97/04/18/562970418.db2.gz ZWFNMGJKBVEOCV-RMKNXTFCSA-N 0 3 482.415 6.295 1 0 JKAFHN Fc1ccc(C(OCCC2CCN(Cc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000013494210 562970523 /nfs/dbraw/zinc/97/05/23/562970523.db2.gz DDANNZYWEFCOAP-UHFFFAOYSA-N 0 3 455.976 7.027 1 0 JKAFHN COc1ccccc1CN1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013494204 562970532 /nfs/dbraw/zinc/97/05/32/562970532.db2.gz VZFMTXQAXOANPT-UHFFFAOYSA-N 0 3 451.557 6.382 1 0 JKAFHN CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(CCCc1ccccc1)Cc1c2ccccc2[nH]c1[C@@H]3O5 ZINC000013517838 562970629 /nfs/dbraw/zinc/97/06/29/562970629.db2.gz PPEVMLHWEDYTPY-IOUGBZEOSA-N 0 3 476.620 6.071 1 0 JKAFHN Cc1ccc(N2CCc3cc(O)ccc3[C@@]2(C)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013523299 562971017 /nfs/dbraw/zinc/97/10/17/562971017.db2.gz OEUOOFPMSZOWIR-SSEXGKCCSA-N 0 3 456.630 5.892 1 0 JKAFHN CC(C)c1cccc(N2CCc3cc(O)ccc3[C@]2(C)c2ccc(OCCN3CCCCC3)cc2)c1 ZINC000013523389 562971149 /nfs/dbraw/zinc/97/11/49/562971149.db2.gz FZFDZCOFXXVCFT-YTTGMZPUSA-N 0 3 484.684 6.707 1 0 JKAFHN C[C@@]1(c2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccc(Cl)cc1 ZINC000013523328 562971152 /nfs/dbraw/zinc/97/11/52/562971152.db2.gz VFTGSSVGPZVFJF-GDLZYMKVSA-N 0 3 477.048 6.237 1 0 JKAFHN COc1cc2c(cc1OC)CN(CC[C@H](Oc1ccccc1C(F)(F)F)c1ccccc1)CC2 ZINC000013530643 562972198 /nfs/dbraw/zinc/97/21/98/562972198.db2.gz PHROZENPFSAKEV-QHCPKHFHSA-N 0 3 471.519 6.291 1 0 JKAFHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 ZINC000013532173 562972333 /nfs/dbraw/zinc/97/23/33/562972333.db2.gz WILNJBJZWIOTDZ-AREMUKBSSA-N 0 3 495.648 6.711 1 0 JKAFHN COc1cccc2sc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)cc21 ZINC000013535644 562972658 /nfs/dbraw/zinc/97/26/58/562972658.db2.gz CBTPCFLJYTWCHA-OTWHNJEPSA-N 0 3 450.604 5.399 1 0 JKAFHN COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)cc21 ZINC000013535639 562972666 /nfs/dbraw/zinc/97/26/66/562972666.db2.gz CBTPCFLJYTWCHA-FHWLQOOXSA-N 0 3 450.604 5.399 1 0 JKAFHN CCOc1ccc(CC2=C(CCCc3cccc4ccccc43)N3CCCN=C3c3ccccc32)cc1 ZINC000013555280 562973657 /nfs/dbraw/zinc/97/36/57/562973657.db2.gz OSVZPANQTJOTKQ-UHFFFAOYSA-N 0 3 486.659 7.681 1 0 JKAFHN COc1ccc2c(c1)CCC1=C2N(c2ccc(OCCN3CCCCC3)cc2)Cc2cc(OC)ccc21 ZINC000013558513 562974382 /nfs/dbraw/zinc/97/43/82/562974382.db2.gz VKROJUYLNSGJDN-UHFFFAOYSA-N 0 3 496.651 6.403 1 0 JKAFHN COc1ccc2cc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc54)[C@@H](C)C3)sc2c1 ZINC000013587189 562976863 /nfs/dbraw/zinc/97/68/63/562976863.db2.gz OVGLJCMSYVKXAS-TYPHKJRUSA-N 0 3 464.631 5.707 1 0 JKAFHN COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc54)[C@H](C)C3)cc21 ZINC000013587183 562976902 /nfs/dbraw/zinc/97/69/02/562976902.db2.gz MBTNZOCGXGVNLT-AABGKKOBSA-N 0 3 464.631 5.707 1 0 JKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CC[C@H](c3cc4cccc(F)c4s3)C[C@@H]2C)[nH]1 ZINC000013587185 562976916 /nfs/dbraw/zinc/97/69/16/562976916.db2.gz LVZXIRSLFCVVQC-BJLQDIEVSA-N 0 3 452.595 5.838 1 0 JKAFHN COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5oc(C)cc54)[C@H](C)C3)cc21 ZINC000013587204 562977048 /nfs/dbraw/zinc/97/70/48/562977048.db2.gz NNWMNOCTZDIGBT-HOJAQTOUSA-N 0 3 465.615 5.972 1 0 JKAFHN Oc1ccc2c(c1)CC[C@@]21C=C(c2ccc(OCCN3CCCCC3)c(F)c2)c2cc(O)ccc21 ZINC000013587752 562977350 /nfs/dbraw/zinc/97/73/50/562977350.db2.gz WVMNZAJEQFUSRW-SSEXGKCCSA-N 0 3 471.572 5.779 1 0 JKAFHN Oc1ccc2c(c1)CC[C@]21C=C(c2cccc(OCCN3CCCCC3)c2)c2cc(O)ccc21 ZINC000013587755 562977387 /nfs/dbraw/zinc/97/73/87/562977387.db2.gz CIRQCIBUOZFBLG-PMERELPUSA-N 0 3 453.582 5.640 1 0 JKAFHN Cc1cc(C2=C[C@@]3(CCc4cc(O)ccc43)c3ccc(O)cc32)ccc1OCCN1CCCCC1 ZINC000013587746 562977389 /nfs/dbraw/zinc/97/73/89/562977389.db2.gz AEGJDPQYCCTKOJ-WJOKGBTCSA-N 0 3 467.609 5.949 1 0 JKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1cccc(OCCc2ccc(Cl)cc2Cl)c1 ZINC000013643379 562980488 /nfs/dbraw/zinc/98/04/88/562980488.db2.gz AQDTWVBZQDZQEZ-UHFFFAOYSA-N 0 3 484.427 5.656 1 0 JKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Cl)c(OCCc2ccc(Cl)cc2)c1 ZINC000013643408 562980539 /nfs/dbraw/zinc/98/05/39/562980539.db2.gz HGCZXLJPRIDMSF-UHFFFAOYSA-N 0 3 484.427 5.656 1 0 JKAFHN Cc1ccc(O)c(NCCCN2CCC([C@@](O)(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000013651774 562981673 /nfs/dbraw/zinc/98/16/73/562981673.db2.gz ABUYFUJGCNZMKE-MUUNZHRXSA-N 0 3 465.037 5.804 1 0 JKAFHN Cc1c(C(=O)c2cccc(I)c2)c2ccccc2n1C[C@H]1CCCCN1C ZINC000013674197 562982932 /nfs/dbraw/zinc/98/29/32/562982932.db2.gz NPMAIGLJNFICKY-LJQANCHMSA-N 0 3 472.370 5.270 1 0 JKAFHN COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(OC(C)C)cc1 ZINC000013676664 562983486 /nfs/dbraw/zinc/98/34/86/562983486.db2.gz OIZQXQPFKPCWLD-UHFFFAOYSA-N 0 3 481.589 5.117 1 0 JKAFHN COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4ccccc4nc4c3CCCC4)c2c1 ZINC000013679417 562984051 /nfs/dbraw/zinc/98/40/51/562984051.db2.gz BGQKPFJETYONAB-UHFFFAOYSA-N 0 3 484.644 5.935 1 0 JKAFHN O=C(CCCCCNc1c2ccccc2nc2c1CCCC2)NCCc1c[nH]c2ccccc12 ZINC000013679404 562984055 /nfs/dbraw/zinc/98/40/55/562984055.db2.gz FKFJZGFHHCYXOR-UHFFFAOYSA-N 0 3 454.618 5.926 1 0 JKAFHN Cc1ccnc(N2CCN(CCc3c4cccc5c4n(c3Cc3ccccc3)CCC5)CC2)c1 ZINC000013740419 562986748 /nfs/dbraw/zinc/98/67/48/562986748.db2.gz CDYJDYXEQYKXMZ-UHFFFAOYSA-N 0 3 450.630 5.246 1 0 JKAFHN Cc1ccnc(N2CCN(CCc3c4cccc5c4n(c3-c3ccc(Cl)cc3)CCC5)CC2)c1 ZINC000013740416 562986780 /nfs/dbraw/zinc/98/67/80/562986780.db2.gz GIAQGHCGZWYVDM-UHFFFAOYSA-N 0 3 471.048 5.976 1 0 JKAFHN Cc1c(CCN2CCN(c3cc(C)ccn3)CC2)c2cc(CC3CCCCC3)cc3c2n1CCC3 ZINC000013740436 562986843 /nfs/dbraw/zinc/98/68/43/562986843.db2.gz RTHXVABBASSMJG-UHFFFAOYSA-N 0 3 470.705 6.087 1 0 JKAFHN Fc1ccc(-n2cc(CCCCN3CCC4(CC3)Oc3ccccc3O4)c3ccccc32)cc1 ZINC000013741549 562987132 /nfs/dbraw/zinc/98/71/32/562987132.db2.gz VDSUVFDBBWXUAE-UHFFFAOYSA-N 0 3 456.561 6.356 1 0 JKAFHN O=C1OC2(CN1C(c1ccccc1)c1ccccc1)CCN(CCc1c[nH]c3ccc(F)cc13)CC2 ZINC000013743436 562987738 /nfs/dbraw/zinc/98/77/38/562987738.db2.gz RCBLEPQBUGRHQD-UHFFFAOYSA-N 0 3 483.587 5.926 1 0 JKAFHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c2ccccc21 ZINC000013758037 562988896 /nfs/dbraw/zinc/98/88/96/562988896.db2.gz RVRBBMLDJGOSIK-HSZRJFAPSA-N 0 3 482.411 6.289 1 0 JKAFHN C[C@@H]1SC(C)(C)C(=O)N1CCCCN1CCN(c2cn(-c3ccccc3)c3cc(F)ccc23)CC1 ZINC000013759419 562989267 /nfs/dbraw/zinc/98/92/67/562989267.db2.gz JESULJQFGFJISO-NRFANRHFSA-N 0 3 494.680 5.372 1 0 JKAFHN C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)CNC1CCCCC1 ZINC000013776493 562990935 /nfs/dbraw/zinc/99/09/35/562990935.db2.gz KFLBEAYTFPCXQP-ALNAVXNJSA-N 0 3 491.676 5.511 1 0 JKAFHN Oc1ccc2c(c1)sc1c2[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2ccccc2-1 ZINC000013779328 562991400 /nfs/dbraw/zinc/99/14/00/562991400.db2.gz CDLTVDHDPPXVPQ-MHZLTWQESA-N 0 3 457.595 6.620 1 0 JKAFHN Oc1ccc2c3c1O[C@H]1c4[nH]c5c(cccc5-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000013780470 562991765 /nfs/dbraw/zinc/99/17/65/562991765.db2.gz PKDUVBIPSGHDLQ-DZVDWBIPSA-N 0 3 490.603 5.240 1 0 JKAFHN CN(CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccccc1 ZINC000013781680 562992244 /nfs/dbraw/zinc/99/22/44/562992244.db2.gz XKMYQBUHKIAVCW-AREMUKBSSA-N 0 3 468.707 6.083 1 0 JKAFHN CCCCOc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000013782342 562992489 /nfs/dbraw/zinc/99/24/89/562992489.db2.gz SOGWYZDGHVLHEJ-UHFFFAOYSA-N 0 3 450.410 5.209 1 0 JKAFHN O=C1N(CCC2CCN(C[C@H]3COc4ccccc4O3)CC2)CCN1c1c(Cl)cccc1Cl ZINC000013813720 562996124 /nfs/dbraw/zinc/99/61/24/562996124.db2.gz ZJFDCQNJERMIKE-IBGZPJMESA-N 0 3 490.431 5.178 1 0 JKAFHN O=C(c1ccc(Br)cc1)N(c1cccnc1)C1CCN(Cc2ccccc2)CC1 ZINC000013817802 562996952 /nfs/dbraw/zinc/99/69/52/562996952.db2.gz CJLABAFJLFSHBB-UHFFFAOYSA-N 0 3 450.380 5.156 1 0 JKAFHN O=C(CCCN1CCN(c2ccc(O)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000013820083 562997334 /nfs/dbraw/zinc/99/73/34/562997334.db2.gz PVGRXRSXTCDHLV-FFCVWOAGSA-N 0 3 479.690 5.064 1 0 JKAFHN CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1CN(C)C ZINC000013827788 562998826 /nfs/dbraw/zinc/99/88/26/562998826.db2.gz SAQYUQQUJBPJSR-UHFFFAOYSA-N 0 3 477.653 5.701 1 0 JKAFHN CCCN1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000013829753 562999151 /nfs/dbraw/zinc/99/91/51/562999151.db2.gz SNZNPBVJTMVVSC-OAQYLSRUSA-N 0 3 461.469 5.097 1 0 JKAFHN CC(C)CN1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000013829944 562999220 /nfs/dbraw/zinc/99/92/20/562999220.db2.gz QJZFDTSDTBWLAC-JOCHJYFZSA-N 0 3 475.496 5.343 1 0 JKAFHN O=C(c1c2ccccc2sc1-c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834286 563000868 /nfs/dbraw/zinc/00/08/68/563000868.db2.gz UAUVDTRIPPZZCC-UHFFFAOYSA-N 0 3 457.595 6.370 1 0 JKAFHN O=C(c1c2ccc(O)cc2sc1-c1ccncc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834335 563000924 /nfs/dbraw/zinc/00/09/24/563000924.db2.gz NFNXPTWQUQEWLN-UHFFFAOYSA-N 0 3 458.583 5.765 1 0 JKAFHN Cc1cc2c(cc1O)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834297 563000938 /nfs/dbraw/zinc/00/09/38/563000938.db2.gz TYWPPVCVKAZTEY-UHFFFAOYSA-N 0 3 487.621 6.384 1 0 JKAFHN Cc1cc(O)ccc1-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834313 563000975 /nfs/dbraw/zinc/00/09/75/563000975.db2.gz WKGYLLVUZFUDMJ-UHFFFAOYSA-N 0 3 487.621 6.384 1 0 JKAFHN O=C(c1c2cc(O)ccc2sc1-c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834293 563000997 /nfs/dbraw/zinc/00/09/97/563000997.db2.gz DZRXWLPTGRQBHC-UHFFFAOYSA-N 0 3 473.594 6.075 1 0 JKAFHN Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Br)cc3)ccc2n1 ZINC000013835526 563001393 /nfs/dbraw/zinc/00/13/93/563001393.db2.gz NYVHPWQPFYEOAS-UHFFFAOYSA-N 0 3 462.347 5.719 1 0 JKAFHN Fc1ccc(N2CCN(CC[C@@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1 ZINC000013861730 563002542 /nfs/dbraw/zinc/00/25/42/563002542.db2.gz IWEYSMKGYWBMOK-RUZDIDTESA-N 0 3 458.499 6.177 1 0 JKAFHN CS(=O)(=O)Nc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013862276 563002786 /nfs/dbraw/zinc/00/27/86/563002786.db2.gz PAHPPCVLEUXOFZ-UHFFFAOYSA-N 0 3 478.658 5.466 1 0 JKAFHN CCN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(CC)CC ZINC000013862483 563002858 /nfs/dbraw/zinc/00/28/58/563002858.db2.gz OAZCJLGQSAKQHS-UHFFFAOYSA-N 0 3 451.614 6.406 1 0 JKAFHN COc1c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc(Br)c2ccccc21 ZINC000013862879 563003084 /nfs/dbraw/zinc/00/30/84/563003084.db2.gz UGGRLDVMPAOIFF-GOSISDBHSA-N 0 3 453.380 5.005 1 0 JKAFHN Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3Cc2cc3ccccc3[nH]2)c2ccc(F)cc2)cc1 ZINC000013864099 563003852 /nfs/dbraw/zinc/00/38/52/563003852.db2.gz KKSPKLQCAGWNKZ-ZVBBVAIHSA-N 0 3 458.552 6.748 1 0 JKAFHN C[C@H](N)C(=O)N1CCCC[C@@H]1P(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000013907516 563004485 /nfs/dbraw/zinc/00/44/85/563004485.db2.gz KYNAMWRMUBCFRC-LIRRHRJNSA-N 0 3 457.294 5.330 1 0 JKAFHN COc1ccc(N2CC[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1 ZINC000014176079 563005578 /nfs/dbraw/zinc/00/55/78/563005578.db2.gz SGMGFHKFLMAIER-AREMUKBSSA-N 0 3 491.459 5.807 1 0 JKAFHN O[C@H]1CCCc2nc3ccccc3c(NCCCC(c3ccc(F)cc3)c3ccc(F)cc3)c21 ZINC000014946484 563006784 /nfs/dbraw/zinc/00/67/84/563006784.db2.gz WFEGXUFMYIXSFD-MHZLTWQESA-N 0 3 458.552 6.907 1 0 JKAFHN CC(C)N1CC[C@@H](NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1 ZINC000014959682 563008240 /nfs/dbraw/zinc/00/82/40/563008240.db2.gz XDOHRNCCDDHHBW-QGZVFWFLSA-N 0 3 469.010 5.272 1 0 JKAFHN CC(C)(C)c1ccccc1N1CCN(CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000014975981 563010234 /nfs/dbraw/zinc/01/02/34/563010234.db2.gz BLCHSWWAUDRFLL-HHHXNRCGSA-N 0 3 461.694 5.860 1 0 JKAFHN CCNC(=O)c1noc(-c2cc(C(C)(C)C)c(O)cc2[O-])c1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014974928 563010246 /nfs/dbraw/zinc/01/02/46/563010246.db2.gz COBVQNNJVURGON-UHFFFAOYSA-N 0 3 477.605 5.453 1 0 JKAFHN COc1ccc([C@H]2C=CCN(CC(C)C)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017837612 563014316 /nfs/dbraw/zinc/01/43/16/563014316.db2.gz NNYAVUFUPXYFKX-IHLOFXLRSA-N 0 3 486.631 6.043 1 0 JKAFHN Fc1ccc(C(OCCN2CC[C@H]3CC[C@@H](C2)N3C/C=C/c2ccco2)c2ccc(F)cc2)cc1 ZINC000019365807 563015050 /nfs/dbraw/zinc/01/50/50/563015050.db2.gz IEEHWAIBTWJDSP-XIQCHAELSA-N 0 3 478.583 5.916 1 0 JKAFHN COc1ccc(CN2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)c(OC)c1OC ZINC000019743571 563015166 /nfs/dbraw/zinc/01/51/66/563015166.db2.gz HACKVEKJIWDVGK-HSZRJFAPSA-N 0 3 496.611 5.611 1 0 JKAFHN Fc1ccc(-c2cc(CCCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1 ZINC000022924666 563017552 /nfs/dbraw/zinc/01/75/52/563017552.db2.gz FBCAOCCMIHULCW-UHFFFAOYSA-N 0 3 469.604 6.211 1 0 JKAFHN Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCN1CCN(C)CC1 ZINC000022925838 563017636 /nfs/dbraw/zinc/01/76/36/563017636.db2.gz QGMMODBBVFVJMR-UHFFFAOYSA-N 0 3 495.671 5.706 1 0 JKAFHN CCCCN1CCN([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000022926945 563017738 /nfs/dbraw/zinc/01/77/38/563017738.db2.gz AHZURDXLPGFUJZ-HSZRJFAPSA-N 0 3 488.516 6.400 1 0 JKAFHN c1ccc(C(OCCN2CCN(CCc3cccc4ccccc43)CC2)c2ccccc2)cc1 ZINC000022938680 563019192 /nfs/dbraw/zinc/01/91/92/563019192.db2.gz BNSSSICMNJSJOT-UHFFFAOYSA-N 0 3 450.626 5.806 1 0 JKAFHN Fc1ccc(C(OCCN2CCCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022938502 563019267 /nfs/dbraw/zinc/01/92/67/563019267.db2.gz XXURTKGAFDGDML-XBXARRHUSA-N 0 3 462.584 5.792 1 0 JKAFHN O=C(CCCN1CCN(Cc2ccccc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000022940079 563019442 /nfs/dbraw/zinc/01/94/42/563019442.db2.gz INXVYWOJBPSXDV-LJAQVGFWSA-N 0 3 471.670 5.096 1 0 JKAFHN CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000022939664 563019456 /nfs/dbraw/zinc/01/94/56/563019456.db2.gz ZUIAYJWBCLHMLH-UALAUUDGSA-N 0 3 499.699 5.861 1 0 JKAFHN C/C=C/CN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C ZINC000022939659 563019499 /nfs/dbraw/zinc/01/94/99/563019499.db2.gz OJPFIPOLKOXOHF-WRWAYZGMSA-N 0 3 463.666 5.237 1 0 JKAFHN O=C(CCCN1CCN(Cc2ccccc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000022940076 563019550 /nfs/dbraw/zinc/01/95/50/563019550.db2.gz INXVYWOJBPSXDV-GDLZYMKVSA-N 0 3 471.670 5.096 1 0 JKAFHN CO[C@@H](CNc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022941124 563019814 /nfs/dbraw/zinc/01/98/14/563019814.db2.gz AKDRTSVLFIAYML-LJAQVGFWSA-N 0 3 493.642 5.622 1 0 JKAFHN CCN(CC)CCOc1ccc(C(=O)c2c3ccc(O)cc3sc2-c2ccc(O)cc2)cc1 ZINC000026007164 563021630 /nfs/dbraw/zinc/02/16/30/563021630.db2.gz PWABRORXEFUSPF-UHFFFAOYSA-N 0 3 461.583 5.931 1 0 JKAFHN COc1ccc(S(=O)(=O)N[C@H](CN[C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026152570 563022512 /nfs/dbraw/zinc/02/25/12/563022512.db2.gz KQDXAFJALGMWOX-QPPBQGQZSA-N 0 3 474.626 5.089 1 0 JKAFHN C[C@@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc21 ZINC000026161694 563022886 /nfs/dbraw/zinc/02/28/86/563022886.db2.gz BSAHGGLFJWEDNH-NFBKMPQASA-N 0 3 479.045 5.734 1 0 JKAFHN C[C@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc21 ZINC000026161697 563022895 /nfs/dbraw/zinc/02/28/95/563022895.db2.gz BSAHGGLFJWEDNH-NZQKXSOJSA-N 0 3 479.045 5.734 1 0 JKAFHN C[C@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1Cl)c1cccc2ccccc21 ZINC000026161713 563022918 /nfs/dbraw/zinc/02/29/18/563022918.db2.gz BSAHGGLFJWEDNH-REWPJTCUSA-N 0 3 479.045 5.734 1 0 JKAFHN Oc1ccc2c(c1)sc(C1CCCC1)c2[C@H](O)c1ccc(OCCN2CCCCC2)cc1 ZINC000026171763 563023287 /nfs/dbraw/zinc/02/32/87/563023287.db2.gz PVVLWCPJHYTIRO-AREMUKBSSA-N 0 3 451.632 6.211 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCCC2)cc1 ZINC000026272540 563025091 /nfs/dbraw/zinc/02/50/91/563025091.db2.gz JBSWJHDISRKUBT-IHLOFXLRSA-N 0 3 471.641 6.647 1 0 JKAFHN COc1ccc([S@@](=O)c2ccc([C@@H](C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2)cc1 ZINC000026380095 563026622 /nfs/dbraw/zinc/02/66/22/563026622.db2.gz CSHHMALNFJAJIB-QTQRRKOQSA-N 0 3 494.745 6.434 1 0 JKAFHN COc1ccc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCCCC2)cc1OC ZINC000026504165 563029363 /nfs/dbraw/zinc/02/93/63/563029363.db2.gz QTUQKCFDHXHBOB-UHFFFAOYSA-N 0 3 461.002 5.357 1 0 JKAFHN CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCc2ccccc2)CC1 ZINC000026509324 563029605 /nfs/dbraw/zinc/02/96/05/563029605.db2.gz BPTKNLOZJJWGER-UHFFFAOYSA-N 0 3 451.611 5.568 1 0 JKAFHN Oc1ccc2c(c1)S[C@H](C1CCCCCC1)[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026573894 563030221 /nfs/dbraw/zinc/03/02/21/563030221.db2.gz KBVQEEKNQSIIOL-WUFINQPMSA-N 0 3 467.675 6.822 1 0 JKAFHN Oc1ccc(C[C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000026573507 563030232 /nfs/dbraw/zinc/03/02/32/563030232.db2.gz DUNNSQNKGZRPRD-IZLXSDGUSA-N 0 3 477.626 5.800 1 0 JKAFHN Oc1ccc2c(c1)S[C@H](Cc1ccccc1)[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 ZINC000026574886 563030316 /nfs/dbraw/zinc/03/03/16/563030316.db2.gz PLAHCTCPRXHVKW-IZLXSDGUSA-N 0 3 461.627 6.094 1 0 JKAFHN CN(C)C/C=C/c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1 ZINC000026576979 563030671 /nfs/dbraw/zinc/03/06/71/563030671.db2.gz LQKYIVAPTGEZOQ-BQYQJAHWSA-N 0 3 465.645 6.118 1 0 JKAFHN CN(C)CC=Cc1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1 ZINC000026576979 563030672 /nfs/dbraw/zinc/03/06/72/563030672.db2.gz LQKYIVAPTGEZOQ-BQYQJAHWSA-N 0 3 465.645 6.118 1 0 JKAFHN [O-]c1cc2c(cc1Cl)O[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)[C@H](c1ccc(O)cc1)S2 ZINC000026651278 563032199 /nfs/dbraw/zinc/03/21/99/563032199.db2.gz DPJBFJCLAIXZQN-SXOMAYOGSA-N 0 3 498.044 6.583 1 0 JKAFHN Oc1ccc([C@@H]2Sc3cc(O)cc(Cl)c3O[C@@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000026661269 563032671 /nfs/dbraw/zinc/03/26/71/563032671.db2.gz KDGZXHYYUFZJAA-VPUSJEBWSA-N 0 3 498.044 6.583 1 0 JKAFHN Cc1cc2c(cc1O)O[C@H](c1ccc(OCCN3CCCCC3)cc1)[C@H](c1ccc(O)cc1)S2 ZINC000026661883 563032850 /nfs/dbraw/zinc/03/28/50/563032850.db2.gz BZIPUTIRZYCJEH-IZLXSDGUSA-N 0 3 477.626 6.238 1 0 JKAFHN O=C(CN1CCCCC1)Nc1cc(CN2CCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672430 563033412 /nfs/dbraw/zinc/03/34/12/563033412.db2.gz CWGSXNCSQQWMAR-UHFFFAOYSA-N 0 3 478.040 5.652 1 0 JKAFHN C[C@H](NCc1nc2ccccc2[nH]1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026751866 563035347 /nfs/dbraw/zinc/03/53/47/563035347.db2.gz OSMUKSUFVCBALC-GMBKRLOVSA-N 0 3 477.737 6.697 1 0 JKAFHN Cn1c2ccc(Cl)cc2c(CCC(=O)N2CCN(C3CCCCC3)CC2)c1-c1ccc(Cl)cc1 ZINC000026822810 563035700 /nfs/dbraw/zinc/03/57/00/563035700.db2.gz BDUFSRWYMLBPMN-UHFFFAOYSA-N 0 3 498.498 6.562 1 0 JKAFHN C[C@@H](C[C@H](CCN1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027106314 563040389 /nfs/dbraw/zinc/04/03/89/563040389.db2.gz YOYKYWQOJLXSNN-CUBQBAPOSA-N 0 3 461.671 6.292 1 0 JKAFHN C[C@H](Nc1cc(-c2sc(C3(O)CCN(C)CC3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000027107565 563040437 /nfs/dbraw/zinc/04/04/37/563040437.db2.gz RITXYPWPIMALLO-IBGZPJMESA-N 0 3 488.632 6.098 1 0 JKAFHN COc1ccc(/C=C/C2(O)CCN(C)CC2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1 ZINC000027190629 563040996 /nfs/dbraw/zinc/04/09/96/563040996.db2.gz XSANDODFQKLIFO-VAWYXSNFSA-N 0 3 478.539 5.418 1 0 JKAFHN O=C(/C=C/c1cccnc1Cl)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027652133 563048688 /nfs/dbraw/zinc/04/86/88/563048688.db2.gz SPDMEVZUOZUJEG-FOCLMDBBSA-N 0 3 489.063 5.052 1 0 JKAFHN O=C(/C=C/c1cncc(Cl)c1)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027655829 563049027 /nfs/dbraw/zinc/04/90/27/563049027.db2.gz GUALWDLSIURSJU-BUHFOSPRSA-N 0 3 489.063 5.052 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1cccc(OCCN2CCCC2)c1 ZINC000027656179 563049103 /nfs/dbraw/zinc/04/91/03/563049103.db2.gz PLIUCEMVAGBJSL-URLMMPGGSA-N 0 3 457.614 6.257 1 0 JKAFHN C=C1N=C(C)C(C(=O)OCC(C)C)[C@H](C2=CCN(C(=O)OC(C)(C)C)C=C2)C1C(=O)OCC(C)C ZINC000027724541 563050387 /nfs/dbraw/zinc/05/03/87/563050387.db2.gz YOOQZZHJMMAMAR-COUQNMRISA-N 0 3 488.625 5.683 1 0 JKAFHN CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC(C)C ZINC000028129820 563057210 /nfs/dbraw/zinc/05/72/10/563057210.db2.gz PFZRTZHJFALING-UHFFFAOYSA-N 0 3 474.807 7.734 1 0 JKAFHN CCCCC(=O)O[C@@H]1C(=O)N(CCN(C)C)c2ccc(Cl)cc2S[C@@H]1c1ccc(OC)cc1 ZINC000027754183 563051312 /nfs/dbraw/zinc/05/13/12/563051312.db2.gz CJYJYLLYIVLLTE-BJKOFHAPSA-N 0 3 491.053 5.192 1 0 JKAFHN CCCCC(=O)O[C@@H]1C(=O)N(CCN(C)C)c2ccc(Cl)cc2S[C@H]1c1ccc(OC)cc1 ZINC000027754199 563051317 /nfs/dbraw/zinc/05/13/17/563051317.db2.gz CJYJYLLYIVLLTE-ZEQRLZLVSA-N 0 3 491.053 5.192 1 0 JKAFHN COc1cc2c(cc1F)CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027766083 563051565 /nfs/dbraw/zinc/05/15/65/563051565.db2.gz VZLZZEUXLXPWFX-URXFXBBRSA-N 0 3 465.396 5.294 1 0 JKAFHN CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2cccc(OC)c2CC[C@@H]1N1CCCC1 ZINC000027854364 563051962 /nfs/dbraw/zinc/05/19/62/563051962.db2.gz DQNLWENAKLPZAE-DHLKQENFSA-N 0 3 461.433 5.545 1 0 JKAFHN c1ccc2c(c1)sc(-c1ccc(OCCN3CCCC3)cc1)c2Cc1ccc(N2CCCC2)cc1 ZINC000027865019 563052339 /nfs/dbraw/zinc/05/23/39/563052339.db2.gz FTLPANJNKGQLFR-UHFFFAOYSA-N 0 3 482.693 7.234 1 0 JKAFHN COc1cc2c(cc1OC)[C@@H](CCN1CCN(c3cccc(C(F)(F)F)c3)CC1)OC(C)(C)C2 ZINC000027889288 563052921 /nfs/dbraw/zinc/05/29/21/563052921.db2.gz APHFRZCJEAXGLS-JOCHJYFZSA-N 0 3 478.555 5.327 1 0 JKAFHN COc1cc2c(cc1OC)[C@](CCCN1CCN(c3ccccc3)CC1)(c1ccc(F)cc1)OCC2 ZINC000027891718 563052949 /nfs/dbraw/zinc/05/29/49/563052949.db2.gz WACAOMLSBYWCOH-PMERELPUSA-N 0 3 490.619 5.262 1 0 JKAFHN CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000028012603 563054840 /nfs/dbraw/zinc/05/48/40/563054840.db2.gz YVGNPRHFBJDOHH-UHFFFAOYSA-N 0 3 473.048 7.067 1 0 JKAFHN CCCCC[C@H](O)/C=C/[C@H]1[C@H](SCCN(CC)CC)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC ZINC000028014962 563055042 /nfs/dbraw/zinc/05/50/42/563055042.db2.gz VBIZLYIQRDKKMS-JTGIDAORSA-N 0 3 481.743 5.422 1 0 JKAFHN Clc1ccc([C@@H]2C[C@H](N3CCN(C/C=C/c4ccccc4)CC3)c3ccccc32)cc1Cl ZINC000028087238 563055506 /nfs/dbraw/zinc/05/55/06/563055506.db2.gz CQHFAVPNRLFXIP-QMONJMGBSA-N 0 3 463.452 6.901 1 0 JKAFHN CCCC(=O)OCC1(N(C(=O)CCC)c2ccccc2)CCN(CCc2cccs2)CC1 ZINC000028089587 563055597 /nfs/dbraw/zinc/05/55/97/563055597.db2.gz MUJQRZSLPIIITG-UHFFFAOYSA-N 0 3 456.652 5.302 1 0 JKAFHN CN(Cc1ccccn1)[C@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000028120363 563056746 /nfs/dbraw/zinc/05/67/46/563056746.db2.gz JWXCLECDJCIPAS-LJAQVGFWSA-N 0 3 462.597 5.712 1 0 JKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(F)c3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028242763 563058695 /nfs/dbraw/zinc/05/86/95/563058695.db2.gz YARKZZXTGJXJEP-JLHYYAGUSA-N 0 3 497.614 5.446 1 0 JKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)[C@H]3CCCN(Cc4ccccc4)C3)cc21 ZINC000028245426 563058863 /nfs/dbraw/zinc/05/88/63/563058863.db2.gz XQGXCFPHZVHVIS-XUNRKZSFSA-N 0 3 479.624 5.307 1 0 JKAFHN Brc1ccc(CCN(Cc2cnc[nH]2)Cc2ccc(Oc3ccccc3)cc2)cc1 ZINC000028335271 563059812 /nfs/dbraw/zinc/05/98/12/563059812.db2.gz CMGIYMUBWMWULU-UHFFFAOYSA-N 0 3 462.391 6.209 1 0 JKAFHN CN1CCN(CCCOc2ccc(-c3cc(-c4ccc(Oc5ccccc5)cc4)no3)cc2)CC1 ZINC000028347861 563060912 /nfs/dbraw/zinc/06/09/12/563060912.db2.gz TVXRNTLEASGFHN-UHFFFAOYSA-N 0 3 469.585 5.817 1 0 JKAFHN O=C1CC[C@](CCN2CC(N3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CCC1CC1 ZINC000028369206 563062240 /nfs/dbraw/zinc/06/22/40/563062240.db2.gz GYMSXLBOYPSJRT-AREMUKBSSA-N 0 3 496.498 5.162 1 0 JKAFHN CCN1CCC[C@H]1CNC(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000028383436 563063071 /nfs/dbraw/zinc/06/30/71/563063071.db2.gz QWMKDONQFULFHL-QHCPKHFHSA-N 0 3 458.562 5.337 1 0 JKAFHN CCOc1ccc(Br)cc1CNCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000028384845 563063170 /nfs/dbraw/zinc/06/31/70/563063170.db2.gz IAWRSCYPISKFPQ-UHFFFAOYSA-N 0 3 474.321 5.168 1 0 JKAFHN CCNC(=O)c1ccc(C(C2=CN(OC)C=CC2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028395413 563063813 /nfs/dbraw/zinc/06/38/13/563063813.db2.gz VLJJAFQROOXFMM-WMPKNSHKSA-N 0 3 459.590 5.275 1 0 JKAFHN CCNC(=O)c1ccc(C(c2cccc(NC(C)=O)c2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028397878 563064004 /nfs/dbraw/zinc/06/40/04/563064004.db2.gz OZVHZWPBRJWEIN-HNRBIFIRSA-N 0 3 483.612 5.617 1 0 JKAFHN CCCN(CCC1CC1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028460148 563064546 /nfs/dbraw/zinc/06/45/46/563064546.db2.gz QQQFMIGPYLQEKU-UHFFFAOYSA-N 0 3 482.594 7.234 1 0 JKAFHN CCCN(Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)CC1CCC1 ZINC000028464219 563064805 /nfs/dbraw/zinc/06/48/05/563064805.db2.gz HHTTYIZINSRKEU-UHFFFAOYSA-N 0 3 482.594 7.234 1 0 JKAFHN Cc1ccc(NC(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028476780 563066088 /nfs/dbraw/zinc/06/60/88/563066088.db2.gz BLKAFNSEWMLWRN-VWLOTQADSA-N 0 3 488.598 5.827 1 0 JKAFHN O=C(Cc1cc(Cl)cc(Cl)c1)NC[C@@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000028478141 563066189 /nfs/dbraw/zinc/06/61/89/563066189.db2.gz XZZHXQBAHUQDLK-VWLOTQADSA-N 0 3 474.476 5.344 1 0 JKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(c3c[nH]c4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028522979 563066660 /nfs/dbraw/zinc/06/66/60/563066660.db2.gz PXULGTAZSZWVHW-QRLJAKNQSA-N 0 3 499.699 6.096 1 0 JKAFHN O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(c3c[nH]c4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028522979 563066662 /nfs/dbraw/zinc/06/66/62/563066662.db2.gz PXULGTAZSZWVHW-QRLJAKNQSA-N 0 3 499.699 6.096 1 0 JKAFHN COc1cccc(CN2CCCCCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028524369 563067134 /nfs/dbraw/zinc/06/71/34/563067134.db2.gz UNPJHTCCHUDIIF-UHFFFAOYSA-N 0 3 457.039 6.817 1 0 JKAFHN O=C(Nc1ccccc1NC(=O)c1cccc(Cl)c1)OCC1CCN(c2ccncc2)CC1 ZINC000028524485 563067252 /nfs/dbraw/zinc/06/72/52/563067252.db2.gz NTDSCFYFAMOBNU-UHFFFAOYSA-N 0 3 464.953 5.452 1 0 JKAFHN O=C(NC1CCN(Cc2ccc3ccccc3c2)CC1)c1cc(Cl)ccc1NCc1nccs1 ZINC000028525960 563067724 /nfs/dbraw/zinc/06/77/24/563067724.db2.gz QXOVDVVHABLTCE-UHFFFAOYSA-N 0 3 491.060 5.956 1 0 JKAFHN Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc12 ZINC000028569616 563070453 /nfs/dbraw/zinc/07/04/53/563070453.db2.gz UQHRKZZEJAOTMU-UHFFFAOYSA-N 0 3 452.602 5.389 1 0 JKAFHN CCCCCCn1c(Cc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N ZINC000028636263 563071774 /nfs/dbraw/zinc/07/17/74/563071774.db2.gz BLFNAIFLVINSMV-RUZDIDTESA-N 0 3 486.664 5.068 1 0 JKAFHN FC(F)(F)c1cccc(N2CCN(CCNCc3cc(-c4ccccc4C(F)(F)F)no3)CC2)c1 ZINC000028640277 563072134 /nfs/dbraw/zinc/07/21/34/563072134.db2.gz NJXHRBPCCZIYSW-UHFFFAOYSA-N 0 3 498.471 5.291 1 0 JKAFHN COc1cccc(-c2ccc(NC(=O)NC3CCN(CC4=CC[C@H]5C[C@@H]4C5(C)C)CC3)s2)c1 ZINC000028708687 563075825 /nfs/dbraw/zinc/07/58/25/563075825.db2.gz MXVSXIFEPKIFKU-REWPJTCUSA-N 0 3 465.663 6.002 1 0 JKAFHN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCN(CC2=CCCCCCC2)CC1 ZINC000028708496 563075859 /nfs/dbraw/zinc/07/58/59/563075859.db2.gz MFLVFGPYDWXLES-UHFFFAOYSA-N 0 3 477.493 6.591 1 0 JKAFHN Oc1ccc2c(ccc(-c3ccc(F)c(F)c3)c2Oc2ccc(OCCN3CCCCC3)cc2)c1 ZINC000028710035 563076060 /nfs/dbraw/zinc/07/60/60/563076060.db2.gz RCVOOQFPOXBKPQ-UHFFFAOYSA-N 0 3 475.535 7.148 1 0 JKAFHN COc1ccc(Oc2cccc(CN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c2)cc1 ZINC000028710578 563076211 /nfs/dbraw/zinc/07/62/11/563076211.db2.gz JGHHCQJAWMYFGE-UHFFFAOYSA-N 0 3 458.602 6.462 1 0 JKAFHN CC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000028710561 563076251 /nfs/dbraw/zinc/07/62/51/563076251.db2.gz HKIBDKKNDIBQNU-UHFFFAOYSA-N 0 3 456.586 6.280 1 0 JKAFHN COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4ccc(C)cc4n3)cc2)CC1 ZINC000028711427 563076465 /nfs/dbraw/zinc/07/64/65/563076465.db2.gz PPTCFBYLQJKXAO-UHFFFAOYSA-N 0 3 470.617 5.300 1 0 JKAFHN CCN1CCC[C@@H](Cn2c(=O)c3ccc(-c4ccc(Cl)cc4)cc3nc2-c2ccccc2OC)C1 ZINC000028711902 563076682 /nfs/dbraw/zinc/07/66/82/563076682.db2.gz MGGNRQPTQAHBTN-HXUWFJFHSA-N 0 3 488.031 6.124 1 0 JKAFHN CCCCN(C)c1ccc2nc(-c3ccccc3OC)n(C[C@H]3CCCN(CC)C3)c(=O)c2c1 ZINC000028712132 563076894 /nfs/dbraw/zinc/07/68/94/563076894.db2.gz MFHFVHMRADFDJS-NRFANRHFSA-N 0 3 462.638 5.040 1 0 JKAFHN CSc1sc(C(=N)N)cc1-c1nc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)cs1 ZINC000028771222 563079180 /nfs/dbraw/zinc/07/91/80/563079180.db2.gz XUDMPJNYKCWMDX-UHFFFAOYSA-N 0 3 468.604 5.936 1 0 JKAFHN CN1CCN(CCCOc2ccc(C3O[C@@H](c4ccc(F)cc4)[C@H](c4ccc(F)cc4)O3)cc2)CC1 ZINC000028816261 563079531 /nfs/dbraw/zinc/07/95/31/563079531.db2.gz AFRTYNAGIRJBPZ-NSOVKSMOSA-N 0 3 494.582 5.509 1 0 JKAFHN CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000028827048 563082697 /nfs/dbraw/zinc/08/26/97/563082697.db2.gz FIZLAMUFFLKTOQ-YZXAJQSBSA-N 0 3 464.502 5.752 1 0 JKAFHN CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000028827046 563082778 /nfs/dbraw/zinc/08/27/78/563082778.db2.gz FIZLAMUFFLKTOQ-VFHOHQAYSA-N 0 3 464.502 5.752 1 0 JKAFHN CSc1ccc([C@@H]2CN(C)Cc3cc(Oc4ccc(CN5CCOCC5)cn4)ccc32)cc1 ZINC000028827084 563082902 /nfs/dbraw/zinc/08/29/02/563082902.db2.gz OBQGUQBIJPHQCO-SANMLTNESA-N 0 3 461.631 5.005 1 0 JKAFHN CCOCn1c2ccccc2n(C2CCN(CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874663 563084332 /nfs/dbraw/zinc/08/43/32/563084332.db2.gz HYIYVZGBQLFOJY-HHHXNRCGSA-N 0 3 495.664 5.245 1 0 JKAFHN Cc1ccc2c(cc(Cl)cc2OCCN2CCC(Cc3cc4c(cc3F)OCC(=O)N4)CC2)n1 ZINC000028887284 563085041 /nfs/dbraw/zinc/08/50/41/563085041.db2.gz GRNSMKAYAMENDT-UHFFFAOYSA-N 0 3 483.971 5.000 1 0 JKAFHN COc1ccc2nccc([C@@H]3CN(CC4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2c1 ZINC000028892375 563085178 /nfs/dbraw/zinc/08/51/78/563085178.db2.gz RRMYHKYZMNDGOW-MHZLTWQESA-N 0 3 470.573 5.130 1 0 JKAFHN O=C1[N-]C(=Cc2ccc(C[NH+]3CCCCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899252 563085960 /nfs/dbraw/zinc/08/59/60/563085960.db2.gz NKIPJOUJGLUDSA-OOAXWGSJSA-N 0 3 467.569 5.952 1 0 JKAFHN CCCN(Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)Cc1ccccc1 ZINC000028903689 563086464 /nfs/dbraw/zinc/08/64/64/563086464.db2.gz MXJHLNUMHLEEQE-UHFFFAOYSA-N 0 3 472.036 6.664 1 0 JKAFHN Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1CN1CC[C@H](CCc2ccccc2)C1 ZINC000028903814 563086473 /nfs/dbraw/zinc/08/64/73/563086473.db2.gz PBEQQVOUDMAYFD-DEOSSOPVSA-N 0 3 498.074 6.707 1 0 JKAFHN Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1CN(C)CCc1cccnc1 ZINC000028903846 563086540 /nfs/dbraw/zinc/08/65/40/563086540.db2.gz UWAPMULOEFTYNM-UHFFFAOYSA-N 0 3 458.997 5.321 1 0 JKAFHN Cc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn43)n2)c1 ZINC000028963692 563089190 /nfs/dbraw/zinc/08/91/90/563089190.db2.gz RHZVNCMZUGTVMW-UHFFFAOYSA-N 0 3 466.564 5.580 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2ccc(Cl)cc2)n1 ZINC000028963701 563089231 /nfs/dbraw/zinc/08/92/31/563089231.db2.gz ODTFBYHPXOCKTI-UHFFFAOYSA-N 0 3 486.982 5.925 1 0 JKAFHN CC(C)(C)OC(=O)N=c1[nH]c2ccc(C(=O)NCCNCc3ccc4ccccc4c3)cc2s1 ZINC000028967613 563089485 /nfs/dbraw/zinc/08/94/85/563089485.db2.gz QLOJZEYLYJIJQM-UHFFFAOYSA-N 0 3 476.602 5.316 1 0 JKAFHN CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN(C)CCc4cn[nH]c4)cc3)nc2n1 ZINC000028980031 563090495 /nfs/dbraw/zinc/09/04/95/563090495.db2.gz GQEPHZRQVGFQLK-UHFFFAOYSA-N 0 3 466.614 5.478 1 0 JKAFHN CC(C)C[C@H](N)c1cc(Cl)ccc1N1CCN(C(=O)[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039364 563091120 /nfs/dbraw/zinc/09/11/20/563091120.db2.gz OVNHRYAPFAJXCA-UMXIMWEHSA-N 0 3 490.475 5.466 1 0 JKAFHN CC(=O)c1cccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)[N-]C3=O)c1 ZINC000029049187 563092769 /nfs/dbraw/zinc/09/27/69/563092769.db2.gz ANUDBVBLMPNUFI-VEILYXNESA-N 0 3 494.595 5.342 1 0 JKAFHN O=C1[N-]C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3ccc(Cl)cc3)ccc21 ZINC000029048873 563092807 /nfs/dbraw/zinc/09/28/07/563092807.db2.gz XVLYTNUAFSGBLK-ONUIUJJFSA-N 0 3 487.003 5.793 1 0 JKAFHN CC[NH+](CC)Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccc(Nc4ccc(C)cc4)cc32)cc1 ZINC000029050357 563093014 /nfs/dbraw/zinc/09/30/14/563093014.db2.gz KOLQCOSRJKVBAQ-ONUIUJJFSA-N 0 3 454.574 5.303 1 0 JKAFHN CC[C@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2c1cc(F)cc2Cl ZINC000029052547 563093084 /nfs/dbraw/zinc/09/30/84/563093084.db2.gz KNEUZAWRNQLRCJ-XMMPIXPASA-N 0 3 464.412 5.725 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc4ncccc4c3)cc1)CC2 ZINC000029062543 563093990 /nfs/dbraw/zinc/09/39/90/563093990.db2.gz CQDVKUSRUIHSQR-UHFFFAOYSA-N 0 3 467.569 5.105 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc4ccccc4cn3)cc1)CC2 ZINC000029062918 563094061 /nfs/dbraw/zinc/09/40/61/563094061.db2.gz RJSOUZKIJXBVSO-UHFFFAOYSA-N 0 3 467.569 5.105 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(Br)cc3)cc1)CC2 ZINC000029063721 563094079 /nfs/dbraw/zinc/09/40/79/563094079.db2.gz ITBQIBAPDGJXGN-UHFFFAOYSA-N 0 3 495.417 5.319 1 0 JKAFHN O=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)c1cccc(Oc2ccccc2)c1 ZINC000029123119 563094166 /nfs/dbraw/zinc/09/41/66/563094166.db2.gz PXGIQYNLHCMNIF-UHFFFAOYSA-N 0 3 454.545 6.166 1 0 JKAFHN O=C1[N-]C(=O)c2c1c1c(cc2-c2ccccc2Cl)[nH]c2cc(OCCC[NH+]3CCCC3)c(O)cc21 ZINC000029127418 563095671 /nfs/dbraw/zinc/09/56/71/563095671.db2.gz ZBZAZHRMQSACPS-UHFFFAOYSA-N 0 3 489.959 5.095 1 0 JKAFHN O=C(c1ccc(Cl)cc1)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000029133518 563097564 /nfs/dbraw/zinc/09/75/64/563097564.db2.gz RGZNEXHZUKHBNS-UHFFFAOYSA-N 0 3 475.032 6.651 1 0 JKAFHN COc1c(C)c(CN(CCNc2ccnc3cc(Cl)ccc32)CC(C)C)c(OC)c2ccccc21 ZINC000029135289 563098115 /nfs/dbraw/zinc/09/81/15/563098115.db2.gz SAHXQUQICXGKKL-UHFFFAOYSA-N 0 3 492.063 6.937 1 0 JKAFHN CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(-c2ccc(C)cc2)c(CC)[nH+]1 ZINC000029222270 563098862 /nfs/dbraw/zinc/09/88/62/563098862.db2.gz YPSKTTRAIJOSCQ-UHFFFAOYSA-N 0 3 474.612 6.641 1 0 JKAFHN CCc1cc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(-c2ccc(C)cc2)c(CC)[nH+]1 ZINC000029222270 563098864 /nfs/dbraw/zinc/09/88/64/563098864.db2.gz YPSKTTRAIJOSCQ-UHFFFAOYSA-N 0 3 474.612 6.641 1 0 JKAFHN Cc1ccc(/C=C2\CSC[C@H]3C2=NN(CCCN2CCN(C)CC2)[C@H]3c2ccc(C)cc2)cc1 ZINC000029308605 563099769 /nfs/dbraw/zinc/09/97/69/563099769.db2.gz YWGAQRBVSIMYTD-MMNVKDQRSA-N 0 3 474.718 5.100 1 0 JKAFHN COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 ZINC000029344345 563101253 /nfs/dbraw/zinc/10/12/53/563101253.db2.gz BGURRFIDCHOENU-UHFFFAOYSA-N 0 3 498.667 5.148 1 0 JKAFHN COc1ccc([C@@]2(c3ccc(OCCN(C)C)cc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000029404731 563102849 /nfs/dbraw/zinc/10/28/49/563102849.db2.gz LWYSPLVNMSFSTO-JWQCQUIFSA-N 0 3 456.413 5.893 1 0 JKAFHN O=C1NCN(c2ccc(F)cc2)C12CCN(CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029476273 563104946 /nfs/dbraw/zinc/10/49/46/563104946.db2.gz DXMDPBQTIGCCDX-UHFFFAOYSA-N 0 3 494.561 5.061 1 0 JKAFHN O=C1NCN(c2cccc(F)c2)C12CCN(CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000029479754 563105185 /nfs/dbraw/zinc/10/51/85/563105185.db2.gz MPIACKXXQACORS-UHFFFAOYSA-N 0 3 494.561 5.061 1 0 JKAFHN O=C(NCCCCCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000029554020 563106438 /nfs/dbraw/zinc/10/64/38/563106438.db2.gz NCNZEUCJDCGDDP-XRKRLSELSA-N 0 3 489.610 6.265 1 0 JKAFHN FC(F)(F)c1cccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000029562586 563107170 /nfs/dbraw/zinc/10/71/70/563107170.db2.gz YYWMZFBABQCNFH-UHFFFAOYSA-N 0 3 478.562 6.222 1 0 JKAFHN COc1ccccc1Cn1c2ccccc2nc1N(C)C1CCN(CCc2ccccc2)CC1 ZINC000029562375 563107204 /nfs/dbraw/zinc/10/72/04/563107204.db2.gz FHSBILNFCOPUHQ-UHFFFAOYSA-N 0 3 454.618 5.237 1 0 JKAFHN c1ccc(Cn2c3ccccc3nc2NC2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000029566023 563107486 /nfs/dbraw/zinc/10/74/86/563107486.db2.gz ACTCKCQNTSVYTR-UHFFFAOYSA-N 0 3 472.636 6.751 1 0 JKAFHN COc1ccccc1CCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029568248 563107544 /nfs/dbraw/zinc/10/75/44/563107544.db2.gz BDFPKQZWHRXIKO-UHFFFAOYSA-N 0 3 458.581 5.351 1 0 JKAFHN Fc1ccc(Cn2c3ccccc3nc2NC2CCN(CCCOc3ccccc3)CC2)cc1 ZINC000029569081 563107632 /nfs/dbraw/zinc/10/76/32/563107632.db2.gz XYWVMNRSKTZJCS-UHFFFAOYSA-N 0 3 458.581 5.569 1 0 JKAFHN COc1cccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1 ZINC000029568878 563107653 /nfs/dbraw/zinc/10/76/53/563107653.db2.gz UNPPCNQQKHBGQZ-UHFFFAOYSA-N 0 3 458.581 5.351 1 0 JKAFHN CN1CCCC[C@@H]1CNc1nc(-c2ccc(Cl)c(Cl)c2)nc(C(Cl)(Cl)Cl)n1 ZINC000032251656 563109698 /nfs/dbraw/zinc/10/96/98/563109698.db2.gz HKEPPBSAECZRMA-LLVKDONJSA-N 0 3 469.631 5.568 1 0 JKAFHN COc1ccc(CCn2c3ccccc3nc2NC2CCN(CCc3ccc(OC)cc3)CC2)cc1 ZINC000033335530 563110414 /nfs/dbraw/zinc/11/04/14/563110414.db2.gz RCPXWTCRAUXWDE-UHFFFAOYSA-N 0 3 484.644 5.415 1 0 JKAFHN CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C(=O)NCCN(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000034172062 563112333 /nfs/dbraw/zinc/11/23/33/563112333.db2.gz PCGYYIHRQWNZFL-FASGPJNGSA-N 0 3 484.813 7.322 1 0 JKAFHN Cc1cc(-c2cc([O-])ccc2Cl)cc2nnc(Nc3ccc(C[N@@H+](CCO)C(C)C)cc3)nc12 ZINC000034607893 563114069 /nfs/dbraw/zinc/11/40/69/563114069.db2.gz YCCCUIAFTNOZSU-UHFFFAOYSA-N 0 3 477.996 5.306 1 0 JKAFHN Cc1cc(-c2cc([O-])ccc2Cl)cc2nnc(Nc3ccc(C[N@H+](CCO)C(C)C)cc3)nc12 ZINC000034607893 563114070 /nfs/dbraw/zinc/11/40/70/563114070.db2.gz YCCCUIAFTNOZSU-UHFFFAOYSA-N 0 3 477.996 5.306 1 0 JKAFHN CN(Cc1nc2ccccc2n1C[C@H]1CCCN(Cc2cccnc2)C1)[C@H]1CCCc2cccnc21 ZINC000034662888 563114511 /nfs/dbraw/zinc/11/45/11/563114511.db2.gz AZXYEYLEAPSWTK-CUBQBAPOSA-N 0 3 480.660 5.248 1 0 JKAFHN CCCCCc1ccc(C(=O)N(CCCc2ccccc2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000034802875 563116224 /nfs/dbraw/zinc/11/62/24/563116224.db2.gz DEJADQVQLRRJFH-UHFFFAOYSA-N 0 3 482.712 7.159 1 0 JKAFHN CCN(CC)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804162 563116456 /nfs/dbraw/zinc/11/64/56/563116456.db2.gz XFBHKDFRWTZZIS-HXUWFJFHSA-N 0 3 475.477 5.013 1 0 JKAFHN O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cncnc3)cc2)CC1 ZINC000034804892 563116523 /nfs/dbraw/zinc/11/65/23/563116523.db2.gz BJTKGWRIIPEVPM-PMERELPUSA-N 0 3 495.671 5.920 1 0 JKAFHN NC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000034951367 563117686 /nfs/dbraw/zinc/11/76/86/563117686.db2.gz XXHBZSGXGMJSEC-NNJHRLFQSA-N 0 3 465.424 6.133 1 0 JKAFHN CNc1ncc2cc(-c3cc(C(=O)Nc4ccc(OC5CCN(C)CC5)cc4)ccc3C)ccc2n1 ZINC000035049807 563118445 /nfs/dbraw/zinc/11/84/45/563118445.db2.gz IEIWHASYQUBSLR-UHFFFAOYSA-N 0 3 481.600 5.372 1 0 JKAFHN COc1cccc([C@H]2C[C@@H](N[C@H](C)c3ccccc3)C(=O)N2c2ccc(C(F)(F)F)cc2)c1 ZINC000035308517 563119950 /nfs/dbraw/zinc/11/99/50/563119950.db2.gz BPTDWRQYMMIHHK-UOKFIYJESA-N 0 3 454.492 5.911 1 0 JKAFHN FC(F)(F)c1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1 ZINC000035874195 563121044 /nfs/dbraw/zinc/12/10/44/563121044.db2.gz OLHTYSHHUSHAPW-UHFFFAOYSA-N 0 3 454.540 5.782 1 0 JKAFHN COC(=O)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000036107787 563122259 /nfs/dbraw/zinc/12/22/59/563122259.db2.gz DNJLISQLMWIPEU-UHFFFAOYSA-N 0 3 495.566 5.168 1 0 JKAFHN Cc1cccc(Nc2cccc(CN(Cc3ccccc3C(F)(F)F)CC3CCCCC3)n2)c1C ZINC000036159668 563122956 /nfs/dbraw/zinc/12/29/56/563122956.db2.gz CKGSWJQEGHYAHM-UHFFFAOYSA-N 0 3 481.606 8.043 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(OCc2ccccc2)n1 ZINC000036161121 563123039 /nfs/dbraw/zinc/12/30/39/563123039.db2.gz ZDFQNQKEWDQPKE-UHFFFAOYSA-N 0 3 453.521 5.238 1 0 JKAFHN C[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn32)n1)c1ccccc1 ZINC000036161113 563123048 /nfs/dbraw/zinc/12/30/48/563123048.db2.gz VPZSMAJTUGVZFW-LJQANCHMSA-N 0 3 466.564 5.832 1 0 JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000036285598 563125263 /nfs/dbraw/zinc/12/52/63/563125263.db2.gz TUVAAUULBWCGLQ-MBSDFSHPSA-N 0 3 496.017 5.932 1 0 JKAFHN COc1cccc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c1 ZINC000036285711 563125291 /nfs/dbraw/zinc/12/52/91/563125291.db2.gz OTSUHPKAIYGTIX-DVECYGJZSA-N 0 3 491.598 5.287 1 0 JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000036285914 563125350 /nfs/dbraw/zinc/12/53/50/563125350.db2.gz JIOABRUCZKTZQV-MBSDFSHPSA-N 0 3 496.017 5.932 1 0 JKAFHN COc1ccc(C[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)cc1 ZINC000036285910 563125360 /nfs/dbraw/zinc/12/53/60/563125360.db2.gz ONRCMIPGIAKGAP-DVECYGJZSA-N 0 3 491.598 5.287 1 0 JKAFHN CC(C)C[C@H](N)c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000036285943 563125408 /nfs/dbraw/zinc/12/54/08/563125408.db2.gz IJTWLYFEGPNSFB-JPYJTQIMSA-N 0 3 462.465 5.567 1 0 JKAFHN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1Cc1cccc2cc(CN3CCCC3)cnc21 ZINC000036351784 563127078 /nfs/dbraw/zinc/12/70/78/563127078.db2.gz GIAQPLBOFJKHSL-UHFFFAOYSA-N 0 3 487.028 5.971 1 0 JKAFHN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2oc(CN3CCCC3)cc2c1 ZINC000038149683 563132100 /nfs/dbraw/zinc/13/21/00/563132100.db2.gz HJZNQSRZSUDTDL-UHFFFAOYSA-N 0 3 461.974 6.110 1 0 JKAFHN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2sc(CN3CC[C@@H](O)C3)cc2c1 ZINC000038149688 563132118 /nfs/dbraw/zinc/13/21/18/563132118.db2.gz ZDFHQJRHOKOKEF-LJQANCHMSA-N 0 3 494.041 5.549 1 0 JKAFHN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@@H](CN1CCCC1)O2 ZINC000038149717 563132161 /nfs/dbraw/zinc/13/21/61/563132161.db2.gz HYJDZUVIJDAGNE-IBGZPJMESA-N 0 3 479.005 5.036 1 0 JKAFHN CN(C)CCOc1ccc(-c2oc3ncnc(NCC4SCCS4)c3c2-c2ccccc2)cc1 ZINC000038211731 563133205 /nfs/dbraw/zinc/13/32/05/563133205.db2.gz IHWDTUMEQRTNBN-UHFFFAOYSA-N 0 3 492.670 5.715 1 0 JKAFHN CCCNC(=O)c1ccc(F)c2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000038361943 563134086 /nfs/dbraw/zinc/13/40/86/563134086.db2.gz IVCXXYAPUGLPQO-OAQYLSRUSA-N 0 3 481.587 5.377 1 0 in-vitro JKAFHN C[C@@H](OC[C@@]1(c2ccccc2)CC[C@@H](C(N)=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000038390356 563134203 /nfs/dbraw/zinc/13/42/03/563134203.db2.gz FWQQPWRIPPMKHB-VTJXTGGHSA-N 0 3 474.445 5.182 1 0 JKAFHN Cc1c2cc(O)ccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1-c1ccc2c(c1)OCO2 ZINC000038475955 563134852 /nfs/dbraw/zinc/13/48/52/563134852.db2.gz HSQRQXOVBSZAHO-UHFFFAOYSA-N 0 3 484.596 5.964 1 0 JKAFHN c1ccc(COc2ccc(C[C@H](c3ccccc3)N3CCN(C4CCCCC4)CC3)cc2)cc1 ZINC000039233863 563136468 /nfs/dbraw/zinc/13/64/68/563136468.db2.gz KDDGMZCMBIXENA-WJOKGBTCSA-N 0 3 454.658 6.500 1 0 JKAFHN CCN(C(=O)N(C)c1ccccc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040392053 563137905 /nfs/dbraw/zinc/13/79/05/563137905.db2.gz SBNNDGTUZRHEAY-FIPFOOKPSA-N 0 3 490.692 5.465 1 0 JKAFHN Oc1ccc(C2=C(c3ccc(OCCN4CCCCC4)cc3)c3ccc(F)cc3OCC2)cc1 ZINC000040401139 563139456 /nfs/dbraw/zinc/13/94/56/563139456.db2.gz FBXAGOZMKWMERY-UHFFFAOYSA-N 0 3 459.561 6.138 1 0 JKAFHN O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000040402435 563139637 /nfs/dbraw/zinc/13/96/37/563139637.db2.gz CRCUINALVBZFCY-UHFFFAOYSA-N 0 3 492.973 5.303 1 0 JKAFHN CN1C[C@@H](c2ccccc2)[C@@]2(CCc3c4ccccc4[nH]c3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000040406492 563140217 /nfs/dbraw/zinc/14/02/17/563140217.db2.gz BREKGIWOIKWINL-MGMSZRMWSA-N 0 3 482.583 6.257 1 0 JKAFHN O=C(NC1CCC1)c1ccc(F)c2c1C[C@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040412225 563140958 /nfs/dbraw/zinc/14/09/58/563140958.db2.gz OXCODUCJRWQMNC-QFIPXVFZSA-N 0 3 493.598 5.519 1 0 in-vitro JKAFHN Cc1c(CN2CCCC2)cc(-c2ccc(Cl)cc2)n1Nc1ccnc2cc(Cl)ccc21 ZINC000040429044 563143233 /nfs/dbraw/zinc/14/32/33/563143233.db2.gz HHRUDLQQSYMJJR-UHFFFAOYSA-N 0 3 451.401 6.211 1 0 JKAFHN CN(C)C[C@@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)c1ccc(Cl)cc1 ZINC000040466881 563144271 /nfs/dbraw/zinc/14/42/71/563144271.db2.gz ZZAVYOKAKZMNHB-JOCHJYFZSA-N 0 3 476.411 5.619 1 0 JKAFHN CN(C)C[C@@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2)c1ccccc1 ZINC000040466886 563144385 /nfs/dbraw/zinc/14/43/85/563144385.db2.gz YZTLYRDFBHBLLC-OAQYLSRUSA-N 0 3 476.411 5.619 1 0 JKAFHN COc1cc(C(C)=O)ccc1OCCCN1CC[C@H](C(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040632413 563147130 /nfs/dbraw/zinc/14/71/30/563147130.db2.gz LZGTZRZRYXUCGB-DEOSSOPVSA-N 0 3 495.566 5.203 1 0 JKAFHN O[C@@H](CCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040641036 563147314 /nfs/dbraw/zinc/14/73/14/563147314.db2.gz GYJCRHKZXOCKLS-MHZLTWQESA-N 0 3 451.557 5.427 1 0 JKAFHN C[C@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc21 ZINC000040762350 563147800 /nfs/dbraw/zinc/14/78/00/563147800.db2.gz ULFCONGTFKAEBS-PKKBDPGCSA-N 0 3 476.564 5.799 1 0 in-vitro JKAFHN C[S@@](=O)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040802214 563148580 /nfs/dbraw/zinc/14/85/80/563148580.db2.gz WHKWTWBLMAMRTJ-DHUJRADRSA-N 0 3 499.623 5.119 1 0 JKAFHN COc1ccc(N2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)CC1 ZINC000040822566 563148782 /nfs/dbraw/zinc/14/87/82/563148782.db2.gz GHDIPGSUJPFGKQ-FQEVSTJZSA-N 0 3 477.432 5.633 1 0 JKAFHN FCC1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040829055 563148851 /nfs/dbraw/zinc/14/88/51/563148851.db2.gz AEHBDXWWYVXDOD-OIFTYBNWSA-N 0 3 454.416 7.617 1 0 JKAFHN COc1cc2c(cc1OCc1ccccc1)[C@@H](Cc1ccc(OCc3ccccc3)cc1)NCC2 ZINC000040835223 563148939 /nfs/dbraw/zinc/14/89/39/563148939.db2.gz XJDFIDRLFSFTJH-GDLZYMKVSA-N 0 3 465.593 6.283 1 0 JKAFHN C(=C/c1ccccc1)\CN1CCN(CCCCCCn2c3ccccc3c3ccccc32)CC1 ZINC000040848246 563149515 /nfs/dbraw/zinc/14/95/15/563149515.db2.gz HSPBFHQLAFHJQB-NTCAYCPXSA-N 0 3 451.658 6.686 1 0 JKAFHN COc1ccc(CCCN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040849226 563149783 /nfs/dbraw/zinc/14/97/83/563149783.db2.gz YAQUOSHKTISRTI-UHFFFAOYSA-N 0 3 455.646 5.834 1 0 JKAFHN Fc1ccc(-c2cc(C3CCN(Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)on2)cc1 ZINC000040860500 563149934 /nfs/dbraw/zinc/14/99/34/563149934.db2.gz XFGOFMFYCWJSSL-UHFFFAOYSA-N 0 3 469.482 6.670 1 0 JKAFHN CCN(C(=O)Oc1ccc(F)cc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040863470 563150592 /nfs/dbraw/zinc/15/05/92/563150592.db2.gz ZEONQRRAUWWTEG-IDISGSTGSA-N 0 3 495.639 5.547 1 0 JKAFHN COc1cc2nc(N3CCN(C4CCCCC4)CC3)nc(NC3CCCCCC3)c2cc1OC ZINC000040865891 563151015 /nfs/dbraw/zinc/15/10/15/563151015.db2.gz ISQMRAVNYHYMRP-UHFFFAOYSA-N 0 3 467.658 5.236 1 0 JKAFHN CCN(C(=O)Cc1ccc(F)cc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040867221 563151308 /nfs/dbraw/zinc/15/13/08/563151308.db2.gz BGCIDNAGNOLNPE-DFHRPNOPSA-N 0 3 493.667 5.117 1 0 JKAFHN CNC(=O)NC1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040875469 563152289 /nfs/dbraw/zinc/15/22/89/563152289.db2.gz BLPNTGKZGRUNCM-QOEARLRASA-N 0 3 494.466 6.534 1 0 JKAFHN O=C(Nc1ccc2c(c1)C[C@H](NCc1ccccn1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000040898541 563154375 /nfs/dbraw/zinc/15/43/75/563154375.db2.gz FQVISFRAFHXJCA-RUZDIDTESA-N 0 3 487.525 6.277 1 0 JKAFHN CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000040913454 563154901 /nfs/dbraw/zinc/15/49/01/563154901.db2.gz VFEHYWWZSNCIAC-UHFFFAOYSA-N 0 3 453.630 5.717 1 0 JKAFHN Cc1cc(NC(=O)c2cccc(CN3CCCC3)c2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040933776 563156947 /nfs/dbraw/zinc/15/69/47/563156947.db2.gz CDDSYHKNCINBKQ-UHFFFAOYSA-N 0 3 481.040 5.776 1 0 JKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCCN1CCCCC1 ZINC000040952074 563159807 /nfs/dbraw/zinc/15/98/07/563159807.db2.gz SSYXDHNBTDRYDC-QHCPKHFHSA-N 0 3 496.664 6.651 1 0 JKAFHN CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)N(c1ccccc1)c1ccc(F)c(F)c1 ZINC000040953221 563160192 /nfs/dbraw/zinc/16/01/92/563160192.db2.gz SQORIUUNRIGPKO-UHFFFAOYSA-N 0 3 491.582 6.066 1 0 JKAFHN O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)N1Cc2ccccc2C1 ZINC000040953856 563160378 /nfs/dbraw/zinc/16/03/78/563160378.db2.gz OGAUNANMKAMDND-UHFFFAOYSA-N 0 3 453.630 5.578 1 0 in-vitro JKAFHN CN(C)CCOC(=O)CCCC(=O)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC000040974593 563161739 /nfs/dbraw/zinc/16/17/39/563161739.db2.gz NMKNEHMNHOHUHM-UHFFFAOYSA-N 0 3 474.768 5.620 1 0 JKAFHN Fc1ccc(-c2[nH]cc(CCCN3CCN(Cc4ccccc4)CC3)c2-c2ccncc2)cc1 ZINC000043015051 563164556 /nfs/dbraw/zinc/16/45/56/563164556.db2.gz UAPHBBISPACICY-UHFFFAOYSA-N 0 3 454.593 5.633 1 0 JKAFHN FC(F)Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043021899 563165039 /nfs/dbraw/zinc/16/50/39/563165039.db2.gz PMJQRZTZNLSQAZ-UHFFFAOYSA-N 0 3 484.805 7.475 1 0 JKAFHN Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nc(CNC3CCCC3)n2C2CC2)cc1 ZINC000043062858 563165894 /nfs/dbraw/zinc/16/58/94/563165894.db2.gz GTFBPXLNQSKHMU-UHFFFAOYSA-N 0 3 460.836 7.544 1 0 JKAFHN O=C(C=C1CCC(Oc2ccccc2)CC1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 ZINC000043074175 563166525 /nfs/dbraw/zinc/16/65/25/563166525.db2.gz BLIXSIRUUZYDMW-HSLSYKTRSA-N 0 3 458.577 5.617 1 0 JKAFHN C[C@@H](CNC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1 ZINC000043079019 563166898 /nfs/dbraw/zinc/16/68/98/563166898.db2.gz FEELMJWVBBMMQE-QFIPXVFZSA-N 0 3 470.613 5.404 1 0 JKAFHN CC(C)Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043120501 563167450 /nfs/dbraw/zinc/16/74/50/563167450.db2.gz OFILQCHYCUDDFI-UHFFFAOYSA-N 0 3 476.879 7.866 1 0 JKAFHN COc1ccc([C@@H](C)NC(=O)c2ccc(CC3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 ZINC000043122299 563167603 /nfs/dbraw/zinc/16/76/03/563167603.db2.gz XGHQCOKQRQZBOU-OAQYLSRUSA-N 0 3 486.612 5.370 1 0 JKAFHN CC(C)[C@@H]1CCC(=O)N(C2CCCCC2)CCc2cccc(c2)Oc2ccc3c(c2)CN1C(=N)N3 ZINC000043171639 563168136 /nfs/dbraw/zinc/16/81/36/563168136.db2.gz SQPMZLUNHQTZMU-MHZLTWQESA-N 0 3 474.649 5.763 1 0 JKAFHN CN1CCC(Oc2cc(NC(=O)Nc3ccc(-c4ccncc4)c(Cl)c3)ccc2Cl)CC1 ZINC000045167346 563173116 /nfs/dbraw/zinc/17/31/16/563173116.db2.gz BZOGOYQZVCYQJW-UHFFFAOYSA-N 0 3 471.388 6.172 1 0 JKAFHN Cc1ccc(CN2CCC(Oc3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)CC2)cc1 ZINC000045168617 563173787 /nfs/dbraw/zinc/17/37/87/563173787.db2.gz WOZZPBPDFYUJIO-UHFFFAOYSA-N 0 3 468.519 6.310 1 0 JKAFHN O=C(Nc1ccc(F)c(F)c1)c1ccc(CN2CCCN(Cc3cccc(F)c3)CC2)cc1 ZINC000045186652 563174174 /nfs/dbraw/zinc/17/41/74/563174174.db2.gz HJSHOFGCMNIVIF-UHFFFAOYSA-N 0 3 453.508 5.064 1 0 JKAFHN CN1CCC([NH2+]Cc2ccc(S(=O)(=O)[N-]c3ccc(Oc4cccc(Cl)c4)cc3)cc2)CC1 ZINC000045187569 563174409 /nfs/dbraw/zinc/17/44/09/563174409.db2.gz NNMBKGQYSGFHAN-UHFFFAOYSA-N 0 3 486.037 5.117 1 0 JKAFHN COc1cccc(CN2CCCN(Cc3cccc(NC(=O)c4cc5ccccc5s4)c3)CC2)c1 ZINC000045187375 563174468 /nfs/dbraw/zinc/17/44/68/563174468.db2.gz OFQWISNUZNETDP-UHFFFAOYSA-N 0 3 485.653 5.870 1 0 JKAFHN O=C(Nc1cccc(OCc2ccccc2)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000045187873 563174541 /nfs/dbraw/zinc/17/45/41/563174541.db2.gz BAWJCVJDAMADPR-UHFFFAOYSA-N 0 3 490.647 6.973 1 0 JKAFHN COc1ccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cc2)cc1 ZINC000045188268 563174685 /nfs/dbraw/zinc/17/46/85/563174685.db2.gz IVWDHEGMLMBGJL-UHFFFAOYSA-N 0 3 487.525 7.214 1 0 JKAFHN COc1ccccc1CN1CC[C@H](CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000045190946 563175647 /nfs/dbraw/zinc/17/56/47/563175647.db2.gz PYXDCDLMTRZFOM-QGZVFWFLSA-N 0 3 474.548 5.694 1 0 JKAFHN COc1ccccc1CN1CC[C@@H](CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000045190949 563175694 /nfs/dbraw/zinc/17/56/94/563175694.db2.gz PYXDCDLMTRZFOM-KRWDZBQOSA-N 0 3 474.548 5.694 1 0 JKAFHN COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1CN1CCC(O)CC1 ZINC000045191812 563176012 /nfs/dbraw/zinc/17/60/12/563176012.db2.gz BKTCZNYIJZCTQT-UHFFFAOYSA-N 0 3 450.966 5.225 1 0 JKAFHN CC(C)c1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4ccc(N(C)C)cc4)cs3)C2)cc1 ZINC000045192794 563176563 /nfs/dbraw/zinc/17/65/63/563176563.db2.gz LUHZETXPQXBRHR-JOCHJYFZSA-N 0 3 461.675 5.856 1 0 JKAFHN COc1cc(NC(=O)/C=C/c2ccccc2OC(F)(F)F)cc(OCCN2CCCCC2)c1 ZINC000045193471 563176637 /nfs/dbraw/zinc/17/66/37/563176637.db2.gz VMCGEFMEPCPIHE-MDZDMXLPSA-N 0 3 464.484 5.110 1 0 JKAFHN [O-]c1cc(Nc2ccnc3cc(-c4ccc(C[NH+]5CCCCC5)o4)ccc32)c(Cl)cc1F ZINC000045193990 563176932 /nfs/dbraw/zinc/17/69/32/563176932.db2.gz LQDDDBRIRPYMLA-UHFFFAOYSA-N 0 3 451.929 6.722 1 0 JKAFHN O=c1cc(NCCCN[C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 ZINC000045194604 563177158 /nfs/dbraw/zinc/17/71/58/563177158.db2.gz LZWLRNCRJRUWNB-RUZDIDTESA-N 0 3 452.385 6.016 1 0 JKAFHN O=C(CCCCCCc1ccccc1)Nc1ccc2nc3c(c(NCc4ccccc4)c2c1)CCCC3 ZINC000045194882 563177249 /nfs/dbraw/zinc/17/72/49/563177249.db2.gz POSDUARGLSJQJA-UHFFFAOYSA-N 0 3 491.679 7.857 1 0 JKAFHN COc1cc(NC(=O)N2CCc3ccc(OCCN4CCCCC4)cc32)cc(C(F)(F)F)c1 ZINC000045195433 563177405 /nfs/dbraw/zinc/17/74/05/563177405.db2.gz LWZZPVGLRCFPIY-UHFFFAOYSA-N 0 3 463.500 5.173 1 0 JKAFHN Cc1nc(-c2cccc3c(NC(=O)Nc4ccc5nccc(N6CCN(C)CC6)c5c4)cccc23)no1 ZINC000045195848 563177699 /nfs/dbraw/zinc/17/76/99/563177699.db2.gz OKNHYCKPCHECMH-UHFFFAOYSA-N 0 3 493.571 5.142 1 0 JKAFHN COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1CN(C)CCN(C)C ZINC000045196322 563177845 /nfs/dbraw/zinc/17/78/45/563177845.db2.gz CLDBYDJECAXLRA-UHFFFAOYSA-N 0 3 451.998 5.261 1 0 JKAFHN Cc1ccc(CN2CCCN(Cc3cccc(NC(=O)c4cc5ccccc5s4)c3)CC2)cc1C ZINC000045196170 563177867 /nfs/dbraw/zinc/17/78/67/563177867.db2.gz CIQBSIVITIYCNK-UHFFFAOYSA-N 0 3 483.681 6.478 1 0 JKAFHN COc1ccccc1-c1csc(C(=O)NC[C@@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C2)c1 ZINC000045201358 563178149 /nfs/dbraw/zinc/17/81/49/563178149.db2.gz YXNAOSFHMSSLOR-NRFANRHFSA-N 0 3 462.659 5.973 1 0 JKAFHN COc1ccccc1-c1csc(C(=O)NC[C@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C2)c1 ZINC000045201356 563178233 /nfs/dbraw/zinc/17/82/33/563178233.db2.gz YXNAOSFHMSSLOR-OAQYLSRUSA-N 0 3 462.659 5.973 1 0 JKAFHN FC(F)(F)c1ccc2c(c1)nccc2NCCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000045201561 563178273 /nfs/dbraw/zinc/17/82/73/563178273.db2.gz GWAYVJDWQBGFED-UHFFFAOYSA-N 0 3 450.386 6.345 1 0 JKAFHN CCOc1c(Br)cc(Br)cc1CNCCCCNc1nc2ccccc2[nH]1 ZINC000045201712 563178386 /nfs/dbraw/zinc/17/83/86/563178386.db2.gz HDUWTXJEUXJTKM-UHFFFAOYSA-N 0 3 496.247 5.469 1 0 JKAFHN CC(C)(C)c1ccc(NC(=O)c2ccc(CN3CCCN(Cc4ccsc4)CC3)cc2)cc1 ZINC000045201905 563178482 /nfs/dbraw/zinc/17/84/82/563178482.db2.gz IPXWEEHFALFFBB-UHFFFAOYSA-N 0 3 461.675 6.006 1 0 JKAFHN CCCc1ccc(NC(=O)c2ccc(CN3CCCN(Cc4cccc(O)c4)CC3)cc2)cc1 ZINC000045202345 563178681 /nfs/dbraw/zinc/17/86/81/563178681.db2.gz XZWGTNILZNMHNR-UHFFFAOYSA-N 0 3 457.618 5.305 1 0 JKAFHN FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(CNCc5ccccc5)c4)s3)nc2c1 ZINC000045202700 563179047 /nfs/dbraw/zinc/17/90/47/563179047.db2.gz KHSWLFPRJDBSMX-UHFFFAOYSA-N 0 3 463.528 7.267 1 0 JKAFHN CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3cc(CN4CCN(C)CC4)ccc3[nH]2)co1 ZINC000045210540 563179330 /nfs/dbraw/zinc/17/93/30/563179330.db2.gz CZOYHIYNXIKVKI-UHFFFAOYSA-N 0 3 494.039 5.244 1 0 JKAFHN CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3ccc(CN4CCN(C)CC4)cc3[nH]2)co1 ZINC000045210540 563179331 /nfs/dbraw/zinc/17/93/31/563179331.db2.gz CZOYHIYNXIKVKI-UHFFFAOYSA-N 0 3 494.039 5.244 1 0 JKAFHN CCc1ccc(NC(=O)c2ccc(CN3CCCN(Cc4cccc(Cl)c4)CC3)cc2)cc1 ZINC000045211080 563179691 /nfs/dbraw/zinc/17/96/91/563179691.db2.gz LRWFMOAANLHCJF-UHFFFAOYSA-N 0 3 462.037 5.863 1 0 JKAFHN Cc1cc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@@H](C)N(C)[C@@H](C)C5)cc34)cc2C)cc(C)n1 ZINC000045227130 563179900 /nfs/dbraw/zinc/17/99/00/563179900.db2.gz MBYXZTHDGYFIBC-SZPZYZBQSA-N 0 3 482.628 6.201 1 0 JKAFHN Nc1cccc(CNCc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)c1 ZINC000045227284 563180063 /nfs/dbraw/zinc/18/00/63/563180063.db2.gz HCQYZIZQRPJDFG-UHFFFAOYSA-N 0 3 472.514 6.788 1 0 JKAFHN C[C@H]1C[C@@H](NCCCNc2cc(=O)c3ccccc3[nH]2)c2cc(Cl)c(Cl)c(Cl)c21 ZINC000045227734 563180130 /nfs/dbraw/zinc/18/01/30/563180130.db2.gz VPQQBXYJMKGVQV-YVEFUNNKSA-N 0 3 450.797 6.128 1 0 JKAFHN CC(C)(C)c1ccc2[nH]c(-c3ccc(C=CC(=O)NC4CCN(Cc5ccccc5)CC4)cc3)nc2c1 ZINC000045228011 563180258 /nfs/dbraw/zinc/18/02/58/563180258.db2.gz TWTCHQSSUPFFBT-LFIBNONCSA-N 0 3 492.667 6.321 1 0 JKAFHN CC(C)(C)c1ccc2nc(-c3ccc(C=CC(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2c1 ZINC000045228011 563180259 /nfs/dbraw/zinc/18/02/59/563180259.db2.gz TWTCHQSSUPFFBT-LFIBNONCSA-N 0 3 492.667 6.321 1 0 JKAFHN CC(C)(C)c1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(Cl)c4)s3)CC2)cc1 ZINC000045228438 563180465 /nfs/dbraw/zinc/18/04/65/563180465.db2.gz KXUGXDHGZCMYFT-UHFFFAOYSA-N 0 3 467.078 6.760 1 0 JKAFHN COc1ccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1CN(C)CCN(C)C ZINC000045229417 563180769 /nfs/dbraw/zinc/18/07/69/563180769.db2.gz HUUCGZAYHJISNJ-UHFFFAOYSA-N 0 3 451.998 5.261 1 0 JKAFHN Cc1cccc(-c2ccc(NC(=O)Nc3ccc4nccc(N5CCN(C)CC5)c4c3)cc2C)n1 ZINC000045231115 563181378 /nfs/dbraw/zinc/18/13/78/563181378.db2.gz YOFLYTWRSGFIGR-UHFFFAOYSA-N 0 3 466.589 5.309 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045245401 563181707 /nfs/dbraw/zinc/18/17/07/563181707.db2.gz IGDSTPGRVUZEAO-UHFFFAOYSA-N 0 3 457.618 5.677 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3cccs3)CC2)cc1 ZINC000045254299 563182375 /nfs/dbraw/zinc/18/23/75/563182375.db2.gz HPLBEWFHWQSGMS-UHFFFAOYSA-N 0 3 491.701 6.084 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccncc3)CC2)cc1 ZINC000045257316 563182786 /nfs/dbraw/zinc/18/27/86/563182786.db2.gz SRCHCGWKBLCANK-UHFFFAOYSA-N 0 3 472.633 5.114 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)C2CCN(CCc3ccoc3)CC2)cc1 ZINC000045256735 563182795 /nfs/dbraw/zinc/18/27/95/563182795.db2.gz QYRIDQULGPNJJZ-UHFFFAOYSA-N 0 3 475.633 5.615 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000045260034 563183131 /nfs/dbraw/zinc/18/31/31/563183131.db2.gz SBIAACBNBGWKOI-UHFFFAOYSA-N 0 3 472.633 5.114 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)NC)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045284119 563183537 /nfs/dbraw/zinc/18/35/37/563183537.db2.gz BZWWVIRBGPPRQF-UHFFFAOYSA-N 0 3 498.671 5.331 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2ccccc2C(N)=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045286397 563184063 /nfs/dbraw/zinc/18/40/63/563184063.db2.gz GXTDUMFWGMMKCR-UHFFFAOYSA-N 0 3 484.644 5.070 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(NC(C)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045288285 563184394 /nfs/dbraw/zinc/18/43/94/563184394.db2.gz XTJAWYNXRXRTMU-UHFFFAOYSA-N 0 3 498.671 5.930 1 0 JKAFHN O=C1C[C@H](CN2CCC(c3noc4cc(F)ccc43)CC2)Cc2nc(-c3ccccc3)ncc21 ZINC000045291249 563185101 /nfs/dbraw/zinc/18/51/01/563185101.db2.gz LSEUGCSNKVUOIA-QGZVFWFLSA-N 0 3 456.521 5.049 1 0 JKAFHN Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)[C@@H](C)CN5CCN(C)CC5)c4)s3)nc21 ZINC000045302359 563186296 /nfs/dbraw/zinc/18/62/96/563186296.db2.gz VWHHEBWARHLMQO-IBGZPJMESA-N 0 3 473.646 5.089 1 0 JKAFHN Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)[C@@H](C)CN5CCN(C)CC5)c4)s3)[nH]c21 ZINC000045302359 563186297 /nfs/dbraw/zinc/18/62/97/563186297.db2.gz VWHHEBWARHLMQO-IBGZPJMESA-N 0 3 473.646 5.089 1 0 JKAFHN Cc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1[C@H](O)CN(C)Cc1ccccc1 ZINC000045302392 563186380 /nfs/dbraw/zinc/18/63/80/563186380.db2.gz BOFMKYCRLHRNOA-GDLZYMKVSA-N 0 3 467.609 6.318 1 0 JKAFHN CC(=O)Nc1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(Cl)c4)s3)CC2)cc1 ZINC000045302857 563186873 /nfs/dbraw/zinc/18/68/73/563186873.db2.gz HMULHXRQCFFKAO-UHFFFAOYSA-N 0 3 468.022 5.421 1 0 JKAFHN COc1cccc(CN2Cc3ccccc3OC3(CCN(Cc4c[nH]c5cnccc45)CC3)C2)c1 ZINC000045303186 563187046 /nfs/dbraw/zinc/18/70/46/563187046.db2.gz QYDKZYQNSSGAFC-UHFFFAOYSA-N 0 3 468.601 5.001 1 0 JKAFHN CCOc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000045315059 563187310 /nfs/dbraw/zinc/18/73/10/563187310.db2.gz XBWDDWHZPOSMJF-UHFFFAOYSA-N 0 3 489.019 5.676 1 0 JKAFHN O=C(COc1ccc(-c2ncccn2)cc1CN1CCCCCC1)NCc1ccccc1C(F)(F)F ZINC000045315785 563187432 /nfs/dbraw/zinc/18/74/32/563187432.db2.gz SVOKQIDSNHCLHN-UHFFFAOYSA-N 0 3 498.549 5.234 1 0 JKAFHN COc1cccc(-c2csc(C(=O)NC[C@H]3CCN(Cc4ccc(C(C)(C)C)cc4)C3)c2)c1 ZINC000045315884 563187435 /nfs/dbraw/zinc/18/74/35/563187435.db2.gz MBXZSQLAKYLOLH-OAQYLSRUSA-N 0 3 462.659 5.973 1 0 JKAFHN O=c1cc(NCCCN[C@@H]2CCCc3c(Cl)c(Cl)c(Cl)cc32)[nH]c2ccccc12 ZINC000045321773 563188244 /nfs/dbraw/zinc/18/82/44/563188244.db2.gz JPFCROIMCJVOKU-QGZVFWFLSA-N 0 3 450.797 5.958 1 0 JKAFHN CN(C)c1ccc(-c2csc(C(=O)NC[C@@H]3CCN(Cc4ccc(C(C)(C)C)cc4)C3)c2)cc1 ZINC000045323084 563188801 /nfs/dbraw/zinc/18/88/01/563188801.db2.gz XOJYNUSUDSBFHB-QFIPXVFZSA-N 0 3 475.702 6.031 1 0 JKAFHN COc1cccc(C(=O)[C@@H]2C[C@@H]2CN2CC=C(c3c[nH]c4cccc(Br)c43)CC2)c1 ZINC000045324617 563189281 /nfs/dbraw/zinc/18/92/81/563189281.db2.gz MXEWUAJHINAMCA-UYAOXDASSA-N 0 3 465.391 5.547 1 0 JKAFHN C[C@H]1C[C@H](NCCCNc2cc(=O)c3ccccc3[nH]2)c2c1c(Cl)cc(Cl)c2Cl ZINC000045335322 563190005 /nfs/dbraw/zinc/19/00/05/563190005.db2.gz CTPVOQBGROMYPN-SJCJKPOMSA-N 0 3 450.797 6.128 1 0 JKAFHN COCCNCc1cccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3cccnc3)cc2)c1 ZINC000045336807 563190323 /nfs/dbraw/zinc/19/03/23/563190323.db2.gz RDJGBZXPGUCPFB-UHFFFAOYSA-N 0 3 476.580 6.569 1 0 JKAFHN COC(=O)CC[C@@H](Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1ccc(Cl)cc1 ZINC000045355687 563192281 /nfs/dbraw/zinc/19/22/81/563192281.db2.gz TUCPVCINIMFUMB-JOCHJYFZSA-N 0 3 479.001 6.579 1 0 JKAFHN COC(=O)C[C@H](Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1ccc(Cl)cc1 ZINC000045367469 563193233 /nfs/dbraw/zinc/19/32/33/563193233.db2.gz OWPDWZYDCXEQLL-NRFANRHFSA-N 0 3 464.974 6.189 1 0 JKAFHN O[C@]1(c2ccc(Cl)cc2)CCCN(CCCN2Cc3ccccc3CCc3ccccc32)C1 ZINC000045367311 563193257 /nfs/dbraw/zinc/19/32/57/563193257.db2.gz ZGQISSOJKMZEHY-GDLZYMKVSA-N 0 3 461.049 5.819 1 0 JKAFHN N=C(N)c1cc2c(cccc2O[C@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c2ccccc2)s1 ZINC000045370929 563193684 /nfs/dbraw/zinc/19/36/84/563193684.db2.gz GKRCHWBIEBSANV-VWLOTQADSA-N 0 3 498.608 5.180 1 0 JKAFHN N=C(N)c1cc2c(cccc2O[C@@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c2ccccc2)s1 ZINC000045370933 563193701 /nfs/dbraw/zinc/19/37/01/563193701.db2.gz GKRCHWBIEBSANV-RUZDIDTESA-N 0 3 498.608 5.180 1 0 JKAFHN OC1(c2ccc(Cl)cc2)CCN(CCCN2Cc3ccccc3CCc3ccccc32)CC1 ZINC000045388550 563194805 /nfs/dbraw/zinc/19/48/05/563194805.db2.gz YYXBMROAMHLPEM-UHFFFAOYSA-N 0 3 461.049 5.819 1 0 JKAFHN O=C1c2cc([O-])ccc2-c2c1c1cc(F)ccc1nc2-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000045389200 563194910 /nfs/dbraw/zinc/19/49/10/563194910.db2.gz WOYKRZAICBUSRU-UHFFFAOYSA-N 0 3 468.528 5.823 1 0 JKAFHN CCCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1nc(-c2ccc3ccccc3c2)c[nH]1 ZINC000045496051 563195643 /nfs/dbraw/zinc/19/56/43/563195643.db2.gz OMJUQONVNINAJG-MHZLTWQESA-N 0 3 488.676 6.049 1 0 JKAFHN CN(CC(=O)N(C)[C@H](CN1CCCC1)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000045497206 563196031 /nfs/dbraw/zinc/19/60/31/563196031.db2.gz FCGNBJORLIKCKE-HHHXNRCGSA-N 0 3 496.482 6.392 1 0 JKAFHN c1ccc(-c2ccccc2OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000049017348 563197384 /nfs/dbraw/zinc/19/73/84/563197384.db2.gz QTXPSJZUMKDMGD-HHHXNRCGSA-N 0 3 451.566 5.639 1 0 JKAFHN CC(C)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(CC(C)(C)[NH3+])cc3)cc2)cc1 ZINC000049017376 563197395 /nfs/dbraw/zinc/19/73/95/563197395.db2.gz RFGKYVKBBOHMEL-UHFFFAOYSA-N 0 3 480.634 5.535 1 0 JKAFHN CCCCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC(C)(C)[NH2+]CC)cc2)cc1 ZINC000049019035 563197561 /nfs/dbraw/zinc/19/75/61/563197561.db2.gz QYENYBTUVWOIOP-UHFFFAOYSA-N 0 3 474.671 5.120 1 0 JKAFHN CC1(C)Cc2nc(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c(N3CCCC3)c2[C@@H](O)C1 ZINC000049032796 563198038 /nfs/dbraw/zinc/19/80/38/563198038.db2.gz TUTRAVGBVYSWPO-NRFANRHFSA-N 0 3 486.578 6.595 1 0 JKAFHN CCCN(Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1Cl)CC1CC1 ZINC000049037720 563199270 /nfs/dbraw/zinc/19/92/70/563199270.db2.gz GXHPILVBDANGNP-UHFFFAOYSA-N 0 3 473.370 6.689 1 0 JKAFHN Cc1cc(N2C[C@@H]3C[C@H]2CN3C)ccc1-c1ccnc2c(-c3cccc(O)c3)c(-c3ccncc3)nn21 ZINC000049050779 563200026 /nfs/dbraw/zinc/20/00/26/563200026.db2.gz RRSJWNKMMLAHOA-ZEQRLZLVSA-N 0 3 488.595 5.032 1 0 JKAFHN [O-]c1ccc(C[N@H+](Cc2ccc(C(F)(F)F)cc2)Cc2cccc3ncccc23)c2cccnc12 ZINC000049054537 563200511 /nfs/dbraw/zinc/20/05/11/563200511.db2.gz ZOFUWIAXSHYUFC-UHFFFAOYSA-N 0 3 473.498 6.710 1 0 JKAFHN [O-]c1ccc(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)Cc2cccc3ncccc23)c2cccnc12 ZINC000049054537 563200513 /nfs/dbraw/zinc/20/05/13/563200513.db2.gz ZOFUWIAXSHYUFC-UHFFFAOYSA-N 0 3 473.498 6.710 1 0 JKAFHN Oc1ccc2c(c1)OCCC1=C2[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2ccccc21 ZINC000049054983 563200613 /nfs/dbraw/zinc/20/06/13/563200613.db2.gz UHHJAEWQYDXZDY-PMERELPUSA-N 0 3 469.581 6.084 1 0 JKAFHN COc1cc2cccnc2c(N2CCN(C3CCN(c4ccc(F)c5c(C)cc(C)nc45)CC3)CC2)c1 ZINC000049089088 563201841 /nfs/dbraw/zinc/20/18/41/563201841.db2.gz GNNYYPQOLAQITN-UHFFFAOYSA-N 0 3 499.634 5.339 1 0 JKAFHN CCn1cc(-c2ccnc3[nH]c(CN(C)C)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049089473 563201977 /nfs/dbraw/zinc/20/19/77/563201977.db2.gz BTQCPHBDUJMLMF-UHFFFAOYSA-N 0 3 479.588 5.819 1 0 JKAFHN CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3c(F)cccc3F)CC2)CC1 ZINC000053050488 563204942 /nfs/dbraw/zinc/20/49/42/563204942.db2.gz GRLCSEWTOACLTP-UHFFFAOYSA-N 0 3 472.580 5.007 1 0 JKAFHN CC[C@H]1CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C ZINC000053064463 563205030 /nfs/dbraw/zinc/20/50/30/563205030.db2.gz YFVKRDMXSKCSGH-HDEPLQKNSA-N 0 3 473.661 5.750 1 0 JKAFHN CCCc1nc(-c2ccccc2)c(CNCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000053312943 563205830 /nfs/dbraw/zinc/20/58/30/563205830.db2.gz NHFAGHAKYQEPJP-UHFFFAOYSA-N 0 3 472.555 5.225 1 0 JKAFHN CC1(NC(=O)C2CCCCC2)CCN(CC[C@H](NC(=O)C2CCCCC2)c2cccc(F)c2)CC1 ZINC000053314020 563205859 /nfs/dbraw/zinc/20/58/59/563205859.db2.gz ATGWGVUKDPJYPX-SANMLTNESA-N 0 3 485.688 5.504 1 0 JKAFHN Cc1c(CN2CCCC2)cc(-c2ccc(C(F)(F)F)cc2)n1Nc1ccnc2cc(Cl)ccc21 ZINC000058580896 563207715 /nfs/dbraw/zinc/20/77/15/563207715.db2.gz CXFQDPPVGWQFGQ-UHFFFAOYSA-N 0 3 484.953 7.155 1 0 JKAFHN Cc1cccnc1[C@H](NC(=O)C1CCN(Cc2ccc3ccccc3n2)CC1)c1ccc(Cl)cc1 ZINC000061905550 563210318 /nfs/dbraw/zinc/21/03/18/563210318.db2.gz GZFZOISGFAEDKV-MUUNZHRXSA-N 0 3 485.031 5.709 3 0 JKAFHN N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cc(NCc3ccco3)ncn2)n1 ZINC000061905833 563210406 /nfs/dbraw/zinc/21/04/06/563210406.db2.gz LVTZYTQNPZWWBO-INIZCTEOSA-N 0 3 460.485 5.143 3 0 JKAFHN COc1ccccc1[C@H](NC(=O)C1CCN(CCOc2ccc3ccccc3c2)CC1)c1ccccn1 ZINC000061906511 563210472 /nfs/dbraw/zinc/21/04/72/563210472.db2.gz SVBACIABTPBUKV-PMERELPUSA-N 0 3 495.623 5.240 3 0 JKAFHN COc1ccc(OCCN2CCC(C(=O)N[C@H](c3ccsc3)c3ccccc3C)CC2)cc1 ZINC000061907415 563210641 /nfs/dbraw/zinc/21/06/41/563210641.db2.gz CXNWGEMAATUFHP-AREMUKBSSA-N 0 3 464.631 5.062 3 0 JKAFHN CC1=C2C[C@]34CC[C@@H](C5CCCCC5)[C@@]2(CC1)[C@@]3(C)CC1=CCC2=C1[C@H]4N1C[C@]13CCC[C@H]3C2 ZINC000085548247 560072108 /nfs/dbraw/zinc/07/21/08/560072108.db2.gz KPQNMKDIFMGNJG-GXXKMKLCSA-N 0 3 455.730 8.127 1 0 biogenic,in-vitro JKAFHN O=C(NCC1CCN(c2ccncc2)CC1)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000000602724 562918602 /nfs/dbraw/zinc/91/86/02/562918602.db2.gz DUHKLVFIUNWXHX-UHFFFAOYSA-N 0 3 463.969 5.025 1 0 JKAFHN CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 ZINC000001532942 562920471 /nfs/dbraw/zinc/92/04/71/562920471.db2.gz BSZGETWFQDIDDX-QPLCGJKRSA-N 0 3 497.420 6.601 1 0 JKAFHN CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(I)c1)c1ccccc1 ZINC000001533057 562920475 /nfs/dbraw/zinc/92/04/75/562920475.db2.gz JXGKDMBVOAZRLI-OCEACIFDSA-N 0 3 497.420 6.601 1 0 JKAFHN Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000001543842 562920967 /nfs/dbraw/zinc/92/09/67/562920967.db2.gz SSQLMQBZAPRIRS-UHFFFAOYSA-N 0 3 453.582 6.374 1 0 JKAFHN Cc1c(C(=O)c2nc3ccccc3n2C(C)C)oc2cccc(OCCCNCc3cccnc3)c12 ZINC000003588054 562927250 /nfs/dbraw/zinc/92/72/50/562927250.db2.gz NLFGVTSEQYLZGU-UHFFFAOYSA-N 0 3 482.584 5.857 1 0 JKAFHN Cc1ccc(O)c(NCCCN2CCC([C@](O)(c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000003783523 562927944 /nfs/dbraw/zinc/92/79/44/562927944.db2.gz ABUYFUJGCNZMKE-NDEPHWFRSA-N 0 3 465.037 5.804 1 0 JKAFHN CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2cc3ccccc3nc2C(C)C)cc1 ZINC000003787702 562928044 /nfs/dbraw/zinc/92/80/44/562928044.db2.gz WKNRGRCXVFHZJR-UHFFFAOYSA-N 0 3 496.717 6.862 1 0 JKAFHN O=C(c1c2ccc(O)cc2sc1C1CCCCC1)c1ccc(OCCN2CCCCC2)cc1 ZINC000003816592 562928995 /nfs/dbraw/zinc/92/89/95/562928995.db2.gz IZGMIMKTZXSTLH-UHFFFAOYSA-N 0 3 463.643 6.750 1 0 JKAFHN COc1cc2c(cc1OC[C@@H]1CCCN(C)C1)ncnc2Nc1ccc(Br)cc1F ZINC000003834192 562929650 /nfs/dbraw/zinc/92/96/50/562929650.db2.gz JFGLOXKNWPNMQT-CQSZACIVSA-N 0 3 475.362 5.004 1 0 JKAFHN Cc1cc2c(cccc2OC[C@@H](O)CN2CC[C@@H](c3cc4c(cccc4F)s3)C[C@@H]2C)[nH]1 ZINC000003928678 562929993 /nfs/dbraw/zinc/92/99/93/562929993.db2.gz JCVBXOOINMDPNB-OTWHNJEPSA-N 0 3 452.595 5.838 1 0 JKAFHN Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)Nc2ccccc2)cc1C ZINC000003948544 562930559 /nfs/dbraw/zinc/93/05/59/562930559.db2.gz AENNLOUNPCFAFV-UHFFFAOYSA-N 0 3 472.589 5.565 1 0 JKAFHN Oc1ccc2c(ccc3c2[C@H](c2ccc(OCCN4CCCCC4)cc2)c2cc(O)ccc2C3)c1 ZINC000003948510 562930588 /nfs/dbraw/zinc/93/05/88/562930588.db2.gz OEVSLFVSLIUCMB-SSEXGKCCSA-N 0 3 465.593 6.200 1 0 JKAFHN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000003955964 562930935 /nfs/dbraw/zinc/93/09/35/562930935.db2.gz SIYWRTMUIWZFHI-QFIPXVFZSA-N 0 3 470.457 5.853 1 0 JKAFHN COc1ccc(N2Cc3c(c4cc(Cl)c(Cl)cc4n3C)C2=O)cc1OCCN1CCCCC1 ZINC000003987583 562931603 /nfs/dbraw/zinc/93/16/03/562931603.db2.gz PTDVPXOIEWMMPL-UHFFFAOYSA-N 0 3 488.415 5.519 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(C(N)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000003988424 562931641 /nfs/dbraw/zinc/93/16/41/562931641.db2.gz YCKPFIZUVGRVLD-UHFFFAOYSA-N 0 3 484.644 5.070 1 0 JKAFHN O=C(c1ccc(OCCN2CCCCC2)cc1)N1c2ccc(O)cc2CC[C@@H]1c1ccccc1 ZINC000003990401 562931719 /nfs/dbraw/zinc/93/17/19/562931719.db2.gz DMRMYRIKDDOVCY-HHHXNRCGSA-N 0 3 456.586 5.591 1 0 JKAFHN Clc1ccc(C2=C(c3ccccc3)[C@@H](c3ccc(Cl)cc3)N3C(=N[C@H]4CCCC[C@@H]43)N2)cc1 ZINC000005832818 562935295 /nfs/dbraw/zinc/93/52/95/562935295.db2.gz YLEVINLUJCOCAK-NLJOTIRTSA-N 0 3 474.435 7.189 1 0 JKAFHN CCCn1c(-c2ccc(F)cc2)nc2c1nc(C)nc2NC1CCN(Cc2ccccc2)CC1 ZINC000008017208 562938422 /nfs/dbraw/zinc/93/84/22/562938422.db2.gz JHTNZCFUHGWKSA-UHFFFAOYSA-N 0 3 458.585 5.427 1 0 JKAFHN COc1cccc(-c2cn3c4ccc(C(=O)NC5CCN(Cc6ccccc6)CC5)cc4sc3n2)c1 ZINC000009406516 562956025 /nfs/dbraw/zinc/95/60/25/562956025.db2.gz YTXMJHFHUZFWIX-UHFFFAOYSA-N 0 3 496.636 5.619 1 0 JKAFHN C/C(=C\c1ccco1)CN1CCOc2ccc(CN3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000012030604 562958815 /nfs/dbraw/zinc/95/88/15/562958815.db2.gz DKAUDYJXQZDJDK-CJLVFECKSA-N 0 3 459.590 5.016 1 0 JKAFHN CCCN(CCN1CCCCC1)c1nc(C)nc2c1nn(C)c2-c1ccc(Cl)cc1Cl ZINC000013445135 562964083 /nfs/dbraw/zinc/96/40/83/562964083.db2.gz XRPJHBLEHUEPOX-UHFFFAOYSA-N 0 3 461.441 5.348 1 0 JKAFHN Cc1cc(NCc2ccccc2)c2cc(NC(=O)/C=C/c3ccccc3C(F)(F)F)ccc2n1 ZINC000013448067 562964486 /nfs/dbraw/zinc/96/44/86/562964486.db2.gz UZBKAOAWCVUGKY-SDNWHVSQSA-N 0 3 461.487 6.826 1 0 JKAFHN CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C3CC3)cn3ccccc23)cc1 ZINC000013451451 562964698 /nfs/dbraw/zinc/96/46/98/562964698.db2.gz DAKRFGZPLWAKBH-UHFFFAOYSA-N 0 3 482.690 6.321 1 0 JKAFHN Oc1ccc2c(c1)[C@@H](c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(O)ccc12 ZINC000013451388 562964747 /nfs/dbraw/zinc/96/47/47/562964747.db2.gz SGLLWAFQFIJSAO-GDLZYMKVSA-N 0 3 451.566 6.276 1 0 JKAFHN CC(C)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)C1=O ZINC000013452513 562964833 /nfs/dbraw/zinc/96/48/33/562964833.db2.gz ZGDSCXWBGXHUHE-UHFFFAOYSA-N 0 3 483.031 5.748 1 0 JKAFHN CN(C)Cc1ccc(CSCCCCCCCCSCc2ccc(CN(C)C)o2)o1 ZINC000013452585 562964837 /nfs/dbraw/zinc/96/48/37/562964837.db2.gz CINOACUWPXQJTR-UHFFFAOYSA-N 0 3 452.730 6.503 1 0 JKAFHN COc1cccc(NC(=O)Nc2ccccc2[C@H](O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000013475763 562967028 /nfs/dbraw/zinc/96/70/28/562967028.db2.gz PXKUWXKCLMVULX-HHHXNRCGSA-N 0 3 459.590 5.327 1 0 JKAFHN CN(C)c1cccc(N2CCc3cc(O)ccc3[C@@]2(C)c2ccc(OCCN3CCCCC3)cc2)c1 ZINC000013523403 562971100 /nfs/dbraw/zinc/97/11/00/562971100.db2.gz RPGDQMYAMWXMLX-WJOKGBTCSA-N 0 3 485.672 5.649 1 0 JKAFHN CN(C)c1cccc(N2CCc3cc(O)ccc3[C@]2(C)c2ccc(OCCN3CCCCC3)cc2)c1 ZINC000013523406 562971123 /nfs/dbraw/zinc/97/11/23/562971123.db2.gz RPGDQMYAMWXMLX-HKBQPEDESA-N 0 3 485.672 5.649 1 0 JKAFHN CC(C)c1ccc(N2CCc3cc(O)ccc3[C@@]2(C)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013523345 562971132 /nfs/dbraw/zinc/97/11/32/562971132.db2.gz DKSQEJYZOQNOID-JGCGQSQUSA-N 0 3 484.684 6.707 1 0 JKAFHN CCN(Cc1ccccc1)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000013525345 562971447 /nfs/dbraw/zinc/97/14/47/562971447.db2.gz XXHMLWITPFYBRZ-UHFFFAOYSA-N 0 3 499.658 7.196 1 0 JKAFHN COc1ccc2cc([C@@H]3CCN(C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)sc2c1 ZINC000013535669 562972675 /nfs/dbraw/zinc/97/26/75/562972675.db2.gz CLBIXESACWOVRD-SXLOBPIMSA-N 0 3 450.604 5.399 1 0 JKAFHN C[C@H]1C[C@H](c2cc3c(cccc3C(F)(F)F)s2)CCN1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535713 562972702 /nfs/dbraw/zinc/97/27/02/562972702.db2.gz IXVXZUNOBJNUJF-KSZLIROESA-N 0 3 488.575 6.409 1 0 JKAFHN Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000013559703 562975042 /nfs/dbraw/zinc/97/50/42/562975042.db2.gz GSOFQIRSCHLMHR-MSQQPOPZSA-N 0 3 471.000 5.692 1 0 JKAFHN COc1cc(Cl)ccc1N1CCN(CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000013586547 562976735 /nfs/dbraw/zinc/97/67/35/562976735.db2.gz STJAWCYYILSFEK-XMMPIXPASA-N 0 3 470.057 5.225 1 0 JKAFHN COc1cccc2sc([C@H]3CCN(C[C@H](O)COc4cccc5[nH]c(C)cc54)[C@@H](C)C3)cc21 ZINC000013587181 562976889 /nfs/dbraw/zinc/97/68/89/562976889.db2.gz MBTNZOCGXGVNLT-UFYCRDLUSA-N 0 3 464.631 5.707 1 0 JKAFHN Oc1ccc2c(c1)CC[C@]21C=C(c2ccc(OCCN3CCCCC3)c(F)c2)c2cc(O)ccc21 ZINC000013587753 562977340 /nfs/dbraw/zinc/97/73/40/562977340.db2.gz WVMNZAJEQFUSRW-PMERELPUSA-N 0 3 471.572 5.779 1 0 JKAFHN OCCOCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588190 562977471 /nfs/dbraw/zinc/97/74/71/562977471.db2.gz FTHVRWNSFRDQNV-UHFFFAOYSA-N 0 3 458.587 5.287 1 0 JKAFHN NC(=O)C1CCN(Cc2ccc(-c3cc4ncnc(Nc5ccc6[nH]ccc6c5)c4s3)cc2)CC1 ZINC000013588180 562977516 /nfs/dbraw/zinc/97/75/16/562977516.db2.gz PSRIIUUKNWOHQJ-UHFFFAOYSA-N 0 3 482.613 5.281 1 0 JKAFHN CCCC[C@@H]1Cc2cc(OC)ccc2-c2c(CNCc3ccccc3)c3ccc(OC)cc3n21 ZINC000013606398 562978732 /nfs/dbraw/zinc/97/87/32/562978732.db2.gz VEBGEVVMYXASBM-HSZRJFAPSA-N 0 3 454.614 6.903 1 0 JKAFHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccc(Cl)c(OCCc2ccc(Cl)cn2)c1 ZINC000013643332 562980378 /nfs/dbraw/zinc/98/03/78/562980378.db2.gz AKPBXRZTJLYEEN-UHFFFAOYSA-N 0 3 485.415 5.051 1 0 JKAFHN Cc1ccc(O)c(NCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000013651777 562981675 /nfs/dbraw/zinc/98/16/75/562981675.db2.gz AAXHNJPFQSAGMM-UHFFFAOYSA-N 0 3 466.572 5.429 1 0 JKAFHN CC(C)CN1CCC(=O)N([C@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000013661682 562982389 /nfs/dbraw/zinc/98/23/89/562982389.db2.gz IEABHKNILNTSFJ-JOCHJYFZSA-N 0 3 461.469 5.473 3 0 JKAFHN Cc1c(C(=O)c2ccccc2I)c2ccccc2n1C[C@@H]1CCCCN1C ZINC000013674195 562982910 /nfs/dbraw/zinc/98/29/10/562982910.db2.gz FPYAVJFDESIWFK-KRWDZBQOSA-N 0 3 472.370 5.270 1 0 JKAFHN Cc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3cccc(F)c3)c2c1 ZINC000013731190 562985203 /nfs/dbraw/zinc/98/52/03/562985203.db2.gz KVWQLRMPAWIIEC-UHFFFAOYSA-N 0 3 462.613 5.403 1 0 JKAFHN CC(C)NC(=O)N(C)CCN1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1 ZINC000013731205 562985221 /nfs/dbraw/zinc/98/52/21/562985221.db2.gz OOQIOHUDMXBFGA-UHFFFAOYSA-N 0 3 471.020 5.652 1 0 JKAFHN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc(CN(CCO)CCO)c2)CCCC1 ZINC000013736872 562985924 /nfs/dbraw/zinc/98/59/24/562985924.db2.gz SAKLOFOGXYWUIQ-UHFFFAOYSA-N 0 3 495.708 5.354 1 0 JKAFHN Clc1ccc(C/N=c2\ccn(Cc3ccccc3Cl)c3cc(Cl)ccc32)c(Cl)c1 ZINC000013741407 562987068 /nfs/dbraw/zinc/98/70/68/562987068.db2.gz OYBSFWKFFFMNHU-XAYXJRQQSA-N 0 3 462.207 7.404 1 0 JKAFHN CN(C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c2ccccc21 ZINC000013758035 562988901 /nfs/dbraw/zinc/98/89/01/562988901.db2.gz DTXYGININMLAPB-QHCPKHFHSA-N 0 3 482.411 6.289 1 0 JKAFHN C[C@@H]1SC(C)(C)C(=O)N1CCCCN1CCN(c2csc3cc(Cl)ccc32)CC1 ZINC000013759441 562989225 /nfs/dbraw/zinc/98/92/25/562989225.db2.gz NHIYPLSPTIMDLJ-INIZCTEOSA-N 0 3 452.089 5.157 1 0 JKAFHN Cc1sc2nc(SCCCN3CCN(c4cccc5ccccc54)CC3)[nH]c(=O)c2c1C ZINC000013761018 562989671 /nfs/dbraw/zinc/98/96/71/562989671.db2.gz PPNYEQDFKJTXGT-UHFFFAOYSA-N 0 3 464.660 5.059 1 0 JKAFHN COc1c(C(=O)NCCN2CCC(c3ccccc3)CC2)cc(Br)c2ccccc21 ZINC000013761271 562989869 /nfs/dbraw/zinc/98/98/69/562989869.db2.gz QSGHQJFWJBYZCL-UHFFFAOYSA-N 0 3 467.407 5.220 1 0 JKAFHN Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCCC3)cc1)c1c3ccccc3sc1-2 ZINC000013779326 562991406 /nfs/dbraw/zinc/99/14/06/562991406.db2.gz UOLDIIDQKRMCTR-HHHXNRCGSA-N 0 3 457.595 6.620 1 0 JKAFHN CN1CCC2(COc3ccc(NC(=O)N4CCC(c5c[nH]c6ccc(F)cc65)CC4)cc32)CC1 ZINC000013806251 562995285 /nfs/dbraw/zinc/99/52/85/562995285.db2.gz HIBNGDNAJQHLGU-UHFFFAOYSA-N 0 3 462.569 5.074 1 0 JKAFHN O=C(c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000013817825 562996921 /nfs/dbraw/zinc/99/69/21/562996921.db2.gz PMQYZWMILDAHGO-UHFFFAOYSA-N 0 3 483.837 6.414 1 0 JKAFHN O=C(c1oc2cc(O)ccc2c1-c1cccc2ccccc21)c1cccc(OCCN2CCCCC2)c1 ZINC000013818660 562997028 /nfs/dbraw/zinc/99/70/28/562997028.db2.gz VNAZBAMHSIJQKK-UHFFFAOYSA-N 0 3 491.587 7.054 1 0 JKAFHN CC(C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819431 562997277 /nfs/dbraw/zinc/99/72/77/562997277.db2.gz LMPPVKFSFVAECO-ZGIBFIJWSA-N 0 3 462.678 5.546 1 0 JKAFHN CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819431 562997279 /nfs/dbraw/zinc/99/72/79/562997279.db2.gz LMPPVKFSFVAECO-ZGIBFIJWSA-N 0 3 462.678 5.546 1 0 JKAFHN O=C(CCCN1CCN(c2ccc(F)cc2)CC1)N[C@@H]1c2ccccc2SC[C@@H]2CCCC[C@@H]21 ZINC000013820117 562997324 /nfs/dbraw/zinc/99/73/24/562997324.db2.gz BHRXKDVRJKFVJL-VSPOGIRPSA-N 0 3 481.681 5.498 1 0 JKAFHN O=C(CCCN1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2C=Cc2ccccc21 ZINC000013820498 562997373 /nfs/dbraw/zinc/99/73/73/562997373.db2.gz AOLWHMGSDPPEJZ-UHFFFAOYSA-N 0 3 455.577 5.118 1 0 JKAFHN O=S1(=O)c2cccc3cccc(c23)N1CCCCN1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000013826833 562998490 /nfs/dbraw/zinc/99/84/90/562998490.db2.gz UBXASEWIPOFEEF-UHFFFAOYSA-N 0 3 457.599 5.399 1 0 JKAFHN CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000013827372 562998634 /nfs/dbraw/zinc/99/86/34/562998634.db2.gz HFHJHTBFRUVYIO-UDUBSFCQSA-N 0 3 453.799 10.147 1 0 JKAFHN COc1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834283 563000864 /nfs/dbraw/zinc/00/08/64/563000864.db2.gz RPDULJACWWWFGZ-UHFFFAOYSA-N 0 3 487.621 6.378 1 0 JKAFHN O=C(c1c2ccc(Cl)cc2sc1-c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834289 563000894 /nfs/dbraw/zinc/00/08/94/563000894.db2.gz YOKOYDXFIYTRLT-UHFFFAOYSA-N 0 3 492.040 7.023 1 0 JKAFHN O=C(c1c2ccccc2sc1-c1ccc(Cl)cc1)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834287 563000911 /nfs/dbraw/zinc/00/09/11/563000911.db2.gz XMSRJZPUCFXEFO-UHFFFAOYSA-N 0 3 476.041 7.317 1 0 JKAFHN Clc1ccc(N2CCN(CC[C@@H](Oc3ccc4c(c3)OCO4)c3ccccc3)CC2)cc1 ZINC000013861710 563002537 /nfs/dbraw/zinc/00/25/37/563002537.db2.gz PZUUCLCSQURJFQ-XMMPIXPASA-N 0 3 450.966 5.401 1 0 JKAFHN FC(F)(F)c1ccc(O[C@@H](CCN2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 ZINC000013861706 563002570 /nfs/dbraw/zinc/00/25/70/563002570.db2.gz SMCJVPYCSOVUNZ-VWLOTQADSA-N 0 3 474.954 6.691 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CCN(C/C=C/c3ccccc3)C[C@@H]2C)cc1 ZINC000013862310 563002771 /nfs/dbraw/zinc/00/27/71/563002771.db2.gz JTOOPHYTASNWHN-UMFUWCKNSA-N 0 3 481.684 6.731 1 0 JKAFHN CCN(Cc1ccccc1)Cc1c(C(=O)N(CC)CC)nc2ccccc2c1-c1ccccc1 ZINC000013862496 563002839 /nfs/dbraw/zinc/00/28/39/563002839.db2.gz GXAQSWNUEMPKQP-UHFFFAOYSA-N 0 3 451.614 6.406 1 0 JKAFHN COc1c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc(Br)c2ccccc21 ZINC000013862872 563003075 /nfs/dbraw/zinc/00/30/75/563003075.db2.gz UGGRLDVMPAOIFF-SFHVURJKSA-N 0 3 453.380 5.005 1 0 JKAFHN Oc1ccc2c(ccc3c2[C@@H](c2ccc(OCCN4CCCCC4)cc2)c2c(O)cccc2C3)c1 ZINC000013976025 563004940 /nfs/dbraw/zinc/00/49/40/563004940.db2.gz BPIWCLNTNZQVRB-WJOKGBTCSA-N 0 3 465.593 6.200 1 0 JKAFHN CC[C@H]1CN2CCc3c4ccc(O)cc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000014616170 563006033 /nfs/dbraw/zinc/00/60/33/563006033.db2.gz KETKPZBETQITST-HVYZTVOGSA-N 0 3 468.645 5.919 1 0 JKAFHN CC[C@H]1CN2CCc3c4cc(O)ccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000014616160 563006046 /nfs/dbraw/zinc/00/60/46/563006046.db2.gz LJLFWHVFRNHBRP-HVYZTVOGSA-N 0 3 468.645 5.919 1 0 JKAFHN O[C@H]1CCCc2nc3ccccc3c(NCCCC(c3cccc(F)c3)c3cccc(F)c3)c21 ZINC000014946486 563006739 /nfs/dbraw/zinc/00/67/39/563006739.db2.gz RMJNBGWBTQUGAS-MHZLTWQESA-N 0 3 458.552 6.907 1 0 JKAFHN O[C@@H]1CCCc2nc3ccccc3c(NCCCC(c3ccc(F)cc3)c3ccc(F)cc3)c21 ZINC000014946483 563006773 /nfs/dbraw/zinc/00/67/73/563006773.db2.gz WFEGXUFMYIXSFD-HHHXNRCGSA-N 0 3 458.552 6.907 1 0 JKAFHN CCN1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014959615 563008225 /nfs/dbraw/zinc/00/82/25/563008225.db2.gz ZBYUTHMPEVJBEL-UHFFFAOYSA-N 0 3 469.010 5.274 1 0 JKAFHN CN(C)CCOc1nc(-c2ccccc2Cl)c2c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000014962955 563008545 /nfs/dbraw/zinc/00/85/45/563008545.db2.gz XOFKBZXMDGGJMM-UHFFFAOYSA-N 0 3 492.794 5.406 1 0 JKAFHN CN(C)Cc1ccc(Oc2ccc3c(c2)nccc3-c2c3n(nc2-c2ccccn2)CCC3)cc1 ZINC000014976431 563010383 /nfs/dbraw/zinc/01/03/83/563010383.db2.gz WFJCKKJFVJFWEA-UHFFFAOYSA-N 0 3 461.569 5.960 1 0 JKAFHN O[C@H](CSc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000019361028 563014882 /nfs/dbraw/zinc/01/48/82/563014882.db2.gz KMONIWZOMQQSPR-MHZLTWQESA-N 0 3 496.667 5.648 1 0 JKAFHN Fc1ccc(C(OCCN2CC[C@H]3CC[C@@H](C2)N3C/C=C/c2cccs2)c2ccc(F)cc2)cc1 ZINC000019365806 563015034 /nfs/dbraw/zinc/01/50/34/563015034.db2.gz YHNSGNNYYHUOIH-XIQCHAELSA-N 0 3 494.651 6.384 1 0 JKAFHN Fc1ccc(CCCN2CCN(CCO[C@@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000022925636 563017608 /nfs/dbraw/zinc/01/76/08/563017608.db2.gz ZYWYGPJJVKXGOA-NDEPHWFRSA-N 0 3 450.573 5.321 1 0 JKAFHN Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCN1CCN(C)CC1 ZINC000022925833 563017630 /nfs/dbraw/zinc/01/76/30/563017630.db2.gz OTAOVHITJRHQLO-UHFFFAOYSA-N 0 3 481.644 5.316 1 0 JKAFHN Cc1c2c(c(C)c(N)c1C)C[C@@](C)(CN1CCN(C(c3ccccc3)c3ccccc3)CC1)O2 ZINC000022934337 563018832 /nfs/dbraw/zinc/01/88/32/563018832.db2.gz MVSGXQSDPNEATA-PMERELPUSA-N 0 3 455.646 5.295 1 0 JKAFHN Cc1cccc([C@@]23C[C@@H]2[C@H](N(CCCN2CCN(C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000022935416 563018951 /nfs/dbraw/zinc/01/89/51/563018951.db2.gz XXDNNAGREZBRMJ-KODFZCBSSA-N 0 3 499.074 5.379 1 0 JKAFHN Fc1ccc(C(OCCN2CCN(CCCc3nc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1 ZINC000022938663 563019257 /nfs/dbraw/zinc/01/92/57/563019257.db2.gz RGFIOTJNFCFPOX-UHFFFAOYSA-N 0 3 490.598 5.198 1 0 JKAFHN Oc1cccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000022939420 563019343 /nfs/dbraw/zinc/01/93/43/563019343.db2.gz BNHLGYATHDKYII-UHFFFAOYSA-N 0 3 466.572 5.027 1 0 JKAFHN Oc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022939426 563019356 /nfs/dbraw/zinc/01/93/56/563019356.db2.gz KEPMHFZSPIKKQX-UHFFFAOYSA-N 0 3 466.572 5.027 1 0 JKAFHN COc1cccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000022939453 563019448 /nfs/dbraw/zinc/01/94/48/563019448.db2.gz YJZOCKRJFJPMEO-UHFFFAOYSA-N 0 3 480.599 5.330 1 0 JKAFHN CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)N(CC3CC3)C[C@@H]2C)cc1 ZINC000022939661 563019468 /nfs/dbraw/zinc/01/94/68/563019468.db2.gz AYWQCTYILXHFKM-RZIGYZOXSA-N 0 3 463.666 5.071 1 0 JKAFHN O=C(CCCN1CCN(Cc2ccc(O)cc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000022940073 563019475 /nfs/dbraw/zinc/01/94/75/563019475.db2.gz PNWUADARAZUXPI-ZLZBJJAKSA-N 0 3 493.717 5.060 1 0 JKAFHN COc1ccc(CCCN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022939459 563019485 /nfs/dbraw/zinc/01/94/85/563019485.db2.gz LQDLOQGQCCVLQR-UHFFFAOYSA-N 0 3 480.599 5.330 1 0 JKAFHN O=C(CCCN1CCN(CCc2ccccc2)CC1)NC1c2ccccc2C=Cc2ccccc21 ZINC000022940106 563019624 /nfs/dbraw/zinc/01/96/24/563019624.db2.gz DQKJTCBKYNLNMM-UHFFFAOYSA-N 0 3 465.641 5.017 1 0 JKAFHN Fc1ccc(C(OCCN2C[C@H]3CC[C@@H](C2)N3C/C=C/c2cccnc2)c2ccc(F)cc2)cc1 ZINC000022940908 563019679 /nfs/dbraw/zinc/01/96/79/563019679.db2.gz JBCSXADGPCPQQF-YCJSWRBTSA-N 0 3 475.583 5.328 1 0 JKAFHN CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NC2CCCCC2)CC1 ZINC000022941818 563019834 /nfs/dbraw/zinc/01/98/34/563019834.db2.gz KULZXADAJUBWTD-UHFFFAOYSA-N 0 3 470.661 5.490 1 0 JKAFHN Cc1ccc(NC[C@H](O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022941085 563019853 /nfs/dbraw/zinc/01/98/53/563019853.db2.gz FYRISFFOTULNGI-LJAQVGFWSA-N 0 3 493.642 5.276 1 0 JKAFHN COc1cccc(CN2CCC(O)(c3ccc4oc(C(=O)Nc5ccc(Cl)cc5)cc4c3)CC2)c1 ZINC000023250648 563020144 /nfs/dbraw/zinc/02/01/44/563020144.db2.gz BIKASPLXOQBZJO-UHFFFAOYSA-N 0 3 490.987 5.831 1 0 JKAFHN CC(C)(C)c1ccc(CN2Cc3ccccc3N(Cc3c[nH]cn3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025984350 563021091 /nfs/dbraw/zinc/02/10/91/563021091.db2.gz CCTBRCWXVIUBNA-SSEXGKCCSA-N 0 3 478.684 6.731 1 0 JKAFHN Cc1ccc(S(=O)(=O)N[C@H](CN[C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1 ZINC000026165978 563023059 /nfs/dbraw/zinc/02/30/59/563023059.db2.gz WOCAHMZLKFLFKN-RDGATRHJSA-N 0 3 458.627 5.389 1 0 JKAFHN O[C@@H](CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000026177009 563023499 /nfs/dbraw/zinc/02/34/99/563023499.db2.gz HVWWOIDJLSKQLV-OIKPOIBNSA-N 0 3 452.520 5.927 1 0 JKAFHN O[C@@H](CCCN1CC[C@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000026180627 563023767 /nfs/dbraw/zinc/02/37/67/563023767.db2.gz HVWWOIDJLSKQLV-URORMMCBSA-N 0 3 452.520 5.927 1 0 JKAFHN O=C1c2ccccc2C(=O)N1CCCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026249355 563024416 /nfs/dbraw/zinc/02/44/16/563024416.db2.gz JIWKXPYRGPURED-AHKZPQOWSA-N 0 3 487.550 5.351 1 0 JKAFHN O=C(NCCCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000026253492 563024525 /nfs/dbraw/zinc/02/45/25/563024525.db2.gz MMXZMOPOEQCCMR-XNMGPUDCSA-N 0 3 461.556 5.485 1 0 JKAFHN CC1(C)Oc2cc(O)ccc2[C@@H](c2ccc(OCCN3CCCCC3)cc2)[C@H]1c1ccccc1 ZINC000026260649 563024696 /nfs/dbraw/zinc/02/46/96/563024696.db2.gz OONKDFGHNVJXNG-FQLXRVMXSA-N 0 3 457.614 6.344 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCCCCC[C@@H](Sc1ccccc1)c1ccccc1)CC2 ZINC000026273819 563025193 /nfs/dbraw/zinc/02/51/93/563025193.db2.gz PXPALVLDMLCHHI-SSEXGKCCSA-N 0 3 475.698 7.546 1 0 JKAFHN N=C(Nc1ccccc1C=Cc1c(F)c(F)c(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2 ZINC000026489314 563028395 /nfs/dbraw/zinc/02/83/95/563028395.db2.gz KKAWKXOIYYUHRX-AATRIKPKSA-N 0 3 461.478 6.458 1 0 JKAFHN c1ccc(CCNCc2cccc(COc3nn4c(nnc4C4CCCCC4)c4ccccc43)n2)cc1 ZINC000026495292 563028671 /nfs/dbraw/zinc/02/86/71/563028671.db2.gz LETNYHCWJKSFMR-UHFFFAOYSA-N 0 3 492.627 5.632 1 0 JKAFHN C[C@@H](CNCc1cccc(COc2nn3c(nnc3C(F)(F)F)c3ccccc32)n1)c1ccccc1 ZINC000026497029 563028862 /nfs/dbraw/zinc/02/88/62/563028862.db2.gz MARYJKFBRZVLCP-KRWDZBQOSA-N 0 3 492.505 5.164 1 0 JKAFHN COc1ccc(CCOc2cc(N)c(Cl)cc2C(=O)CCCCN2CCCCC2)cc1OC ZINC000026501489 563029169 /nfs/dbraw/zinc/02/91/69/563029169.db2.gz WHYWHMITSXLBNM-UHFFFAOYSA-N 0 3 475.029 5.400 1 0 JKAFHN c1ccc(CCNCc2cccc(COc3nn4c(-c5ccccc5)nnc4c4ccccc43)n2)cc1 ZINC000026502472 563029235 /nfs/dbraw/zinc/02/92/35/563029235.db2.gz BYBVYBPNKHNUTQ-UHFFFAOYSA-N 0 3 486.579 5.251 1 0 JKAFHN CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCc2cccs2)CC1 ZINC000026567093 563029694 /nfs/dbraw/zinc/02/96/94/563029694.db2.gz RHPDRPGPBGLYLL-UHFFFAOYSA-N 0 3 457.640 5.629 1 0 JKAFHN CCc1c(-c2ccc(O)cc2)oc(-c2ccccc2)c1-c1ccc(OCCN2CCCCC2)cc1 ZINC000026568333 563029746 /nfs/dbraw/zinc/02/97/46/563029746.db2.gz AFAUDWQMESQGPR-UHFFFAOYSA-N 0 3 467.609 7.413 1 0 JKAFHN CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCc2scnc2C)CC1 ZINC000026572424 563030136 /nfs/dbraw/zinc/03/01/36/563030136.db2.gz HXWJKAXBLCHADB-UHFFFAOYSA-N 0 3 472.655 5.333 1 0 JKAFHN O[C@@H](CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000026576407 563030622 /nfs/dbraw/zinc/03/06/22/563030622.db2.gz HPCHCQKXJNQWHO-NDEPHWFRSA-N 0 3 465.588 5.234 1 0 JKAFHN [O-]c1cc(F)c2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)[C@H](c1ccc(O)cc1)S2 ZINC000026657943 563032659 /nfs/dbraw/zinc/03/26/59/563032659.db2.gz YHHMXCKYOBTMCT-FTJBHMTQSA-N 0 3 481.589 6.069 1 0 JKAFHN COc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000026661006 563032728 /nfs/dbraw/zinc/03/27/28/563032728.db2.gz DVAHOHVVLYMDAM-WUFINQPMSA-N 0 3 477.626 6.233 1 0 JKAFHN COc1ccc([C@H]2Sc3cc(O)ccc3O[C@@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000026660994 563032739 /nfs/dbraw/zinc/03/27/39/563032739.db2.gz DVAHOHVVLYMDAM-VSGBNLITSA-N 0 3 477.626 6.233 1 0 JKAFHN Oc1cccc([C@@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCCCC3)cc2)c1 ZINC000026663203 563032798 /nfs/dbraw/zinc/03/27/98/563032798.db2.gz NAULYXADLNIEES-SVBPBHIXSA-N 0 3 463.599 5.930 1 0 JKAFHN O=C(c1ccc(F)cc1)C1CCN(C[C@H]2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1 ZINC000026662328 563032837 /nfs/dbraw/zinc/03/28/37/563032837.db2.gz PTZUOUKVZMOWMQ-WWKQIGMOSA-N 0 3 455.573 5.939 1 0 JKAFHN [O-]c1ccc2c(c1Cl)S[C@@H](c1ccc(O)cc1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026665173 563032918 /nfs/dbraw/zinc/03/29/18/563032918.db2.gz QRDLPLOFYAWIKS-FTJBHMTQSA-N 0 3 498.044 6.583 1 0 JKAFHN COC(=O)[C@H]1CCC[C@H](NCc2n[nH]c3cccc(OCc4ccc(Cl)c(Cl)c4)c32)C1 ZINC000026727655 563034059 /nfs/dbraw/zinc/03/40/59/563034059.db2.gz OAYAVSHLOXDZCU-HOTGVXAUSA-N 0 3 462.377 5.270 1 0 JKAFHN Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(-c6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026729367 563034145 /nfs/dbraw/zinc/03/41/45/563034145.db2.gz LAFAZHYCYGLKBS-KLWPZSMLSA-N 0 3 490.603 5.240 1 0 JKAFHN Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(-c6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000026734321 563034311 /nfs/dbraw/zinc/03/43/11/563034311.db2.gz KLYHOTNAJOEIKN-KLWPZSMLSA-N 0 3 490.603 5.240 1 0 JKAFHN COc1ccc(C2=C(OC(C)=O)c3ccc(CN(C)C)n3-c3cc(Cl)ccc3S2)cc1 ZINC000026742214 563034772 /nfs/dbraw/zinc/03/47/72/563034772.db2.gz XLKYMMNWENWFIB-UHFFFAOYSA-N 0 3 454.979 5.696 1 0 JKAFHN C[C@H](Nc1nccc(-c2oc(C3(O)CCN(C)CC3)nc2-c2ccc(F)cc2)n1)c1ccccc1 ZINC000027181590 563040806 /nfs/dbraw/zinc/04/08/06/563040806.db2.gz NFQBSQZNMWBYAC-SFHVURJKSA-N 0 3 473.552 5.024 1 0 JKAFHN C[C@H](Nc1cc(-c2[nH]c(C3(O)CCN(C)CC3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000027189000 563040929 /nfs/dbraw/zinc/04/09/29/563040929.db2.gz NIHRDFVTTPUXSZ-IBGZPJMESA-N 0 3 471.580 5.364 1 0 JKAFHN C[C@H](Nc1cc(-c2nc(C3(O)CCN(C)CC3)[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000027189000 563040930 /nfs/dbraw/zinc/04/09/30/563040930.db2.gz NIHRDFVTTPUXSZ-IBGZPJMESA-N 0 3 471.580 5.364 1 0 JKAFHN Oc1ccc([C@H]2Sc3cc(O)ccc3S[C@H]2c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000027198247 563041279 /nfs/dbraw/zinc/04/12/79/563041279.db2.gz HRVIOIRMUAIGBG-RRPNLBNLSA-N 0 3 479.667 6.643 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccccc1OCCN1CCCC1 ZINC000027653714 563048911 /nfs/dbraw/zinc/04/89/11/563048911.db2.gz FICHCAISVCBNQX-WDYNHAJCSA-N 0 3 457.614 6.257 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@H]2c1ccccc1OCCN1CCCC1 ZINC000027653717 563048958 /nfs/dbraw/zinc/04/89/58/563048958.db2.gz FICHCAISVCBNQX-VMPREFPWSA-N 0 3 457.614 6.257 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccccc1OCCN1CCCC1 ZINC000027653710 563048964 /nfs/dbraw/zinc/04/89/64/563048964.db2.gz FICHCAISVCBNQX-URLMMPGGSA-N 0 3 457.614 6.257 1 0 JKAFHN CC(C)c1ccc(/C=C/C(=O)NCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027655916 563049114 /nfs/dbraw/zinc/04/91/14/563049114.db2.gz QENRJDWHOVNCOX-FBMGVBCBSA-N 0 3 496.699 5.522 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2 ZINC000027705997 563049506 /nfs/dbraw/zinc/04/95/06/563049506.db2.gz FQNDQOMFGJMDSQ-UHFFFAOYSA-N 0 3 492.619 6.224 1 0 JKAFHN COc1cc2c(cc1OC)[C@H](CCN1CCN(c3cccc(Cl)c3)CC1)OCC(C)(C)C2 ZINC000027740838 563051073 /nfs/dbraw/zinc/05/10/73/563051073.db2.gz JCQADVNJQMJDRK-QHCPKHFHSA-N 0 3 459.030 5.210 1 0 JKAFHN COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1c(Cl)ccc(Cl)c1Cl ZINC000027846136 563051808 /nfs/dbraw/zinc/05/18/08/563051808.db2.gz AIBYDPNRZIDCCL-RDPSFJRHSA-N 0 3 481.851 5.808 1 0 JKAFHN COc1ccc(CCN2CCC([C@@](O)(c3nc4ccccc4s3)c3ccccc3)CC2)cc1 ZINC000027867412 563052415 /nfs/dbraw/zinc/05/24/15/563052415.db2.gz AHZRSQHYLLBKAE-MUUNZHRXSA-N 0 3 458.627 5.496 1 0 JKAFHN COc1ccc(CCN2CCC([C@](O)(c3nc4ccccc4s3)c3ccccc3)CC2)cc1 ZINC000027867405 563052437 /nfs/dbraw/zinc/05/24/37/563052437.db2.gz AHZRSQHYLLBKAE-NDEPHWFRSA-N 0 3 458.627 5.496 1 0 JKAFHN COc1cc2c(cc1OC)C(C)(C)CO[C@@H]2CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000027900127 563053269 /nfs/dbraw/zinc/05/32/69/563053269.db2.gz KRTLVNHHWJVSMS-JOCHJYFZSA-N 0 3 478.555 5.284 1 0 JKAFHN CCCC(=O)OCC1(N(C(=O)CCC)c2ccccc2)CCN(CCc2ccccc2)CC1 ZINC000028102429 563056164 /nfs/dbraw/zinc/05/61/64/563056164.db2.gz XCHRGNXLNYSDCG-UHFFFAOYSA-N 0 3 450.623 5.240 1 0 JKAFHN CCC(=O)N(c1ccccc1)C1(COC(=O)C(C)(C)C)CCN(CCc2ccccc2)CC1 ZINC000028107526 563056313 /nfs/dbraw/zinc/05/63/13/563056313.db2.gz QRCXYMGNANJACB-UHFFFAOYSA-N 0 3 450.623 5.096 1 0 JKAFHN CCCN(CCC1CC1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028133497 563057493 /nfs/dbraw/zinc/05/74/93/563057493.db2.gz SGDCHFYJEJDSGX-UHFFFAOYSA-N 0 3 486.818 7.878 1 0 JKAFHN Cc1ccc(Cl)c(OC2(CCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)CCCCC2)c1 ZINC000028134656 563057498 /nfs/dbraw/zinc/05/74/98/563057498.db2.gz MKACZIXYZBAILC-UHFFFAOYSA-N 0 3 468.041 6.100 1 0 JKAFHN Cc1cc(C(=O)Nc2ccc(N3CCCN(C)CC3)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028230199 563058315 /nfs/dbraw/zinc/05/83/15/563058315.db2.gz QNUQOOIXQMSABG-UHFFFAOYSA-N 0 3 474.008 5.382 1 0 JKAFHN CC(=O)N1CCc2ccc(N(C(=O)/C=C\c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000028245254 563058848 /nfs/dbraw/zinc/05/88/48/563058848.db2.gz RPUTVAIXMBFZLI-QINSGFPZSA-N 0 3 479.624 5.307 1 0 JKAFHN Oc1ccc2c(c1)CC[C@@H]1c3ccc(O)cc3C[C@H](c3ccc(OCCN4CCCCC4)cc3)[C@H]21 ZINC000028262868 563059381 /nfs/dbraw/zinc/05/93/81/563059381.db2.gz VSRTVMSVXZRISK-JFHPUIQFSA-N 0 3 469.625 6.116 1 0 JKAFHN FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN(CC1CC1)CC1CC1 ZINC000028331128 563059628 /nfs/dbraw/zinc/05/96/28/563059628.db2.gz NZZKWIYCGSZOML-UHFFFAOYSA-N 0 3 484.802 7.488 1 0 JKAFHN CCNC(=O)c1ccc(C(c2ccc(CO)cc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccsc2)cc1 ZINC000028391400 563063622 /nfs/dbraw/zinc/06/36/22/563063622.db2.gz JNOAWYAGILVDHC-MKPDMIMOSA-N 0 3 472.654 5.619 1 0 JKAFHN CCNC(=O)c1ccc(C(c2cccc(CO)c2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028391391 563063625 /nfs/dbraw/zinc/06/36/25/563063625.db2.gz MHLNZUHNQUGTNQ-MKPDMIMOSA-N 0 3 456.586 5.151 1 0 JKAFHN CCNC(=O)c1ccc(C(c2cnc3ccccc3c2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028393179 563063688 /nfs/dbraw/zinc/06/36/88/563063688.db2.gz TZLCPVVZKIJKFX-HNRBIFIRSA-N 0 3 477.608 6.206 1 0 JKAFHN CCN(CCC1CC1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028463660 563064913 /nfs/dbraw/zinc/06/49/13/563064913.db2.gz FZCQJARVZGTQEK-UHFFFAOYSA-N 0 3 468.567 6.844 1 0 JKAFHN O=C(NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1ccccc1 ZINC000028522343 563066514 /nfs/dbraw/zinc/06/65/14/563066514.db2.gz AHHOJFQACICXEL-DEOSSOPVSA-N 0 3 474.571 5.519 1 0 JKAFHN CC(C)(C)c1ccc([C@@H](CNC(=O)Nc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028522225 563066537 /nfs/dbraw/zinc/06/65/37/563066537.db2.gz ZJTXGBBFIYXPJP-HHHXNRCGSA-N 0 3 462.682 5.797 1 0 JKAFHN O=C(Nc1ccccc1NC(=O)c1ccc2cc[nH]c2c1)OCC1CCN(c2ccncc2)CC1 ZINC000028522998 563066650 /nfs/dbraw/zinc/06/66/50/563066650.db2.gz RMZGLGIDBJZDHV-UHFFFAOYSA-N 0 3 469.545 5.280 1 0 JKAFHN O=C(NC[C@@H](c1ccccc1)N1CCN(C2CCCCC2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000028523046 563066684 /nfs/dbraw/zinc/06/66/84/563066684.db2.gz BCSKODLJXCHOJX-DEOSSOPVSA-N 0 3 474.571 5.519 1 0 JKAFHN c1ccc(C[C@H]2CN(c3cc(-c4ccncc4)c(-c4cccc5ccccc54)nn3)CCN2)cc1 ZINC000028524971 563067368 /nfs/dbraw/zinc/06/73/68/563067368.db2.gz XIVCTUUZZNBGSI-VWLOTQADSA-N 0 3 457.581 5.380 1 0 JKAFHN O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000028636854 563071850 /nfs/dbraw/zinc/07/18/50/563071850.db2.gz SLRJADSWYSEKOR-MHZLTWQESA-N 0 3 457.614 5.197 1 0 JKAFHN Cc1ccc([C@@H](CN2CCN(CCCCc3cccc4ccccc43)CC2)N2CCN(C)CC2)cc1 ZINC000028646219 563073311 /nfs/dbraw/zinc/07/33/11/563073311.db2.gz XZBKLRRYJOUOQG-JGCGQSQUSA-N 0 3 484.732 5.077 1 0 JKAFHN COc1cccc(N2CCN(CCCC(=O)Nc3cc(Cl)c(Cl)c(Cl)c3)CC2)c1 ZINC000028647184 563073571 /nfs/dbraw/zinc/07/35/71/563073571.db2.gz PLHVKTJAFVJYHK-UHFFFAOYSA-N 0 3 456.801 5.196 1 0 JKAFHN CC(=O)c1ccc(C2=CC[C@H](N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650263 563073755 /nfs/dbraw/zinc/07/37/55/563073755.db2.gz JPJRQKREDRIUHQ-FQEVSTJZSA-N 0 3 490.044 6.309 1 0 JKAFHN O=C(Nc1ccc(F)c(Cl)c1)N(CCN1CCCC1)[C@H]1CC=C(c2cc3ccccc3o2)CC1 ZINC000028650239 563073759 /nfs/dbraw/zinc/07/37/59/563073759.db2.gz AQGJEMXORVBGAH-QFIPXVFZSA-N 0 3 481.999 6.791 1 0 JKAFHN CC(=O)c1ccc(C2=CC[C@@H](N(CCN3CCCC3)C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000028650259 563073781 /nfs/dbraw/zinc/07/37/81/563073781.db2.gz JPJRQKREDRIUHQ-HXUWFJFHSA-N 0 3 490.044 6.309 1 0 JKAFHN Nc1nc([C@H](CCN2CCCCC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702701 563074698 /nfs/dbraw/zinc/07/46/98/563074698.db2.gz XFVWAKPKFXKTQB-INIZCTEOSA-N 0 3 494.505 5.039 1 0 JKAFHN CC(C)c1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000028710084 563076009 /nfs/dbraw/zinc/07/60/09/563076009.db2.gz LSMUQPOCAXNDRJ-UHFFFAOYSA-N 0 3 487.665 8.054 1 0 JKAFHN Oc1ccc2c(ccc(-c3cccc(F)c3)c2Oc2ccc(OCCN3CCCCC3)cc2)c1 ZINC000028710034 563076013 /nfs/dbraw/zinc/07/60/13/563076013.db2.gz ZPECPOOQJUIDLY-UHFFFAOYSA-N 0 3 457.545 7.009 1 0 JKAFHN Oc1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000028710032 563076049 /nfs/dbraw/zinc/07/60/49/563076049.db2.gz LXRGAVBXYQAUEY-UHFFFAOYSA-N 0 3 455.554 6.575 1 0 JKAFHN Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)[C@H](C)c2ccc(F)cc2)CC1 ZINC000028710187 563076058 /nfs/dbraw/zinc/07/60/58/563076058.db2.gz AFEOXYGIEXXWKX-OAQYLSRUSA-N 0 3 467.629 5.218 1 0 JKAFHN CC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc(Oc4ccc(Cl)c(Cl)c4)c3)CC2)c1 ZINC000028710581 563076162 /nfs/dbraw/zinc/07/61/62/563076162.db2.gz PRZKEUYSBKIHQC-UHFFFAOYSA-N 0 3 497.466 7.760 1 0 JKAFHN CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)c1 ZINC000028710589 563076164 /nfs/dbraw/zinc/07/61/64/563076164.db2.gz MJDBJIACJNGVIM-UHFFFAOYSA-N 0 3 464.556 6.731 1 0 JKAFHN CCCCN(C)c1ccc2nc(-c3ccccc3OC)n(C[C@@H]3CCCN(CC)C3)c(=O)c2c1 ZINC000028712131 563076781 /nfs/dbraw/zinc/07/67/81/563076781.db2.gz MFHFVHMRADFDJS-OAQYLSRUSA-N 0 3 462.638 5.040 1 0 JKAFHN CCCCN[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H](NCCCC)c1ccc(Cl)c(Cl)c1 ZINC000028765083 563078599 /nfs/dbraw/zinc/07/85/99/563078599.db2.gz UXKYQZRABDQNHH-VXKWHMMOSA-N 0 3 462.292 7.862 1 0 JKAFHN CCCCN[C@H](c1ccc(Cl)c(Cl)c1)[C@H](NCCCC)c1ccc(Cl)c(Cl)c1 ZINC000028765085 563078626 /nfs/dbraw/zinc/07/86/26/563078626.db2.gz UXKYQZRABDQNHH-FGZHOGPDSA-N 0 3 462.292 7.862 1 0 JKAFHN C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)CCO)ccn32)n1)c1ccccc1 ZINC000028822146 563080949 /nfs/dbraw/zinc/08/09/49/563080949.db2.gz OWPJUFRFPZDUQE-FQEVSTJZSA-N 0 3 496.590 5.195 1 0 JKAFHN Cc1ccc([C@H](N)CC(C)C)c(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3Cl)CC2)n1 ZINC000028826800 563082522 /nfs/dbraw/zinc/08/25/22/563082522.db2.gz BONGGUKXPVMFJN-UZUQRXQVSA-N 0 3 477.480 5.270 1 0 JKAFHN CSc1ccc([C@@H]2CN(C)Cc3cccc(Oc4cncc(CN5CCCCC5)c4)c32)cc1 ZINC000028827074 563082787 /nfs/dbraw/zinc/08/27/87/563082787.db2.gz QDKMCOBSBCRFOL-SANMLTNESA-N 0 3 459.659 6.159 1 0 JKAFHN COc1cc2c(cc1OC)[C@@H]1[C@H]3Cc4ccccc4CN3[C@@H](Cc3cccc4ccccc43)[C@H](C2)N1C ZINC000028880563 563084718 /nfs/dbraw/zinc/08/47/18/563084718.db2.gz JKUHXVDPZIVTHA-HBRHGHBMSA-N 0 3 490.647 5.806 1 0 JKAFHN Cc1ccc2c(cc(Cl)cc2OCCN2CCC(Cc3cc(F)c4c(c3)NC(=O)CO4)CC2)n1 ZINC000028887302 563085012 /nfs/dbraw/zinc/08/50/12/563085012.db2.gz VNCBCPIVWAMDIB-UHFFFAOYSA-N 0 3 483.971 5.000 1 0 JKAFHN Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1CN(C)CCc1ccccn1 ZINC000028903851 563086449 /nfs/dbraw/zinc/08/64/49/563086449.db2.gz IRWPFZHJKZQNRC-UHFFFAOYSA-N 0 3 458.997 5.321 1 0 JKAFHN CCN(CCc1ccccc1)Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903760 563086523 /nfs/dbraw/zinc/08/65/23/563086523.db2.gz ORVCRMXDRRMSFI-UHFFFAOYSA-N 0 3 472.036 6.316 1 0 JKAFHN CCCN(Cc1c(C(F)(F)F)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028903383 563086534 /nfs/dbraw/zinc/08/65/34/563086534.db2.gz AZRZXCRQDGIRRE-UHFFFAOYSA-N 0 3 469.555 6.239 1 0 JKAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCC(N3CCN(c4cc(F)cc(C(F)(F)F)c4)C3=O)CC1)=CC2 ZINC000028957144 563088427 /nfs/dbraw/zinc/08/84/27/563088427.db2.gz VGKWHTUGPLDPNK-JTSKRJEESA-N 0 3 465.535 5.543 1 0 JKAFHN CCC(CC)n1cc2c3c1cc(C)nc3N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2 ZINC000028958631 563088678 /nfs/dbraw/zinc/08/86/78/563088678.db2.gz VDSMSJWLEJGXKA-UHFFFAOYSA-N 0 3 455.446 7.438 1 0 JKAFHN COc1ccc(CN2CCCC[C@@H]2CCOc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 ZINC000028960858 563088937 /nfs/dbraw/zinc/08/89/37/563088937.db2.gz SCJZQQQHAFLNNH-HSZRJFAPSA-N 0 3 484.600 5.161 1 0 JKAFHN NC(=O)c1ccc2[nH]c(-c3ccc(OCC[C@@H]4CCCCN4Cc4ccc(Cl)cc4)cc3)nc2c1 ZINC000028960872 563088995 /nfs/dbraw/zinc/08/89/95/563088995.db2.gz OLGDSVAGYXUQFQ-QHCPKHFHSA-N 0 3 489.019 5.806 1 0 JKAFHN NC(=O)c1ccc2[nH]c(-c3ccc(OCCC4CCN(Cc5ccc(Cl)cc5)CC4)cc3)nc2c1 ZINC000028960919 563089062 /nfs/dbraw/zinc/08/90/62/563089062.db2.gz SKXACUZBJSCLOS-UHFFFAOYSA-N 0 3 489.019 5.663 1 0 JKAFHN CN(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCc2c(F)cccc2F)n1 ZINC000028963648 563089204 /nfs/dbraw/zinc/08/92/04/563089204.db2.gz ZWUZOXXCKDFNPP-UHFFFAOYSA-N 0 3 488.517 5.549 1 0 JKAFHN CCNC(=O)c1noc(-c2cc(-c3ccccc3)c(O)cc2[O-])c1-c1ccc(C[NH+](CC)CC)cc1 ZINC000028966187 563089391 /nfs/dbraw/zinc/08/93/91/563089391.db2.gz YAYJACNPYWHUDS-UHFFFAOYSA-N 0 3 485.584 5.678 1 0 JKAFHN Cc1cccnc1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 ZINC000029040893 563091530 /nfs/dbraw/zinc/09/15/30/563091530.db2.gz KFPNMAHHOBQVHI-UHFFFAOYSA-N 0 3 469.633 5.082 1 0 JKAFHN O=C1[N-]C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3ccc4[nH]ccc4c3)ccc21 ZINC000029048570 563092660 /nfs/dbraw/zinc/09/26/60/563092660.db2.gz MTWRGQNBACFUJM-IMRQLAEWSA-N 0 3 491.595 5.620 1 0 JKAFHN O=C1[N-]C(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(Nc3cccc(F)c3)ccc21 ZINC000029048865 563092757 /nfs/dbraw/zinc/09/27/57/563092757.db2.gz KQRDIRBYBYKEFD-ONUIUJJFSA-N 0 3 470.548 5.278 1 0 JKAFHN CC[C@@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2c1cc(F)cc2Cl ZINC000029052542 563093077 /nfs/dbraw/zinc/09/30/77/563093077.db2.gz KNEUZAWRNQLRCJ-DEOSSOPVSA-N 0 3 464.412 5.725 1 0 JKAFHN CC[C@]1(CCCCN2CCN(c3cccc(Cl)c3)CC2)c2cc(Cl)cc(Cl)c2NC1=O ZINC000029052514 563093123 /nfs/dbraw/zinc/09/31/23/563093123.db2.gz VNLFLMFHMDJXGU-DEOSSOPVSA-N 0 3 480.867 6.239 1 0 JKAFHN CC[C@@]1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)c(Cl)cc21 ZINC000029055337 563093528 /nfs/dbraw/zinc/09/35/28/563093528.db2.gz UGUFLBWATQHHEI-DEOSSOPVSA-N 0 3 464.412 5.725 1 0 JKAFHN CC[C@]1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2c1cc(F)cc2Cl ZINC000029055350 563093616 /nfs/dbraw/zinc/09/36/16/563093616.db2.gz YSUCDXCEMDVJIT-XMMPIXPASA-N 0 3 464.412 5.725 1 0 JKAFHN Cn1c2cc(CCCC[NH+](C)C)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)[N-]C1=O ZINC000029126893 563095298 /nfs/dbraw/zinc/09/52/98/563095298.db2.gz ZFKVTUWRIGGMCQ-UHFFFAOYSA-N 0 3 475.976 5.125 1 0 JKAFHN COc1c(C)c(CN(CCNc2ccnc3cc(Cl)ccc32)C(C)C)c(OC)c2ccccc21 ZINC000029135361 563098095 /nfs/dbraw/zinc/09/80/95/563098095.db2.gz VUMHETGJSVJZAL-UHFFFAOYSA-N 0 3 478.036 6.690 1 0 JKAFHN COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN(C)C)cc4)cc3)o2)n1 ZINC000029136084 563098100 /nfs/dbraw/zinc/09/81/00/563098100.db2.gz OQZTUXXMTHYBAE-UHFFFAOYSA-N 0 3 469.541 5.067 1 0 JKAFHN O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCNC[C@H]3c3ccccn3)cc12 ZINC000029322308 563100254 /nfs/dbraw/zinc/10/02/54/563100254.db2.gz FOTDOIGKSDTJRO-MHZLTWQESA-N 0 3 483.612 5.441 1 0 JKAFHN COc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000029473217 563104741 /nfs/dbraw/zinc/10/47/41/563104741.db2.gz XLAIOBJEIUDSNM-UHFFFAOYSA-N 0 3 480.008 5.361 1 0 JKAFHN COc1ccc(CN[C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)Cc2ccccc2)cc1 ZINC000029488699 563105755 /nfs/dbraw/zinc/10/57/55/563105755.db2.gz XUBAXMPEYOGPIH-RUZDIDTESA-N 0 3 473.661 6.465 1 0 JKAFHN O=C(CCCN1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000029554491 563106589 /nfs/dbraw/zinc/10/65/89/563106589.db2.gz VUIYAEMBKPDJIU-UHFFFAOYSA-N 0 3 470.592 5.763 1 0 JKAFHN COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1OC ZINC000029558074 563106845 /nfs/dbraw/zinc/10/68/45/563106845.db2.gz WJBNFOHHROQQJC-UHFFFAOYSA-N 0 3 470.617 5.221 1 0 JKAFHN CN(c1nc2ccccc2n1Cc1ccccc1Cl)C1CCN(CCc2ccccc2)CC1 ZINC000029562379 563107143 /nfs/dbraw/zinc/10/71/43/563107143.db2.gz WSNVHHBUJUVNFB-UHFFFAOYSA-N 0 3 459.037 5.881 1 0 JKAFHN CCCN(c1nc2ccccc2n1Cc1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000029563740 563107175 /nfs/dbraw/zinc/10/71/75/563107175.db2.gz PTHBLNRGAPRTKU-UHFFFAOYSA-N 0 3 452.646 6.008 1 0 JKAFHN Brc1ccc(Cn2c3ccccc3nc2NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000029566712 563107478 /nfs/dbraw/zinc/10/74/78/563107478.db2.gz WCOBFGJLRUNGSJ-UHFFFAOYSA-N 0 3 489.461 5.966 1 0 JKAFHN COc1ccc2c(c1)OC(C)(C)C(c1ccc(Cl)cc1)=C2c1ccc(OCCN2CCCC2)cc1 ZINC000033827358 563110971 /nfs/dbraw/zinc/11/09/71/563110971.db2.gz SWIVUOPIPYDSKP-UHFFFAOYSA-N 0 3 490.043 6.953 1 0 JKAFHN c1ccc(CCN(Cc2ccc(CNCc3ccccn3)cc2)[C@@H]2CCCc3cccnc32)nc1 ZINC000033974908 563111460 /nfs/dbraw/zinc/11/14/60/563111460.db2.gz MXYQOQASCBNUDZ-GDLZYMKVSA-N 0 3 463.629 5.284 1 0 JKAFHN Cc1c2cc(O)ccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1-c1cccc(O)c1 ZINC000033999590 563111622 /nfs/dbraw/zinc/11/16/22/563111622.db2.gz GRNXCSPNKRKBIG-UHFFFAOYSA-N 0 3 456.586 5.941 1 0 JKAFHN CN1CCN(c2ccnc3ccc(NC(=O)Cc4ccc(-c5ccncc5)c5ccccc45)cc32)CC1 ZINC000034025478 563111794 /nfs/dbraw/zinc/11/17/94/563111794.db2.gz SQLHLGQQKSPFPN-UHFFFAOYSA-N 0 3 487.607 5.383 1 0 JKAFHN CC(C)(C)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000034289869 563112883 /nfs/dbraw/zinc/11/28/83/563112883.db2.gz KELLXLMFMKOEDM-UHFFFAOYSA-N 0 3 493.638 6.679 1 0 JKAFHN CCN1CCC[C@@H]1CNC(=O)c1c(OCc2ccccc2)ccc(OCc2ccccc2)c1OC ZINC000034343082 563113247 /nfs/dbraw/zinc/11/32/47/563113247.db2.gz UCSPRWCFKNGDEC-XMMPIXPASA-N 0 3 474.601 5.067 1 0 JKAFHN Cc1c2cc(O)ccc2n(Cc2ccc(OCCN3CCCCC3)cc2)c1-c1ccc(F)cc1 ZINC000034356575 563113264 /nfs/dbraw/zinc/11/32/64/563113264.db2.gz SAGDOTDHTDEEJO-UHFFFAOYSA-N 0 3 458.577 6.374 1 0 JKAFHN C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn32)n1)c1ccccc1 ZINC000034357217 563113293 /nfs/dbraw/zinc/11/32/93/563113293.db2.gz VPZSMAJTUGVZFW-IBGZPJMESA-N 0 3 466.564 5.832 1 0 JKAFHN COc1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3ccc([O-])c(NC=O)c3)cc2)cc1-c1ccccc1 ZINC000034379665 563113594 /nfs/dbraw/zinc/11/35/94/563113594.db2.gz PZCSJBQJENRLHD-LJAQVGFWSA-N 0 3 497.595 5.245 1 0 JKAFHN Cc1ccc(/C=C2\CSC[C@H]3C2=NN(CCCN2CCN(C)CC2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000034588900 563113985 /nfs/dbraw/zinc/11/39/85/563113985.db2.gz YWGAQRBVSIMYTD-PYVZUZAWSA-N 0 3 474.718 5.100 1 0 JKAFHN C[C@H]1CN2CCN(Cc3cccc(OCc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075225 563118786 /nfs/dbraw/zinc/11/87/86/563118786.db2.gz XPFJOAHKMCTTBB-NTGKZJMKSA-N 0 3 456.630 5.455 1 0 JKAFHN Cc1cccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)Nc2cccc(F)c2)c1 ZINC000035872641 563120900 /nfs/dbraw/zinc/12/09/00/563120900.db2.gz DLYZTARPCXSNNB-UHFFFAOYSA-N 0 3 476.552 5.396 1 0 JKAFHN Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)Nc2cccc(F)c2)cc1C ZINC000035903646 563121174 /nfs/dbraw/zinc/12/11/74/563121174.db2.gz YZVSFYVDNCWGEI-UHFFFAOYSA-N 0 3 490.579 5.704 1 0 JKAFHN c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NC[C@@H]4CCCO4)c32)cc1 ZINC000035903319 563121236 /nfs/dbraw/zinc/12/12/36/563121236.db2.gz XXAHEYLYVXIYBY-DEOSSOPVSA-N 0 3 483.616 5.357 1 0 JKAFHN O=C(Nc1cccc2ccccc21)O[C@@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000035985099 563121698 /nfs/dbraw/zinc/12/16/98/563121698.db2.gz GWISHPBAFMUVHK-XZWHSSHBSA-N 0 3 462.593 6.683 1 0 JKAFHN CCN(CCO)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc([C@@H](C)c2ccccc2)n1 ZINC000036161125 563123032 /nfs/dbraw/zinc/12/30/32/563123032.db2.gz PCCWAATWIVPODZ-NRFANRHFSA-N 0 3 495.602 5.563 1 0 JKAFHN O=C(/C=C/c1ccccc1)NCCCCN1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000036177561 563123406 /nfs/dbraw/zinc/12/34/06/563123406.db2.gz OOOXTGVDXLYZMW-FMIVXFBMSA-N 0 3 489.447 5.143 1 0 JKAFHN CN(C)Cc1cnc2c(cccc2Cn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)c1 ZINC000036270588 563125152 /nfs/dbraw/zinc/12/51/52/563125152.db2.gz CBKMKLAHBXYTHL-UHFFFAOYSA-N 0 3 460.990 5.437 1 0 JKAFHN COc1cccc(C[C@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H](N)CC(C)C)CC2)c1 ZINC000036285708 563125243 /nfs/dbraw/zinc/12/52/43/563125243.db2.gz OTSUHPKAIYGTIX-CYFREDJKSA-N 0 3 491.598 5.287 1 0 JKAFHN CC(C)C[C@H](N)c1cccc(F)c1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285520 563125319 /nfs/dbraw/zinc/12/53/19/563125319.db2.gz VIFYVTWZHBRVAT-QFIPXVFZSA-N 0 3 466.428 5.460 1 0 JKAFHN COc1cc(Cl)ccc1C[C@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](N)CC(C)C)CC1 ZINC000036285879 563125421 /nfs/dbraw/zinc/12/54/21/563125421.db2.gz XQRMVGKJRPGNEB-MBSDFSHPSA-N 0 3 492.491 5.575 1 0 JKAFHN CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000036285918 563125425 /nfs/dbraw/zinc/12/54/25/563125425.db2.gz JIOABRUCZKTZQV-JPYJTQIMSA-N 0 3 496.017 5.932 1 0 JKAFHN CN(C)[C@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(OC(F)(F)F)cc5)ccc4c3=O)cn2)C1 ZINC000036351533 563126848 /nfs/dbraw/zinc/12/68/48/563126848.db2.gz XYQYXLDNDZGLOY-FQEVSTJZSA-N 0 3 495.501 5.561 1 0 JKAFHN CN(C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(Br)cc5)ccc4c3=O)cn2)C1 ZINC000036351618 563126953 /nfs/dbraw/zinc/12/69/53/563126953.db2.gz WVSHVBGLHZFHAA-OAQYLSRUSA-N 0 3 490.401 5.425 1 0 JKAFHN CN(C)[C@H]1CCN(c2ccc(-c3cn(C)c4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1 ZINC000036351539 563127005 /nfs/dbraw/zinc/12/70/05/563127005.db2.gz HJIIGHOMSAWNSK-QFIPXVFZSA-N 0 3 458.993 5.061 1 0 JKAFHN CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(I)cc3)ccc2n1 ZINC000036351850 563127059 /nfs/dbraw/zinc/12/70/59/563127059.db2.gz BEHNOQZKDVPNIB-IZZDOVSWSA-N 0 3 457.315 5.026 1 0 JKAFHN Cc1ccc(Oc2ccc(C(=O)NCCN3CCCC3)cc2NC(=O)/C=C/c2ccccc2)cc1C ZINC000036351799 563127061 /nfs/dbraw/zinc/12/70/61/563127061.db2.gz NERZZHAUEVWREN-RVDMUPIBSA-N 0 3 483.612 5.573 1 0 JKAFHN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NC[C@H](CN1CCCC1)O2 ZINC000038149716 563132198 /nfs/dbraw/zinc/13/21/98/563132198.db2.gz HYJDZUVIJDAGNE-LJQANCHMSA-N 0 3 479.005 5.036 1 0 JKAFHN COc1ccccc1NC(=S)N[C@@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000038255022 563133591 /nfs/dbraw/zinc/13/35/91/563133591.db2.gz PVIGSSNGUGUCED-SXOMAYOGSA-N 0 3 457.643 5.277 1 0 JKAFHN CC(=O)N1CCc2ccc(N(C(=O)[C@H]3C[C@@H]3c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21 ZINC000038348534 563133961 /nfs/dbraw/zinc/13/39/61/563133961.db2.gz MJNIGBVBXCIUSS-IHLOFXLRSA-N 0 3 493.651 5.397 1 0 JKAFHN CCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000038403452 563134380 /nfs/dbraw/zinc/13/43/80/563134380.db2.gz FPSWKOLYNPXXEK-UHFFFAOYSA-N 0 3 488.985 6.787 1 0 JKAFHN CCCc1cc(N2CCCCC2)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 ZINC000038481041 563134860 /nfs/dbraw/zinc/13/48/60/563134860.db2.gz AMQCCJITDXPYII-NTEUORMPSA-N 0 3 467.535 6.848 1 0 JKAFHN COc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21 ZINC000038516295 563134951 /nfs/dbraw/zinc/13/49/51/563134951.db2.gz MEGWHNJGIHFDSO-WJOKGBTCSA-N 0 3 499.607 6.093 1 0 in-vivo JKAFHN CC(=O)Nc1ccc2c(c1)c1ccccc1n2CCCCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000040380334 563137585 /nfs/dbraw/zinc/13/75/85/563137585.db2.gz CLJBDYKQQFMLFJ-FMIVXFBMSA-N 0 3 480.656 5.864 1 0 JKAFHN COc1ccc2c(c1)[C@@H](c1ccccc1NCCOc1ccccc1)N(CCOc1ccccc1)CC2 ZINC000040395320 563139085 /nfs/dbraw/zinc/13/90/85/563139085.db2.gz IBKUJZUCCQVILG-JGCGQSQUSA-N 0 3 494.635 6.213 1 0 JKAFHN O=C(NC1CCC1)c1ccc(F)c2c1C[C@@H](N(CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040412222 563140985 /nfs/dbraw/zinc/14/09/85/563140985.db2.gz OXCODUCJRWQMNC-JOCHJYFZSA-N 0 3 493.598 5.519 1 0 in-vitro JKAFHN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCCN1CCCC1 ZINC000040422822 563141964 /nfs/dbraw/zinc/14/19/64/563141964.db2.gz GDFGAZNVFAOQJA-QFIPXVFZSA-N 0 3 482.637 6.261 1 0 JKAFHN CC(=O)c1cccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000040504834 563144821 /nfs/dbraw/zinc/14/48/21/563144821.db2.gz ADFDHMQOTOSLAU-UHFFFAOYSA-N 0 3 479.567 5.584 1 0 JKAFHN COc1cc(C(C)=O)ccc1OCCCN1CCC(C(OC)(c2ccccc2)c2ccccc2)CC1 ZINC000040505334 563144891 /nfs/dbraw/zinc/14/48/91/563144891.db2.gz SBZRHFJUNFKWPT-UHFFFAOYSA-N 0 3 487.640 5.969 1 0 JKAFHN COc1ccc(N2CC[C@@](C)(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000040567506 563146089 /nfs/dbraw/zinc/14/60/89/563146089.db2.gz OYIQCZLWRTXCFS-VWLOTQADSA-N 0 3 477.432 5.561 1 0 JKAFHN CN(C)C[C@H](c1nnc2n1-c1ccc(Cl)cc1C(c1ccc(Cl)cc1)=NC2)c1ccccc1 ZINC000040631820 563147054 /nfs/dbraw/zinc/14/70/54/563147054.db2.gz GWYDEOABFYTUNS-QFIPXVFZSA-N 0 3 476.411 5.619 1 0 JKAFHN CCOc1ccccc1OCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040640936 563147280 /nfs/dbraw/zinc/14/72/80/563147280.db2.gz DZSMSDRMGXOFCD-UHFFFAOYSA-N 0 3 481.583 5.781 1 0 JKAFHN CC(C)Oc1ccccc1OCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040640848 563147323 /nfs/dbraw/zinc/14/73/23/563147323.db2.gz GXHBETZOPIJVJL-UHFFFAOYSA-N 0 3 495.610 6.169 1 0 JKAFHN COc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCC(C)(C)CC1 ZINC000040763337 563147965 /nfs/dbraw/zinc/14/79/65/563147965.db2.gz PSFCSJFDOABCBI-UHFFFAOYSA-N 0 3 489.443 5.933 1 0 JKAFHN CC(=O)Nc1ccc(N2CC[C@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1 ZINC000040764300 563148238 /nfs/dbraw/zinc/14/82/38/563148238.db2.gz DNTAGIKAURJNKZ-HXUWFJFHSA-N 0 3 490.431 5.337 1 0 JKAFHN COc1cc2c(cc1OCc1ccccc1)[C@H](Cc1ccc(OCc3ccccc3)cc1)N(C)CC2 ZINC000040835225 563148948 /nfs/dbraw/zinc/14/89/48/563148948.db2.gz HZBGXMAYXSMTBE-PMERELPUSA-N 0 3 479.620 6.625 1 0 JKAFHN CN(C)CCCOc1ccc2c(=O)cc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)oc2c1 ZINC000040846180 563149296 /nfs/dbraw/zinc/14/92/96/563149296.db2.gz WLQPTJAUOBNGLK-UHFFFAOYSA-N 0 3 451.607 6.091 1 0 JKAFHN CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4cccc(C)c4[nH]3)c3ccccc23)n1 ZINC000040848285 563149612 /nfs/dbraw/zinc/14/96/12/563149612.db2.gz NMQGVPMNRSWCJZ-UHFFFAOYSA-N 0 3 473.540 6.454 1 0 JKAFHN C[NH+](C)CCCn1c2ccc(O)cc2c2c1cc(-c1c(Cl)cccc1Cl)c1c2C(=O)[N-]C1=O ZINC000040860518 563149921 /nfs/dbraw/zinc/14/99/21/563149921.db2.gz AXNSXRSJHQNIGS-UHFFFAOYSA-N 0 3 482.367 5.309 1 0 JKAFHN CCN(C(=O)c1ccc(Cl)cc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040863481 563150551 /nfs/dbraw/zinc/15/05/51/563150551.db2.gz LDNUDNVKCRWGIH-ZBLYBZFDSA-N 0 3 496.095 5.703 1 0 JKAFHN NC(=O)C1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040891508 563153024 /nfs/dbraw/zinc/15/30/24/563153024.db2.gz QWSHRMLHRIRDFK-NNJHRLFQSA-N 0 3 499.869 6.786 1 0 JKAFHN O=C(Nc1ccc2c(c1)C[C@H](NCc1ccccn1)C2)c1ccccc1-c1ccc(Cl)cc1 ZINC000040898421 563154270 /nfs/dbraw/zinc/15/42/70/563154270.db2.gz BWKLXPHCBYUBIF-RUZDIDTESA-N 0 3 453.973 5.911 1 0 JKAFHN O=C1N(CC2CCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 ZINC000040914853 563155369 /nfs/dbraw/zinc/15/53/69/563155369.db2.gz PBWMYCSTSQYNFL-UHFFFAOYSA-N 0 3 465.641 5.717 1 0 JKAFHN Cc1cc(NC(=O)c2cccc(CN(C)C)c2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040933762 563156943 /nfs/dbraw/zinc/15/69/43/563156943.db2.gz DXLPFBMLVQJLKW-UHFFFAOYSA-N 0 3 455.002 5.242 1 0 JKAFHN COc1cccc(-c2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)[N-]C3=O)c1 ZINC000040938284 563158411 /nfs/dbraw/zinc/15/84/11/563158411.db2.gz SSIGALOOWMAALO-IMRQLAEWSA-N 0 3 467.569 5.071 1 0 JKAFHN COc1cccc(/C=C/CN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)c1 ZINC000040975953 563162048 /nfs/dbraw/zinc/16/20/48/563162048.db2.gz MDPXMFPBVBPNDQ-PKNBQFBNSA-N 0 3 453.630 5.914 1 0 JKAFHN C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccccc1 ZINC000042965953 563163846 /nfs/dbraw/zinc/16/38/46/563163846.db2.gz FILSLSBYZHHHLD-OAQYLSRUSA-N 0 3 456.586 5.361 1 0 JKAFHN COc1ccccc1[C@@H](C)NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000043060614 563165730 /nfs/dbraw/zinc/16/57/30/563165730.db2.gz GQWJWDKAHSMNGK-OAQYLSRUSA-N 0 3 486.612 5.370 1 0 JKAFHN CC(C)(C)c1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)s3)CC2)cc1 ZINC000045167104 563173056 /nfs/dbraw/zinc/17/30/56/563173056.db2.gz MZBLKZAATPOASR-UHFFFAOYSA-N 0 3 450.623 6.246 1 0 JKAFHN CC(C)(C)c1ccc(CN2CC[C@@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045167441 563173140 /nfs/dbraw/zinc/17/31/40/563173140.db2.gz VXBKAENMPJQXCU-FQEVSTJZSA-N 0 3 450.623 6.104 1 0 JKAFHN Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)cc2)c1 ZINC000045167344 563173176 /nfs/dbraw/zinc/17/31/76/563173176.db2.gz SFPVCDGSTXZMDG-UHFFFAOYSA-N 0 3 498.630 7.767 1 0 JKAFHN Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)cc3)cc2)c1 ZINC000045167344 563173177 /nfs/dbraw/zinc/17/31/77/563173177.db2.gz SFPVCDGSTXZMDG-UHFFFAOYSA-N 0 3 498.630 7.767 1 0 JKAFHN CCCC[C@@H](O)c1cc(O)c2c(c1)OC(C)(C)C[C@H]2C1=CCN(Cc2ccc3ccccc3c2)CC1 ZINC000045168432 563173714 /nfs/dbraw/zinc/17/37/14/563173714.db2.gz AMLMFZFYSYRFNX-WUFINQPMSA-N 0 3 485.668 7.246 1 0 JKAFHN Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)[C@@H](C)CN5CCN(C)CC5)c4)cc3)nc21 ZINC000045168673 563173826 /nfs/dbraw/zinc/17/38/26/563173826.db2.gz HLFQYDXHINYQLB-NRFANRHFSA-N 0 3 467.617 5.027 1 0 JKAFHN Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)[C@@H](C)CN5CCN(C)CC5)c4)cc3)[nH]c21 ZINC000045168673 563173827 /nfs/dbraw/zinc/17/38/27/563173827.db2.gz HLFQYDXHINYQLB-NRFANRHFSA-N 0 3 467.617 5.027 1 0 JKAFHN CC(C)(C)c1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 ZINC000045168852 563173885 /nfs/dbraw/zinc/17/38/85/563173885.db2.gz FNUBIXIKDLRKFX-HXUWFJFHSA-N 0 3 450.623 6.104 1 0 JKAFHN CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)Nc1ccc(NCCN(C)C)nc1 ZINC000045186740 563174147 /nfs/dbraw/zinc/17/41/47/563174147.db2.gz MCUFVNMEOGSOCJ-LXMZQHMWSA-N 0 3 474.392 5.025 1 0 JKAFHN CN(C)CCOc1cc(NC(=O)Nc2ccc(-c3ccncc3)c(C(F)(F)F)c2)ccc1Cl ZINC000045187551 563174498 /nfs/dbraw/zinc/17/44/98/563174498.db2.gz FQIOZODURYIIAR-UHFFFAOYSA-N 0 3 478.902 6.005 1 0 JKAFHN CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3ccc(N4CCN(C)CC4)nc3[nH]2)cs1 ZINC000045187984 563174622 /nfs/dbraw/zinc/17/46/22/563174622.db2.gz GCHRMHIQUSPFSJ-UHFFFAOYSA-N 0 3 497.068 5.112 1 0 JKAFHN O=C(c1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1)N1CCCC[C@@H]1CN1CC[C@H](O)C1 ZINC000045188086 563174715 /nfs/dbraw/zinc/17/47/15/563174715.db2.gz RFMJUAGNJATGQS-FTJBHMTQSA-N 0 3 498.602 5.097 1 0 JKAFHN Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)c1 ZINC000045188802 563174972 /nfs/dbraw/zinc/17/49/72/563174972.db2.gz WCWCDWUYVFFVHT-UHFFFAOYSA-N 0 3 484.603 7.459 1 0 JKAFHN CCCc1ccc(NC(=O)c2cccc(CN3CCCN(Cc4cccc(O)c4)CC3)c2)cc1 ZINC000045190191 563175569 /nfs/dbraw/zinc/17/55/69/563175569.db2.gz QOJWOMMLDRHXEA-UHFFFAOYSA-N 0 3 457.618 5.305 1 0 JKAFHN O=S(=O)([N-]c1cccc(CCN2CCCC[C@H]2CC[NH+]2CCCC2)c1)c1cccc2ccccc21 ZINC000045190501 563175598 /nfs/dbraw/zinc/17/55/98/563175598.db2.gz BUDJFHXEVXTTSN-MHZLTWQESA-N 0 3 491.701 5.524 1 0 JKAFHN O=S(=O)([N-]c1cccc(CC[N@@H+]2CCCC[C@H]2CCN2CCCC2)c1)c1cccc2ccccc21 ZINC000045190501 563175600 /nfs/dbraw/zinc/17/56/00/563175600.db2.gz BUDJFHXEVXTTSN-MHZLTWQESA-N 0 3 491.701 5.524 1 0 JKAFHN O=S(=O)([N-]c1cccc(CC[N@H+]2CCCC[C@H]2CCN2CCCC2)c1)c1cccc2ccccc21 ZINC000045190501 563175602 /nfs/dbraw/zinc/17/56/02/563175602.db2.gz BUDJFHXEVXTTSN-MHZLTWQESA-N 0 3 491.701 5.524 1 0 JKAFHN O=C(NC[C@@H]1CCN(Cc2ccsc2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045191787 563176002 /nfs/dbraw/zinc/17/60/02/563176002.db2.gz RBSWAYQGVZHXTI-HNNXBMFYSA-N 0 3 450.551 5.747 1 0 JKAFHN NC(=O)C1CCN(Cc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)CC1 ZINC000045192168 563176178 /nfs/dbraw/zinc/17/61/78/563176178.db2.gz JWEKCRWPBWJKQA-UHFFFAOYSA-N 0 3 484.547 5.675 1 0 JKAFHN FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccc(CNC[C@H]5CCCO5)cc4)c3)nc2c1 ZINC000045192645 563176360 /nfs/dbraw/zinc/17/63/60/563176360.db2.gz BEJXPNYKKQWVMB-JOCHJYFZSA-N 0 3 451.492 6.184 1 0 JKAFHN FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccc(CNC[C@@H]5CCCO5)cc4)c3)nc2c1 ZINC000045192640 563176390 /nfs/dbraw/zinc/17/63/90/563176390.db2.gz BEJXPNYKKQWVMB-QFIPXVFZSA-N 0 3 451.492 6.184 1 0 JKAFHN O=C(c1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1)N1CCCC[C@@H]1CN1CC[C@H](O)C1 ZINC000045193001 563176554 /nfs/dbraw/zinc/17/65/54/563176554.db2.gz OIVXNPONLVMQKN-FTJBHMTQSA-N 0 3 498.602 5.097 1 0 JKAFHN COC(=O)c1cccc(CNCc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)c2)c1 ZINC000045193761 563176787 /nfs/dbraw/zinc/17/67/87/563176787.db2.gz PESPKCQFOBSNAD-UHFFFAOYSA-N 0 3 467.594 6.343 1 0 JKAFHN COC(=O)c1cccc(CNCc2cccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)s3)c2)c1 ZINC000045193761 563176788 /nfs/dbraw/zinc/17/67/88/563176788.db2.gz PESPKCQFOBSNAD-UHFFFAOYSA-N 0 3 467.594 6.343 1 0 JKAFHN c1cc(-c2ccc(CN3CCN(c4ccncc4)CC3)cc2)sc1-c1nc2ccccc2[nH]1 ZINC000045193854 563176867 /nfs/dbraw/zinc/17/68/67/563176867.db2.gz JTUBYORNMKLARP-UHFFFAOYSA-N 0 3 451.599 5.676 1 0 JKAFHN CN1CCC(C(=O)Nc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)CC1 ZINC000045194107 563176913 /nfs/dbraw/zinc/17/69/13/563176913.db2.gz XXEUPJCVDKHMOZ-UHFFFAOYSA-N 0 3 478.518 6.196 1 0 JKAFHN CN(C)CCOc1ccc(NC(=O)Nc2ccnc3c(Br)cccc23)cc1Cl ZINC000045193924 563176919 /nfs/dbraw/zinc/17/69/19/563176919.db2.gz MIMPZJLLDWMYIL-UHFFFAOYSA-N 0 3 463.763 5.235 1 0 JKAFHN COC(=O)c1cccc(CNCc2cccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)c2)c1 ZINC000045194853 563177334 /nfs/dbraw/zinc/17/73/34/563177334.db2.gz ZBHLENRVGGJKQN-UHFFFAOYSA-N 0 3 461.565 6.282 1 0 JKAFHN COC(=O)c1cccc(CNCc2cccc(-c3cccc(-c4nc5cccc(C)c5[nH]4)c3)c2)c1 ZINC000045194853 563177337 /nfs/dbraw/zinc/17/73/37/563177337.db2.gz ZBHLENRVGGJKQN-UHFFFAOYSA-N 0 3 461.565 6.282 1 0 JKAFHN CC(C)(C)c1ccc(CN2CCC(NC(=O)c3ccc(-c4ccccc4F)s3)CC2)cc1 ZINC000045195583 563177570 /nfs/dbraw/zinc/17/75/70/563177570.db2.gz KYLKOLXMFZQQKJ-UHFFFAOYSA-N 0 3 450.623 6.246 1 0 JKAFHN CN(C)CCNCc1nc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)cs1 ZINC000045195560 563177628 /nfs/dbraw/zinc/17/76/28/563177628.db2.gz NTWRAXLZWRNEJP-UHFFFAOYSA-N 0 3 495.652 6.545 1 0 JKAFHN CC(C)(C)c1ccc(NC(=O)c2ccc(CN3CCCN(Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000045201740 563178353 /nfs/dbraw/zinc/17/83/53/563178353.db2.gz AHYMYFIKQULFPC-UHFFFAOYSA-N 0 3 473.636 6.083 1 0 JKAFHN CN(C)c1ccc(-c2ccc(C(=O)NC3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)s2)cc1 ZINC000045202003 563178477 /nfs/dbraw/zinc/17/84/77/563178477.db2.gz LPLOMDJWMANCKU-UHFFFAOYSA-N 0 3 475.702 6.173 1 0 JKAFHN C[N@H+](Cc1ccncc1)[C@@H](Cc1ccccc1)C1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000045202337 563178697 /nfs/dbraw/zinc/17/86/97/563178697.db2.gz ZNRYLXQDUNYDAC-SANMLTNESA-N 0 3 450.026 5.396 1 0 JKAFHN C[N@@H+](Cc1ccncc1)[C@@H](Cc1ccccc1)C1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000045202337 563178698 /nfs/dbraw/zinc/17/86/98/563178698.db2.gz ZNRYLXQDUNYDAC-SANMLTNESA-N 0 3 450.026 5.396 1 0 JKAFHN CN(C)CCOc1cc(NC(=O)/C=C/c2cccc3ccccc23)ccc1I ZINC000045202734 563179026 /nfs/dbraw/zinc/17/90/26/563179026.db2.gz QEBPIVMIRHKVAY-JLHYYAGUSA-N 0 3 486.353 5.037 1 0 JKAFHN Cc1cc2nc(-c3ccc(/C=C/C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)[nH]c2cc1C ZINC000045202957 563179089 /nfs/dbraw/zinc/17/90/89/563179089.db2.gz FPOURSOAOPHXCM-JLHYYAGUSA-N 0 3 464.613 5.641 1 0 JKAFHN COC(=O)c1cccc(CNCc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)c1 ZINC000045203021 563179116 /nfs/dbraw/zinc/17/91/16/563179116.db2.gz NBTAITJPFCBLMH-UHFFFAOYSA-N 0 3 465.528 6.112 1 0 JKAFHN Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000045209681 563179257 /nfs/dbraw/zinc/17/92/57/563179257.db2.gz VSYHJVFIYYRKRA-UHFFFAOYSA-N 0 3 492.545 5.952 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccc(O)cc3)CC2)c1)c1cccc(C(F)(F)F)c1 ZINC000045210762 563179517 /nfs/dbraw/zinc/17/95/17/563179517.db2.gz FWDDYLXKBHKLLW-UHFFFAOYSA-N 0 3 483.534 5.371 1 0 JKAFHN CS(=O)(=O)c1ccc(CNCc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)cc1 ZINC000045227068 563179903 /nfs/dbraw/zinc/17/99/03/563179903.db2.gz ITNGXVHNCHUADR-UHFFFAOYSA-N 0 3 467.594 5.590 1 0 JKAFHN Cc1cc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@H](C)N(C)[C@@H](C)C5)cc34)cc2C)cc(C)n1 ZINC000045227136 563179937 /nfs/dbraw/zinc/17/99/37/563179937.db2.gz MBYXZTHDGYFIBC-VXKWHMMOSA-N 0 3 482.628 6.201 1 0 JKAFHN O=C(NC[C@H]1CCN(Cc2ccc(F)cc2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045227586 563180125 /nfs/dbraw/zinc/18/01/25/563180125.db2.gz QJUURZMUQZPDCO-QGZVFWFLSA-N 0 3 462.512 5.825 1 0 JKAFHN COC(=O)c1cccc(CNCc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)cc2)c1 ZINC000045227993 563180311 /nfs/dbraw/zinc/18/03/11/563180311.db2.gz FHJOAXOVTFQACH-UHFFFAOYSA-N 0 3 467.594 6.343 1 0 JKAFHN COC(=O)c1cccc(CNCc2ccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)s3)cc2)c1 ZINC000045227993 563180313 /nfs/dbraw/zinc/18/03/13/563180313.db2.gz FHJOAXOVTFQACH-UHFFFAOYSA-N 0 3 467.594 6.343 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccc(O)cc3)CC2)c1)c1cc2ccccc2s1 ZINC000045228555 563180426 /nfs/dbraw/zinc/18/04/26/563180426.db2.gz LMGUUGOBEYRKOJ-UHFFFAOYSA-N 0 3 471.626 5.567 1 0 JKAFHN O=C(c1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1)N1CCCC[C@@H]1CN1CC[C@H](O)C1 ZINC000045229608 563180778 /nfs/dbraw/zinc/18/07/78/563180778.db2.gz XSKSEXCNQSYOFN-FTJBHMTQSA-N 0 3 498.602 5.097 1 0 JKAFHN CC(C)(C)c1ccc(NC(=O)c2cccc(CN3CCCN(Cc4cccc(Cl)c4)CC3)c2)cc1 ZINC000045229540 563180809 /nfs/dbraw/zinc/18/08/09/563180809.db2.gz YBIKJLBJHSUSBA-UHFFFAOYSA-N 0 3 490.091 6.598 1 0 JKAFHN Cc1cc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000045229683 563181002 /nfs/dbraw/zinc/18/10/02/563181002.db2.gz HHRIDABICASBSD-UHFFFAOYSA-N 0 3 493.055 5.223 1 0 JKAFHN Cc1ccc2c(c1)nc(N1CCNC(C)(C)C1)nc2NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000045254503 563182406 /nfs/dbraw/zinc/18/24/06/563182406.db2.gz YMPDOPQOELVBID-UHFFFAOYSA-N 0 3 498.606 5.130 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3ccco3)CC2)cc1 ZINC000045258087 563182881 /nfs/dbraw/zinc/18/28/81/563182881.db2.gz IPEKTECOTLVVQL-UHFFFAOYSA-N 0 3 461.606 5.312 1 0 JKAFHN CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)OC)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045301103 563185693 /nfs/dbraw/zinc/18/56/93/563185693.db2.gz KFKUBCFGBPRMGS-UHFFFAOYSA-N 0 3 499.655 5.758 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccc(O)cc3)CC2)c1)c1ccc2ccccc2c1 ZINC000045302047 563185993 /nfs/dbraw/zinc/18/59/93/563185993.db2.gz BVEKEEDHIIIABO-UHFFFAOYSA-N 0 3 465.597 5.506 1 0 JKAFHN C[C@H](c1ccccc1)N1CCC[C@@]2(C1)ON(c1ccccc1)[C@H](c1ccccc1)[C@@H]2c1cccs1 ZINC000045302130 563186116 /nfs/dbraw/zinc/18/61/16/563186116.db2.gz YWECBCUHWCRYCV-ZGYHLWMKSA-N 0 3 480.677 7.621 1 0 JKAFHN Cn1nccc1-c1cc(NC(=O)Nc2ccccc2Cl)ccc1OCCN1CCCCC1 ZINC000045302336 563186303 /nfs/dbraw/zinc/18/63/03/563186303.db2.gz WPQIEXDUXUHJGL-UHFFFAOYSA-N 0 3 453.974 5.249 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccc4c(c3)OCO4)CC2)c1)c1cc2ccccc2s1 ZINC000045303095 563187065 /nfs/dbraw/zinc/18/70/65/563187065.db2.gz GDMMQCJETCMAJT-UHFFFAOYSA-N 0 3 499.636 5.590 1 0 JKAFHN Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CCN(Cc3ccco3)CC2)cc1 ZINC000045315880 563187420 /nfs/dbraw/zinc/18/74/20/563187420.db2.gz FXDXBYUZINJHRN-UHFFFAOYSA-N 0 3 498.631 5.060 1 0 JKAFHN OCCN1CCN(Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)CC1 ZINC000045317789 563187626 /nfs/dbraw/zinc/18/76/26/563187626.db2.gz VVJXZFIYYTXTKJ-UHFFFAOYSA-N 0 3 480.534 5.026 1 0 JKAFHN OCCN1CCN(Cc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)CC1 ZINC000045317789 563187627 /nfs/dbraw/zinc/18/76/27/563187627.db2.gz VVJXZFIYYTXTKJ-UHFFFAOYSA-N 0 3 480.534 5.026 1 0 JKAFHN O=C(Nc1ccc2c(c1)CCN2[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1)c1ccco1 ZINC000045322711 563188521 /nfs/dbraw/zinc/18/85/21/563188521.db2.gz KXXHETNQPANAOE-OAQYLSRUSA-N 0 3 455.480 5.188 1 0 JKAFHN CN(C)CCN(C)Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)o1 ZINC000045323848 563188993 /nfs/dbraw/zinc/18/89/93/563188993.db2.gz GXLOYDKPJLCFJB-UHFFFAOYSA-N 0 3 492.623 7.024 1 0 JKAFHN COc1cccc(C(=O)[C@H]2C[C@@H]2CN2CC=C(c3c[nH]c4cccc(Br)c43)CC2)c1 ZINC000045324620 563189248 /nfs/dbraw/zinc/18/92/48/563189248.db2.gz MXEWUAJHINAMCA-QUCCMNQESA-N 0 3 465.391 5.547 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3cccc(O)c3)CC2)c1)c1cc2ccccc2s1 ZINC000045334767 563189628 /nfs/dbraw/zinc/18/96/28/563189628.db2.gz NOQGVARZCCASLJ-UHFFFAOYSA-N 0 3 471.626 5.567 1 0 JKAFHN Cn1c2ccccc2n(C2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1=O ZINC000045336816 563190332 /nfs/dbraw/zinc/19/03/32/563190332.db2.gz JBUPYPVWTWDSFW-UHFFFAOYSA-N 0 3 475.583 5.867 1 0 JKAFHN O=C(Nc1cccc(CN2CCCN(Cc3ccc(F)cc3)CC2)c1)c1cc2ccccc2s1 ZINC000045337301 563190515 /nfs/dbraw/zinc/19/05/15/563190515.db2.gz DYWVVBMQYAAMLI-UHFFFAOYSA-N 0 3 473.617 6.001 1 0 JKAFHN CC(C)c1ccc(CN2CC[C@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045338377 563190794 /nfs/dbraw/zinc/19/07/94/563190794.db2.gz DJJYZTJOJFULRM-HXUWFJFHSA-N 0 3 486.603 6.809 1 0 JKAFHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc1)CC2 ZINC000045339319 563191070 /nfs/dbraw/zinc/19/10/70/563191070.db2.gz PTUVDCSPKIOWHE-UHFFFAOYSA-N 0 3 490.003 5.692 1 0 JKAFHN CC(C)OC(=O)C1=CN(C(=O)c2cccc(CN3CCCCC3)c2)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000045369676 563193622 /nfs/dbraw/zinc/19/36/22/563193622.db2.gz JQBMRWPCFKIIHS-UHFFFAOYSA-N 0 3 499.655 5.880 1 0 JKAFHN Cc1cc(=O)oc2c3c(ccc12)oc(C(=O)c1cccc(OCCN(C)C)c1)c3-c1ccccc1 ZINC000045370964 563193686 /nfs/dbraw/zinc/19/36/86/563193686.db2.gz ZLIDGLUMLZRHIN-UHFFFAOYSA-N 0 3 467.521 5.686 1 0 JKAFHN O=C(c1ccc(Cn2c3ccccc3nc2-c2ccccc2)cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000045391088 563195113 /nfs/dbraw/zinc/19/51/13/563195113.db2.gz ADZIWICILUZNFO-RUZDIDTESA-N 0 3 450.586 5.062 1 0 JKAFHN COC(=O)[C@@H](Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1ccc(Cl)cc1 ZINC000045391980 563195164 /nfs/dbraw/zinc/19/51/64/563195164.db2.gz XXDFWWPPZARXSE-QFIPXVFZSA-N 0 3 450.947 5.799 1 0 JKAFHN Cc1[nH]nc2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3cc(Cl)ccc3[O-])cc12 ZINC000045392174 563195172 /nfs/dbraw/zinc/19/51/72/563195172.db2.gz JGRVNYCDFQYPQZ-NRFANRHFSA-N 0 3 484.987 5.908 1 0 JKAFHN COC(=O)[C@H](Oc1cccc(-c2ccc3sc(C(=N)N)cc3c2)c1)c1ccc(Cl)cc1 ZINC000045391976 563195178 /nfs/dbraw/zinc/19/51/78/563195178.db2.gz XXDFWWPPZARXSE-JOCHJYFZSA-N 0 3 450.947 5.799 1 0 JKAFHN CCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1 ZINC000049034444 563198516 /nfs/dbraw/zinc/19/85/16/563198516.db2.gz ZRCBPVTWLWOJLM-UHFFFAOYSA-N 0 3 466.578 5.363 1 0 JKAFHN CCN(Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)CC1CCC1 ZINC000049035317 563198693 /nfs/dbraw/zinc/19/86/93/563198693.db2.gz CXVCSBLKJVSRPW-UHFFFAOYSA-N 0 3 452.952 6.344 1 0 JKAFHN O=C(CCc1c[nH]c2ccccc12)NCCCCCCNc1c2ccccc2nc2c1CCCC2 ZINC000049037728 563199240 /nfs/dbraw/zinc/19/92/40/563199240.db2.gz NTISYWBCRKDSDB-UHFFFAOYSA-N 0 3 468.645 6.316 1 0 JKAFHN [O-]c1ccc2c(c1)O[C@@H](c1ccc(OCC[NH+]3CCCCCC3)cc1)C1=C2CCOc2ccccc21 ZINC000049054153 563200349 /nfs/dbraw/zinc/20/03/49/563200349.db2.gz YVAJBGGOMIUCAI-HKBQPEDESA-N 0 3 483.608 6.474 1 0 JKAFHN Cc1cc2[nH]nc(C=Cc3cccc(CN4CCN(C)CC4)c3)c2cc1NC(=O)Cc1cccs1 ZINC000049070289 563201197 /nfs/dbraw/zinc/20/11/97/563201197.db2.gz JNCRJZQZLMYLLM-CMDGGOBGSA-N 0 3 485.657 5.032 1 0 JKAFHN c1ccc(-c2ccc(OCCNC[C@@H]3COC(c4ccccc4)(c4ccccc4)O3)cc2)cc1 ZINC000049110048 563202180 /nfs/dbraw/zinc/20/21/80/563202180.db2.gz FBYVWPPEENYVFP-GDLZYMKVSA-N 0 3 451.566 5.639 1 0 JKAFHN CC(C)Oc1ccccc1N1CCN(C2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)CC1 ZINC000053199479 563205189 /nfs/dbraw/zinc/20/51/89/563205189.db2.gz NIQWPNGICRVKCM-UHFFFAOYSA-N 0 3 472.580 5.007 1 0 JKAFHN CCCCN(CCCC)CC1(CN(CCCC)CCCC)Oc2cc(OC)cc(OC)c2C1=O ZINC000053295363 563205646 /nfs/dbraw/zinc/20/56/46/563205646.db2.gz BHVNDWFZTGOYTN-UHFFFAOYSA-N 0 3 476.702 5.822 1 0 JKAFHN CCCc1nc(-c2ccccc2)c(CNCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000053295624 563205659 /nfs/dbraw/zinc/20/56/59/563205659.db2.gz NESWHGRJBVTWRA-UHFFFAOYSA-N 0 3 494.683 5.791 1 0 JKAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3C[C@H]4C[C@@]4(c4ccc(Cl)cc4)C3)n2C)n1 ZINC000058519877 563206813 /nfs/dbraw/zinc/20/68/13/563206813.db2.gz AAONJNLMLWRZJE-HRFSGMKKSA-N 0 3 490.076 5.748 1 0 JKAFHN CC(=O)Nc1cccc(C2CCN(CCCC(=O)c3nc4ccccc4n3-c3ccc(F)cc3)CC2)c1 ZINC000058590458 563208034 /nfs/dbraw/zinc/20/80/34/563208034.db2.gz QGDKQFBVOXKNIP-UHFFFAOYSA-N 0 3 498.602 5.966 1 0 JKAFHN C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(Cc2ccccc2)CC1 ZINC000059687980 563209166 /nfs/dbraw/zinc/20/91/66/563209166.db2.gz QAYFVNCGVVULCG-QFIPXVFZSA-N 0 3 485.643 7.488 1 0 JKAFHN COc1ccc(OCCN2CCC(C(=O)N[C@H](c3ccccc3)c3ccc4ccccc4n3)CC2)cc1 ZINC000061898088 563209927 /nfs/dbraw/zinc/20/99/27/563209927.db2.gz CLUCMFKOKXHDQU-SSEXGKCCSA-N 0 3 495.623 5.240 3 0 JKAFHN N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccc(C(=O)NCc3ccco3)cn2)n1 ZINC000061902820 563209981 /nfs/dbraw/zinc/20/99/81/563209981.db2.gz HTHHJFSWGBGAQI-SFHVURJKSA-N 0 3 487.507 5.066 3 0 JKAFHN Cc1cccnc1[C@H](NC(=O)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1 ZINC000061906170 563210452 /nfs/dbraw/zinc/21/04/52/563210452.db2.gz NEOHLARHYYOGQU-WJOKGBTCSA-N 0 3 491.635 6.300 3 0 JKAFHN COc1ccc([C@H](NC(=O)C2CCN(CCOc3ccc(Cl)cc3)CC2)c2cccs2)cc1 ZINC000061906361 563210492 /nfs/dbraw/zinc/21/04/92/563210492.db2.gz DLFYXZQFSFQLCR-VWLOTQADSA-N 0 3 485.049 5.407 3 0 JKAFHN COc1ccc([C@@H](NC(=O)C2CCN(CCOc3ccc(Cl)cc3)CC2)c2cccs2)cc1 ZINC000061906362 563210498 /nfs/dbraw/zinc/21/04/98/563210498.db2.gz DLFYXZQFSFQLCR-RUZDIDTESA-N 0 3 485.049 5.407 3 0 JKAFHN CCCCNC(=O)[C@@]1(C)CCCCCN1Cc1cccc2c(OC)cc(C(=O)OCC)cc12 ZINC000061906568 563210514 /nfs/dbraw/zinc/21/05/14/563210514.db2.gz NXGRKAXQHFEYFD-HHHXNRCGSA-N 0 3 454.611 5.076 3 0 JKAFHN COc1ccc(OCCN2CCC(C(=O)N[C@H](c3ccc(Cl)cc3)c3ncccc3C)CC2)cc1 ZINC000061908984 563210830 /nfs/dbraw/zinc/21/08/30/563210830.db2.gz HKJSRFVGWVMVOQ-HHHXNRCGSA-N 0 3 494.035 5.049 3 0 JKAFHN COc1ccc(OCCN2CCC(C(=O)N[C@@H](c3ccc(Cl)cc3)c3ncccc3C)CC2)cc1 ZINC000061908985 563210845 /nfs/dbraw/zinc/21/08/45/563210845.db2.gz HKJSRFVGWVMVOQ-MHZLTWQESA-N 0 3 494.035 5.049 3 0 JKAFHN