smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)[C@H]1CCCC2=C1[NH2+]N(c1nc(-c3ccc(F)cc3)cs1)[C@]2([O-])C(F)(F)F ZINC000035999491 518976378 /nfs/dbraw/zinc/97/63/78/518976378.db2.gz KKBBMOZXYZHLCD-BXTJHSDWSA-N 0 1 441.494 5.839 2 0 IKAFMN Fc1ccc(C(OCCN2CCN(C/C=C\c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022812816 526326494 /nfs/dbraw/zinc/32/64/94/526326494.db2.gz DASHZBBQOARCMQ-DAXSKMNVSA-N 0 1 448.557 5.402 1 0 IKAFMN CCCCc1[nH+]cc(/C=C(\Cc2ccc(C)s2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000001552606 562922920 /nfs/dbraw/zinc/92/29/20/562922920.db2.gz RSZVFSZUNJOHTM-LDADJPATSA-N 0 1 428.985 6.008 1 0 IKAFMN COc1cc(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(OC)c1 ZINC000003780982 562937830 /nfs/dbraw/zinc/93/78/30/562937830.db2.gz DCAGUAUHSOJEOX-URLMMPGGSA-N 0 1 443.587 5.515 1 0 IKAFMN O=C(Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12)c1cccc(Cl)c1 ZINC000008680116 562961436 /nfs/dbraw/zinc/96/14/36/562961436.db2.gz KYONJIWWABRGQD-UHFFFAOYSA-N 0 1 426.255 5.725 3 0 aggregator IKAFMN CCC(=O)O[C@H](C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)/C(C)=C/Cc1c(O)cc(C)c(C=O)c1O ZINC000013432957 562986005 /nfs/dbraw/zinc/98/60/05/562986005.db2.gz VLFRJRBSRCFKPU-AXNCTASFSA-N 0 1 444.568 5.061 1 0 in-vivo IKAFMN CSc1ccc(Cl)c(NC(=N)N(C)c2cccc(I)c2)c1 ZINC000013442570 562986585 /nfs/dbraw/zinc/98/65/85/562986585.db2.gz JXZXUBTXFUTIGN-UHFFFAOYSA-N 0 1 431.730 5.150 1 0 IKAFMN O=C(Nc1c2ccccc2ccc1C(O)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1 ZINC000013489808 562989989 /nfs/dbraw/zinc/98/99/89/562989989.db2.gz VMKJKSGGERWXIK-UHFFFAOYSA-N 0 1 447.762 6.058 1 0 IKAFMN Cc1ccc(C(=O)Nc2c3ccccc3ccc2C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000013489817 562990124 /nfs/dbraw/zinc/99/01/24/562990124.db2.gz UWAMHBPMRVELSG-UHFFFAOYSA-N 0 1 427.344 5.713 1 0 IKAFMN COc1ccc(O[C@H](CCN2CCN(c3noc4ccccc43)CC2)c2ccccc2)cc1 ZINC000013530552 562992004 /nfs/dbraw/zinc/99/20/04/562992004.db2.gz ORVYTAZBAFYYLI-RUZDIDTESA-N 0 1 443.547 5.169 1 0 IKAFMN O=C(NCCCCc1ccccc1)c1ccccc1CN[C@@H]1CCCc2ccc(O)cc21 ZINC000013589133 562996151 /nfs/dbraw/zinc/99/61/51/562996151.db2.gz WAXRDAZDTSDCJJ-HHHXNRCGSA-N 0 1 428.576 5.312 1 0 IKAFMN C[C@H]1c2cc(O)ccc2CCN1Cc1ccccc1C(=O)NCC/C=C/c1ccccc1 ZINC000013589144 562996316 /nfs/dbraw/zinc/99/63/16/562996316.db2.gz RRGITTGLGFGTJZ-AKERNLMBSA-N 0 1 426.560 5.345 1 0 IKAFMN COc1ccc(NC(=O)Nc2ccc(Nc3ccnc4cc(OC)c(OC)cc43)cc2)cc1 ZINC000013610065 562997686 /nfs/dbraw/zinc/99/76/86/562997686.db2.gz LDTVINCRWQNISR-UHFFFAOYSA-N 0 1 444.491 5.648 1 0 IKAFMN O=C([O-])c1cncc(C[NH+]2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1 ZINC000013738240 563002751 /nfs/dbraw/zinc/00/27/51/563002751.db2.gz QWCLXONWSQGCKU-UHFFFAOYSA-N 0 1 445.950 5.025 1 0 IKAFMN COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(Cl)ccc32)CC1 ZINC000013740843 563003206 /nfs/dbraw/zinc/00/32/06/563003206.db2.gz MXVZSIZAGFKBIP-UHFFFAOYSA-N 0 1 442.943 5.341 1 0 IKAFMN CCC(=O)c1ccc(OCCCN2CCC(c3noc4cc(F)ccc43)CC2)c(OC)c1 ZINC000013740859 563003274 /nfs/dbraw/zinc/00/32/74/563003274.db2.gz NDYOGQKCYHHFLA-UHFFFAOYSA-N 0 1 440.515 5.217 1 0 IKAFMN COc1cc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc(OC)c1 ZINC000013744522 563003824 /nfs/dbraw/zinc/00/38/24/563003824.db2.gz DCAGUAUHSOJEOX-WDYNHAJCSA-N 0 1 443.587 5.515 1 0 IKAFMN Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000013760759 563004922 /nfs/dbraw/zinc/00/49/22/563004922.db2.gz ATOSFZGVHUPMHX-UHFFFAOYSA-N 0 1 437.986 6.887 1 0 IKAFMN Clc1ccc(OCCc2ccccc2)c(CCCN2CCN(c3ccccn3)CC2)c1 ZINC000013795809 563007277 /nfs/dbraw/zinc/00/72/77/563007277.db2.gz ZVBDCXMMMNDDKQ-UHFFFAOYSA-N 0 1 435.999 5.111 1 0 IKAFMN O=S(=O)(c1ccccc1)N(CCCN1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000013823454 563010297 /nfs/dbraw/zinc/01/02/97/563010297.db2.gz QWVPSLXKIGGBPP-UHFFFAOYSA-N 0 1 432.589 5.061 1 0 IKAFMN CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(n1)CCCCC2 ZINC000013826905 563010602 /nfs/dbraw/zinc/01/06/02/563010602.db2.gz QEPKKBADCQMSFB-UHFFFAOYSA-N 0 1 425.536 5.339 1 0 IKAFMN COc1ccc(O[C@H](CCN2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1 ZINC000013861699 563012826 /nfs/dbraw/zinc/01/28/26/563012826.db2.gz UJPPBKZKXYUAMB-AREMUKBSSA-N 0 1 432.564 5.036 1 0 IKAFMN c1ccc2ncc(Nc3nnc(-c4cc5ccccc5nc4CCc4ccncc4)o3)cc2c1 ZINC000014946582 563015406 /nfs/dbraw/zinc/01/54/06/563015406.db2.gz AJLLWVWGZYXPJJ-UHFFFAOYSA-N 0 1 444.498 5.757 1 0 IKAFMN COc1ccc([C@@H](OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925574 563025792 /nfs/dbraw/zinc/02/57/92/563025792.db2.gz NXEIIWOLSIXINJ-IINUCZPTSA-N 0 1 442.603 5.132 1 0 IKAFMN C[C@@H](c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000026384933 563031524 /nfs/dbraw/zinc/03/15/24/563031524.db2.gz CZMLHCKAVIBNFO-IBGZPJMESA-N 0 1 447.044 5.184 1 0 IKAFMN COC(=O)C=Cc1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N)cc3)[nH]2)cc1 ZINC000026576868 563033814 /nfs/dbraw/zinc/03/38/14/563033814.db2.gz LHWWVRWPIQQTJL-UBKPWBPPSA-N 0 1 438.531 5.245 1 0 IKAFMN CC(C)C(C(C)C)N(Cc1cnc[nH]1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000026655549 563034776 /nfs/dbraw/zinc/03/47/76/563034776.db2.gz IFKRSYJLBQQNGT-UHFFFAOYSA-N 0 1 429.561 5.087 1 0 IKAFMN O=c1oc2cc([O-])ccc2c(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccccc1 ZINC000027088851 563039179 /nfs/dbraw/zinc/03/91/79/563039179.db2.gz ZKROPOZVVXSGFR-UHFFFAOYSA-N 0 1 441.527 5.697 1 0 IKAFMN COc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027546822 563043426 /nfs/dbraw/zinc/04/34/26/563043426.db2.gz LAMLXQZWIGWWGU-VMPREFPWSA-N 0 1 427.588 5.815 1 0 IKAFMN Fc1ccc([C@H]2C[C@@H](N3CCN(C/C=C/c4ccccc4)CC3)c3cc(F)ccc32)cc1 ZINC000028009395 563049535 /nfs/dbraw/zinc/04/95/35/563049535.db2.gz WFWXLDOWSRFXSJ-MMZUHSRASA-N 0 1 430.542 5.873 1 0 IKAFMN Cc1ccc(COC(=O)NC(=O)c2cc(-c3ccc(-c4ccccc4O)cc3)cs2)cc1 ZINC000028129882 563051264 /nfs/dbraw/zinc/05/12/64/563051264.db2.gz ZRYWWVOWAKCPRO-UHFFFAOYSA-N 0 1 443.524 6.163 1 0 IKAFMN Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1N[C@@H]1CCCc2ccccc21 ZINC000028522944 563056188 /nfs/dbraw/zinc/05/61/88/563056188.db2.gz JONSRNZJYAZYTE-QGZVFWFLSA-N 0 1 435.329 5.349 1 0 IKAFMN O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1 ZINC000028603994 563059667 /nfs/dbraw/zinc/05/96/67/563059667.db2.gz GKYCMCAEMPRKBH-UHFFFAOYSA-N 0 1 448.010 5.339 1 0 IKAFMN c1ccc(-c2cc(CN3[C@@H]4CC[C@H]3CN(Cc3ccnc(-c5ccccc5)c3)C4)ccn2)cc1 ZINC000028707584 563062170 /nfs/dbraw/zinc/06/21/70/563062170.db2.gz JZTXTFWNWXKNQN-HNRBIFIRSA-N 0 1 446.598 5.659 1 0 IKAFMN O=C(Nc1ccc(-c2nc3cnc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)C1CCCCC1 ZINC000028866703 563067288 /nfs/dbraw/zinc/06/72/88/563067288.db2.gz MXIQUEWGKHJMKI-UHFFFAOYSA-N 0 1 445.567 5.663 1 0 IKAFMN O[C@@H](CCN1CC[N@H+]2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000029056362 563073407 /nfs/dbraw/zinc/07/34/07/563073407.db2.gz GAKAYJNKCDLKCE-KCHLEUMXSA-N 0 1 444.594 5.230 1 0 in-vivo IKAFMN CCCN(c1ccncc1F)n1cc(C)c2cc(OC(=O)NCc3ccccc3)ccc21 ZINC000029390289 563078878 /nfs/dbraw/zinc/07/88/78/563078878.db2.gz NSXZYACTNFGWSM-UHFFFAOYSA-N 0 1 432.499 5.452 1 0 IKAFMN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NCc1cccnc1)c1ccccc1 ZINC000029482066 563081127 /nfs/dbraw/zinc/08/11/27/563081127.db2.gz XXQAELFWFGIAAW-VWLOTQADSA-N 0 1 430.596 5.981 1 0 IKAFMN Nc1sc2c(c1C(=O)c1cccc(C(F)(F)F)c1)CCN(CCCc1ccccc1)C2 ZINC000029570863 563083030 /nfs/dbraw/zinc/08/30/30/563083030.db2.gz XSWIIAHQEAQTIA-UHFFFAOYSA-N 0 1 444.522 5.571 1 0 IKAFMN CCN1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000031840906 563083488 /nfs/dbraw/zinc/08/34/88/563083488.db2.gz OJDYOYOACQNEAI-JLTOFOAXSA-N 0 1 447.189 5.713 1 0 IKAFMN CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CCN(CCc3ccccc3)[C@H]12 ZINC000032223229 563084188 /nfs/dbraw/zinc/08/41/88/563084188.db2.gz CNVUUIARARNSRA-BDYUSTAISA-N 0 1 427.548 5.280 1 0 IKAFMN O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2Cl)CC1 ZINC000034802348 563087605 /nfs/dbraw/zinc/08/76/05/563087605.db2.gz USSNTKNKIDZPTF-UHFFFAOYSA-N 0 1 445.994 5.273 1 0 IKAFMN CNc1ncc2cc(-c3cc(Nc4nc5ccc(C(F)(F)F)cc5[nH]4)ccc3C)ccc2n1 ZINC000035049801 563089024 /nfs/dbraw/zinc/08/90/24/563089024.db2.gz XDGHTBHPIPZHLJ-UHFFFAOYSA-N 0 1 448.452 6.286 1 0 IKAFMN O=C([O-])[C@@H]1CCC[N@H+]1CCOc1ccc(-c2ccsc2)cc1Sc1cccc(F)c1 ZINC000036143390 563091239 /nfs/dbraw/zinc/09/12/39/563091239.db2.gz APMOGVRVYQSCPR-FQEVSTJZSA-N 0 1 443.565 5.633 1 0 IKAFMN CC(C)([NH2+]Cc1ccc(Cl)cc1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1[O-] ZINC000036286632 563092562 /nfs/dbraw/zinc/09/25/62/563092562.db2.gz OLLAHMNWYVKZNL-UHFFFAOYSA-N 0 1 436.766 7.170 1 0 IKAFMN Cc1nc2c3ccccc3oc2c(SCc2nc3ccc(Br)cc3[nH]2)n1 ZINC000036380929 563093796 /nfs/dbraw/zinc/09/37/96/563093796.db2.gz LDRHASWWKINBCW-UHFFFAOYSA-N 0 1 425.311 5.616 3 0 IKAFMN O=C1[C@H](Cc2ccccc2)NCCCC[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000036383043 563094213 /nfs/dbraw/zinc/09/42/13/563094213.db2.gz CTMLSBZWEYRJQJ-IZZNHLLZSA-N 0 1 432.995 5.795 3 0 IKAFMN CC(C)(C)C(=O)Nc1ccc2nc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)[nH]c2c1 ZINC000038147881 563096393 /nfs/dbraw/zinc/09/63/93/563096393.db2.gz WPWODYUMTXQMLE-UHFFFAOYSA-N 0 1 446.938 6.120 1 0 IKAFMN Nc1cc(-c2ccccc2)nc2ccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cc12 ZINC000038149833 563096654 /nfs/dbraw/zinc/09/66/54/563096654.db2.gz ZJZXOZUWWIPLAR-MDWZMJQESA-N 0 1 433.433 6.155 1 0 IKAFMN COc1ccc(OCCCCCCC(C(=O)C(C)(C)C)=C(O)C(C)(C)C)c(Cl)c1 ZINC000039214256 563098901 /nfs/dbraw/zinc/09/89/01/563098901.db2.gz BTCQMABXLBWCNR-UHFFFAOYSA-N 0 1 425.009 6.525 1 0 IKAFMN C/C(=C/CC[C@@H](C)C=C1OC(=O)C(C)=C1O)CC/C=C(/C)CCCC1=C[C@H](O)OC1=O ZINC000040394327 563100369 /nfs/dbraw/zinc/10/03/69/563100369.db2.gz NIYLZGMUFLNCHW-MJKDYQEBSA-N 0 1 430.541 5.320 1 0 IKAFMN CC[C@H]1CCCN1CN1C(=O)c2cccc3c4oc(-c5ccccc5)nc4cc(c32)C1=O ZINC000040406519 563101386 /nfs/dbraw/zinc/10/13/86/563101386.db2.gz TYGGBXINXDIKGP-KRWDZBQOSA-N 0 1 425.488 5.076 1 0 IKAFMN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCCc3cc(C)ccc3C)c2)[nH]1 ZINC000040409687 563101575 /nfs/dbraw/zinc/10/15/75/563101575.db2.gz MIYJKVFFUICQPF-UHFFFAOYSA-N 0 1 432.568 6.271 1 0 IKAFMN CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NCc3ccco3)c2)[nH]1 ZINC000040409683 563101579 /nfs/dbraw/zinc/10/15/79/563101579.db2.gz JURPACTVXHEKKU-UHFFFAOYSA-N 0 1 430.455 6.085 1 0 IKAFMN CC(C)(C)c1ccc(-c2nc3c(cccc3N3CCN(Cc4cccs4)CC3)[nH]2)cc1 ZINC000040429954 563103281 /nfs/dbraw/zinc/10/32/81/563103281.db2.gz PSPJERCZIISKSG-UHFFFAOYSA-N 0 1 430.621 5.911 1 0 IKAFMN CC(C)[N@@H+](C)[C@H](C)[C@@H](c1ccc2cc(OCC3(C(=O)[O-])CCCC3)ccc2c1)n1ccnc1 ZINC000040564282 563104679 /nfs/dbraw/zinc/10/46/79/563104679.db2.gz MYLJXYCXVOMQPS-NLFFAJNJSA-N 0 1 449.595 5.378 1 0 IKAFMN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(NC3CC3)[nH]c2c1 ZINC000040568497 563105211 /nfs/dbraw/zinc/10/52/11/563105211.db2.gz IZFIBMWWSGZPCL-UHFFFAOYSA-N 0 1 433.924 5.218 1 0 IKAFMN Cc1c(CN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040878560 563109573 /nfs/dbraw/zinc/10/95/73/563109573.db2.gz TZNGAHHNPRTWAF-UHFFFAOYSA-N 0 1 434.798 6.794 1 0 IKAFMN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H](C)CCc3ccccc3)c2)[nH]1 ZINC000040955993 563114666 /nfs/dbraw/zinc/11/46/66/563114666.db2.gz GOUYVNZKESXWSQ-KRWDZBQOSA-N 0 1 432.568 6.433 1 0 IKAFMN O=C(NCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000040956959 563114743 /nfs/dbraw/zinc/11/47/43/563114743.db2.gz NWKDHMOLGIJQDW-UHFFFAOYSA-N 0 1 445.312 5.654 1 0 IKAFMN COc1ccccc1Oc1cc2[nH]c(-c3ccccn3)nc2cc1[C@H]1CCCN1C(C)=O ZINC000043019164 563117027 /nfs/dbraw/zinc/11/70/27/563117027.db2.gz REUAKQCKYDAQFA-OAQYLSRUSA-N 0 1 428.492 5.109 1 0 IKAFMN COc1cccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2[C@H]2CCCN2C(C)=O)c1 ZINC000043065527 563117864 /nfs/dbraw/zinc/11/78/64/563117864.db2.gz MUZCVTNDUYLZRF-HSZRJFAPSA-N 0 1 428.492 5.109 1 0 IKAFMN COc1ccc(-c2oc3c(CC=C(C)C)c4c(c(=O)c-3c(O)c2O)C=CC(C)(C)O4)cc1 ZINC000043120221 563118838 /nfs/dbraw/zinc/11/88/38/563118838.db2.gz GHEBWBVTFSMHIJ-UHFFFAOYSA-N 0 1 434.488 5.573 1 0 IKAFMN Cc1ccccc1N1CC2(CCC(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)OC1=O ZINC000043200814 563119414 /nfs/dbraw/zinc/11/94/14/563119414.db2.gz JPBNBHCANXCOGP-UHFFFAOYSA-N 0 1 445.441 5.823 1 0 IKAFMN C[C@H](O)[C@@H]1CCCCN1C(=O)c1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1 ZINC000045168014 563122576 /nfs/dbraw/zinc/12/25/76/563122576.db2.gz CFCZRWBWIKPDDJ-GKVSMKOHSA-N 0 1 443.522 5.412 1 0 IKAFMN COCCNCc1nc(-c2ccc3c(c2)nccc3Nc2ccc(Cl)cc2F)cs1 ZINC000045187073 563122764 /nfs/dbraw/zinc/12/27/64/563122764.db2.gz RFYQDFWMIQYRCT-UHFFFAOYSA-N 0 1 442.947 5.630 1 0 IKAFMN C[C@H](O)[C@H]1CCCCN1C(=O)c1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1 ZINC000045189558 563123334 /nfs/dbraw/zinc/12/33/34/563123334.db2.gz FNCBFJNJDPBZOU-SSOJOUAXSA-N 0 1 443.522 5.412 1 0 IKAFMN O=C(Nc1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1)c1cccs1 ZINC000045201476 563124693 /nfs/dbraw/zinc/12/46/93/563124693.db2.gz HYHWLZDIEFMGNZ-UHFFFAOYSA-N 0 1 444.959 5.836 1 0 IKAFMN Cc1cccc2nc(-c3ccc(-c4ccc(NC(=O)NCc5ccccc5)cc4)s3)[nH]c21 ZINC000045201700 563124798 /nfs/dbraw/zinc/12/47/98/563124798.db2.gz VHSNQCAORJJLRQ-UHFFFAOYSA-N 0 1 438.556 6.589 1 0 IKAFMN CCC[C@@H](C)Nc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(OC)cc2)n1 ZINC000045202265 563124911 /nfs/dbraw/zinc/12/49/11/563124911.db2.gz BIACJLORPSIZKD-JPYJTQIMSA-N 0 1 447.583 5.056 1 0 IKAFMN CC(C)c1ccc(NC(=O)c2ccc(C(=O)N[C@@H]3CCN(Cc4ccsc4)C3)cc2)cc1 ZINC000045202528 563125107 /nfs/dbraw/zinc/12/51/07/563125107.db2.gz MTIBQKRTTWKTAA-XMMPIXPASA-N 0 1 447.604 5.128 1 0 IKAFMN Cc1nnsc1C(=O)Nc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1 ZINC000045210629 563125292 /nfs/dbraw/zinc/12/52/92/563125292.db2.gz YFIAKDKWMHZAKX-UHFFFAOYSA-N 0 1 429.480 5.448 1 0 IKAFMN COc1cc2nccc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2cc1OC ZINC000045228574 563125750 /nfs/dbraw/zinc/12/57/50/563125750.db2.gz OZVUGQWNEMCASZ-UHFFFAOYSA-N 0 1 428.467 5.533 1 0 IKAFMN c1ccc2[nH]c(-c3ccc(-c4cccc(CN5CCN(c6cc[nH+]cc6)CC5)c4)cc3)nc2c1 ZINC000045229814 563126022 /nfs/dbraw/zinc/12/60/22/563126022.db2.gz HRXFDAHXKLLPMG-UHFFFAOYSA-N 0 1 445.570 5.614 1 0 IKAFMN Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@H]1CCN(Cc2ccco2)C1 ZINC000045301737 563129285 /nfs/dbraw/zinc/12/92/85/563129285.db2.gz 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Cc1ccc(-n2c(=S)[nH]nc2Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000049088482 563138079 /nfs/dbraw/zinc/13/80/79/563138079.db2.gz DZLZYZVPBMXLQV-UHFFFAOYSA-N 0 1 444.383 5.868 1 0 IKAFMN O=C1NC(=O)[C@@H](c2ccccc2-c2ccc(CC[C@@H]3N=CC(CC4CCCC4)=N3)cc2)S1 ZINC000049113216 563138513 /nfs/dbraw/zinc/13/85/13/563138513.db2.gz ZIJRQHVPSNVIQR-DNQXCXABSA-N 0 1 445.588 5.742 1 0 IKAFMN C[C@]12CC[C@@H]3c4cc(Cl)c(O)c(Cl)c4CC[C@H]3[C@@H]1CC[C@@]21CCC(C)(C)C(=O)O1 ZINC000049115198 563138760 /nfs/dbraw/zinc/13/87/60/563138760.db2.gz DZTWNJPDHCENOU-WTXQNWSASA-N 0 1 437.407 6.657 1 0 IKAFMN COc1ccc(/C=C2\CN(C)C[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000052603518 563140811 /nfs/dbraw/zinc/14/08/11/563140811.db2.gz ZGZNFZMNAFLLAL-SBKMGBICSA-N 0 1 439.559 5.266 1 0 IKAFMN O=C1CC(c2ccccc2)=NN1[C@H]1C[C@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000058506721 563143779 /nfs/dbraw/zinc/14/37/79/563143779.db2.gz FMSXPQBTIIAFPL-JKSUJKDBSA-N 0 1 427.348 5.130 1 0 IKAFMN 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OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040881424 563109810 /nfs/dbraw/zinc/10/98/10/563109810.db2.gz FRMIDCOICRIAHB-NJEHHLDASA-N 0 1 438.398 6.597 1 0 IKAFMN Clc1cccc(N2CCN(CCCCOc3cc4ccccc4cn3)CC2)c1Cl ZINC000040955759 563114676 /nfs/dbraw/zinc/11/46/76/563114676.db2.gz MHFKMHGOYNDZEI-UHFFFAOYSA-N 0 1 430.379 5.523 1 0 IKAFMN COc1cccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2[C@@H]2CCCN2C(C)=O)c1 ZINC000043065531 563117860 /nfs/dbraw/zinc/11/78/60/563117860.db2.gz MUZCVTNDUYLZRF-QHCPKHFHSA-N 0 1 428.492 5.109 1 0 IKAFMN CCNC(=O)N1CCC[C@H]1c1cc2nc(-c3ccccn3)[nH]c2cc1Oc1ccc(F)cc1 ZINC000043078131 563118382 /nfs/dbraw/zinc/11/83/82/563118382.db2.gz GIMOWYWHWAUYLT-QFIPXVFZSA-N 0 1 445.498 5.423 1 0 IKAFMN O=C(CCc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1 ZINC000045167155 563122325 /nfs/dbraw/zinc/12/23/25/563122325.db2.gz HVLLCLCDZIUPIJ-UHFFFAOYSA-N 0 1 431.496 5.392 1 0 IKAFMN O=C(Nc1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1)c1ccsc1 ZINC000045168603 563122684 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5.446 1 0 IKAFMN Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)CCc5c[nH]cn5)c4)s3)[nH]c21 ZINC000045202871 563125222 /nfs/dbraw/zinc/12/52/22/563125222.db2.gz NYYRUTSBIZFFDQ-UHFFFAOYSA-N 0 1 427.533 5.561 1 0 IKAFMN Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)CCc5cnc[nH]5)c4)s3)nc21 ZINC000045202871 563125223 /nfs/dbraw/zinc/12/52/23/563125223.db2.gz NYYRUTSBIZFFDQ-UHFFFAOYSA-N 0 1 427.533 5.561 1 0 IKAFMN Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)c5cccc(C(N)=O)c5)c4)cc3)[nH]c21 ZINC000045228056 563125584 /nfs/dbraw/zinc/12/55/84/563125584.db2.gz YPXDXTGKUKATOJ-UHFFFAOYSA-N 0 1 446.510 5.557 1 0 IKAFMN Cc1nnsc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1 ZINC000045227758 563125621 /nfs/dbraw/zinc/12/56/21/563125621.db2.gz SZBXBKGNJPRXKR-UHFFFAOYSA-N 0 1 429.480 5.448 1 0 IKAFMN CCc1ccc(NC(=O)c2ccc(C[N@H+]3CCCN(Cc4cccc(C)c4)CC3)cc2)cc1 ZINC000045229847 563125993 /nfs/dbraw/zinc/12/59/93/563125993.db2.gz IWWJZOAUUQPIOP-UHFFFAOYSA-N 0 1 441.619 5.518 1 0 IKAFMN Cc1nnsc1C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1 ZINC000045230315 563126101 /nfs/dbraw/zinc/12/61/01/563126101.db2.gz YRTSHSTZUQOUPS-UHFFFAOYSA-N 0 1 429.480 5.448 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)c5cccnc5Cl)c4)c3)[nH]c21 ZINC000045315019 563129788 /nfs/dbraw/zinc/12/97/88/563129788.db2.gz CHEZNBUZBVZEAS-UHFFFAOYSA-N 0 1 438.918 6.506 1 0 IKAFMN Cc1cc(N[C@@H](CC(C)C)C(=O)Nc2ccccc2)nc(NCCc2ccc(F)cc2)n1 ZINC000045322795 563130569 /nfs/dbraw/zinc/13/05/69/563130569.db2.gz PRIFQDXHDFBBCQ-QFIPXVFZSA-N 0 1 435.547 5.044 1 0 IKAFMN O=C(CCc1cnc[nH]1)Nc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000045323135 563130580 /nfs/dbraw/zinc/13/05/80/563130580.db2.gz KDWUOGVLYXDNGG-UHFFFAOYSA-N 0 1 425.467 5.330 1 0 IKAFMN CCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(CCc3ccccc3)[C@@H]1N2C ZINC000049032741 563135834 /nfs/dbraw/zinc/13/58/34/563135834.db2.gz OXUOKFNDWUANFG-BDYUSTAISA-N 0 1 435.612 5.337 1 0 IKAFMN O=C1NC(=O)[C@H](c2ccccc2-c2ccc(CC[C@H]3N=CC(CC4CCCC4)=N3)cc2)S1 ZINC000049113219 563138593 /nfs/dbraw/zinc/13/85/93/563138593.db2.gz 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KPDHBCNLGPTZNC-DEOSSOPVSA-N 0 1 431.561 5.399 1 0 IKAFMN O=C([O-])C[C@@H](c1ccccc1)n1ccc2cc(OCCc3ccc4c([nH+]3)NCCC4)ccc21 ZINC000028470652 563055445 /nfs/dbraw/zinc/05/54/45/563055445.db2.gz BEOOWKDNVJKISL-VWLOTQADSA-N 0 1 441.531 5.080 1 0 IKAFMN O=C1Nc2ccccc2[C@H](c2ccccc2)N1C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000028568156 563058395 /nfs/dbraw/zinc/05/83/95/563058395.db2.gz FOPUJSJQHJHZKH-VWLOTQADSA-N 0 1 431.967 5.942 1 0 IKAFMN O=C1Nc2ccccc2[C@@H](c2ccccc2)N1C1CCN(Cc2ccccc2Cl)CC1 ZINC000028567993 563058427 /nfs/dbraw/zinc/05/84/27/563058427.db2.gz CQBYCTWLUKYTPN-RUZDIDTESA-N 0 1 431.967 5.942 1 0 IKAFMN COc1ccccc1CN1CCC(N2C(=O)Nc3ccccc3[C@@H]2c2ccccc2)CC1 ZINC000028568003 563058441 /nfs/dbraw/zinc/05/84/41/563058441.db2.gz PSPIPEZWCFFHNP-SANMLTNESA-N 0 1 427.548 5.297 1 0 IKAFMN O=C1Nc2ccccc2[C@H](c2ccccc2)N1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000028568073 563058478 /nfs/dbraw/zinc/05/84/78/563058478.db2.gz NBWUEXRNUZNQAL-VWLOTQADSA-N 0 1 431.967 5.942 1 0 IKAFMN CCCCCC(=O)Nc1noc(C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569418 563058901 /nfs/dbraw/zinc/05/89/01/563058901.db2.gz XDNYVASFZXRZJI-UHFFFAOYSA-N 0 1 438.368 5.481 1 0 IKAFMN CCOC(=O)C(C)=Cc1ccc2nc(-c3cccc(-c4ccc(C(C)(C)C)cc4)n3)[nH]c2c1 ZINC000028571338 563059307 /nfs/dbraw/zinc/05/93/07/563059307.db2.gz RVQKZTWCOQANMP-FBMGVBCBSA-N 0 1 439.559 6.556 1 0 IKAFMN O=C(CCCN1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1Cl ZINC000028647016 563060862 /nfs/dbraw/zinc/06/08/62/563060862.db2.gz NZZDOTMFWBRWNC-UHFFFAOYSA-N 0 1 440.802 5.183 1 0 IKAFMN O=C(CCCN1CCN(Cc2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1Cl ZINC000028647013 563060908 /nfs/dbraw/zinc/06/09/08/563060908.db2.gz RYWNEHSSSQPTOY-UHFFFAOYSA-N 0 1 440.802 5.183 1 0 IKAFMN COc1ccccc1CN(C)Cc1ccc(-c2cc3cc(OC)c(OC)cc3oc2=O)cc1 ZINC000028710691 563062544 /nfs/dbraw/zinc/06/25/44/563062544.db2.gz WGNYJSHONXWUNW-UHFFFAOYSA-N 0 1 445.515 5.118 1 0 IKAFMN COc1ccc2cc(-c3[nH]c(-c4ccccc4C(F)(F)F)nc3-c3ccncc3)ccc2c1 ZINC000028824342 563066039 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IKAFMN CCCCc1[nH+]cc(/C=C(\Cc2cc(OC)cs2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000036222436 563092232 /nfs/dbraw/zinc/09/22/32/563092232.db2.gz NRIPYKSKBQDPOW-LICLKQGHSA-N 0 1 444.984 5.708 1 0 IKAFMN C[N@H+]1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000036271076 563092448 /nfs/dbraw/zinc/09/24/48/563092448.db2.gz NQHSMRHMUBKGPZ-DJJJIMSYSA-N 0 1 433.162 5.322 1 0 IKAFMN CN1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000036271076 563092449 /nfs/dbraw/zinc/09/24/49/563092449.db2.gz NQHSMRHMUBKGPZ-DJJJIMSYSA-N 0 1 433.162 5.322 1 0 IKAFMN O=C(Nc1ccc2nc(-c3cnn(-c4ccc(F)cc4)c3)[nH]c2c1)c1ccccc1Cl ZINC000038147889 563096449 /nfs/dbraw/zinc/09/64/49/563096449.db2.gz PEUHOGMONYOJND-UHFFFAOYSA-N 0 1 431.858 5.460 1 0 IKAFMN Clc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)cc1 ZINC000038347604 563097529 /nfs/dbraw/zinc/09/75/29/563097529.db2.gz IYIPPDAHNXLMCW-UHFFFAOYSA-N 0 1 448.751 7.308 1 0 IKAFMN O=S(=O)(c1cn(C2CCN(Cc3ccccc3)CC2)c2ccccc12)c1ccccc1 ZINC000038560359 563097989 /nfs/dbraw/zinc/09/79/89/563097989.db2.gz NIZUMIGDRUBUIF-UHFFFAOYSA-N 0 1 430.573 5.311 1 0 IKAFMN c1c(CN2CCC3(CC2)OCc2ccccc23)c(Cc2ccccc2)nn1-c1ccccc1 ZINC000040392818 563100012 /nfs/dbraw/zinc/10/00/12/563100012.db2.gz OCLSCKIXQQLLSD-UHFFFAOYSA-N 0 1 435.571 5.485 1 0 IKAFMN CC[C@@H]1CCCN1CN1C(=O)c2cccc3c4oc(-c5ccccc5)nc4cc(c32)C1=O ZINC000040407282 563101447 /nfs/dbraw/zinc/10/14/47/563101447.db2.gz TYGGBXINXDIKGP-QGZVFWFLSA-N 0 1 425.488 5.076 1 0 IKAFMN CCCC[NH+](CCCC)CCOc1cc(=O)c2c([O-])c(-c3ccc(O)cc3)coc-2c1 ZINC000040430609 563103421 /nfs/dbraw/zinc/10/34/21/563103421.db2.gz PAAXKEIJIYHRCZ-UHFFFAOYSA-N 0 1 425.525 5.152 1 0 IKAFMN CCCC[NH+](CCCC)CCOc1cc([O-])c2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000040430609 563103423 /nfs/dbraw/zinc/10/34/23/563103423.db2.gz PAAXKEIJIYHRCZ-UHFFFAOYSA-N 0 1 425.525 5.152 1 0 IKAFMN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(N3CCCC3)[nH]c2c1 ZINC000040575423 563105203 /nfs/dbraw/zinc/10/52/03/563105203.db2.gz XZVGIPQQAGNDJX-UHFFFAOYSA-N 0 1 447.951 5.244 1 0 IKAFMN COC1=C(C)C(=O)O/C1=C\[C@H](C)CCC/C(C)=C/CC/C(C)=C/CCC1=CC(=O)O[C@@H]1O ZINC000040872558 563109043 /nfs/dbraw/zinc/10/90/43/563109043.db2.gz DDTMQYOTHOOUKC-VYKJSIEISA-N 0 1 444.568 5.409 1 0 IKAFMN CN(c1nc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2[nH]1)C1CCCC1 ZINC000040937281 563112920 /nfs/dbraw/zinc/11/29/20/563112920.db2.gz WMKQOFZKQKGZAQ-UHFFFAOYSA-N 0 1 430.474 5.532 1 0 IKAFMN CN(c1nc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2[nH]1)C1CCCCC1 ZINC000040937556 563113036 /nfs/dbraw/zinc/11/30/36/563113036.db2.gz RPHDHNYYAQYXLM-UHFFFAOYSA-N 0 1 444.501 5.922 1 0 IKAFMN O=S(=O)(Nc1cc(Cl)nc(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040939039 563113199 /nfs/dbraw/zinc/11/31/99/563113199.db2.gz RTEXHLWVXGVPBH-UHFFFAOYSA-N 0 1 439.164 5.227 1 0 IKAFMN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@H](C)CCc3ccccc3)c2)[nH]1 ZINC000040955996 563114657 /nfs/dbraw/zinc/11/46/57/563114657.db2.gz GOUYVNZKESXWSQ-QGZVFWFLSA-N 0 1 432.568 6.433 1 0 IKAFMN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H]3CCCc4ccccc43)c2)[nH]1 ZINC000040957073 563114841 /nfs/dbraw/zinc/11/48/41/563114841.db2.gz VRFQIBYIEAYTBZ-OAQYLSRUSA-N 0 1 430.552 6.489 1 0 IKAFMN COc1ccccc1Oc1cc2[nH]c(-c3ccccn3)nc2cc1[C@@H]1CCCN1C(C)=O ZINC000043019166 563117032 /nfs/dbraw/zinc/11/70/32/563117032.db2.gz REUAKQCKYDAQFA-NRFANRHFSA-N 0 1 428.492 5.109 1 0 IKAFMN CCC(=O)N1CCC[C@@H]1c1cc2nc(-c3ccccn3)[nH]c2cc1Oc1ccc(F)cc1 ZINC000043020609 563117217 /nfs/dbraw/zinc/11/72/17/563117217.db2.gz ULSWPSNKIIZNJX-JOCHJYFZSA-N 0 1 430.483 5.630 1 0 IKAFMN CCNC(=O)N1CCC[C@@H]1c1cc2nc(-c3ccccn3)[nH]c2cc1Oc1ccc(F)cc1 ZINC000043078128 563118367 /nfs/dbraw/zinc/11/83/67/563118367.db2.gz GIMOWYWHWAUYLT-JOCHJYFZSA-N 0 1 445.498 5.423 1 0 IKAFMN CN(C)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCSCC1 ZINC000043205396 563119512 /nfs/dbraw/zinc/11/95/12/563119512.db2.gz GCLBDUBKVIKULL-UHFFFAOYSA-N 0 1 432.699 6.395 1 0 IKAFMN CC(C)(C)c1ccc(CNC(=O)c2ccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cc2)cc1 ZINC000045167914 563122467 /nfs/dbraw/zinc/12/24/67/563122467.db2.gz CNHSFYRMPPQRSZ-UHFFFAOYSA-N 0 1 439.603 6.755 1 0 IKAFMN CCC[C@@H](C)Nc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(C)cc2)n1 ZINC000045167785 563122494 /nfs/dbraw/zinc/12/24/94/563122494.db2.gz MPYVVKMSBMNIBL-YKSBVNFPSA-N 0 1 445.611 5.034 1 0 IKAFMN COc1ccc(NC(=O)Nc2cccc(-c3cccc(-c4nc5cccc(C)c5[nH]4)c3)c2)cc1 ZINC000045168204 563122563 /nfs/dbraw/zinc/12/25/63/563122563.db2.gz AVWFBFRNESWVLP-UHFFFAOYSA-N 0 1 448.526 6.858 1 0 IKAFMN Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)NCc5ccccc5)c4)cc3)[nH]c21 ZINC000045187366 563122890 /nfs/dbraw/zinc/12/28/90/563122890.db2.gz LAHXZYAAYMACIM-UHFFFAOYSA-N 0 1 432.527 6.527 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4ccc(C(=O)N5CCCC[C@@H]5[C@@H](C)O)cc4)c3)[nH]c21 ZINC000045190461 563123456 /nfs/dbraw/zinc/12/34/56/563123456.db2.gz BNMHAFOGEFUKGR-KBMIEXCESA-N 0 1 439.559 5.581 1 0 IKAFMN O=C(Nc1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1)c1ccc(F)cc1 ZINC000045192373 563123879 /nfs/dbraw/zinc/12/38/79/563123879.db2.gz VSPTVTGGLUMBSV-UHFFFAOYSA-N 0 1 444.959 5.836 1 0 IKAFMN O=C(CCc1cccnc1)Nc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1 ZINC000045194562 563124325 /nfs/dbraw/zinc/12/43/25/563124325.db2.gz PEVJZRFGLNDDBZ-UHFFFAOYSA-N 0 1 436.490 6.002 1 0 IKAFMN Clc1ccccc1C=Cc1cncnc1Nc1ccc2nc(Cc3ccccc3)[nH]c2c1 ZINC000045202180 563124872 /nfs/dbraw/zinc/12/48/72/563124872.db2.gz HGZRUEUZLMVXAM-ZHACJKMWSA-N 0 1 437.934 6.511 1 0 IKAFMN COc1ccc(NC(=O)[C@H](CC(C)C)Nc2cc(C)nc(NCc3ccccc3C)n2)cc1 ZINC000045202175 563124896 /nfs/dbraw/zinc/12/48/96/563124896.db2.gz ZRYWPNMOBNRTCK-QHCPKHFHSA-N 0 1 447.583 5.179 1 0 IKAFMN CCC[C@H](C)Nc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(OC)cc2)n1 ZINC000045202267 563124970 /nfs/dbraw/zinc/12/49/70/563124970.db2.gz BIACJLORPSIZKD-MBSDFSHPSA-N 0 1 447.583 5.056 1 0 IKAFMN Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)c5cnn6cccnc56)c4)cc3)[nH]c21 ZINC000045210671 563125333 /nfs/dbraw/zinc/12/53/33/563125333.db2.gz RPCXDALBVRWCOO-UHFFFAOYSA-N 0 1 444.498 5.500 1 0 IKAFMN Cc1cnc(C[S@](=O)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1OCc1ccccc1 ZINC000045226674 563125422 /nfs/dbraw/zinc/12/54/22/563125422.db2.gz SBIIGFBBFMTJHL-WJOKGBTCSA-N 0 1 445.466 5.172 1 0 IKAFMN O=C(Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)c1c[nH]cn1 ZINC000045226631 563125434 /nfs/dbraw/zinc/12/54/34/563125434.db2.gz UATBHQKLMRLLLS-UHFFFAOYSA-N 0 1 447.420 5.891 1 0 IKAFMN COc1ccc(NC(=O)Nc2ccc(-c3cccc(-c4nc5cccc(C)c5[nH]4)c3)cc2)cc1 ZINC000045211257 563125447 /nfs/dbraw/zinc/12/54/47/563125447.db2.gz UJFAYLOVUGYHMY-UHFFFAOYSA-N 0 1 448.526 6.858 1 0 IKAFMN Cc1cccc2nc(-c3ccc(-c4ccc(NC(=O)Nc5ccsc5)cc4)s3)[nH]c21 ZINC000045228340 563125704 /nfs/dbraw/zinc/12/57/04/563125704.db2.gz XBYQYCXKVWLAON-UHFFFAOYSA-N 0 1 430.558 6.972 1 0 IKAFMN Cc1nnsc1C(=O)Nc1cccc(-c2cccc(-c3nc4cccc(C)c4[nH]3)c2)c1 ZINC000045229381 563125809 /nfs/dbraw/zinc/12/58/09/563125809.db2.gz XXKXCTWEVCJPEB-UHFFFAOYSA-N 0 1 425.517 5.618 1 0 IKAFMN Nc1nc2c(ccnc2-c2cc(Br)c(-c3cccc(-c4ccccc4)c3)[nH]2)[nH]1 ZINC000045257567 563127421 /nfs/dbraw/zinc/12/74/21/563127421.db2.gz AFUGNEPMHNXKQF-UHFFFAOYSA-N 0 1 430.309 5.632 1 0 IKAFMN COc1ccc(NC(=O)[C@H](CC(C)C)Nc2cc(C)nc(NCC3CCCCC3)n2)cc1 ZINC000045321720 563130276 /nfs/dbraw/zinc/13/02/76/563130276.db2.gz RTBGHYNLYSWSLV-QFIPXVFZSA-N 0 1 439.604 5.251 1 0 IKAFMN CC(=O)N[C@H](C(=O)Nc1ccc(-c2cccc(-c3nc4cccc(C)c4[nH]3)c2)cc1)C(C)C ZINC000045323302 563130617 /nfs/dbraw/zinc/13/06/17/563130617.db2.gz LXURFXQFPCAZHZ-DEOSSOPVSA-N 0 1 440.547 5.305 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)NCc5ccccc5)c4)c3)[nH]c21 ZINC000045334742 563131188 /nfs/dbraw/zinc/13/11/88/563131188.db2.gz NSLNZBQGHPYMOE-UHFFFAOYSA-N 0 1 432.527 6.527 1 0 IKAFMN C[N@@H+]1CCc2cc(Cl)c([O-])cc2[C@H]2c3cccc(-c4cc(F)cc(F)c4)c3CC[C@@H]21 ZINC000045355154 563132516 /nfs/dbraw/zinc/13/25/16/563132516.db2.gz UOQCESDGUHFPMW-UKILVPOCSA-N 0 1 425.906 5.925 1 0 IKAFMN C[N@H+]1CCc2cc(Cl)c([O-])cc2[C@H]2c3cccc(-c4cc(F)cc(F)c4)c3CC[C@@H]21 ZINC000045355154 563132517 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IKAFMN N[C@@H](CCc1ccccc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000061902417 563147769 /nfs/dbraw/zinc/14/77/69/563147769.db2.gz NWCNCPBWKMSUBJ-FQEVSTJZSA-N 0 1 444.560 6.212 3 0 IKAFMN Cc1cccnc1[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000061904853 563148276 /nfs/dbraw/zinc/14/82/76/563148276.db2.gz CDUAOFULRHOUCU-VWLOTQADSA-N 0 1 433.983 5.161 3 0 IKAFMN N[C@@H](Cc1ccc(F)cc1)c1csc(NC(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC000061905515 563148412 /nfs/dbraw/zinc/14/84/12/563148412.db2.gz ASEJWTLIHNZVEB-NRFANRHFSA-N 0 1 446.551 5.436 3 0 IKAFMN CC(C)c1ccccc1NC(=O)Nc1nc([C@H](N)Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000061907257 563148723 /nfs/dbraw/zinc/14/87/23/563148723.db2.gz XGDQASHXOSFDIP-QGZVFWFLSA-N 0 1 448.514 6.172 3 0 IKAFMN COc1ccc(C[C@@H](N)c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1 ZINC000061908485 563148980 /nfs/dbraw/zinc/14/89/80/563148980.db2.gz BSTUJGAMPLCRPN-JOCHJYFZSA-N 0 1 443.572 5.165 3 0 IKAFMN O=C(NCC1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2Cc1ccco1)c1ccncc1 ZINC000061921163 563149153 /nfs/dbraw/zinc/14/91/53/563149153.db2.gz JOXSSPOBISNYIG-RBJSKKJNSA-N 0 1 449.554 5.448 3 0 IKAFMN Clc1ccc(CN(CCn2ccnc2)CCn2ccnc2-c2ccccc2)c(Cl)c1 ZINC000064510215 563153942 /nfs/dbraw/zinc/15/39/42/563153942.db2.gz KQRHAQXYOXIUTO-UHFFFAOYSA-N 0 1 440.378 5.256 1 0 IKAFMN CSc1nc(-c2ccnc(NC(=O)C(F)=Cc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000064527138 563154499 /nfs/dbraw/zinc/15/44/99/563154499.db2.gz HINGSEQBRLWRIP-UYRXBGFRSA-N 0 1 448.498 5.949 1 0 IKAFMN Cc1ccc2[nH]c(-c3ccccc3)c(C=CC(c3ccccc3)=C3C(=O)NC(=O)NC3=O)c2c1 ZINC000064531828 563154866 /nfs/dbraw/zinc/15/48/66/563154866.db2.gz RUDLYMWAVVXZJH-BUHFOSPRSA-N 0 1 447.494 5.817 1 0 IKAFMN O=C1OC2(CN1c1ccccc1F)CCC(c1nc3ccc(OC(F)(F)F)cc3[nH]1)CC2 ZINC000064548876 563155500 /nfs/dbraw/zinc/15/55/00/563155500.db2.gz FFHHVAVTPWLQJT-UHFFFAOYSA-N 0 1 449.404 5.654 1 0 IKAFMN O=C1OC2(CN1c1cccc(F)n1)CCC(c1nc3ccc(C(F)(F)F)cc3[nH]1)CC2 ZINC000064559476 563156022 /nfs/dbraw/zinc/15/60/22/563156022.db2.gz CZTLAQBTSSYVJP-UHFFFAOYSA-N 0 1 434.393 5.169 1 0 IKAFMN Cc1ncccc1N1CC2(CCC(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)OC1=O ZINC000064573624 563156491 /nfs/dbraw/zinc/15/64/91/563156491.db2.gz BXUWIRFXQNUOEB-UHFFFAOYSA-N 0 1 446.429 5.218 1 0 IKAFMN O=C([O-])[C@@H]1CCC[N@@H+](CC/C=C(/c2ccccc2F)c2ccccc2Br)C1 ZINC000066258569 563160301 /nfs/dbraw/zinc/16/03/01/563160301.db2.gz DVLXIBNWLQXDTG-FCNRDGCESA-N 0 1 432.333 5.207 1 0 IKAFMN O=C(NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1)c1ccccc1 ZINC000072101504 563162695 /nfs/dbraw/zinc/16/26/95/563162695.db2.gz YEORLIJMLHGUGF-HSZRJFAPSA-N 0 1 439.481 5.084 1 0 IKAFMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@H](c1ccc(C)cc1)c1c(O)ccc2ccccc21 ZINC000072118342 563163764 /nfs/dbraw/zinc/16/37/64/563163764.db2.gz QBCJXCARNLEBSE-SANMLTNESA-N 0 1 438.502 5.961 1 0 IKAFMN COc1ccc(-c2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)co2)cc1 ZINC000072142309 563164734 /nfs/dbraw/zinc/16/47/34/563164734.db2.gz SIYCBHLSNHNUFB-UHFFFAOYSA-N 0 1 439.559 5.257 1 0 IKAFMN CC(C)(C)OC(=O)NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072142891 563164861 /nfs/dbraw/zinc/16/48/61/563164861.db2.gz GUGSPZGZKPVEFS-HXUWFJFHSA-N 0 1 435.490 5.179 1 0 IKAFMN Fc1ccc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1F ZINC000072185966 563168166 /nfs/dbraw/zinc/16/81/66/563168166.db2.gz SJKVFHRZIIRNIE-HSZRJFAPSA-N 0 1 431.889 5.500 1 0 IKAFMN Fc1ccccc1OC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072186296 563168301 /nfs/dbraw/zinc/16/83/01/563168301.db2.gz XBVPAFMFTNIRSV-HSZRJFAPSA-N 0 1 430.445 5.872 1 0 IKAFMN FC(F)(F)c1ccc([C@H](c2cccnc2)N2CCC(Oc3cccc(Cl)c3)CC2)cc1 ZINC000072186538 563168303 /nfs/dbraw/zinc/16/83/03/563168303.db2.gz IKQCMZKZSSCULQ-HSZRJFAPSA-N 0 1 446.900 6.387 1 0 IKAFMN Cc1ccc2nc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)cc3)[nH]c2c1 ZINC000073278247 563171722 /nfs/dbraw/zinc/17/17/22/563171722.db2.gz YJSYXVMIPSZHDT-UHFFFAOYSA-N 0 1 428.457 7.891 1 0 IKAFMN CCN1CC(=Cc2ccc(Cl)cc2)C2=NC(=S)N[C@H](c3ccc(Cl)cc3)C2C1 ZINC000073316851 563172497 /nfs/dbraw/zinc/17/24/97/563172497.db2.gz RXWPIGBFPHRQQY-MBNYPGIVSA-N 0 1 430.404 5.185 1 0 IKAFMN CCN1CC(=Cc2ccc(Cl)cc2)C2=NC(=S)N[C@@H](c3ccc(Cl)cc3)C2C1 ZINC000073316848 563172520 /nfs/dbraw/zinc/17/25/20/563172520.db2.gz RXWPIGBFPHRQQY-PRDNPTHXSA-N 0 1 430.404 5.185 1 0 IKAFMN Clc1cccc(N2CCCN(CCCOc3ccc4scnc4c3)CC2)c1Cl ZINC000095553137 563180959 /nfs/dbraw/zinc/18/09/59/563180959.db2.gz QVTRXUDCQFWWGV-UHFFFAOYSA-N 0 1 436.408 5.584 1 0 IKAFMN O=C(c1cccc2ccccc21)N(CCN1CC=C(c2ccccc2)CC1)c1ccccn1 ZINC000095554080 563181086 /nfs/dbraw/zinc/18/10/86/563181086.db2.gz NWFGLAPRAYASEM-UHFFFAOYSA-N 0 1 433.555 5.671 1 0 IKAFMN COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3O)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095576239 563185915 /nfs/dbraw/zinc/18/59/15/563185915.db2.gz LCVXUFKGARHCPF-NRFANRHFSA-N 0 1 441.314 5.699 1 0 IKAFMN COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3O)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095576240 563185940 /nfs/dbraw/zinc/18/59/40/563185940.db2.gz LCVXUFKGARHCPF-OAQYLSRUSA-N 0 1 441.314 5.699 1 0 IKAFMN Cc1cccc(-c2cc(Nc3ccc4nc(-c5ccc(F)cc5)cc(N)c4c3)nc(N)n2)c1 ZINC000095579426 563186998 /nfs/dbraw/zinc/18/69/98/563186998.db2.gz VGTPLDSCVJRGPN-UHFFFAOYSA-N 0 1 436.494 5.714 1 0 IKAFMN Cc1cccc(C)c1NC(=O)[C@H](c1cc2ccccc2o1)N1CCC(c2ccccc2)CC1 ZINC000095602040 563193035 /nfs/dbraw/zinc/19/30/35/563193035.db2.gz CRJBUTSTAXMPMP-NDEPHWFRSA-N 0 1 438.571 6.609 3 0 IKAFMN CCCCc1[nH+]cc(/C=C(\Cc2sccc2C)C(=O)[O-])n1Cc1ccccc1Cl ZINC000096178626 563196514 /nfs/dbraw/zinc/19/65/14/563196514.db2.gz MLWFVZZPDTYBOO-LDADJPATSA-N 0 1 428.985 6.008 1 0 IKAFMN CCN(CC)c1cc2[nH]c(-c3ccccc3OC)nc2cc1NC(=O)c1ccccc1OC ZINC000096928346 563198422 /nfs/dbraw/zinc/19/84/22/563198422.db2.gz MZCVAJFVNPTBKZ-UHFFFAOYSA-N 0 1 444.535 5.346 1 0 IKAFMN O=c1oc2c(c(O)c1[C@H](c1ccccc1)C1CC1)CCCCCC[C@H]2C[C@@H]1CCCCO1 ZINC000100712834 581098903 /nfs/dbraw/zinc/09/89/03/581098903.db2.gz XXSASKYQBJOXAE-WPFOTENUSA-N 0 1 436.592 6.437 1 0 IKAFMN O=c1oc2c(c(O)c1[C@H](c1ccccc1)C1CC1)CCCCCC[C@@H]2C[C@@H]1CCCCO1 ZINC000100712841 581098988 /nfs/dbraw/zinc/09/89/88/581098988.db2.gz XXSASKYQBJOXAE-AOHZBQACSA-N 0 1 436.592 6.437 1 0 IKAFMN O=C(CCCN1CCN(c2ccccc2F)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000028647170 132226070 /nfs/dbraw/zinc/22/60/70/132226070.db2.gz BBPPNEXSUKQFCZ-UHFFFAOYSA-N 0 1 444.765 5.327 1 0 IKAFMN Cc1nn2c(cccc2-c2ccc(F)cc2)c1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000013438665 132346864 /nfs/dbraw/zinc/34/68/64/132346864.db2.gz NSRMSZBPAQTJBS-UHFFFAOYSA-N 0 1 434.946 5.424 1 0 IKAFMN CC[C@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(c1nc(-c3ccc(OC)cc3)cs1)[NH2+]2 ZINC000016957500 522993043 /nfs/dbraw/zinc/99/30/43/522993043.db2.gz VJMQHCUMDADTEK-HGQUKEQDSA-N 0 1 425.476 5.072 2 0 IKAFMN [O-][C@@]1(C(F)(F)F)C2=C(CC[C@@H](c3ccccc3)C2)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000035999484 527681477 /nfs/dbraw/zinc/68/14/77/527681477.db2.gz YEJCZMYYHNDOTN-KGVIQGDOSA-N 0 1 443.494 5.821 2 0 IKAFMN COc1cc2oc3c(c(=O)c2c(O)c1C=CC(C)C)CCC(C)(C)Oc1cc(O)ccc1-3 ZINC000001566145 562923022 /nfs/dbraw/zinc/92/30/22/562923022.db2.gz BYSBNEYAFYNBMQ-SOFGYWHQSA-N 0 1 436.504 5.653 1 0 IKAFMN C[C@H](CC[C@H]1NC1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000006036463 562946007 /nfs/dbraw/zinc/94/60/07/562946007.db2.gz JDIKVIQXIGRCEN-ACRQZGJISA-N 0 1 441.744 7.263 1 0 IKAFMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597893 562954104 /nfs/dbraw/zinc/95/41/04/562954104.db2.gz SKTJVYWHOWWHIK-OAQYLSRUSA-N 0 1 437.971 5.140 1 0 IKAFMN CC(C)C[C@@]1(C)C(=O)NC(=O)c2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc21 ZINC000013475194 562988889 /nfs/dbraw/zinc/98/88/89/562988889.db2.gz STSXYWPNJGCBFG-OAQYLSRUSA-N 0 1 431.323 5.187 1 0 IKAFMN O=C(CCc1ccccc1)Nc1c2ccccc2ccc1C(O)(C(F)(F)F)C(F)(F)F ZINC000013489800 562989968 /nfs/dbraw/zinc/98/99/68/562989968.db2.gz JSUYWDFYYXKFOZ-UHFFFAOYSA-N 0 1 441.371 5.723 1 0 IKAFMN O=C(Nc1c2ccccc2ccc1C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1Cl ZINC000013489805 562990006 /nfs/dbraw/zinc/99/00/06/562990006.db2.gz PNKAHHOPMVBWPR-UHFFFAOYSA-N 0 1 447.762 6.058 1 0 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563026668 /nfs/dbraw/zinc/02/66/68/563026668.db2.gz LCSYHXZNEVCMEZ-SSEXGKCCSA-N 0 1 434.583 5.966 1 0 IKAFMN CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022939514 563026820 /nfs/dbraw/zinc/02/68/20/563026820.db2.gz PRARFSGCMXWAAS-MUUNZHRXSA-N 0 1 441.619 5.076 1 0 IKAFMN Cc1c(NC(=O)[C@@H](Sc2ccc3ccccc3c2)C(C)C)ccc2nc(N)nc(N)c12 ZINC000025970648 563027794 /nfs/dbraw/zinc/02/77/94/563027794.db2.gz PWTQBCOCKQEHQK-NRFANRHFSA-N 0 1 431.565 5.011 1 0 IKAFMN Clc1cccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)c1 ZINC000026568717 563033264 /nfs/dbraw/zinc/03/32/64/563033264.db2.gz KHGQUBQJPRFGKU-UHFFFAOYSA-N 0 1 446.982 5.474 1 0 IKAFMN Cc1cc(=O)oc2cc(SCc3[nH]nc4cccc(OCc5ccccc5)c43)ccc12 ZINC000026640609 563034374 /nfs/dbraw/zinc/03/43/74/563034374.db2.gz QPOXRROOBQZONU-UHFFFAOYSA-N 0 1 428.513 5.849 1 0 IKAFMN O=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N(Cc1cnc[nH]1)CC1CCCCC1 ZINC000026643838 563034481 /nfs/dbraw/zinc/03/44/81/563034481.db2.gz RMPIWQFGFXHWIX-UHFFFAOYSA-N 0 1 444.000 5.501 1 0 IKAFMN O=c1oc2cc([O-])ccc2c(-c2cccc(OCC[NH+]3CCCCC3)c2)c1-c1ccccc1 ZINC000027078947 563039045 /nfs/dbraw/zinc/03/90/45/563039045.db2.gz OGYBPNXQNAYUHY-UHFFFAOYSA-N 0 1 441.527 5.697 1 0 IKAFMN CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)[nH]c2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000027090215 563039280 /nfs/dbraw/zinc/03/92/80/563039280.db2.gz IRECZJUPOQSPQE-UHFFFAOYSA-N 0 1 435.254 5.473 1 0 IKAFMN CN1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000027181982 563040229 /nfs/dbraw/zinc/04/02/29/563040229.db2.gz NQHSMRHMUBKGPZ-BFUOFWGJSA-N 0 1 433.162 5.322 1 0 IKAFMN COc1cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(OC)c1 ZINC000027527087 563043357 /nfs/dbraw/zinc/04/33/57/563043357.db2.gz DCAGUAUHSOJEOX-VMPREFPWSA-N 0 1 443.587 5.515 1 0 IKAFMN COc1cc(C)cc(CO[C@@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027546819 563043435 /nfs/dbraw/zinc/04/34/35/563043435.db2.gz LAMLXQZWIGWWGU-URLMMPGGSA-N 0 1 427.588 5.815 1 0 IKAFMN CCCC[C@@H](C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1 ZINC000027554373 563043615 /nfs/dbraw/zinc/04/36/15/563043615.db2.gz SEQUVHJSOOJIMM-QHCPKHFHSA-N 0 1 449.079 5.307 1 0 IKAFMN O=C(OCc1ccccc1)N1CCN(Cc2cnc[nH]2)c2ccc(-c3ccccc3)cc2C1 ZINC000027562218 563044306 /nfs/dbraw/zinc/04/43/06/563044306.db2.gz OTYQLOYRZGZQKJ-UHFFFAOYSA-N 0 1 438.531 5.236 1 0 IKAFMN O=C1[C@@H](Cc2c[nH]c3ccccc23)CN(Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccccc12 ZINC000027562827 563044337 /nfs/dbraw/zinc/04/43/37/563044337.db2.gz RYSWOVLQLJFYGU-DQEYMECFSA-N 0 1 447.582 5.752 1 0 IKAFMN CC(C)(C)c1cc(I)c2c(c1)CNC1(O2)C2CC3CC(C2)CC1C3 ZINC000027654599 563045227 /nfs/dbraw/zinc/04/52/27/563045227.db2.gz SJXDSEYOLSBXGH-UHFFFAOYSA-N 0 1 437.365 5.223 1 0 IKAFMN Cc1cccc(N(CCCN2CCC(n3c4ccccc4[nH]c3=O)CC2)c2ccccc2)c1 ZINC000027657819 563045424 /nfs/dbraw/zinc/04/54/24/563045424.db2.gz MALHFNCDXJETCT-UHFFFAOYSA-N 0 1 440.591 5.503 1 0 IKAFMN C[C@@H]1CN(c2ccccc2Sc2ccc(-c3ccccc3)cc2)[C@@H](C)C[N@H+]1CC(=O)[O-] ZINC000028363717 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CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC(F)(F)F ZINC000028827119 563066590 /nfs/dbraw/zinc/06/65/90/563066590.db2.gz IJJLJNDXPKFYRZ-UHFFFAOYSA-N 0 1 435.446 5.202 1 0 IKAFMN Nc1n[nH]c2cncc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12 ZINC000029130064 563075482 /nfs/dbraw/zinc/07/54/82/563075482.db2.gz MNZGLNJCEGVMQR-UHFFFAOYSA-N 0 1 430.365 5.009 1 0 IKAFMN S=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1 ZINC000029404845 563079414 /nfs/dbraw/zinc/07/94/14/563079414.db2.gz FYCJSXFDVHDAEF-UHFFFAOYSA-N 0 1 437.981 6.059 1 0 IKAFMN O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC4)cc3[nH]2)cc1)c1ccccc1Cl ZINC000034892353 563088451 /nfs/dbraw/zinc/08/84/51/563088451.db2.gz URTBMZWXWYUQAM-UHFFFAOYSA-N 0 1 430.895 5.484 1 0 IKAFMN CCn1c2ccccc2c2cc(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)ccc21 ZINC000035064583 563089182 /nfs/dbraw/zinc/08/91/82/563089182.db2.gz LVVOXAOMQMRXFR-UHFFFAOYSA-N 0 1 444.940 5.286 1 0 IKAFMN O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCC4)cc3[nH]2)cc1)c1ccccc1Cl ZINC000038147883 563096438 /nfs/dbraw/zinc/09/64/38/563096438.db2.gz UGUHVOJNAPXDDU-UHFFFAOYSA-N 0 1 444.922 5.874 1 0 IKAFMN COc1cccc(CCc2ccccc2OCCCN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000040393587 563100228 /nfs/dbraw/zinc/10/02/28/563100228.db2.gz PGVXQVRAFUTSIL-UHFFFAOYSA-N 0 1 448.582 5.211 1 0 in-vitro IKAFMN O=S(=O)(CCC(F)(F)C(F)(F)F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000040632337 563105641 /nfs/dbraw/zinc/10/56/41/563105641.db2.gz KBXLDHXJUOHPRJ-UHFFFAOYSA-N 0 1 430.398 5.105 1 0 IKAFMN C/C(=C\CCC1=C[C@@H](O)OC1=O)CC/C=C(\C)CCC[C@@H](C)C=C1OC(=O)C(C)=C1O ZINC000040878869 563109649 /nfs/dbraw/zinc/10/96/49/563109649.db2.gz FIOHAOSLSHPVIU-MINGWGTDSA-N 0 1 430.541 5.320 1 0 IKAFMN C/C(=C\CCC1=C[C@H](O)OC1=O)CC/C=C(\C)CCC[C@@H](C)C=C1OC(=O)C(C)=C1O ZINC000040878865 563109685 /nfs/dbraw/zinc/10/96/85/563109685.db2.gz FIOHAOSLSHPVIU-FEGYXEQDSA-N 0 1 430.541 5.320 1 0 IKAFMN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccc(C(C)(C)C)cc3)c2)[nH]1 ZINC000040936083 563112749 /nfs/dbraw/zinc/11/27/49/563112749.db2.gz VHRJFSSFOYNUHL-UHFFFAOYSA-N 0 1 446.595 6.909 1 0 IKAFMN Brc1ccc(-c2nsc3cc(CCCCCN4CCOCC4)ccc32)cc1 ZINC000040935943 563112767 /nfs/dbraw/zinc/11/27/67/563112767.db2.gz CMTFYZXNPSNMTR-UHFFFAOYSA-N 0 1 445.426 5.771 1 0 IKAFMN CCOC(=O)N1CCC[C@H]1c1cc2nc(-c3ccccn3)[nH]c2cc1Oc1ccc(F)cc1 ZINC000043015754 563116832 /nfs/dbraw/zinc/11/68/32/563116832.db2.gz AKQRZCAKTSCFIF-QFIPXVFZSA-N 0 1 446.482 5.850 1 0 IKAFMN CCOC(=O)N1CCC[C@H]1c1cc2nc(-c3cccnc3)[nH]c2cc1Oc1ccc(F)cc1 ZINC000043021455 563117186 /nfs/dbraw/zinc/11/71/86/563117186.db2.gz XAAFFLZWYJXBHA-QFIPXVFZSA-N 0 1 446.482 5.850 1 0 IKAFMN CCOC(=O)N1CCC[C@H]1c1cc2nc(-c3ccccc3)[nH]c2cc1Oc1ccc(F)cc1 ZINC000043021201 563117193 /nfs/dbraw/zinc/11/71/93/563117193.db2.gz GBUHKHMECCYFOX-QHCPKHFHSA-N 0 1 445.494 6.455 1 0 IKAFMN CCC(=O)N1CCC[C@H]1c1cc2nc(-c3ccccn3)[nH]c2cc1Oc1ccc(F)cc1 ZINC000043020611 563117223 /nfs/dbraw/zinc/11/72/23/563117223.db2.gz ULSWPSNKIIZNJX-QFIPXVFZSA-N 0 1 430.483 5.630 1 0 IKAFMN COc1ccc(S(=O)(=O)Nc2scc(C)c2-c2nc3ccccc3s2)cc1OC ZINC000043022970 563117261 /nfs/dbraw/zinc/11/72/61/563117261.db2.gz ZWWBIKROGOOOOG-UHFFFAOYSA-N 0 1 446.575 5.151 1 0 IKAFMN Cc1csc(NS(=O)(=O)c2cccc(Cl)c2C)c1-c1nc2ccccc2s1 ZINC000043119691 563118764 /nfs/dbraw/zinc/11/87/64/563118764.db2.gz RDNCCXHSIJUBKB-UHFFFAOYSA-N 0 1 434.995 6.096 1 0 IKAFMN Cc1cccc(N2CC3(CCC(c4nc5ccc(OC(F)(F)F)cc5[nH]4)CC3)OC2=O)n1 ZINC000043200812 563119458 /nfs/dbraw/zinc/11/94/58/563119458.db2.gz LAPTUSDQWPEELF-UHFFFAOYSA-N 0 1 446.429 5.218 1 0 IKAFMN CC(C)Oc1ccc(-c2nc(-c3cccc4c3C[N@@H+](CCCC(=O)[O-])C4)no2)cc1Cl ZINC000043206617 563119624 /nfs/dbraw/zinc/11/96/24/563119624.db2.gz PVNSGOZBJZBKCA-UHFFFAOYSA-N 0 1 441.915 5.025 1 0 IKAFMN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1 ZINC000045168016 563122565 /nfs/dbraw/zinc/12/25/65/563122565.db2.gz CFCZRWBWIKPDDJ-NSYGIPOTSA-N 0 1 443.522 5.412 1 0 IKAFMN C[C@H](O)[C@H]1CCCCN1C(=O)c1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1 ZINC000045168018 563122603 /nfs/dbraw/zinc/12/26/03/563122603.db2.gz CFCZRWBWIKPDDJ-SSOJOUAXSA-N 0 1 443.522 5.412 1 0 IKAFMN Cc1cc(N[C@@H](CC(C)C)C(=O)NCc2cccc(F)c2)nc(NCC2CCCCC2)n1 ZINC000045187131 563122803 /nfs/dbraw/zinc/12/28/03/563122803.db2.gz GPVFGVBKLQWDMV-QFIPXVFZSA-N 0 1 441.595 5.059 1 0 IKAFMN Cc1nnsc1C(=O)Nc1ccc(-c2ccc(-c3nc4cccc(C)c4[nH]3)s2)cc1 ZINC000045191866 563123759 /nfs/dbraw/zinc/12/37/59/563123759.db2.gz JQFZBERDMHBUBH-UHFFFAOYSA-N 0 1 431.546 5.679 1 0 IKAFMN CC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)o1 ZINC000045201485 563124712 /nfs/dbraw/zinc/12/47/12/563124712.db2.gz PZMSBOCFHQQREM-UHFFFAOYSA-N 0 1 448.872 7.121 1 0 IKAFMN COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1CN1CCN(C)CC1 ZINC000045202865 563125035 /nfs/dbraw/zinc/12/50/35/563125035.db2.gz OXQYVNYPNXVJCC-UHFFFAOYSA-N 0 1 449.982 5.015 1 0 IKAFMN O=C(Nc1ccc(O[C@H]2CCN(Cc3ccsc3)C2)c(Cl)c1)c1ccc(F)cc1 ZINC000045202472 563125096 /nfs/dbraw/zinc/12/50/96/563125096.db2.gz BLXGHWCANIXPCW-IBGZPJMESA-N 0 1 430.932 5.446 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)C(=O)c5cccn5C)cc4)c3)[nH]c21 ZINC000045228741 563125740 /nfs/dbraw/zinc/12/57/40/563125740.db2.gz SSFXCNQPUPWBEH-UHFFFAOYSA-N 0 1 434.499 5.365 1 0 IKAFMN Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@@H]1CCN(Cc2ccco2)C1 ZINC000045301735 563129309 /nfs/dbraw/zinc/12/93/09/563129309.db2.gz INUJBOMTBYEIKV-HSZRJFAPSA-N 0 1 427.504 5.042 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)Cc5ccc[n+]([O-])c5)cc4)c3)[nH]c21 ZINC000045302155 563129380 /nfs/dbraw/zinc/12/93/80/563129380.db2.gz VTOAKZQZOHGZIZ-UHFFFAOYSA-N 0 1 434.499 5.020 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)c5cccc(C(N)=O)c5)cc4)c3)[nH]c21 ZINC000045322384 563130496 /nfs/dbraw/zinc/13/04/96/563130496.db2.gz BYSDEHFMQXWUNH-UHFFFAOYSA-N 0 1 446.510 5.557 1 0 IKAFMN Cc1cccc2nc(-c3ccc(-c4cccc(C(=O)N5CCCC[C@H]5[C@H](C)O)c4)s3)[nH]c21 ZINC000045334561 563131118 /nfs/dbraw/zinc/13/11/18/563131118.db2.gz FEONNFNUMJIIFV-UWJYYQICSA-N 0 1 445.588 5.642 1 0 IKAFMN Cc1cccc2nc(-c3ccc(-c4cccc(C(=O)N5CCCC[C@H]5[C@@H](C)O)c4)s3)[nH]c21 ZINC000045334557 563131120 /nfs/dbraw/zinc/13/11/20/563131120.db2.gz FEONNFNUMJIIFV-UTKZUKDTSA-N 0 1 445.588 5.642 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)C(C)(C)c5ccccn5)cc4)c3)[nH]c21 ZINC000045334676 563131180 /nfs/dbraw/zinc/13/11/80/563131180.db2.gz OKSMSEIOIDBQSX-UHFFFAOYSA-N 0 1 446.554 6.517 1 0 IKAFMN CN1c2ccc(OC(=O)NCC3CCCCC3)cc2[C@]2(C)CCN(CCc3ccccc3)[C@H]12 ZINC000049033710 563136073 /nfs/dbraw/zinc/13/60/73/563136073.db2.gz OSMWANBXVVPETF-XCZPVHLTSA-N 0 1 447.623 5.337 1 0 IKAFMN O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]21CCCCCC1=O ZINC000049125279 563138831 /nfs/dbraw/zinc/13/88/31/563138831.db2.gz QKIBAWPZFYWVCL-HTCHUFIESA-N 0 1 436.555 5.482 1 0 IKAFMN CC(C)N1CC2(CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000058502029 563143728 /nfs/dbraw/zinc/14/37/28/563143728.db2.gz IVIJESHEJVFCAI-OAQYLSRUSA-N 0 1 433.930 5.698 1 0 IKAFMN N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2Cl)n1 ZINC000061896102 563147355 /nfs/dbraw/zinc/14/73/55/563147355.db2.gz QNNNUFTUJNEHBA-CQSZACIVSA-N 0 1 440.878 5.702 3 0 IKAFMN COc1ccc(C[C@@H](N)c2csc(NC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 ZINC000061926869 563150053 /nfs/dbraw/zinc/15/00/53/563150053.db2.gz GFJCRDSTIDFPAZ-OAQYLSRUSA-N 0 1 444.560 5.705 3 0 IKAFMN CSc1nc(-c2ccnc(NC(=O)c3ccc(C)c(F)c3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000064513074 563154086 /nfs/dbraw/zinc/15/40/86/563154086.db2.gz ZNYUDLLUWJNBHW-UHFFFAOYSA-N 0 1 436.487 5.700 1 0 IKAFMN CN1CCC(C(=O)OCc2ccc3ccccc3c2)(c2ccc(Cl)c(Cl)c2)CC1 ZINC000064559056 563155893 /nfs/dbraw/zinc/15/58/93/563155893.db2.gz UHHMZXPWZFKHSN-UHFFFAOYSA-N 0 1 428.359 5.853 1 0 IKAFMN O=C(CCC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc2ccn3c2c(c1)CCC3=O ZINC000066101724 563158382 /nfs/dbraw/zinc/15/83/82/563158382.db2.gz RUSFDUFFEYGRCA-UHFFFAOYSA-N 0 1 434.967 5.756 1 0 IKAFMN O=C([O-])[C@@H]1CCC[N@@H+](CC/C=C(/c2ccccc2F)c2ccccc2OC(F)(F)F)C1 ZINC000066258570 563160279 /nfs/dbraw/zinc/16/02/79/563160279.db2.gz SQIPXGAJYDVRLC-FNTDYBJHSA-N 0 1 437.433 5.343 1 0 IKAFMN CC(C)c1ccc(C=C2CN(C)CC3C2=NC(=S)N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000071334404 563162529 /nfs/dbraw/zinc/16/25/29/563162529.db2.gz BUCKPVPECSLPLN-AQIZGWBQSA-N 0 1 431.649 5.735 1 0 IKAFMN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C[C@H](O)CSc1ccccc1C)CC2 ZINC000084690810 563176507 /nfs/dbraw/zinc/17/65/07/563176507.db2.gz OZMKKJGPXDCKLL-CUNXSJBXSA-N 0 1 449.616 5.113 1 0 IKAFMN COc1cc(O)c(C(=O)c2ccc(OCc3ccccc3)cc2)c(OCc2ccccc2)c1 ZINC000095577393 563186233 /nfs/dbraw/zinc/18/62/33/563186233.db2.gz WKCBYVWFVSCVPH-UHFFFAOYSA-N 0 1 440.495 5.790 1 0 IKAFMN O=C(c1ccc(C(F)(F)F)cc1)N1CCOc2ccc(-c3ccc4nc[nH]c4c3)cc2C1 ZINC000095590045 563189800 /nfs/dbraw/zinc/18/98/00/563189800.db2.gz CXWNDVAYTGMYND-UHFFFAOYSA-N 0 1 437.421 5.284 1 0 IKAFMN CCCCCCc1nc(=O)c2sc(-c3cn(Cc4ccccc4)c4ccccc34)cc2[nH]1 ZINC000096909360 563197759 /nfs/dbraw/zinc/19/77/59/563197759.db2.gz SQURPIZXQBOQSW-UHFFFAOYSA-N 0 1 441.600 6.777 1 0 IKAFMN CSc1nc(Nc2ccc3nc[nH]c3c2)nc(Nc2ccc3nc(C)cc(C)c3c2)n1 ZINC000098081942 563200479 /nfs/dbraw/zinc/20/04/79/563200479.db2.gz WMYUATNLWHZESU-UHFFFAOYSA-N 0 1 428.525 5.122 1 0 IKAFMN CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3n2)CC1 ZINC000004572042 535743187 /nfs/dbraw/zinc/74/31/87/535743187.db2.gz CAVCTOGSRWVGJI-UHFFFAOYSA-N 0 1 430.596 5.235 1 0 IKAFMN COc1ccc(-c2oc3c4c(cc([O-])c3c(=O)c2[C@@H](O)C=C(C)C)OC(C)(C)C=C4)cc1 ZINC000095909672 560059483 /nfs/dbraw/zinc/05/94/83/560059483.db2.gz AEULKVUZCRFRBV-SFHVURJKSA-N 0 1 434.488 5.358 1 0 biogenic,in-vitro IKAFMN COc1ccc(-c2oc3c4c(cc(=O)c-3c(O)c2[C@@H](O)C=C(C)C)OC(C)(C)C=C4)cc1 ZINC000095909672 560059485 /nfs/dbraw/zinc/05/94/85/560059485.db2.gz AEULKVUZCRFRBV-SFHVURJKSA-N 0 1 434.488 5.358 1 0 biogenic,in-vitro IKAFMN C=C1N=C(C)C(C(=O)OC)[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)C1C(=O)OC ZINC000001449295 562921967 /nfs/dbraw/zinc/92/19/67/562921967.db2.gz FQPPKTFEKVXRGZ-WENBPLFZSA-N 0 1 436.291 5.675 1 0 aggregator IKAFMN CCCCC1(CCCC)N[C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3ccccc3[nH]c21 ZINC000003940596 562939600 /nfs/dbraw/zinc/93/96/00/562939600.db2.gz FOBFICSYUINKAA-XMMPIXPASA-N 0 1 426.608 7.021 1 0 in-vitro IKAFMN CN1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000003982732 562940309 /nfs/dbraw/zinc/94/03/09/562940309.db2.gz NQHSMRHMUBKGPZ-ORAYPTAESA-N 0 1 433.162 5.322 1 0 IKAFMN C[NH+](C)CCOc1ccc(-c2cc(-c3ccc(Cl)c([O-])c3)c(-c3ccncc3)o2)cc1 ZINC000003988866 562940503 /nfs/dbraw/zinc/94/05/03/562940503.db2.gz CJHFEOLMYPLKDV-UHFFFAOYSA-N 0 1 434.923 5.975 1 0 IKAFMN C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005845023 562945077 /nfs/dbraw/zinc/94/50/77/562945077.db2.gz RGCPGGMPBRETQV-VRGOQYRISA-N 0 1 428.661 5.559 1 0 IKAFMN Cc1oc(-c2ccccc2C)nc1CN1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597792 562954084 /nfs/dbraw/zinc/95/40/84/562954084.db2.gz KRTUKSGRAZZDPW-HXUWFJFHSA-N 0 1 437.971 5.140 1 0 IKAFMN O=C(Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12)c1ccccc1Cl ZINC000008680126 562961414 /nfs/dbraw/zinc/96/14/14/562961414.db2.gz KQSKZCVAGGGWGX-UHFFFAOYSA-N 0 1 426.255 5.725 3 0 aggregator IKAFMN CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCC1)c1cccc(Cl)c1 ZINC000013446393 562986926 /nfs/dbraw/zinc/98/69/26/562986926.db2.gz SIZKUYOITMKTBV-FQEVSTJZSA-N 0 1 425.787 5.485 1 0 IKAFMN Cc1ccc2cccc(N3CCN(CC[C@@H](O)c4csc5ccc(F)cc54)CC3)c2n1 ZINC000013491146 562990395 /nfs/dbraw/zinc/99/03/95/562990395.db2.gz KJQSNZBBWNHIND-HSZRJFAPSA-N 0 1 435.568 5.143 1 0 IKAFMN CCCN(CCOC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1Cl ZINC000013584796 562995053 /nfs/dbraw/zinc/99/50/53/562995053.db2.gz WNTSNTVUEIQHMY-UHFFFAOYSA-N 0 1 430.980 5.120 1 0 IKAFMN O=C(NCCCCc1ccccc1)c1ccccc1CN[C@H]1CCCc2ccc(O)cc21 ZINC000013589134 562996143 /nfs/dbraw/zinc/99/61/43/562996143.db2.gz WAXRDAZDTSDCJJ-MHZLTWQESA-N 0 1 428.576 5.312 1 0 IKAFMN CN(Cc1ccc(COC(=O)[C@H](c2ccccc2)C2CCCCC2)o1)Cc1ccccc1 ZINC000013602002 562996877 /nfs/dbraw/zinc/99/68/77/562996877.db2.gz KCHRHVPNTVRPRT-HHHXNRCGSA-N 0 1 431.576 6.319 1 0 IKAFMN CCC[NH+](CCC)CCc1c[nH]c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc12 ZINC000013611745 562997846 /nfs/dbraw/zinc/99/78/46/562997846.db2.gz XHDVQKJVBJXDDG-UHFFFAOYSA-N 0 1 449.620 5.786 1 0 IKAFMN CC[NH+](CC)CCCc1c[nH]c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc12 ZINC000013611740 562997859 /nfs/dbraw/zinc/99/78/59/562997859.db2.gz YPQQPLDCWAKIGB-UHFFFAOYSA-N 0 1 435.593 5.396 1 0 IKAFMN CC[NH+](CC)CCc1c[nH]c2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc12 ZINC000013611735 562997884 /nfs/dbraw/zinc/99/78/84/562997884.db2.gz UIRIEFKMLBIEPD-UHFFFAOYSA-N 0 1 447.604 5.520 1 0 IKAFMN Cc1ccc(CN[C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)cc1 ZINC000013737268 563002494 /nfs/dbraw/zinc/00/24/94/563002494.db2.gz UYFJLIAMUDWHLY-HHHXNRCGSA-N 0 1 443.635 6.894 1 0 IKAFMN CCOc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000013740855 563003202 /nfs/dbraw/zinc/00/32/02/563003202.db2.gz ASPBVUBBCSOPSY-UHFFFAOYSA-N 0 1 440.515 5.217 1 0 IKAFMN CSc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000013740851 563003256 /nfs/dbraw/zinc/00/32/56/563003256.db2.gz BCKYZQRLPGBIMO-UHFFFAOYSA-N 0 1 442.556 5.540 1 0 IKAFMN COc1cc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc(OC)c1 ZINC000013744520 563003827 /nfs/dbraw/zinc/00/38/27/563003827.db2.gz DCAGUAUHSOJEOX-FQLXRVMXSA-N 0 1 443.587 5.515 1 0 IKAFMN CC(C)(C)OC(=O)Nc1ccc(-c2n[nH]c3ncnc(Nc4cccc(Cl)c4)c32)cc1 ZINC000013766068 563005607 /nfs/dbraw/zinc/00/56/07/563005607.db2.gz FDHOXGIXMNBPSE-UHFFFAOYSA-N 0 1 436.903 5.764 1 0 IKAFMN Nc1nc2cc(Cl)c(Cl)cc2n1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013779307 563006102 /nfs/dbraw/zinc/00/61/02/563006102.db2.gz IPWRKZPJEHZSNT-UHFFFAOYSA-N 0 1 428.163 6.011 1 0 IKAFMN Cc1cc(C)c(NC(=O)N(Cc2cnc(-c3ccccc3)[nH]2)C2CCCCCC2)c(C)c1 ZINC000013779963 563006318 /nfs/dbraw/zinc/00/63/18/563006318.db2.gz HOBVPCHQUHESRO-UHFFFAOYSA-N 0 1 430.596 6.759 1 0 IKAFMN O=S1(=O)c2ccccc2-c2ccccc2N1CCCN1CC=C(c2ccccc2)CC1 ZINC000013823459 563010286 /nfs/dbraw/zinc/01/02/86/563010286.db2.gz CUSNRDWDRXFUFH-UHFFFAOYSA-N 0 1 430.573 5.042 1 0 IKAFMN O=S1(=O)c2cccc3cccc(c23)N1CCCN1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000013826815 563010587 /nfs/dbraw/zinc/01/05/87/563010587.db2.gz ZAOJBQQNRCJZHT-UHFFFAOYSA-N 0 1 443.572 5.009 1 0 IKAFMN Cc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(-c2ccncc2)c(C)n1 ZINC000013826893 563010615 /nfs/dbraw/zinc/01/06/15/563010615.db2.gz NEOQAUFUNSIZIU-UHFFFAOYSA-N 0 1 434.503 5.187 1 0 IKAFMN CCCCC1(CCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3ccccc3[nH]c21 ZINC000013863921 563013459 /nfs/dbraw/zinc/01/34/59/563013459.db2.gz FOBFICSYUINKAA-DEOSSOPVSA-N 0 1 426.608 7.021 1 0 IKAFMN CCCCC1(CCCC)N[C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3ccccc3sc21 ZINC000013863934 563013501 /nfs/dbraw/zinc/01/35/01/563013501.db2.gz QAXGGGRUIVLNIN-HSZRJFAPSA-N 0 1 443.660 7.754 1 0 IKAFMN CC(C)Cn1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)cc21 ZINC000013983392 563014262 /nfs/dbraw/zinc/01/42/62/563014262.db2.gz BRWPFEGMAWRISZ-UHFFFAOYSA-N 0 1 443.501 6.277 1 0 IKAFMN O=C(C=Cc1ccccc1Cl)Nc1ccc2c(c1)N(O)C(=O)C2C(=O)c1ccccc1 ZINC000017969152 563022077 /nfs/dbraw/zinc/02/20/77/563022077.db2.gz IOBXTEVGZJYPFM-JLHYYAGUSA-N 0 1 432.863 5.121 1 0 IKAFMN Cc1ccc([C@H](OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925531 563025843 /nfs/dbraw/zinc/02/58/43/563025843.db2.gz YXBBKRPEQRPZSX-RZFDLJBBSA-N 0 1 426.604 5.432 1 0 IKAFMN Fc1ccc(/C=C/CN2CCN(CCO[C@@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000022925628 563025903 /nfs/dbraw/zinc/02/59/03/563025903.db2.gz WFJRJRXEODOZJG-WHIPERCESA-N 0 1 448.557 5.402 1 0 IKAFMN CN1CCN([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000022926933 563026071 /nfs/dbraw/zinc/02/60/71/563026071.db2.gz YMPYNBMELXUYDF-FQEVSTJZSA-N 0 1 446.435 5.230 1 0 IKAFMN Cc1ccc2c(cccc2OCCN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000022933649 563026325 /nfs/dbraw/zinc/02/63/25/563026325.db2.gz LBMUXQIIUJNCCP-UHFFFAOYSA-N 0 1 430.379 5.047 1 0 IKAFMN COc1cccc(/C=C/CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022939435 563026711 /nfs/dbraw/zinc/02/67/11/563026711.db2.gz ILQSYUPQZVZUKN-PKNBQFBNSA-N 0 1 442.603 5.132 1 0 IKAFMN Oc1c(Br)cc(Br)cc1-c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000026174921 563029471 /nfs/dbraw/zinc/02/94/71/563029471.db2.gz WPCGNEFBQSMNHC-UHFFFAOYSA-N 0 1 436.025 5.479 1 0 IKAFMN Cc1cc(OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026471839 563032135 /nfs/dbraw/zinc/03/21/35/563032135.db2.gz YZGWPRVNSBJADE-UHFFFAOYSA-N 0 1 430.592 5.103 1 0 IKAFMN CCCOc1ccc(-c2nc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)c(OCCC)c1 ZINC000026572927 563033461 /nfs/dbraw/zinc/03/34/61/563033461.db2.gz ZFXJKZPUDLCSGS-UHFFFAOYSA-N 0 1 447.966 7.037 1 0 IKAFMN CCc1cc(OCc2ccc(-c3ccc(C)cc3-c3nn[nH]n3)cc2)c2c(n1)CCCC2 ZINC000026577660 563033947 /nfs/dbraw/zinc/03/39/47/563033947.db2.gz YCHCSDRQYNIEBW-UHFFFAOYSA-N 0 1 425.536 5.257 1 0 IKAFMN Clc1cccc(N2CCN(C[C@@H]3C[C@@H]4c5ccccc5Cc5ccccc5[C@H]4O3)CC2)c1 ZINC000026663688 563035063 /nfs/dbraw/zinc/03/50/63/563035063.db2.gz VQILFXAHDTXCBG-HNPKZYAISA-N 0 1 445.006 5.680 1 0 IKAFMN c1[nH]c([C@@H]2Cc3c4ccccc4[nH]c3C3(N2)C2CC4CC(C2)CC3C4)nc1-c1ccccc1 ZINC000026823458 563037052 /nfs/dbraw/zinc/03/70/52/563037052.db2.gz TVVKGARVQPDXQJ-ULFTUBLDSA-N 0 1 434.587 6.096 1 0 IKAFMN C[C@@H](C(=O)N(C1CCCCC1)C(C)(C)C)C1(O)CCN(CCc2ccccc2Cl)CC1 ZINC000027553073 563043527 /nfs/dbraw/zinc/04/35/27/563043527.db2.gz GRXAFMRADLKXMO-FQEVSTJZSA-N 0 1 449.079 5.305 1 0 IKAFMN Fc1ccc([C@@H]2C[C@@H](N3CCN(C/C=C/c4ccccc4)CC3)c3cc(F)ccc32)cc1 ZINC000028009390 563049608 /nfs/dbraw/zinc/04/96/08/563049608.db2.gz WFWXLDOWSRFXSJ-FZOVNGNZSA-N 0 1 430.542 5.873 1 0 IKAFMN O=C(c1ccccc1)c1ccc2c(c1[O-])NC1(CCCCC1)[C@H]([NH2+]CC1CCCCC1)O2 ZINC000028125505 563051185 /nfs/dbraw/zinc/05/11/85/563051185.db2.gz TZXLMJRRPDIAEG-AREMUKBSSA-N 0 1 434.580 5.626 1 0 IKAFMN O=C([O-])C[C@H](c1cnc[nH]1)[N@@H+](CCc1ccc(F)cc1)Cc1ccc(-c2ccccc2)cc1 ZINC000028133334 563051476 /nfs/dbraw/zinc/05/14/76/563051476.db2.gz 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IKAFMN Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1N[C@H]1CCCc2ccccc21 ZINC000028522945 563056185 /nfs/dbraw/zinc/05/61/85/563056185.db2.gz JONSRNZJYAZYTE-KRWDZBQOSA-N 0 1 435.329 5.349 1 0 IKAFMN O=C1Nc2ccccc2[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000028568074 563058449 /nfs/dbraw/zinc/05/84/49/563058449.db2.gz NBWUEXRNUZNQAL-RUZDIDTESA-N 0 1 431.967 5.942 1 0 IKAFMN CC/C(=C(\c1ccccc1)c1ccc(OCCN2CCN(C)CC2)cc1)c1ccccc1 ZINC000028761932 563063800 /nfs/dbraw/zinc/06/38/00/563063800.db2.gz BNMSAIMWMCGZDO-ZIADKAODSA-N 0 1 426.604 5.682 1 0 IKAFMN O=C1O[C@@H](c2cccc3ccccc32)CN1C1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000028892470 563068502 /nfs/dbraw/zinc/06/85/02/563068502.db2.gz XIUZRJJVOTWZOZ-AREMUKBSSA-N 0 1 425.532 5.479 1 0 IKAFMN Nc1[nH]nc2nccc(-c3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)c12 ZINC000029129232 563075378 /nfs/dbraw/zinc/07/53/78/563075378.db2.gz KDFQAERRZQLBCW-UHFFFAOYSA-N 0 1 430.365 5.009 1 0 IKAFMN CC(C)Cn1cnc2ccc(-c3nc(-c4c(F)cccc4F)[nH]c3-c3ccccc3)nc21 ZINC000029130744 563075611 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1 443.374 5.809 1 0 IKAFMN O=C1NC[C@@H](c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCCC1)CC2 ZINC000040565680 563104858 /nfs/dbraw/zinc/10/48/58/563104858.db2.gz RDRVJQLAEXTGRZ-DEOSSOPVSA-N 0 1 438.562 5.510 1 0 IKAFMN COC1=C(C)C(=O)O/C1=C\[C@@H](C)CCC/C(C)=C/CC/C(C)=C/CCC1=CC(=O)O[C@@H]1O ZINC000040872556 563109007 /nfs/dbraw/zinc/10/90/07/563109007.db2.gz DDTMQYOTHOOUKC-NSFCHINISA-N 0 1 444.568 5.409 1 0 IKAFMN COC1=C(C)C(=O)O/C1=C\[C@@H](C)CCC/C(C)=C/CC/C(C)=C/CCC1=CC(=O)O[C@H]1O ZINC000040872560 563109038 /nfs/dbraw/zinc/10/90/38/563109038.db2.gz DDTMQYOTHOOUKC-BUXXRZTQSA-N 0 1 444.568 5.409 1 0 IKAFMN CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(C(C)(C)C)cc2)n3C)ccn1 ZINC000040898334 563110753 /nfs/dbraw/zinc/11/07/53/563110753.db2.gz BFYVTUFBMUDKGI-UHFFFAOYSA-N 0 1 429.524 5.161 1 0 IKAFMN CN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc7[nH]ccc7c6)ccc54)nc32)CC1 ZINC000040935110 563112583 /nfs/dbraw/zinc/11/25/83/563112583.db2.gz RNEFKROUXLVXSI-UHFFFAOYSA-N 0 1 447.546 5.006 1 0 IKAFMN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3cccc4ccccc43)c2)[nH]1 ZINC000040935941 563112740 /nfs/dbraw/zinc/11/27/40/563112740.db2.gz AHRXEPUOUQLFCZ-UHFFFAOYSA-N 0 1 440.547 6.765 1 0 IKAFMN CC(C)(C)c1ccc(-c2nc3c(cccc3N3CCN(Cc4ccsc4)CC3)[nH]2)cc1 ZINC000040954836 563114474 /nfs/dbraw/zinc/11/44/74/563114474.db2.gz VOGFTDCBTQHVEZ-UHFFFAOYSA-N 0 1 430.621 5.911 1 0 IKAFMN c1ccc(CCc2cc(NCc3ccccc3)nc(NCc3cccc4ccccc43)n2)cc1 ZINC000040954658 563114501 /nfs/dbraw/zinc/11/45/01/563114501.db2.gz KEONUTZWDPBRON-UHFFFAOYSA-N 0 1 444.582 6.639 1 0 IKAFMN O=C(c1ccc(F)cc1)C1CCN(C[C@@H]2Cc3oc(-c4ccccc4)cc3C(=O)C2)CC1 ZINC000040954907 563114568 /nfs/dbraw/zinc/11/45/68/563114568.db2.gz KUGRYKPJVWPSLO-SFHVURJKSA-N 0 1 431.507 5.426 1 0 IKAFMN CC(=O)Nc1ccc(S(=O)(=O)Nc2scc(C)c2-c2nc3ccccc3s2)cc1 ZINC000043067471 563117931 /nfs/dbraw/zinc/11/79/31/563117931.db2.gz QIHYRKPFOCEBBD-UHFFFAOYSA-N 0 1 443.575 5.092 1 0 IKAFMN Cc1csc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1-c1nc2ccccc2s1 ZINC000043076593 563118296 /nfs/dbraw/zinc/11/82/96/563118296.db2.gz TZMDFPKPVGWKJP-UHFFFAOYSA-N 0 1 442.631 6.432 1 0 IKAFMN COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1CN1CCN(C)CC1 ZINC000045187394 563122903 /nfs/dbraw/zinc/12/29/03/563122903.db2.gz FJHGFFBYNLRRMD-UHFFFAOYSA-N 0 1 449.982 5.015 1 0 IKAFMN CCc1ccc(CN2CCCC[C@H](NC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045188167 563122991 /nfs/dbraw/zinc/12/29/91/563122991.db2.gz PFYMINPRRIGVTI-QFIPXVFZSA-N 0 1 436.596 5.901 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4ccc(C(=O)N5CCCC[C@H]5[C@@H](C)O)cc4)c3)[nH]c21 ZINC000045190464 563123433 /nfs/dbraw/zinc/12/34/33/563123433.db2.gz BNMHAFOGEFUKGR-CLOONOSVSA-N 0 1 439.559 5.581 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4ccc(C(=O)N5CCCC[C@@H]5[C@H](C)O)cc4)c3)[nH]c21 ZINC000045190467 563123494 /nfs/dbraw/zinc/12/34/94/563123494.db2.gz BNMHAFOGEFUKGR-UQBPGWFLSA-N 0 1 439.559 5.581 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)c5ccc(C(N)=O)cc5)c4)c3)[nH]c21 ZINC000045190881 563123638 /nfs/dbraw/zinc/12/36/38/563123638.db2.gz HFOPGSMKCXKMTF-UHFFFAOYSA-N 0 1 446.510 5.557 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)[C@H](C)C(=O)NC(C)C)cc4)c3)[nH]c21 ZINC000045196429 563124564 /nfs/dbraw/zinc/12/45/64/563124564.db2.gz WLWVYNMFQQMRQH-GOSISDBHSA-N 0 1 440.547 5.305 1 0 IKAFMN Cc1cccc(CN2CCC(Oc3ccc(NC(=O)c4cccs4)cc3Cl)CC2)n1 ZINC000045196127 563124574 /nfs/dbraw/zinc/12/45/74/563124574.db2.gz YNVUYSMOFAQXMW-UHFFFAOYSA-N 0 1 441.984 5.401 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)[C@@H](C)C(=O)NC(C)C)cc4)c3)[nH]c21 ZINC000045196426 563124606 /nfs/dbraw/zinc/12/46/06/563124606.db2.gz WLWVYNMFQQMRQH-SFHVURJKSA-N 0 1 440.547 5.305 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)c5cnn6cccnc56)c4)c3)[nH]c21 ZINC000045201208 563124690 /nfs/dbraw/zinc/12/46/90/563124690.db2.gz PUONFLKERSHWJT-UHFFFAOYSA-N 0 1 444.498 5.500 1 0 IKAFMN CC(C)c1ccc(NC(=O)c2ccc(C(=O)N[C@H]3CCN(Cc4ccsc4)C3)cc2)cc1 ZINC000045202530 563125091 /nfs/dbraw/zinc/12/50/91/563125091.db2.gz MTIBQKRTTWKTAA-DEOSSOPVSA-N 0 1 447.604 5.128 1 0 IKAFMN Cc1cnc(C[S@@](=O)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1OCc1ccccc1 ZINC000045226671 563125437 /nfs/dbraw/zinc/12/54/37/563125437.db2.gz SBIIGFBBFMTJHL-HKBQPEDESA-N 0 1 445.466 5.172 1 0 IKAFMN Nc1nc2c(ccnc2-c2cc(Br)c(-c3ccc(-c4ccccc4)cc3)[nH]2)[nH]1 ZINC000045254746 563127135 /nfs/dbraw/zinc/12/71/35/563127135.db2.gz KKWUIAKNMKXRTR-UHFFFAOYSA-N 0 1 430.309 5.632 1 0 IKAFMN O=C(Nc1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1)c1ccoc1 ZINC000045315434 563129794 /nfs/dbraw/zinc/12/97/94/563129794.db2.gz DVJKJLNCGGPXRM-UHFFFAOYSA-N 0 1 428.891 5.368 1 0 IKAFMN C[C@H](O)[C@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1 ZINC000045322397 563130376 /nfs/dbraw/zinc/13/03/76/563130376.db2.gz ALMQNUTZOAEMHK-SSOJOUAXSA-N 0 1 443.522 5.412 1 0 IKAFMN C[C@@H](O)[C@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1 ZINC000045322400 563130425 /nfs/dbraw/zinc/13/04/25/563130425.db2.gz ALMQNUTZOAEMHK-CRICUBBOSA-N 0 1 443.522 5.412 1 0 IKAFMN C[C@H](O)[C@@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1 ZINC000045322391 563130492 /nfs/dbraw/zinc/13/04/92/563130492.db2.gz ALMQNUTZOAEMHK-GKVSMKOHSA-N 0 1 443.522 5.412 1 0 IKAFMN O=C(Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1)c1ccoc1 ZINC000045324438 563130900 /nfs/dbraw/zinc/13/09/00/563130900.db2.gz MGMNIWDSIVUQQI-UHFFFAOYSA-N 0 1 447.416 6.761 1 0 IKAFMN Cc1cccc2nc(-c3ccc(-c4cccc(C(=O)N5CCCC[C@@H]5[C@H](C)O)c4)s3)[nH]c21 ZINC000045334559 563131066 /nfs/dbraw/zinc/13/10/66/563131066.db2.gz FEONNFNUMJIIFV-LAUBAEHRSA-N 0 1 445.588 5.642 1 0 IKAFMN C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1 ZINC000045334904 563131148 /nfs/dbraw/zinc/13/11/48/563131148.db2.gz LFLWFUKVHCOBTD-GKVSMKOHSA-N 0 1 443.522 5.412 1 0 IKAFMN CC(C)(C[NH2+]Cc1ccccc1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000045337309 563131589 /nfs/dbraw/zinc/13/15/89/563131589.db2.gz PBMHQDDPVNKBPW-UHFFFAOYSA-N 0 1 432.955 5.565 1 0 IKAFMN CC(C)(C[NH2+]Cc1ccccc1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000045337309 563131590 /nfs/dbraw/zinc/13/15/90/563131590.db2.gz PBMHQDDPVNKBPW-UHFFFAOYSA-N 0 1 432.955 5.565 1 0 IKAFMN O=C(c1ccc(-c2ccc(Oc3ccccc3)cc2)o1)N1CCN(C2CCCCC2)CC1 ZINC000045497959 563134618 /nfs/dbraw/zinc/13/46/18/563134618.db2.gz KFDXUCLOXHOBAL-UHFFFAOYSA-N 0 1 430.548 5.829 1 0 IKAFMN O=C1NC(=O)[C@H](c2ccccc2-c2ccc(CC[C@@H]3N=CC(CC4CCCC4)=N3)cc2)S1 ZINC000049113218 563138483 /nfs/dbraw/zinc/13/84/83/563138483.db2.gz ZIJRQHVPSNVIQR-RPWUZVMVSA-N 0 1 445.588 5.742 1 0 IKAFMN O=C(Nc1ccc(N2CCCCC2)cc1)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000052569867 563140814 /nfs/dbraw/zinc/14/08/14/563140814.db2.gz YJPKAIVYJOQOBD-HSZRJFAPSA-N 0 1 435.959 5.233 1 0 IKAFMN Clc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(Cc3ccccc3)CC1)=N2 ZINC000053059306 563140906 /nfs/dbraw/zinc/14/09/06/563140906.db2.gz RSSMGSRSMMJJFG-UHFFFAOYSA-N 0 1 427.979 5.828 1 0 IKAFMN Clc1ccc(C2=CCc3ccccc3N=C2N2CCN(Cc3ccccc3)CC2)cc1 ZINC000053070703 563141062 /nfs/dbraw/zinc/14/10/62/563141062.db2.gz AFYMGUZZNYMVIP-UHFFFAOYSA-N 0 1 427.979 5.828 1 0 IKAFMN O=C(c1ccc(OC2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1)N1CCCCC1 ZINC000055212053 563142494 /nfs/dbraw/zinc/14/24/94/563142494.db2.gz HYOJVCBTNSJRHH-UHFFFAOYSA-N 0 1 446.513 5.375 3 0 IKAFMN COc1ccc(C[C@H](N)c2csc(NC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000061927420 563150216 /nfs/dbraw/zinc/15/02/16/563150216.db2.gz JLZWGSJGQXOFSY-INIZCTEOSA-N 0 1 436.459 5.057 3 0 IKAFMN O=C1CC(c2ccccc2)=NN1[C@@H]1C[C@@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000064274658 563152611 /nfs/dbraw/zinc/15/26/11/563152611.db2.gz FMSXPQBTIIAFPL-CVEARBPZSA-N 0 1 427.348 5.130 1 0 IKAFMN Cc1ccc(-c2nc3ncc(-c4nc5ccc(F)cc5[nH]4)cn3c2Nc2ccccc2)cc1 ZINC000066258291 563160303 /nfs/dbraw/zinc/16/03/03/563160303.db2.gz OVQHAPYOSXESQX-UHFFFAOYSA-N 0 1 434.478 6.131 1 0 IKAFMN CC(C)c1ccc(C=C2CN(C)CC3C2=NC(=S)N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000071334406 563162563 /nfs/dbraw/zinc/16/25/63/563162563.db2.gz BUCKPVPECSLPLN-ZDGAQAAHSA-N 0 1 431.649 5.735 1 0 IKAFMN Fc1cc(Cl)ccc1[C@H](NC1CCN(c2ccc(Cl)cc2)CC1)c1cccnc1 ZINC000072141212 563164604 /nfs/dbraw/zinc/16/46/04/563164604.db2.gz FPSXDXTVYXQEHB-HSZRJFAPSA-N 0 1 430.354 5.876 1 0 IKAFMN Cc1ccc2nc(-c3ccc(-c4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)cc3)[nH]c2c1 ZINC000073278250 563171756 /nfs/dbraw/zinc/17/17/56/563171756.db2.gz SHXZPOUGUMBZNW-UHFFFAOYSA-N 0 1 444.456 7.771 1 0 IKAFMN Cc1noc(C)c1-c1cc2[nH+]cc(C(=O)[O-])c(Nc3ccccc3C(C)(C)C)c2cc1C ZINC000084635701 563174754 /nfs/dbraw/zinc/17/47/54/563174754.db2.gz IXYWNGJVVYSFGD-UHFFFAOYSA-N 0 1 429.520 6.554 1 0 IKAFMN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C[C@H](O)CSc1ccc(C)cc1)CC2 ZINC000084671923 563175463 /nfs/dbraw/zinc/17/54/63/563175463.db2.gz SPLBZGDAJILIPX-CUNXSJBXSA-N 0 1 449.616 5.113 1 0 IKAFMN COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3O)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000095575619 563185704 /nfs/dbraw/zinc/18/57/04/563185704.db2.gz AUUPEWSGRRNKDN-QFIPXVFZSA-N 0 1 436.895 5.054 1 0 IKAFMN CC=C[C@@H]1[C@H]2C[C@@H](C)CC[C@@H]2C(C)=C[C@H]1c1[nH]nc2c1c(=O)[nH]cc2-c1ccc(O)cc1 ZINC000095576259 563185901 /nfs/dbraw/zinc/18/59/01/563185901.db2.gz VPEVORHGMIUPOG-RFKCMYLBSA-N 0 1 429.564 5.912 1 0 IKAFMN CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc3ccoc3n2)=N1 ZINC000095604441 563193719 /nfs/dbraw/zinc/19/37/19/563193719.db2.gz QHGKBEUNVIGBBZ-NRFANRHFSA-N 0 1 430.939 5.531 1 0 IKAFMN O=C(Nc1cccc(-c2nc3c(ncnc3Nc3ccc(F)cc3)[nH]2)c1)c1ccccc1F ZINC000095604702 563193827 /nfs/dbraw/zinc/19/38/27/563193827.db2.gz UQPCKMGBPRSDNF-UHFFFAOYSA-N 0 1 442.429 5.294 1 0 IKAFMN O=C(Nc1cc2nc(-c3cccs3)[nH]c2cc1N1CCCCC1)OCc1ccccc1 ZINC000096928347 563198337 /nfs/dbraw/zinc/19/83/37/563198337.db2.gz UAXZHNBBOPMNDA-UHFFFAOYSA-N 0 1 432.549 6.030 1 0 IKAFMN COc1ccccc1C(=O)Nc1cc2nc(-c3cccs3)[nH]c2cc1N1CCCCC1 ZINC000096928348 563198369 /nfs/dbraw/zinc/19/83/69/563198369.db2.gz UWJSOQBLVMHBRO-UHFFFAOYSA-N 0 1 432.549 5.543 1 0 IKAFMN CC(C)(C)[C@H]1CCCC2=C1[NH2+]N(c1nc(-c3ccc(F)cc3)cs1)[C@]2([O-])C(F)(F)F ZINC000035999493 518976670 /nfs/dbraw/zinc/97/66/70/518976670.db2.gz KKBBMOZXYZHLCD-AUSJPIAWSA-N 0 1 441.494 5.839 2 0 IKAFMN CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2F)c2c(n1)CCCC2 ZINC000000599878 562918573 /nfs/dbraw/zinc/91/85/73/562918573.db2.gz IFOUVXQJTBIQQW-UHFFFAOYSA-N 0 1 429.499 5.088 1 0 IKAFMN CCCCc1[nH+]cc(/C=C(\Cc2ccc(OC)cc2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000001552580 562922947 /nfs/dbraw/zinc/92/29/47/562922947.db2.gz UXBPVWAZTDUORJ-HMMYKYKNSA-N 0 1 438.955 5.647 1 0 IKAFMN Cc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(-c2ccccc2)c(C)n1 ZINC000001555026 562923024 /nfs/dbraw/zinc/92/30/24/562923024.db2.gz NZPOOSCEGSJCJK-UHFFFAOYSA-N 0 1 433.515 5.792 1 0 IKAFMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000004437217 562943365 /nfs/dbraw/zinc/94/33/65/562943365.db2.gz HRXOXIXMSYNCRK-HXUWFJFHSA-N 0 1 435.955 5.105 3 0 IKAFMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)N2CCc3ccccc32)C1 ZINC000004437213 562943396 /nfs/dbraw/zinc/94/33/96/562943396.db2.gz HRXOXIXMSYNCRK-FQEVSTJZSA-N 0 1 435.955 5.105 3 0 IKAFMN C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCCN5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000005845017 562945054 /nfs/dbraw/zinc/94/50/54/562945054.db2.gz RGCPGGMPBRETQV-UIICNSEESA-N 0 1 428.661 5.559 1 0 IKAFMN C[C@H](CC[C@@H]1NC1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000006036480 562946009 /nfs/dbraw/zinc/94/60/09/562946009.db2.gz JDIKVIQXIGRCEN-LCWRUPSGSA-N 0 1 441.744 7.263 1 0 IKAFMN C[C@H](CCc1ccc(O)cc1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000012031365 562980474 /nfs/dbraw/zinc/98/04/74/562980474.db2.gz MZGYISGPSJXIML-QGZVFWFLSA-N 0 1 446.572 5.590 1 0 IKAFMN CC(C)C[C@]1(C)C(=O)NC(=O)c2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc21 ZINC000013475195 562988871 /nfs/dbraw/zinc/98/88/71/562988871.db2.gz STSXYWPNJGCBFG-NRFANRHFSA-N 0 1 431.323 5.187 1 0 IKAFMN O=C(Nc1ccccc1CN1CCC(C(=O)c2ccccc2)CC1)Nc1cc(F)ccc1F ZINC000013475781 562989014 /nfs/dbraw/zinc/98/90/14/562989014.db2.gz VSABHQVLBAWRRF-UHFFFAOYSA-N 0 1 449.501 5.704 1 0 IKAFMN COc1cccc(C(=O)Nc2c3ccccc3ccc2C(O)(C(F)(F)F)C(F)(F)F)c1 ZINC000013489813 562990000 /nfs/dbraw/zinc/99/00/00/562990000.db2.gz RPRAUIIYWXDNOR-UHFFFAOYSA-N 0 1 443.343 5.413 1 0 IKAFMN C[S@](=O)c1ccc(CSc2nc(-c3ccnc(F)c3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000013524485 562991555 /nfs/dbraw/zinc/99/15/55/562991555.db2.gz OVGKZNZLNCRNCZ-SSEXGKCCSA-N 0 1 441.528 5.447 1 0 IKAFMN Fc1ccccc1O[C@H](CCN1CCN(c2nsc3ccccc32)CC1)c1ccccc1 ZINC000013530527 562992014 /nfs/dbraw/zinc/99/20/14/562992014.db2.gz GLTVVRJGWNLKEM-HSZRJFAPSA-N 0 1 447.579 5.768 1 0 IKAFMN Fc1ccccc1O[C@@H](CCN1CCN(c2nsc3ccccc32)CC1)c1ccccc1 ZINC000013530524 562992060 /nfs/dbraw/zinc/99/20/60/562992060.db2.gz GLTVVRJGWNLKEM-QHCPKHFHSA-N 0 1 447.579 5.768 1 0 IKAFMN CCCCCCOc1cc2oc(-c3ccccc3)cc(O)c-2c(=O)c1OCCCCCC ZINC000013584622 562994929 /nfs/dbraw/zinc/99/49/29/562994929.db2.gz WDTZUMGRHADNGT-UHFFFAOYSA-N 0 1 438.564 7.084 1 0 IKAFMN O=C(NCCCCc1ccccc1)c1ccccc1CN[C@H]1CCCc2c(O)cccc21 ZINC000013589135 562996136 /nfs/dbraw/zinc/99/61/36/562996136.db2.gz IZRABDBCSLKIOZ-SANMLTNESA-N 0 1 428.576 5.312 1 0 IKAFMN O=C([O-])c1ccc2c(c1)n(CC[NH+]1CCOCC1)c(-c1ccccc1)c2C1CCCCC1 ZINC000013609938 562997702 /nfs/dbraw/zinc/99/77/02/562997702.db2.gz PIQDYVXRDTXYLX-UHFFFAOYSA-N 0 1 432.564 5.386 1 0 IKAFMN CC[NH+](CC)CCc1c[nH]c2ccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12 ZINC000013611733 562997872 /nfs/dbraw/zinc/99/78/72/562997872.db2.gz QBEDVKUOBOOQJR-UHFFFAOYSA-N 0 1 440.396 5.160 1 0 IKAFMN CC(C)(C)c1ccc(C(=O)Nc2ccc(=O)c3c(O)cc(-c4cccc(Cl)c4)oc2-3)cc1 ZINC000013661142 562999690 /nfs/dbraw/zinc/99/96/90/562999690.db2.gz CPQKMQKBMFHBRX-UHFFFAOYSA-N 0 1 447.918 6.369 3 0 IKAFMN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NCc1ccccc1)c1ccccc1 ZINC000013737261 563002531 /nfs/dbraw/zinc/00/25/31/563002531.db2.gz MNLTXGNMKKIXGG-SANMLTNESA-N 0 1 429.608 6.586 1 0 IKAFMN Cc1noc(NS(=O)(=O)c2ccsc2/C=C/c2ccc(C)cc2)c1Br ZINC000013815737 563009257 /nfs/dbraw/zinc/00/92/57/563009257.db2.gz DAKTYJUJTJUDLB-BQYQJAHWSA-N 0 1 439.356 5.087 1 0 IKAFMN FC(F)(F)c1ccc(O[C@@H](CCN2CCN(c3ccccn3)CC2)c2ccccc2)cc1 ZINC000013861735 563012894 /nfs/dbraw/zinc/01/28/94/563012894.db2.gz BFUZKYZYAVZLHQ-QHCPKHFHSA-N 0 1 441.497 5.433 1 0 IKAFMN COc1cc2c3c(c1OC)-c1ccccc1[C@H]([C@@H](OC(C)=O)c1ccccc1)[C@@H]3N(C)CC2 ZINC000017193276 563021580 /nfs/dbraw/zinc/02/15/80/563021580.db2.gz IGRKHRUNPPEQNP-VJGNERBWSA-N 0 1 443.543 5.301 1 0 IKAFMN c1ccc(C(OCCN2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc2)cc1 ZINC000022938666 563026543 /nfs/dbraw/zinc/02/65/43/563026543.db2.gz WTXOULSDKRPSGE-UHFFFAOYSA-N 0 1 436.599 5.764 1 0 IKAFMN c1c2ccccc2sc1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022938616 563026575 /nfs/dbraw/zinc/02/65/75/563026575.db2.gz OFISADYWEOBLPB-UHFFFAOYSA-N 0 1 442.628 5.825 1 0 IKAFMN COc1cccc([C@H](c2ccc(C(C)(C)C)cc2)N2CCN(Cc3ccccc3)CC2)c1 ZINC000022939109 563026704 /nfs/dbraw/zinc/02/67/04/563026704.db2.gz POUSMXNITPRXFI-NDEPHWFRSA-N 0 1 428.620 5.900 1 0 IKAFMN Oc1cccc([C@H](c2ccc(-c3ccccc3)cc2)N2CCN(Cc3ccccc3)CC2)c1 ZINC000022939100 563026733 /nfs/dbraw/zinc/02/67/33/563026733.db2.gz LCSYHXZNEVCMEZ-PMERELPUSA-N 0 1 434.583 5.966 1 0 IKAFMN CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022939511 563026843 /nfs/dbraw/zinc/02/68/43/563026843.db2.gz PRARFSGCMXWAAS-NDEPHWFRSA-N 0 1 441.619 5.076 1 0 IKAFMN Cc1ccc(N[C@@H](C(=O)CCc2cnc[nH]2)c2ccccc2Br)c(Cl)c1 ZINC000026485207 563032318 /nfs/dbraw/zinc/03/23/18/563032318.db2.gz CKEWBVKRLQFWPT-HXUWFJFHSA-N 0 1 432.749 5.489 1 0 IKAFMN Fc1ccc(N2CCN(CCCOc3ccc4c(c3)[C@H](c3ccccc3)CC4)CC2)cc1 ZINC000026505209 563032891 /nfs/dbraw/zinc/03/28/91/563032891.db2.gz GOVKLLIITOGMRQ-MHZLTWQESA-N 0 1 430.567 5.495 1 0 IKAFMN CC(C)C(C(C)C)N(Cc1cnc[nH]1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000026658506 563034878 /nfs/dbraw/zinc/03/48/78/563034878.db2.gz VTCIHKOIVDQJJP-UHFFFAOYSA-N 0 1 446.016 5.602 1 0 IKAFMN C[S@](=O)c1ccc(O)c(CSc2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)c1 ZINC000027525664 563043287 /nfs/dbraw/zinc/04/32/87/563043287.db2.gz PLFOYPGRPXGVAE-SSEXGKCCSA-N 0 1 439.537 5.013 1 0 IKAFMN CC(C)(C)c1cc(I)c2c(c1)CNC1(CCC(C(C)(C)C)CC1)O2 ZINC000027651764 563045238 /nfs/dbraw/zinc/04/52/38/563045238.db2.gz IFBZMWVNXTXILL-UHFFFAOYSA-N 0 1 441.397 6.003 1 0 IKAFMN C=C1N=C(C)C(C(=O)OCC)[C@@H](c2c(C)onc2-c2ccc(Cl)cc2)C1C(=O)OCC ZINC000028091949 563050341 /nfs/dbraw/zinc/05/03/41/563050341.db2.gz VCENJVXHCPXPPN-RWVGPTSPSA-N 0 1 444.915 5.505 1 0 IKAFMN C=C1N=C(C)C(C(=O)OCC)[C@H](c2c(C)onc2-c2ccccc2Cl)C1C(=O)OCC ZINC000028091859 563050351 /nfs/dbraw/zinc/05/03/51/563050351.db2.gz OVMFQQOCAYEYGH-LCMCWVSWSA-N 0 1 444.915 5.505 1 0 IKAFMN Cc1ccc(COC(=O)NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 ZINC000028125657 563051210 /nfs/dbraw/zinc/05/12/10/563051210.db2.gz LYWORXBHRXQZHC-UHFFFAOYSA-N 0 1 427.525 6.457 1 0 IKAFMN O=[S@@](c1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)[nH]1)C(F)(F)C(F)F ZINC000028218654 563051632 /nfs/dbraw/zinc/05/16/32/563051632.db2.gz ZGONJEHTLGRUBC-HHHXNRCGSA-N 0 1 437.245 6.016 1 0 IKAFMN CC1CCC(OC(=O)NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)cs2)CC1 ZINC000028331153 563052577 /nfs/dbraw/zinc/05/25/77/563052577.db2.gz FJPIVKCTLWDBJM-UHFFFAOYSA-N 0 1 427.444 5.759 1 0 IKAFMN C[C@H]1C[N@@H+](CC(=O)[O-])[C@@H](C)CN1c1ccccc1Sc1ccc(-c2ccccc2)cc1 ZINC000028363722 563053528 /nfs/dbraw/zinc/05/35/28/563053528.db2.gz ZUESIWVTDPYSCL-PMACEKPBSA-N 0 1 432.589 5.488 1 0 IKAFMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(-c2cccs2)c1 ZINC000028529215 563057289 /nfs/dbraw/zinc/05/72/89/563057289.db2.gz AWAXPOLEGZALIG-FQEVSTJZSA-N 0 1 430.495 5.438 1 0 IKAFMN O=C(N[C@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1)c1cccc(-c2cccs2)c1 ZINC000028529619 563057369 /nfs/dbraw/zinc/05/73/69/563057369.db2.gz JGCWMKASUYCMGE-IBGZPJMESA-N 0 1 446.494 5.318 1 0 IKAFMN Cc1ccc(-c2csc(-c3nc4ccc(C=C5SC(=S)NC5=O)cc4[nH]3)c2)cc1C ZINC000028571822 563059389 /nfs/dbraw/zinc/05/93/89/563059389.db2.gz YNCBPGDLFXFYQN-UKWGHVSLSA-N 0 1 447.610 6.904 1 0 IKAFMN O=C(Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12)c1ccc(Cl)cc1 ZINC000028641846 563060379 /nfs/dbraw/zinc/06/03/79/563060379.db2.gz ZKFFLIQZUSVOLA-UHFFFAOYSA-N 0 1 426.255 5.725 1 0 IKAFMN CCCN[C@@H](c1c(Cl)cccc1Cl)[C@@H](NCCC)c1c(Cl)cccc1Cl ZINC000028764735 563064032 /nfs/dbraw/zinc/06/40/32/563064032.db2.gz ACPHZMSCUDSHAY-PMACEKPBSA-N 0 1 434.238 7.082 1 0 IKAFMN COc1cc(CN2CCC(Nc3nc4ccccc4s3)CC2)c(OC)c2ccccc12 ZINC000028827105 563066566 /nfs/dbraw/zinc/06/65/66/563066566.db2.gz SHNBMBLWIDSPMR-UHFFFAOYSA-N 0 1 433.577 5.543 1 0 IKAFMN COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3cccc(F)c3)oc21 ZINC000028877977 563067737 /nfs/dbraw/zinc/06/77/37/563067737.db2.gz DWQCDOMWXOBJOF-UHFFFAOYSA-N 0 1 447.506 5.823 1 0 IKAFMN CC(C)OCc1cccc2nc(-c3[nH]nc4ncc(-c5cncc6ccccc65)cc43)[nH]c21 ZINC000028950061 563069485 /nfs/dbraw/zinc/06/94/85/563069485.db2.gz SZVKQFOSCWNKPT-UHFFFAOYSA-N 0 1 434.503 5.641 1 0 IKAFMN C[N@@H+](CCOc1ccc(-c2ccc3c(c2)CCO3)cc1-c1ccccc1Cl)CC(=O)[O-] ZINC000028958426 563070637 /nfs/dbraw/zinc/07/06/37/563070637.db2.gz YJCIAODGCVLELU-UHFFFAOYSA-N 0 1 437.923 5.004 1 0 IKAFMN CC(C)Cn1cnc2ccc(-c3nc(-c4c(F)cccc4F)[nH]c3-c3ccccc3)cc21 ZINC000029130965 563075595 /nfs/dbraw/zinc/07/55/95/563075595.db2.gz FGRSPBXZSPTKJS-UHFFFAOYSA-N 0 1 428.486 6.695 1 0 IKAFMN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NCc1ccncc1)c1ccccc1 ZINC000029483311 563081258 /nfs/dbraw/zinc/08/12/58/563081258.db2.gz WVAIDDYLIPUXCC-VWLOTQADSA-N 0 1 430.596 5.981 1 0 IKAFMN CC1(C)CCc2c(O)c(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)c3c(c2O1)CCC(C)(C)O3 ZINC000034518600 563086370 /nfs/dbraw/zinc/08/63/70/563086370.db2.gz VHDMMDXMXHLWIF-CMDGGOBGSA-N 0 1 437.492 5.404 1 0 IKAFMN O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000034802133 563087584 /nfs/dbraw/zinc/08/75/84/563087584.db2.gz WOYPOZFCHPWOPA-UHFFFAOYSA-N 0 1 445.994 5.273 1 0 IKAFMN O=C1[C@H](Cc2ccccc2)NC/C=C\C[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000036382903 563094114 /nfs/dbraw/zinc/09/41/14/563094114.db2.gz SXRUKDFHOAYOJQ-DEVNVCHMSA-N 0 1 430.979 5.571 1 0 IKAFMN O=C1[C@H](Cc2ccccc2)NCCCC[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000036382913 563094120 /nfs/dbraw/zinc/09/41/20/563094120.db2.gz CTMLSBZWEYRJQJ-UIOOFZCWSA-N 0 1 432.995 5.795 3 0 IKAFMN O=C(Nc1ccc(-c2nc3ccc(NC(=O)[C@@H]4C[C@H]4F)cc3[nH]2)cc1)c1ccccc1Cl ZINC000038147880 563096389 /nfs/dbraw/zinc/09/63/89/563096389.db2.gz HRROEMZOJHVNNJ-IEBWSBKVSA-N 0 1 448.885 5.432 1 0 IKAFMN C/C(=C/CC[C@@H](C)C=C1OC(=O)C(C)=C1O)CC/C=C(/C)CCCC1=C[C@@H](O)OC1=O ZINC000040394328 563100379 /nfs/dbraw/zinc/10/03/79/563100379.db2.gz NIYLZGMUFLNCHW-IIEMSGQBSA-N 0 1 430.541 5.320 1 0 IKAFMN Brc1ccc(-c2nsc3cc(OCCCCN4CCOCC4)ccc32)cc1 ZINC000040420993 563102258 /nfs/dbraw/zinc/10/22/58/563102258.db2.gz HPERNTFNLJVDCD-UHFFFAOYSA-N 0 1 447.398 5.217 1 0 IKAFMN c1ccc(CNc2cc(CCc3cccc4ccccc43)nc(NCc3ccccc3)n2)cc1 ZINC000040422473 563102379 /nfs/dbraw/zinc/10/23/79/563102379.db2.gz AYELBUZRKFXXMX-UHFFFAOYSA-N 0 1 444.582 6.639 1 0 IKAFMN O=C1NC[C@H](c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCCCCC1)CC2 ZINC000040565682 563104860 /nfs/dbraw/zinc/10/48/60/563104860.db2.gz RDRVJQLAEXTGRZ-XMMPIXPASA-N 0 1 438.562 5.510 1 0 IKAFMN O=S(=O)(Nc1ccc2c(c1)ncn2-c1ccc2ccccc2c1)c1ccccc1Cl ZINC000040846401 563107513 /nfs/dbraw/zinc/10/75/13/563107513.db2.gz WXGWJXHGMTYKIF-UHFFFAOYSA-N 0 1 433.920 5.633 1 0 IKAFMN c1ccc(CCc2cc(NCc3cccc4ccccc43)nc(NCc3ccccc3)n2)cc1 ZINC000040955238 563114575 /nfs/dbraw/zinc/11/45/75/563114575.db2.gz WVYCMENSPOEWTC-UHFFFAOYSA-N 0 1 444.582 6.639 1 0 IKAFMN Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl ZINC000040955299 563114684 /nfs/dbraw/zinc/11/46/84/563114684.db2.gz KPLQQMQZQUMPCN-UHFFFAOYSA-N 0 1 444.406 5.913 1 0 IKAFMN Clc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl ZINC000040973903 563115090 /nfs/dbraw/zinc/11/50/90/563115090.db2.gz FUOMYSOASQSWCG-UHFFFAOYSA-N 0 1 430.379 5.523 1 0 IKAFMN CCCCC1(CCCC)OC(c2ccco2)=NN1C(=O)NC(=O)c1c(F)cccc1F ZINC000040977158 563115505 /nfs/dbraw/zinc/11/55/05/563115505.db2.gz OKPMQBANDNKRCT-UHFFFAOYSA-N 0 1 433.455 5.178 1 0 IKAFMN Cc1ccc(CNc2[nH+]c3cc(C(=O)[O-])ccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000043019528 563117057 /nfs/dbraw/zinc/11/70/57/563117057.db2.gz MFZPMGKERBFJRP-UHFFFAOYSA-N 0 1 439.437 5.722 1 0 IKAFMN O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(C(F)(F)F)cc1 ZINC000043019931 563117094 /nfs/dbraw/zinc/11/70/94/563117094.db2.gz CRGIXAUSRQUIKD-UHFFFAOYSA-N 0 1 440.493 5.844 1 0 IKAFMN COc1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2[C@@H]2CCCN2C(C)=O)cc1 ZINC000043120143 563118722 /nfs/dbraw/zinc/11/87/22/563118722.db2.gz GRQKQQXHGYBBAJ-QHCPKHFHSA-N 0 1 428.492 5.109 1 0 IKAFMN CC(C)(C)c1ccc(S(=O)(=O)Nc2sccc2-c2nc3ccccc3s2)cc1 ZINC000043121840 563118926 /nfs/dbraw/zinc/11/89/26/563118926.db2.gz FGXFYHLIZLRABT-UHFFFAOYSA-N 0 1 428.604 6.123 1 0 IKAFMN CN(C)c1ccc(-c2ccc(C(=O)NC3CCN(Cc4ccc(F)cc4)CC3)s2)cc1 ZINC000045167251 563122367 /nfs/dbraw/zinc/12/23/67/563122367.db2.gz IZGFZYBPONKRSQ-UHFFFAOYSA-N 0 1 437.584 5.015 1 0 IKAFMN CCC[C@H](C)Nc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(C)cc2)n1 ZINC000045167787 563122471 /nfs/dbraw/zinc/12/24/71/563122471.db2.gz MPYVVKMSBMNIBL-RDPSFJRHSA-N 0 1 445.611 5.034 1 0 IKAFMN NC(=O)c1cccc(CNCc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)c1 ZINC000045169065 563122761 /nfs/dbraw/zinc/12/27/61/563122761.db2.gz GXVXYMYECJNPMG-UHFFFAOYSA-N 0 1 432.527 5.286 1 0 IKAFMN CC(=O)N[C@H](C(=O)Nc1cccc(-c2ccc(-c3nc4cccc(C)c4[nH]3)s2)c1)C(C)C ZINC000045186508 563122797 /nfs/dbraw/zinc/12/27/97/563122797.db2.gz ANBOUKNWOMLHMW-QFIPXVFZSA-N 0 1 446.576 5.366 1 0 IKAFMN Cc1nnsc1C(=O)Nc1ccc(-c2cccc(-c3nc4cccc(C)c4[nH]3)c2)cc1 ZINC000045187715 563122994 /nfs/dbraw/zinc/12/29/94/563122994.db2.gz MISXBTLLQWVXBN-UHFFFAOYSA-N 0 1 425.517 5.618 1 0 IKAFMN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1 ZINC000045189555 563123342 /nfs/dbraw/zinc/12/33/42/563123342.db2.gz FNCBFJNJDPBZOU-NSYGIPOTSA-N 0 1 443.522 5.412 1 0 IKAFMN C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1 ZINC000045189552 563123347 /nfs/dbraw/zinc/12/33/47/563123347.db2.gz FNCBFJNJDPBZOU-GKVSMKOHSA-N 0 1 443.522 5.412 1 0 IKAFMN C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1 ZINC000045189561 563123371 /nfs/dbraw/zinc/12/33/71/563123371.db2.gz FNCBFJNJDPBZOU-CRICUBBOSA-N 0 1 443.522 5.412 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4ccc(C(=O)N5CCCC[C@H]5[C@H](C)O)cc4)c3)[nH]c21 ZINC000045190470 563123491 /nfs/dbraw/zinc/12/34/91/563123491.db2.gz BNMHAFOGEFUKGR-DFBJGRDBSA-N 0 1 439.559 5.581 1 0 IKAFMN Cc1cc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)nc(NCC2CCCCC2)n1 ZINC000045202261 563124960 /nfs/dbraw/zinc/12/49/60/563124960.db2.gz CTFUFHORHZVDMR-DEOSSOPVSA-N 0 1 443.595 5.439 1 0 IKAFMN CCC[NH2+]CCc1ccc([N-]S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)cc1 ZINC000045211024 563125314 /nfs/dbraw/zinc/12/53/14/563125314.db2.gz HMYZHYZPCPJAFR-UHFFFAOYSA-N 0 1 428.985 5.350 1 0 IKAFMN Cc1ccc(CNC(=O)[C@H](CC(C)C)Nc2cc(C)nc(NCC3CCCCC3)n2)cc1 ZINC000045229325 563125847 /nfs/dbraw/zinc/12/58/47/563125847.db2.gz IOUDKBPYRXBZCW-QHCPKHFHSA-N 0 1 437.632 5.229 1 0 IKAFMN C[NH+]1CCN(c2ccc(-c3cc(-c4ccncc4)c(-c4ccc(Cl)c([O-])c4)o3)cc2)CC1 ZINC000045231200 563126187 /nfs/dbraw/zinc/12/61/87/563126187.db2.gz NGFHEDSOVGLBHE-UHFFFAOYSA-N 0 1 445.950 5.786 1 0 IKAFMN CN1CC[C@@H](Oc2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2Cl)C1 ZINC000045301402 563129208 /nfs/dbraw/zinc/12/92/08/563129208.db2.gz UFDAKJBNFZVFBG-CYBMUJFWSA-N 0 1 448.272 5.739 1 0 IKAFMN Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)C(=O)c5cccn5C)c4)cc3)[nH]c21 ZINC000045301820 563129299 /nfs/dbraw/zinc/12/92/99/563129299.db2.gz ZUMNRAVROOROGX-UHFFFAOYSA-N 0 1 434.499 5.365 1 0 IKAFMN Oc1c(Cl)cc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1Cl ZINC000045302073 563129361 /nfs/dbraw/zinc/12/93/61/563129361.db2.gz QYOPUTAZJSBCQL-UHFFFAOYSA-N 0 1 439.302 6.769 1 0 IKAFMN O=C(NC1CCC(CCN2Cc3cccc(F)c3C2)CC1)c1cccc(-c2cccnc2)c1 ZINC000045302581 563129585 /nfs/dbraw/zinc/12/95/85/563129585.db2.gz KDZNBXCDLMGGAX-UHFFFAOYSA-N 0 1 443.566 5.582 1 0 IKAFMN Cc1cccc2nc(-c3ccc(-c4cccc(NC(=O)Nc5ccsc5)c4)s3)[nH]c21 ZINC000045321568 563130287 /nfs/dbraw/zinc/13/02/87/563130287.db2.gz VGEVKDOUPOBCKX-UHFFFAOYSA-N 0 1 430.558 6.972 1 0 IKAFMN C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1 ZINC000045334909 563131158 /nfs/dbraw/zinc/13/11/58/563131158.db2.gz LFLWFUKVHCOBTD-CRICUBBOSA-N 0 1 443.522 5.412 1 0 IKAFMN CN(C)c1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc([O-])c(Cl)cc3CC[N@@H+]2C)cc1 ZINC000045355728 563132606 /nfs/dbraw/zinc/13/26/06/563132606.db2.gz KMTWVLYZPPJEHR-AHKZPQOWSA-N 0 1 432.995 5.713 1 0 IKAFMN CN(C)c1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc([O-])c(Cl)cc3CC[N@H+]2C)cc1 ZINC000045355728 563132607 /nfs/dbraw/zinc/13/26/07/563132607.db2.gz KMTWVLYZPPJEHR-AHKZPQOWSA-N 0 1 432.995 5.713 1 0 IKAFMN O=C(Nc1ccc(N2CCCCC2)cc1)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000045372191 563133458 /nfs/dbraw/zinc/13/34/58/563133458.db2.gz YJPKAIVYJOQOBD-QHCPKHFHSA-N 0 1 435.959 5.233 1 0 IKAFMN Nc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc3ccc(Cl)cc3)cc2F)ccn1 ZINC000049115524 563138776 /nfs/dbraw/zinc/13/87/76/563138776.db2.gz 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XDVKQISJBHGFNA-UHFFFAOYSA-N 0 1 425.495 6.922 1 0 IKAFMN c1cc2cc(-c3nc4cc(-c5nc6ccc(-c7ccccc7)cc6[nH]5)ccc4[nH]3)ccc2[nH]1 ZINC000027846131 563047256 /nfs/dbraw/zinc/04/72/56/563047256.db2.gz XDVKQISJBHGFNA-UHFFFAOYSA-N 0 1 425.495 6.922 1 0 IKAFMN Cc1ccc(COC(=O)NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 ZINC000028129081 563051302 /nfs/dbraw/zinc/05/13/02/563051302.db2.gz FMBCNTQGGGDHCQ-UHFFFAOYSA-N 0 1 435.423 5.689 1 0 IKAFMN O=C([O-])C[C@@H](c1cnc[nH]1)[N@@H+](CCc1ccc(F)cc1)Cc1ccc(-c2ccccc2)cc1 ZINC000028133337 563051428 /nfs/dbraw/zinc/05/14/28/563051428.db2.gz LZKJDSUMNCVIKD-SANMLTNESA-N 0 1 443.522 5.477 1 0 IKAFMN O=C([O-])C[C@@H](c1c[nH]cn1)[N@H+](CCc1ccc(F)cc1)Cc1ccc(-c2ccccc2)cc1 ZINC000028133337 563051429 /nfs/dbraw/zinc/05/14/29/563051429.db2.gz LZKJDSUMNCVIKD-SANMLTNESA-N 0 1 443.522 5.477 1 0 IKAFMN O=C([O-])C[C@@H](c1c[nH]cn1)[N@@H+](CCc1ccc(F)cc1)Cc1ccc(-c2ccccc2)cc1 ZINC000028133337 563051430 /nfs/dbraw/zinc/05/14/30/563051430.db2.gz LZKJDSUMNCVIKD-SANMLTNESA-N 0 1 443.522 5.477 1 0 IKAFMN O=C([O-])C[C@H](c1cnc[nH]1)[N@@H+](CCc1cccs1)Cc1ccc(-c2ccccc2)cc1 ZINC000028341086 563052878 /nfs/dbraw/zinc/05/28/78/563052878.db2.gz KPDHBCNLGPTZNC-XMMPIXPASA-N 0 1 431.561 5.399 1 0 IKAFMN O=C([O-])C[C@H](c1c[nH]cn1)[N@H+](CCc1cccs1)Cc1ccc(-c2ccccc2)cc1 ZINC000028341086 563052879 /nfs/dbraw/zinc/05/28/79/563052879.db2.gz KPDHBCNLGPTZNC-XMMPIXPASA-N 0 1 431.561 5.399 1 0 IKAFMN O=C([O-])C[C@H](c1c[nH]cn1)[N@@H+](CCc1cccs1)Cc1ccc(-c2ccccc2)cc1 ZINC000028341086 563052880 /nfs/dbraw/zinc/05/28/80/563052880.db2.gz KPDHBCNLGPTZNC-XMMPIXPASA-N 0 1 431.561 5.399 1 0 IKAFMN Cc1ccc(-c2cc(-c3ccncc3)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1C ZINC000028474557 563055635 /nfs/dbraw/zinc/05/56/35/563055635.db2.gz FMPTVPXZDVRCKJ-UHFFFAOYSA-N 0 1 435.575 5.145 1 0 IKAFMN FC(F)(F)c1cnc(Nc2ccc(Br)cc2)nc1Nc1ccc2nc[nH]c2c1 ZINC000028523951 563056358 /nfs/dbraw/zinc/05/63/58/563056358.db2.gz LSGWJMLNFPIPPC-UHFFFAOYSA-N 0 1 449.234 5.621 1 0 IKAFMN Cc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000028527978 563057059 /nfs/dbraw/zinc/05/70/59/563057059.db2.gz MBPUUIPLJFELGF-UHFFFAOYSA-N 0 1 436.559 5.147 1 0 IKAFMN O=C(N[C@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1)c1ccc(-c2cccs2)cc1 ZINC000028529721 563057352 /nfs/dbraw/zinc/05/73/52/563057352.db2.gz RREAYXVIGCFJMU-IBGZPJMESA-N 0 1 446.494 5.318 1 0 IKAFMN COc1ccccc1CN1CCC(N2C(=O)Nc3ccccc3[C@H]2c2ccccc2)CC1 ZINC000028568004 563058398 /nfs/dbraw/zinc/05/83/98/563058398.db2.gz PSPIPEZWCFFHNP-AREMUKBSSA-N 0 1 427.548 5.297 1 0 IKAFMN CCCC[NH2+]Cc1cnc(C(C)C)n1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569232 563058738 /nfs/dbraw/zinc/05/87/38/563058738.db2.gz QXYFECIRUHQYAE-UHFFFAOYSA-N 0 1 437.428 5.198 1 0 IKAFMN O[C@H]1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)N2CCC1CC2 ZINC000028826464 563066459 /nfs/dbraw/zinc/06/64/59/563066459.db2.gz PTYANLIZLVUDFM-SOMWRMJPSA-N 0 1 441.344 5.019 1 0 IKAFMN COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccc(F)cc3)oc21 ZINC000028877983 563067772 /nfs/dbraw/zinc/06/77/72/563067772.db2.gz AEQWQMFTPTZZCH-UHFFFAOYSA-N 0 1 447.506 5.823 1 0 IKAFMN O=C1c2ccc([O-])cc2O[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000029215172 563076726 /nfs/dbraw/zinc/07/67/26/563076726.db2.gz INQOTYZWBQTUMF-IXCJQBJRSA-N 0 1 443.543 5.357 1 0 IKAFMN Oc1c(-c2n[nH]c(-c3ccc(Cl)c(Cl)c3)n2)cc(C(F)(F)F)cc1C(F)(F)F ZINC000029569063 563082808 /nfs/dbraw/zinc/08/28/08/563082808.db2.gz JJSWQSNPKISCGL-UHFFFAOYSA-N 0 1 442.146 6.189 1 0 IKAFMN CCC(=O)C(CCCOc1ccc(OCCCC(C(=O)CC)C(=O)CC)cc1)=C(O)CC ZINC000033494079 563084502 /nfs/dbraw/zinc/08/45/02/563084502.db2.gz IVDIUOLOWJOKPB-UHFFFAOYSA-N 0 1 446.584 5.153 1 0 IKAFMN O=S(=O)(CC(F)(F)F)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 ZINC000034077341 563085458 /nfs/dbraw/zinc/08/54/58/563085458.db2.gz WOSUEQAPJZGKGP-UHFFFAOYSA-N 0 1 435.254 5.387 1 0 IKAFMN CC[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000035920682 563090436 /nfs/dbraw/zinc/09/04/36/563090436.db2.gz OORQUPFVDYRXIS-CYBMUJFWSA-N 0 1 443.395 5.101 1 0 IKAFMN O=C(N[C@H](c1cccc(Br)c1)[C@@H]1CCCC=C1c1ccccc1)C(F)(F)F ZINC000036381925 563093846 /nfs/dbraw/zinc/09/38/46/563093846.db2.gz COWFXQAIUJJNAN-RTBURBONSA-N 0 1 438.287 6.052 3 0 IKAFMN CC(C)C(=O)Nc1ccc2nc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)[nH]c2c1 ZINC000038147884 563096442 /nfs/dbraw/zinc/09/64/42/563096442.db2.gz XCOFCEWPEWTFOM-UHFFFAOYSA-N 0 1 432.911 5.730 1 0 IKAFMN CC[C@@H]1CCCN1CN1C(=O)c2cccc3c4sc(-c5ccccc5)nc4cc(c32)C1=O ZINC000040423932 563102781 /nfs/dbraw/zinc/10/27/81/563102781.db2.gz FDDSLXCCTPEFEX-QGZVFWFLSA-N 0 1 441.556 5.544 1 0 IKAFMN CC(C)c1cc2c(cc1NC(=O)C[NH+]1CCCCC1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040428828 563103147 /nfs/dbraw/zinc/10/31/47/563103147.db2.gz NNHXFNBHRYWZDJ-XSBVVTFOSA-N 0 1 440.628 5.329 1 0 IKAFMN COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1O[C@@]12CC[N@@H+](C1)CCC2 ZINC000040567157 563105067 /nfs/dbraw/zinc/10/50/67/563105067.db2.gz JMLAROVVORWCQW-MHZLTWQESA-N 0 1 434.580 5.612 1 0 IKAFMN O=c1c(CCN2CCC(=C(c3ccccc3)c3ccc(F)cc3)CC2)cnc2sccn21 ZINC000040847170 563107592 /nfs/dbraw/zinc/10/75/92/563107592.db2.gz FYUAGWOYYOKPDP-UHFFFAOYSA-N 0 1 445.563 5.036 1 0 IKAFMN COC1=C(C)C(=O)O/C1=C\[C@H](C)CCC/C(C)=C/CC/C(C)=C/CCC1=CC(=O)O[C@H]1O ZINC000040872562 563109012 /nfs/dbraw/zinc/10/90/12/563109012.db2.gz DDTMQYOTHOOUKC-JGSQMBJMSA-N 0 1 444.568 5.409 1 0 IKAFMN CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(C)(C)C)c2)n3C)ccn1 ZINC000040895399 563110389 /nfs/dbraw/zinc/11/03/89/563110389.db2.gz SILANKVZJSUJHJ-UHFFFAOYSA-N 0 1 429.524 5.161 1 0 IKAFMN CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NCc3ccccc3)c2)[nH]1 ZINC000040934181 563112375 /nfs/dbraw/zinc/11/23/75/563112375.db2.gz ATAHCXJCJNXPJX-UHFFFAOYSA-N 0 1 440.494 6.492 1 0 IKAFMN O=C(c1ccc(F)cc1)C1CCN(C[C@H]2Cc3oc(-c4ccccc4)cc3C(=O)C2)CC1 ZINC000040954905 563114577 /nfs/dbraw/zinc/11/45/77/563114577.db2.gz KUGRYKPJVWPSLO-GOSISDBHSA-N 0 1 431.507 5.426 1 0 IKAFMN COc1cc(NCc2cnc[nH]2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000040974314 563115147 /nfs/dbraw/zinc/11/51/47/563115147.db2.gz AICBJENREFPANR-UHFFFAOYSA-N 0 1 428.414 5.698 1 0 IKAFMN CCCC[NH+](CCCC)CCCOc1cc(=O)c2c([O-])c(-c3ccc(O)cc3)coc-2c1 ZINC000040976634 563115355 /nfs/dbraw/zinc/11/53/55/563115355.db2.gz KLTMGMMQIGZVQS-UHFFFAOYSA-N 0 1 439.552 5.542 1 0 IKAFMN Cc1csc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1-c1nc2ccccc2s1 ZINC000043076668 563118288 /nfs/dbraw/zinc/11/82/88/563118288.db2.gz SFIJIHRGISVTNY-UHFFFAOYSA-N 0 1 438.958 5.927 1 0 IKAFMN Cc1csc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c1-c1nc2ccccc2s1 ZINC000043120176 563118807 /nfs/dbraw/zinc/11/88/07/563118807.db2.gz IRWVYRJFBSNSJB-UHFFFAOYSA-N 0 1 434.995 6.096 1 0 IKAFMN O=C(c1ccccc1-c1ccccc1)N1CCCN(Cc2ccc3cc(F)ccc3c2)CC1 ZINC000043122241 563119008 /nfs/dbraw/zinc/11/90/08/563119008.db2.gz RXVREQSWUAZTFH-UHFFFAOYSA-N 0 1 438.546 5.994 1 0 IKAFMN O=C(Nc1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1)c1ccccc1 ZINC000045167096 563122339 /nfs/dbraw/zinc/12/23/39/563122339.db2.gz ANXHBRNTSNYSTC-UHFFFAOYSA-N 0 1 438.930 5.775 1 0 IKAFMN COc1cc2nccc(Nc3ccc(OCc4ccc(NC(C)=O)cc4)cc3)c2cc1OC ZINC000045167978 563122463 /nfs/dbraw/zinc/12/24/63/563122463.db2.gz LHQUBDDYTRQULS-UHFFFAOYSA-N 0 1 443.503 5.533 1 0 IKAFMN COc1ccc(NC(=O)[C@H](CC(C)C)Nc2cc(C)nc(NCc3cccc(C)c3)n2)cc1 ZINC000045168096 563122567 /nfs/dbraw/zinc/12/25/67/563122567.db2.gz JYMYROZZCNQHGG-QHCPKHFHSA-N 0 1 447.583 5.179 1 0 IKAFMN CCc1ccc(CN2CCCC[C@@H](NC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045188170 563122975 /nfs/dbraw/zinc/12/29/75/563122975.db2.gz PFYMINPRRIGVTI-JOCHJYFZSA-N 0 1 436.596 5.901 1 0 IKAFMN Cc1nnsc1C(=O)Nc1cccc(-c2ccc(-c3nc4cccc(C)c4[nH]3)s2)c1 ZINC000045189953 563123373 /nfs/dbraw/zinc/12/33/73/563123373.db2.gz FQNPBDHARBCTTK-UHFFFAOYSA-N 0 1 431.546 5.679 1 0 IKAFMN C[NH+](C)CCOc1ccc(-c2cc(-c3ccc(Cl)c([O-])c3)c(-c3ccncc3)[nH]2)cc1 ZINC000045191428 563123746 /nfs/dbraw/zinc/12/37/46/563123746.db2.gz ZQBWDQSKGZBZBS-UHFFFAOYSA-N 0 1 433.939 5.710 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4cccc(NC(=O)Cc5ccc[n+]([O-])c5)c4)c3)[nH]c21 ZINC000045192361 563123825 /nfs/dbraw/zinc/12/38/25/563123825.db2.gz OLHMSCUKFKKZHV-UHFFFAOYSA-N 0 1 434.499 5.020 1 0 IKAFMN Cc1ccc(C(=O)Nc2ccc(Cl)c(N3CCN(CCc4ccccc4)CC3)c2)cc1 ZINC000045192703 563123848 /nfs/dbraw/zinc/12/38/48/563123848.db2.gz PHOWGDYRSJWLKV-UHFFFAOYSA-N 0 1 433.983 5.265 1 0 IKAFMN c1cc(CN2Cc3ccccc3OC3(CC[NH+](Cc4c[nH]c5cnccc45)CC3)C2)cs1 ZINC000045193606 563124104 /nfs/dbraw/zinc/12/41/04/563124104.db2.gz IKANJHQCKISFPB-UHFFFAOYSA-N 0 1 444.604 5.054 1 0 IKAFMN Cc1nnsc1C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1 ZINC000045194494 563124203 /nfs/dbraw/zinc/12/42/03/563124203.db2.gz JOUDTNVEXHSRDS-UHFFFAOYSA-N 0 1 435.509 5.510 1 0 IKAFMN O=C(Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1)c1c[nH]cn1 ZINC000045229939 563125925 /nfs/dbraw/zinc/12/59/25/563125925.db2.gz SMXUIJFESDMTDC-UHFFFAOYSA-N 0 1 447.420 5.891 1 0 IKAFMN COC1CCC(C(=O)Nc2ccc(-c3cccc(-c4nc5cccc(C)c5[nH]4)c3)cc2)CC1 ZINC000045230033 563126148 /nfs/dbraw/zinc/12/61/48/563126148.db2.gz UEGBAMOTFKZKQF-UHFFFAOYSA-N 0 1 439.559 6.349 1 0 IKAFMN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1 ZINC000045322394 563130389 /nfs/dbraw/zinc/13/03/89/563130389.db2.gz ALMQNUTZOAEMHK-NSYGIPOTSA-N 0 1 443.522 5.412 1 0 IKAFMN Cc1ccc(CNC(=O)[C@H](CC(C)C)Nc2cc(C)nc(NCc3ccccc3C)n2)cc1 ZINC000045323123 563130557 /nfs/dbraw/zinc/13/05/57/563130557.db2.gz PGXXKYRAGXDBGB-DEOSSOPVSA-N 0 1 445.611 5.157 1 0 IKAFMN CCc1ccc(CN2CC[C@H](NC(=O)c3cc(-c4ccc(N(C)C)cc4)cs3)C2)cc1 ZINC000045323244 563130686 /nfs/dbraw/zinc/13/06/86/563130686.db2.gz PCMMSRBAVJWIOY-QHCPKHFHSA-N 0 1 433.621 5.048 1 0 IKAFMN CNc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)cc1 ZINC000045324840 563130862 /nfs/dbraw/zinc/13/08/62/563130862.db2.gz FTJFHONKUPGDAL-UHFFFAOYSA-N 0 1 436.534 6.368 1 0 IKAFMN O=C(Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)c1ccoc1 ZINC000045324810 563130891 /nfs/dbraw/zinc/13/08/91/563130891.db2.gz JBHMBTQTRXYEHC-UHFFFAOYSA-N 0 1 447.416 6.761 1 0 IKAFMN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1 ZINC000045334906 563131198 /nfs/dbraw/zinc/13/11/98/563131198.db2.gz LFLWFUKVHCOBTD-NSYGIPOTSA-N 0 1 443.522 5.412 1 0 IKAFMN C[N@@H+]1CCc2cc(Cl)c([O-])cc2[C@H]2c3cccc(-c4ccc5[nH]ccc5c4)c3CC[C@@H]21 ZINC000045366585 563133048 /nfs/dbraw/zinc/13/30/48/563133048.db2.gz VABAVSCPQUXQLP-AHKZPQOWSA-N 0 1 428.963 6.129 1 0 IKAFMN C[N@H+]1CCc2cc(Cl)c([O-])cc2[C@H]2c3cccc(-c4ccc5[nH]ccc5c4)c3CC[C@@H]21 ZINC000045366585 563133049 /nfs/dbraw/zinc/13/30/49/563133049.db2.gz VABAVSCPQUXQLP-AHKZPQOWSA-N 0 1 428.963 6.129 1 0 IKAFMN COc1ccccc1CN1CCC(NC(=O)c2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000045366251 563133086 /nfs/dbraw/zinc/13/30/86/563133086.db2.gz BBMGJHDJJYFFMW-UHFFFAOYSA-N 0 1 440.996 5.472 1 0 IKAFMN O=C1OC2(CCC(c3nc4cc(-c5ccccc5)c(Cl)cc4[nH]3)CC2)c2ccccc21 ZINC000045506688 563134938 /nfs/dbraw/zinc/13/49/38/563134938.db2.gz GJAIVYBZNPYODK-UHFFFAOYSA-N 0 1 428.919 6.607 1 0 IKAFMN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C4NC(=N)O[C@@]45CCCC[C@]5(C)[C@H]3CC[C@]12C ZINC000049112203 563138306 /nfs/dbraw/zinc/13/83/06/563138306.db2.gz MEIRANBOFNPMBG-GWFFWOIYSA-N 0 1 426.689 7.069 1 0 IKAFMN Cc1ccccc1-n1c(=S)[nH]nc1Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000049116582 563138839 /nfs/dbraw/zinc/13/88/39/563138839.db2.gz KEDAOPIBANYTQB-UHFFFAOYSA-N 0 1 444.383 5.868 1 0 IKAFMN CCCCN(C)c1nc(NCc2ccccc2)c(C(=O)[O-])c(SCc2ccccc2)[nH+]1 ZINC000053314553 563142214 /nfs/dbraw/zinc/14/22/14/563142214.db2.gz FMYRQUPIDVJTCM-UHFFFAOYSA-N 0 1 436.581 5.316 1 0 IKAFMN CC[C@@H]1CN2CCc3c4ccccc4[nH]c3[C@H]2C[C@@H]1CC1=[NH+]CCc2c3ccccc3[nH]c21 ZINC000058494563 563143591 /nfs/dbraw/zinc/14/35/91/563143591.db2.gz DDSRFAMOWJZKMB-VXLXPWSCSA-N 0 1 436.603 6.030 1 0 IKAFMN O=C1c2cc(Cl)ccc2Oc2ccccc2C12CCN(CCCOc1ccccc1)CC2 ZINC000060051744 563146943 /nfs/dbraw/zinc/14/69/43/563146943.db2.gz DHLGVAVQSFJJFE-UHFFFAOYSA-N 0 1 447.962 6.131 1 0 IKAFMN N[C@H](Cc1ccc(Cl)cc1)c1csc(NC(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000061896987 563147533 /nfs/dbraw/zinc/14/75/33/563147533.db2.gz RKMFZHDUEWMPDC-HXUWFJFHSA-N 0 1 448.979 6.350 3 0 IKAFMN N[C@H](CCc1ccccc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000061902419 563147754 /nfs/dbraw/zinc/14/77/54/563147754.db2.gz NWCNCPBWKMSUBJ-HXUWFJFHSA-N 0 1 444.560 6.212 3 0 IKAFMN Cc1cccnc1[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000061904852 563148232 /nfs/dbraw/zinc/14/82/32/563148232.db2.gz CDUAOFULRHOUCU-RUZDIDTESA-N 0 1 433.983 5.161 3 0 IKAFMN COc1ccc(NC(=O)Nc2nc([C@@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000061906965 563148638 /nfs/dbraw/zinc/14/86/38/563148638.db2.gz MLIYVMWGGOYHEY-INIZCTEOSA-N 0 1 436.459 5.057 3 0 IKAFMN CC(C)c1ccccc1NC(=O)Nc1nc([C@@H](N)Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000061907258 563148729 /nfs/dbraw/zinc/14/87/29/563148729.db2.gz XGDQASHXOSFDIP-KRWDZBQOSA-N 0 1 448.514 6.172 3 0 IKAFMN COc1ccc(C[C@@H](N)c2csc(NC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000061927423 563150220 /nfs/dbraw/zinc/15/02/20/563150220.db2.gz JLZWGSJGQXOFSY-MRXNPFEDSA-N 0 1 436.459 5.057 3 0 IKAFMN O=C1CC(c2ccccc2)=NN1[C@H]1C[C@@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000064274659 563152607 /nfs/dbraw/zinc/15/26/07/563152607.db2.gz FMSXPQBTIIAFPL-HOTGVXAUSA-N 0 1 427.348 5.130 1 0 IKAFMN Cc1cccc(C)c1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 ZINC000064503535 563153863 /nfs/dbraw/zinc/15/38/63/563153863.db2.gz FSNOEGXMPUTDQI-UHFFFAOYSA-N 0 1 425.532 5.085 1 0 IKAFMN CSc1nc(-c2ccnc(NC(=O)c3cc4ccccc4o3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000064539052 563154957 /nfs/dbraw/zinc/15/49/57/563154957.db2.gz FLCDUKHYFHBVKY-UHFFFAOYSA-N 0 1 444.491 5.998 1 0 IKAFMN O=C1OC2(CN1c1ccccc1)CCC(c1nc3ccc(OC(F)(F)F)cc3[nH]1)CC2 ZINC000064548875 563155528 /nfs/dbraw/zinc/15/55/28/563155528.db2.gz KDNNOONPIUSODK-UHFFFAOYSA-N 0 1 431.414 5.515 1 0 IKAFMN COc1ccc([C@@H](c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(O)ccc3ccccc32)cc1 ZINC000072118252 563163749 /nfs/dbraw/zinc/16/37/49/563163749.db2.gz IWGCYALDYJWFJW-SANMLTNESA-N 0 1 436.511 5.522 1 0 IKAFMN Fc1ccccc1OC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072186295 563168277 /nfs/dbraw/zinc/16/82/77/563168277.db2.gz XBVPAFMFTNIRSV-QHCPKHFHSA-N 0 1 430.445 5.872 1 0 IKAFMN FC(F)(F)c1cccc(C(F)(F)F)c1-c1ccc2[nH]c(C=CC3CCCCC3)nc2c1 ZINC000073294624 563172008 /nfs/dbraw/zinc/17/20/08/563172008.db2.gz FJAIHRDKRKGFGE-FMIVXFBMSA-N 0 1 438.415 7.861 1 0 IKAFMN O=S1(=O)Nc2c(-c3ccc(Cl)cc3)nn(-c3cccc(F)c3)c2-c2ccccc21 ZINC000084670199 563175128 /nfs/dbraw/zinc/17/51/28/563175128.db2.gz CFIIWIIINHBOSA-UHFFFAOYSA-N 0 1 425.872 5.113 1 0 IKAFMN Cc1cccc(S(=O)(=O)Nc2cnc(Oc3cnc4ccccc4c3)c(Cl)c2)c1 ZINC000095573557 563185158 /nfs/dbraw/zinc/18/51/58/563185158.db2.gz UQHNHJXQLUFMAZ-UHFFFAOYSA-N 0 1 425.897 5.185 1 0 IKAFMN CN1C[C@H](c2ccccc2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095589838 563189815 /nfs/dbraw/zinc/18/98/15/563189815.db2.gz QNGSRZAVORFRJE-CPESWEKQSA-N 0 1 429.519 5.386 1 0 IKAFMN Cc1cccc(C)c1NC(=O)[C@@H](c1cc2ccccc2o1)N1CCC(c2ccccc2)CC1 ZINC000095602039 563193041 /nfs/dbraw/zinc/19/30/41/563193041.db2.gz CRJBUTSTAXMPMP-MUUNZHRXSA-N 0 1 438.571 6.609 3 0 IKAFMN CC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]23CC[C@@]1(C)[C@H]2[C@H]1[C@@H](C[C@@H]3C)C1(C)C ZINC000095911424 291397052 /nfs/dbraw/zinc/39/70/52/291397052.db2.gz OZWKDZYKDNCTPT-AZVSDANLSA-N 0 1 440.580 5.712 1 0 biogenic,in-vitro IKAFMN CCC[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@@]2(C)CC[C@@H]3[C@H](/C=C(/C)CC[C@H]12)C3(C)C ZINC000103580595 560051770 /nfs/dbraw/zinc/05/17/70/560051770.db2.gz LZDASMNEKHYMBI-SSGJUDJGSA-N 0 1 440.580 6.166 1 0 biogenic,in-vitro IKAFMN CC1=C2C[C@@]34[C@@H]5C6=C(CC=C6C[C@]3(C)[C@]2(CC1)[C@H](C)CC41CCCC1)C[C@@H]1CCC[C@@]12C[N@H+]52 ZINC000085548126 560072161 /nfs/dbraw/zinc/07/21/61/560072161.db2.gz YDRHBDDTJPOUJF-RCNQTEOJSA-N 0 1 441.703 7.737 1 0 biogenic,in-vitro IKAFMN COc1cc(-c2cc(O)c3c(=O)cc4c(c-3o2)C[C@@H]2[C@@H](CCCC2(C)C)CO4)ccc1O ZINC000033829730 560088995 /nfs/dbraw/zinc/08/89/95/560088995.db2.gz BEKKBGJECYLADF-DOTOQJQBSA-N 0 1 436.504 5.257 1 0 biogenic,in-vitro IKAFMN C[S@](=O)c1ccc(-c2nc(-c3ccnc4ccccc43)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000000833195 562919277 /nfs/dbraw/zinc/91/92/77/562919277.db2.gz RXGCJIGYVLKTIO-WJOKGBTCSA-N 0 1 427.504 5.835 1 0 IKAFMN O=C(CCCCCCCOc1ncc(Cc2cccnc2)c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000006142671 562946311 /nfs/dbraw/zinc/94/63/11/562946311.db2.gz PTFRGUTVLMFZIO-UHFFFAOYSA-N 0 1 439.943 5.424 1 0 IKAFMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000006577797 562947854 /nfs/dbraw/zinc/94/78/54/562947854.db2.gz FEMYEHRTPZWLCN-UHFFFAOYSA-N 0 1 449.982 5.100 3 0 IKAFMN O=C1NC(=O)[C@@H](c2ccc(OCCCOc3ccc(Oc4ccccc4)cc3)cc2)S1 ZINC000013489932 562990120 /nfs/dbraw/zinc/99/01/20/562990120.db2.gz PRNUTUAJBKBRMG-JOCHJYFZSA-N 0 1 435.501 5.351 1 0 IKAFMN CCOc1cc2nc(CN)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490828 562990267 /nfs/dbraw/zinc/99/02/67/562990267.db2.gz KZIIYQLZCQFDPE-UHFFFAOYSA-N 0 1 435.553 5.061 1 0 IKAFMN C[S@](=O)c1ccc(CSc2nc(-c3ccncc3)c(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000013491672 562990506 /nfs/dbraw/zinc/99/05/06/562990506.db2.gz BXPRVORBTUKYAU-GDLZYMKVSA-N 0 1 439.993 5.822 1 0 IKAFMN O=C(CCCCCN1CCN(c2ccccc2Cl)CC1)N[C@H]1CCCc2ccccc21 ZINC000013586572 562995494 /nfs/dbraw/zinc/99/54/94/562995494.db2.gz OVYNZBZCWFALNG-DEOSSOPVSA-N 0 1 440.031 5.216 1 0 IKAFMN O=C(NCCCCc1ccccc1)c1ccccc1CN[C@@H]1CCCc2c(O)cccc21 ZINC000013589136 562996164 /nfs/dbraw/zinc/99/61/64/562996164.db2.gz IZRABDBCSLKIOZ-AREMUKBSSA-N 0 1 428.576 5.312 1 0 IKAFMN C[C@@H]1c2cc(O)ccc2CCN1Cc1ccccc1C(=O)NCC/C=C/c1ccccc1 ZINC000013589145 562996298 /nfs/dbraw/zinc/99/62/98/562996298.db2.gz RRGITTGLGFGTJZ-FTUXVVSKSA-N 0 1 426.560 5.345 1 0 IKAFMN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NCc1cccnc1)c1ccccc1 ZINC000013737288 563002525 /nfs/dbraw/zinc/00/25/25/563002525.db2.gz XXQAELFWFGIAAW-RUZDIDTESA-N 0 1 430.596 5.981 1 0 IKAFMN COc1ccc(C(=O)c2c(C)n(CCCCCCN3CCOCC3)c3ccccc32)cc1 ZINC000013820978 563010021 /nfs/dbraw/zinc/01/00/21/563010021.db2.gz MVRWCVWBFVDYST-UHFFFAOYSA-N 0 1 434.580 5.082 1 0 IKAFMN CCCCCCc1[nH+]cc(/C=C(\Cc2cccs2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000013831920 563011221 /nfs/dbraw/zinc/01/12/21/563011221.db2.gz CDDGQRYTLBQTCJ-XMHGGMMESA-N 0 1 443.012 6.480 1 0 IKAFMN O=C([O-])c1ccc2c(c1)[C@@H](SCC[N@H+]1CCc3ccccc3C1)c1ccccc1CO2 ZINC000013861362 563012674 /nfs/dbraw/zinc/01/26/74/563012674.db2.gz QFSZUFOLEYHTBT-VWLOTQADSA-N 0 1 431.557 5.158 1 0 IKAFMN FC(F)(F)c1cc(Nc2nc3cc(Oc4ccnc5[nH]ccc54)ccc3[nH]2)ccc1Cl ZINC000014965235 563016380 /nfs/dbraw/zinc/01/63/80/563016380.db2.gz PKKYJYFGTICOFP-UHFFFAOYSA-N 0 1 443.816 6.647 1 0 IKAFMN CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)c(C)n1 ZINC000015069391 563017584 /nfs/dbraw/zinc/01/75/84/563017584.db2.gz FNZIQFHZOIRQGG-UHFFFAOYSA-N 0 1 436.987 5.383 3 0 IKAFMN O=C(NCc1cccs1)c1cccc(Nc2nc3ccc(Br)cc3[nH]2)c1 ZINC000015974463 563020618 /nfs/dbraw/zinc/02/06/18/563020618.db2.gz TZRYOVKPUJBBEZ-UHFFFAOYSA-N 0 1 427.327 5.061 3 0 IKAFMN CCN1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000016957788 563021147 /nfs/dbraw/zinc/02/11/47/563021147.db2.gz OJDYOYOACQNEAI-VLIAUNLRSA-N 0 1 447.189 5.713 1 0 IKAFMN Fc1ccc(/C=C/CN2CCN(CCO[C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000022925632 563025936 /nfs/dbraw/zinc/02/59/36/563025936.db2.gz WFJRJRXEODOZJG-ZVCCROTOSA-N 0 1 448.557 5.402 1 0 IKAFMN c1ccc(C(OCCN2CCN(Cc3ccc4ncccc4c3)CC2)c2ccccc2)cc1 ZINC000022938655 563026567 /nfs/dbraw/zinc/02/65/67/563026567.db2.gz WKFITCNCHMQXOA-UHFFFAOYSA-N 0 1 437.587 5.159 1 0 IKAFMN COc1cccc([C@@H](c2ccc(C(C)(C)C)cc2)N2CCN(Cc3ccccc3)CC2)c1 ZINC000022939112 563026740 /nfs/dbraw/zinc/02/67/40/563026740.db2.gz POUSMXNITPRXFI-MUUNZHRXSA-N 0 1 428.620 5.900 1 0 IKAFMN CCCCc1nc2ccccc2n1Cc1cc(Br)c(O)c(Br)c1 ZINC000026271806 563030435 /nfs/dbraw/zinc/03/04/35/563030435.db2.gz DWLRJPFONCNEGY-UHFFFAOYSA-N 0 1 438.163 5.658 1 0 IKAFMN Cc1ccc(N[C@H](C(=O)CCc2cnc[nH]2)c2ccccc2Br)c(Cl)c1 ZINC000026485214 563032325 /nfs/dbraw/zinc/03/23/25/563032325.db2.gz CKEWBVKRLQFWPT-FQEVSTJZSA-N 0 1 432.749 5.489 1 0 IKAFMN CC[NH+](CC)CCOc1ccc(/C(=C(\c2ccccc2)[N+](=O)[O-])c2ccc([O-])cc2)cc1 ZINC000026503927 563032875 /nfs/dbraw/zinc/03/28/75/563032875.db2.gz LGGKBFLJEJWIPS-OCEACIFDSA-N 0 1 432.520 5.306 1 0 IKAFMN CCN(CC)Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc21 ZINC000026572641 563033470 /nfs/dbraw/zinc/03/34/70/563033470.db2.gz MKFBBNGWCLZUCO-QHCPKHFHSA-N 0 1 441.594 6.669 1 0 IKAFMN Clc1ccc(N2CCN(CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cc1 ZINC000026575057 563033544 /nfs/dbraw/zinc/03/35/44/563033544.db2.gz BMPOKXVXNLPKTD-UHFFFAOYSA-N 0 1 446.982 5.474 1 0 IKAFMN CCc1cc(OCc2ccc(-c3ccc(Cl)cc3-c3nn[nH]n3)cc2)c2c(n1)CCCC2 ZINC000026577452 563033824 /nfs/dbraw/zinc/03/38/24/563033824.db2.gz MOVBBJNZSSHGBF-UHFFFAOYSA-N 0 1 445.954 5.602 1 0 IKAFMN Clc1cccc(N2CCN(C[C@H]3C[C@@H]4c5ccccc5Cc5ccccc5[C@H]4O3)CC2)c1 ZINC000026663693 563035101 /nfs/dbraw/zinc/03/51/01/563035101.db2.gz VQILFXAHDTXCBG-RYRVMRHHSA-N 0 1 445.006 5.680 1 0 IKAFMN COc1ccc(/C=C2\CN(C)C[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000026747215 563036417 /nfs/dbraw/zinc/03/64/17/563036417.db2.gz ZGZNFZMNAFLLAL-IGNCZNKDSA-N 0 1 439.559 5.266 1 0 IKAFMN CCc1cccc(N(C)C(=N)Nc2cc(CC)cc(OC(F)(F)F)c2Br)c1 ZINC000027425374 563042227 /nfs/dbraw/zinc/04/22/27/563042227.db2.gz JXNYGZWEIWUZEZ-UHFFFAOYSA-N 0 1 444.295 5.956 1 0 IKAFMN CC(C)(C)c1cc(I)c2c(c1)CNC1(CC(C)(C)CC(C)(C)C1)O2 ZINC000027656933 563045365 /nfs/dbraw/zinc/04/53/65/563045365.db2.gz AVJXKYISGXVRHY-UHFFFAOYSA-N 0 1 441.397 6.003 1 0 IKAFMN O=c1[nH]c2ccccc2n1C1CCN(CCCN(c2ccccc2)c2ccccc2)CC1 ZINC000027657786 563045467 /nfs/dbraw/zinc/04/54/67/563045467.db2.gz CQQPBRZBMFSECX-UHFFFAOYSA-N 0 1 426.564 5.195 1 0 IKAFMN O=[S@](c1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)[nH]1)C(F)(F)C(F)F ZINC000028218659 563051604 /nfs/dbraw/zinc/05/16/04/563051604.db2.gz ZGONJEHTLGRUBC-MHZLTWQESA-N 0 1 437.245 6.016 1 0 IKAFMN Cc1ccc(CNc2nc(NCc3ccc(C)cc3)nc(NCc3ccc(C)cc3)n2)cc1 ZINC000028334169 563052671 /nfs/dbraw/zinc/05/26/71/563052671.db2.gz JHEQYAXYXVNNIE-UHFFFAOYSA-N 0 1 438.579 5.633 1 0 IKAFMN FC(F)(F)c1ccc(Oc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)cc1 ZINC000028520254 563055811 /nfs/dbraw/zinc/05/58/11/563055811.db2.gz PDMPDEDJCANOBT-UHFFFAOYSA-N 0 1 439.319 5.926 1 0 IKAFMN O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 ZINC000028523577 563056285 /nfs/dbraw/zinc/05/62/85/563056285.db2.gz WQAMKZUPBNDBAR-JWQCQUIFSA-N 0 1 429.520 5.128 1 0 IKAFMN O=C1Nc2ccccc2[C@H](c2ccccc2)N1C1CCN(Cc2ccccc2Cl)CC1 ZINC000028567992 563058317 /nfs/dbraw/zinc/05/83/17/563058317.db2.gz CQBYCTWLUKYTPN-VWLOTQADSA-N 0 1 431.967 5.942 1 0 IKAFMN O=C1Nc2ccccc2[C@@H](c2ccccc2)N1C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000028568158 563058410 /nfs/dbraw/zinc/05/84/10/563058410.db2.gz FOPUJSJQHJHZKH-RUZDIDTESA-N 0 1 431.967 5.942 1 0 IKAFMN CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN4CCC4)ccn32)n1 ZINC000028822170 563065639 /nfs/dbraw/zinc/06/56/39/563065639.db2.gz IMOMJOBUVKJFMX-UHFFFAOYSA-N 0 1 444.558 5.261 1 0 IKAFMN COc1ccc2cc(-c3[nH]c(-c4ccc(SC)cc4C)nc3-c3ccncc3)ccc2c1 ZINC000028824347 563066031 /nfs/dbraw/zinc/06/60/31/563066031.db2.gz NZEMUNMTQSUYET-UHFFFAOYSA-N 0 1 437.568 6.998 1 0 IKAFMN COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccncc3)ccc2c1 ZINC000028824343 563066051 /nfs/dbraw/zinc/06/60/51/563066051.db2.gz VMNHHXKKCJDTHU-UHFFFAOYSA-N 0 1 446.337 7.274 1 0 IKAFMN COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccccc3F)oc21 ZINC000028877971 563067691 /nfs/dbraw/zinc/06/76/91/563067691.db2.gz NTHIAFXFYRUEJP-UHFFFAOYSA-N 0 1 447.506 5.823 1 0 IKAFMN O=C(NCCc1ccccc1)c1ccc(O)c2nc(-c3ccc(Cl)cc3Cl)[nH]c21 ZINC000028950433 563069612 /nfs/dbraw/zinc/06/96/12/563069612.db2.gz XUPWWSYXJNCEDU-UHFFFAOYSA-N 0 1 426.303 5.215 1 0 IKAFMN O=C(Nc1nccs1)c1c(O)c2c(C(F)(F)F)ccc(Cl)c2nc1C(F)(F)F ZINC000029238209 563077108 /nfs/dbraw/zinc/07/71/08/563077108.db2.gz HPSRHFWPIATNBV-UHFFFAOYSA-N 0 1 441.740 5.340 1 0 IKAFMN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NCc1cccs1)c1ccccc1 ZINC000029488255 563081497 /nfs/dbraw/zinc/08/14/97/563081497.db2.gz NYGXWAWOFVVQLI-DEOSSOPVSA-N 0 1 435.637 6.648 1 0 IKAFMN Nc1sc2c(c1C(=O)c1cccc(C(F)(F)F)c1)CCN(CCc1ccccc1)C2 ZINC000029565679 563082557 /nfs/dbraw/zinc/08/25/57/563082557.db2.gz PVBJXGWVOLJLEQ-UHFFFAOYSA-N 0 1 430.495 5.181 1 0 IKAFMN COc1cc2c3c(c1OC)-c1ccccc1[C@H]([C@@H](OC(C)=O)c1ccccc1)[C@H]3N(C)CC2 ZINC000031829640 563083551 /nfs/dbraw/zinc/08/35/51/563083551.db2.gz IGRKHRUNPPEQNP-QKDODKLFSA-N 0 1 443.543 5.301 1 0 IKAFMN O=C([O-])[C@@H]1CCC[N@H+]1CCOc1ccc(-c2ccccc2)cc1Sc1cccc(F)c1 ZINC000034849726 563088235 /nfs/dbraw/zinc/08/82/35/563088235.db2.gz YHOBMZUBDXFLGN-QFIPXVFZSA-N 0 1 437.536 5.572 1 0 IKAFMN CCn1c2ccccc2c2cc(S(=O)(=O)Nc3cc(OC)c(Cl)cc3OC)ccc21 ZINC000035064586 563089164 /nfs/dbraw/zinc/08/91/64/563089164.db2.gz AHISWIYAYYVMQP-UHFFFAOYSA-N 0 1 444.940 5.286 1 0 IKAFMN O=C([O-])[C@@H]1CCC[N@H+]1CCOc1cc(-c2ccccc2)ccc1Sc1cccc(F)c1 ZINC000036143370 563091320 /nfs/dbraw/zinc/09/13/20/563091320.db2.gz MIQJYWAKDTUTFQ-QFIPXVFZSA-N 0 1 437.536 5.572 1 0 IKAFMN CC(C)(C)c1cc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc(C(C)(C)C)c1O ZINC000040631543 563105639 /nfs/dbraw/zinc/10/56/39/563105639.db2.gz ALEHQMIPNZPUIB-UHFFFAOYSA-N 0 1 443.566 7.245 1 0 IKAFMN CN1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccc(Cl)cc2)CC1 ZINC000040639494 563105706 /nfs/dbraw/zinc/10/57/06/563105706.db2.gz CMNIJGUEXMQROT-UHFFFAOYSA-N 0 1 430.777 5.020 1 0 IKAFMN CCN1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccc(Cl)cc2)CC1 ZINC000040801447 563106772 /nfs/dbraw/zinc/10/67/72/563106772.db2.gz GHDGPHSLOYVQNP-UHFFFAOYSA-N 0 1 444.804 5.410 1 0 IKAFMN CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c(C)c2C)n1 ZINC000040879039 563109690 /nfs/dbraw/zinc/10/96/90/563109690.db2.gz MPWQFBOWINVMPU-UHFFFAOYSA-N 0 1 437.507 5.609 1 0 IKAFMN CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2C(C)(C)C)n3C)ccn1 ZINC000040891669 563109885 /nfs/dbraw/zinc/10/98/85/563109885.db2.gz JCUKOAXRNJZKDA-UHFFFAOYSA-N 0 1 429.524 5.161 1 0 IKAFMN C[N@@H+](CCNc1ccc(Oc2ccc(-c3ncco3)cc2)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000040933926 563112283 /nfs/dbraw/zinc/11/22/83/563112283.db2.gz LHEHUKYYTOVVDI-UHFFFAOYSA-N 0 1 443.503 5.376 1 0 IKAFMN CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NCc3cccs3)c2)[nH]1 ZINC000040934334 563112473 /nfs/dbraw/zinc/11/24/73/563112473.db2.gz YATJLVWJXJHVEQ-UHFFFAOYSA-N 0 1 446.523 6.553 1 0 IKAFMN CC(C)(C)c1ccc(NC(=O)c2cccc3c2CCN(Cc2ccnc4ccccc24)C3)cc1 ZINC000040952951 563114202 /nfs/dbraw/zinc/11/42/02/563114202.db2.gz SVELZAVYKTYQGE-UHFFFAOYSA-N 0 1 449.598 6.343 1 0 IKAFMN Fc1cc(-c2nc(SCc3ccccc3)[nH]c2-c2cccc(C(F)(F)F)c2)ccn1 ZINC000040957549 563114820 /nfs/dbraw/zinc/11/48/20/563114820.db2.gz UDOSTEVZSCPYSK-UHFFFAOYSA-N 0 1 429.442 6.589 1 0 IKAFMN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@H]3CCCc4ccccc43)c2)[nH]1 ZINC000040957076 563114849 /nfs/dbraw/zinc/11/48/49/563114849.db2.gz VRFQIBYIEAYTBZ-NRFANRHFSA-N 0 1 430.552 6.489 1 0 IKAFMN CCOC(=O)N1CCC[C@@H]1c1cc2nc(-c3ccccn3)[nH]c2cc1Oc1ccc(F)cc1 ZINC000043015752 563116870 /nfs/dbraw/zinc/11/68/70/563116870.db2.gz AKQRZCAKTSCFIF-JOCHJYFZSA-N 0 1 446.482 5.850 1 0 IKAFMN CCOC(=O)N1CCC[C@@H]1c1cc2nc(-c3ccccc3)[nH]c2cc1Oc1ccc(F)cc1 ZINC000043021199 563117154 /nfs/dbraw/zinc/11/71/54/563117154.db2.gz GBUHKHMECCYFOX-HSZRJFAPSA-N 0 1 445.494 6.455 1 0 IKAFMN CCOC(=O)N1CCC[C@@H]1c1cc2nc(-c3cccnc3)[nH]c2cc1Oc1ccc(F)cc1 ZINC000043021452 563117169 /nfs/dbraw/zinc/11/71/69/563117169.db2.gz XAAFFLZWYJXBHA-JOCHJYFZSA-N 0 1 446.482 5.850 1 0 IKAFMN CN(C)Cc1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1 ZINC000043069301 563118001 /nfs/dbraw/zinc/11/80/01/563118001.db2.gz GNHFCYDJPFQHDJ-UHFFFAOYSA-N 0 1 438.453 5.334 1 0 IKAFMN COc1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2[C@H]2CCCN2C(C)=O)cc1 ZINC000043120142 563118772 /nfs/dbraw/zinc/11/87/72/563118772.db2.gz GRQKQQXHGYBBAJ-HSZRJFAPSA-N 0 1 428.492 5.109 1 0 IKAFMN Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1[C@H]1C=CCCC1 ZINC000043206832 563119655 /nfs/dbraw/zinc/11/96/55/563119655.db2.gz XGQGEYWNCFBSST-FQEVSTJZSA-N 0 1 433.527 5.208 1 0 IKAFMN C[C@@H](O)[C@H]1CCCCN1C(=O)c1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1 ZINC000045168020 563122607 /nfs/dbraw/zinc/12/26/07/563122607.db2.gz CFCZRWBWIKPDDJ-CRICUBBOSA-N 0 1 443.522 5.412 1 0 IKAFMN O=C(Nc1ccsc1)Nc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1 ZINC000045189519 563123244 /nfs/dbraw/zinc/12/32/44/563123244.db2.gz GBVKMFBQVLCKQP-UHFFFAOYSA-N 0 1 428.492 6.742 1 0 IKAFMN O=C(CCc1cnc[nH]1)Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1 ZINC000045189575 563123385 /nfs/dbraw/zinc/12/33/85/563123385.db2.gz BHKGUTXPVFYGEK-UHFFFAOYSA-N 0 1 425.467 5.330 1 0 IKAFMN COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1CN1CCN(C)CC1 ZINC000045190346 563123478 /nfs/dbraw/zinc/12/34/78/563123478.db2.gz DSUKEXOPOUQEDC-UHFFFAOYSA-N 0 1 449.982 5.015 1 0 IKAFMN O=C(Nc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1)c1cnn2cccnc12 ZINC000045192310 563123840 /nfs/dbraw/zinc/12/38/40/563123840.db2.gz KRTNXWCJNRSDHO-UHFFFAOYSA-N 0 1 448.461 5.331 1 0 IKAFMN C[NH+](C)CCOc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(Cl)c([O-])c3)[nH]2)cc1 ZINC000045192223 563123893 /nfs/dbraw/zinc/12/38/93/563123893.db2.gz QBWKZQXJHJEIGV-UHFFFAOYSA-N 0 1 433.939 5.710 1 0 IKAFMN COc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)cc3)c2)cc1 ZINC000045194339 563124220 /nfs/dbraw/zinc/12/42/20/563124220.db2.gz RVKDNRGYVOBBLE-UHFFFAOYSA-N 0 1 433.555 6.504 1 0 IKAFMN O=C(Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1)c1ccoc1 ZINC000045195332 563124447 /nfs/dbraw/zinc/12/44/47/563124447.db2.gz NMRGGXTXWAIPHC-UHFFFAOYSA-N 0 1 447.416 6.761 1 0 IKAFMN Cn1cccc1C(=O)C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1 ZINC000045201621 563124776 /nfs/dbraw/zinc/12/47/76/563124776.db2.gz KLWORNGAFAVKSU-UHFFFAOYSA-N 0 1 438.462 5.196 1 0 IKAFMN Cc1cccc2nc(-c3ccc(-c4ccc(NC(=O)C(=O)c5cccn5C)cc4)cc3)[nH]c21 ZINC000045302216 563129434 /nfs/dbraw/zinc/12/94/34/563129434.db2.gz HVKDUPBDPDMSDM-UHFFFAOYSA-N 0 1 434.499 5.365 1 0 IKAFMN O=C(Nc1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1)c1cccs1 ZINC000045322429 563130413 /nfs/dbraw/zinc/13/04/13/563130413.db2.gz ATLSZLQIJIDRIK-UHFFFAOYSA-N 0 1 432.998 5.759 1 0 IKAFMN Cc1cccc2nc(-c3cccc(-c4ccc(NC(=O)NCc5ccccc5)cc4)c3)[nH]c21 ZINC000045323522 563130664 /nfs/dbraw/zinc/13/06/64/563130664.db2.gz IRAIOOQWGDBOIK-UHFFFAOYSA-N 0 1 432.527 6.527 1 0 IKAFMN Cc1cccc2nc(-c3ccc(-c4cccc(C(=O)N5CCCC[C@@H]5[C@@H](C)O)c4)s3)[nH]c21 ZINC000045334555 563131038 /nfs/dbraw/zinc/13/10/38/563131038.db2.gz FEONNFNUMJIIFV-DYESRHJHSA-N 0 1 445.588 5.642 1 0 IKAFMN C[C@H](O)[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1 ZINC000045334907 563131190 /nfs/dbraw/zinc/13/11/90/563131190.db2.gz LFLWFUKVHCOBTD-SSOJOUAXSA-N 0 1 443.522 5.412 1 0 IKAFMN COc1cc2nccc(Nc3ccc4c(cnn4Cc4ccccc4F)c3)c2cc1OC ZINC000045335396 563131304 /nfs/dbraw/zinc/13/13/04/563131304.db2.gz BGPAOLWXDIRXEH-UHFFFAOYSA-N 0 1 428.467 5.533 1 0 IKAFMN Cc1cccc2nc(-c3ccc(-c4cccc(NCc5cn6cccnc6n5)c4)cc3)[nH]c21 ZINC000045336793 563131516 /nfs/dbraw/zinc/13/15/16/563131516.db2.gz HLZNUUMSBDHJPI-UHFFFAOYSA-N 0 1 430.515 5.860 1 0 IKAFMN O=C(Nc1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1)c1ccco1 ZINC000045338109 563131672 /nfs/dbraw/zinc/13/16/72/563131672.db2.gz OBIZBFYOEWCUKU-UHFFFAOYSA-N 0 1 428.891 5.368 1 0 IKAFMN CC[C@H]1CCCN1CN1C(=O)c2cccc3c4sc(-c5ccccc5)nc4cc(c32)C1=O ZINC000045496120 563134407 /nfs/dbraw/zinc/13/44/07/563134407.db2.gz FDDSLXCCTPEFEX-KRWDZBQOSA-N 0 1 441.556 5.544 1 0 IKAFMN O=C(CCCN1CCC2(CC1)c1ccccc1Oc1ccccc1C2=O)c1ccc(F)cc1 ZINC000060051733 563146952 /nfs/dbraw/zinc/14/69/52/563146952.db2.gz PIODWFWZYGJTTD-UHFFFAOYSA-N 0 1 443.518 5.811 1 0 IKAFMN N[C@@H](COCc1ccccc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061896346 563147329 /nfs/dbraw/zinc/14/73/29/563147329.db2.gz CWTZLAMFZDSZCS-QFIPXVFZSA-N 0 1 429.545 5.334 3 0 IKAFMN N[C@@H](Cc1ccccc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000061904052 563148089 /nfs/dbraw/zinc/14/80/89/563148089.db2.gz DSNAAQFTTVRGED-IBGZPJMESA-N 0 1 430.533 5.822 3 0 IKAFMN O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(Br)cc1OC(F)(F)F ZINC000064480304 563153651 /nfs/dbraw/zinc/15/36/51/563153651.db2.gz BRCADGANWVLQRE-UHFFFAOYSA-N 0 1 446.244 5.302 1 0 IKAFMN C=C([NH2+]Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl)c1ccc2cc(OC)ccc2c1 ZINC000064502330 563153821 /nfs/dbraw/zinc/15/38/21/563153821.db2.gz KKVGWAVVIUSIFY-UHFFFAOYSA-N 0 1 438.698 5.489 1 0 IKAFMN CC1(C)CN(C(=O)c2c3ccccc3n(-c3ccccc3)c2Oc2ccccc2)CCN1 ZINC000064513340 563154251 /nfs/dbraw/zinc/15/42/51/563154251.db2.gz WYVWWKFTKSWUPN-UHFFFAOYSA-N 0 1 425.532 5.247 1 0 IKAFMN CSc1nc(-c2ccnc(NC(=O)C=Cc3ccc(C)cc3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000064539284 563154951 /nfs/dbraw/zinc/15/49/51/563154951.db2.gz GXHYAPKBGTZSTD-KPKJPENVSA-N 0 1 444.535 5.960 1 0 IKAFMN Fc1ccc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1Cl ZINC000072103749 563162887 /nfs/dbraw/zinc/16/28/87/563162887.db2.gz OKJSCJFYUVMSEW-HSZRJFAPSA-N 0 1 448.344 6.015 1 0 IKAFMN COc1ccc([C@H](c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(O)ccc3ccccc32)cc1 ZINC000072118251 563163761 /nfs/dbraw/zinc/16/37/61/563163761.db2.gz IWGCYALDYJWFJW-AREMUKBSSA-N 0 1 436.511 5.522 1 0 IKAFMN Fc1cc(Cl)ccc1[C@@H](NC1CCN(c2ccc(Cl)cc2)CC1)c1cccnc1 ZINC000072141211 563164590 /nfs/dbraw/zinc/16/45/90/563164590.db2.gz FPSXDXTVYXQEHB-QHCPKHFHSA-N 0 1 430.354 5.876 1 0 IKAFMN FC(F)(F)c1ccc([C@H](c2cccnc2)N2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000072185692 563168106 /nfs/dbraw/zinc/16/81/06/563168106.db2.gz PMTDGYFTZYPQQK-HSZRJFAPSA-N 0 1 446.900 6.387 1 0 IKAFMN FC(F)(F)c1ccc([C@@H](c2cccnc2)N2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000072185691 563168110 /nfs/dbraw/zinc/16/81/10/563168110.db2.gz PMTDGYFTZYPQQK-QHCPKHFHSA-N 0 1 446.900 6.387 1 0 IKAFMN Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(C(=O)[O-])c[nH+]c2c1C ZINC000084635703 563174828 /nfs/dbraw/zinc/17/48/28/563174828.db2.gz AIMHOMDDAPOZFR-UHFFFAOYSA-N 0 1 429.520 6.554 1 0 IKAFMN Cc1csc(-c2nc(CNC(=O)OCC(C)C)[nH]c2-c2ccc3ncsc3c2)n1 ZINC000095562281 563182563 /nfs/dbraw/zinc/18/25/63/563182563.db2.gz FMPROYAQAQOEAE-UHFFFAOYSA-N 0 1 427.555 5.001 1 0 IKAFMN Oc1ccc(-c2nc(-c3ccnc4[nH]c(-c5ccccc5)cc43)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000095574529 563185334 /nfs/dbraw/zinc/18/53/34/563185334.db2.gz HFDJAPMETZJFMI-UHFFFAOYSA-N 0 1 446.485 6.799 1 0 IKAFMN O=S(=O)(Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000095575381 563185619 /nfs/dbraw/zinc/18/56/19/563185619.db2.gz XAXFAGJYAZYRDM-UHFFFAOYSA-N 0 1 447.850 5.155 1 0 IKAFMN Fc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccnc3[nH]c(Cc4ccccc4)cc32)cc1 ZINC000095577933 563186482 /nfs/dbraw/zinc/18/64/82/563186482.db2.gz JGFVSMPXUUKCGZ-UHFFFAOYSA-N 0 1 444.513 7.017 1 0 IKAFMN O=S(=O)(Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1cccc(F)c1 ZINC000095579954 563187182 /nfs/dbraw/zinc/18/71/82/563187182.db2.gz ZXYMDJFNJBHIOR-UHFFFAOYSA-N 0 1 429.860 5.015 1 0 IKAFMN COc1ccccc1C(=O)Nc1cccc(-c2nc3c(ncnc3Nc3ccccc3)[nH]2)c1 ZINC000095605564 563194061 /nfs/dbraw/zinc/19/40/61/563194061.db2.gz HPCDJEHGNZHODM-UHFFFAOYSA-N 0 1 436.475 5.024 1 0 IKAFMN CCCCc1[nH+]cc(/C=C(\Cc2cccs2)C(=O)[O-])n1Cc1cccc(Cl)c1Cl ZINC000095613666 563194262 /nfs/dbraw/zinc/19/42/62/563194262.db2.gz IWGLAVDRQKAHHB-LFIBNONCSA-N 0 1 449.403 6.353 1 0 IKAFMN Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(CCc3ccccc3)[C@H]1N2C ZINC000095616227 563194270 /nfs/dbraw/zinc/19/42/70/563194270.db2.gz XVAIKIDWWWIJHZ-IAPPQJPRSA-N 0 1 441.575 5.588 1 0 IKAFMN CN(C(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000096911640 563197833 /nfs/dbraw/zinc/19/78/33/563197833.db2.gz NGWIFPSXBHUWBP-UHFFFAOYSA-N 0 1 434.499 5.481 1 0 IKAFMN CN1CCN(c2ccc(-c3cnc4c(-c5csc6ccccc56)cnn4c3)cc2)CC1 ZINC000096927002 563198147 /nfs/dbraw/zinc/19/81/47/563198147.db2.gz KLHCLOMLKFTMRO-UHFFFAOYSA-N 0 1 425.561 5.030 1 0 IKAFMN Clc1ccc(-c2nc(SCCCN3CCN(c4cccc(Cl)c4)CC3)n[nH]2)cc1 ZINC000096934122 563199210 /nfs/dbraw/zinc/19/92/10/563199210.db2.gz AMISXROOXDYJRQ-UHFFFAOYSA-N 0 1 448.423 5.083 1 0 IKAFMN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCN(c2ccccc2)CC1 ZINC000096938972 563199937 /nfs/dbraw/zinc/19/99/37/563199937.db2.gz JGFPGAUUMQEXII-UHFFFAOYSA-N 0 1 444.529 5.448 1 0 IKAFMN