smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCC/C=C/C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000113277427 717149196 /nfs/dbraw/zinc/14/91/96/717149196.db2.gz YIGBMCKQXUEBKC-IESBNPPRSA-O 0 0 426.662 6.117 1 0 in-man IKAFRN CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000069481838 290695722 /nfs/dbraw/zinc/69/57/22/290695722.db2.gz VLRMAVHXJLVDCY-NOCVGLEYSA-N 0 0 426.729 8.025 1 0 biogenic,in-vitro IKAFRN CC(C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255214329 291388187 /nfs/dbraw/zinc/38/81/87/291388187.db2.gz GYMHSRLMVGFHQS-NCRORLQZSA-N 0 0 426.729 8.025 1 0 IKAFRN CC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1c(O)cc(O)cc1-c1cc2ccc(O)cc2o1 ZINC000043077085 291396477 /nfs/dbraw/zinc/39/64/77/291396477.db2.gz YUFBSQFJPYHMTK-QUYCRGELSA-N 0 0 446.587 8.178 1 0 biogenic,in-vivo IKAFRN CC1(C)CC2=C3CC(=O)[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]54C)[C@]3(C)CC[C@H]2[C@H](O)C1 ZINC000070454761 291397752 /nfs/dbraw/zinc/39/77/52/291397752.db2.gz RDKANLLZYLEUHR-BHYYAIKXSA-N 0 0 442.684 6.073 1 0 biogenic,in-vitro IKAFRN CC1(C)CC2=C3CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]54C)[C@]3(C)CC[C@@]2(C)[C@H](O)C1 ZINC000070454774 291397755 /nfs/dbraw/zinc/39/77/55/291397755.db2.gz RXWHEUZZKISIRT-RMSXZVCWSA-N 0 0 442.728 7.284 1 0 biogenic,in-vitro IKAFRN CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@@]23CC[C@]1(CCOC)C=C2C(=O)O/C3=C\CCC ZINC000085571251 291401392 /nfs/dbraw/zinc/40/13/92/291401392.db2.gz FYEFWLNZHKSQOS-FAPNEJSTSA-N 0 0 438.564 5.534 1 0 biogenic,in-vitro IKAFRN CCC/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/CCCCCCO)OC2=O ZINC000085571580 291401672 /nfs/dbraw/zinc/40/16/72/291401672.db2.gz LHZAPHKKYFSMFQ-ZSZHMSDISA-N 0 0 438.564 5.270 1 0 biogenic,in-vitro IKAFRN CC1=CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C ZINC000033814481 291400530 /nfs/dbraw/zinc/40/05/30/291400530.db2.gz NGFFRJBGMSPDMS-CYWFXMDZSA-N 0 0 426.729 8.025 1 0 biogenic,in-vitro IKAFRN CCCC[C@H](O)CCC[C@H](C=Cc1ccccc1)CC[C@H](C=CC(=O)[O-])NC1=[NH+]CC=C1 ZINC000085510350 291403555 /nfs/dbraw/zinc/40/35/55/291403555.db2.gz SJVXTJNZZSFSGG-JPHNCHLASA-N 0 0 437.604 6.053 1 0 biogenic,in-vitro IKAFRN COc1cc(OC)c(OC)cc1/C=C\[C@@H]1CCC=C[C@H]1c1cc(OC)c(OC)cc1OC ZINC000095919232 291405793 /nfs/dbraw/zinc/40/57/93/291405793.db2.gz IPDBDETUKDCSOI-UMZMSADGSA-N 0 0 440.536 5.501 1 0 biogenic,in-vitro IKAFRN COc1cc2cc([C@]3(C)CC[C@@]3(C)c3cc4cc(OC)c(OC)cc4o3)oc2cc1OC ZINC000034661852 291406443 /nfs/dbraw/zinc/40/64/43/291406443.db2.gz FOBOWKZGEOSKGQ-UIOOFZCWSA-N 0 0 436.504 6.223 1 0 biogenic,in-vitro IKAFRN C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2[C@H]1C ZINC000006031047 291409465 /nfs/dbraw/zinc/40/94/65/291409465.db2.gz TZVDWGXUGGUMCE-JVHXOXOBSA-N 0 0 426.729 8.025 1 0 biogenic,in-vitro IKAFRN C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000059587643 291409504 /nfs/dbraw/zinc/40/95/04/291409504.db2.gz XUARCIYIVXVTAE-YKZYWKOGSA-N 0 0 442.728 6.997 1 0 biogenic,in-vitro IKAFRN C[C@H]1C(=O)CC[C@@H]2[C@@]1(C)CC[C@H]1[C@]2(C)CC[C@]2(C)[C@H]3CC(C)(C)CC[C@@]3(C)CC[C@]12C ZINC000095485962 291408622 /nfs/dbraw/zinc/40/86/22/291408622.db2.gz OFMXGFHWLZPCFL-DKLGUOOZSA-N 0 0 426.729 8.457 1 0 biogenic,in-vitro IKAFRN O=C(Nc1ccc(F)cc1F)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000008912790 132297771 /nfs/dbraw/zinc/29/77/71/132297771.db2.gz QROILBQAUIQPHT-UHFFFAOYSA-N 0 0 442.466 5.117 3 0 IKAFRN O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N1CCCC[C@H]1c1nccs1 ZINC000014880261 526575849 /nfs/dbraw/zinc/57/58/49/526575849.db2.gz TYCVSCTUSJQYEU-NVQXNPDNSA-N 0 0 447.604 5.022 1 0 IKAFRN O=C(CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)N1CCCC[C@@H]1c1nccs1 ZINC000014880257 526576155 /nfs/dbraw/zinc/57/61/55/526576155.db2.gz TYCVSCTUSJQYEU-GJZUVCINSA-N 0 0 447.604 5.022 1 0 IKAFRN Cc1cc(Cl)ccc1NC(=O)CCCC(=O)[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000102967222 557311060 /nfs/dbraw/zinc/31/10/60/557311060.db2.gz PCDDRIDZZLFNGM-RUZDIDTESA-N 0 0 433.935 5.993 1 0 IKAFRN Cc1cc(Cl)ccc1NC(=O)CCCC(=O)[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000102967225 557311081 /nfs/dbraw/zinc/31/10/81/557311081.db2.gz PCDDRIDZZLFNGM-VWLOTQADSA-N 0 0 433.935 5.993 1 0 IKAFRN CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@H]2[C@@H]1C ZINC000142641554 560045370 /nfs/dbraw/zinc/04/53/70/560045370.db2.gz QGZYKSPCFZDAMW-MSPCGJDTSA-N 0 0 442.728 6.996 1 0 biogenic IKAFRN C[C@@H]1CC[C@]2(CO)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2[C@H]1C ZINC000095918869 560054824 /nfs/dbraw/zinc/05/48/24/560054824.db2.gz FRWIVKOPOMZDMY-OICZBHKSSA-N 0 0 442.728 6.997 1 0 biogenic,in-vitro IKAFRN COc1ccc(CCC(=O)C[C@]2(O)C=C[C@H](CCCCc3ccccc3)CC2)cc1OC ZINC000085596209 560063487 /nfs/dbraw/zinc/06/34/87/560063487.db2.gz WJUQAFXRRJUMDX-FIPFOOKPSA-N 0 0 436.592 5.706 1 0 biogenic,in-vitro IKAFRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000069482349 560078350 /nfs/dbraw/zinc/07/83/50/560078350.db2.gz FFLGORGANMRISQ-OQLZNSBMSA-N 0 0 432.733 7.076 1 0 biogenic,in-vitro IKAFRN CCCCC/C(C)=C/CC/C(C)=C\[C@@H]1O[C@H](C)C[C@@H](CCc2ccc(O)c(OC)c2)O1 ZINC000059586389 560082944 /nfs/dbraw/zinc/08/29/44/560082944.db2.gz BLOFLDWIYYXVLO-RBTYMKATSA-N 0 0 430.629 7.107 1 0 biogenic,in-vitro IKAFRN C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000028967259 560091524 /nfs/dbraw/zinc/09/15/24/560091524.db2.gz FSLPMRQHCOLESF-PIIGBHGOSA-N 0 0 426.729 8.025 1 0 biogenic,in-vitro IKAFRN CC1(C)C(=O)CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CC[C@H]21 ZINC000003978317 560192363 /nfs/dbraw/zinc/19/23/63/560192363.db2.gz BQDRKSSNLHIYIM-GHUQMBEXSA-N 0 0 426.553 5.003 3 0 in-vitro IKAFRN CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000005762431 560203068 /nfs/dbraw/zinc/20/30/68/560203068.db2.gz ZEGUWBQDYDXBNS-JHNMQDNKSA-N 0 0 442.728 7.140 1 0 in-vitro IKAFRN CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000005762430 560203097 /nfs/dbraw/zinc/20/30/97/560203097.db2.gz ZEGUWBQDYDXBNS-FIZWBJOGSA-N 0 0 442.728 7.140 1 0 in-vitro IKAFRN C[C@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]2(C)CC[C@@]1(C)O ZINC000014513026 571711832 /nfs/dbraw/zinc/71/18/32/571711832.db2.gz JGOGEYGCWRVPQA-AYHOECOGSA-N 0 0 440.712 7.348 1 0 endogenous,in-man IKAFRN C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]2(C)CC[C@@]1(C)O ZINC000014513023 571711912 /nfs/dbraw/zinc/71/19/12/571711912.db2.gz JGOGEYGCWRVPQA-PVIBZOGHSA-N 0 0 440.712 7.348 1 0 endogenous,in-man IKAFRN CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@@]5(C)CC[C@@]4(C)C3=CC[C@@H]2C1(C)C ZINC000014610661 571715186 /nfs/dbraw/zinc/71/51/86/571715186.db2.gz IWHPMBHSBARBOW-GEPRQHCQSA-N 0 0 440.756 8.823 1 0 endogenous,in-man IKAFRN Cc1nc2cnccc2n1CC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000000600643 562918567 /nfs/dbraw/zinc/91/85/67/562918567.db2.gz HXCOKIFMWJDWPX-UHFFFAOYSA-N 0 0 438.575 5.201 1 0 IKAFRN COc1ccc(N2C(=O)[C@@](C(=O)Cc3ccccc3)(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000000606303 562918769 /nfs/dbraw/zinc/91/87/69/562918769.db2.gz WYTBNSYILBXOOE-PQHLKRTFSA-N 0 0 447.534 5.533 1 0 IKAFRN CCOc1cc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000815966 562919225 /nfs/dbraw/zinc/91/92/25/562919225.db2.gz YSBZLAHMJTXWGK-QHCPKHFHSA-N 0 0 438.568 5.248 1 0 IKAFRN COc1cccc(C(=O)N(Cc2cccnc2)Cc2cc3c(C)cc(C)cc3nc2Cl)c1 ZINC000001367744 562921452 /nfs/dbraw/zinc/92/14/52/562921452.db2.gz XSIQZQCDKOSEBA-UHFFFAOYSA-N 0 0 445.950 5.751 1 0 IKAFRN CC(C)c1nc2ccc(Cl)cc2c(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000001488612 562922224 /nfs/dbraw/zinc/92/22/24/562922224.db2.gz FRJJJAKBRKABFA-TYFAACHXSA-N 0 0 439.914 5.897 1 0 in-vitro IKAFRN O=C(N[C@H]1c2ccccc2CC[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 ZINC000001534795 562922477 /nfs/dbraw/zinc/92/24/77/562922477.db2.gz ONRZAPRVGYVXOM-PXJZQJOASA-N 0 0 433.551 6.112 1 0 IKAFRN O=C(N[C@H]1c2cc(O)ccc2CC[C@@H]1c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000001534796 562922481 /nfs/dbraw/zinc/92/24/81/562922481.db2.gz UQCXBSDLQFUVAF-GGXMVOPNSA-N 0 0 433.551 6.112 1 0 IKAFRN CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)CCCC2 ZINC000001541989 562922644 /nfs/dbraw/zinc/92/26/44/562922644.db2.gz ARZUEYHMVSFSTN-UHFFFAOYSA-N 0 0 440.551 5.030 1 0 IKAFRN COc1cccc(C(=C/C=C/C(=O)NCCCCc2cccnc2)c2cccc(OC)c2)c1 ZINC000001550972 562922850 /nfs/dbraw/zinc/92/28/50/562922850.db2.gz YGABXJKFEIODKZ-FRKPEAEDSA-N 0 0 442.559 5.226 1 0 IKAFRN Br[C@]12c3ccccc3[C@]1(Br)c1ccccc1Sc1ccccc12 ZINC000001620163 562923234 /nfs/dbraw/zinc/92/32/34/562923234.db2.gz SVXQIOYAEZQALQ-PMACEKPBSA-N 0 0 444.191 6.442 1 0 IKAFRN CCOC(=O)C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000001620245 562923254 /nfs/dbraw/zinc/92/32/54/562923254.db2.gz JNDCAELWRTYTCS-UHFFFAOYSA-N 0 0 442.558 7.401 1 0 IKAFRN CCN(CC)C(=O)c1cc(OC(C)C)ccc1-c1c(C)cc(OC(C)C)c(OC)c1OC ZINC000001633839 562923411 /nfs/dbraw/zinc/92/34/11/562923411.db2.gz AUDTWBLYCSHTIM-UHFFFAOYSA-N 0 0 443.584 5.736 1 0 IKAFRN O=c1cc(-c2ccccc2)oc2ccc(-c3ccc4oc(-c5ccccc5)cc(=O)c4c3)cc12 ZINC000001642931 562923497 /nfs/dbraw/zinc/92/34/97/562923497.db2.gz RFRYEGZKLVLBMV-UHFFFAOYSA-N 0 0 442.470 6.900 1 0 IKAFRN O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc(SCc2ccccc2)ns1 ZINC000001658636 562924165 /nfs/dbraw/zinc/92/41/65/562924165.db2.gz HXMRZWYSDNKXBD-UHFFFAOYSA-N 0 0 431.542 5.318 1 0 IKAFRN O=C1CS(=O)(=O)[C@@H](c2cccc(Oc3ccccc3)c2)N1c1cccc(Cl)c1Cl ZINC000001659507 562924225 /nfs/dbraw/zinc/92/42/25/562924225.db2.gz XVVYVMROVFYEAG-NRFANRHFSA-N 0 0 448.327 5.246 1 0 IKAFRN CCOC(=O)C1=C(C)[C@H]2C=C(c3cccs3)CC(c3ccc(Cl)cc3)=C2OC1=O ZINC000001858600 562925021 /nfs/dbraw/zinc/92/50/21/562925021.db2.gz RLBODWIUAGVFRL-QGZVFWFLSA-N 0 0 426.921 5.653 1 0 IKAFRN COC(=O)CCCc1c2ccccc2[nH]c1-c1[nH]c2ccccc2c1CCCC(=O)OC ZINC000001858507 562925028 /nfs/dbraw/zinc/92/50/28/562925028.db2.gz ZNTBTLVGGWWYMV-UHFFFAOYSA-N 0 0 432.520 5.308 1 0 IKAFRN O=C1/C(=C\c2cccc(Oc3ccccc3)c2)S[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000001861008 562925067 /nfs/dbraw/zinc/92/50/67/562925067.db2.gz YDIDQRDZPROMEZ-PUUMDJTNSA-N 0 0 449.575 7.294 1 0 IKAFRN COc1cc(/C=C2/S[C@@H](c3ccccc3)N(Cc3ccccc3)C2=O)cc(OC)c1OC ZINC000001860929 562925084 /nfs/dbraw/zinc/92/50/84/562925084.db2.gz DCDDPESPKOOVBA-WALVNQSHSA-N 0 0 447.556 5.528 1 0 IKAFRN CC(C)CCNC(=O)c1ccc(CNC(=O)/C=C/c2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000001862869 562925140 /nfs/dbraw/zinc/92/51/40/562925140.db2.gz XUDMAFKAWBJBDM-GXDHUFHOSA-N 0 0 438.571 5.363 1 0 IKAFRN COc1cc([C@@H]2SCC(=O)N2c2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC ZINC000001862924 562925168 /nfs/dbraw/zinc/92/51/68/562925168.db2.gz YPIQHLBCCJJTDJ-SFHVURJKSA-N 0 0 448.755 5.451 1 0 IKAFRN COc1cc(Nc2nc(SCc3ccccc3Cl)nc3ccccc32)cc(OC)c1 ZINC000002949067 562931096 /nfs/dbraw/zinc/93/10/96/562931096.db2.gz SLNZWIAWCMLQAL-UHFFFAOYSA-N 0 0 437.952 6.336 1 0 IKAFRN Cc1cccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)c1C ZINC000003295102 562933825 /nfs/dbraw/zinc/93/38/25/562933825.db2.gz SXVGLKQYRROOQE-UHFFFAOYSA-N 0 0 440.413 5.698 3 0 aggregator IKAFRN CCCCc1ncc(C=C(Cc2cccs2)c2nn[nH]n2)n1Cc1ccccc1Cl ZINC000003792238 562937971 /nfs/dbraw/zinc/93/79/71/562937971.db2.gz MAZDSKSJGJGTSK-SFQUDFHCSA-N 0 0 438.988 5.285 1 0 IKAFRN COc1ccc2nc(C(C)C)c(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c(-c3ccc(F)cc3)c2c1 ZINC000003797408 562938109 /nfs/dbraw/zinc/93/81/09/562938109.db2.gz KCOGCSKFAXCWES-YLJGDWCDSA-N 0 0 435.495 5.253 1 0 IKAFRN Cc1cc(C)c2nc(C3CC3)n([C@@H]3CCc4cc(-c5ccccc5-c5nn[nH]n5)ccc43)c2n1 ZINC000003808219 562938375 /nfs/dbraw/zinc/93/83/75/562938375.db2.gz KVHCBGFGXVLDGD-HSZRJFAPSA-N 0 0 447.546 5.308 1 0 IKAFRN NS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccc(F)cc2)cc1 ZINC000003814568 562938491 /nfs/dbraw/zinc/93/84/91/562938491.db2.gz MOPCULHUZRPBDL-UHFFFAOYSA-N 0 0 444.940 5.584 1 0 IKAFRN COc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1C ZINC000003815315 562938517 /nfs/dbraw/zinc/93/85/17/562938517.db2.gz PBDZUUYDHCFPJM-UHFFFAOYSA-N 0 0 441.318 5.363 1 0 IKAFRN C[C@@H]1C[C@@H]2C(=C3CCC(=O)C=C31)[C@@H](c1ccc(N(C)C)cc1)C[C@@]1(C)[C@H]2CC[C@@]12CCCO2 ZINC000003918217 562939286 /nfs/dbraw/zinc/93/92/86/562939286.db2.gz HFDGABTZPISMDD-IEVXGSBISA-N 0 0 445.647 6.447 1 0 IKAFRN C/C=C/[C@H]1C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)C(C)(C)CC)C1 ZINC000003925404 562939379 /nfs/dbraw/zinc/93/93/79/562939379.db2.gz FPFKPDQXLUTVQE-XNFUBWTISA-N 0 0 446.628 5.222 1 0 IKAFRN CC[C@H]1[C@H](/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cn2)[C@@H]2[C@@H](C)OC(=O)[C@@H]2C[C@@H]1C ZINC000003955419 562939899 /nfs/dbraw/zinc/93/98/99/562939899.db2.gz QAVYCZSGDXDSBS-CTEHMNNRSA-N 0 0 443.509 6.641 1 0 IKAFRN CC1(C)OC[C@H](NC(=O)Nc2ccc(Br)cc2Cl)[C@H](c2ccccc2)O1 ZINC000003960326 562940072 /nfs/dbraw/zinc/94/00/72/562940072.db2.gz HHNAHVCOGFTMSQ-IRXDYDNUSA-N 0 0 439.737 5.117 1 0 in-vitro IKAFRN C[S@@](=O)c1ccccc1CSc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1 ZINC000003974234 562940219 /nfs/dbraw/zinc/94/02/19/562940219.db2.gz VIGHOCFNNZKRLV-PMERELPUSA-N 0 0 435.549 5.374 1 0 IKAFRN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cncc(Br)c1 ZINC000004101709 562941944 /nfs/dbraw/zinc/94/19/44/562941944.db2.gz KPIQFMUOSWEVOO-UHFFFAOYSA-N 0 0 428.673 5.558 3 0 IKAFRN Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCCC2=CCCCC2)CC1 ZINC000004118702 562942159 /nfs/dbraw/zinc/94/21/59/562942159.db2.gz AAFWGXZKDLGSEQ-UHFFFAOYSA-N 0 0 425.548 5.008 3 0 IKAFRN CC(=O)OC[C@H]1[C@H](C2(C)SCCS2)CC[C@H]2[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@H]12 ZINC000005539492 562944033 /nfs/dbraw/zinc/94/40/33/562944033.db2.gz XBIHRHJXBALPME-PBBQUWACSA-N 0 0 440.671 5.146 1 0 IKAFRN Clc1ccccc1C1=NN(c2ccccc2)[C@@H]2c3cc(Br)ccc3OC[C@@H]12 ZINC000005823905 562944963 /nfs/dbraw/zinc/94/49/63/562944963.db2.gz IIFUZKSFQBDFEV-PGRDOPGGSA-N 0 0 439.740 6.077 1 0 IKAFRN Clc1ccc(C2=NN(c3ccccc3)[C@H]3c4cc(Br)ccc4OC[C@H]23)cc1 ZINC000005823925 562944968 /nfs/dbraw/zinc/94/49/68/562944968.db2.gz PHCBCVPVOMIBHS-KNQAVFIVSA-N 0 0 439.740 6.077 1 0 IKAFRN CCOC(=O)C1=C(C)[C@@H]2C=C(c3cccs3)CC(c3ccc(Cl)cc3)=C2OC1=O ZINC000005848509 562945172 /nfs/dbraw/zinc/94/51/72/562945172.db2.gz RLBODWIUAGVFRL-KRWDZBQOSA-N 0 0 426.921 5.653 1 0 IKAFRN CCc1c(C)nc(OC)c(NC(=O)C(C)(C)C)c1[C@H](OC(C)=O)c1cc(C)cc(C)c1 ZINC000005847233 562945179 /nfs/dbraw/zinc/94/51/79/562945179.db2.gz NILMGJQQKLECIG-JOCHJYFZSA-N 0 0 426.557 5.215 1 0 IKAFRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]2CC[C@]2(C)Nc4nc5ccccc5cc4C[C@H]32)C1 ZINC000005883742 562945263 /nfs/dbraw/zinc/94/52/63/562945263.db2.gz HVLLZGCXBUCKJF-JZRRMPSYSA-N 0 0 430.592 6.056 1 0 IKAFRN CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]2(C)C1 ZINC000005854152 562945277 /nfs/dbraw/zinc/94/52/77/562945277.db2.gz GEDCRNDZBLEQJG-OZAHYKMTSA-N 0 0 428.745 8.871 1 0 IKAFRN O=C(NCC[C@@H]1CN(C(=O)OCc2ccccc2)c2ccccc21)OCc1ccccc1 ZINC000005923579 562945384 /nfs/dbraw/zinc/94/53/84/562945384.db2.gz MBDINGFUDRFUNN-JOCHJYFZSA-N 0 0 430.504 5.244 1 0 IKAFRN Clc1cccc([C@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1Cl ZINC000005940284 562945479 /nfs/dbraw/zinc/94/54/79/562945479.db2.gz ISWNWDGESDVBJZ-DJKMCGLWSA-N 0 0 427.375 6.655 1 0 IKAFRN C[C@H]1O[C@@H](C(C)(C)C)OC(=O)[C@@H]1[C@@H](OC(=O)c1ccccc1)c1cccc2ccccc21 ZINC000006002829 562945577 /nfs/dbraw/zinc/94/55/77/562945577.db2.gz ARKDPYIAHWYBRB-RMVJEJMNSA-N 0 0 432.516 5.688 1 0 IKAFRN CC(C)(C)CN1[C@@H]2CCCC[C@H]2N(CC(C)(C)C)P1(=O)[C@@H](O)/C=C/c1ccccc1 ZINC000006009857 562945687 /nfs/dbraw/zinc/94/56/87/562945687.db2.gz NDTHCMGNBOFWJN-RWCZBLETSA-N 0 0 432.589 6.232 1 0 IKAFRN CC(C)=CCC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000006036292 562945949 /nfs/dbraw/zinc/94/59/49/562945949.db2.gz CCFQLQIYEHITNK-SSORVZQWSA-N 0 0 440.712 7.226 1 0 IKAFRN C[C@H](NC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)c1ccccc1 ZINC000008020284 562948926 /nfs/dbraw/zinc/94/89/26/562948926.db2.gz VQUIOFHMJDBSQU-KTEAYJLESA-N 0 0 428.532 5.168 1 0 IKAFRN Cc1ccc(-c2cn3c4ccc(C(=O)NCCCc5ccccc5)cc4sc3n2)cc1 ZINC000008588613 562950728 /nfs/dbraw/zinc/95/07/28/562950728.db2.gz DWKBKUNIDLQDHN-UHFFFAOYSA-N 0 0 425.557 5.887 1 0 IKAFRN O=C(NCCc1ccc(Cl)cc1)c1ccc(C[S@@](=O)Cc2cccc(Cl)c2)o1 ZINC000008589254 562951143 /nfs/dbraw/zinc/95/11/43/562951143.db2.gz UWLPEXQBTRHURN-MUUNZHRXSA-N 0 0 436.360 5.008 1 0 IKAFRN Brc1cccc(-c2nn(-c3ccccc3)c3c2cnc2cc4c(cc32)OCO4)c1 ZINC000008595147 562953301 /nfs/dbraw/zinc/95/33/01/562953301.db2.gz DKQUPFQNFNPQRT-UHFFFAOYSA-N 0 0 444.288 5.732 1 0 aggregator IKAFRN O=C(Nc1ccc2c(c1)N(C1CCCC1)C(=O)c1ccccc1S2)c1ccccc1F ZINC000008608163 562957427 /nfs/dbraw/zinc/95/74/27/562957427.db2.gz HQMBBUQVCZVDCZ-UHFFFAOYSA-N 0 0 432.520 6.132 1 0 aggregator IKAFRN O=C(Nc1ccc2c(c1)N(C1CCCC1)C(=O)c1ccccc1S2)c1cccc(F)c1 ZINC000008608161 562957428 /nfs/dbraw/zinc/95/74/28/562957428.db2.gz OVRAWGLQMCSWLN-UHFFFAOYSA-N 0 0 432.520 6.132 1 0 IKAFRN CN1c2cc(NC(=O)Cc3c(F)cccc3Cl)ccc2Sc2ccccc2C1=O ZINC000008608029 562957430 /nfs/dbraw/zinc/95/74/30/562957430.db2.gz GEWDGRQXRMBFLD-UHFFFAOYSA-N 0 0 426.900 5.402 1 0 IKAFRN O=C(Nc1ccc2c(c1)N(C1CCCC1)C(=O)c1ccccc1S2)c1ccc(F)cc1 ZINC000008608154 562957444 /nfs/dbraw/zinc/95/74/44/562957444.db2.gz IQSOPDOBPYEJFC-UHFFFAOYSA-N 0 0 432.520 6.132 1 0 aggregator IKAFRN COC(=O)c1cc2sc(C)cc2n1Cc1nc(-c2cccc(Br)c2)oc1C ZINC000008609961 562957984 /nfs/dbraw/zinc/95/79/84/562957984.db2.gz ANJUBBUGBQQRTM-UHFFFAOYSA-N 0 0 445.338 5.572 1 0 IKAFRN O=C(c1cccc(F)c1)N1CCC(c2c[nH]c3ccccc32)(c2c[nH]c3ccccc32)CC1 ZINC000008610428 562958158 /nfs/dbraw/zinc/95/81/58/562958158.db2.gz FGUFWYVTZZPRCL-UHFFFAOYSA-N 0 0 437.518 6.011 1 0 IKAFRN CCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OCC)n2)s1 ZINC000008666709 562960489 /nfs/dbraw/zinc/96/04/89/562960489.db2.gz GWXXQKPBRUEISH-UHFFFAOYSA-N 0 0 430.599 6.236 3 0 IKAFRN CC1(C)CC[C@]2(C)CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]2C1 ZINC000008681281 562961612 /nfs/dbraw/zinc/96/16/12/562961612.db2.gz JFSHUTJDVKUMTJ-KOTMMHMKSA-N 0 0 426.729 8.169 1 0 IKAFRN CC(=O)N[C@H]1C(c2nc3ccccc3s2)=C(c2ccccc2)C(=O)N1c1ccc(C)cc1 ZINC000008685802 562962656 /nfs/dbraw/zinc/96/26/56/562962656.db2.gz IQXOXBKWFOMBQW-XMMPIXPASA-N 0 0 439.540 5.025 3 0 IKAFRN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2F)[C@H]1c1cccs1 ZINC000009432925 562970761 /nfs/dbraw/zinc/97/07/61/562970761.db2.gz LGYRSHHLFFNALN-FGZHOGPDSA-N 0 0 440.515 5.602 1 0 IKAFRN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2F)[C@H]1c1cccs1 ZINC000009432927 562970785 /nfs/dbraw/zinc/97/07/85/562970785.db2.gz LGYRSHHLFFNALN-FCHUYYIVSA-N 0 0 440.515 5.602 1 0 IKAFRN COc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)c1 ZINC000009432943 562970789 /nfs/dbraw/zinc/97/07/89/562970789.db2.gz JXHFUHHVXWYURH-XZOQPEGZSA-N 0 0 434.561 5.332 1 0 IKAFRN CCc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000009433245 562970849 /nfs/dbraw/zinc/97/08/49/562970849.db2.gz HISBXSOZVCIFOB-RPWUZVMVSA-N 0 0 432.589 5.886 1 0 IKAFRN CCOc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 ZINC000009433003 562970851 /nfs/dbraw/zinc/97/08/51/562970851.db2.gz DFBRJQZXOINNSB-DNQXCXABSA-N 0 0 448.588 5.722 1 0 IKAFRN CCc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009433243 562970862 /nfs/dbraw/zinc/97/08/62/562970862.db2.gz HISBXSOZVCIFOB-DNQXCXABSA-N 0 0 432.589 5.886 1 0 IKAFRN CCc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009433244 562970864 /nfs/dbraw/zinc/97/08/64/562970864.db2.gz HISBXSOZVCIFOB-BJKOFHAPSA-N 0 0 432.589 5.886 1 0 IKAFRN CCc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433631 562971001 /nfs/dbraw/zinc/97/10/01/562971001.db2.gz GTJDTDXOZNRPHG-DQEYMECFSA-N 0 0 444.600 6.173 1 0 IKAFRN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1 ZINC000009433641 562971007 /nfs/dbraw/zinc/97/10/07/562971007.db2.gz DGVWBPFNDGANNQ-BJKOFHAPSA-N 0 0 446.572 5.619 1 0 IKAFRN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1 ZINC000009433642 562971014 /nfs/dbraw/zinc/97/10/14/562971014.db2.gz DGVWBPFNDGANNQ-RPWUZVMVSA-N 0 0 446.572 5.619 1 0 IKAFRN O=C(Nc1ccncc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000011524159 562978782 /nfs/dbraw/zinc/97/87/82/562978782.db2.gz UJUDQUWVGQNGQC-UHFFFAOYSA-N 0 0 430.939 5.358 1 0 IKAFRN O=C(Cc1ccccc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000011524222 562978799 /nfs/dbraw/zinc/97/87/99/562978799.db2.gz KLFIDMJLIWONGW-UHFFFAOYSA-N 0 0 428.963 5.501 1 0 IKAFRN COc1ccc(-c2oc3ccc(-c4ccc(OC)nc4)cc3c2-c2ccc(OC)cc2)cc1 ZINC000012476761 562982295 /nfs/dbraw/zinc/98/22/95/562982295.db2.gz BZIMHDKEMYOVKK-UHFFFAOYSA-N 0 0 437.495 6.855 3 0 IKAFRN COC(=O)c1c2cc(-c3cc(OC)c(OC)c(OC)c3)ccc2oc1-c1ccc(OC)cc1 ZINC000012476684 562982296 /nfs/dbraw/zinc/98/22/96/562982296.db2.gz ZVZMIPSNYGDMJY-UHFFFAOYSA-N 0 0 448.471 5.588 3 0 IKAFRN COc1ccc(-c2c3cc(-c4ccc5c(c4)OCO5)ccc3oc2C2=CCCCC2)cn1 ZINC000012477489 562982308 /nfs/dbraw/zinc/98/23/08/562982308.db2.gz UQVKKYLXCXZZFZ-UHFFFAOYSA-N 0 0 425.484 6.857 3 0 IKAFRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)CC(c2ccc(Br)cc2)=NO1 ZINC000012725644 562982970 /nfs/dbraw/zinc/98/29/70/562982970.db2.gz UWFHDSWEVAYCAJ-HXUWFJFHSA-N 0 0 447.785 6.574 3 0 IKAFRN Cc1nc(C(=O)Nc2cc(F)cc(Cl)c2)sc1[C@]1(C)CC(c2ccccc2)=NO1 ZINC000012726807 562983083 /nfs/dbraw/zinc/98/30/83/562983083.db2.gz TXRJUIDMINTBRJ-NRFANRHFSA-N 0 0 429.904 5.536 3 0 IKAFRN O=C(c1c2ccccc2n(C(=O)c2ccccc2)c1C[C@@H](O)c1ccncc1)c1ccccc1 ZINC000013000770 562983880 /nfs/dbraw/zinc/98/38/80/562983880.db2.gz DMXAGYMQJXLOAU-AREMUKBSSA-N 0 0 446.506 5.232 1 0 IKAFRN CC(C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)cc1 ZINC000013025381 562984270 /nfs/dbraw/zinc/98/42/70/562984270.db2.gz NJGXLQREENWGGR-DEOSSOPVSA-N 0 0 431.536 5.245 3 0 IKAFRN Brc1ccc2c(c1)-c1nc3c(cc1CC2)CCc1ccc(Br)cc1-3 ZINC000013223292 562985684 /nfs/dbraw/zinc/98/56/84/562985684.db2.gz IXYGKUPFKSIHOL-UHFFFAOYSA-N 0 0 441.166 6.138 1 0 IKAFRN CC(C)=CCOc1cc2c3c(c(C(C)=O)c(O)c2c(O)c1CC=C(C)C)OC(C)(C)C=C3 ZINC000013308075 562985705 /nfs/dbraw/zinc/98/57/05/562985705.db2.gz ILDBGZHKNVSTSA-UHFFFAOYSA-N 0 0 436.548 6.492 1 0 IKAFRN COc1c(O)c(CC=C(C)C)c(CC=C(C)C)c2c1Oc1cc(O)cc(O)c1C(=O)O2 ZINC000013374248 562985877 /nfs/dbraw/zinc/98/58/77/562985877.db2.gz KGIATYCAIYWYED-UHFFFAOYSA-N 0 0 426.465 5.154 1 0 endogenous,in-man IKAFRN COc1ccc2c(c1OC1CCCC1)CN(C(C)=O)N=C2Cc1c(Cl)cncc1Cl ZINC000013435991 562986006 /nfs/dbraw/zinc/98/60/06/562986006.db2.gz UVOMWHXGFUBTQK-UHFFFAOYSA-N 0 0 448.350 5.027 1 0 IKAFRN FC(F)Oc1ccc([C@H](Cc2ccncc2)c2ccc(Cl)cc2)cc1OC1CCCC1 ZINC000013442065 562986485 /nfs/dbraw/zinc/98/64/85/562986485.db2.gz UQVHAWXUKZRMTH-JOCHJYFZSA-N 0 0 443.921 7.032 1 0 IKAFRN COc1cc(F)c([C@H](Cc2ccncc2)c2ccc(Cl)cc2)cc1OC1CCCC1 ZINC000013442057 562986498 /nfs/dbraw/zinc/98/64/98/562986498.db2.gz SYIRBUOZSOCAML-OAQYLSRUSA-N 0 0 425.931 6.579 1 0 IKAFRN COc1ccc([C@@H](Cc2ccncc2)c2ccc(Cl)cc2)c(F)c1OC1CCCC1 ZINC000013442059 562986514 /nfs/dbraw/zinc/98/65/14/562986514.db2.gz IZHRHJLGDDERDG-QFIPXVFZSA-N 0 0 425.931 6.579 1 0 IKAFRN CCCCCCC(=O)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCN(C(C)=O)C2 ZINC000013442682 562986587 /nfs/dbraw/zinc/98/65/87/562986587.db2.gz YEPURUNSZDWCJI-UHFFFAOYSA-N 0 0 447.000 5.446 1 0 IKAFRN CC1(C)c2cc(O)c(CCCOc3ccccc3)cc2O[C@@H]1CCc1ccc(Cl)cc1 ZINC000013453265 562987565 /nfs/dbraw/zinc/98/75/65/562987565.db2.gz CSYFESCVYXXHFC-AREMUKBSSA-N 0 0 436.979 6.729 1 0 IKAFRN CC(C)CC(C/C=C1\C[C@@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C ZINC000013470406 562987780 /nfs/dbraw/zinc/98/77/80/562987780.db2.gz PKVDZHIWRHABMS-OTLKODCTSA-N 0 0 438.649 5.551 1 0 IKAFRN CC(C)CC(C/C=C1\C[C@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C ZINC000013470407 562987802 /nfs/dbraw/zinc/98/78/02/562987802.db2.gz PKVDZHIWRHABMS-GEJHAGCNSA-N 0 0 438.649 5.551 1 0 IKAFRN CC(=O)N[C@H]1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000013471198 562987882 /nfs/dbraw/zinc/98/78/82/562987882.db2.gz LDMOLCOFCNCFPU-NRFANRHFSA-N 0 0 438.449 5.228 1 0 IKAFRN COc1cc(CCCCCCC[C@H](C)CC[C@H](O)c2cccs2)cc(OC)c1OC ZINC000013473260 562988221 /nfs/dbraw/zinc/98/82/21/562988221.db2.gz WKHDMCCYYYTPGK-FPOVZHCZSA-N 0 0 434.642 6.807 1 0 IKAFRN FC(F)(F)c1ccc(NC(=S)N2CCC(c3cccc(Br)c3)=N2)cc1 ZINC000013474240 562988657 /nfs/dbraw/zinc/98/86/57/562988657.db2.gz IBENKAFBRHHJPR-UHFFFAOYSA-N 0 0 428.277 5.275 1 0 IKAFRN C[S@@](=O)c1ccc(CSc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cc1 ZINC000013474279 562988678 /nfs/dbraw/zinc/98/86/78/562988678.db2.gz RHAQLHXFOGEKNC-PMERELPUSA-N 0 0 435.549 5.374 1 0 IKAFRN Cc1c(C(=O)NCC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000013474256 562988682 /nfs/dbraw/zinc/98/86/82/562988682.db2.gz QVFYVVPXPHGRPI-UHFFFAOYSA-N 0 0 436.770 6.194 1 0 IKAFRN CCCCCC[C@@H](O)C[C@@H]1C[C@@H]1CCCCCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000013475568 562988857 /nfs/dbraw/zinc/98/88/57/562988857.db2.gz HMAPHNNSGQIIAM-KMDXXIMOSA-N 0 0 447.660 6.105 1 0 IKAFRN O=C1OC(c2ccc(O)c(Cl)c2)(c2ccc(O)c(Cl)c2)c2cccc3cccc1c32 ZINC000013477123 562989070 /nfs/dbraw/zinc/98/90/70/562989070.db2.gz HCQHFJBXXMFZHF-UHFFFAOYSA-N 0 0 437.278 6.020 1 0 in-vitro IKAFRN CS(=O)(=O)c1ccc(-c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1 ZINC000013477385 562989089 /nfs/dbraw/zinc/98/90/89/562989089.db2.gz ZSGGGXOVUUUNHS-UHFFFAOYSA-N 0 0 426.335 5.668 1 0 IKAFRN CC[C@@H](CCOC)n1c(OC)nc2c1nccc2-c1ccc(OC(F)(F)F)cc1Cl ZINC000013479598 562989278 /nfs/dbraw/zinc/98/92/78/562989278.db2.gz OKEVPFNSMAXPBX-LBPRGKRZSA-N 0 0 443.853 5.647 1 0 IKAFRN CC[C@@H](CCOC)n1c(COC)nc2c1nccc2-c1ccc(C(F)(F)F)cc1Cl ZINC000013479604 562989303 /nfs/dbraw/zinc/98/93/03/562989303.db2.gz UAMUNBPVIAWLPB-AWEZNQCLSA-N 0 0 441.881 5.905 1 0 IKAFRN Cc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000013487468 562989342 /nfs/dbraw/zinc/98/93/42/562989342.db2.gz MFUZCXUEYBFBMH-UHFFFAOYSA-N 0 0 434.948 6.676 1 0 IKAFRN O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000013487482 562989343 /nfs/dbraw/zinc/98/93/43/562989343.db2.gz WWQHAWQGPLJNQO-UHFFFAOYSA-N 0 0 441.339 6.713 1 0 IKAFRN C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1C(F)(F)F ZINC000013490208 562990173 /nfs/dbraw/zinc/99/01/73/562990173.db2.gz GQNAPFUXJOPLSJ-SZNDQCEHSA-N 0 0 446.419 6.576 1 0 IKAFRN CCCc1nc2cc(OCC)c(OCC)cc2c(Nc2cccc(-c3csc(C)n3)c2)n1 ZINC000013490818 562990271 /nfs/dbraw/zinc/99/02/71/562990271.db2.gz PXCLDPNPNKAPIJ-UHFFFAOYSA-N 0 0 448.592 6.555 1 0 IKAFRN Clc1cccc(N2CCN(Cc3cn(-c4ccccc4)c(-c4ccccc4)n3)CC2)c1 ZINC000013491640 562990443 /nfs/dbraw/zinc/99/04/43/562990443.db2.gz FISSWGCIUFVFKT-UHFFFAOYSA-N 0 0 428.967 5.515 1 0 IKAFRN O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1 ZINC000013491632 562990461 /nfs/dbraw/zinc/99/04/61/562990461.db2.gz YJYMXCFUNVLJOC-UHFFFAOYSA-N 0 0 446.378 5.072 1 0 IKAFRN Cc1ccccc1N1N=C(c2c(-c3cccc(Cl)c3Cl)nc3ccccn32)CCC1=O ZINC000013493050 562990820 /nfs/dbraw/zinc/99/08/20/562990820.db2.gz ZHYLCLLSWFBKEF-UHFFFAOYSA-N 0 0 449.341 6.148 1 0 IKAFRN Cc1ccccc1N1N=C(c2c(-c3ccc(F)cc3Cl)nc3ccccn32)CCC1=O ZINC000013493052 562990827 /nfs/dbraw/zinc/99/08/27/562990827.db2.gz FMCXTTHVULYFDI-UHFFFAOYSA-N 0 0 432.886 5.633 1 0 IKAFRN Nc1sc(Br)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 ZINC000013518377 562991106 /nfs/dbraw/zinc/99/11/06/562991106.db2.gz BNBSJESRUXAAQX-UHFFFAOYSA-N 0 0 426.257 6.010 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)Cc1cccs1 ZINC000013517595 562991116 /nfs/dbraw/zinc/99/11/16/562991116.db2.gz HOXXZIGMLCYDKG-WTIHWRCNSA-N 0 0 427.698 7.941 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)Cc1ccsc1 ZINC000013517610 562991164 /nfs/dbraw/zinc/99/11/64/562991164.db2.gz SRJYIYYIALICKM-WTIHWRCNSA-N 0 0 427.698 7.941 1 0 IKAFRN CC(C)(CCCCCOCCc1ccccc1)[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21 ZINC000013524214 562991490 /nfs/dbraw/zinc/99/14/90/562991490.db2.gz SAGQYGYKRVWICY-UHFFFAOYSA-N 0 0 442.625 5.026 1 0 IKAFRN O=C(Nc1ccc(C(=O)N2CCCCc3[nH]ccc32)cc1)c1ccccc1-c1ccccc1 ZINC000013532163 562992185 /nfs/dbraw/zinc/99/21/85/562992185.db2.gz CZEMALQIHKWPAQ-UHFFFAOYSA-N 0 0 435.527 5.917 1 0 IKAFRN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3CCc3ccccc32)cc1 ZINC000013534484 562992251 /nfs/dbraw/zinc/99/22/51/562992251.db2.gz KWUXZRHGULTCMW-UHFFFAOYSA-N 0 0 446.550 6.193 1 0 IKAFRN Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)c1C ZINC000013534547 562992355 /nfs/dbraw/zinc/99/23/55/562992355.db2.gz QGOKJKVNYIGYAR-UHFFFAOYSA-N 0 0 435.527 5.566 1 0 IKAFRN COc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)ncn1 ZINC000013536633 562992450 /nfs/dbraw/zinc/99/24/50/562992450.db2.gz XZPAQTIEKMWUQB-UHFFFAOYSA-N 0 0 425.901 5.053 1 0 IKAFRN CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(CC(F)(F)F)c1=O ZINC000013536132 562992482 /nfs/dbraw/zinc/99/24/82/562992482.db2.gz HVBJSCZLALGKMU-UHFFFAOYSA-N 0 0 425.495 5.033 1 0 IKAFRN COc1cc2ccccc2c(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)c1 ZINC000013538870 562992581 /nfs/dbraw/zinc/99/25/81/562992581.db2.gz ZDKLWDSXXJAOQM-UHFFFAOYSA-N 0 0 428.536 6.284 1 0 IKAFRN O=[P@@](OC1CCCC1)(c1ccccc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1 ZINC000013557150 562993278 /nfs/dbraw/zinc/99/32/78/562993278.db2.gz MDXCEQQMOSSLLY-MUUNZHRXSA-N 0 0 437.307 6.271 1 0 IKAFRN Cc1cc(=O)c(Oc2ccc(Cl)c(Cl)c2)c(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000013581211 562994568 /nfs/dbraw/zinc/99/45/68/562994568.db2.gz XBJLUPRGUGUHSA-UHFFFAOYSA-N 0 0 425.289 5.118 1 0 IKAFRN Cc1ccc2c(-c3ccnc(Nc4ccccc4)n3)c(-c3ccc(C(F)(F)F)cc3)nn2n1 ZINC000013582747 562994768 /nfs/dbraw/zinc/99/47/68/562994768.db2.gz SYZWMFMFXHAARO-UHFFFAOYSA-N 0 0 446.436 5.924 1 0 IKAFRN CCCC(CCC)n1c(CC)nc2c1C(=O)N(C)[C@@H](C)N2c1ccc(Cl)cc1Cl ZINC000013582860 562994836 /nfs/dbraw/zinc/99/48/36/562994836.db2.gz GBBLRCADDGKPGT-CQSZACIVSA-N 0 0 437.415 6.463 1 0 IKAFRN CCCN(Cc1ccccc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn21 ZINC000013583177 562994840 /nfs/dbraw/zinc/99/48/40/562994840.db2.gz PFUUOOOSLMHWRW-UHFFFAOYSA-N 0 0 428.584 5.199 1 0 IKAFRN CCCC[C@H](NC(=O)OCC1(CC)CCCCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000013583796 562994952 /nfs/dbraw/zinc/99/49/52/562994952.db2.gz KKUUREQXUQEOOC-CTNGQTDRSA-N 0 0 430.589 5.078 1 0 IKAFRN Oc1ccc(-c2nn3c(nc(C(F)(F)F)cc3C(F)(F)F)c2-c2cccc(O)c2)cc1 ZINC000013584999 562995002 /nfs/dbraw/zinc/99/50/02/562995002.db2.gz DXHJNBSIKSDYRU-UHFFFAOYSA-N 0 0 439.315 5.512 1 0 IKAFRN CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(-c3ccco3)[nH]c(=O)c12 ZINC000013585154 562995014 /nfs/dbraw/zinc/99/50/14/562995014.db2.gz BPSWCIJJZXZBQB-UHFFFAOYSA-N 0 0 427.700 5.051 1 0 IKAFRN COc1cc(NC(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)cc(C(F)(F)F)c1 ZINC000013587421 562995645 /nfs/dbraw/zinc/99/56/45/562995645.db2.gz PKISAKMOTUYTCV-UHFFFAOYSA-N 0 0 431.436 5.078 1 0 IKAFRN O=C1NCc2cc(Sc3ccc(F)cc3F)ccc2N1c1c(Cl)cccc1Cl ZINC000013588787 562996069 /nfs/dbraw/zinc/99/60/69/562996069.db2.gz LHMSHUCIZNTECD-UHFFFAOYSA-N 0 0 437.298 6.784 1 0 IKAFRN O=C1NCc2cc(NS(=O)(=O)c3ccccc3)ccc2N1c1c(Cl)cccc1Cl ZINC000013588789 562996080 /nfs/dbraw/zinc/99/60/80/562996080.db2.gz YVKDDHURIIEUNL-UHFFFAOYSA-N 0 0 448.331 5.156 1 0 IKAFRN CCCNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)c1 ZINC000013589521 562996404 /nfs/dbraw/zinc/99/64/04/562996404.db2.gz QUZVAUUHBXZYSQ-UHFFFAOYSA-N 0 0 436.512 5.548 1 0 IKAFRN Cc1cn(CCC2CCCCC2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589718 562996458 /nfs/dbraw/zinc/99/64/58/562996458.db2.gz XBELIXRJJBCGOR-UHFFFAOYSA-N 0 0 446.378 6.113 1 0 IKAFRN CCCCN(C)C(=O)CCCCCS[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013601022 562996756 /nfs/dbraw/zinc/99/67/56/562996756.db2.gz IWNRXDASBQTUKA-XMMPIXPASA-N 0 0 429.626 5.934 1 0 IKAFRN CCCC[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000013602229 562996983 /nfs/dbraw/zinc/99/69/83/562996983.db2.gz BTFSUOFABFBNDM-KLTAGVMUSA-N 0 0 444.788 8.885 1 0 IKAFRN COCOc1cc(C(C)(C)C)ccc1-c1ccc(C(=O)OC[C@H](C)CC(C)(C)C)cc1 ZINC000013603809 562997058 /nfs/dbraw/zinc/99/70/58/562997058.db2.gz QEFZDJLXQKYPDY-LJQANCHMSA-N 0 0 426.597 6.863 1 0 IKAFRN O=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)NCc1ccccc1 ZINC000013607407 562997341 /nfs/dbraw/zinc/99/73/41/562997341.db2.gz JRZIGYIBOCKYJT-UHFFFAOYSA-N 0 0 444.749 5.820 1 0 IKAFRN CCCCN(CCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cccn12 ZINC000013607330 562997363 /nfs/dbraw/zinc/99/73/63/562997363.db2.gz FHIPKYFSLFDLBD-UHFFFAOYSA-N 0 0 432.395 6.279 1 0 IKAFRN O=C(Cc1c(-c2ccccc2)nc2c(Cl)cc(Cl)cn12)N1CCc2ccccc2C1 ZINC000013607388 562997370 /nfs/dbraw/zinc/99/73/70/562997370.db2.gz SRFABXYYYLFIHZ-UHFFFAOYSA-N 0 0 436.342 5.436 1 0 IKAFRN CN(C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)c1ccccc1 ZINC000013607427 562997383 /nfs/dbraw/zinc/99/73/83/562997383.db2.gz NZIYXDPUJYAIRB-UHFFFAOYSA-N 0 0 444.749 6.167 1 0 IKAFRN CCCCN(CCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn21 ZINC000013607338 562997403 /nfs/dbraw/zinc/99/74/03/562997403.db2.gz HKBISMPXKXOUHD-UHFFFAOYSA-N 0 0 432.395 6.279 1 0 IKAFRN COc1ccccc1NC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc32)cc1 ZINC000013610082 562997680 /nfs/dbraw/zinc/99/76/80/562997680.db2.gz JGRUAZVMJJCPHI-UHFFFAOYSA-N 0 0 445.475 5.697 1 0 IKAFRN CCC[C@@H](c1ccccc1)N(CCC)c1nc(-c2cc(OC)c(OC)cc2Cl)n(C)n1 ZINC000013610728 562997734 /nfs/dbraw/zinc/99/77/34/562997734.db2.gz HKCQVNFUVMJATG-FQEVSTJZSA-N 0 0 442.991 5.911 1 0 IKAFRN CCCC[C@@H](c1ccc(F)cc1)N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1 ZINC000013610721 562997786 /nfs/dbraw/zinc/99/77/86/562997786.db2.gz ZPMVACUFPBEMLZ-QFIPXVFZSA-N 0 0 440.563 5.786 1 0 IKAFRN CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4cccs4)c3)o2)c1 ZINC000013611324 562997879 /nfs/dbraw/zinc/99/78/79/562997879.db2.gz KOJNZGHIASJHCV-UHFFFAOYSA-N 0 0 440.546 5.616 1 0 IKAFRN C[C@@H]1CN(c2ncccc2C(F)(F)F)[C@@H](C)CN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000013612001 562997929 /nfs/dbraw/zinc/99/79/29/562997929.db2.gz QJNOWROIDIKPST-QWHCGFSZSA-N 0 0 446.395 5.250 1 0 IKAFRN COc1ccc2cc([C@H](C)C(=O)OC[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)ccc2c1 ZINC000013652320 562999357 /nfs/dbraw/zinc/99/93/57/562999357.db2.gz LJROIJOTAXGHOO-XDBZFTIUSA-N 0 0 448.559 5.910 1 0 IKAFRN Cc1ccc(-c2ccc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661842 562999788 /nfs/dbraw/zinc/99/97/88/562999788.db2.gz PUHUOPDTCVDJOL-WVFHAGKJSA-N 0 0 425.547 6.713 3 0 IKAFRN O=C1[C@H]2[C@H](C=CC[C@@H]2c2ccccc2)[C@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000013661925 562999789 /nfs/dbraw/zinc/99/97/89/562999789.db2.gz XMAWSJPZUBLDAT-ATIZSFMBSA-N 0 0 429.563 6.899 3 0 IKAFRN O=C1[C@H]2[C@@H](C=CC[C@@H]2c2ccccc2)[C@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000013661919 562999800 /nfs/dbraw/zinc/99/98/00/562999800.db2.gz XMAWSJPZUBLDAT-CSBHBGLHSA-N 0 0 429.563 6.899 3 0 IKAFRN COc1ccc(-c2ccc(C)cc2)cc1[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013661855 562999815 /nfs/dbraw/zinc/99/98/15/562999815.db2.gz UYTCXJUVDNZGAE-BTIIJPOSSA-N 0 0 437.583 6.727 3 0 IKAFRN C[C@@]12CCC=C[C@H]1[C@H](c1ccc3ccccc3c1Br)N(Cc1ccccc1)C2=O ZINC000013662077 562999883 /nfs/dbraw/zinc/99/98/83/562999883.db2.gz MKUQHWSYDVIMFL-LLZJGCNPSA-N 0 0 446.388 6.658 3 0 IKAFRN O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc(-c2ccccn2)nc2ccccc21 ZINC000013672123 562999977 /nfs/dbraw/zinc/99/99/77/562999977.db2.gz QIYCMVABTPBDHT-UHFFFAOYSA-N 0 0 430.467 5.179 1 0 IKAFRN CC[C@H]1Cn2nc(-c3ccc(Cl)cc3C(F)(F)F)c3nc(C)cc(c32)N1CC1CC1 ZINC000013672732 563000116 /nfs/dbraw/zinc/00/01/16/563000116.db2.gz NYJOIYWVTXGYKE-HNNXBMFYSA-N 0 0 434.893 6.088 1 0 IKAFRN CCCCC1(CCCC)CS(=O)(=O)c2c(F)cccc2[C@@H](c2ccc(F)cc2)[C@H]1O ZINC000013673006 563000157 /nfs/dbraw/zinc/00/01/57/563000157.db2.gz RSDQMFHNXSBCKK-FYYLOGMGSA-N 0 0 436.564 5.612 1 0 IKAFRN CC(C)c1cccc(-c2ccc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@@H]34)nc2)c1 ZINC000013673179 563000201 /nfs/dbraw/zinc/00/02/01/563000201.db2.gz FCDCDLBCDZWBGP-DQKVUGDJSA-N 0 0 429.604 6.889 1 0 IKAFRN COC(=O)CCC/C=C(/c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(Cl)ccc1OC ZINC000013673843 563000279 /nfs/dbraw/zinc/00/02/79/563000279.db2.gz WVDFUUVBXHPJPC-LSCVHKIXSA-N 0 0 446.927 5.227 1 0 IKAFRN CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO ZINC000013679539 563000796 /nfs/dbraw/zinc/00/07/96/563000796.db2.gz TZUOUKOUMVGQRG-FARPMTRTSA-N 0 0 434.661 6.445 1 0 IKAFRN CC(C)Oc1cccc(-n2c(C[C@H](C)c3c[nH]c4ccccc43)nc3ccccc3c2=O)c1 ZINC000013725300 563001308 /nfs/dbraw/zinc/00/13/08/563001308.db2.gz QURZOMSKRFTYKQ-IBGZPJMESA-N 0 0 437.543 6.000 1 0 IKAFRN CCOC(=O)C1C(C)=NC(=S)N(C(=O)OC(C)C)[C@H]1c1ccccc1C(F)(F)F ZINC000013726834 563001382 /nfs/dbraw/zinc/00/13/82/563001382.db2.gz ZYPBDHKAFJRVJM-IDTYTIONSA-N 0 0 430.448 5.159 1 0 IKAFRN CCOC(=O)C1C(C)=NC(=S)N(C(=O)OC(C)C)[C@@H]1c1ccccc1C(F)(F)F ZINC000013726831 563001433 /nfs/dbraw/zinc/00/14/33/563001433.db2.gz ZYPBDHKAFJRVJM-DPEHCCBOSA-N 0 0 430.448 5.159 1 0 IKAFRN CC(=O)O[C@@H]1c2c(c3c(c4c(-c5ccccc5)cc(=O)oc42)OC(C)(C)C=C3)O[C@H](C)[C@H]1C ZINC000013732266 563001876 /nfs/dbraw/zinc/00/18/76/563001876.db2.gz DDHWWLULUFLVOI-WBPRFABPSA-N 0 0 446.499 5.665 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000013736825 563002433 /nfs/dbraw/zinc/00/24/33/563002433.db2.gz FHRUITWXUUUWPZ-UHFFFAOYSA-N 0 0 446.557 7.586 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NCc1ccccn1)c1ccccc1 ZINC000013737286 563002475 /nfs/dbraw/zinc/00/24/75/563002475.db2.gz RLKGOOILEBUPFL-RUZDIDTESA-N 0 0 430.596 5.981 1 0 IKAFRN CCCCC(=O)NC[C@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737138 563002484 /nfs/dbraw/zinc/00/24/84/563002484.db2.gz FQZPCVQZRHGOJY-JOCHJYFZSA-N 0 0 437.628 6.145 1 0 IKAFRN CCCCC(=O)NC[C@@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737137 563002499 /nfs/dbraw/zinc/00/24/99/563002499.db2.gz FQZPCVQZRHGOJY-QFIPXVFZSA-N 0 0 437.628 6.145 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000013737230 563002512 /nfs/dbraw/zinc/00/25/12/563002512.db2.gz GHXVJPSAEFEGAN-DEOSSOPVSA-N 0 0 444.579 5.621 1 0 IKAFRN COc1ccc(C(=O)NC(C)(C)CNC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000013737236 563002521 /nfs/dbraw/zinc/00/25/21/563002521.db2.gz AKWGOWPJISZYAD-UHFFFAOYSA-N 0 0 425.573 5.272 1 0 IKAFRN COc1ccc(-c2c(NC(=O)Nc3ccc(F)cc3F)cnc3ccc(Cl)cc32)cc1 ZINC000013737640 563002596 /nfs/dbraw/zinc/00/25/96/563002596.db2.gz VTABNCCHKYTPIF-UHFFFAOYSA-N 0 0 439.849 6.486 1 0 IKAFRN COc1ncccc1CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000013738238 563002760 /nfs/dbraw/zinc/00/27/60/563002760.db2.gz PFEWHKGZKPTSCN-UHFFFAOYSA-N 0 0 431.967 5.335 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)NC(c1ccccc1)c1ccccc1 ZINC000013738004 563002819 /nfs/dbraw/zinc/00/28/19/563002819.db2.gz LTBGPKCCKBQIQA-UHFFFAOYSA-N 0 0 429.564 6.554 1 0 IKAFRN COc1ccc2[nH]c(-c3ccccc3)c(CCNC(=O)C34CC5CC(CC(C5)C3)C4)c2c1 ZINC000013740891 563003189 /nfs/dbraw/zinc/00/31/89/563003189.db2.gz JRZQABGVYFHJRG-UHFFFAOYSA-N 0 0 428.576 5.719 1 0 IKAFRN COC(=O)c1ccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000013741251 563003329 /nfs/dbraw/zinc/00/33/29/563003329.db2.gz PLRJNLJFUOQXEN-MHZLTWQESA-N 0 0 449.550 5.705 1 0 IKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc2ccccc2c1 ZINC000013742762 563003491 /nfs/dbraw/zinc/00/34/91/563003491.db2.gz QLQCYZKRLUWPPE-WWBHIXJPSA-N 0 0 442.603 5.692 1 0 IKAFRN Cc1nc2cnccc2n1-c1ccc([C@@H]2Cc3cc(Cl)c(Cl)cc3NC(=O)C2)cc1 ZINC000013743148 563003623 /nfs/dbraw/zinc/00/36/23/563003623.db2.gz NFBYUJIXBSLXHC-OAHLLOKOSA-N 0 0 437.330 5.704 1 0 IKAFRN COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CC3(CC3)C2)cc1Br ZINC000013745534 563003820 /nfs/dbraw/zinc/00/38/20/563003820.db2.gz UDBCPQXVYFZBDG-UHFFFAOYSA-N 0 0 433.367 5.346 1 0 IKAFRN O=C(N[C@H]1c2ccccc2OC[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 ZINC000013755694 563004289 /nfs/dbraw/zinc/00/42/89/563004289.db2.gz QOTCWRLMSFLHKL-NAKRPHOHSA-N 0 0 435.523 5.558 1 0 IKAFRN O=C(N[C@H]1c2ccccc2CC[C@@H]1c1ccccc1O)C(c1ccccc1)c1ccccc1 ZINC000013755648 563004295 /nfs/dbraw/zinc/00/42/95/563004295.db2.gz UNDZFRDGNNEQDT-UHSQPCAPSA-N 0 0 433.551 6.112 1 0 IKAFRN O=C(N[C@@H]1c2ccc(O)cc2CC[C@@H]1c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000013755671 563004327 /nfs/dbraw/zinc/00/43/27/563004327.db2.gz HUPLWXPMAHRRPY-UHSQPCAPSA-N 0 0 433.551 6.112 1 0 IKAFRN O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1Cl ZINC000013757926 563004591 /nfs/dbraw/zinc/00/45/91/563004591.db2.gz OPGTYZLENOOKIS-UHFFFAOYSA-N 0 0 425.315 5.839 1 0 IKAFRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](O)(CCCc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013760837 563004900 /nfs/dbraw/zinc/00/49/00/563004900.db2.gz NBESPTYNJZOADM-YAVATZFESA-N 0 0 436.680 6.988 1 0 IKAFRN COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)c1ccccc1 ZINC000013762388 563005337 /nfs/dbraw/zinc/00/53/37/563005337.db2.gz FXGIDODTRRIPTL-QHCPKHFHSA-N 0 0 430.891 5.199 1 0 IKAFRN Clc1sccc1CO[C@H]1c2cc(Cl)c(Cl)cc2S[C@H]1Cn1ccnc1 ZINC000013775766 563005725 /nfs/dbraw/zinc/00/57/25/563005725.db2.gz YEHKRXJFFRNTNF-HOTGVXAUSA-N 0 0 431.797 6.337 1 0 IKAFRN Clc1ccc2c(c1)[C@@H](OCc1ccc(Cl)cc1Cl)[C@H](Cn1ccnc1)S2 ZINC000013775784 563005764 /nfs/dbraw/zinc/00/57/64/563005764.db2.gz QUQDOQTVANCRAB-RBUKOAKNSA-N 0 0 425.768 6.276 1 0 IKAFRN Clc1ccc(CO[C@H]2c3c(cc(Cl)cc3Cl)S[C@@H]2Cn2ccnc2)cc1 ZINC000013775796 563005792 /nfs/dbraw/zinc/00/57/92/563005792.db2.gz HLISQAYPWNMIHC-IEBWSBKVSA-N 0 0 425.768 6.276 1 0 IKAFRN Cc1onc(-c2ccccc2)c1CO[C@@H]1c2ccc(Cl)cc2S[C@@H]1Cn1ccnc1 ZINC000013775820 563005803 /nfs/dbraw/zinc/00/58/03/563005803.db2.gz KTPODXPJZYIBRB-FYYLOGMGSA-N 0 0 437.952 5.932 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(Br)n1)Oc1ccccc1-3 ZINC000013777141 563005923 /nfs/dbraw/zinc/00/59/23/563005923.db2.gz XCSXILAHHMAZHI-QHCPKHFHSA-N 0 0 433.349 6.600 1 0 IKAFRN CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1 ZINC000013779663 563006243 /nfs/dbraw/zinc/00/62/43/563006243.db2.gz OMZXMEGRZKDGGH-UHFFFAOYSA-N 0 0 447.554 5.187 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-n3cccn3)cc2)C2CCCCCC2)c(C)c1 ZINC000013779973 563006306 /nfs/dbraw/zinc/00/63/06/563006306.db2.gz WBDJZFPTCOPZKU-UHFFFAOYSA-N 0 0 430.596 6.554 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-n3ccnn3)cc2)C2CCCCCC2)c(C)c1 ZINC000013779986 563006343 /nfs/dbraw/zinc/00/63/43/563006343.db2.gz BCSOAOKLWFTXGN-UHFFFAOYSA-N 0 0 431.584 5.949 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3nnn(C)n3)c2)C2CCCCCC2)c(C)c1 ZINC000013779992 563006421 /nfs/dbraw/zinc/00/64/21/563006421.db2.gz SOBPTSWFDOONSE-UHFFFAOYSA-N 0 0 446.599 5.559 1 0 IKAFRN CCN1c2ncc(CCc3ccc4ccccc4c3)cc2C(=O)N(C)c2ccc(F)nc21 ZINC000013780553 563006476 /nfs/dbraw/zinc/00/64/76/563006476.db2.gz FESKECLMGVLGFJ-UHFFFAOYSA-N 0 0 426.495 5.302 1 0 IKAFRN O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc(-c2ccccn2)cc2ccccc21 ZINC000013781346 563006624 /nfs/dbraw/zinc/00/66/24/563006624.db2.gz GWNBKSYDEHEQNG-UHFFFAOYSA-N 0 0 429.479 5.784 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccc(Br)cc1)Oc1ccccc1-3 ZINC000013781702 563006708 /nfs/dbraw/zinc/00/67/08/563006708.db2.gz VDIVRRZLTFUVFZ-UCQKPKSFSA-N 0 0 444.372 7.614 1 0 IKAFRN C[C@@H]1C(=O)CC[C@H]2[C@@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000013783628 563006922 /nfs/dbraw/zinc/00/69/22/563006922.db2.gz OFMXGFHWLZPCFL-LNDHJCIDSA-N 0 0 426.729 8.457 1 0 IKAFRN CCCN(CCC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 ZINC000013794452 563007015 /nfs/dbraw/zinc/00/70/15/563007015.db2.gz LFJWAPUZRNOCQK-UHFFFAOYSA-N 0 0 433.438 6.455 1 0 IKAFRN CCCCN(CC)c1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794831 563007182 /nfs/dbraw/zinc/00/71/82/563007182.db2.gz TUOIPNGYLGXOJR-UHFFFAOYSA-N 0 0 430.394 5.636 1 0 IKAFRN CC[C@@H](CCOC)Nc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794869 563007192 /nfs/dbraw/zinc/00/71/92/563007192.db2.gz LNCULDPBYGRCCU-INIZCTEOSA-N 0 0 446.393 5.237 1 0 IKAFRN CCCC[C@H](CC)Oc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794913 563007203 /nfs/dbraw/zinc/00/72/03/563007203.db2.gz CLKMAPNSJGSCMG-KRWDZBQOSA-N 0 0 445.405 6.357 1 0 IKAFRN CC[C@H](CCOC)Nc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794872 563007215 /nfs/dbraw/zinc/00/72/15/563007215.db2.gz LNCULDPBYGRCCU-MRXNPFEDSA-N 0 0 446.393 5.237 1 0 IKAFRN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000013795608 563007272 /nfs/dbraw/zinc/00/72/72/563007272.db2.gz PQPGIXLRLWOMKC-MUUNZHRXSA-N 0 0 428.535 6.616 1 0 IKAFRN C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(C(F)(F)F)c1)Oc1ccccc1-3 ZINC000013796873 563007527 /nfs/dbraw/zinc/00/75/27/563007527.db2.gz FZORYLRILGENBG-FATZIPQQSA-N 0 0 437.461 6.731 1 0 IKAFRN Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2Cc1ccccc1 ZINC000013797561 563007568 /nfs/dbraw/zinc/00/75/68/563007568.db2.gz GUUSRQYNMVBLTK-VPUSJEBWSA-N 0 0 427.548 5.545 1 0 IKAFRN COc1ccc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc1-c1cccnc1 ZINC000013806160 563008397 /nfs/dbraw/zinc/00/83/97/563008397.db2.gz RCKUMMWWCMFKRU-UHFFFAOYSA-N 0 0 443.425 5.379 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3c(F)cccc3F)c1)CC2 ZINC000013806111 563008431 /nfs/dbraw/zinc/00/84/31/563008431.db2.gz NIHPOZNNOSDBPX-UHFFFAOYSA-N 0 0 449.379 5.649 1 0 IKAFRN CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3ccncc3)c1)CC2 ZINC000013806125 563008433 /nfs/dbraw/zinc/00/84/33/563008433.db2.gz QDVHEIVLSTYDLY-UHFFFAOYSA-N 0 0 429.467 6.084 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3C)c1)CC2 ZINC000013806136 563008435 /nfs/dbraw/zinc/00/84/35/563008435.db2.gz HHPRAHDTAYRIFT-UHFFFAOYSA-N 0 0 427.426 5.679 1 0 IKAFRN COc1ccc2c(c1)c(CC(=O)OCCc1ccccc1)cn2C(=O)c1ccc(Cl)cc1 ZINC000013809429 563008885 /nfs/dbraw/zinc/00/88/85/563008885.db2.gz FMPIKVDHIDEYBE-UHFFFAOYSA-N 0 0 447.918 5.320 1 0 IKAFRN CC(=O)c1ccc(-c2cccc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1 ZINC000013813371 563008997 /nfs/dbraw/zinc/00/89/97/563008997.db2.gz UWRKNUHLIMKYAG-FKTIWSFWSA-N 0 0 435.567 6.468 3 0 IKAFRN COc1cc2oc(=O)cc(-c3ccc(-c4ccc(NC(C)=O)cc4)cc3)c2c(OC)c1OC ZINC000013814023 563009088 /nfs/dbraw/zinc/00/90/88/563009088.db2.gz WSELDYTXWAUCDH-UHFFFAOYSA-N 0 0 445.471 5.111 1 0 IKAFRN COc1ccc(-c2ccc(-c3cc(=O)oc4cc(OC)c(OC)c(OC)c43)cc2)cc1F ZINC000013813986 563009094 /nfs/dbraw/zinc/00/90/94/563009094.db2.gz BBQFIZOBRZOLAG-UHFFFAOYSA-N 0 0 436.435 5.301 3 0 IKAFRN O=C(c1ccccc1)c1cc2cccnc2c(-c2cccc(I)c2)c1 ZINC000013814064 563009216 /nfs/dbraw/zinc/00/92/16/563009216.db2.gz GLMLPGHDUUQGGA-UHFFFAOYSA-N 0 0 435.264 5.737 1 0 IKAFRN C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OCc2ccc(Cl)cc2)C1 ZINC000013823438 563010274 /nfs/dbraw/zinc/01/02/74/563010274.db2.gz ADZPEGVGCRMCJB-XQKIWWHESA-N 0 0 444.999 5.476 1 0 IKAFRN CN(C)c1cccc(OCCCn2cnc(-c3ccccc3)c2)c1NC(=O)NC1CCCC1 ZINC000013827532 563010689 /nfs/dbraw/zinc/01/06/89/563010689.db2.gz MSLBOGVJFFFZOS-UHFFFAOYSA-N 0 0 447.583 5.149 1 0 IKAFRN CCCCCNC(=O)Nc1c(CC)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827667 563010719 /nfs/dbraw/zinc/01/07/19/563010719.db2.gz WVAWJCRYMRRAIF-UHFFFAOYSA-N 0 0 448.611 6.202 1 0 IKAFRN COc1ccc(-c2ccc(F)cc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013829710 563010910 /nfs/dbraw/zinc/01/09/10/563010910.db2.gz LJUDQBSVMGSVLY-MLXWKZDWSA-N 0 0 441.546 6.413 1 0 IKAFRN CC(=O)c1ccc(-c2cccc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 ZINC000013829787 563011015 /nfs/dbraw/zinc/01/10/15/563011015.db2.gz ZDOITGLQBHPYRW-PKZQBKLLSA-N 0 0 435.567 6.612 1 0 IKAFRN COc1ccc(/C=C/c2ccccc2)cc1[C@@H]1[C@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013830577 563011121 /nfs/dbraw/zinc/01/11/21/563011121.db2.gz AKPXMNGPDDQCPF-QHVCTWJJSA-N 0 0 449.594 6.922 1 0 IKAFRN CCCCCCOc1ccc(C(=O)N2CCC(N3c4ccccc4CCC3=O)CC2)cc1 ZINC000013832046 563011219 /nfs/dbraw/zinc/01/12/19/563011219.db2.gz STAYDBJPFFMILJ-UHFFFAOYSA-N 0 0 434.580 5.230 1 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1c(Cl)cccc1Cl ZINC000013835224 563012157 /nfs/dbraw/zinc/01/21/57/563012157.db2.gz IQFRLLQQBODHNR-KZYPNPOXSA-N 0 0 431.403 6.529 1 0 IKAFRN COc1cccc(C(=O)N2CCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000013981556 563014155 /nfs/dbraw/zinc/01/41/55/563014155.db2.gz HYAZLEWRQQTIKR-UHFFFAOYSA-N 0 0 428.941 5.287 1 0 IKAFRN COc1cccc(C(=O)N2CCCC2)c1O[C@@H](C)c1csc(-c2ccc(Cl)cc2)n1 ZINC000014210005 563014467 /nfs/dbraw/zinc/01/44/67/563014467.db2.gz JVEFYZADNCMYJH-HNNXBMFYSA-N 0 0 442.968 5.848 1 0 IKAFRN COc1ccc2cc1Oc1ccc(cc1)CCc1ccc(c(O)c1)Oc1cccc(c1)CC2 ZINC000014613072 563014616 /nfs/dbraw/zinc/01/46/16/563014616.db2.gz ACTNIVURBGOQCE-UHFFFAOYSA-N 0 0 438.523 6.869 1 0 IKAFRN COc1cc(O)cc2c1-c1c(O)cc(cc1O)CCCCCCCCCCCCCC2 ZINC000014763950 563014961 /nfs/dbraw/zinc/01/49/61/563014961.db2.gz VHTRJVITHPENFV-UHFFFAOYSA-N 0 0 426.597 7.259 1 0 IKAFRN CC(C)(C)c1ccc(Nc2nnc(-c3cc4ccccc4nc3CCc3ccncc3)o2)cc1 ZINC000014946588 563015361 /nfs/dbraw/zinc/01/53/61/563015361.db2.gz SEUSNLQOSNVICG-UHFFFAOYSA-N 0 0 449.558 6.506 1 0 IKAFRN CNc1nc(-c2ccccc2Cl)c2c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000014962924 563016280 /nfs/dbraw/zinc/01/62/80/563016280.db2.gz HOIKLTSATLOGGQ-UHFFFAOYSA-N 0 0 434.714 5.507 1 0 IKAFRN COc1ccccc1-c1ccc2c(c1)C([C@@H](C)OCCCc1ccccc1)=CC(C)(C)N2 ZINC000014968822 563016461 /nfs/dbraw/zinc/01/64/61/563016461.db2.gz LQSQZDKLBRTUSD-OAQYLSRUSA-N 0 0 427.588 6.988 1 0 IKAFRN COc1ccccc1-c1ccc2c(c1)C([C@@H](C)OCCc1cccc(Cl)c1)=CC(C)(C)N2 ZINC000014968846 563016481 /nfs/dbraw/zinc/01/64/81/563016481.db2.gz QRCFBGIHXCXGIS-LJQANCHMSA-N 0 0 448.006 7.251 1 0 IKAFRN COc1ccc(NCc2ccc(C(=O)Nc3cc(-c4ccoc4)ccc3N)cc2)cc1OC ZINC000014970795 563016555 /nfs/dbraw/zinc/01/65/55/563016555.db2.gz SXQXRCCLBIMWNG-UHFFFAOYSA-N 0 0 443.503 5.410 1 0 IKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1cc2ccccc2s1 ZINC000014970172 563016556 /nfs/dbraw/zinc/01/65/56/563016556.db2.gz JDLFGDLBJAKKML-XCRWMPKNSA-N 0 0 444.575 6.706 1 0 IKAFRN CC(=O)N(C)c1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)ncn2)s1 ZINC000014974135 563016689 /nfs/dbraw/zinc/01/66/89/563016689.db2.gz CEQNPTOENYXLKX-UHFFFAOYSA-N 0 0 444.438 5.547 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@@H](c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000014973739 563016692 /nfs/dbraw/zinc/01/66/92/563016692.db2.gz LPUQNQGJQQQXDT-JOCHJYFZSA-N 0 0 427.470 6.697 1 0 IKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)NN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000014975698 563016903 /nfs/dbraw/zinc/01/69/03/563016903.db2.gz DYPCUHGWIDYYDK-UHFFFAOYSA-N 0 0 446.382 5.026 1 0 IKAFRN CCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2cc3cc(OC(F)(F)F)ccc3[nH]2)C1 ZINC000014976962 563017083 /nfs/dbraw/zinc/01/70/83/563017083.db2.gz OPDMNQXBFDZQTH-OAHLLOKOSA-N 0 0 442.441 5.066 1 0 IKAFRN CC(C)(C)OC(=O)Nc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1 ZINC000014979846 563017406 /nfs/dbraw/zinc/01/74/06/563017406.db2.gz ZWKZJZYJZGLUQV-UHFFFAOYSA-N 0 0 449.551 6.460 1 0 IKAFRN CC(C)(C)OC(=O)Nc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1 ZINC000014979843 563017416 /nfs/dbraw/zinc/01/74/16/563017416.db2.gz ANJQCZVXKMNXIE-UHFFFAOYSA-N 0 0 449.551 6.460 1 0 IKAFRN CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]2CC=C3CO[C@@H](O)[C@@H]3[C@@]12C ZINC000015194732 563017664 /nfs/dbraw/zinc/01/76/64/563017664.db2.gz IDZDIJBVDDHIIM-MWZFGUNWSA-N 0 0 430.629 5.488 1 0 in-vitro IKAFRN COc1ccc(C(=O)[C@H]2C(=O)O[C@](C)(CC/C=C(\C)Cc3cc(C)co3)[C@@H]2C)c(O)c1 ZINC000015219192 563017721 /nfs/dbraw/zinc/01/77/21/563017721.db2.gz LHLJDPNWUZLDDY-YFWWFAMISA-N 0 0 426.509 5.022 1 0 IKAFRN COc1c(O)cc2c(c1CC=C(C)C)OC(=O)c1c(O)c(CC=C(C)C)c(O)cc1O2 ZINC000015252127 563017807 /nfs/dbraw/zinc/01/78/07/563017807.db2.gz JPVHNMSADPDREY-UHFFFAOYSA-N 0 0 426.465 5.154 1 0 IKAFRN O=C(OCc1ccc(O)cc1)c1c2cc(N3CCOCC3)ccc2oc1-c1ccsc1 ZINC000015935775 563018710 /nfs/dbraw/zinc/01/87/10/563018710.db2.gz SIFGTKFRGUBPMJ-UHFFFAOYSA-N 0 0 435.501 5.061 3 0 IKAFRN CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3cccc(Nc4ccccn4)c3c2)cc1 ZINC000016052735 563020941 /nfs/dbraw/zinc/02/09/41/563020941.db2.gz GJTCKUKIFXWJKG-UHFFFAOYSA-N 0 0 432.549 5.117 1 0 in-vivo IKAFRN CC(C)C(=O)C[C@H](c1ccc(Cl)cc1)N1N=C(C(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC000016958229 563021275 /nfs/dbraw/zinc/02/12/75/563021275.db2.gz NBOLRIBMMHCLND-DHIUTWEWSA-N 0 0 431.407 7.109 1 0 IKAFRN Br[C@@]12c3ccccc3[C@]1(Br)c1ccccc1Sc1ccccc12 ZINC000017194260 563021546 /nfs/dbraw/zinc/02/15/46/563021546.db2.gz SVXQIOYAEZQALQ-BGYRXZFFSA-N 0 0 444.191 6.442 1 0 IKAFRN CN1[C@H](OCc2ccccc2)c2c3c(ccc2[C@@H]2C=Cc4cc5c(cc4[C@@H]21)OCO5)OCO3 ZINC000017213482 563021739 /nfs/dbraw/zinc/02/17/39/563021739.db2.gz XEXURBFGMDEJQC-DNKZPPIMSA-N 0 0 441.483 5.157 1 0 IKAFRN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2N=CN2N=C(c4cccs4)N[C@H]32)cc1 ZINC000017252039 563021812 /nfs/dbraw/zinc/02/18/12/563021812.db2.gz GNLUCKCNLMLWJS-DEOSSOPVSA-N 0 0 443.963 6.107 1 0 IKAFRN CCCC[C@@H]1c2c3ccccc3[nH]c2[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@H]1CCC ZINC000017248625 563021836 /nfs/dbraw/zinc/02/18/36/563021836.db2.gz PMONBFSPMKSPTJ-LDTXMFMOSA-N 0 0 444.575 6.153 1 0 IKAFRN O[C@@H](c1ccc(Cl)cc1Cl)[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000026008434 563028365 /nfs/dbraw/zinc/02/83/65/563028365.db2.gz HBWJVZZCQWFPPG-ROUUACIJSA-N 0 0 432.134 5.118 1 0 IKAFRN COc1ccc(CNc2cc3c(cn2)ncnc3Nc2cccc(Br)c2)cc1 ZINC000021289197 563025333 /nfs/dbraw/zinc/02/53/33/563025333.db2.gz CXLKPXBPOPTFNY-UHFFFAOYSA-N 0 0 436.313 5.152 1 0 IKAFRN c1ccc(C(OCCN2CCN(Cc3cnc4ccccc4c3)CC2)c2ccccc2)cc1 ZINC000022938649 563026563 /nfs/dbraw/zinc/02/65/63/563026563.db2.gz WOASQHJMSWRIGZ-UHFFFAOYSA-N 0 0 437.587 5.159 1 0 IKAFRN c1c2ccccc2oc1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022938622 563026577 /nfs/dbraw/zinc/02/65/77/563026577.db2.gz QRIUZGTYJLIFNE-UHFFFAOYSA-N 0 0 426.560 5.357 1 0 IKAFRN Cc1ccc2c(c1)N(C(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)C(C)(C)C[C@@H]2C ZINC000022941339 563026998 /nfs/dbraw/zinc/02/69/98/563026998.db2.gz JIQPCUQFYHDNJZ-FQEVSTJZSA-N 0 0 440.031 5.085 1 0 IKAFRN O=C(Nc1ccc(F)c(Cl)c1)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000025395975 563027419 /nfs/dbraw/zinc/02/74/19/563027419.db2.gz UZRQTWCWUZKFHR-UHFFFAOYSA-N 0 0 445.925 5.838 1 0 IKAFRN CC[C@@H](c1ccc(O)c(Br)c1)[C@@H](CC)c1ccc(O)c(Br)c1 ZINC000025965068 563027669 /nfs/dbraw/zinc/02/76/69/563027669.db2.gz NXTVRZYDIKGZQK-KBPBESRZSA-N 0 0 428.164 6.310 1 0 IKAFRN CCOC(=O)c1ccc(NC(=O)Nc2cc3c(cc2C)SC(C)(C)CC3(C)C)cc1 ZINC000025965721 563027711 /nfs/dbraw/zinc/02/77/11/563027711.db2.gz WOFLEGFZRDCSOE-UHFFFAOYSA-N 0 0 426.582 6.368 1 0 IKAFRN Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccc(O)cc4)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025972648 563027775 /nfs/dbraw/zinc/02/77/75/563027775.db2.gz JCJHADVFGNFEMA-UHFFFAOYSA-N 0 0 432.470 5.590 1 0 IKAFRN Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccc(O)cc4O)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025975521 563027864 /nfs/dbraw/zinc/02/78/64/563027864.db2.gz HXINQQSEPMANNI-UHFFFAOYSA-N 0 0 448.469 5.295 1 0 IKAFRN COc1ccc([C@@H](c2ccc(C(C)C)cc(=O)c2O)n2c3ccccc3oc2=S)cc1 ZINC000025979141 563027947 /nfs/dbraw/zinc/02/79/47/563027947.db2.gz JHMPHANODJQXSR-QHCPKHFHSA-N 0 0 433.529 5.799 1 0 IKAFRN CCCCC[C@@H](O[C@H]1CCCCO1)c1cccc(OCc2cccc(C(=O)OC)c2)c1 ZINC000025985079 563028077 /nfs/dbraw/zinc/02/80/77/563028077.db2.gz LZMGDMPAIGSAHU-RPBOFIJWSA-N 0 0 426.553 6.217 1 0 IKAFRN CCCCC[C@H](O[C@H]1CCCCO1)c1cccc(OCc2cccc(C(=O)OC)c2)c1 ZINC000025985090 563028080 /nfs/dbraw/zinc/02/80/80/563028080.db2.gz LZMGDMPAIGSAHU-DQEYMECFSA-N 0 0 426.553 6.217 1 0 IKAFRN CC(C)SCC[C@@H](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 ZINC000026005536 563028320 /nfs/dbraw/zinc/02/83/20/563028320.db2.gz PYAWAWCFGDSSGC-SSLFBWNASA-N 0 0 446.785 8.264 1 0 IKAFRN CCN(c1nc(C)cc(-c2ccccc2)n1)c1c(Br)cc(OC)cc1OC ZINC000026007743 563028371 /nfs/dbraw/zinc/02/83/71/563028371.db2.gz PHESBIXKHUQQDU-UHFFFAOYSA-N 0 0 428.330 5.390 1 0 IKAFRN CC1(C)COP(=O)(C(CCC(=O)c2ccoc2)P2(=O)OCC(C)(C)CO2)OC1 ZINC000026028039 563028847 /nfs/dbraw/zinc/02/88/47/563028847.db2.gz SSJHFPCKYFABMY-UHFFFAOYSA-N 0 0 434.362 5.101 1 0 IKAFRN C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000026174412 563029420 /nfs/dbraw/zinc/02/94/20/563029420.db2.gz IGWBBRUWSVXGQG-YATCGRJWSA-N 0 0 445.691 9.028 1 0 IKAFRN Clc1ccc2c(c1)nccc2N[C@H]1CCCC[C@@H]1Nc1ccnc2cc(Cl)ccc21 ZINC000026252428 563030038 /nfs/dbraw/zinc/03/00/38/563030038.db2.gz LISWOCWHIAZFSB-VXKWHMMOSA-N 0 0 437.374 6.925 1 0 IKAFRN CCCc1c(O)c(C(C)=O)ccc1OCc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000026283204 563030725 /nfs/dbraw/zinc/03/07/25/563030725.db2.gz HMKCFUGSHJPFCR-YBFXNURJSA-N 0 0 427.547 5.455 1 0 IKAFRN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCO)CC1 ZINC000026282659 563030732 /nfs/dbraw/zinc/03/07/32/563030732.db2.gz WSVBYUINVGIAJJ-ZWKOTPCHSA-N 0 0 429.601 5.251 1 0 IKAFRN Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000026291359 563030896 /nfs/dbraw/zinc/03/08/96/563030896.db2.gz DXIYOJXEZFJRRA-UHFFFAOYSA-N 0 0 448.510 5.592 1 0 IKAFRN CC[C@@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1Cn1ccnc1)c1ccccc1 ZINC000026288921 563030924 /nfs/dbraw/zinc/03/09/24/563030924.db2.gz KJZOIEGZNOPHDK-RUZDIDTESA-N 0 0 446.554 6.028 1 0 IKAFRN CCOC(=O)C1=C(C)NC(CSc2ccccc2)=C(C(=O)OCC)[C@@H]1c1cccnc1 ZINC000026376315 563031094 /nfs/dbraw/zinc/03/10/94/563031094.db2.gz ILMOCIQSQMQFIH-PZJQAWQVSA-N 0 0 438.549 5.055 1 0 IKAFRN CCCc1noc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)n1 ZINC000026385471 563031551 /nfs/dbraw/zinc/03/15/51/563031551.db2.gz UNYYXCYPNOPUPX-UHFFFAOYSA-N 0 0 438.318 5.533 1 0 IKAFRN COc1cc(CC2(c3ccc4ccccc4c3)SCCCS2)cc(OC)c1OC ZINC000026393683 563031740 /nfs/dbraw/zinc/03/17/40/563031740.db2.gz JYQXGTDFJQGFPO-UHFFFAOYSA-N 0 0 426.603 6.131 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3nnnn3C)c2)C2CCCCCC2)c(C)c1 ZINC000026473785 563032113 /nfs/dbraw/zinc/03/21/13/563032113.db2.gz CYXTYMNYMPKSRD-UHFFFAOYSA-N 0 0 446.599 5.559 1 0 IKAFRN N=C(Nc1ccccc1I)Nc1ccccc1C=Cc1ccccc1 ZINC000026478676 563032217 /nfs/dbraw/zinc/03/22/17/563032217.db2.gz UWASDHOKGCWWPG-CCEZHUSRSA-N 0 0 439.300 5.920 1 0 IKAFRN COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)c2c1OC1(CCCC1)C2 ZINC000026567351 563033153 /nfs/dbraw/zinc/03/31/53/563033153.db2.gz KWSQCXSDPNEXCF-UNMCSNQZSA-N 0 0 448.607 5.794 1 0 IKAFRN COC(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc21 ZINC000026570941 563033341 /nfs/dbraw/zinc/03/33/41/563033341.db2.gz BOLRTTJZBPFWAF-IBGZPJMESA-N 0 0 429.495 6.006 1 0 IKAFRN COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@H]23)c2c1OC1(CCCC1)C2 ZINC000026572376 563033354 /nfs/dbraw/zinc/03/33/54/563033354.db2.gz WGWKCNVFLGOBOV-UNMCSNQZSA-N 0 0 444.575 5.496 1 0 IKAFRN COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@@H]23)c2c1OC1(CCCC1)C2 ZINC000026572379 563033468 /nfs/dbraw/zinc/03/34/68/563033468.db2.gz WGWKCNVFLGOBOV-IFMALSPDSA-N 0 0 444.575 5.496 1 0 IKAFRN CCCC/C=C/C/C=C/CCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000026575933 563033633 /nfs/dbraw/zinc/03/36/33/563033633.db2.gz GSZNUUWNAYNWNM-AVQMFFATSA-N 0 0 429.645 7.221 1 0 IKAFRN COC(=O)C=Cc1ccc(-c2nc(-c3ccc(N)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1 ZINC000026576868 563033813 /nfs/dbraw/zinc/03/38/13/563033813.db2.gz LHWWVRWPIQQTJL-UBKPWBPPSA-N 0 0 438.531 5.245 1 0 IKAFRN CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(C(C)(C)C)cc1 ZINC000026577745 563033929 /nfs/dbraw/zinc/03/39/29/563033929.db2.gz UJCSJIHLGNTPED-UHFFFAOYSA-N 0 0 429.486 5.486 1 0 IKAFRN C=C1N=C(c2ccccc2)C(C(=O)OCC)[C@@H](/C=C/c2ccc(N)cc2)C1C(=O)OCC ZINC000026577925 563033956 /nfs/dbraw/zinc/03/39/56/563033956.db2.gz FFUDKHMUBGWKAN-JDXOBLMBSA-N 0 0 432.520 5.153 1 0 IKAFRN CN(C)C(=O)Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026578228 563034021 /nfs/dbraw/zinc/03/40/21/563034021.db2.gz MUBQOAHMLCMRBN-UHFFFAOYSA-N 0 0 443.161 5.784 1 0 IKAFRN CONC(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026579527 563034100 /nfs/dbraw/zinc/03/41/00/563034100.db2.gz LANGMCAKWHZIPW-UHFFFAOYSA-N 0 0 444.240 5.085 1 0 IKAFRN FC(F)(F)c1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 ZINC000026644270 563034491 /nfs/dbraw/zinc/03/44/91/563034491.db2.gz NBHPUKZRPYQEGR-HXUWFJFHSA-N 0 0 436.264 6.842 1 0 IKAFRN CC(C)n1cnc2c1nc(NCc1ccco1)nc2NCc1ccc(-c2ccccc2)cc1 ZINC000026647789 563034583 /nfs/dbraw/zinc/03/45/83/563034583.db2.gz GNKUVYDEXQSCAT-UHFFFAOYSA-N 0 0 438.535 5.891 1 0 IKAFRN COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(Cc3ccccc3)nc21 ZINC000026652330 563034717 /nfs/dbraw/zinc/03/47/17/563034717.db2.gz JWNVKTDNDORZTE-UHFFFAOYSA-N 0 0 427.291 5.116 1 0 IKAFRN CC(C)C(C(C)C)N(Cc1c[nH]cn1)S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000026655549 563034774 /nfs/dbraw/zinc/03/47/74/563034774.db2.gz IFKRSYJLBQQNGT-UHFFFAOYSA-N 0 0 429.561 5.087 1 0 IKAFRN CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1[C@H]3Cc1ccccc1 ZINC000026654819 563034785 /nfs/dbraw/zinc/03/47/85/563034785.db2.gz FUINROAWUNBDCR-OAQYLSRUSA-N 0 0 430.389 7.412 1 0 IKAFRN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)N(C)C)CC1 ZINC000026666959 563035150 /nfs/dbraw/zinc/03/51/50/563035150.db2.gz ZRJKLVGIKAJOHF-MOPGFXCFSA-N 0 0 442.644 5.431 1 0 IKAFRN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)N(C)C)CC1 ZINC000026666954 563035165 /nfs/dbraw/zinc/03/51/65/563035165.db2.gz ZRJKLVGIKAJOHF-RBUKOAKNSA-N 0 0 442.644 5.431 1 0 IKAFRN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)OCC)CC1 ZINC000026669284 563035281 /nfs/dbraw/zinc/03/52/81/563035281.db2.gz ZRGSKQJNTCUTDI-MOPGFXCFSA-N 0 0 443.628 5.906 1 0 IKAFRN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)OCC)CC1 ZINC000026669289 563035286 /nfs/dbraw/zinc/03/52/86/563035286.db2.gz ZRGSKQJNTCUTDI-OALUTQOASA-N 0 0 443.628 5.906 1 0 IKAFRN CCCCOP(=O)(C[C@@H](CCc1ccccc1)OC(=O)c1ccccc1)OCCCC ZINC000026673653 563035460 /nfs/dbraw/zinc/03/54/60/563035460.db2.gz WYCTXPFZIHLFSG-XMMPIXPASA-N 0 0 446.524 6.671 1 0 IKAFRN O=C(NCCc1ccccc1)[C@]1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 ZINC000026673638 563035467 /nfs/dbraw/zinc/03/54/67/563035467.db2.gz IDVYVVGIQIVDOX-YTTGMZPUSA-N 0 0 445.606 6.063 1 0 IKAFRN COC(=O)[C@H]1CCC[C@H](Nc2n[nH]c3cccc(OCc4ccc(Cl)c(Cl)c4)c32)C1 ZINC000026718785 563035488 /nfs/dbraw/zinc/03/54/88/563035488.db2.gz PLSWPGCYLNQKDB-GJZGRUSLSA-N 0 0 448.350 5.592 1 0 IKAFRN CCCCOP(=O)(C[C@@H](CCc1ccccc1)OC(=O)C(F)(F)F)OCCCC ZINC000026719895 563035554 /nfs/dbraw/zinc/03/55/54/563035554.db2.gz BIDNQFURLMLIIC-GOSISDBHSA-N 0 0 438.423 5.920 1 0 IKAFRN CCCCOP(=O)(C[C@H](CCc1ccccc1)OC(=O)C(C)(C)C)OCCCC ZINC000026718998 563035565 /nfs/dbraw/zinc/03/55/65/563035565.db2.gz OPSMUVNIOLOFGG-NRFANRHFSA-N 0 0 426.534 6.404 1 0 IKAFRN O=c1c2c(nc(-c3ccccc3)n2Cc2ccccc2)c2cccnc2n1-c1ccccc1 ZINC000026720337 563035601 /nfs/dbraw/zinc/03/56/01/563035601.db2.gz UEHDIQFLBOCPIV-UHFFFAOYSA-N 0 0 428.495 5.451 1 0 IKAFRN CN1CC[C@@](O)(c2ccc(Cl)cc2Cl)[C@@H](C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000027191190 563040372 /nfs/dbraw/zinc/04/03/72/563040372.db2.gz FEIRROBBFMUCJM-DNVCBOLYSA-N 0 0 433.162 5.322 1 0 IKAFRN CC(C)(C)OC(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccccc21 ZINC000026731906 563035901 /nfs/dbraw/zinc/03/59/01/563035901.db2.gz QGSFFCHJZNUZRY-HSZRJFAPSA-N 0 0 445.544 5.646 1 0 IKAFRN CCOC(=O)CCc1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1 ZINC000026733216 563036058 /nfs/dbraw/zinc/03/60/58/563036058.db2.gz LVGBSIUZTOULRD-UHFFFAOYSA-N 0 0 432.538 5.120 1 0 IKAFRN CCCSCCCC[C@]1(Cc2ccncc2)c2ccccc2N(c2ccccc2)C1=O ZINC000026742255 563036271 /nfs/dbraw/zinc/03/62/71/563036271.db2.gz HJJRPSKLHPELJD-MHZLTWQESA-N 0 0 430.617 6.554 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2cc(Sc3ccccc3)sc2-c2ccc(F)cc2)cc1 ZINC000026743391 563036325 /nfs/dbraw/zinc/03/63/25/563036325.db2.gz XCUSBYLPBHDVGN-UHFFFAOYSA-N 0 0 440.586 6.776 1 0 IKAFRN O=C(Nc1ccc(C(=O)N2CC[C@]3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1 ZINC000026747611 563036427 /nfs/dbraw/zinc/03/64/27/563036427.db2.gz NNNAQZQJKTVKLR-GDLZYMKVSA-N 0 0 436.555 6.258 1 0 IKAFRN CC[C@H](C)[C@@H](/C=C/c1ccccc1C)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccccc1 ZINC000026751114 563036593 /nfs/dbraw/zinc/03/65/93/563036593.db2.gz ZEJYFULALITIGM-QQEUNJLSSA-N 0 0 432.608 5.277 1 0 IKAFRN CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC(Cc1ccccc1)(Cc1ccccc1)O2 ZINC000026836007 563037376 /nfs/dbraw/zinc/03/73/76/563037376.db2.gz FTYYZMAJOAMQFO-UHFFFAOYSA-N 0 0 428.616 7.146 1 0 IKAFRN CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)Cc1cccc(Cl)c1 ZINC000026985062 563038637 /nfs/dbraw/zinc/03/86/37/563038637.db2.gz VQTOIKFNTAKXCR-UHFFFAOYSA-N 0 0 447.000 5.159 1 0 IKAFRN CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)Cc1ccccc1Cl ZINC000026988910 563038697 /nfs/dbraw/zinc/03/86/97/563038697.db2.gz PJYLRRSJBZGONV-UHFFFAOYSA-N 0 0 447.000 5.159 1 0 IKAFRN CCN1[C@H](c2ccc(-c3cc(S(=O)(=O)CC)ccc3OC)[nH]2)CC[C@H]1c1ccccc1 ZINC000026991312 563038801 /nfs/dbraw/zinc/03/88/01/563038801.db2.gz OVLGSRKGTAEWQF-ZEQRLZLVSA-N 0 0 438.593 5.382 1 0 IKAFRN CN1c2ccc(Cl)cc2C(c2ccc(O)cc2)=N[C@H](Cc2cc3ccccc3cn2)C1=O ZINC000026995029 563038926 /nfs/dbraw/zinc/03/89/26/563038926.db2.gz RRPVKASMRNRRPE-HSZRJFAPSA-N 0 0 441.918 5.019 1 0 IKAFRN C[C@H]1C(=O)c2c(O)c3cc(Cl)ccc3nc2C[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027100687 563039668 /nfs/dbraw/zinc/03/96/68/563039668.db2.gz GLVDIYUPUBKYMC-BXKDBHETSA-N 0 0 440.248 6.012 1 0 IKAFRN COc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)C2(c2ccccc2)c2ccccc2)cc1 ZINC000027184844 563040172 /nfs/dbraw/zinc/04/01/72/563040172.db2.gz QZVFRVNKIQTIPR-HHHXNRCGSA-N 0 0 435.523 5.778 1 0 IKAFRN COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc([S@](C)=O)cc2)cc1 ZINC000027186733 563040180 /nfs/dbraw/zinc/04/01/80/563040180.db2.gz LHIKOZQUOFCCMM-XQOXSZQVSA-N 0 0 433.573 5.160 1 0 IKAFRN CCCN(CC1CC1)c1cc(SC)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn21 ZINC000027197901 563040491 /nfs/dbraw/zinc/04/04/91/563040491.db2.gz AWWQTWFZYCICFJ-UHFFFAOYSA-N 0 0 435.424 6.360 1 0 IKAFRN COc1ccc([C@@H]2[C@H](CCCCCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000027196106 563040538 /nfs/dbraw/zinc/04/05/38/563040538.db2.gz TZVBGGYQWDRSJS-WUFINQPMSA-N 0 0 443.587 6.601 1 0 IKAFRN CCCCOc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000027203464 563040689 /nfs/dbraw/zinc/04/06/89/563040689.db2.gz PLZRCCADDGBGNM-VSGBNLITSA-N 0 0 443.587 6.601 1 0 IKAFRN COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC(C)(C)C)cc2)cc1 ZINC000027204545 563040699 /nfs/dbraw/zinc/04/06/99/563040699.db2.gz DMTMNHQDKFBTNO-KAYWLYCHSA-N 0 0 443.587 6.600 1 0 IKAFRN COc1ccc([C@@H]2[C@@H](CCCCCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000027203452 563040708 /nfs/dbraw/zinc/04/07/08/563040708.db2.gz TZVBGGYQWDRSJS-VSGBNLITSA-N 0 0 443.587 6.601 1 0 IKAFRN O=C(OC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)c1ccc(Cl)cc1 ZINC000027207804 563040890 /nfs/dbraw/zinc/04/08/90/563040890.db2.gz OUQNMRYSBSWBLQ-UHFFFAOYSA-N 0 0 428.319 5.276 1 0 IKAFRN CC(=O)c1ccc(CCCCCCCCSc2ncc(Cc3cccnc3)c(=O)[nH]2)cc1 ZINC000027310518 563041402 /nfs/dbraw/zinc/04/14/02/563041402.db2.gz UPXUDTKIDYSHEW-UHFFFAOYSA-N 0 0 449.620 5.634 1 0 IKAFRN CCOC1=C[C@@]2(C)[C@H](C[C@@H](O)[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]23)C(C)(C)C1=O ZINC000027407661 563041850 /nfs/dbraw/zinc/04/18/50/563041850.db2.gz BZOHFZWRZLRHFA-PLAMEQCUSA-N 0 0 438.608 6.032 1 0 IKAFRN Clc1ccc([C@@H](c2c[nH]cc2-c2ccc(Cl)c(Cl)c2)n2ccnc2)c(Cl)c1 ZINC000027421585 563042068 /nfs/dbraw/zinc/04/20/68/563042068.db2.gz VOZKRUYNVQHSHL-FQEVSTJZSA-N 0 0 437.157 7.130 1 0 IKAFRN Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)c(Cl)c1 ZINC000027423803 563042120 /nfs/dbraw/zinc/04/21/20/563042120.db2.gz BHLRUOGOYQUJHE-HXUWFJFHSA-N 0 0 437.157 7.130 1 0 IKAFRN CC(C)C[C@@]1(O)O[C@H]2C[C@@]3(C)[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4(C)CC[C@]3(C)[C@@]2(O)[C@@H]1C ZINC000027422930 563042147 /nfs/dbraw/zinc/04/21/47/563042147.db2.gz XBBYWUNYPOQBFX-JQRXFXOJSA-N 0 0 446.672 5.201 1 0 IKAFRN Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCNC(=O)Nc1ccccc1 ZINC000027424811 563042201 /nfs/dbraw/zinc/04/22/01/563042201.db2.gz YBGWYWJTZLWKSS-UHFFFAOYSA-N 0 0 448.617 6.077 1 0 IKAFRN CCC[C@@]1(CCc2ccccc2)C=c2oc(=O)c([C@@H](CC)c3ccccc3)c(O)c2=CC1 ZINC000027436276 563042330 /nfs/dbraw/zinc/04/23/30/563042330.db2.gz CJXXEMIEEYSUCT-IADCTJSHSA-N 0 0 428.572 5.271 1 0 IKAFRN Clc1ccc2c(c1)nccc2NCCOCCNc1ccnc2cc(Cl)ccc21 ZINC000027435821 563042334 /nfs/dbraw/zinc/04/23/34/563042334.db2.gz QFHWVQIBNPURLV-UHFFFAOYSA-N 0 0 427.335 5.630 1 0 IKAFRN CC(=O)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027520791 563042768 /nfs/dbraw/zinc/04/27/68/563042768.db2.gz AFVWUOFMRKBKAW-MAUKXSAKSA-N 0 0 434.241 5.337 1 0 IKAFRN C=C1N=C(c2ccc(C)cc2)C(C(=O)OCC)[C@@H](/C=C/c2ccccc2)C1C(=O)OCC ZINC000027523367 563042920 /nfs/dbraw/zinc/04/29/20/563042920.db2.gz HXYNKYIBOAOJHS-VXZRQNNNSA-N 0 0 431.532 5.879 1 0 IKAFRN Cc1cc(CCCCCOc2c(Cl)cc(-c3nc(C)c(C)s3)cc2Cl)on1 ZINC000027523308 563042926 /nfs/dbraw/zinc/04/29/26/563042926.db2.gz BLJWTHZIFCIQJU-UHFFFAOYSA-N 0 0 425.381 6.822 1 0 IKAFRN O=C1CC[C@]2(c3ccc4c(c3)CCc3ccccc3-4)O[C@H](COc3ccc(Cl)cc3)CN12 ZINC000027523100 563042927 /nfs/dbraw/zinc/04/29/27/563042927.db2.gz AFGNZWKVFZOLRD-WNCULLNHSA-N 0 0 445.946 5.359 1 0 IKAFRN O=C(NC1CCCCC1)c1cccc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c21 ZINC000027555755 563043742 /nfs/dbraw/zinc/04/37/42/563043742.db2.gz KJHAWZQHMNLVCU-UHFFFAOYSA-N 0 0 442.968 5.357 1 0 IKAFRN C=C/C(=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C)CCC=C(C)C ZINC000027639565 563044976 /nfs/dbraw/zinc/04/49/76/563044976.db2.gz ATMHMBRPCUZUGJ-QSLSALOUSA-N 0 0 438.740 9.982 1 0 IKAFRN CC(C)c1nc(C2CCCCC2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000027650934 563045160 /nfs/dbraw/zinc/04/51/60/563045160.db2.gz TUUVFNSQWXOUDX-DDVDASKDSA-N 0 0 438.543 5.534 1 0 IKAFRN O[C@@H](CCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027722093 563045839 /nfs/dbraw/zinc/04/58/39/563045839.db2.gz XZLWEAUXXFHNAP-SANMLTNESA-N 0 0 436.477 5.530 1 0 IKAFRN O[C@@H](CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccccc1 ZINC000027732446 563046201 /nfs/dbraw/zinc/04/62/01/563046201.db2.gz TVVIIUQNFRQZBO-MHZLTWQESA-N 0 0 432.514 5.781 1 0 IKAFRN CCOP(=O)(OCC)[C@H](CCCCCCCOc1ccc(OC)cc1Cl)C(C)=O ZINC000027750502 563046712 /nfs/dbraw/zinc/04/67/12/563046712.db2.gz JVTHXBYIEUZQRQ-OAQYLSRUSA-N 0 0 448.924 6.292 1 0 IKAFRN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc32)c(Cl)c1 ZINC000027757215 563046854 /nfs/dbraw/zinc/04/68/54/563046854.db2.gz SANDMOXQSHAQIJ-UHFFFAOYSA-N 0 0 442.943 6.084 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)O[C@@H](c1ccccc1)c1ccccn1 ZINC000027762850 563047001 /nfs/dbraw/zinc/04/70/01/563047001.db2.gz HJYXABFFPORLOH-MHZLTWQESA-N 0 0 430.548 5.990 1 0 IKAFRN C[C@@H](CO)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000027852870 563047360 /nfs/dbraw/zinc/04/73/60/563047360.db2.gz IJXLYGXYSBOPIM-YNEHNDDZSA-N 0 0 428.701 7.061 1 0 IKAFRN CC(=O)c1ccc(C2=C(C(C)C)c3cc(C(C)=O)c(C(C)=O)cc3C2(C)C)cc1C(C)=O ZINC000027872210 563047675 /nfs/dbraw/zinc/04/76/75/563047675.db2.gz QILWQENAPQSGHH-UHFFFAOYSA-N 0 0 430.544 6.355 1 0 IKAFRN Clc1ccc2c(c1Cl)CN(CCN1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027876269 563047775 /nfs/dbraw/zinc/04/77/75/563047775.db2.gz VFZLGMHUYYLKHL-UHFFFAOYSA-N 0 0 430.206 5.717 1 0 IKAFRN Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000027882886 563047844 /nfs/dbraw/zinc/04/78/44/563047844.db2.gz KSXRPAWPLZPQDV-UHFFFAOYSA-N 0 0 432.976 5.926 1 0 IKAFRN COc1ccc([C@@H]2SCc3c(sc(N)c3C(=O)c3cccc4ccccc43)S2)cc1 ZINC000027881211 563047860 /nfs/dbraw/zinc/04/78/60/563047860.db2.gz NZLXLHJQGKUDBB-HSZRJFAPSA-N 0 0 449.622 6.761 1 0 IKAFRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(Cl)[S@@](=O)Cc1ccccc1 ZINC000027886245 563047967 /nfs/dbraw/zinc/04/79/67/563047967.db2.gz FFJAYSJIZTUQMU-GPCAEOOFSA-N 0 0 443.052 6.178 1 0 IKAFRN COc1cc2nccc(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)c(F)c3)c2cc1OC ZINC000027982142 563048564 /nfs/dbraw/zinc/04/85/64/563048564.db2.gz IKMYMZQUFKFVBF-UHFFFAOYSA-N 0 0 446.522 7.225 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@@H]1CC(=O)N[C@@]2(C)C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000027995396 563049056 /nfs/dbraw/zinc/04/90/56/563049056.db2.gz OMWDKTDFTFCYDM-WPNHDGRZSA-N 0 0 429.689 6.257 1 0 IKAFRN COc1ccc(-c2csc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccs3)n2)cc1 ZINC000028061411 563050108 /nfs/dbraw/zinc/05/01/08/563050108.db2.gz HNFFFHDRLZCPFJ-NRFANRHFSA-N 0 0 435.549 6.375 1 0 IKAFRN COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000028061102 563050162 /nfs/dbraw/zinc/05/01/62/563050162.db2.gz NEAYBEWPLUJOLB-VWLOTQADSA-N 0 0 425.557 6.483 1 0 IKAFRN COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000028062021 563050195 /nfs/dbraw/zinc/05/01/95/563050195.db2.gz BSZCGYIMLQWMNM-DEOSSOPVSA-N 0 0 445.975 6.828 1 0 IKAFRN COc1ccc(-c2csc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3cccs3)n2)cc1 ZINC000028062389 563050208 /nfs/dbraw/zinc/05/02/08/563050208.db2.gz XBOXPAXQGRWLRK-QFIPXVFZSA-N 0 0 447.585 6.245 1 0 IKAFRN CC(=O)c1ccc([C@@H]2[C@@H](CCC(=O)c3ccccc3)C(=O)N2c2ccc(C(C)=O)cc2)cc1 ZINC000028092513 563050389 /nfs/dbraw/zinc/05/03/89/563050389.db2.gz VDDKFJPJINSREW-XNMGPUDCSA-N 0 0 439.511 5.459 1 0 IKAFRN O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)OCc1ccccc1 ZINC000028104513 563050750 /nfs/dbraw/zinc/05/07/50/563050750.db2.gz UDRCVZGXOKQHJG-XMMPIXPASA-N 0 0 436.515 5.768 1 0 IKAFRN COc1cc(/C=C/c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)cc(OC)c1OC ZINC000028115079 563050918 /nfs/dbraw/zinc/05/09/18/563050918.db2.gz MVOBUECJYSZEKC-MDZDMXLPSA-N 0 0 449.528 5.075 1 0 IKAFRN COC(=O)C1=C(C)CC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000028115704 563050928 /nfs/dbraw/zinc/05/09/28/563050928.db2.gz SOAQEOCZZKZZSW-SFHVURJKSA-N 0 0 444.877 5.994 1 0 IKAFRN CCCN1C(=O)c2ccccc2[C@@]1(OCc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 ZINC000028118733 563051034 /nfs/dbraw/zinc/05/10/34/563051034.db2.gz CSKXZPCSBBCYHI-NDEPHWFRSA-N 0 0 448.006 6.921 1 0 IKAFRN FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1Cn1ccnc1 ZINC000028119769 563051035 /nfs/dbraw/zinc/05/10/35/563051035.db2.gz ULMCBPNGBIMNAO-UHFFFAOYSA-N 0 0 427.666 6.111 1 0 IKAFRN O=C(Nc1ncc(Cl)s1)N(CC1CCCC1)c1ccc(Br)c(F)c1 ZINC000028127651 563051289 /nfs/dbraw/zinc/05/12/89/563051289.db2.gz HRGVCRHMRCEHHT-UHFFFAOYSA-N 0 0 432.746 5.927 1 0 IKAFRN CCN(CCO)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1 ZINC000028133688 563051495 /nfs/dbraw/zinc/05/14/95/563051495.db2.gz IZZRMCWLXAQLQJ-UHFFFAOYSA-N 0 0 434.323 5.028 1 0 IKAFRN O=C(Nc1ncc(Cl)s1)N(CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000028135862 563051518 /nfs/dbraw/zinc/05/15/18/563051518.db2.gz CDDQLKTZRYNTIM-UHFFFAOYSA-N 0 0 427.957 6.818 1 0 IKAFRN CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCC[C@@H]3c3ccccc3)[nH]2)c1 ZINC000028237645 563052016 /nfs/dbraw/zinc/05/20/16/563052016.db2.gz SKMONACLVOEHQQ-XMMPIXPASA-N 0 0 438.593 5.211 1 0 IKAFRN Cc1ccc([C@H](c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)n2ccnc2)cc1 ZINC000028234964 563051963 /nfs/dbraw/zinc/05/19/63/563051963.db2.gz ZIQMGLHLIIJUHD-HSZRJFAPSA-N 0 0 436.342 6.388 1 0 IKAFRN CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCC[C@H]3c3ccccc3)[nH]2)c1 ZINC000028237651 563052019 /nfs/dbraw/zinc/05/20/19/563052019.db2.gz SKMONACLVOEHQQ-DEOSSOPVSA-N 0 0 438.593 5.211 1 0 IKAFRN COc1cc(NS(C)(=O)=O)ccc1Nc1c2c(nc3ccccc31)-c1ccccc1[C@@H]2C ZINC000028264807 563052412 /nfs/dbraw/zinc/05/24/12/563052412.db2.gz KTAGYDFYEVETGX-HNNXBMFYSA-N 0 0 445.544 5.491 1 0 IKAFRN FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN1CCCC1 ZINC000028331147 563052419 /nfs/dbraw/zinc/05/24/19/563052419.db2.gz LLALAUQQWPEQEQ-UHFFFAOYSA-N 0 0 430.710 6.462 1 0 IKAFRN CCCCOCCCNc1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc21 ZINC000028334096 563052635 /nfs/dbraw/zinc/05/26/35/563052635.db2.gz NFKRZHSFBUIZGI-UHFFFAOYSA-N 0 0 449.505 5.651 1 0 IKAFRN O=C1c2c(cc(OCc3ccc(-c4nn[nH]n4)cc3)c(Cl)c2Cl)C[C@H]1C1CCCC1 ZINC000028334714 563052650 /nfs/dbraw/zinc/05/26/50/563052650.db2.gz XUGRGRMGJJYIJM-INIZCTEOSA-N 0 0 443.334 5.298 1 0 IKAFRN CCCC[C@H](NC(=O)O[C@@H](C)CC1CCCCC1)C(=O)c1nc(-c2ccccc2)cs1 ZINC000028336245 563052691 /nfs/dbraw/zinc/05/26/91/563052691.db2.gz ZFKNRHGBCDTQQK-RXVVDRJESA-N 0 0 442.625 6.637 1 0 IKAFRN Fc1ccc(-c2nc3ncnc(NC4CCCCCC4)c3nc2-c2ccc(F)cc2)cc1 ZINC000028351528 563053194 /nfs/dbraw/zinc/05/31/94/563053194.db2.gz CVWRSOSLDGBTDM-UHFFFAOYSA-N 0 0 431.490 6.167 1 0 IKAFRN CCOC(=O)CC(=O)Nc1cc(C)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(Cl)c1 ZINC000028350968 563053207 /nfs/dbraw/zinc/05/32/07/563053207.db2.gz MCZLDBVNJQOVHP-UHFFFAOYSA-N 0 0 428.916 5.937 1 0 IKAFRN Cc1cc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 ZINC000028354585 563053311 /nfs/dbraw/zinc/05/33/11/563053311.db2.gz RSMBMIJRBXTECL-UHFFFAOYSA-N 0 0 429.442 5.180 1 0 IKAFRN COc1ccc(NC(=O)COc2ccc(C(=O)Nc3cccc(F)c3)c3ccccc23)cc1 ZINC000028356681 563053363 /nfs/dbraw/zinc/05/33/63/563053363.db2.gz FQAJXIUYEDZJSY-UHFFFAOYSA-N 0 0 444.462 5.257 1 0 IKAFRN CCCCN(CCC)c1cc(C)nc2c(-c3ncc(C(F)(F)F)cc3Cl)c(C)nn21 ZINC000028360855 563053441 /nfs/dbraw/zinc/05/34/41/563053441.db2.gz DSSYQJMKOFDETQ-UHFFFAOYSA-N 0 0 439.913 6.097 1 0 IKAFRN C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1Cl)c1ccc(F)cc1 ZINC000028363253 563053544 /nfs/dbraw/zinc/05/35/44/563053544.db2.gz VMNABOPPDUIRHF-ZDUSSCGKSA-N 0 0 445.922 5.918 1 0 IKAFRN CC(C)CC(=O)c1ccc(OCCCCSc2ccncc2)c(Br)c1O ZINC000028365214 563053605 /nfs/dbraw/zinc/05/36/05/563053605.db2.gz PRKGVNLFLZWPMQ-UHFFFAOYSA-N 0 0 438.387 5.730 1 0 IKAFRN C[C@H](NC(=S)Nc1ccc(-c2cc(Cc3ccccc3)no2)cc1)c1ccc(F)cc1 ZINC000028366220 563053608 /nfs/dbraw/zinc/05/36/08/563053608.db2.gz MTMMPYLXUDVCRB-KRWDZBQOSA-N 0 0 431.536 6.119 1 0 IKAFRN C[C@@H](NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3cn2)cc1)c1ccc(F)cc1 ZINC000028367838 563053674 /nfs/dbraw/zinc/05/36/74/563053674.db2.gz FLQHIROINMXMAY-MRXNPFEDSA-N 0 0 444.535 5.674 1 0 IKAFRN CC(C)(C)Sc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028371324 563053883 /nfs/dbraw/zinc/05/38/83/563053883.db2.gz FEACQHXFELQKNU-UHFFFAOYSA-N 0 0 427.875 6.464 1 0 IKAFRN CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C)cs1 ZINC000028381491 563054047 /nfs/dbraw/zinc/05/40/47/563054047.db2.gz FJVBDFPLYGNYPA-UHFFFAOYSA-N 0 0 438.327 6.539 1 0 IKAFRN CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(F)cc1 ZINC000028389741 563054390 /nfs/dbraw/zinc/05/43/90/563054390.db2.gz DDSULWHSYUPHBK-UHFFFAOYSA-N 0 0 436.261 6.308 1 0 IKAFRN O=C(Nc1ccc2nc(NCC3CCCCC3)sc2c1)c1c(Cl)cccc1Cl ZINC000028457613 563054766 /nfs/dbraw/zinc/05/47/66/563054766.db2.gz XZGAHCRQWWXFLH-UHFFFAOYSA-N 0 0 434.392 6.848 1 0 IKAFRN C[C@@](CO)(CCCCCC(=O)CCCCC[C@@](C)(CO)c1ccccc1)c1ccccc1 ZINC000028457838 563054775 /nfs/dbraw/zinc/05/47/75/563054775.db2.gz RONGASBWZLDFPU-VMPREFPWSA-N 0 0 438.652 6.357 1 0 IKAFRN CC(C)COC(=O)N=c1[nH]c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2s1 ZINC000028457338 563054789 /nfs/dbraw/zinc/05/47/89/563054789.db2.gz APAYCOJTYKBSOR-UHFFFAOYSA-N 0 0 438.336 6.060 1 0 IKAFRN Cc1ccc([C@@](C)(CO)CCCCC(=O)CCCC[C@](C)(CO)c2ccc(C)cc2)cc1 ZINC000028458064 563054887 /nfs/dbraw/zinc/05/48/87/563054887.db2.gz YUQSKIKOWNWRQV-FQLXRVMXSA-N 0 0 438.652 6.194 1 0 IKAFRN CCCc1c2ccn(CC(C)(C)C)c2ccc1OCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000028458845 563054925 /nfs/dbraw/zinc/05/49/25/563054925.db2.gz QKMJZJZVEZUPEA-UHFFFAOYSA-N 0 0 433.556 5.278 1 0 IKAFRN CCCN(CC1CC1)C(=O)c1c(C)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028459381 563054985 /nfs/dbraw/zinc/05/49/85/563054985.db2.gz LEFBXJJDOJQUSV-UHFFFAOYSA-N 0 0 428.580 5.774 1 0 IKAFRN CC(C)(C)OC(=O)N=c1[nH]c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2s1 ZINC000028463732 563055173 /nfs/dbraw/zinc/05/51/73/563055173.db2.gz TVVMFVQKFSEYJF-UHFFFAOYSA-N 0 0 438.336 6.202 1 0 IKAFRN COc1c([C@@H](O)CC(C)C)ccc2c1C(=O)Oc1cc(C)cc(OCCC(C)C)c1O2 ZINC000028468338 563055383 /nfs/dbraw/zinc/05/53/83/563055383.db2.gz AFUNYIIIXDWWSE-SFHVURJKSA-N 0 0 428.525 5.833 1 0 IKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3cccc(C)c3)cc2)C(=O)NC(C)C)c1 ZINC000028470392 563055440 /nfs/dbraw/zinc/05/54/40/563055440.db2.gz PVVKZFHISJARAP-DTQAZKPQSA-N 0 0 442.559 5.973 1 0 IKAFRN CCOC(=O)Cc1c(C[C@@H](C)CCC=C(C)C)c(C(=O)OCC)cn1Cc1ccccc1 ZINC000028471886 563055576 /nfs/dbraw/zinc/05/55/76/563055576.db2.gz BVOCYOCRBDFSLA-NRFANRHFSA-N 0 0 439.596 5.744 1 0 IKAFRN CCCCCc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(O)c2)cc1 ZINC000028476144 563055713 /nfs/dbraw/zinc/05/57/13/563055713.db2.gz NKPKMLMRAUJVEM-AREMUKBSSA-N 0 0 442.559 5.331 1 0 IKAFRN CSc1ccc(-c2cc(-c3ccncc3)nc(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000028476879 563055728 /nfs/dbraw/zinc/05/57/28/563055728.db2.gz FXHOCUVJBNJOTG-UHFFFAOYSA-N 0 0 439.588 5.254 1 0 IKAFRN C[C@H](CCCCN1CCN(c2ccncc2)C1=O)Oc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000028478257 563055808 /nfs/dbraw/zinc/05/58/08/563055808.db2.gz SFQIZOIUPPVGIA-HXUWFJFHSA-N 0 0 449.982 6.282 1 0 IKAFRN C[C@@H](CCCCN1CCN(c2ccncc2)C1=O)Oc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000028478253 563055826 /nfs/dbraw/zinc/05/58/26/563055826.db2.gz SFQIZOIUPPVGIA-FQEVSTJZSA-N 0 0 449.982 6.282 1 0 IKAFRN C[C@H](CCCCOc1ccc(-c2ccc(Cl)cc2)cc1)N1CCN(c2ccncc2)C1=O ZINC000028521225 563055945 /nfs/dbraw/zinc/05/59/45/563055945.db2.gz YOPOMDVDQYQSTC-HXUWFJFHSA-N 0 0 449.982 6.282 1 0 IKAFRN Brc1cnc(Nc2ccc3[nH]cnc3c2)nc1N[C@@H]1CCCc2ccccc21 ZINC000028522944 563056187 /nfs/dbraw/zinc/05/61/87/563056187.db2.gz JONSRNZJYAZYTE-QGZVFWFLSA-N 0 0 435.329 5.349 1 0 IKAFRN C[C@]1(C(=O)N2[C@@H]3CCCC[C@@H]3[C@@H]3CCCC[C@@H]32)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 ZINC000028524405 563056429 /nfs/dbraw/zinc/05/64/29/563056429.db2.gz QBUILYGRQMFSAV-NBZQJZNQSA-N 0 0 435.652 6.362 1 0 IKAFRN CC(C)(C)CC(=O)Nc1ccc2c(cc(C(=O)Nc3ccccc3)n2CC2CCCCC2)c1 ZINC000028524719 563056549 /nfs/dbraw/zinc/05/65/49/563056549.db2.gz IDVHPSBHJXIQLO-UHFFFAOYSA-N 0 0 445.607 6.849 1 0 IKAFRN COc1cc(OC)c2c(=O)cc(-c3cc(C(F)(F)F)c(OC)c(C(F)(F)F)c3)oc2c1 ZINC000028525632 563056799 /nfs/dbraw/zinc/05/67/99/563056799.db2.gz OQXHCBVLMNGORM-UHFFFAOYSA-N 0 0 448.315 5.523 1 0 IKAFRN C[C@@H](NC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12)C12CC3CC(CC(C3)C1)C2 ZINC000028525861 563056889 /nfs/dbraw/zinc/05/68/89/563056889.db2.gz AEORYXMWRGDQDS-WPDAQTAUSA-N 0 0 435.652 6.124 1 0 IKAFRN Cc1onc2c1c(=O)n([C@H]1CCC[C@H](CNC(=O)c3ccccc3)C1)c1cccc(Cl)c21 ZINC000028530218 563057460 /nfs/dbraw/zinc/05/74/60/563057460.db2.gz UTSANVQWUWLEDP-WMZOPIPTSA-N 0 0 449.938 5.266 1 0 IKAFRN Cc1nc(Cc2c(Cl)cccc2Cl)sc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000028562725 563057630 /nfs/dbraw/zinc/05/76/30/563057630.db2.gz BBBKJXKFSCQNPW-UHFFFAOYSA-N 0 0 445.293 6.620 1 0 IKAFRN O=C(Nc1ccccc1Br)c1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000028562878 563057660 /nfs/dbraw/zinc/05/76/60/563057660.db2.gz ANRPCROBOYQPLA-UHFFFAOYSA-N 0 0 442.165 6.056 1 0 IKAFRN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)Nc1ccc(-c2nc3cccnc3[nH]2)cc1 ZINC000028563737 563057678 /nfs/dbraw/zinc/05/76/78/563057678.db2.gz GMPQFVBVADDFRC-UHFFFAOYSA-N 0 0 445.486 5.812 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(OC)cc1 ZINC000028565183 563057969 /nfs/dbraw/zinc/05/79/69/563057969.db2.gz VIOMOPPOTQCWCZ-ZKWNWVNESA-N 0 0 437.668 7.500 1 0 IKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(CCc2c(Cl)cccc2Cl)n1 ZINC000028565749 563058147 /nfs/dbraw/zinc/05/81/47/563058147.db2.gz JPMPDELMROAZMT-UHFFFAOYSA-N 0 0 445.293 6.506 1 0 IKAFRN O=c1c2nn(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2ncn1C1CCCCC1 ZINC000028568716 563058520 /nfs/dbraw/zinc/05/85/20/563058520.db2.gz BSDMJYSSFPMYNV-UHFFFAOYSA-N 0 0 439.346 6.061 1 0 IKAFRN CCOc1ccc(-n2c(C)c3c(c2C)c(NCc2cccc4cccnc42)nnc3C)cc1 ZINC000028569245 563058723 /nfs/dbraw/zinc/05/87/23/563058723.db2.gz XGBBXFUCHWRFSH-UHFFFAOYSA-N 0 0 437.547 5.905 1 0 IKAFRN C[C@H](OC[C@@]1(c2ccccc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028570788 563059080 /nfs/dbraw/zinc/05/90/80/563059080.db2.gz HGPMXNZOBKZRFR-KPZWWZAWSA-N 0 0 432.364 5.010 1 0 IKAFRN Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4N(C)c4ccccc43)c(Cl)c2)n1 ZINC000028570875 563059107 /nfs/dbraw/zinc/05/91/07/563059107.db2.gz KXFXNMANIRCLQV-UHFFFAOYSA-N 0 0 429.911 5.157 1 0 IKAFRN CCCCO[C@H]1[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H](c2ccccc2)[C@@H]1OCCCC ZINC000028571349 563059292 /nfs/dbraw/zinc/05/92/92/563059292.db2.gz HQOWMCCPRKODPK-UBMUWRQFSA-N 0 0 440.580 5.611 1 0 IKAFRN COc1ccc(NCCNC(=O)[C@H](CC(C)C)Nc2cccc(C3CCCCC3)c2)cc1 ZINC000028571533 563059316 /nfs/dbraw/zinc/05/93/16/563059316.db2.gz DNIJABGHLWRACN-SANMLTNESA-N 0 0 437.628 5.798 1 0 IKAFRN COc1ccc(NCCNC(=O)[C@H](CC(C)C)Nc2cccc(-c3ccccc3)c2)cc1 ZINC000028571832 563059376 /nfs/dbraw/zinc/05/93/76/563059376.db2.gz KTWIGTZIFATKJE-SANMLTNESA-N 0 0 431.580 5.417 1 0 IKAFRN COc1ccc(NCCNC(=O)C2(Nc3ccccc3-c3ccccc3)CCCCC2)cc1 ZINC000028571895 563059392 /nfs/dbraw/zinc/05/93/92/563059392.db2.gz KQJRXBIUCPRIAE-UHFFFAOYSA-N 0 0 443.591 5.705 1 0 IKAFRN COc1ccc(NCCNC(=O)C2(Nc3ccc(-c4ccccc4)cc3)CCCCC2)cc1 ZINC000028571962 563059473 /nfs/dbraw/zinc/05/94/73/563059473.db2.gz WFRCEQPXUKFSEM-UHFFFAOYSA-N 0 0 443.591 5.705 1 0 IKAFRN COc1ccc(NCCNC(=O)[C@@H](CC(C)C)Oc2cccc(Oc3ccccc3)c2)cc1 ZINC000028572112 563059475 /nfs/dbraw/zinc/05/94/75/563059475.db2.gz PIBKOBASSDXJAZ-AREMUKBSSA-N 0 0 448.563 5.509 1 0 IKAFRN COc1ccc(NCCNC(=O)[C@H](CC(C)C)Oc2cccc(Oc3ccccc3)c2)cc1 ZINC000028572113 563059502 /nfs/dbraw/zinc/05/95/02/563059502.db2.gz PIBKOBASSDXJAZ-SANMLTNESA-N 0 0 448.563 5.509 1 0 IKAFRN COc1cc2[nH]cc(CCCCCCCCCCCCCCCCCCO)c2cc1OC ZINC000028637359 563059860 /nfs/dbraw/zinc/05/98/60/563059860.db2.gz HQECPXMDDDGLGQ-UHFFFAOYSA-N 0 0 445.688 7.962 1 0 IKAFRN CC(C)(O)[C@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000028639018 563059976 /nfs/dbraw/zinc/05/99/76/563059976.db2.gz NVNUNRUPWXZKAL-MYCJDACTSA-N 0 0 442.728 7.428 1 0 IKAFRN CC(C)COC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028640730 563060182 /nfs/dbraw/zinc/06/01/82/563060182.db2.gz FTBFMUQYFCSXAZ-UHFFFAOYSA-N 0 0 448.692 6.355 1 0 IKAFRN C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(=CCO)[C@H](O)C3)CCC[C@]21C ZINC000028645569 563060674 /nfs/dbraw/zinc/06/06/74/563060674.db2.gz YNIUCOAOVZEMHY-FHRISVAOSA-N 0 0 446.672 5.067 1 0 IKAFRN CC(C)(C)c1ccc(Nc2ncc(C(=O)NCc3ccccc3)c(C(F)(F)F)n2)cc1 ZINC000028645238 563060704 /nfs/dbraw/zinc/06/07/04/563060704.db2.gz YXAJNYCCMAKGTK-UHFFFAOYSA-N 0 0 428.458 5.467 1 0 IKAFRN C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(=CCF)[C@H](O)C3)CCC[C@]21C ZINC000028645537 563060715 /nfs/dbraw/zinc/06/07/15/563060715.db2.gz NPQPAYRGQQTLEO-KOGDVJBPSA-N 0 0 448.663 6.044 1 0 IKAFRN O=C(NN1CCCCC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 ZINC000028648875 563060998 /nfs/dbraw/zinc/06/09/98/563060998.db2.gz FBMFLCCMSCORDS-UHFFFAOYSA-N 0 0 427.335 5.248 1 0 IKAFRN S=C(N1N=C(c2ccccc2)C[C@H]1c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000028709459 563062509 /nfs/dbraw/zinc/06/25/09/563062509.db2.gz PMZIMAFADAOWRP-MHZLTWQESA-N 0 0 439.628 6.077 1 0 IKAFRN COc1cccc([C@@H]2SC(c3ccc(Cl)cc3)=NN2C(=O)c2ccccc2)c1OC ZINC000028710829 563062678 /nfs/dbraw/zinc/06/26/78/563062678.db2.gz YCTXPNNZXNXVGS-QHCPKHFHSA-N 0 0 438.936 5.607 1 0 IKAFRN O=c1cc(CNc2nc(-c3cc4ccccc4oc3=O)cs2)c2cc(Cl)ccc2[nH]1 ZINC000028712478 563062944 /nfs/dbraw/zinc/06/29/44/563062944.db2.gz HUEUNZNQEFPVNB-UHFFFAOYSA-N 0 0 435.892 5.024 1 0 IKAFRN CCCCc1oc2ccccc2c1Cc1ccc(-c2ccc(OCn3cnnn3)cc2)cc1 ZINC000028756849 563063414 /nfs/dbraw/zinc/06/34/14/563063414.db2.gz WTGCANVNYPAVQJ-UHFFFAOYSA-N 0 0 438.531 6.056 1 0 IKAFRN CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C=C([N+](=O)[O-])C=C[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028758675 563063493 /nfs/dbraw/zinc/06/34/93/563063493.db2.gz CHOUGYKALZAIHM-OLDARXRGSA-N 0 0 428.617 5.837 1 0 IKAFRN FC(F)(F)c1cccc2c1N[C@H](c1c[nH]c3ccc(Br)cc31)[C@@H]1CCO[C@H]21 ZINC000028760310 563063674 /nfs/dbraw/zinc/06/36/74/563063674.db2.gz CGQHYGLBGSIDCL-OYYNGEPBSA-N 0 0 437.259 6.194 1 0 IKAFRN COc1ccc2c(c1)c(Cc1nc(C(C)C)cs1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028762052 563063764 /nfs/dbraw/zinc/06/37/64/563063764.db2.gz AZGMRNJWFYIHKR-UHFFFAOYSA-N 0 0 438.980 6.471 1 0 IKAFRN Clc1cc(Cl)c2c(c1)[C@H]1OCC[C@H]1[C@@H](c1c[nH]c3ccc(Br)cc31)N2 ZINC000028761086 563063822 /nfs/dbraw/zinc/06/38/22/563063822.db2.gz LUFCLZUYOSWFMA-AHYKXKOGSA-N 0 0 438.152 6.482 1 0 IKAFRN Clc1ccc(CC[C@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028766963 563064167 /nfs/dbraw/zinc/06/41/67/563064167.db2.gz YUANOLWCHMZDBJ-RXVVDRJESA-N 0 0 437.754 5.745 1 0 IKAFRN Clc1ccc(CC[C@@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028766961 563064194 /nfs/dbraw/zinc/06/41/94/563064194.db2.gz YUANOLWCHMZDBJ-NQIIRXRSSA-N 0 0 437.754 5.745 1 0 IKAFRN COc1ccc(CC[C@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028768636 563064321 /nfs/dbraw/zinc/06/43/21/563064321.db2.gz FKNBVWMLDHPIHH-UGKGYDQZSA-N 0 0 433.335 5.100 1 0 IKAFRN Clc1ccc([C@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)c(Cl)c1 ZINC000028769176 563064355 /nfs/dbraw/zinc/06/43/55/563064355.db2.gz NAEGNFMRFQAVML-MOPGFXCFSA-N 0 0 444.145 6.138 1 0 IKAFRN Cc1cc(CCCOc2c(C)cc(-c3noc(C(Cl)(Cl)Cl)n3)cc2C)on1 ZINC000028769479 563064362 /nfs/dbraw/zinc/06/43/62/563064362.db2.gz YHXNWTZJAZKBCO-UHFFFAOYSA-N 0 0 430.719 5.488 1 0 IKAFRN CCOC(=O)CCCOc1cccc(-n2cnc(-c3ccccc3)c2-c2ccccc2)c1 ZINC000028821611 563065425 /nfs/dbraw/zinc/06/54/25/563065425.db2.gz JJIXHQVIKRMVHG-UHFFFAOYSA-N 0 0 426.516 5.928 1 0 IKAFRN O=C1OC[C@H]2[C@@H]1Cc1c(F)cc(F)cc1[C@@H]2/C=C/c1ccc(-c2cccc(Cl)c2)cn1 ZINC000028823194 563065860 /nfs/dbraw/zinc/06/58/60/563065860.db2.gz AKCPCGPSCPOQSA-FMNPMJHZSA-N 0 0 437.873 5.823 1 0 IKAFRN CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000028823180 563065875 /nfs/dbraw/zinc/06/58/75/563065875.db2.gz SSAGACZMJCYUGT-LBPRGKRZSA-N 0 0 436.788 5.523 1 0 IKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccc(Cl)s4)cn3)[C@H]12 ZINC000028823111 563065907 /nfs/dbraw/zinc/06/59/07/563065907.db2.gz PSAXFUJCKXKIHC-PNQRPMFQSA-N 0 0 427.997 6.481 1 0 IKAFRN CC[C@]1(C[C@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826132 563066386 /nfs/dbraw/zinc/06/63/86/563066386.db2.gz PUKRFHNVKSXPBK-RPWUZVMVSA-N 0 0 429.482 5.369 1 0 IKAFRN CC[C@]1(C[C@@](O)(CNc2cccc3nc(C)ccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826212 563066393 /nfs/dbraw/zinc/06/63/93/563066393.db2.gz XJFFZMILSHZEQK-JWQCQUIFSA-N 0 0 442.525 6.323 1 0 IKAFRN CC[C@]1(C[C@](O)(CNc2cccc3ncccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826204 563066399 /nfs/dbraw/zinc/06/63/99/563066399.db2.gz HOGKUWCBDMVMEX-RPWUZVMVSA-N 0 0 428.498 6.015 1 0 IKAFRN CC[C@@]1(C[C@](O)(CNc2cccc3nc(C)ccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826213 563066401 /nfs/dbraw/zinc/06/64/01/563066401.db2.gz XJFFZMILSHZEQK-DQEYMECFSA-N 0 0 442.525 6.323 1 0 IKAFRN CC[C@@]1(C[C@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826131 563066415 /nfs/dbraw/zinc/06/64/15/563066415.db2.gz PUKRFHNVKSXPBK-ZEQRLZLVSA-N 0 0 429.482 5.369 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000028862483 563066853 /nfs/dbraw/zinc/06/68/53/563066853.db2.gz OIXUDXUFFGADIZ-LJQANCHMSA-N 0 0 439.276 6.345 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000028862492 563066860 /nfs/dbraw/zinc/06/68/60/563066860.db2.gz HKQIVQXRLSITNO-LJQANCHMSA-N 0 0 439.276 6.345 1 0 IKAFRN COc1ccc(CCSc2nc([C@@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862835 563066921 /nfs/dbraw/zinc/06/69/21/563066921.db2.gz LOXQNIAXBACKIR-ZDUSSCGKSA-N 0 0 449.403 5.880 1 0 IKAFRN CCCCN(CCCC)c1c(Cl)cc(S(=O)(=O)Nc2ccccc2)cc1Cl ZINC000028862768 563066925 /nfs/dbraw/zinc/06/69/25/563066925.db2.gz AZIIDWYJBQBFKY-UHFFFAOYSA-N 0 0 429.413 6.201 1 0 IKAFRN COc1cccc(/C(=C/C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1 ZINC000028863836 563067141 /nfs/dbraw/zinc/06/71/41/563067141.db2.gz FZOWFVZHHXRPBW-HKOYGPOVSA-N 0 0 443.543 5.834 1 0 IKAFRN C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)C4=CCCO[C@@H]4C3)CCC[C@@]21C ZINC000028865752 563067147 /nfs/dbraw/zinc/06/71/47/563067147.db2.gz LFHQKMQIKUQKFP-LFBWEUDOSA-N 0 0 442.684 6.503 1 0 IKAFRN Cc1ccc(/C(=C/C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)cc1 ZINC000028863819 563067176 /nfs/dbraw/zinc/06/71/76/563067176.db2.gz SDIMDCHCSGMQJP-MOHJPFBDSA-N 0 0 427.544 6.134 1 0 IKAFRN O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ncc3[nH]2)cc1)C1CCCCC1 ZINC000028866703 563067286 /nfs/dbraw/zinc/06/72/86/563067286.db2.gz MXIQUEWGKHJMKI-UHFFFAOYSA-N 0 0 445.567 5.663 1 0 IKAFRN CC1(C)OC(=O)N(Cc2ccccc2)c2ccc(Nc3ccc(Br)cc3)cc21 ZINC000028878588 563067682 /nfs/dbraw/zinc/06/76/82/563067682.db2.gz HINGRVCUXDDBIX-UHFFFAOYSA-N 0 0 437.337 6.585 1 0 IKAFRN COc1cc(CN2CCc3cc(OC)c(OC)cc3C2)cc2cc(-c3ccccc3)oc21 ZINC000028878114 563067758 /nfs/dbraw/zinc/06/77/58/563067758.db2.gz CFGJMINARVBJLW-UHFFFAOYSA-N 0 0 429.516 5.684 1 0 IKAFRN CC(C)(C)c1ccc(CN2C(=O)COc3ccc(C=C4SC(=S)NC4=O)cc32)cc1 ZINC000028883190 563067950 /nfs/dbraw/zinc/06/79/50/563067950.db2.gz HAXIBPHPLDMQQK-ODLFYWEKSA-N 0 0 438.574 5.239 1 0 IKAFRN COc1cc(-c2cnc(N)c3c(-c4ccc(F)c(Cl)c4)csc32)cc(OC)c1OC ZINC000028884544 563067968 /nfs/dbraw/zinc/06/79/68/563067968.db2.gz FWOCGIOVAMTZBW-UHFFFAOYSA-N 0 0 444.915 6.031 1 0 IKAFRN Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(OC(F)F)c4)c3)c12 ZINC000028885376 563068037 /nfs/dbraw/zinc/06/80/37/563068037.db2.gz ZIWHWZGPSKMTAF-UHFFFAOYSA-N 0 0 436.462 5.426 1 0 IKAFRN COc1cc(-c2cnc(N)c3c(-c4ccc(C(C)=O)cc4)csc32)cc(OC)c1OC ZINC000028884684 563068048 /nfs/dbraw/zinc/06/80/48/563068048.db2.gz LMNFJUCPNXRSEZ-UHFFFAOYSA-N 0 0 434.517 5.441 1 0 IKAFRN NC(=O)Cc1cn(CCCOc2ccccc2)c2ccc(-c3ccc(F)c(Cl)c3)cc12 ZINC000028888356 563068213 /nfs/dbraw/zinc/06/82/13/563068213.db2.gz MFVSTVFIDPXADG-UHFFFAOYSA-N 0 0 436.914 5.598 1 0 IKAFRN CCc1nc(C)nc(N[C@@H](CC)c2ccc(Oc3ccc(F)cc3)cc2)c1Br ZINC000028887732 563068239 /nfs/dbraw/zinc/06/82/39/563068239.db2.gz KSBXLJJMFBWSGZ-IBGZPJMESA-N 0 0 444.348 6.605 1 0 IKAFRN Cc1ccc(Sc2cc(O)cc(C[C@]3(C)[C@@H](C)CC[C@]4(C)C(C)=CCC[C@@H]34)c2O)cc1 ZINC000028892160 563068381 /nfs/dbraw/zinc/06/83/81/563068381.db2.gz PCUDRFXNVYNJTO-CBIWFYJWSA-N 0 0 436.661 7.899 1 0 IKAFRN COC(=O)c1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)c(O)c1 ZINC000028895977 563068816 /nfs/dbraw/zinc/06/88/16/563068816.db2.gz ZZFVSKKGJZAKLV-MNPWCPBLSA-N 0 0 449.591 6.649 1 0 IKAFRN COC(=O)c1ccccc1NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000028896142 563068851 /nfs/dbraw/zinc/06/88/51/563068851.db2.gz YOMIDUMBTUMXCZ-GFDJYDRDSA-N 0 0 433.592 6.943 1 0 IKAFRN Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1CN(C)Cc1cccnc1 ZINC000028903837 563069173 /nfs/dbraw/zinc/06/91/73/563069173.db2.gz LRUIXNZPLHBZPB-UHFFFAOYSA-N 0 0 444.970 5.279 1 0 IKAFRN Cn1c2ccccc2c(Cc2c3ccccc3n(C)c2-c2ccccc2)c1-c1ccccc1 ZINC000028949193 563069442 /nfs/dbraw/zinc/06/94/42/563069442.db2.gz VMHDDJVRSFDCSR-UHFFFAOYSA-N 0 0 426.563 7.595 1 0 IKAFRN O=C(Nc1nc(-c2ccc(F)c(F)c2F)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952679 563069839 /nfs/dbraw/zinc/06/98/39/563069839.db2.gz HKRLBAXKTBQJLR-UHFFFAOYSA-N 0 0 427.411 5.013 1 0 IKAFRN O=C(Nc1nc(-c2cccc(Cl)c2F)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952559 563069862 /nfs/dbraw/zinc/06/98/62/563069862.db2.gz DXHUOOMKFAEHNI-UHFFFAOYSA-N 0 0 425.876 5.389 1 0 IKAFRN O=C(Nc1nc(-c2cccc(C(F)(F)F)n2)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952674 563069882 /nfs/dbraw/zinc/06/98/82/563069882.db2.gz FKPZTHGAFNXVNA-UHFFFAOYSA-N 0 0 442.426 5.010 1 0 IKAFRN CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCF ZINC000028956381 563070348 /nfs/dbraw/zinc/07/03/48/563070348.db2.gz CZDYVVMDBOUYST-JTHBVZDNSA-N 0 0 436.531 5.161 1 0 IKAFRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1NCc1ccc2c(c1)OCO2 ZINC000028957147 563070442 /nfs/dbraw/zinc/07/04/42/563070442.db2.gz KFVKYZSMMMDKRE-UHFFFAOYSA-N 0 0 439.471 5.467 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@@H]1CCc2cc(Cl)ccc2[C@@H]1Cc1ccccc1 ZINC000028959243 563070613 /nfs/dbraw/zinc/07/06/13/563070613.db2.gz RHIDQKHRPVMEGG-AZGAKELHSA-N 0 0 441.962 6.351 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@H]1CCc2cc(F)ccc2[C@@H]1Cc1cccs1 ZINC000028959291 563070619 /nfs/dbraw/zinc/07/06/19/563070619.db2.gz JKABFGLBOSYBEB-UPVQGACJSA-N 0 0 431.536 5.898 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@@H]1CCc2ccc(Cl)cc2[C@@H]1Cc1ccccc1 ZINC000028959247 563070633 /nfs/dbraw/zinc/07/06/33/563070633.db2.gz NFFVSJUMRUCIOC-AZGAKELHSA-N 0 0 441.962 6.351 1 0 IKAFRN CC(=O)Nc1nc2c(cccc2Oc2ncnc(-c3ccc(C(F)(F)F)cc3)c2C)s1 ZINC000028961077 563070669 /nfs/dbraw/zinc/07/06/69/563070669.db2.gz NWKAFBUYNNJYEC-UHFFFAOYSA-N 0 0 444.438 5.831 1 0 IKAFRN CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(C)n2)s1 ZINC000028961097 563070721 /nfs/dbraw/zinc/07/07/21/563070721.db2.gz CSMSNNAMNQYBGL-UHFFFAOYSA-N 0 0 444.438 5.831 1 0 IKAFRN COc1ccc2c(c1)CC[C@H](NC(=O)Nc1cccc3cnccc31)[C@H]2Cc1cccnc1 ZINC000028959318 563070726 /nfs/dbraw/zinc/07/07/26/563070726.db2.gz LNMXHEJXRPUGBT-AHWVRZQESA-N 0 0 438.531 5.101 1 0 IKAFRN CC(=O)N1C[C@@H](c2ccccc2)[C@H](O[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000028962013 563070799 /nfs/dbraw/zinc/07/07/99/563070799.db2.gz FDLMXQUTNNMCCC-QTJFZDIUSA-N 0 0 445.403 5.816 1 0 IKAFRN CCCCC/C=C\C/C=C\CCCCCCCc1cc(OC(C)=O)cc(OC(C)=O)c1 ZINC000028972208 563071201 /nfs/dbraw/zinc/07/12/01/563071201.db2.gz WXVTZFAQKBGMLT-MURFETPASA-N 0 0 428.613 7.503 1 0 IKAFRN Clc1cccc(Cl)c1CSc1nnc(-c2cccs2)n1Cc1ccccc1 ZINC000028976720 563071400 /nfs/dbraw/zinc/07/14/00/563071400.db2.gz YDALHBZJXAYIJN-UHFFFAOYSA-N 0 0 432.401 6.654 1 0 IKAFRN Clc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1Cl ZINC000028976724 563071406 /nfs/dbraw/zinc/07/14/06/563071406.db2.gz LPNLQDUHPHESAD-UHFFFAOYSA-N 0 0 432.401 6.654 1 0 IKAFRN Clc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)c(Cl)c1 ZINC000028976711 563071410 /nfs/dbraw/zinc/07/14/10/563071410.db2.gz KFHQUAWVXUHCBF-UHFFFAOYSA-N 0 0 432.401 6.654 1 0 IKAFRN Clc1ccc(Cl)c(CSc2nnc(-c3cccs3)n2Cc2ccccc2)c1 ZINC000028976715 563071433 /nfs/dbraw/zinc/07/14/33/563071433.db2.gz KBRHJBHZVTZDSL-UHFFFAOYSA-N 0 0 432.401 6.654 1 0 IKAFRN Clc1ccc(CSc2nnc(-c3ccsc3)n2Cc2ccccc2)cc1Cl ZINC000028976804 563071475 /nfs/dbraw/zinc/07/14/75/563071475.db2.gz OWEWNTPZQOTBPH-UHFFFAOYSA-N 0 0 432.401 6.654 1 0 IKAFRN CC(C)=C(F)CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@H]4[C@H](CC[C@@H](O)C4(C)C)C[C@@H]3CC[C@]12C ZINC000028978987 563071488 /nfs/dbraw/zinc/07/14/88/563071488.db2.gz XHEXIKVQVFHZCB-IYUKCRFFSA-N 0 0 446.735 8.712 1 0 IKAFRN Cc1cc(NC(=O)Cc2ccncc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029042454 563072138 /nfs/dbraw/zinc/07/21/38/563072138.db2.gz JUVBYNCZKRSBLP-UHFFFAOYSA-N 0 0 446.938 5.048 1 0 IKAFRN Cc1cc(C(=O)NCc2ccccc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029043022 563072331 /nfs/dbraw/zinc/07/23/31/563072331.db2.gz WWDUOXIAKVMVGX-UHFFFAOYSA-N 0 0 445.950 5.402 1 0 IKAFRN Cc1ccc([C@@H]2COc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3N2CC(F)(F)F)cc1 ZINC000029045794 563072531 /nfs/dbraw/zinc/07/25/31/563072531.db2.gz HQNOVZYEKYYMRF-KRWDZBQOSA-N 0 0 442.359 5.358 1 0 IKAFRN Cc1cccc([C@@H]2COc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3N2CC(F)(F)F)c1 ZINC000029045980 563072602 /nfs/dbraw/zinc/07/26/02/563072602.db2.gz OSDVUWDMBUJPMG-KRWDZBQOSA-N 0 0 442.359 5.358 1 0 IKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4ccc(Cl)c5c4CCC5)cc3)oc2c(C)c1 ZINC000029048336 563072901 /nfs/dbraw/zinc/07/29/01/563072901.db2.gz FNRWRFBMRAOMIF-UHFFFAOYSA-N 0 0 446.934 6.271 1 0 IKAFRN Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000029049288 563072914 /nfs/dbraw/zinc/07/29/14/563072914.db2.gz NXNMMJMQGPGDCC-UHFFFAOYSA-N 0 0 434.495 6.488 1 0 IKAFRN O=C(c1cncc(COc2c(Cl)cccc2Cl)c1)N1CCCC[C@@H]1c1cccnc1 ZINC000029049474 563072961 /nfs/dbraw/zinc/07/29/61/563072961.db2.gz DCDGQBAJMIITEP-OAQYLSRUSA-N 0 0 442.346 5.730 1 0 IKAFRN Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1-c1csc(Nc2ccc(C)cc2)n1 ZINC000029051557 563073046 /nfs/dbraw/zinc/07/30/46/563073046.db2.gz KTHWZZMTSGGRAZ-UHFFFAOYSA-N 0 0 440.981 6.533 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1cccc2ccccc21 ZINC000029053442 563073272 /nfs/dbraw/zinc/07/32/72/563073272.db2.gz LZBIXRGYFZPMDA-RUZDIDTESA-N 0 0 436.599 7.525 1 0 IKAFRN O=C1c2cc(Br)cc(Br)c2N(Cc2cccc3ccccc32)C1=O ZINC000029057958 563073607 /nfs/dbraw/zinc/07/36/07/563073607.db2.gz QKECQFNUXGQNJC-UHFFFAOYSA-N 0 0 445.110 5.094 1 0 IKAFRN CCc1ccc(NC(=O)Cc2cs/c(=N/c3ccc(Oc4ccccc4)cc3)n2C)cc1 ZINC000029124892 563074198 /nfs/dbraw/zinc/07/41/98/563074198.db2.gz BOVULPDSKHSKQR-BYCLXTJYSA-N 0 0 443.572 5.855 1 0 IKAFRN CCn1nnnc1-c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000029124906 563074199 /nfs/dbraw/zinc/07/41/99/563074199.db2.gz NLTAGXYTRBJPAD-UHFFFAOYSA-N 0 0 433.730 5.481 1 0 IKAFRN Cc1c(-c2nnnn2C2CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000029124811 563074202 /nfs/dbraw/zinc/07/42/02/563074202.db2.gz MPMIJDZGZADELK-UHFFFAOYSA-N 0 0 445.741 5.796 1 0 IKAFRN CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(Br)c(C)c3)n2C)cc1 ZINC000029124656 563074206 /nfs/dbraw/zinc/07/42/06/563074206.db2.gz IDYAXXSFBNAHAB-FLFQWRMESA-N 0 0 444.398 5.134 1 0 IKAFRN CO[C@H]1Cc2c(-c3ccccc3Cl)cccc2N(c2c(Cl)cccc2Cl)C1=O ZINC000029125812 563074490 /nfs/dbraw/zinc/07/44/90/563074490.db2.gz KBFOJUANCXTRLE-FQEVSTJZSA-N 0 0 432.734 6.550 1 0 IKAFRN CC(=O)c1nc2ccc(-c3ccccc3)cc2n1CC(=O)c1ccc(Br)cc1 ZINC000029127753 563075005 /nfs/dbraw/zinc/07/50/05/563075005.db2.gz AITVVSIIENKKOA-UHFFFAOYSA-N 0 0 433.305 5.551 1 0 IKAFRN CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128843 563075227 /nfs/dbraw/zinc/07/52/27/563075227.db2.gz QUDKCXJSFPLCSM-XBUOVCRZSA-N 0 0 434.686 5.554 1 0 IKAFRN CSc1ccc([C@@H](c2cccs2)c2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000029130626 563075567 /nfs/dbraw/zinc/07/55/67/563075567.db2.gz WDEMFHFUAYYOCX-DEOSSOPVSA-N 0 0 425.619 5.361 1 0 IKAFRN CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)O[C@@H](c1ccccc1)C=C4)O[C@H](C)CC3=O ZINC000029133260 563075914 /nfs/dbraw/zinc/07/59/14/563075914.db2.gz NZPJILIUHUBLLF-FZKQIMNGSA-N 0 0 436.891 5.900 1 0 IKAFRN O=C1N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccc3ccccc3c2)c2cc(Cl)ccc21 ZINC000029133321 563075956 /nfs/dbraw/zinc/07/59/56/563075956.db2.gz BZDRLTZGNVDUFJ-DEOSSOPVSA-N 0 0 440.930 5.381 1 0 IKAFRN CCCC[C@@H]1C=Cc2c3c(c4oc(=O)cc(CCC(F)(F)F)c4c2O1)C(=O)C[C@@H](C)O3 ZINC000029133493 563075997 /nfs/dbraw/zinc/07/59/97/563075997.db2.gz IABROMSHKZJLPK-TZMCWYRMSA-N 0 0 436.426 5.606 1 0 IKAFRN COc1cc2nccc(Oc3ccc4c(cccc4C(=O)NC4CCC4)c3)c2cc1OC ZINC000029133921 563075998 /nfs/dbraw/zinc/07/59/98/563075998.db2.gz BYYYCNUDMZSOGS-UHFFFAOYSA-N 0 0 428.488 5.480 1 0 IKAFRN CCOC(=O)c1ccc(NCCCCCCCCCCCCCCCCSCC)cc1 ZINC000029215420 563076752 /nfs/dbraw/zinc/07/67/52/563076752.db2.gz XJVYBGZHKKXNHA-UHFFFAOYSA-N 0 0 449.745 8.490 1 0 IKAFRN O=c1cc(-c2cccc(C=Cc3ccc4ccccc4n3)c2)oc2ccc(-c3nn[nH]n3)cc12 ZINC000029221817 563076806 /nfs/dbraw/zinc/07/68/06/563076806.db2.gz KSRLCKGUHAUHCH-DHZHZOJOSA-N 0 0 443.466 5.359 1 0 IKAFRN CCN(CC)C(=O)N(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1OC ZINC000029241076 563077100 /nfs/dbraw/zinc/07/71/00/563077100.db2.gz CVMHROJNXKVUSJ-UHFFFAOYSA-N 0 0 440.975 5.924 1 0 IKAFRN CSc1ccc(/C=C2\CSC[C@H]3C2=NN(C(C)=O)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000029244836 563077170 /nfs/dbraw/zinc/07/71/70/563077170.db2.gz OXNNTRQWIBIUKJ-NGXGAZCZSA-N 0 0 440.659 5.836 1 0 IKAFRN CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1NCc1ccc(OC)c(Cl)c1 ZINC000029340168 563078318 /nfs/dbraw/zinc/07/83/18/563078318.db2.gz XXAGNOMNFKSMBE-UHFFFAOYSA-N 0 0 438.833 5.704 1 0 IKAFRN C[C@H](C[C@@H](C)CCCC(C)(C)O)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C ZINC000029390165 563078845 /nfs/dbraw/zinc/07/88/45/563078845.db2.gz JVJXQOLFONAGPX-WBHREKBKSA-N 0 0 434.705 6.421 1 0 IKAFRN C[C@H](CCCC(C)(C)O)C[C@@H](C)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C ZINC000029390168 563078904 /nfs/dbraw/zinc/07/89/04/563078904.db2.gz JVJXQOLFONAGPX-QGSRUOKDSA-N 0 0 434.705 6.421 1 0 IKAFRN CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 ZINC000029408321 563079702 /nfs/dbraw/zinc/07/97/02/563079702.db2.gz XXRGBOJNIBNHHV-UHFFFAOYSA-N 0 0 442.535 5.103 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(cc3CO)C[C@@H](O)CC[C@@H](C)CCC[C@@]21C ZINC000029409438 563079710 /nfs/dbraw/zinc/07/97/10/563079710.db2.gz XNBOHAUDJPAPCB-JVLKDCSASA-N 0 0 442.728 7.645 1 0 IKAFRN C/C1=C/CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)c2ccc(cc2C=O)C[C@@H](O)CC1 ZINC000029412516 563079888 /nfs/dbraw/zinc/07/98/88/563079888.db2.gz WFHYSJRWYJHNJM-PZWZCXTDSA-N 0 0 438.696 7.885 1 0 IKAFRN COC(=O)c1ccccc1-c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(=N)s1 ZINC000029412028 563079947 /nfs/dbraw/zinc/07/99/47/563079947.db2.gz CZSXTKOCDYSORI-UHFFFAOYSA-N 0 0 448.253 5.192 1 0 IKAFRN N=c1sc(-c2ccc(Br)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000029415795 563080012 /nfs/dbraw/zinc/08/00/12/563080012.db2.gz FOYMKLLLSFIINU-UHFFFAOYSA-N 0 0 435.561 5.803 1 0 IKAFRN Cc1ccc(C(c2ccc(C(C)C)cc(=O)c2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000029463563 563080249 /nfs/dbraw/zinc/08/02/49/563080249.db2.gz FXWXSLDIPGIHJO-UHFFFAOYSA-N 0 0 430.544 5.554 1 0 IKAFRN O=C(NCCCCc1cccnc1)c1ccc(-c2cccc(OC3=CC=CC=CC3)c2)cc1 ZINC000029480155 563080986 /nfs/dbraw/zinc/08/09/86/563080986.db2.gz OXVZHFKZGCMBCC-UHFFFAOYSA-N 0 0 436.555 6.280 1 0 IKAFRN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ncccc2C(F)(F)F)C([N+](=O)[O-])=C(C)N1 ZINC000029485469 563081269 /nfs/dbraw/zinc/08/12/69/563081269.db2.gz CWUITVIIPSEPTE-HGBKYHTQSA-N 0 0 447.413 5.196 1 0 IKAFRN Cc1ccccc1-n1c(NC(=O)Nc2c(C(C)C)cccc2C(C)C)nc2ccccc21 ZINC000029485050 563081330 /nfs/dbraw/zinc/08/13/30/563081330.db2.gz JEHFSWVYSWOUGS-UHFFFAOYSA-N 0 0 426.564 7.225 1 0 IKAFRN CCCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 ZINC000029485074 563081346 /nfs/dbraw/zinc/08/13/46/563081346.db2.gz OJPHVBQPWXJHGQ-HXUWFJFHSA-N 0 0 446.591 5.860 1 0 IKAFRN C[C@@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1cccc(F)c1)c1cccc(F)c1 ZINC000029486434 563081368 /nfs/dbraw/zinc/08/13/68/563081368.db2.gz ACLSUALHMZIIAQ-FQDIRGPQSA-N 0 0 432.514 5.875 1 0 IKAFRN CCCCCC(=O)[C@@H](CCCC)c1oc(=O)c(CCCC)c(OC(C)=O)c1CCCC ZINC000029487577 563081511 /nfs/dbraw/zinc/08/15/11/563081511.db2.gz HCQGETOIRMHVAF-HXUWFJFHSA-N 0 0 434.617 6.674 1 0 IKAFRN COc1ccc(/C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2ccccc2)cc1 ZINC000029546569 563081744 /nfs/dbraw/zinc/08/17/44/563081744.db2.gz VDNHRLWFBHTMGP-HUVLGCKISA-N 0 0 426.560 5.606 1 0 IKAFRN CCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 ZINC000029549266 563081868 /nfs/dbraw/zinc/08/18/68/563081868.db2.gz YNDKGDUUHXQIGS-UHFFFAOYSA-N 0 0 436.581 5.094 1 0 IKAFRN CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 ZINC000029553776 563081986 /nfs/dbraw/zinc/08/19/86/563081986.db2.gz QOXWNWQGQNMZLR-UHFFFAOYSA-N 0 0 434.605 6.304 1 0 IKAFRN C[C@@H]1CC[C@@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000029553018 563082011 /nfs/dbraw/zinc/08/20/11/563082011.db2.gz XUARCIYIVXVTAE-KHSPZFQYSA-N 0 0 442.728 6.997 1 0 IKAFRN C[C@@H]1CC[C@@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000029553021 563082029 /nfs/dbraw/zinc/08/20/29/563082029.db2.gz XUARCIYIVXVTAE-VNKFEJHZSA-N 0 0 442.728 6.997 1 0 IKAFRN Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@H](c2ccccc2)N2CCOCC2)c(C)c1 ZINC000031715910 563083442 /nfs/dbraw/zinc/08/34/42/563083442.db2.gz LZSRHPZGZOQOMC-SVBPBHIXSA-N 0 0 429.560 5.583 1 0 IKAFRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]2CC[C@]2(C)Nc4nc5ccccc5cc4C[C@@H]32)C1 ZINC000031829661 563083502 /nfs/dbraw/zinc/08/35/02/563083502.db2.gz HVLLZGCXBUCKJF-GZWXVEPWSA-N 0 0 430.592 6.056 1 0 IKAFRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4Cc5cc6ccccc6nc5N[C@@]4(C)CC[C@@H]32)C1 ZINC000031829660 563083564 /nfs/dbraw/zinc/08/35/64/563083564.db2.gz HVLLZGCXBUCKJF-QBRNEFFTSA-N 0 0 430.592 6.056 1 0 IKAFRN C/C1=C/CC[C@@](C)(O)[C@@H]2C[C@@H]3[C@@H](OC(=O)[C@H]3CSc3ccccc3)[C@@H](O2)[C@H](C)CCC1 ZINC000031894919 563083707 /nfs/dbraw/zinc/08/37/07/563083707.db2.gz KAWKSVZQTQFMCS-DWZIOYTCSA-N 0 0 444.637 5.392 1 0 IKAFRN Clc1ccc([C@H](CCOc2ccc(Br)cc2)Cn2ccnc2)c(Cl)c1 ZINC000033493839 563084499 /nfs/dbraw/zinc/08/44/99/563084499.db2.gz FVEQGTXOBNBFPK-CQSZACIVSA-N 0 0 440.168 6.205 1 0 IKAFRN CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4c(c3)OCO4)C[C@@]21C ZINC000033970495 563085126 /nfs/dbraw/zinc/08/51/26/563085126.db2.gz DFELGYQKEOCHOA-OUZINBFGSA-N 0 0 430.544 5.069 1 0 investigational IKAFRN O=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(C(F)(F)F)ccc1Cl ZINC000034156647 563085627 /nfs/dbraw/zinc/08/56/27/563085627.db2.gz OVOIWWCVZOAOHT-UHFFFAOYSA-N 0 0 438.176 5.832 1 0 IKAFRN COc1ccc(Oc2ccccc2)cc1Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000034240969 563085921 /nfs/dbraw/zinc/08/59/21/563085921.db2.gz AVFYCOFVNZBPDS-UHFFFAOYSA-N 0 0 438.409 6.102 1 0 IKAFRN CC(C)(C)Nc1nccc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn21 ZINC000034271483 563085968 /nfs/dbraw/zinc/08/59/68/563085968.db2.gz DLKTXULSNGVPGW-UHFFFAOYSA-N 0 0 445.546 5.557 1 0 IKAFRN Cc1cccc(C)c1-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O ZINC000034323975 563086125 /nfs/dbraw/zinc/08/61/25/563086125.db2.gz LZQSJJLHDYOERR-UHFFFAOYSA-N 0 0 434.280 5.382 1 0 IKAFRN c1ccc(-c2nn3c(cccc3NC3CCCC3)c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000034392506 563086302 /nfs/dbraw/zinc/08/63/02/563086302.db2.gz DNJDAOUZXFKWRM-UHFFFAOYSA-N 0 0 438.579 6.167 1 0 IKAFRN Clc1ccc([C@@H](COCc2ccc(-c3ccccc3)cc2)Cn2cncn2)c(Cl)c1 ZINC000034518634 563086350 /nfs/dbraw/zinc/08/63/50/563086350.db2.gz LJFNWFWCIGTAOY-OAQYLSRUSA-N 0 0 438.358 6.253 1 0 IKAFRN COc1cc(C(=O)c2c(N)sc(-c3ccccc3)c2-c2ccccc2)cc(OC)c1OC ZINC000034642860 563086807 /nfs/dbraw/zinc/08/68/07/563086807.db2.gz KAIRKEDZKQYWEX-UHFFFAOYSA-N 0 0 445.540 5.921 1 0 IKAFRN COc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1c(Br)cnn1C(C)C ZINC000034642886 563086821 /nfs/dbraw/zinc/08/68/21/563086821.db2.gz AUGKRYGTYDFPKP-UHFFFAOYSA-N 0 0 447.308 5.685 1 0 IKAFRN C/C=C1/CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1Cc1nccc2c3ccc(O)cc3[nH]c21 ZINC000034859614 563088249 /nfs/dbraw/zinc/08/82/49/563088249.db2.gz LGSVJIPVPIRANC-JKCZZUPASA-N 0 0 448.570 6.011 1 0 IKAFRN Cc1nnc(SCC(=O)Nc2ccc(C)cc2Cl)n1-c1ccc(C)c2ccccc21 ZINC000035002863 563088793 /nfs/dbraw/zinc/08/87/93/563088793.db2.gz XBNKUZHPRGJRTJ-UHFFFAOYSA-N 0 0 436.968 5.730 1 0 IKAFRN CNc1ncc2cc(-c3cc(Nc4nc5cc(C(F)(F)F)ccc5[nH]4)ccc3C)ccc2n1 ZINC000035049801 563089022 /nfs/dbraw/zinc/08/90/22/563089022.db2.gz XDGHTBHPIPZHLJ-UHFFFAOYSA-N 0 0 448.452 6.286 1 0 IKAFRN CNc1ncc2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)ccc2n1 ZINC000035049799 563089045 /nfs/dbraw/zinc/08/90/45/563089045.db2.gz FNYWVPCDXNSWSG-UHFFFAOYSA-N 0 0 436.437 5.918 1 0 IKAFRN C[C@H](C[NH2+]CCCCCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000035050532 563089099 /nfs/dbraw/zinc/08/90/99/563089099.db2.gz WMZFNPVKHXBOLV-JDTILAPWSA-N 0 0 445.688 5.797 1 0 IKAFRN O=C(NCCCCNc1ccnc2cc(Cl)ccc21)c1ccccc1Br ZINC000035190675 563089424 /nfs/dbraw/zinc/08/94/24/563089424.db2.gz BZCJMDNUOPIFDP-UHFFFAOYSA-N 0 0 432.749 5.273 1 0 IKAFRN CN(CCCNc1ccnc2cc(Cl)ccc21)C(=O)c1cccc(Br)c1 ZINC000035190742 563089441 /nfs/dbraw/zinc/08/94/41/563089441.db2.gz GGXYSDSJLOYHGZ-UHFFFAOYSA-N 0 0 432.749 5.225 1 0 IKAFRN CCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F)c(F)c1 ZINC000035090935 563089458 /nfs/dbraw/zinc/08/94/58/563089458.db2.gz NTNVPFWZIMZXCF-VIFPVBQESA-N 0 0 449.811 5.265 1 0 IKAFRN COc1cc(O)cc(CCCCCCCCCCCCCCc2cc(O)cc(O)c2)c1 ZINC000035259390 563089622 /nfs/dbraw/zinc/08/96/22/563089622.db2.gz HACJVLBLYFAKNF-UHFFFAOYSA-N 0 0 428.613 7.278 1 0 IKAFRN O=C(CCCCCCc1ccccc1)c1ncc(-c2ccc(C(=O)C(F)(F)F)cc2)o1 ZINC000035259932 563089636 /nfs/dbraw/zinc/08/96/36/563089636.db2.gz PXPNASDGWRDRRC-UHFFFAOYSA-N 0 0 429.438 6.463 1 0 IKAFRN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3c(n2C)CCCC3)c1 ZINC000035849939 563090155 /nfs/dbraw/zinc/09/01/55/563090155.db2.gz ACVBCHUVZIWAEH-UHFFFAOYSA-N 0 0 448.876 5.594 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ccncc2s1)C(F)(F)F ZINC000035879348 563090245 /nfs/dbraw/zinc/09/02/45/563090245.db2.gz ORHHWJMIJCSUTC-HXUWFJFHSA-N 0 0 427.463 5.648 1 0 IKAFRN CCN(CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl ZINC000035933711 563090460 /nfs/dbraw/zinc/09/04/60/563090460.db2.gz IUJVGMXTNWYJCB-UHFFFAOYSA-N 0 0 425.800 5.721 1 0 IKAFRN c1ccc([C@@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 ZINC000035984660 563090619 /nfs/dbraw/zinc/09/06/19/563090619.db2.gz RGZGFOJOCZGGIT-NRFANRHFSA-N 0 0 444.629 6.597 1 0 IKAFRN O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000035998322 563090680 /nfs/dbraw/zinc/09/06/80/563090680.db2.gz PCQJCXVKLZYMLK-UHFFFAOYSA-N 0 0 449.432 7.204 1 0 IKAFRN CCCP(=O)(CCC)c1ccc(Nc2nc(C3CCCC3)nc3c2ncn3CC)cc1 ZINC000035998089 563090709 /nfs/dbraw/zinc/09/07/09/563090709.db2.gz QWYGJEVWFGFNRP-UHFFFAOYSA-N 0 0 439.544 6.056 1 0 IKAFRN Cc1ccccc1C(=O)N1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 ZINC000036089438 563090888 /nfs/dbraw/zinc/09/08/88/563090888.db2.gz NCXICMCRAZHQIK-UHFFFAOYSA-N 0 0 444.966 5.266 1 0 IKAFRN O=C(CCCn1c2ccccc2c2c1CN(CCc1ccccn1)CC2)c1ccc(F)cc1 ZINC000036093020 563090924 /nfs/dbraw/zinc/09/09/24/563090924.db2.gz HXVCXSCIXOEWNA-UHFFFAOYSA-N 0 0 441.550 5.439 1 0 IKAFRN Fc1ccc(CN2CCN(C3=Nc4cc(Cl)ccc4Nc4ccccc43)CC2)c(F)c1 ZINC000036089488 563090929 /nfs/dbraw/zinc/09/09/29/563090929.db2.gz IOUMPQDJIZFQOW-UHFFFAOYSA-N 0 0 438.909 5.571 1 0 IKAFRN O=C([O-])[C@@H]1CCC[N@@H+]1CCOc1ccc(-c2ccsc2)cc1Sc1cccc(F)c1 ZINC000036143390 563091237 /nfs/dbraw/zinc/09/12/37/563091237.db2.gz APMOGVRVYQSCPR-FQEVSTJZSA-N 0 0 443.565 5.633 1 0 IKAFRN O=S(=O)(c1ccc(Cl)cc1)[C@@]1(c2cc(F)ccc2F)CCC[C@@H](CCCO)C1 ZINC000036175668 563091456 /nfs/dbraw/zinc/09/14/56/563091456.db2.gz HKLAPOGFLJUIME-BTYIYWSLSA-N 0 0 428.928 5.250 1 0 IKAFRN CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(-c2ccccc2C(F)(F)F)s1 ZINC000036176582 563091619 /nfs/dbraw/zinc/09/16/19/563091619.db2.gz ZXJGXSYDLNFKQE-NPFVIJTESA-N 0 0 431.479 5.482 1 0 IKAFRN O=C([O-])[C@@H]1C[NH2+][C@@H](c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 ZINC000036178510 563091644 /nfs/dbraw/zinc/09/16/44/563091644.db2.gz DHVYHNBDKXSJGJ-OXJNMPFZSA-N 0 0 447.478 5.748 1 0 IKAFRN O=C([O-])C[C@@H]1C[NH2+][C@@H](c2ccc(-c3noc(-c4ccc(CCC(F)(F)F)cc4)n3)cc2)C1 ZINC000036178533 563091657 /nfs/dbraw/zinc/09/16/57/563091657.db2.gz QMNAPCZIOKPJDQ-DNVCBOLYSA-N 0 0 445.441 5.024 1 0 IKAFRN C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000036294861 563092652 /nfs/dbraw/zinc/09/26/52/563092652.db2.gz YDCTWGDCYUTKLP-MHECFPHRSA-N 0 0 439.958 6.168 1 0 IKAFRN O=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000036294701 563092681 /nfs/dbraw/zinc/09/26/81/563092681.db2.gz YCVHHBIJYZETRR-UHFFFAOYSA-N 0 0 448.781 6.562 1 0 IKAFRN C[C@H](Nc1cc(-c2cccc(N(C)C)c2)nc(-n2cnc3ccncc32)n1)c1ccccc1 ZINC000036348901 563093069 /nfs/dbraw/zinc/09/30/69/563093069.db2.gz HQMGONANONWPGR-SFHVURJKSA-N 0 0 435.535 5.117 1 0 IKAFRN C[NH+](C)CCN1CCn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccccc21 ZINC000036350477 563093259 /nfs/dbraw/zinc/09/32/59/563093259.db2.gz LQZXCOLAMRQZER-UHFFFAOYSA-N 0 0 431.580 5.436 1 0 IKAFRN O=C(Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc31)O2)c1ccccc1 ZINC000036379116 563093609 /nfs/dbraw/zinc/09/36/09/563093609.db2.gz UIMQHKKHXDXZLM-HSZRJFAPSA-N 0 0 429.479 6.168 3 0 IKAFRN CC(C)(C)OC(=O)Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000036379093 563093610 /nfs/dbraw/zinc/09/36/10/563093610.db2.gz PBBFTQAMAYRELA-HXUWFJFHSA-N 0 0 425.488 6.263 1 0 IKAFRN Cn1nnnc1Sc1ncnc2scc(-c3cccc4c5ccccc5sc43)c21 ZINC000036380201 563093675 /nfs/dbraw/zinc/09/36/75/563093675.db2.gz DEVPNNKKGPZYFO-UHFFFAOYSA-N 0 0 432.559 5.401 3 0 IKAFRN Cc1nc2c3ccccc3oc2c(SCc2nc3cc(Br)ccc3[nH]2)n1 ZINC000036380929 563093795 /nfs/dbraw/zinc/09/37/95/563093795.db2.gz LDRHASWWKINBCW-UHFFFAOYSA-N 0 0 425.311 5.616 3 0 IKAFRN CCCCCCSc1cc(-c2nc3cnccn3c2NCc2ccccc2)ccc1OC ZINC000036382307 563093934 /nfs/dbraw/zinc/09/39/34/563093934.db2.gz LRYJHMUBZGFLAV-UHFFFAOYSA-N 0 0 446.620 6.689 3 0 IKAFRN CCCCCCSc1cccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)c1 ZINC000036382318 563093937 /nfs/dbraw/zinc/09/39/37/563093937.db2.gz BNWYAYUIEFNXOC-UHFFFAOYSA-N 0 0 429.633 7.594 3 0 IKAFRN CCCCNc1c(-c2ccc(SC3CCCCC3)c(OC)c2)nc2ccc(Cl)cn21 ZINC000036382338 563093961 /nfs/dbraw/zinc/09/39/61/563093961.db2.gz SKEOOSMHSADXHA-UHFFFAOYSA-N 0 0 444.044 7.300 3 0 IKAFRN Cc1ccc(S(=O)(=O)C2CCN(c3nc(-c4cccs4)nc4ccccc43)CC2)cc1 ZINC000036382807 563094023 /nfs/dbraw/zinc/09/40/23/563094023.db2.gz UFGXHAYLSMZGGX-UHFFFAOYSA-N 0 0 449.601 5.109 3 0 IKAFRN C[C@@H]1C(=O)CC[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000036385247 563094370 /nfs/dbraw/zinc/09/43/70/563094370.db2.gz OFMXGFHWLZPCFL-UQUQUHMBSA-N 0 0 426.729 8.457 1 0 IKAFRN COc1ccc([C@@H]2[C@@H]3C=CC[C@H](c4ccccc4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000036388068 563094696 /nfs/dbraw/zinc/09/46/96/563094696.db2.gz HICQVDFZODOJKK-JUIYCPNDSA-N 0 0 443.974 6.408 1 0 IKAFRN COc1ccc(-c2ccc(C)cc2)cc1[C@@H]1[C@@H]2C=CCC[C@]2(C)C(=O)N1Cc1ccccc1 ZINC000036388010 563094719 /nfs/dbraw/zinc/09/47/19/563094719.db2.gz UYTCXJUVDNZGAE-ZFOGOZASSA-N 0 0 437.583 6.727 1 0 IKAFRN C[C@]12C[C@@]3(CC1=O)CC[C@@H]1[C@](C)(C(=O)Nc4ccc(Cl)cc4)CCC[C@@]1(C)[C@@H]3CC2 ZINC000036387900 563094751 /nfs/dbraw/zinc/09/47/51/563094751.db2.gz RXOFZYKGYHUSJG-DCWXTMKTSA-N 0 0 428.016 6.651 3 0 IKAFRN COc1ccc(CNC(=O)[C@]2(C)CCC[C@@]3(C)[C@@H]4CC[C@@]5(C)C[C@@]4(CC5=O)CC[C@H]23)cc1 ZINC000036387944 563094752 /nfs/dbraw/zinc/09/47/52/563094752.db2.gz YLHJJCIMCUBIGM-PUCDVXMCSA-N 0 0 437.624 5.684 3 0 IKAFRN Cc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000036388292 563094761 /nfs/dbraw/zinc/09/47/61/563094761.db2.gz IKMYLWAYVUFRCF-VYLXUYPLSA-N 0 0 425.547 6.713 1 0 IKAFRN COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036388262 563094775 /nfs/dbraw/zinc/09/47/75/563094775.db2.gz IYQXWEQTZIWLBE-IVLSQBGHSA-N 0 0 441.546 6.413 1 0 IKAFRN Cc1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036388241 563094777 /nfs/dbraw/zinc/09/47/77/563094777.db2.gz YSRZWGRSLGAGHJ-NLFWHDTNSA-N 0 0 425.547 6.857 1 0 IKAFRN C[C@]12CCC=C[C@@H]1[C@H](c1ccc3ccccc3c1Br)N(Cc1ccccc1)C2=O ZINC000036388190 563094806 /nfs/dbraw/zinc/09/48/06/563094806.db2.gz MKUQHWSYDVIMFL-CWDLOFLHSA-N 0 0 446.388 6.658 1 0 IKAFRN COc1ccc(/C=C/c2ccccc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036388171 563094814 /nfs/dbraw/zinc/09/48/14/563094814.db2.gz MDQJZJCSIDCKTP-PAUMWLLRSA-N 0 0 449.594 6.778 1 0 IKAFRN C[C@]12CCC=C[C@H]1[C@H](c1ccc(/C=C/c3ccccc3)cc1F)N(Cc1ccccc1)C2=O ZINC000036388290 563094818 /nfs/dbraw/zinc/09/48/18/563094818.db2.gz ODWPOIWZPBWHQI-JKVPDQICSA-N 0 0 437.558 7.052 1 0 IKAFRN CC(C)=CC[C@@H](OC(C)=O)/C(C)=C/[C@H](O)C/C(C)=C/COc1ccc2ccc(=O)oc2c1 ZINC000036403198 563095169 /nfs/dbraw/zinc/09/51/69/563095169.db2.gz GPZNNGDJDDVSLA-HQTVCSONSA-N 0 0 440.536 5.103 1 0 IKAFRN Cc1cc(=O)c(-c2nnc(Nc3ccccc3F)s2)nn1-c1ccc(Cl)cc1Cl ZINC000036454787 563095344 /nfs/dbraw/zinc/09/53/44/563095344.db2.gz ZHVVDMQYVHUDHX-UHFFFAOYSA-N 0 0 448.310 5.249 1 0 IKAFRN S=C1N=NC(CSc2nnc(-c3ccccc3)n2-c2ccccc2)N1C1CCCCC1 ZINC000036729279 563095801 /nfs/dbraw/zinc/09/58/01/563095801.db2.gz RHDUOHNQOKLRTI-UHFFFAOYSA-N 0 0 448.621 5.612 1 0 IKAFRN COC[C@H](C)Nc1nccc(N(C(=O)Nc2ccccc2Cl)c2ccc(F)cc2)n1 ZINC000036761647 563095818 /nfs/dbraw/zinc/09/58/18/563095818.db2.gz QEJUIINWBWSIHM-AWEZNQCLSA-N 0 0 429.883 5.086 1 0 IKAFRN COc1cccc([C@@H]2c3c(ccc4ccccc43)Oc3ncn(-c4cccnc4)c(=N)c32)c1 ZINC000038142928 563096176 /nfs/dbraw/zinc/09/61/76/563096176.db2.gz YVXNCAZIIULKJA-HSZRJFAPSA-N 0 0 432.483 5.194 1 0 IKAFRN CCOc1ccc(-c2c3c(c(O)c4ncccc42)C(=O)N(Cc2ccc(F)cc2)C3)cc1 ZINC000038143456 563096254 /nfs/dbraw/zinc/09/62/54/563096254.db2.gz SWIBQBSOVYGWFN-UHFFFAOYSA-N 0 0 428.463 5.301 1 0 IKAFRN CC(C)(C)C(=O)Nc1ccc2[nH]c(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nc2c1 ZINC000038147881 563096391 /nfs/dbraw/zinc/09/63/91/563096391.db2.gz WPWODYUMTXQMLE-UHFFFAOYSA-N 0 0 446.938 6.120 1 0 IKAFRN CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)[C@@H](CO)c1ccccc1 ZINC000038149611 563096462 /nfs/dbraw/zinc/09/64/62/563096462.db2.gz QTIICHXFYACDHK-INIZCTEOSA-N 0 0 441.799 5.212 1 0 IKAFRN C[C@@](O)(c1ccncc1Cl)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000038152131 563096716 /nfs/dbraw/zinc/09/67/16/563096716.db2.gz PSFZJORHXRNDIL-ZWEULMAVSA-N 0 0 432.048 5.962 1 0 IKAFRN C[C@]1(C(=O)N2[C@@H]3CCCC[C@@H]3[C@H]3CCCC[C@@H]32)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 ZINC000038153852 563096786 /nfs/dbraw/zinc/09/67/86/563096786.db2.gz QBUILYGRQMFSAV-XRRRJERBSA-N 0 0 435.652 6.362 1 0 IKAFRN Cc1ccc([C@@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)CCc2ccccc2)cc1 ZINC000038210231 563096943 /nfs/dbraw/zinc/09/69/43/563096943.db2.gz VQGQJBNCAQWQGJ-HHHXNRCGSA-N 0 0 428.963 6.237 1 0 IKAFRN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000038254554 563097232 /nfs/dbraw/zinc/09/72/32/563097232.db2.gz HEMYZNPKDXXSKY-UHFFFAOYSA-N 0 0 447.869 6.591 1 0 IKAFRN Cc1cc(-c2cccc3cc[nH]c32)c(Cl)c2c1NC(C)(C)C(=O)[C@@]2(C)Cc1ccccc1 ZINC000038269298 563097325 /nfs/dbraw/zinc/09/73/25/563097325.db2.gz GQEDWCRZISUBTM-NDEPHWFRSA-N 0 0 442.990 7.070 1 0 IKAFRN Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1 ZINC000038347393 563097509 /nfs/dbraw/zinc/09/75/09/563097509.db2.gz JXNMCDLXYWQTIW-UHFFFAOYSA-N 0 0 439.437 5.877 1 0 IKAFRN O=S(=O)(c1cn([C@H]2CCCN(Cc3ccccc3)C2)c2ccccc12)c1ccccc1 ZINC000038428544 563097693 /nfs/dbraw/zinc/09/76/93/563097693.db2.gz FHULGORNODYESR-QFIPXVFZSA-N 0 0 430.573 5.311 1 0 IKAFRN CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]2C[C@H](O)[C@@H](C(C)=O)C[C@@]12C ZINC000038732147 563098154 /nfs/dbraw/zinc/09/81/54/563098154.db2.gz LFQWXFDEALCMPB-ZYOHVDMJSA-N 0 0 432.645 5.553 1 0 IKAFRN C[C@@H]1OC(=O)[C@@H](CCCCCCCCCCCCCCCCCc2ccccc2)[C@@H]1O ZINC000038655172 563098161 /nfs/dbraw/zinc/09/81/61/563098161.db2.gz HAUKPNFAKZOCFZ-DOEKTCAHSA-N 0 0 430.673 7.393 1 0 IKAFRN Cc1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000038799581 563098239 /nfs/dbraw/zinc/09/82/39/563098239.db2.gz JFWCDNMTPZUMAD-UHFFFAOYSA-N 0 0 427.386 5.443 1 0 IKAFRN COc1cc(C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)cc(OC)c1OC ZINC000038840759 563098407 /nfs/dbraw/zinc/09/84/07/563098407.db2.gz WLBDKOHUQMTKLJ-UHFFFAOYSA-N 0 0 441.310 6.153 1 0 IKAFRN CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]2(C)[C@@H]3C(=CC[C@@H]12)C(=O)O[C@H]3O ZINC000039013738 563098724 /nfs/dbraw/zinc/09/87/24/563098724.db2.gz IFIFWVNGVOYPPP-CIRBHXNZSA-N 0 0 444.612 5.016 1 0 IKAFRN COc1ccc(OCCCCCCC(C(=O)C(C)(C)C)C(=O)C(C)(C)C)c(Cl)c1 ZINC000039214256 563098900 /nfs/dbraw/zinc/09/89/00/563098900.db2.gz BTCQMABXLBWCNR-UHFFFAOYSA-N 0 0 425.009 6.525 1 0 IKAFRN COC(=O)[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242681 563098991 /nfs/dbraw/zinc/09/89/91/563098991.db2.gz ASDWEMAWCZRMOH-FQEVSTJZSA-N 0 0 436.813 6.444 1 0 IKAFRN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3ccccc3)s2)cc1 ZINC000040380134 563099627 /nfs/dbraw/zinc/09/96/27/563099627.db2.gz NUIJDFMKWFINJS-DTQAZKPQSA-N 0 0 438.512 5.083 1 0 IKAFRN CC[C@@]12CC[C@](O)(c3ccccc3)C[C@H]1CCc1cc(OCc3cccnc3C)ccc12 ZINC000040380447 563099705 /nfs/dbraw/zinc/09/97/05/563099705.db2.gz QAPGDQZHOLUJSE-MOZWKJSSSA-N 0 0 427.588 6.251 1 0 IKAFRN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000040391262 563099727 /nfs/dbraw/zinc/09/97/27/563099727.db2.gz GOUDZYNYUNMZLL-GOSISDBHSA-N 0 0 439.865 5.014 1 0 IKAFRN CC[C@@]1(c2ccc(COc3cccc(Cl)c3)cc2)Oc2cccnc2-n2cccc2C1=O ZINC000040391044 563099746 /nfs/dbraw/zinc/09/97/46/563099746.db2.gz IOZGSYPNQLLINU-SANMLTNESA-N 0 0 444.918 5.985 1 0 IKAFRN CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(OC)cc(OC)c1 ZINC000040392517 563099915 /nfs/dbraw/zinc/09/99/15/563099915.db2.gz CYINGDDLPAGQQP-UFKXBGGNSA-N 0 0 445.563 6.324 1 0 IKAFRN CC(C)CC(=O)Nc1ccc(Cl)c(-c2ccnc3c(C(=O)c4cccs4)cnn32)c1 ZINC000040392609 563099917 /nfs/dbraw/zinc/09/99/17/563099917.db2.gz IZFYWSGVNVZWGL-UHFFFAOYSA-N 0 0 438.940 5.327 1 0 IKAFRN CC(C)(C)c1ccc(Oc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc32)cc1 ZINC000040392736 563100061 /nfs/dbraw/zinc/10/00/61/563100061.db2.gz RTYAHHFFFRRSDU-UHFFFAOYSA-N 0 0 445.375 7.227 1 0 IKAFRN O=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000040393413 563100238 /nfs/dbraw/zinc/10/02/38/563100238.db2.gz JGTLLIWNPIIIFD-UHFFFAOYSA-N 0 0 439.540 5.552 1 0 IKAFRN COC1=C(C)C(=O)O/C1=C\[C@H](C)CCC/C(C)=C/CC/C(C)=C/CCC1=C[C@@H](O)OC1=O ZINC000040394248 563100357 /nfs/dbraw/zinc/10/03/57/563100357.db2.gz YFUGMUILKDDXKV-YYXGSRNYSA-N 0 0 444.568 5.409 1 0 IKAFRN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2ncnc(Nc3ccc(F)cc3)c2c1 ZINC000040394532 563100460 /nfs/dbraw/zinc/10/04/60/563100460.db2.gz WUCYNWGWSVDILO-UHFFFAOYSA-N 0 0 442.281 6.463 1 0 IKAFRN O=C1C[C@H](C(F)(F)F)Cc2nc3ccc(Br)cc3c(-c3ccccc3F)c21 ZINC000040394825 563100548 /nfs/dbraw/zinc/10/05/48/563100548.db2.gz UURHTAMPZQOKHY-SNVBAGLBSA-N 0 0 438.218 6.111 1 0 IKAFRN COc1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000040394872 563100632 /nfs/dbraw/zinc/10/06/32/563100632.db2.gz JSMOMDVBSOQGAN-UHFFFAOYSA-N 0 0 438.358 6.972 1 0 IKAFRN Cc1cc(NC(=O)c2cccc(Cl)c2)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2n1 ZINC000040395264 563100753 /nfs/dbraw/zinc/10/07/53/563100753.db2.gz NEXQDONXMVOZLL-UHFFFAOYSA-N 0 0 448.885 6.232 1 0 IKAFRN CC(C)=C/C=C\[C@@H](C)[C@]1(C)CC=C2[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]21C ZINC000040401657 563100918 /nfs/dbraw/zinc/10/09/18/563100918.db2.gz AAAKMEGSCBCTHX-OUWACTBKSA-N 0 0 440.712 7.226 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cc(OC)ccc1OC ZINC000040402927 563100981 /nfs/dbraw/zinc/10/09/81/563100981.db2.gz XQBDIMHUECOUFT-NRFANRHFSA-N 0 0 446.591 6.389 1 0 IKAFRN Cc1ccc(-c2ccc(-c3n[nH]cc3C=C3SC(=N)N(c4nccs4)C3=O)cc2)cc1 ZINC000040407164 563101414 /nfs/dbraw/zinc/10/14/14/563101414.db2.gz FEDSSSLRRUCXDE-PNVGRYOSSA-N 0 0 443.557 5.564 1 0 IKAFRN COc1ccccc1N1CCN(CCCSc2nc3cc(Cl)ccc3s2)CC1 ZINC000040408305 563101483 /nfs/dbraw/zinc/10/14/83/563101483.db2.gz QWGNWUSAOLOYIA-UHFFFAOYSA-N 0 0 434.030 5.263 1 0 in-vitro IKAFRN CC(C)(C)OC(=O)N(Cc1ccc(O)c2ncccc12)Cc1ccccc1C(F)(F)F ZINC000040408241 563101533 /nfs/dbraw/zinc/10/15/33/563101533.db2.gz QYDMZJKDLXNFNY-UHFFFAOYSA-N 0 0 432.442 5.897 1 0 IKAFRN CSc1nc(-c2ccnc(NCCc3cc(C)ccc3C)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000040409687 563101573 /nfs/dbraw/zinc/10/15/73/563101573.db2.gz MIYJKVFFUICQPF-UHFFFAOYSA-N 0 0 432.568 6.271 1 0 IKAFRN CSc1nc(-c2ccnc(NCc3ccco3)c2)c(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000040409683 563101578 /nfs/dbraw/zinc/10/15/78/563101578.db2.gz JURPACTVXHEKKU-UHFFFAOYSA-N 0 0 430.455 6.085 1 0 IKAFRN O=C(N1CCC2(CC1)CC(=O)c1ccccc1O2)N1c2ccccc2Oc2ccccc21 ZINC000040410854 563101671 /nfs/dbraw/zinc/10/16/71/563101671.db2.gz DFRGEXXOKNKZFZ-UHFFFAOYSA-N 0 0 426.472 5.550 1 0 IKAFRN CN1Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C[C@H]1C[NH+](C)C ZINC000040411738 563101820 /nfs/dbraw/zinc/10/18/20/563101820.db2.gz JORCHRMBCDTLBP-JOCHJYFZSA-N 0 0 445.607 5.430 1 0 IKAFRN CN1c2ccccc2[C@]2(C1=O)N(C1CCCCC1)C(=O)C2(c1ccccc1)c1ccccc1 ZINC000040412563 563101901 /nfs/dbraw/zinc/10/19/01/563101901.db2.gz RGEPAQVKKISARW-GDLZYMKVSA-N 0 0 436.555 5.020 1 0 IKAFRN COc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2CC(=O)N(C)c2ccccc2)cc1 ZINC000040420571 563102108 /nfs/dbraw/zinc/10/21/08/563102108.db2.gz QJCLUBBQLHBLOP-UHFFFAOYSA-N 0 0 440.330 5.522 1 0 IKAFRN O=C(Nc1ncc(CCNc2ncnc3ccsc32)s1)Nc1ccc(F)c(Cl)c1 ZINC000040421479 563102192 /nfs/dbraw/zinc/10/21/92/563102192.db2.gz VWQOMDPIYKNCFJ-UHFFFAOYSA-N 0 0 448.936 5.239 1 0 IKAFRN Cc1ccccc1[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCC2CCCCC2)CC1 ZINC000040421203 563102196 /nfs/dbraw/zinc/10/21/96/563102196.db2.gz LTCYWRLZUYNAQC-RUZDIDTESA-N 0 0 440.031 5.645 1 0 IKAFRN Cc1c(C(=O)N[C@@H](C)COc2ccccc2)cnc2c(-c3ccc(C(C)C)cc3)cnn21 ZINC000040421664 563102296 /nfs/dbraw/zinc/10/22/96/563102296.db2.gz DJSWNINDPRRCLC-SFHVURJKSA-N 0 0 428.536 5.025 1 0 IKAFRN COc1ccc(-c2ccc(-c3nn4c(Cc5ccc(SC)cc5)nnc4s3)o2)cc1 ZINC000040421896 563102355 /nfs/dbraw/zinc/10/23/55/563102355.db2.gz QZVCNRYPNRGKGJ-UHFFFAOYSA-N 0 0 434.546 5.434 1 0 IKAFRN O=C1COC(c2ccccc2)(c2ccccc2)c2cc(-c3ccc(F)c(Cl)c3)ccc2N1 ZINC000040424037 563102885 /nfs/dbraw/zinc/10/28/85/563102885.db2.gz BTSKDVZNCCXZEP-UHFFFAOYSA-N 0 0 443.905 6.407 1 0 IKAFRN CC[C@H](c1ccc(O)cc1Br)[C@H](CC)c1ccc(O)cc1Br ZINC000040466316 563103910 /nfs/dbraw/zinc/10/39/10/563103910.db2.gz BWPZNGUCESKSRI-KBPBESRZSA-N 0 0 428.164 6.310 1 0 IKAFRN CCOC(=O)[C@H](C(C)C)N1C(=O)[C@@H](C)S[C@@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000040475137 563103934 /nfs/dbraw/zinc/10/39/34/563103934.db2.gz ZZHAMFBGKAHKHC-CFJRQAHESA-N 0 0 438.593 5.365 1 0 IKAFRN COc1ccc(C(=O)c2cc3c(o2)C[C@@H]2CC[C@@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)cc1 ZINC000040492002 563104093 /nfs/dbraw/zinc/10/40/93/563104093.db2.gz HUCWMWUBZIAUCC-VCHQPNRASA-N 0 0 448.603 5.838 1 0 IKAFRN Cc1ccccc1NC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000040554488 563104492 /nfs/dbraw/zinc/10/44/92/563104492.db2.gz ODLNQTRNCUEWGN-QHCPKHFHSA-N 0 0 448.954 5.771 1 0 IKAFRN CC[NH+](CC)[C@H](C)[C@@H](c1ccc2cc(OCC3(C(=O)[O-])CCCC3)ccc2c1)n1ccnc1 ZINC000040563756 563104578 /nfs/dbraw/zinc/10/45/78/563104578.db2.gz OWYKGJWNYSCISK-NLFFAJNJSA-N 0 0 449.595 5.380 1 0 IKAFRN COc1cc(OC)c(OC)cc1CCCCCCCCCCCCCCCCCCO ZINC000040556763 563104604 /nfs/dbraw/zinc/10/46/04/563104604.db2.gz VOGXHAMABOKVTE-UHFFFAOYSA-N 0 0 436.677 7.489 1 0 IKAFRN CC(C)[N@H+](C)[C@H](C)[C@@H](c1ccc2cc(OCC3(C(=O)[O-])CCCC3)ccc2c1)n1ccnc1 ZINC000040564282 563104678 /nfs/dbraw/zinc/10/46/78/563104678.db2.gz MYLJXYCXVOMQPS-NLFFAJNJSA-N 0 0 449.595 5.378 1 0 IKAFRN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2[nH]c(NC3CC3)nc2c1 ZINC000040568497 563105210 /nfs/dbraw/zinc/10/52/10/563105210.db2.gz IZFIBMWWSGZPCL-UHFFFAOYSA-N 0 0 433.924 5.218 1 0 IKAFRN C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=CCO)[C@H](O)C3)CCC[C@@]21C ZINC000040585224 563105441 /nfs/dbraw/zinc/10/54/41/563105441.db2.gz YNIUCOAOVZEMHY-SLZMQRRESA-N 0 0 446.672 5.067 1 0 IKAFRN O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CNc1ccc(C(F)(F)F)cc1 ZINC000040585010 563105464 /nfs/dbraw/zinc/10/54/64/563105464.db2.gz WKKIOKWFNZYJJO-OAQYLSRUSA-N 0 0 443.465 5.373 1 0 IKAFRN O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CNc1ccc(C(F)(F)F)cc1 ZINC000040585012 563105476 /nfs/dbraw/zinc/10/54/76/563105476.db2.gz WKKIOKWFNZYJJO-NRFANRHFSA-N 0 0 443.465 5.373 1 0 IKAFRN C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(C)C[C@@H](O)C(C)(C)C[C@@H]4[C@]3(C)CC[C@@]21C ZINC000040587758 563105551 /nfs/dbraw/zinc/10/55/51/563105551.db2.gz VLNRAGRUEHHINT-VNSZCDLFSA-N 0 0 442.728 7.428 1 0 IKAFRN COc1ccc(N2C(=O)O[C@H](COC(=O)C3CCCCC3)[C@H]2CC2CCCCC2)cc1 ZINC000040617118 563105634 /nfs/dbraw/zinc/10/56/34/563105634.db2.gz BLGREAURPYMWJL-DHIUTWEWSA-N 0 0 429.557 5.483 1 0 IKAFRN O=c1cc(-c2cccc(-c3ccc4oc(-c5ccccc5)cc(=O)c4c3)c2)oc2ccccc12 ZINC000040763477 563106495 /nfs/dbraw/zinc/10/64/95/563106495.db2.gz ATBFVHXRFRVXOQ-UHFFFAOYSA-N 0 0 442.470 6.900 1 0 in-vivo IKAFRN O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@H]2CCCC[C@@H]2C2CCCCC2)C1 ZINC000040764256 563106567 /nfs/dbraw/zinc/10/65/67/563106567.db2.gz MVXAERLLYLQVDR-IEUSDUHPSA-N 0 0 444.619 6.280 1 0 IKAFRN O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@@H]2CCCC[C@@H]2C2CCCCC2)C1 ZINC000040764254 563106592 /nfs/dbraw/zinc/10/65/92/563106592.db2.gz MVXAERLLYLQVDR-ZRJLEYOISA-N 0 0 444.619 6.280 1 0 IKAFRN CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@H]2CC=C3CO[C@@H](O)[C@@H]3[C@@]12C ZINC000040791364 563106779 /nfs/dbraw/zinc/10/67/79/563106779.db2.gz IDZDIJBVDDHIIM-UZSWJJIESA-N 0 0 430.629 5.488 1 0 IKAFRN CCCCC[S@@](=O)[C@@]1(Cl)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000040802593 563106905 /nfs/dbraw/zinc/10/69/05/563106905.db2.gz WHBHPQMLBXKXAL-CHTUYMHXSA-N 0 0 437.045 5.347 1 0 IKAFRN Clc1cc(Cl)c(Cl)c(-c2nnc3sc(-c4cccc5ncccc54)nn32)c1 ZINC000040834888 563107191 /nfs/dbraw/zinc/10/71/91/563107191.db2.gz QYYNPUZEUKYEBE-UHFFFAOYSA-N 0 0 432.723 6.028 1 0 IKAFRN CC(=O)Oc1ccccc1C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=CCCCC1(C)C ZINC000040847095 563107596 /nfs/dbraw/zinc/10/75/96/563107596.db2.gz GHDILACTWZHSDP-LIIJMUGKSA-N 0 0 434.576 6.910 1 0 IKAFRN O=S1(=O)Oc2ccccc2N=C2C1=CC=CN2CCc1ccc(-c2ccccc2)cc1 ZINC000040848412 563107782 /nfs/dbraw/zinc/10/77/82/563107782.db2.gz PYVNIHCRYXVBOY-UHFFFAOYSA-N 0 0 428.513 5.062 1 0 IKAFRN CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 ZINC000040848220 563107788 /nfs/dbraw/zinc/10/77/88/563107788.db2.gz GXSNTASJGADFMU-HXUWFJFHSA-N 0 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O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c1 ZINC000043015178 563116880 /nfs/dbraw/zinc/11/68/80/563116880.db2.gz XNMPZLAFBSFWMY-UHFFFAOYSA-N 0 0 438.918 7.194 1 0 IKAFRN CC1(C)C=Cc2c(I)cc3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000043017655 563116929 /nfs/dbraw/zinc/11/69/29/563116929.db2.gz IJJBULKYHVPJDL-UHFFFAOYSA-N 0 0 430.241 5.249 1 0 IKAFRN COc1ccccc1Oc1cc2nc(-c3ccccn3)[nH]c2cc1[C@H]1CCCN1C(C)=O ZINC000043019164 563117025 /nfs/dbraw/zinc/11/70/25/563117025.db2.gz REUAKQCKYDAQFA-OAQYLSRUSA-N 0 0 428.492 5.109 1 0 IKAFRN Cc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn12 ZINC000043062956 563117725 /nfs/dbraw/zinc/11/77/25/563117725.db2.gz YTHMURPQLYPGKV-UHFFFAOYSA-N 0 0 435.449 6.458 1 0 IKAFRN COc1cccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2[C@H]2CCCN2C(C)=O)c1 ZINC000043065527 563117863 /nfs/dbraw/zinc/11/78/63/563117863.db2.gz MUZCVTNDUYLZRF-HSZRJFAPSA-N 0 0 428.492 5.109 1 0 IKAFRN O=C(NC(=O)c1ccccc1OCc1ccccc1)NC1c2ccccc2-c2ccccc21 ZINC000043067538 563117928 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426.597 6.416 1 0 IKAFRN CCCCOCCCN1C(=O)CS[C@H]1c1cnccc1-c1ccc(Br)cc1 ZINC000045339040 563131852 /nfs/dbraw/zinc/13/18/52/563131852.db2.gz PRJRXTKAISFGMX-NRFANRHFSA-N 0 0 449.414 5.292 1 0 IKAFRN NC(=O)c1c(N)c(C(=O)c2cccc(Cl)c2)[nH]c1-c1ccc(Oc2ccccc2)cc1 ZINC000045350222 563132183 /nfs/dbraw/zinc/13/21/83/563132183.db2.gz WYUZVZXKAHEKKE-UHFFFAOYSA-N 0 0 431.879 5.040 1 0 IKAFRN CC(C)c1nnc(-c2ccc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)nn2)s1 ZINC000045349962 563132211 /nfs/dbraw/zinc/13/22/11/563132211.db2.gz GANXLAHHZLYYJL-UHFFFAOYSA-N 0 0 449.502 5.185 1 0 IKAFRN NC(=O)c1ccc2c(ccn2-c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000045353388 563132407 /nfs/dbraw/zinc/13/24/07/563132407.db2.gz IGNHIUQMKCEBJP-UHFFFAOYSA-N 0 0 440.290 5.075 1 0 IKAFRN CC(C)C(=O)Oc1ccc2cc1Oc1ccc(cc1)CC[C@@H](OC(=O)C(C)C)CCCC2 ZINC000045354982 563132530 /nfs/dbraw/zinc/13/25/30/563132530.db2.gz HEZRDQRYEWBBRD-QFIPXVFZSA-N 0 0 438.564 6.267 1 0 IKAFRN COc1ccc(-c2c3c(cc4ccc5c(c42)OCO5)C(=O)OC3)cc1OCc1ccccc1 ZINC000045364160 563132878 /nfs/dbraw/zinc/13/28/78/563132878.db2.gz PMWYEDUJNFFDJR-UHFFFAOYSA-N 0 0 440.451 5.494 1 0 IKAFRN COc1ccc(-c2c3c(cc4ccc5c(c42)OCO5)COC3)cc1OCc1ccccc1 ZINC000045364642 563133003 /nfs/dbraw/zinc/13/30/03/563133003.db2.gz UAPMSRIDXPVOIU-UHFFFAOYSA-N 0 0 426.468 5.853 1 0 IKAFRN NC(=O)c1ccc2c(ccn2-c2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2)n1 ZINC000045365867 563133082 /nfs/dbraw/zinc/13/30/82/563133082.db2.gz NFYGXDMSGODLDZ-UHFFFAOYSA-N 0 0 440.290 5.075 1 0 IKAFRN Cc1nc2ccccc2n1C[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000045368567 563133243 /nfs/dbraw/zinc/13/32/43/563133243.db2.gz CKQNYOZESJFGOP-KRWDZBQOSA-N 0 0 439.359 5.664 1 0 IKAFRN CCCCCCC(C)(C)c1cc(NC(=O)NC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 ZINC000045370531 563133341 /nfs/dbraw/zinc/13/33/41/563133341.db2.gz YRIFMORIZIRKHD-NHCUHLMSSA-N 0 0 426.645 7.297 1 0 IKAFRN CC[C@H](c1nc2cc(Cl)ccc2c(=O)n1CC)N(CC)C(=O)c1ccc2ccccc2c1 ZINC000045374233 563133606 /nfs/dbraw/zinc/13/36/06/563133606.db2.gz RUUXCYZLGPXBQY-HSZRJFAPSA-N 0 0 447.966 5.836 1 0 IKAFRN CC(=O)Nc1ccc(OC(=O)c2ccc(Cl)cc2Nc2ccnc(C(F)(F)F)c2)cc1 ZINC000045387093 563133914 /nfs/dbraw/zinc/13/39/14/563133914.db2.gz LWJULWMZZHPNGF-UHFFFAOYSA-N 0 0 449.816 5.675 1 0 IKAFRN CC(C)c1nc2c(Cl)cccn2c1-c1cccc(Oc2cccc(S(N)(=O)=O)c2)c1 ZINC000045392689 563134115 /nfs/dbraw/zinc/13/41/15/563134115.db2.gz CBHCJQLRHMPCIO-UHFFFAOYSA-N 0 0 441.940 5.218 1 0 IKAFRN O=C(NC1CCC1)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1 ZINC000045392340 563134154 /nfs/dbraw/zinc/13/41/54/563134154.db2.gz BVGCJYLWSMDDMH-SZNDQCEHSA-N 0 0 437.798 6.273 1 0 IKAFRN CCCCCc1ccc(Nc2noc3c2ccc(Cl)c3C(=O)Nc2cncnc2)cc1 ZINC000045498722 563134723 /nfs/dbraw/zinc/13/47/23/563134723.db2.gz UREWMXOEBIGNEP-UHFFFAOYSA-N 0 0 435.915 6.000 1 0 IKAFRN Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(Cl)cccc12)c1cccc(Cl)c1 ZINC000045506374 563134904 /nfs/dbraw/zinc/13/49/04/563134904.db2.gz DJDKFUHQIIZHKW-UHFFFAOYSA-N 0 0 444.343 5.447 1 0 IKAFRN CCc1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@@H](c5ccc(CC)cc5)O4)cc3)O2)cc1 ZINC000048999185 563135059 /nfs/dbraw/zinc/13/50/59/563135059.db2.gz YFAQTTPVQAVUSI-UIOOFZCWSA-N 0 0 428.488 5.626 1 0 IKAFRN Cc1ccc(NC(=O)Nc2cccc(-c3cn4ccnc4c(NCc4ccncc4)n3)c2)cc1 ZINC000049033514 563135961 /nfs/dbraw/zinc/13/59/61/563135961.db2.gz YTPJVDXBMAVUCE-UHFFFAOYSA-N 0 0 449.518 5.356 1 0 IKAFRN Cc1ccccc1-c1ccc(C(=O)N2CCN(C(=O)c3ccc4cc[nH]c4c3)[C@@H](C)C2)cc1 ZINC000049033879 563136008 /nfs/dbraw/zinc/13/60/08/563136008.db2.gz LADSERODBYZUAW-FQEVSTJZSA-N 0 0 437.543 5.130 1 0 IKAFRN CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)NC(C)(C)C)c3ccccc23)n1 ZINC000049034418 563136120 /nfs/dbraw/zinc/13/61/20/563136120.db2.gz OKKAENUKIYEBBD-UHFFFAOYSA-N 0 0 442.523 5.446 1 0 IKAFRN CCC1(CC)CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1 ZINC000049036547 563136434 /nfs/dbraw/zinc/13/64/34/563136434.db2.gz MXXXNKVWQALSKQ-UHFFFAOYSA-N 0 0 426.343 7.246 1 0 IKAFRN CCCn1nc(C)c2c1ncc(C(=O)NCc1ccc(-c3c(C)noc3C)cc1)c2Cl ZINC000049050966 563136857 /nfs/dbraw/zinc/13/68/57/563136857.db2.gz TXMWILMYEAUNDM-UHFFFAOYSA-N 0 0 437.931 5.005 1 0 IKAFRN O=C(NC1CCCCC1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2F)CC1 ZINC000049051556 563136983 /nfs/dbraw/zinc/13/69/83/563136983.db2.gz NXJUHCGSLXWNDQ-QHCPKHFHSA-N 0 0 429.967 5.228 1 0 in-vitro IKAFRN CCc1c(C(=O)c2ccc(C(F)(F)F)cc2)c(C2CCCC2)nc2c1[C@@H](O)CC(C)(C)C2 ZINC000049053605 563137045 /nfs/dbraw/zinc/13/70/45/563137045.db2.gz IPHVISNFTJFEIE-FQEVSTJZSA-N 0 0 445.525 6.557 1 0 IKAFRN COC(=O)c1cnc(NC(=O)[C@@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)s1 ZINC000049068720 563137606 /nfs/dbraw/zinc/13/76/06/563137606.db2.gz GMIBWKKQKNUQRZ-ZDUSSCGKSA-N 0 0 427.353 5.539 1 0 IKAFRN Clc1cccc(Cl)c1Cc1nnc(Nc2ccc(COCc3cccnc3)cc2)o1 ZINC000049070611 563137720 /nfs/dbraw/zinc/13/77/20/563137720.db2.gz PLLUSIVCMQGSBA-UHFFFAOYSA-N 0 0 441.318 5.823 1 0 IKAFRN Cc1cc(OC[P@]2(=O)OCC[C@H](c3cccnc3C)O2)c2c(c1C)Cc1scnc1-2 ZINC000049089877 563138124 /nfs/dbraw/zinc/13/81/24/563138124.db2.gz WPASHFXVTJYQPC-LBEKAKSKSA-N 0 0 442.477 5.742 1 0 IKAFRN O=C(NC1CCCCC1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049111689 563138219 /nfs/dbraw/zinc/13/82/19/563138219.db2.gz DZTIBAZROYTGNS-HSZRJFAPSA-N 0 0 446.422 5.743 1 0 IKAFRN O=C(NC1CCCCC1)N1CCN([C@H](c2ccccc2)c2c(Cl)cccc2Cl)CC1 ZINC000049111374 563138254 /nfs/dbraw/zinc/13/82/54/563138254.db2.gz FXIHNXHABMIRJH-HSZRJFAPSA-N 0 0 446.422 5.743 1 0 IKAFRN Cc1ccc([C@@H]2CCO[P@](=O)(COc3cc(C)c(C)c4c3-c3ncsc3C4)O2)cn1 ZINC000049113451 563138594 /nfs/dbraw/zinc/13/85/94/563138594.db2.gz XXGHMIJYQJJVNZ-RBSBEOHCSA-N 0 0 442.477 5.742 1 0 IKAFRN Clc1ccccc1[C@H]1ON=C(c2ccc(C3=NO[C@@H](c4ccccc4Cl)O3)cc2)O1 ZINC000049113255 563138597 /nfs/dbraw/zinc/13/85/97/563138597.db2.gz OBEKYLRSYGFRJP-SZPZYZBQSA-N 0 0 441.270 5.808 1 0 IKAFRN CCO[P@@]1(=O)OC(c2ccc(OC)cc2)=C(Br)c2ccc(Cl)cc21 ZINC000049113458 563138601 /nfs/dbraw/zinc/13/86/01/563138601.db2.gz AIBFVEIKCFITGA-XMMPIXPASA-N 0 0 429.634 5.454 1 0 IKAFRN CC[C@@H]1c2c[nH]nc2C[C@H](c2ccc(Cl)cc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000049116124 563138763 /nfs/dbraw/zinc/13/87/63/563138763.db2.gz PUBWZOHDDYWHMC-WOJBJXKFSA-N 0 0 436.364 5.156 1 0 IKAFRN COc1cccc(CCN2Cc3ccc(C(=O)NC(C)C)cc3N=C2c2ccc(C)cc2)c1 ZINC000049710351 563139147 /nfs/dbraw/zinc/13/91/47/563139147.db2.gz WIEXXPBEWCXNCW-UHFFFAOYSA-N 0 0 441.575 5.278 1 0 IKAFRN CCO[P@]1(=O)OC(c2ccccc2)=C(I)c2ccc(Cl)cc21 ZINC000049781446 563139516 /nfs/dbraw/zinc/13/95/16/563139516.db2.gz IQMRIDBYFZOVRF-QFIPXVFZSA-N 0 0 446.608 5.486 1 0 IKAFRN CCO[P@@]1(=O)OC(c2ccccc2)=C(I)c2ccc(Cl)cc21 ZINC000049781447 563139531 /nfs/dbraw/zinc/13/95/31/563139531.db2.gz IQMRIDBYFZOVRF-JOCHJYFZSA-N 0 0 446.608 5.486 1 0 IKAFRN Cc1nnc(-c2cnc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)s2)s1 ZINC000049785609 563139790 /nfs/dbraw/zinc/13/97/90/563139790.db2.gz QMSZVDLJWFWYRD-UHFFFAOYSA-N 0 0 426.489 5.037 1 0 IKAFRN CN(C(=O)NC1CCCCC1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000049792624 563139889 /nfs/dbraw/zinc/13/98/89/563139889.db2.gz UKTQBCNYKMNIHQ-AUWVMFMUSA-N 0 0 443.676 5.193 1 0 IKAFRN C[C@@H]1CC[C@H](OC(=O)c2ccoc2)[C@@]2(C)[C@@H](OC(=O)c3ccoc3)C[C@@H]3C[C@]12OC3(C)C ZINC000049803344 563140053 /nfs/dbraw/zinc/14/00/53/563140053.db2.gz LLWXHZLLARPDFR-PGJQBQEHSA-N 0 0 442.508 5.017 1 0 IKAFRN CC(C)c1ccc(-c2noc(COc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 ZINC000049807996 563140219 /nfs/dbraw/zinc/14/02/19/563140219.db2.gz MEBZTMKUXPQOFN-UHFFFAOYSA-N 0 0 432.907 6.323 1 0 IKAFRN Oc1ccc2oc3ncc(OCc4ccc(Cl)cc4)c(-c4cccc(Cl)c4)c3c2c1 ZINC000049808068 563140223 /nfs/dbraw/zinc/14/02/23/563140223.db2.gz PMUQTNLCALAJEQ-UHFFFAOYSA-N 0 0 436.294 7.239 1 0 IKAFRN COc1ccc(C2(O)CN(CCC=C(c3sccc3C)c3sccc3C)C2)cc1 ZINC000049808345 563140347 /nfs/dbraw/zinc/14/03/47/563140347.db2.gz WZNSFAGBXSAUCC-UHFFFAOYSA-N 0 0 425.619 5.460 1 0 IKAFRN Nc1ccccc1NC(=O)CCCCCCOc1ccc(-c2cc(=S)ss2)cc1 ZINC000049808660 563140397 /nfs/dbraw/zinc/14/03/97/563140397.db2.gz GJPONUFSMYJFDV-UHFFFAOYSA-N 0 0 444.647 6.756 1 0 IKAFRN 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ZINC000058538081 563144121 /nfs/dbraw/zinc/14/41/21/563144121.db2.gz CLSDNTMQFXWGPW-UHFFFAOYSA-N 0 0 427.331 7.207 1 0 IKAFRN FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ccncc4C(F)(F)F)ccc23)nc1 ZINC000058541822 563144320 /nfs/dbraw/zinc/14/43/20/563144320.db2.gz ZCDNRXVTKQTZEV-UHFFFAOYSA-N 0 0 435.331 5.868 1 0 IKAFRN COc1cc(F)ccc1-c1cccc(Cn2cnc3ccc(NC(=O)C(C)(C)C)cc32)c1 ZINC000058576072 563144882 /nfs/dbraw/zinc/14/48/82/563144882.db2.gz HFKPAYACHZPHBN-UHFFFAOYSA-N 0 0 431.511 5.884 1 0 IKAFRN COc1cccc2[nH]cc(C3(c4c[nH]c5cccc(OC)c54)C(=O)Nc4ccc(F)cc43)c21 ZINC000058576532 563144970 /nfs/dbraw/zinc/14/49/70/563144970.db2.gz ZFCYLZIWYMHIES-UHFFFAOYSA-N 0 0 441.462 5.092 1 0 IKAFRN COc1ccc2c(c1)[nH]cc2C1(c2c[nH]c3cc(OC)ccc32)C(=O)Nc2ccc(F)cc21 ZINC000058582178 563145077 /nfs/dbraw/zinc/14/50/77/563145077.db2.gz PFTZPOLZVSSAAB-UHFFFAOYSA-N 0 0 441.462 5.092 1 0 IKAFRN CC(C)(C)C(=O)Nc1ccc2ccn(Cc3cccc(-c4cccc5c4OCO5)c3)c2c1 ZINC000058592126 563145619 /nfs/dbraw/zinc/14/56/19/563145619.db2.gz ZBARPSHFQJVZLO-UHFFFAOYSA-N 0 0 426.516 6.070 1 0 IKAFRN COc1cc(-c2nc3ccccc3c(NCc3ccc(F)c(F)c3)n2)cc(OC)c1OC ZINC000058592068 563145633 /nfs/dbraw/zinc/14/56/33/563145633.db2.gz MCNKLQKVMONEPE-UHFFFAOYSA-N 0 0 437.446 5.213 1 0 IKAFRN CCCOP(=O)(OCCC)[C@H](NC(=S)N[C@H](C)C1CCCCC1)c1ccccc1 ZINC000059130229 563146219 /nfs/dbraw/zinc/14/62/19/563146219.db2.gz LUEJLXPTNNKOCU-NQIIRXRSSA-N 0 0 440.590 6.164 1 0 IKAFRN CC(C)OP(=O)(OC(C)C)[C@H](NC(=S)N[C@H](C)C1CCCCC1)c1ccccc1 ZINC000059130357 563146321 /nfs/dbraw/zinc/14/63/21/563146321.db2.gz SBFLXPXTIZVPFN-NQIIRXRSSA-N 0 0 440.590 6.161 1 0 IKAFRN CC(C)OP(=O)(OC(C)C)[C@H](NC(=S)N[C@@H](C)C1CCCCC1)c1ccccc1 ZINC000059130245 563146349 /nfs/dbraw/zinc/14/63/49/563146349.db2.gz SBFLXPXTIZVPFN-RXVVDRJESA-N 0 0 440.590 6.161 1 0 IKAFRN CCCC1(CCC)C[C@@H](NC(=O)Nc2cccc3cnc(C)cc32)c2cccc(F)c2O1 ZINC000059259620 563146464 /nfs/dbraw/zinc/14/64/64/563146464.db2.gz OJPHAHBZLDUZLU-HSZRJFAPSA-N 0 0 435.543 6.667 1 0 IKAFRN 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/nfs/dbraw/zinc/14/76/79/563147679.db2.gz STCWLFKMSGQUBK-GOSISDBHSA-N 0 0 434.801 5.243 3 0 IKAFRN C[C@@]1(C(=O)NCc2ccc(F)c(F)c2)Cc2c(nccc2-c2cccc(C(F)(F)F)c2)O1 ZINC000061898378 563147693 /nfs/dbraw/zinc/14/76/93/563147693.db2.gz WBAYZKXGMORBGA-QFIPXVFZSA-N 0 0 448.391 5.056 3 0 IKAFRN CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc(C(C)C)cc2)O3)c1 ZINC000061903430 563147941 /nfs/dbraw/zinc/14/79/41/563147941.db2.gz ZPFLSWVPJLXIET-SANMLTNESA-N 0 0 429.520 5.163 3 0 IKAFRN COc1ccc(-c2coc3c2cccc3C(=O)NCc2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000061903788 563147993 /nfs/dbraw/zinc/14/79/93/563147993.db2.gz RWZMJTMCXVOUOA-UHFFFAOYSA-N 0 0 439.433 6.366 3 0 IKAFRN CCc1nc2c(OCc3ccc(Cl)cc3)cccn2c1N(C)C(=O)c1cccs1 ZINC000061905254 563148292 /nfs/dbraw/zinc/14/82/92/563148292.db2.gz LVKYIDOZHAJSMU-UHFFFAOYSA-N 0 0 425.941 5.467 3 0 IKAFRN CCc1nc2ccc(C(=O)N(C)Cc3ccccc3)cn2c1N(C)CCCc1ccccc1 ZINC000061905265 563148293 /nfs/dbraw/zinc/14/82/93/563148293.db2.gz BZBBAPGCSGLIOI-UHFFFAOYSA-N 0 0 440.591 5.238 3 0 IKAFRN COC(=O)c1ccc(C[C@@]2(C)C(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cc32)o1 ZINC000061905669 563148400 /nfs/dbraw/zinc/14/84/00/563148400.db2.gz UKJGQTMYNVGIKG-JOCHJYFZSA-N 0 0 429.394 5.205 3 0 IKAFRN COc1ccccc1CNc1nc2ccsc2c(Nc2cccc(-c3cnco3)c2)n1 ZINC000061905581 563148407 /nfs/dbraw/zinc/14/84/07/563148407.db2.gz JEZCNIZSAYSZJQ-UHFFFAOYSA-N 0 0 429.505 5.711 3 0 IKAFRN COc1ccc(F)cc1-c1cc(NC=O)c2ncc(-c3cccc(C(F)(F)F)c3)n2c1 ZINC000061905995 563148462 /nfs/dbraw/zinc/14/84/62/563148462.db2.gz LSAUULXBQNROCO-UHFFFAOYSA-N 0 0 429.373 5.403 3 0 IKAFRN CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc(C(C)C)cc2)O3)cc1 ZINC000061906365 563148570 /nfs/dbraw/zinc/14/85/70/563148570.db2.gz AVTFLEUCYRKUTH-AREMUKBSSA-N 0 0 429.520 5.163 3 0 IKAFRN C[C@@]1(C(=O)Nc2cccc3ccccc32)CCN1C(=O)Cc1ccc(Cl)cc1Cl ZINC000061908110 563148909 /nfs/dbraw/zinc/14/89/09/563148909.db2.gz OFXURDGOOAATSG-QHCPKHFHSA-N 0 0 427.331 5.319 3 0 IKAFRN CCc1cc(-c2cnnn2Cc2ccc3ccccc3c2)ccc1-c1cn(CC(C)C)nn1 ZINC000061923351 563149549 /nfs/dbraw/zinc/14/95/49/563149549.db2.gz LKIOGUVEPSVRSF-UHFFFAOYSA-N 0 0 436.563 5.624 3 0 IKAFRN COc1cccc(-c2cnc3c(NC=O)cc(-c4ccccc4Oc4ccccc4)cn23)c1 ZINC000061926413 563149883 /nfs/dbraw/zinc/14/98/83/563149883.db2.gz OSIDPCWVSNAIDM-UHFFFAOYSA-N 0 0 435.483 6.038 3 0 IKAFRN CCc1nc2c(OCc3ccc(Cl)cc3)cccn2c1N(C)C(=O)c1ccc(C)cc1 ZINC000061927228 563150107 /nfs/dbraw/zinc/15/01/07/563150107.db2.gz MQUMIWNWAFNQIB-UHFFFAOYSA-N 0 0 433.939 5.714 3 0 IKAFRN COc1cccc(CNc2nc3cc(-c4cccc(C(F)(F)F)c4)sc3c(=O)n2C)c1 ZINC000061927121 563150121 /nfs/dbraw/zinc/15/01/21/563150121.db2.gz WYWQOONNNSMKGA-UHFFFAOYSA-N 0 0 445.466 5.302 3 0 IKAFRN c1c(-c2cccc(OCc3ccccc3)c2)nn2ccc(NCCOc3ccccc3)nc12 ZINC000061927717 563150190 /nfs/dbraw/zinc/15/01/90/563150190.db2.gz XXXJXMOFKYZPSR-UHFFFAOYSA-N 0 0 436.515 5.466 3 0 IKAFRN N[C@H](COCc1ccccc1)c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000061928685 563150373 /nfs/dbraw/zinc/15/03/73/563150373.db2.gz VYEHYGFLSBWERM-MRXNPFEDSA-N 0 0 436.459 5.023 3 0 IKAFRN COCCNc1nc2cc(-c3ccccc3)sc2c(Oc2cccc(NC(C)=O)c2)n1 ZINC000061929476 563150507 /nfs/dbraw/zinc/15/05/07/563150507.db2.gz MGCKKOGBMSKLFI-UHFFFAOYSA-N 0 0 434.521 5.167 3 0 IKAFRN CN(C)c1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2cccc(C(F)(F)F)c2)O3)cc1 ZINC000061929878 563150622 /nfs/dbraw/zinc/15/06/22/563150622.db2.gz PXAADPAIKGOQRJ-QHCPKHFHSA-N 0 0 441.453 5.166 3 0 IKAFRN CC(C)[C@H]1COCCS(=O)(=O)N1Cc1ccccc1-c1cccc2c3ccccc3oc21 ZINC000061943360 563150959 /nfs/dbraw/zinc/15/09/59/563150959.db2.gz XCOMYWJVQWNWTB-XMMPIXPASA-N 0 0 449.572 5.440 3 0 IKAFRN CON(C)C(=O)C[C@@H](CN(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccc(Cl)cc1 ZINC000061948190 563151559 /nfs/dbraw/zinc/15/15/59/563151559.db2.gz XXKBFOAMRLTPJL-FQEVSTJZSA-N 0 0 446.975 5.271 3 0 IKAFRN COc1cccc(-c2sc3ccccc3c2-c2ccc(OCCN3CCOCC3)cc2)c1 ZINC000061947946 563151564 /nfs/dbraw/zinc/15/15/64/563151564.db2.gz KOVIKBQUWRXSED-UHFFFAOYSA-N 0 0 445.584 5.955 3 0 IKAFRN COc1cc(-c2nnc(-c3ccccc3COc3ccccc3C)o2)cc(OC)c1OC ZINC000064447008 563153149 /nfs/dbraw/zinc/15/31/49/563153149.db2.gz KEAJPYMVAICCDZ-UHFFFAOYSA-N 0 0 432.476 5.317 1 0 IKAFRN c1c2ccccc2oc1-c1nn(-c2ccccc2)cc1[C@@H]1CC(c2cc3ccccc3o2)=NO1 ZINC000064453826 563153602 /nfs/dbraw/zinc/15/36/02/563153602.db2.gz DSVIGYUKGLTDCE-VWLOTQADSA-N 0 0 445.478 6.897 1 0 IKAFRN CCOC(=O)N=c1[nH]c(C)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1 ZINC000064475299 563153685 /nfs/dbraw/zinc/15/36/85/563153685.db2.gz XPXJVVOSWOEDEI-UHFFFAOYSA-N 0 0 440.912 5.039 1 0 IKAFRN O=C1C=C(OCc2ccccc2Br)C=C2OC(c3ccccc3)C(=O)C(O)=C12 ZINC000064539257 563154972 /nfs/dbraw/zinc/15/49/72/563154972.db2.gz XPTUQFPPCQIXOG-UHFFFAOYSA-N 0 0 439.261 5.213 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(CNc1cccc2ncccc21)C(F)(F)F ZINC000064539896 563155170 /nfs/dbraw/zinc/15/51/70/563155170.db2.gz BDZYLNZLEGRWAZ-QFIPXVFZSA-N 0 0 436.449 5.456 1 0 IKAFRN O=C1c2cc(OCc3cccc(F)c3)ccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000064540719 563155318 /nfs/dbraw/zinc/15/53/18/563155318.db2.gz NOFHOAUHCXTLFZ-UHFFFAOYSA-N 0 0 437.470 5.801 1 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563156415 /nfs/dbraw/zinc/15/64/15/563156415.db2.gz IOTKLCGTBAFZNV-RUZDIDTESA-N 0 0 439.467 5.292 1 0 IKAFRN CCCOc1cc2c(cc1OCCC)C(/C=C\c1ccc(Cl)cc1Cl)=N[C@H](C)C2 ZINC000064585612 563156487 /nfs/dbraw/zinc/15/64/87/563156487.db2.gz LBVBSRCQFIPYSS-DZFYGRHCSA-N 0 0 432.391 7.018 1 0 IKAFRN Clc1cc(Cl)nc(N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc3c(c2)OCO3)n1 ZINC000064637982 563156561 /nfs/dbraw/zinc/15/65/61/563156561.db2.gz BTROPBUITBKPQC-NRFANRHFSA-N 0 0 439.302 5.146 1 0 IKAFRN CC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NCc1ccc(O)c(OC)c1 ZINC000066066418 563157096 /nfs/dbraw/zinc/15/70/96/563157096.db2.gz GSDDOHZIZFGQAY-ROGUSISBSA-N 0 0 449.635 7.105 1 0 IKAFRN COC1(c2cccc(COc3ccc(Cl)cc3OCc3ccccc3)c2)CCOCC1 ZINC000066066374 563157111 /nfs/dbraw/zinc/15/71/11/563157111.db2.gz KMKLLICJOBGWGD-UHFFFAOYSA-N 0 0 438.951 6.150 1 0 IKAFRN C[S@@](=O)c1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1(c2ccccc2)CCC1 ZINC000066073885 563157282 /nfs/dbraw/zinc/15/72/82/563157282.db2.gz ONXNFDGTHVRGDB-YTTGMZPUSA-N 0 0 440.568 5.448 1 0 IKAFRN COc1ccc([C@@H]2CC(c3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)=NO2)cc1 ZINC000066073998 563157283 /nfs/dbraw/zinc/15/72/83/563157283.db2.gz HFIPEEBYEWGBEK-DEOSSOPVSA-N 0 0 436.433 6.524 1 0 IKAFRN CC[C@H](NC(=O)c1c2cccc(C)c2nc(-c2ccccc2)c1[S@@](C)=O)c1ccccc1 ZINC000066073929 563157287 /nfs/dbraw/zinc/15/72/87/563157287.db2.gz HKSOZNAIPYOXQZ-ICACTRECSA-N 0 0 442.584 5.829 1 0 IKAFRN CC[C@H](NC(=O)c1c2cccc(C)c2nc(-c2ccccc2)c1[S@](C)=O)c1ccccc1 ZINC000066073928 563157310 /nfs/dbraw/zinc/15/73/10/563157310.db2.gz HKSOZNAIPYOXQZ-GHRAFVERSA-N 0 0 442.584 5.829 1 0 IKAFRN CC(C)(C)C(=O)O[C@@H]1CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1 ZINC000066075550 563157359 /nfs/dbraw/zinc/15/73/59/563157359.db2.gz DHHKSLVEYZZKCA-FQEVSTJZSA-N 0 0 430.426 5.689 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccc(F)cc2)c1[S@](C)=O)c1ccccc1 ZINC000066097995 563158020 /nfs/dbraw/zinc/15/80/20/563158020.db2.gz IOYHGYBXRSVPKS-GFJKYASSSA-N 0 0 446.547 5.659 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2cccs2)c1[S@](C)=O)c1ccccc1 ZINC000066097998 563158027 /nfs/dbraw/zinc/15/80/27/563158027.db2.gz VATQOVACVWBCQL-YVGXBJCXSA-N 0 0 434.586 5.582 1 0 IKAFRN COCC[NH2+][C@@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099520 563158091 /nfs/dbraw/zinc/15/80/91/563158091.db2.gz GAROGPGIPWJBPB-FQEVSTJZSA-N 0 0 448.563 5.051 1 0 IKAFRN FC(F)(F)c1cc(-c2ccccc2Cl)cc2[nH]c(C3=NOC4(C3)CCCCC4)nc21 ZINC000066099655 563158127 /nfs/dbraw/zinc/15/81/27/563158127.db2.gz RFGUIBKXEBMLGQ-UHFFFAOYSA-N 0 0 433.861 6.729 1 0 IKAFRN CC(C)(C)N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3c(Cl)cccc3Cl)N2C1=O ZINC000066101866 563158349 /nfs/dbraw/zinc/15/83/49/563158349.db2.gz PMUQVSMCRAWSAK-YLJYHZDGSA-N 0 0 442.346 5.552 1 0 IKAFRN COc1cc(-c2onc3c2CCCN3[C@@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000066101768 563158415 /nfs/dbraw/zinc/15/84/15/563158415.db2.gz YYENUAICFAPOED-KRWDZBQOSA-N 0 0 432.499 5.497 1 0 IKAFRN NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(Cl)cc3)cc2)cc1 ZINC000066103155 563158570 /nfs/dbraw/zinc/15/85/70/563158570.db2.gz LQFZLIUXPKOECP-UHFFFAOYSA-N 0 0 441.840 5.977 1 0 IKAFRN C[C@@]12CC[C@H]([C@]3(C)CC=CC(C)(C)O3)[C@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000066104535 563158647 /nfs/dbraw/zinc/15/86/47/563158647.db2.gz WVWUAJRNIVNQJF-MRULXVATSA-N 0 0 440.712 7.754 1 0 in-vitro IKAFRN Cc1ccc(Cc2ccc3sc(-c4ccc(C[NH+]5CC(C(=O)[O-])C5)cc4F)nc3c2)cc1 ZINC000066105050 563158741 /nfs/dbraw/zinc/15/87/41/563158741.db2.gz DVOGTSKLZICFMB-UHFFFAOYSA-N 0 0 446.547 5.518 1 0 IKAFRN COc1ccc2cc(C(=O)C3CCC([C@H](C)C(=O)NCCC4=CCCCC4)CC3)[nH]c2c1 ZINC000066111547 563158850 /nfs/dbraw/zinc/15/88/50/563158850.db2.gz APKFNJSACZKTLX-PELRDEGISA-N 0 0 436.596 5.808 1 0 IKAFRN O=C(Nc1cccnc1)N1CC[C@H](Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)C1 ZINC000066112043 563158918 /nfs/dbraw/zinc/15/89/18/563158918.db2.gz ZEMGUJMXQMXESE-QGZVFWFLSA-N 0 0 442.441 5.384 1 0 IKAFRN CC(C)(C)N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(Cl)c(Cl)c3)N2C1=O ZINC000066112477 563158992 /nfs/dbraw/zinc/15/89/92/563158992.db2.gz MBKPBFCCOYUWQK-QUCCMNQESA-N 0 0 442.346 5.552 1 0 IKAFRN CC(C)(C)N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)cc3Cl)N2C1=O ZINC000066113035 563159086 /nfs/dbraw/zinc/15/90/86/563159086.db2.gz QWVBWSABLKPVJO-AZUAARDMSA-N 0 0 442.346 5.552 1 0 IKAFRN CCC(CC)(NC(=O)c1cnn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(OC)cc1 ZINC000066114122 563159179 /nfs/dbraw/zinc/15/91/79/563159179.db2.gz LCKSNKOBGHCPJH-HSZRJFAPSA-N 0 0 446.595 5.629 1 0 IKAFRN CC[C@]1(c2ccc(CSc3cccc(F)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123181 563159361 /nfs/dbraw/zinc/15/93/61/563159361.db2.gz CSDRDVVNWWLQRC-HHHXNRCGSA-N 0 0 443.543 6.789 1 0 IKAFRN CC1=CC[C@@H](COc2ccccc2)O[C@@]2(C1)c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000066136661 563159501 /nfs/dbraw/zinc/15/95/01/563159501.db2.gz ZQIJUFOQOUADII-CUBQBAPOSA-N 0 0 443.518 5.772 1 0 IKAFRN Cc1ccsc1CN(C)c1ncnc2ccc(-c3ccc(COC(=O)N(C)C)o3)cc21 ZINC000066166796 563159782 /nfs/dbraw/zinc/15/97/82/563159782.db2.gz FUSFZVIUZGFKAY-UHFFFAOYSA-N 0 0 436.537 5.094 1 0 IKAFRN O=c1c2ccccc2nc(Nc2nnc(-c3ccc(Cl)cc3)s2)n1-c1ccccc1 ZINC000066251230 563159853 /nfs/dbraw/zinc/15/98/53/563159853.db2.gz AFJZFVZJLJSENG-UHFFFAOYSA-N 0 0 431.908 5.301 1 0 IKAFRN COc1ccccc1NC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000066251518 563159934 /nfs/dbraw/zinc/15/99/34/563159934.db2.gz ILGRAJKRIVZWIH-UHFFFAOYSA-N 0 0 437.421 6.258 1 0 IKAFRN O[C@@H](c1ccc(OCc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1)C1CC1 ZINC000066258354 563160267 /nfs/dbraw/zinc/16/02/67/563160267.db2.gz PJCBQWKLSMUBHK-XMMPIXPASA-N 0 0 429.343 6.595 1 0 IKAFRN O=C(NC1CCCCC1)[C@H](c1ccncc1)n1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000066258463 563160304 /nfs/dbraw/zinc/16/03/04/563160304.db2.gz ASRJHSMONZVNTD-DEOSSOPVSA-N 0 0 444.966 5.790 1 0 IKAFRN CCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C ZINC000066259435 563160484 /nfs/dbraw/zinc/16/04/84/563160484.db2.gz CMHCZVLVBJHYLV-UHFFFAOYSA-N 0 0 433.383 5.815 1 0 IKAFRN CCCCCC[C@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C ZINC000066259942 563160671 /nfs/dbraw/zinc/16/06/71/563160671.db2.gz DOQRGXMYBKLLBR-INIZCTEOSA-N 0 0 447.410 6.367 1 0 IKAFRN COc1cc(C(=O)c2sc3cc(C)ccc3c2Nc2ccc(C)cc2)cc(OC)c1OC ZINC000066263254 563160921 /nfs/dbraw/zinc/16/09/21/563160921.db2.gz ARTQKLQGPGEBJM-UHFFFAOYSA-N 0 0 447.556 6.519 1 0 IKAFRN CCCCCn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)cc1-c1ccccc1 ZINC000066263973 563160989 /nfs/dbraw/zinc/16/09/89/563160989.db2.gz OYOAATKQFOAFCN-UHFFFAOYSA-N 0 0 428.454 5.977 1 0 IKAFRN CCOc1ccc2c(c1)c1c(n2CCF)-c2ccccc2S[C@H]1C(=O)N(CC)CC ZINC000068208446 563161368 /nfs/dbraw/zinc/16/13/68/563161368.db2.gz GNESCJGWXGGGMS-HSZRJFAPSA-N 0 0 426.557 5.692 1 0 IKAFRN COCCN(C)Cc1csc(-c2cn(CC3CCCCC3)c3c2cccc3Cl)n1 ZINC000071281180 563161451 /nfs/dbraw/zinc/16/14/51/563161451.db2.gz IBROVSZFQOOXTQ-UHFFFAOYSA-N 0 0 432.033 6.077 1 0 IKAFRN Cn1c(-c2ccc(NC(=O)c3cccs3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 ZINC000071329913 563162322 /nfs/dbraw/zinc/16/23/22/563162322.db2.gz VHQQNMOPJCVPFS-UHFFFAOYSA-N 0 0 448.979 5.919 1 0 IKAFRN O=c1c2ccccc2oc(-c2ccccc2)c1-c1c(=O)c2ccccc2oc1-c1ccccc1 ZINC000071333995 563162575 /nfs/dbraw/zinc/16/25/75/563162575.db2.gz UFJORDZSBNSRQT-UHFFFAOYSA-N 0 0 442.470 6.900 1 0 IKAFRN CCOc1ccc2oc(C(=O)N[C@H](c3cccs3)c3nc4ccccc4[nH]3)c(C)c2c1 ZINC000071341961 563162655 /nfs/dbraw/zinc/16/26/55/563162655.db2.gz KJJHTEVURQVIIU-OAQYLSRUSA-N 0 0 431.517 5.597 1 0 IKAFRN Cc1ccc(CN2[C@H](C)[C@H](c3ccccc3)Oc3c(Cl)cccc3S2(=O)=O)cc1 ZINC000072104370 563162856 /nfs/dbraw/zinc/16/28/56/563162856.db2.gz YRFOTINEDXBDAF-VGOFRKELSA-N 0 0 427.953 5.362 1 0 IKAFRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Nc1ccccc1C(C)C ZINC000072106441 563163095 /nfs/dbraw/zinc/16/30/95/563163095.db2.gz UNLAVYVDNNBOJF-YNUSHXQLSA-N 0 0 445.691 9.226 1 0 IKAFRN O=C(NCc1cccnc1)c1ccc(N(Cc2ccccc2)Cc2ccccc2Cl)cc1 ZINC000072108697 563163151 /nfs/dbraw/zinc/16/31/51/563163151.db2.gz ZACVJELTGRPOKX-UHFFFAOYSA-N 0 0 441.962 5.872 1 0 IKAFRN CN(c1ccccc1)c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2ccccc2)cs1 ZINC000072108468 563163156 /nfs/dbraw/zinc/16/31/56/563163156.db2.gz NIRKFTGOGAJIHB-UHFFFAOYSA-N 0 0 425.517 5.558 1 0 IKAFRN COc1cccc(CNc2nc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c[nH]2)c1 ZINC000072112340 563163407 /nfs/dbraw/zinc/16/34/07/563163407.db2.gz CNQNCTWLIOVECY-UHFFFAOYSA-N 0 0 431.539 7.031 1 0 IKAFRN CCCCOC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 ZINC000072118124 563163697 /nfs/dbraw/zinc/16/36/97/563163697.db2.gz PRMYIDMFDBPNTK-AREMUKBSSA-N 0 0 441.575 6.739 1 0 IKAFRN C[C@@H](c1ccc(-c2ccc(F)cc2)cc1)N1CC[C@](CCCO)(c2ccccc2)OC1=O ZINC000072118038 563163751 /nfs/dbraw/zinc/16/37/51/563163751.db2.gz NRQVLVGDMUNLPF-CCLHPLFOSA-N 0 0 433.523 6.064 1 0 IKAFRN O=C1COc2ccc(-c3[nH]c(-c4ccc(C(F)(F)F)cc4)nc3-c3ccccc3)cc2N1 ZINC000072119915 563163809 /nfs/dbraw/zinc/16/38/09/563163809.db2.gz WSQCANDRFBXMIV-UHFFFAOYSA-N 0 0 435.405 5.760 1 0 IKAFRN Cc1cc(Cl)cc(C)c1Oc1nn(Nc2ccc(Cl)cc2)c(=O)c2ccccc21 ZINC000072119951 563163813 /nfs/dbraw/zinc/16/38/13/563163813.db2.gz NLCRKBJQOOYJFA-UHFFFAOYSA-N 0 0 426.303 5.988 1 0 IKAFRN C[C@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000072121472 563163911 /nfs/dbraw/zinc/16/39/11/563163911.db2.gz ISHYWYJLCKNVGD-YCRPNKLZSA-N 0 0 431.916 5.192 1 0 IKAFRN COc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccc(C)cc2)cc1OC ZINC000072121463 563163931 /nfs/dbraw/zinc/16/39/31/563163931.db2.gz NLCJVKWZOGNDBZ-UHFFFAOYSA-N 0 0 437.337 5.680 3 0 IKAFRN Cc1ccc(Cc2c(-c3ccc(Cl)cc3)nc3c(C)cc(Br)cn23)cc1 ZINC000072134990 563164067 /nfs/dbraw/zinc/16/40/67/563164067.db2.gz TXXYQSPFHULBEA-UHFFFAOYSA-N 0 0 425.757 6.625 3 0 IKAFRN COc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccccc2C(F)(F)F)cc1OC ZINC000072134237 563164121 /nfs/dbraw/zinc/16/41/21/563164121.db2.gz GAJLHHSUNSPICR-UHFFFAOYSA-N 0 0 446.856 6.282 3 0 IKAFRN C[C@@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1F ZINC000072136604 563164181 /nfs/dbraw/zinc/16/41/81/563164181.db2.gz LCUHWXWLALSVDB-SPLOXXLWSA-N 0 0 449.906 5.331 1 0 IKAFRN COc1ccccc1Cc1c(-c2cccc(Br)c2)nc2ccc(Cl)cn21 ZINC000072138524 563164355 /nfs/dbraw/zinc/16/43/55/563164355.db2.gz ZKHDVNLPXPOHGZ-UHFFFAOYSA-N 0 0 427.729 6.017 3 0 IKAFRN C[C@@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000072139556 563164397 /nfs/dbraw/zinc/16/43/97/563164397.db2.gz SMQBAXPNASWCCU-QVKFZJNVSA-N 0 0 448.371 5.707 1 0 IKAFRN CO[C@@H]1C=C2[C@@H]3CC[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000072140981 563164511 /nfs/dbraw/zinc/16/45/11/563164511.db2.gz GQVCGTRDXSDAHC-MTCTYUPJSA-N 0 0 444.700 6.151 1 0 IKAFRN COc1cc(N2C(=O)[C@H](c3ccccc3)[C@H]2c2cccc3ccccc32)cc(OC)c1OC ZINC000072140829 563164542 /nfs/dbraw/zinc/16/45/42/563164542.db2.gz SIQMLKKWJPMXHD-CLJLJLNGSA-N 0 0 439.511 5.737 1 0 IKAFRN Cc1ccc(Cc2c(-c3ccc(Cl)cc3)nc3c(Cl)cc(C(F)(F)F)cn23)cc1 ZINC000072141300 563164645 /nfs/dbraw/zinc/16/46/45/563164645.db2.gz VUNNUYRITNVHHM-UHFFFAOYSA-N 0 0 435.276 7.226 3 0 IKAFRN COc1ccccc1Cc1c(-c2cccc(Cl)c2)nc2ccc(Br)cn21 ZINC000072141657 563164720 /nfs/dbraw/zinc/16/47/20/563164720.db2.gz PQVPKSOAEMAHQP-UHFFFAOYSA-N 0 0 427.729 6.017 3 0 IKAFRN C[C@@H]1CN(C(=O)Nc2ccccc2Cl)CC[C@H]1c1nc(-c2ccc3ccccc3n2)no1 ZINC000072142770 563164849 /nfs/dbraw/zinc/16/48/49/563164849.db2.gz BMMFFGHJPCJSJK-NVXWUHKLSA-N 0 0 447.926 5.596 1 0 IKAFRN C[C@H]1CN(C(=O)Nc2ccccc2Cl)CC[C@H]1c1nc(-c2ccc3ccccc3n2)no1 ZINC000072142771 563164878 /nfs/dbraw/zinc/16/48/78/563164878.db2.gz BMMFFGHJPCJSJK-DOTOQJQBSA-N 0 0 447.926 5.596 1 0 IKAFRN N#CN1[C@@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000072171844 563164960 /nfs/dbraw/zinc/16/49/60/563164960.db2.gz HYBASOOOYSQEOZ-XFTNXAEASA-N 0 0 428.535 6.402 1 0 IKAFRN Brc1ccc(-c2ccc(/C=C/c3ccc(Br)cc3)s2)s1 ZINC000072171004 563164977 /nfs/dbraw/zinc/16/49/77/563164977.db2.gz YJEBBCOGKQHMNS-ZZXKWVIFSA-N 0 0 426.198 7.172 1 0 IKAFRN Cc1ccc([C@@H]2N[C@H](c3ccc(C)cc3)[C@@H](c3ccccc3)C(=O)[C@H]2c2ccccc2)cc1 ZINC000072171867 563165019 /nfs/dbraw/zinc/16/50/19/563165019.db2.gz BSMSRMHSVCSYHX-RLQUZOAZSA-N 0 0 431.579 6.826 1 0 IKAFRN O=NN1[C@@H](c2ccccc2)[C@@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000072172164 563165040 /nfs/dbraw/zinc/16/50/40/563165040.db2.gz YOSWCGUILOMJQV-KXSOJQAOSA-N 0 0 432.523 6.603 1 0 IKAFRN O=NN1[C@@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000072172165 563165054 /nfs/dbraw/zinc/16/50/54/563165054.db2.gz YOSWCGUILOMJQV-LAJGZZDBSA-N 0 0 432.523 6.603 1 0 IKAFRN O=C(c1ccc(Br)cc1)n1ccc(-c2ccccc2)c1C(=O)N1CCCCC1 ZINC000072176083 563165630 /nfs/dbraw/zinc/16/56/30/563165630.db2.gz MEUOJGIQKRHOFS-UHFFFAOYSA-N 0 0 437.337 5.232 1 0 IKAFRN Nc1nc(-c2cccc3ccccc32)c2c(n1)/C(=C/c1cccc3ccccc13)CCCC2 ZINC000072176575 563165685 /nfs/dbraw/zinc/16/56/85/563165685.db2.gz BTFJAXDRMDTZCE-FCDQGJHFSA-N 0 0 427.551 7.299 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@H](c3ccc(F)cc3)[C@H]1C2 ZINC000072177070 563165859 /nfs/dbraw/zinc/16/58/59/563165859.db2.gz KVNYHKNLTXXKRM-GBXCKJPGSA-N 0 0 449.457 5.147 1 0 IKAFRN CC[C@H](Cc1cc2cc(-c3ccccc3C)ccc2nc1N)C(=O)NCC1CCCCC1 ZINC000072177492 563166021 /nfs/dbraw/zinc/16/60/21/563166021.db2.gz SHGMHNFVZNZZBT-OAQYLSRUSA-N 0 0 429.608 6.058 1 0 IKAFRN CC[C@@H](Cc1cc2cc(-c3ccccc3C)ccc2nc1N)C(=O)NCC1CCCCC1 ZINC000072177491 563166031 /nfs/dbraw/zinc/16/60/31/563166031.db2.gz SHGMHNFVZNZZBT-NRFANRHFSA-N 0 0 429.608 6.058 1 0 IKAFRN COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000072177471 563166038 /nfs/dbraw/zinc/16/60/38/563166038.db2.gz YBUVLRVXWRFFPY-SANMLTNESA-N 0 0 439.584 6.791 1 0 IKAFRN CCC[C@H](Cc1cc2cc(-c3ccccc3C)ccc2nc1N)C(=O)NCC1CCCCC1 ZINC000072177973 563166093 /nfs/dbraw/zinc/16/60/93/563166093.db2.gz KSRGIPYZQZCBMH-HSZRJFAPSA-N 0 0 443.635 6.448 1 0 in-vitro IKAFRN COc1cc2c(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)nc[nH]c-2cc1=O ZINC000072178282 563166212 /nfs/dbraw/zinc/16/62/12/563166212.db2.gz VDHMQOXOGNLSNW-UHFFFAOYSA-N 0 0 449.467 5.066 1 0 IKAFRN CO[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)c3c(c21)Oc1cc(O)c(C)c2c1[C@H]3O[C@H](C)[C@H]2C ZINC000072178522 563166297 /nfs/dbraw/zinc/16/62/97/563166297.db2.gz HRXCZVGVMBEMLM-DHTPKOFLSA-N 0 0 426.509 5.599 1 0 IKAFRN Cc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc3nc(C)c(C)nc3c2)n1 ZINC000072179626 563166560 /nfs/dbraw/zinc/16/65/60/563166560.db2.gz STWGGWFROPAXHA-UHFFFAOYSA-N 0 0 448.530 5.119 1 0 IKAFRN O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3cnc4ccccc4c3)no2)CC1 ZINC000072179451 563166562 /nfs/dbraw/zinc/16/65/62/563166562.db2.gz CMZXTBDDIFHOAK-UHFFFAOYSA-N 0 0 433.899 5.350 1 0 IKAFRN COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c2cc1O ZINC000072180939 563167020 /nfs/dbraw/zinc/16/70/20/563167020.db2.gz VNEQWXQWPCTJQW-UHFFFAOYSA-N 0 0 449.467 5.066 1 0 IKAFRN COc1cccc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc43)c2)c1 ZINC000072181451 563167242 /nfs/dbraw/zinc/16/72/42/563167242.db2.gz ILRHFINBZIHVAO-UHFFFAOYSA-N 0 0 446.463 5.092 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@@H](c3ccccc3)[C@@H]1C2 ZINC000072181861 563167335 /nfs/dbraw/zinc/16/73/35/563167335.db2.gz ROIQELCFETWEND-RLWLMLJZSA-N 0 0 441.531 5.486 1 0 IKAFRN Cc1cccc(-c2nn(CC(=S)Nc3ccccc3)cc2-c2ccc3nccnc3c2)n1 ZINC000072182504 563167515 /nfs/dbraw/zinc/16/75/15/563167515.db2.gz IEAHJDJYKPEQOI-UHFFFAOYSA-N 0 0 436.544 5.303 1 0 IKAFRN COc1cc2c(cc1OC)[C@@H](C(C)C)N(Cc1coc(-c3cccc4ccccc43)n1)CC2 ZINC000072184089 563167753 /nfs/dbraw/zinc/16/77/53/563167753.db2.gz FKLZHIRDMSNGDG-HHHXNRCGSA-N 0 0 442.559 6.267 1 0 IKAFRN CC[C@H](C)[C@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072184256 563167785 /nfs/dbraw/zinc/16/77/85/563167785.db2.gz XLYFKUYOYSCHFH-CVDCTZTESA-N 0 0 435.568 5.064 1 0 IKAFRN CCOc1ccc(-c2nc(CN(C)Cc3coc(-c4ccc(OCC)cc4)n3)co2)cc1 ZINC000072185929 563168207 /nfs/dbraw/zinc/16/82/07/563168207.db2.gz OXBSHUXFUXMVHL-UHFFFAOYSA-N 0 0 433.508 5.426 1 0 IKAFRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000072940783 563168517 /nfs/dbraw/zinc/16/85/17/563168517.db2.gz RSBZAPHEXHYQQK-JBZGATTQSA-N 0 0 443.672 6.002 1 0 IKAFRN O=C(c1ccccc1)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccc(F)cc1 ZINC000073129986 563168638 /nfs/dbraw/zinc/16/86/38/563168638.db2.gz PKJXVBZQRZMDIA-HSZRJFAPSA-N 0 0 438.502 5.642 1 0 IKAFRN O=C(c1ccccc1)N(CCc1ccccc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000073138233 563168724 /nfs/dbraw/zinc/16/87/24/563168724.db2.gz SAVNFICIQAMBBZ-VWLOTQADSA-N 0 0 448.566 5.541 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)[C@@H](c3ccccc3)[C@@H]1C2 ZINC000073140172 563168854 /nfs/dbraw/zinc/16/88/54/563168854.db2.gz CUDIYPHOFQUNMY-YKSBVNFPSA-N 0 0 447.922 5.523 1 0 IKAFRN Cc1ccc(CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C(=O)c2ccccc2)cc1 ZINC000073140612 563168862 /nfs/dbraw/zinc/16/88/62/563168862.db2.gz ARRZZOCFOXLNCS-VWLOTQADSA-N 0 0 448.566 5.806 1 0 IKAFRN Cc1ccc(-n2c3ncn4c(=S)[nH]nc4c3c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000073139897 563168906 /nfs/dbraw/zinc/16/89/06/563168906.db2.gz MRAXOCUMJXOLQA-UHFFFAOYSA-N 0 0 433.540 5.999 1 0 IKAFRN O=C(c1ccccc1)N(Cc1ccccc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000073140745 563168948 /nfs/dbraw/zinc/16/89/48/563168948.db2.gz VFYUPGNLMSNIOO-DEOSSOPVSA-N 0 0 434.539 5.498 1 0 IKAFRN Cn1cc(C=C2C(=O)NN=C2c2nccs2)c2c1cccc2OCc1cccc(F)c1 ZINC000073160978 563169494 /nfs/dbraw/zinc/16/94/94/563169494.db2.gz ICOFBYGBWIFPCM-BOPFTXTBSA-N 0 0 432.480 5.111 1 0 IKAFRN Cn1cc(C=C2C(=O)NN=C2c2nccs2)c2c1cccc2OCc1ccccc1F ZINC000073160974 563169514 /nfs/dbraw/zinc/16/95/14/563169514.db2.gz PSSRYQDYNCKPMM-WJDWOHSUSA-N 0 0 432.480 5.111 1 0 IKAFRN COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)c2ccccc2)cc1 ZINC000073166810 563169638 /nfs/dbraw/zinc/16/96/38/563169638.db2.gz SZZWTRXGNSPSOB-UHFFFAOYSA-N 0 0 435.545 5.275 1 0 IKAFRN CN(C)C(=S)Nc1cccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)o2)c1 ZINC000073166924 563169651 /nfs/dbraw/zinc/16/96/51/563169651.db2.gz VNQJEYOQKYNJAJ-UHFFFAOYSA-N 0 0 448.573 5.123 1 0 IKAFRN O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@@H](O)Cn1ccc2ccccc21 ZINC000073167079 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437.462 5.636 1 0 IKAFRN CC(C)c1cc(CCC(=O)C[C@H](O)CCCCCCc2ccccc2)cc(C(C)C)c1O ZINC000082149758 563173094 /nfs/dbraw/zinc/17/30/94/563173094.db2.gz BJRMWEHFSJOJSM-RUZDIDTESA-N 0 0 438.652 7.085 1 0 IKAFRN COc1ccccc1CNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000082152001 563173358 /nfs/dbraw/zinc/17/33/58/563173358.db2.gz HDJABPWIIADTPQ-UHFFFAOYSA-N 0 0 435.325 5.757 1 0 IKAFRN COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](n4cc(-c5ccccc5)nn4)CC(=O)[C@@]3(C)CC[C@H]21 ZINC000082153812 563173479 /nfs/dbraw/zinc/17/34/79/563173479.db2.gz OEGCSZRYSXXKCB-MHAQMNHWSA-N 0 0 427.548 5.230 1 0 IKAFRN CCNC(=O)N[C@@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 ZINC000084653533 563174981 /nfs/dbraw/zinc/17/49/81/563174981.db2.gz LOEKJIKYSAMXPR-QGZVFWFLSA-N 0 0 445.350 5.379 1 0 IKAFRN CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)c(-c3ccccc3)cc21 ZINC000084670568 563175244 /nfs/dbraw/zinc/17/52/44/563175244.db2.gz QPRCXHRHJQCCTF-UHFFFAOYSA-N 0 0 428.507 5.538 1 0 IKAFRN Clc1cccc(Nc2ncnc3ccc(NCc4ccc5c(c4)OCCCO5)cc32)c1 ZINC000084672091 563175500 /nfs/dbraw/zinc/17/55/00/563175500.db2.gz YRCJXUNBUGZDOX-UHFFFAOYSA-N 0 0 432.911 5.800 1 0 IKAFRN CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(Cl)c(OC(F)F)cc3C)ccnc21 ZINC000084689326 563176083 /nfs/dbraw/zinc/17/60/83/563176083.db2.gz AGXBQHOVCVJMSO-QGZVFWFLSA-N 0 0 433.886 5.691 1 0 IKAFRN CSc1nc(/C=C/c2ccc(O)c(N(C)C)c2)cc(/C=C/c2ccc(O)c(N(C)C)c2)n1 ZINC000084689825 563176239 /nfs/dbraw/zinc/17/62/39/563176239.db2.gz XVORTWYAVRCKAF-JMQWPVDRSA-N 0 0 448.592 5.083 1 0 IKAFRN Cc1cc2c(NC(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cccc2c(C)n1 ZINC000084690038 563176333 /nfs/dbraw/zinc/17/63/33/563176333.db2.gz ASRTVHNVXRISED-UHFFFAOYSA-N 0 0 443.473 5.056 1 0 IKAFRN Cc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc(-c3cccs3)cc1)S[C@@H](C)C(=O)N2 ZINC000084705523 563176854 /nfs/dbraw/zinc/17/68/54/563176854.db2.gz ZYEBVDPZHZJKPH-GAJHUEQPSA-N 0 0 445.613 6.381 1 0 IKAFRN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000084707095 563177027 /nfs/dbraw/zinc/17/70/27/563177027.db2.gz QJSWWNTZMNLEOC-LJQANCHMSA-N 0 0 436.521 7.454 1 0 IKAFRN CCOC(=O)C(C)(C)C1=C/C(=C\c2cnc(-c3ccccc3)nc2C)c2ccc(F)cc21 ZINC000084710828 563177415 /nfs/dbraw/zinc/17/74/15/563177415.db2.gz HLAUYNHWXXLYOD-CPNJWEJPSA-N 0 0 428.507 6.118 1 0 IKAFRN COC(=O)CCSC/C=C(\C)CCn1cc(CCc2cccc(-c3ccccc3)c2)nn1 ZINC000084710930 563177430 /nfs/dbraw/zinc/17/74/30/563177430.db2.gz YAFCZBDLAVKQQW-KGENOOAVSA-N 0 0 449.620 5.363 1 0 IKAFRN CCCNc1ncc(-c2cc(-c3ccc(OC)cc3Cl)nc(-c3cnccn3)n2)s1 ZINC000084712972 563177643 /nfs/dbraw/zinc/17/76/43/563177643.db2.gz APWWGLHVZKSZOE-UHFFFAOYSA-N 0 0 438.944 5.208 1 0 IKAFRN COc1cc(C(=O)OCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc(OC)c1OC ZINC000084712636 563177644 /nfs/dbraw/zinc/17/76/44/563177644.db2.gz DYPOAQWJQVVDDK-UHFFFAOYSA-N 0 0 437.275 5.636 1 0 IKAFRN COc1ccc2c(c1)nc([C@@H](C)c1ccc(CC(C)C)cc1)n2Cc1ccccc1Cl ZINC000084713236 563177766 /nfs/dbraw/zinc/17/77/66/563177766.db2.gz JPEJCNWUFQHFCB-IBGZPJMESA-N 0 0 432.995 7.097 1 0 IKAFRN COc1ccc([C@@]23Sc4cc(Br)ccc4N=C2c2ccccc2C3=O)cc1 ZINC000084714367 563177888 /nfs/dbraw/zinc/17/78/88/563177888.db2.gz FMWSWPARQQPFDW-JOCHJYFZSA-N 0 0 436.330 5.776 1 0 IKAFRN CC(C)n1nc(-c2ccc3cc(OCc4ccccc4Cl)ccc3c2)c2c1ncnc2N ZINC000084722634 563178018 /nfs/dbraw/zinc/17/80/18/563178018.db2.gz KLNHTCQQONFNPS-UHFFFAOYSA-N 0 0 443.938 6.042 1 0 IKAFRN Cc1cc2c(cc1NC(=O)c1ccc3c(c1)C(C)(C)CCC3(C)C)C(C)(C)CCC2(C)C ZINC000084730152 563178409 /nfs/dbraw/zinc/17/84/09/563178409.db2.gz ZEHMJVSCRCSYRS-UHFFFAOYSA-N 0 0 431.664 7.945 1 0 IKAFRN COc1ccc2c(c1)c(CC(=O)Nc1ccc(Cl)cc1)c(C)n2C(=O)c1ccc(C)cc1 ZINC000084731856 563178643 /nfs/dbraw/zinc/17/86/43/563178643.db2.gz ADIDLXZRDWCGKS-UHFFFAOYSA-N 0 0 446.934 5.790 1 0 IKAFRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1C(=O)N5C ZINC000084733825 563178860 /nfs/dbraw/zinc/17/88/60/563178860.db2.gz ATKRAZULXLACEY-CEAGWFGBSA-N 0 0 433.636 6.215 1 0 IKAFRN CCCc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccsc4)CC3)cc2)cc1 ZINC000084733766 563178890 /nfs/dbraw/zinc/17/88/90/563178890.db2.gz MTIOKEMZAYZZPY-UHFFFAOYSA-N 0 0 433.621 5.271 1 0 IKAFRN Cc1cc(C)c(-n2c3ccncc3nc2SCC(=O)Nc2ccccc2Cl)c(C)c1 ZINC000084740363 563178955 /nfs/dbraw/zinc/17/89/55/563178955.db2.gz YNEIGNLVGLNHII-UHFFFAOYSA-N 0 0 436.968 5.730 1 0 IKAFRN O=C(N[C@](Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1)c1ccccc1 ZINC000095552015 563180744 /nfs/dbraw/zinc/18/07/44/563180744.db2.gz LOCLSNGPZFPWJE-AREMUKBSSA-N 0 0 446.472 6.017 1 0 IKAFRN COc1ccc(-c2nc3ccc(Cl)cc3n2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000095552433 563180869 /nfs/dbraw/zinc/18/08/69/563180869.db2.gz GJDUQZFPFZVEPA-UHFFFAOYSA-N 0 0 438.911 5.439 1 0 IKAFRN CCc1sc(N)c(C(=O)c2ccc(Cl)cc2)c1CN1CCN(c2ccccc2)CC1 ZINC000095554561 563181178 /nfs/dbraw/zinc/18/11/78/563181178.db2.gz NMTPEPMKHPKCNG-UHFFFAOYSA-N 0 0 440.012 5.099 1 0 IKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(-c2ccc(C)cc2)c1C ZINC000095556494 563181504 /nfs/dbraw/zinc/18/15/04/563181504.db2.gz GVGKRVCNFMMMAI-UHFFFAOYSA-N 0 0 446.635 6.021 1 0 IKAFRN CN(C)C(=O)c1ccc2[nH]c(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1 ZINC000095558625 563181779 /nfs/dbraw/zinc/18/17/79/563181779.db2.gz JSFUNDWSNQBBIY-UHFFFAOYSA-N 0 0 429.564 5.312 1 0 IKAFRN COc1cc2cc(-c3cccc(-c4ccc(-c5ccccc5)cc4)c3)nc(C)c2cc1OC ZINC000095558616 563181784 /nfs/dbraw/zinc/18/17/84/563181784.db2.gz ONXOZQYHHDXVLF-UHFFFAOYSA-N 0 0 431.535 7.561 1 0 IKAFRN COc1ccc(-c2nn3c(nc(C)cc3NCc3cccnc3)c2-c2ccc(F)cc2)cc1 ZINC000095560368 563182176 /nfs/dbraw/zinc/18/21/76/563182176.db2.gz SOGBYDADCGPYBI-UHFFFAOYSA-N 0 0 439.494 5.527 1 0 IKAFRN Clc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095560604 563182255 /nfs/dbraw/zinc/18/22/55/563182255.db2.gz BPABMQIDRHBFFE-PBWSGDRGSA-N 0 0 437.995 8.070 1 0 IKAFRN Cc1ccc(NC(=O)Nc2cc(F)cc(C(F)(F)F)c2)cc1NC(=O)c1ccccc1 ZINC000095560992 563182302 /nfs/dbraw/zinc/18/23/02/563182302.db2.gz SHTOEJFYAMAJEP-UHFFFAOYSA-N 0 0 431.389 6.049 1 0 IKAFRN Cc1ccc([C@@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095561850 563182508 /nfs/dbraw/zinc/18/25/08/563182508.db2.gz HPCMASFBCQZSSC-UNRZKBSHSA-N 0 0 431.604 8.033 1 0 IKAFRN COc1ccc(N2C(=O)CS[C@@H]2c2sc(Cc3ccc(Cl)cc3)nc2C)cc1 ZINC000095562797 563182736 /nfs/dbraw/zinc/18/27/36/563182736.db2.gz JBHADGPAMSVWDE-OAQYLSRUSA-N 0 0 430.982 5.483 1 0 IKAFRN COc1ccc(N2C(=O)CS[C@H]2c2sc(Cc3ccc(Cl)cc3)nc2C)cc1 ZINC000095562798 563182775 /nfs/dbraw/zinc/18/27/75/563182775.db2.gz JBHADGPAMSVWDE-NRFANRHFSA-N 0 0 430.982 5.483 1 0 IKAFRN Clc1ccc2c(c1)S[C@H](c1ccccc1)[C@@H]1C(=N2)c2ccccc2[C@@H]1c1ccccc1 ZINC000095563329 563182826 /nfs/dbraw/zinc/18/28/26/563182826.db2.gz NAGCVRCWFWUITK-UNCTUWKVSA-N 0 0 437.995 8.070 1 0 IKAFRN Fc1ccc(-c2nc3cc(Oc4ccc5[nH]c(-c6ccc(F)cc6)nc5c4)ccc3[nH]2)cc1 ZINC000095563162 563182839 /nfs/dbraw/zinc/18/28/39/563182839.db2.gz MSULVNLKCLOYLF-UHFFFAOYSA-N 0 0 438.437 6.844 1 0 IKAFRN COc1ccc([C@@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095563835 563183007 /nfs/dbraw/zinc/18/30/07/563183007.db2.gz XVKWGFIPMCEATE-UNRZKBSHSA-N 0 0 447.603 7.733 1 0 IKAFRN CCCCCc1c(-c2cccc(Br)c2)ncn1CCc1ccccc1OC ZINC000095565649 563183313 /nfs/dbraw/zinc/18/33/13/563183313.db2.gz ZFALOTOVKBSEHQ-UHFFFAOYSA-N 0 0 427.386 6.297 3 0 IKAFRN Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccc2C(F)(F)F)c1C(=O)c1cccs1 ZINC000095566281 563183477 /nfs/dbraw/zinc/18/34/77/563183477.db2.gz CKFVHYNHEWNOCA-UHFFFAOYSA-N 0 0 440.446 5.806 3 0 IKAFRN O=c1c(-c2ccccc2)nc2ccccc2n1[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000095566546 563183592 /nfs/dbraw/zinc/18/35/92/563183592.db2.gz OPWLCLDGWAGEMT-AREMUKBSSA-N 0 0 428.495 5.578 3 0 IKAFRN O=c1c(-c2cccs2)nc2ccccc2n1[C@@H](c1nc2ccccc2[nH]1)c1ccccn1 ZINC000095567988 563183814 /nfs/dbraw/zinc/18/38/14/563183814.db2.gz MNXJGFDFCWMODE-HSZRJFAPSA-N 0 0 435.512 5.034 3 0 IKAFRN Cc1ccc(OCc2nc3ccccc3n2[C@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 ZINC000095568297 563183912 /nfs/dbraw/zinc/18/39/12/563183912.db2.gz ZYZXTFHNNKIRPO-VWLOTQADSA-N 0 0 427.548 5.428 3 0 IKAFRN CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095568306 563183918 /nfs/dbraw/zinc/18/39/18/563183918.db2.gz QBSUJOYKFGFBHW-OAQYLSRUSA-N 0 0 444.366 5.748 3 0 IKAFRN CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095568307 563183919 /nfs/dbraw/zinc/18/39/19/563183919.db2.gz QBSUJOYKFGFBHW-NRFANRHFSA-N 0 0 444.366 5.748 3 0 IKAFRN COc1ccc(Cc2c(-c3ccc(C)cc3)nc3c(C)cc(Br)cn23)c(C)c1 ZINC000095568602 563183941 /nfs/dbraw/zinc/18/39/41/563183941.db2.gz OFOWIYDZRRCZOV-UHFFFAOYSA-N 0 0 435.365 6.288 3 0 IKAFRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](c2ccccn2)C23CC2C3)c(C(C)C)c1 ZINC000095568955 563183999 /nfs/dbraw/zinc/18/39/99/563183999.db2.gz VQWHUKDXVQJTSN-WDEWVQCLSA-N 0 0 426.626 5.881 3 0 IKAFRN Fc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2cccc(Cl)c2)cc1 ZINC000095569245 563184019 /nfs/dbraw/zinc/18/40/19/563184019.db2.gz ORXIGEXJTMVXGZ-UHFFFAOYSA-N 0 0 439.239 7.057 3 0 IKAFRN Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)n1c2ccccc2nc1-c1ccccc1 ZINC000095569549 563184074 /nfs/dbraw/zinc/18/40/74/563184074.db2.gz LJSVSARTYZVNAF-MHZLTWQESA-N 0 0 431.539 6.548 3 0 IKAFRN Cc1cc2nc(-c3cccc(Cl)c3)c(CC3CCCCC3)n2c(C)c1Br ZINC000095569385 563184105 /nfs/dbraw/zinc/18/41/05/563184105.db2.gz YSOMIXLTOGWSSR-UHFFFAOYSA-N 0 0 431.805 7.157 3 0 IKAFRN CC(C)(C)OC(=O)N1c2ccccc2[C@@](OC(=O)c2ccccc2)(c2ccc(F)cc2)C1=O ZINC000095569618 563184161 /nfs/dbraw/zinc/18/41/61/563184161.db2.gz KYROEQORTHXXSD-SANMLTNESA-N 0 0 447.462 5.208 3 0 IKAFRN Cc1cc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc12 ZINC000095569613 563184165 /nfs/dbraw/zinc/18/41/65/563184165.db2.gz IHAALOSTTDBLBM-UHFFFAOYSA-N 0 0 430.499 5.081 1 0 IKAFRN CCOC(=O)[C@]12Cc3cc4ccccc4cc3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12 ZINC000095569596 563184171 /nfs/dbraw/zinc/18/41/71/563184171.db2.gz KCQCOTHCEMQMDT-OFSOJUDTSA-N 0 0 447.534 5.594 3 0 IKAFRN Cc1cc2nc(-c3ccco3)c(Cc3ccccc3C(F)(F)F)n2c(C)c1Br ZINC000095569640 563184182 /nfs/dbraw/zinc/18/41/82/563184182.db2.gz OIBHNOYAAICPMJ-UHFFFAOYSA-N 0 0 449.270 6.583 3 0 IKAFRN CCCC[C@H](c1nc2ccccc2[nH]1)n1c2cc(C)c(C)cc2nc(-c2ccccc2)c1=O ZINC000095570143 563184227 /nfs/dbraw/zinc/18/42/27/563184227.db2.gz ZICGFRBZJBXTBU-XMMPIXPASA-N 0 0 436.559 6.336 3 0 IKAFRN Cc1[nH]c2ccccc2c1C(=O)c1cc([C@H](NC(=O)OC(C)(C)C)C(C)C)sc1N ZINC000095569844 563184232 /nfs/dbraw/zinc/18/42/32/563184232.db2.gz ICCWUFCELIYMSP-LJQANCHMSA-N 0 0 427.570 5.573 3 0 IKAFRN Cc1cc2nc(-c3ccc(Cl)cc3)c(CC3CCCCC3)n2c(C)c1Br ZINC000095569807 563184262 /nfs/dbraw/zinc/18/42/62/563184262.db2.gz QTTATXCISRHCTC-UHFFFAOYSA-N 0 0 431.805 7.157 3 0 IKAFRN Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O ZINC000095570215 563184335 /nfs/dbraw/zinc/18/43/35/563184335.db2.gz WQALCQQGKRVCJP-SANMLTNESA-N 0 0 449.510 5.501 3 0 IKAFRN O=C(Nc1nc2ccc(NC(=O)C3C4CC5CC(C4)CC3C5)cc2s1)c1ccccc1 ZINC000095571023 563184428 /nfs/dbraw/zinc/18/44/28/563184428.db2.gz UDTWNDBVRLDPNE-UHFFFAOYSA-N 0 0 431.561 5.559 1 0 IKAFRN O=C1CC[C@H](OCc2ccccc2)CCN1CC[C@@H](Sc1ccccc1)c1ccccc1 ZINC000095571260 563184478 /nfs/dbraw/zinc/18/44/78/563184478.db2.gz BCOBBTQPNTZLPA-AHKZPQOWSA-N 0 0 445.628 6.508 3 0 IKAFRN Cc1csc(-c2nc3ccccc3n2[C@H](C(=O)NC(C)(C)C)c2cc3ccccc3o2)c1 ZINC000095571338 563184507 /nfs/dbraw/zinc/18/45/07/563184507.db2.gz WBCFCBIAAJQAMF-QHCPKHFHSA-N 0 0 443.572 6.324 3 0 IKAFRN Cc1cc(F)ccc1S(=O)(=O)Nc1cnc(Oc2cnc3ccccc3c2)c(Cl)c1 ZINC000095571928 563184659 /nfs/dbraw/zinc/18/46/59/563184659.db2.gz MRORGQWRRIHYIV-UHFFFAOYSA-N 0 0 443.887 5.324 1 0 IKAFRN Cc1ccccc1CCC(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C ZINC000095572195 563184733 /nfs/dbraw/zinc/18/47/33/563184733.db2.gz UPYAKVYJUXUDPY-RUZDIDTESA-N 0 0 441.015 5.128 1 0 IKAFRN COc1cc(Nc2nc(Cc3ccc(Cl)cc3)c(CO)s2)ccc1-n1cnc(C)c1 ZINC000095572470 563184735 /nfs/dbraw/zinc/18/47/35/563184735.db2.gz VFNGGYLRABICDP-UHFFFAOYSA-N 0 0 440.956 5.126 1 0 IKAFRN COc1ccc(C2=NN(C(=O)c3cc(Cl)ccc3O)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000095572628 563184853 /nfs/dbraw/zinc/18/48/53/563184853.db2.gz DSWQRQCPUFAYJK-JOCHJYFZSA-N 0 0 436.895 5.054 1 0 IKAFRN Cc1ccc(Nc2ccc3c(c2)OCc2ccccc2C3=O)cc1NC(=O)c1ccccc1 ZINC000095572851 563184982 /nfs/dbraw/zinc/18/49/82/563184982.db2.gz MPXQZYPIZMKIOT-UHFFFAOYSA-N 0 0 434.495 6.114 1 0 IKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccccc3OC)cc2)C(=O)C(C)C)c1 ZINC000095573765 563185180 /nfs/dbraw/zinc/18/51/80/563185180.db2.gz WETBHJJWUXGZBV-SAPNQHFASA-N 0 0 443.543 5.738 1 0 IKAFRN CC(C)(C)c1cn(C[C@@H](OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1 ZINC000095575604 563185735 /nfs/dbraw/zinc/18/57/35/563185735.db2.gz RVLKXGOBVHEOIO-LJQANCHMSA-N 0 0 438.786 6.494 1 0 IKAFRN COc1ccc(C2=NN(C(=O)c3cc(OC)ccc3O)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095576180 563185848 /nfs/dbraw/zinc/18/58/48/563185848.db2.gz CYYYANQLHNMXLF-QFIPXVFZSA-N 0 0 436.895 5.054 1 0 IKAFRN O=c1cc2n(-c3ccccc3)nc(-c3ccccc3)nc-2cc1N1CCCc2ccccc21 ZINC000095576547 563186008 /nfs/dbraw/zinc/18/60/08/563186008.db2.gz AIYCCMFYHMNZKJ-UHFFFAOYSA-N 0 0 430.511 5.484 1 0 IKAFRN COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)cnc1-n1cnc(C)c1 ZINC000095576909 563186119 /nfs/dbraw/zinc/18/61/19/563186119.db2.gz IPLJMLVASBJBRO-UHFFFAOYSA-N 0 0 428.471 5.021 1 0 IKAFRN Fc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc3[nH]c(-c4ccccc4)cc32)cc1 ZINC000095576838 563186171 /nfs/dbraw/zinc/18/61/71/563186171.db2.gz AZFUYVNWRUXRLD-UHFFFAOYSA-N 0 0 430.486 7.093 1 0 IKAFRN COc1ccc(C2=NN(C(=O)c3cc(Cl)ccc3O)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095577317 563186245 /nfs/dbraw/zinc/18/62/45/563186245.db2.gz WXACIDRVAAKEJD-NRFANRHFSA-N 0 0 441.314 5.699 1 0 IKAFRN Clc1ccc(CO[C@H](Cn2nnc3ccccc32)c2ccc(Cl)cc2Cl)cc1 ZINC000095577808 563186498 /nfs/dbraw/zinc/18/64/98/563186498.db2.gz PJNNRQXEOBDWDY-OAQYLSRUSA-N 0 0 432.738 6.350 1 0 IKAFRN CCN(CC)c1ccc(Nc2nc(-c3ccc(-n4cc(C)nc4C)cc3)cs2)c(C)c1 ZINC000095577768 563186504 /nfs/dbraw/zinc/18/65/04/563186504.db2.gz UNYVBWLVJBQFEY-UHFFFAOYSA-N 0 0 431.609 6.511 1 0 IKAFRN Cc1ccc(CCC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)cc1 ZINC000095578170 563186584 /nfs/dbraw/zinc/18/65/84/563186584.db2.gz JHIUBSAFHHHZGV-RUZDIDTESA-N 0 0 441.015 5.128 1 0 IKAFRN CCc1cc(CC)nc(OCCCn2c3ccc(-c4noc(C)n4)cc3c3c2CCCC3)n1 ZINC000095578031 563186616 /nfs/dbraw/zinc/18/66/16/563186616.db2.gz XRYWSXZRGACJPZ-UHFFFAOYSA-N 0 0 445.567 5.262 1 0 IKAFRN CCCCc1cn(C[C@H](OCc2ccc(F)cc2F)c2ccc(Cl)cc2Cl)nn1 ZINC000095578469 563186764 /nfs/dbraw/zinc/18/67/64/563186764.db2.gz IQDNQWGCNVCRRZ-NRFANRHFSA-N 0 0 440.321 6.164 1 0 IKAFRN Cc1ccccc1[C@@H](C(=O)NC1CCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095578709 563186802 /nfs/dbraw/zinc/18/68/02/563186802.db2.gz KOJQFPSPRBLOAU-DEOSSOPVSA-N 0 0 436.552 5.181 1 0 IKAFRN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000095579083 563186898 /nfs/dbraw/zinc/18/68/98/563186898.db2.gz SNOXZWTVZITNDR-QHCPKHFHSA-N 0 0 426.988 5.199 1 0 IKAFRN Fc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc3[nH]c(C4CCCCC4)cc32)cc1 ZINC000095579276 563186941 /nfs/dbraw/zinc/18/69/41/563186941.db2.gz DNKAGWPFLKTMAE-UHFFFAOYSA-N 0 0 436.534 7.474 1 0 IKAFRN CCCCC1(c2cc(OC)c3cc(Cc4ccccc4OC)c(=O)oc3c2)CCCCC1 ZINC000095579617 563187068 /nfs/dbraw/zinc/18/70/68/563187068.db2.gz HFQQAEKLEDHEFF-UHFFFAOYSA-N 0 0 434.576 6.793 1 0 IKAFRN CCOC(=O)c1cccc(NC(=O)/C=C/Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000095579908 563187197 /nfs/dbraw/zinc/18/71/97/563187197.db2.gz VKUVWTHIVUSKAU-ZHACJKMWSA-N 0 0 445.559 5.862 1 0 IKAFRN Cc1cccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)[C@H]4CC[C@]3(C)C4)c(=O)c3ccc(F)cc32)c1 ZINC000095579993 563187199 /nfs/dbraw/zinc/18/71/99/563187199.db2.gz PPAGNEOHDUNLGU-RPFZEFQRSA-N 0 0 446.566 5.442 1 0 IKAFRN CC(C)(C)c1ccc(C(=O)Nc2cccc(Nc3ccc4c(c3)CCCCC4=O)c2)cc1 ZINC000095580249 563187263 /nfs/dbraw/zinc/18/72/63/563187263.db2.gz QEJIAIGGEHPIDH-UHFFFAOYSA-N 0 0 426.560 6.889 1 0 IKAFRN COc1ccc(-c2ccc([C@H]3N(C)c4ccccc4C(=O)N3c3ccccc3)s2)cc1 ZINC000095581330 563187603 /nfs/dbraw/zinc/18/76/03/563187603.db2.gz RKXKWJKRDVTYIU-VWLOTQADSA-N 0 0 426.541 6.219 1 0 IKAFRN Brc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc4ccccc4c3)C2)cc1 ZINC000095582951 563188068 /nfs/dbraw/zinc/18/80/68/563188068.db2.gz ZFTKFOAKOQEOAJ-RUZDIDTESA-N 0 0 427.345 6.958 1 0 IKAFRN Cc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Sc2ccccc2)s1 ZINC000095582871 563188113 /nfs/dbraw/zinc/18/81/13/563188113.db2.gz BCDUTWFTAHTDSY-RUZDIDTESA-N 0 0 442.609 7.003 1 0 IKAFRN Cc1c2oc3c(c2cc2c(C)c(CCC(=O)Nc4cccc(O)c4)c(=O)oc12)CCCC3 ZINC000095583042 563188187 /nfs/dbraw/zinc/18/81/87/563188187.db2.gz YIIREXBIWWXISD-UHFFFAOYSA-N 0 0 431.488 5.312 1 0 IKAFRN Brc1ccc(C2=NN(c3ccccc3)[C@H](c3cccc4ccccc43)C2)cc1 ZINC000095585394 563188815 /nfs/dbraw/zinc/18/88/15/563188815.db2.gz WRQKYTMPGPMLPI-VWLOTQADSA-N 0 0 427.345 6.958 1 0 IKAFRN Brc1ccc(C2=NN(c3ccccc3)[C@@H](c3cccc4ccccc43)C2)cc1 ZINC000095585395 563188830 /nfs/dbraw/zinc/18/88/30/563188830.db2.gz WRQKYTMPGPMLPI-RUZDIDTESA-N 0 0 427.345 6.958 1 0 IKAFRN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H]1c3cc4cccc(C)c4nc3SC[C@@H]1C(C)(C)O2 ZINC000095586177 563189171 /nfs/dbraw/zinc/18/91/71/563189171.db2.gz RDWLOLBKBDUHIS-JTHBVZDNSA-N 0 0 441.600 6.371 1 0 IKAFRN CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000095586644 563189228 /nfs/dbraw/zinc/18/92/28/563189228.db2.gz WUEURVOTFFPCAZ-UHFFFAOYSA-N 0 0 431.414 6.540 1 0 IKAFRN COc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(NC4CCCCC4)n3)c2c1 ZINC000095586645 563189273 /nfs/dbraw/zinc/18/92/73/563189273.db2.gz QJPWQJPSTPILRY-UHFFFAOYSA-N 0 0 449.558 6.389 1 0 IKAFRN Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H]1c3cc4cccc(C)c4nc3SC[C@@H]1CO2 ZINC000095588880 563189487 /nfs/dbraw/zinc/18/94/87/563189487.db2.gz NGQFKPXAFRFQFU-KKSFZXQISA-N 0 0 433.964 5.937 1 0 IKAFRN O=C(NCc1cccs1)c1ccc2[nH]c(-c3ccc(Oc4ccccc4)cc3)nc2c1 ZINC000095589720 563189695 /nfs/dbraw/zinc/18/96/95/563189695.db2.gz KGAMDVVNVAIJKQ-UHFFFAOYSA-N 0 0 425.513 6.014 1 0 IKAFRN COc1ccc2cc(-c3nc(CN4CCc5cc(OC)c(OC)cc5C4)cs3)ccc2c1 ZINC000095590462 563189973 /nfs/dbraw/zinc/18/99/73/563189973.db2.gz OGLKJXIUGJVUHN-UHFFFAOYSA-N 0 0 446.572 5.547 1 0 IKAFRN Cc1nn(C)c(Oc2cc(Cl)ccc2Cl)c1C(=O)N1CCCC[C@H]1c1cccnc1 ZINC000095590481 563189992 /nfs/dbraw/zinc/18/99/92/563189992.db2.gz BXFQASYRUBERCT-SFHVURJKSA-N 0 0 445.350 5.590 1 0 IKAFRN Cc1cccn2c1nc(-c1ccc(F)cc1)c2[C@H]1CC(c2ccc(Cl)cc2)=NC(=S)N1 ZINC000095590259 563190001 /nfs/dbraw/zinc/19/00/01/563190001.db2.gz ZPCIKWDXGUTROP-HXUWFJFHSA-N 0 0 448.954 5.662 1 0 IKAFRN CC(C)(C)c1cc(-c2ccc([C@]3(O)CN4CCCC[C@@H]4CO3)cc2)cc(C(C)(C)C)c1O ZINC000095590599 563190123 /nfs/dbraw/zinc/19/01/23/563190123.db2.gz NSTVWXQNDPCSER-DFHRPNOPSA-N 0 0 437.624 5.684 1 0 IKAFRN Cc1nn(C)c(Oc2ccc(Cl)cc2Cl)c1C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000095591097 563190204 /nfs/dbraw/zinc/19/02/04/563190204.db2.gz CIOWDFAFTWBSLR-GOSISDBHSA-N 0 0 445.350 5.590 1 0 IKAFRN CC(C)(C)C(=O)Nc1nc2[nH]c3cccc(Cl)c3c2c(Nc2ccc(Cl)cc2)n1 ZINC000095592183 563190463 /nfs/dbraw/zinc/19/04/63/563190463.db2.gz AKMYYMMBISZQDW-UHFFFAOYSA-N 0 0 428.323 6.146 1 0 IKAFRN O=C(C[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000095593191 563190639 /nfs/dbraw/zinc/19/06/39/563190639.db2.gz OUMUCMXCZQTAMO-NRFANRHFSA-N 0 0 429.335 5.237 1 0 IKAFRN Cn1cccc1C(=O)Nc1cccc(-c2csc3c2c(N)ncc3-c2cccnc2)c1 ZINC000095593368 563190683 /nfs/dbraw/zinc/19/06/83/563190683.db2.gz VLDLQNFDWLSMIS-UHFFFAOYSA-N 0 0 425.517 5.198 1 0 IKAFRN CCOC(=O)C1=CN(c2ccc(Cl)cc2)C=C(C(=O)OCC)C1c1ccc(Cl)cc1 ZINC000095594265 563190940 /nfs/dbraw/zinc/19/09/40/563190940.db2.gz GFQYOGGKVRWWGZ-UHFFFAOYSA-N 0 0 446.330 5.491 1 0 IKAFRN C[C@@H]1C[C@H](C)CN(C(=O)C[C@@H](c2ccc3c(c2)OCO3)c2c(O)ccc3ccccc32)C1 ZINC000095594218 563190968 /nfs/dbraw/zinc/19/09/68/563190968.db2.gz GHIZAPNFTRDBKZ-SVMVAKDDSA-N 0 0 431.532 5.301 1 0 IKAFRN CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095594481 563191009 /nfs/dbraw/zinc/19/10/09/563191009.db2.gz DOMGCPLUUDIPFX-JOCHJYFZSA-N 0 0 433.552 5.275 1 0 IKAFRN CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000095594547 563191048 /nfs/dbraw/zinc/19/10/48/563191048.db2.gz VTFQOGKSOUWGKE-JOCHJYFZSA-N 0 0 432.568 5.010 1 0 IKAFRN CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1cccnc1)c1ccc(C(C)(C)C)cc1 ZINC000095594761 563191111 /nfs/dbraw/zinc/19/11/11/563191111.db2.gz NSXLEFPJMRRSKS-QHCPKHFHSA-N 0 0 444.579 5.077 1 0 IKAFRN Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1Br ZINC000095594654 563191132 /nfs/dbraw/zinc/19/11/32/563191132.db2.gz WIJJITZBXIGIKW-UHFFFAOYSA-N 0 0 445.386 5.347 1 0 IKAFRN Clc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000095595773 563191386 /nfs/dbraw/zinc/19/13/86/563191386.db2.gz HRCMMCKHIBKIGN-RCZVLFRGSA-N 0 0 441.987 6.992 1 0 IKAFRN Cc1ccoc1C(=O)N(c1ccc(C(C)(C)C)cc1)[C@H](C(=O)NC(C)(C)C)c1cccnc1 ZINC000095596088 563191444 /nfs/dbraw/zinc/19/14/44/563191444.db2.gz OTCQBNDSWCQTCE-QFIPXVFZSA-N 0 0 447.579 5.583 1 0 IKAFRN Brc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1 ZINC000095596405 563191541 /nfs/dbraw/zinc/19/15/41/563191541.db2.gz ZJOOVKMQLNNNOZ-UHFFFAOYSA-N 0 0 431.359 5.039 1 0 IKAFRN CC(C)C1=C(C(N)=O)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 ZINC000095596395 563191543 /nfs/dbraw/zinc/19/15/43/563191543.db2.gz GEYJYBGVKMFBLD-UGKGYDQZSA-N 0 0 446.403 5.721 1 0 IKAFRN Cc1nc2ccc(C(=O)N(C)Cc3ccccc3)cc2n2c1nnc2-c1ccccc1Cl ZINC000095596797 563191669 /nfs/dbraw/zinc/19/16/69/563191669.db2.gz YHJHPCMSWXKLIU-UHFFFAOYSA-N 0 0 441.922 5.179 1 0 IKAFRN COc1cc(/C=C2\CCCN3CC[C@@H](c4ccccc4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095597697 563191979 /nfs/dbraw/zinc/19/19/79/563191979.db2.gz DQOYEQSNDJFFKT-NLZIUFDSSA-N 0 0 428.536 5.144 1 0 IKAFRN O=C(Nc1ccc(-n2ncc3ccncc32)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000095601069 563192726 /nfs/dbraw/zinc/19/27/26/563192726.db2.gz LKFSWKIXMPOJCC-UHFFFAOYSA-N 0 0 431.805 5.737 1 0 IKAFRN O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000095601455 563192802 /nfs/dbraw/zinc/19/28/02/563192802.db2.gz IDIQVEYPGKHMSA-UHFFFAOYSA-N 0 0 432.873 6.703 1 0 IKAFRN O=C([C@@H](Nc1ccccc1F)c1cc2ccccc2s1)N1CCC[C@@H]1c1cccnc1 ZINC000095601525 563192862 /nfs/dbraw/zinc/19/28/62/563192862.db2.gz GWVXTQJIYAYAEZ-QPPBQGQZSA-N 0 0 431.536 5.952 1 0 IKAFRN Cc1ccc(C2=C[C@H](c3c4ccccc4[nH]c3-c3ccccc3)c3c(=O)[nH]cnc3O2)cc1 ZINC000095601537 563192863 /nfs/dbraw/zinc/19/28/63/563192863.db2.gz KGYGJYNFDMHNFK-OAQYLSRUSA-N 0 0 431.495 5.792 1 0 IKAFRN O=C([C@@H](Nc1ccccc1F)c1cc2ccccc2s1)N1CCC[C@H]1c1cccnc1 ZINC000095601527 563192866 /nfs/dbraw/zinc/19/28/66/563192866.db2.gz GWVXTQJIYAYAEZ-URXFXBBRSA-N 0 0 431.536 5.952 1 0 IKAFRN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000095601733 563192979 /nfs/dbraw/zinc/19/29/79/563192979.db2.gz HRXGXBGJVNUGSX-GFCCVEGCSA-N 0 0 428.275 5.603 1 0 IKAFRN O=C([C@@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccccn1 ZINC000095602107 563193076 /nfs/dbraw/zinc/19/30/76/563193076.db2.gz IGOIUKBPLOVGEE-VXKWHMMOSA-N 0 0 443.444 5.756 1 0 IKAFRN O=C([C@@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccncc1 ZINC000095602161 563193154 /nfs/dbraw/zinc/19/31/54/563193154.db2.gz RCJJCOWBDGKVAY-YADHBBJMSA-N 0 0 443.444 5.756 1 0 IKAFRN Cc1ccc(C2=C[C@@H](c3c4ccccc4[nH]c3-c3ccccc3)c3c(N)nc(=O)[nH]c3O2)cc1 ZINC000095602496 563193206 /nfs/dbraw/zinc/19/32/06/563193206.db2.gz RXRKMCXPGQHDLD-FQEVSTJZSA-N 0 0 446.510 5.374 1 0 IKAFRN CCCCCCc1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1 ZINC000095603640 563193470 /nfs/dbraw/zinc/19/34/70/563193470.db2.gz JPVMFRGCZUPZII-UHFFFAOYSA-N 0 0 436.556 5.070 1 0 IKAFRN CSCC[C@@H](C(=O)Nc1c(C)cccc1C)n1c2ccccc2nc1-c1cc(C)cs1 ZINC000095603708 563193549 /nfs/dbraw/zinc/19/35/49/563193549.db2.gz KDZOVHAYFRHJEH-NRFANRHFSA-N 0 0 449.645 6.623 3 0 IKAFRN O=C([C@H](Nc1ccccc1F)c1ccc2c(c1)CCO2)N1CCC[C@H]1c1ccccc1F ZINC000095603894 563193589 /nfs/dbraw/zinc/19/35/89/563193589.db2.gz ZBKVVXBIRJNYOS-UKILVPOCSA-N 0 0 434.486 5.417 1 0 IKAFRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3nccs3)nc2c1 ZINC000095604956 563193868 /nfs/dbraw/zinc/19/38/68/563193868.db2.gz BNOKIFBZSXYOCT-JTQLQIEISA-N 0 0 434.304 5.664 1 0 IKAFRN CC[C@@H](C(=O)NC(C)(C)C)n1c2ccccc2nc1C(c1ccccc1)c1ccccc1 ZINC000095604918 563193899 /nfs/dbraw/zinc/19/38/99/563193899.db2.gz VHFDKMLBWZHFAV-QHCPKHFHSA-N 0 0 425.576 6.082 3 0 IKAFRN O=C1C[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CCN1 ZINC000095605045 563193901 /nfs/dbraw/zinc/19/39/01/563193901.db2.gz HBDJTAXFKXXUNZ-IBGZPJMESA-N 0 0 431.376 5.089 1 0 IKAFRN C[C@@H](Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000095605563 563194051 /nfs/dbraw/zinc/19/40/51/563194051.db2.gz XQDNYWOUGDXBJB-OAHLLOKOSA-N 0 0 443.890 6.102 1 0 IKAFRN O=C([C@H](Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1F ZINC000095605537 563194062 /nfs/dbraw/zinc/19/40/62/563194062.db2.gz BQIBFWUVGIECIX-DHIUTWEWSA-N 0 0 442.456 6.361 1 0 IKAFRN Nc1nc(=S)[nH]c2c1[C@@H](c1c3ccccc3[nH]c1-c1ccccc1)C=C(c1ccccc1)O2 ZINC000095605834 563194130 /nfs/dbraw/zinc/19/41/30/563194130.db2.gz WSIMIJIBUYBZOD-LJQANCHMSA-N 0 0 448.551 6.435 1 0 IKAFRN CCOC(=O)CCCc1ccc(-n2c(CC)nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000095615228 563194264 /nfs/dbraw/zinc/19/42/64/563194264.db2.gz UCOLADYLQKIIGE-UHFFFAOYSA-N 0 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C[C@@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1csc2ccccc21 ZINC000045260063 581092472 /nfs/dbraw/zinc/09/24/72/581092472.db2.gz GORYZYUNDWMPJM-GDKKVTFASA-N 0 0 444.575 6.841 1 0 IKAFRN COc1cc(Nc2nc3cccc(-c4ccc5ncccc5c4)c3o2)cc(OC)c1OC ZINC000049793052 581097647 /nfs/dbraw/zinc/09/76/47/581097647.db2.gz VVOLBRCSXARCDJ-UHFFFAOYSA-N 0 0 427.460 5.812 1 0 IKAFRN C/C(=C/CCC(C)C)[C@H]1CC[C@@]2(CO)[C@@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]12C ZINC000034518266 291393764 /nfs/dbraw/zinc/39/37/64/291393764.db2.gz HIPRLDMIQCTXHV-MIWVKBIMSA-N 0 0 428.745 8.417 1 0 biogenic,in-vitro IKAFRN CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(C)CCC[C@@](C)(C3CCCCC3)[C@H]12 ZINC000085542569 291395667 /nfs/dbraw/zinc/39/56/67/291395667.db2.gz VHQQLHVMFIVMMO-HLDHPHNTSA-N 0 0 446.628 5.345 1 0 biogenic,in-vitro IKAFRN CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CCCC(C)C)CCCC(C)(C)[C@H]12 ZINC000085542559 291396022 /nfs/dbraw/zinc/39/60/22/291396022.db2.gz NNOBJEANDPELRV-SXUGPRQNSA-N 0 0 448.644 5.591 1 0 biogenic,in-vitro IKAFRN CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000071618339 291399175 /nfs/dbraw/zinc/39/91/75/291399175.db2.gz PSZDOEIIIJFCFE-VQNOTUTQSA-N 0 0 442.728 7.141 1 0 biogenic,in-vitro IKAFRN CC1(C)[C@@H]2CC=C3C[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@H]3[C@@]2(C)CC[C@@H]1O ZINC000095912226 291399639 /nfs/dbraw/zinc/39/96/39/291399639.db2.gz FMUNNDDBCLRMSL-ADMKBHOJSA-N 0 0 442.728 7.140 1 0 biogenic,in-vitro IKAFRN CC1(C)C=C2[C@@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)CC1 ZINC000069482012 291397321 /nfs/dbraw/zinc/39/73/21/291397321.db2.gz UZLLNBSRSOKCBT-KGMSDIAHSA-N 0 0 442.728 7.140 1 0 biogenic,in-vitro IKAFRN CC(C)[C@H](C)CC[C@@H](C)[C@@]1(C)CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070455162 291397329 /nfs/dbraw/zinc/39/73/29/291397329.db2.gz HLHINVPFTSPXPF-YUGQWEJASA-N 0 0 430.717 6.996 1 0 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ZINC000004238195 132270996 /nfs/dbraw/zinc/27/09/96/132270996.db2.gz YSAACYLUHRCPSI-UHFFFAOYSA-N 0 0 426.560 6.235 1 0 IKAFRN Cc1c(Cl)cccc1NC(=O)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000008594567 132284636 /nfs/dbraw/zinc/28/46/36/132284636.db2.gz IGSIIIAIZXFHIM-UHFFFAOYSA-N 0 0 438.940 5.440 1 0 IKAFRN Clc1cccc(N2CCN(C[C@@H]3C[C@@H]4c5ccccc5Cc5ccccc5N4O3)CC2)c1 ZINC000013437031 132346879 /nfs/dbraw/zinc/34/68/79/132346879.db2.gz OZETYYSIKGRYTO-RPLLCQBOSA-N 0 0 445.994 5.318 1 0 IKAFRN CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCC(=O)OC(CO)CO ZINC000150374730 574419397 /nfs/dbraw/zinc/41/93/97/574419397.db2.gz WMUDCZHZTVTGRX-JHMRGWINSA-N 0 0 430.629 6.141 1 0 endogenous,in-man IKAFRN Nc1nc(=S)[nH]c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1-c1ccc(Cl)cc1 ZINC000001620589 555706336 /nfs/dbraw/zinc/70/63/36/555706336.db2.gz LTTYZUGVBVLZBL-UHFFFAOYSA-N 0 0 425.728 5.601 1 0 IKAFRN CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@H]2[C@@H]1C ZINC000142641328 560045374 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562922148 /nfs/dbraw/zinc/92/21/48/562922148.db2.gz HLSGCMJRDCUPBO-CRYYWNKWSA-N 0 0 434.532 5.520 1 0 IKAFRN COc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)[O-])cc3C)cc2)cc1CCC[NH+](C)C ZINC000001484269 562922150 /nfs/dbraw/zinc/92/21/50/562922150.db2.gz ARUYHNGXUSSPTH-UHFFFAOYSA-N 0 0 446.547 5.115 1 0 IKAFRN CC(C)N1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)CCC2CCCCC2)C1=O ZINC000001485228 562922169 /nfs/dbraw/zinc/92/21/69/562922169.db2.gz LPDRKEPSQDAWIV-AREMUKBSSA-N 0 0 431.580 5.082 1 0 IKAFRN Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)cc1)CC2 ZINC000001489140 562922299 /nfs/dbraw/zinc/92/22/99/562922299.db2.gz ZSBXYKUYFWLPSO-UHFFFAOYSA-N 0 0 427.426 5.582 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C2CCCCCC2)c(C)c1 ZINC000001544333 562922758 /nfs/dbraw/zinc/92/27/58/562922758.db2.gz JPGTXJNWFGDWFV-UHFFFAOYSA-N 0 0 440.631 8.036 1 0 IKAFRN COc1ccc(-c2[nH]c3cc(OC)ccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001550561 562922847 /nfs/dbraw/zinc/92/28/47/562922847.db2.gz PMGCVNJAFPSBDK-UHFFFAOYSA-N 0 0 447.487 5.109 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)OC(c1ccccc1)c1ccccc1 ZINC000001554840 562923033 /nfs/dbraw/zinc/92/30/33/562923033.db2.gz JNXSPGDCZYJBOM-UHFFFAOYSA-N 0 0 429.560 6.595 1 0 IKAFRN C[C@@H]1C(=O)CC[C@@H]1C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1 ZINC000001618150 562923194 /nfs/dbraw/zinc/92/31/94/562923194.db2.gz FRLFUBHLIMXIRF-CVDCTZTESA-N 0 0 436.667 7.632 1 0 IKAFRN CC(C)c1ccc(O)c(Cc2cc(C(C)C)cc(Cc3cc(C(C)C)ccc3O)c2O)c1 ZINC000001624070 562923239 /nfs/dbraw/zinc/92/32/39/562923239.db2.gz YQERQEMYOWRTEC-UHFFFAOYSA-N 0 0 432.604 7.355 1 0 IKAFRN COc1cc2c(Cc3cc(OCc4ccccc4)ccc3N)nccc2c(OC)c1OC ZINC000001619777 562923253 /nfs/dbraw/zinc/92/32/53/562923253.db2.gz FGNZZSQEGAKWMZ-UHFFFAOYSA-N 0 0 430.504 5.013 1 0 IKAFRN O=C1N=C2N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)N2Sc2ccccc21 ZINC000001626571 562923342 /nfs/dbraw/zinc/92/33/42/562923342.db2.gz ZHBHYEIKYATPHA-UHFFFAOYSA-N 0 0 439.327 5.694 1 0 IKAFRN O=C(c1c2ccccc2n(C(=O)c2ccccc2)c1CNCc1ccccc1)c1ccccc1 ZINC000001633584 562923368 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CC(C)(O)c1cccc(CN(C[C@@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490920 562990349 /nfs/dbraw/zinc/99/03/49/562990349.db2.gz OZYIHHXXMLAIJB-HSZRJFAPSA-N 0 0 445.481 5.636 1 0 IKAFRN C[S@@](=O)c1ccc(CCSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000013491676 562990527 /nfs/dbraw/zinc/99/05/27/562990527.db2.gz NPADBIOEWOOPSK-PMERELPUSA-N 0 0 437.565 5.350 1 0 IKAFRN CC(C)CCNC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1 ZINC000013493162 562990812 /nfs/dbraw/zinc/99/08/12/562990812.db2.gz JTDUUKCQGSVPCD-UHFFFAOYSA-N 0 0 430.548 5.556 1 0 IKAFRN O=C(NN1CCCCC1)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000013493229 562990818 /nfs/dbraw/zinc/99/08/18/562990818.db2.gz INTQROPTEPGCAB-UHFFFAOYSA-N 0 0 449.769 5.630 1 0 IKAFRN Nc1sc2c(c1C(=O)c1ccc(I)c3ccccc13)CCCC2 ZINC000013493368 562990922 /nfs/dbraw/zinc/99/09/22/562990922.db2.gz RGCFOZBVPOZDSQ-UHFFFAOYSA-N 0 0 433.314 5.198 1 0 IKAFRN C[S@@](=O)c1ccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccnc(F)c3)[nH]2)cc1 ZINC000013524482 562991471 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0 IKAFRN Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)NCc4ccccc4)sc3c2)c(C)c1 ZINC000013534015 562992283 /nfs/dbraw/zinc/99/22/83/562992283.db2.gz OPSZHFXGDMKFKH-UHFFFAOYSA-N 0 0 444.560 5.796 1 0 IKAFRN Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 ZINC000013534567 562992298 /nfs/dbraw/zinc/99/22/98/562992298.db2.gz FKPSXZYDHTYIDN-UHFFFAOYSA-N 0 0 439.490 5.397 1 0 IKAFRN Oc1cc(Br)cc2c1Oc1cc(Br)cc(Br)c1O2 ZINC000013535712 562992421 /nfs/dbraw/zinc/99/24/21/562992421.db2.gz XZPITRJUKODSMI-UHFFFAOYSA-N 0 0 436.881 5.578 1 0 in-vivo IKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(Cl)ncn3)sc2c1 ZINC000013536630 562992435 /nfs/dbraw/zinc/99/24/35/562992435.db2.gz ONWCJIJBJNGEAY-UHFFFAOYSA-N 0 0 430.320 5.697 1 0 IKAFRN Cc1ccc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2c1 ZINC000013538334 562992588 /nfs/dbraw/zinc/99/25/88/562992588.db2.gz BBTYGAHSFKLNKM-UHFFFAOYSA-N 0 0 439.519 5.085 1 0 IKAFRN COc1cc(Nc2ncnc3c2Cc2cc(OC)c(OC)cc2N3)c(Cl)cc1Cl ZINC000013538124 562992602 /nfs/dbraw/zinc/99/26/02/562992602.db2.gz OASGPOFUPJRABR-UHFFFAOYSA-N 0 0 433.295 5.201 1 0 IKAFRN COCCOc1cc2c(cc1OC)Cc1c(Nc3ccc(Cl)cc3Cl)ncnc1N2 ZINC000013538137 562992653 /nfs/dbraw/zinc/99/26/53/562992653.db2.gz KSKVKJBGARBSTO-UHFFFAOYSA-N 0 0 447.322 5.209 1 0 IKAFRN CC(C)=CCC[C@H](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 ZINC000013547379 562992838 /nfs/dbraw/zinc/99/28/38/562992838.db2.gz CAHGCLMLTWQZNJ-KTPLHHLWSA-N 0 0 426.729 8.479 1 0 IKAFRN CCCCN(c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21)C(CC)CC ZINC000013553424 562992870 /nfs/dbraw/zinc/99/28/70/562992870.db2.gz VAUWQLIVQZLRBP-UHFFFAOYSA-N 0 0 433.427 7.046 1 0 IKAFRN Cc1ccc(=N)n(CCCCCCCCCCC(=O)Nc2ccc(-c3ccccc3)nn2)n1 ZINC000013553533 562992877 /nfs/dbraw/zinc/99/28/77/562992877.db2.gz LSHJATOYSSYGNI-UHFFFAOYSA-N 0 0 446.599 5.278 1 0 IKAFRN CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(CCC)c21 ZINC000013553395 562992929 /nfs/dbraw/zinc/99/29/29/562992929.db2.gz PDQROBSEKWMAGH-UHFFFAOYSA-N 0 0 447.454 7.530 1 0 IKAFRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(NCc2ccccc2)nc1C(F)(F)F ZINC000013555176 562993113 /nfs/dbraw/zinc/99/31/13/562993113.db2.gz IZAOYCLUCVPROS-UHFFFAOYSA-N 0 0 441.240 5.667 1 0 IKAFRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(Nc2ccccc2)nc1C(F)(F)F ZINC000013555174 562993117 /nfs/dbraw/zinc/99/31/17/562993117.db2.gz WNQPQTJPJTYUKX-UHFFFAOYSA-N 0 0 427.213 5.798 1 0 IKAFRN CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000013557973 562993517 /nfs/dbraw/zinc/99/35/17/562993517.db2.gz PNXHVDUOXQXTAS-UHFFFAOYSA-N 0 0 440.465 6.508 1 0 IKAFRN CCCCCCc1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2Cl)n1 ZINC000013561275 562994356 /nfs/dbraw/zinc/99/43/56/562994356.db2.gz ZJEIDYSHVWGVHM-UHFFFAOYSA-N 0 0 443.205 7.671 1 0 IKAFRN O=C1O[C@@]2(CO)C/C1=C\CCCCCCCCCCCCCCCCCCC(=O)OC2 ZINC000013581359 562994704 /nfs/dbraw/zinc/99/47/04/562994704.db2.gz HNXWOWOQJDHXMT-JNCGISBCSA-N 0 0 436.633 6.169 1 0 IKAFRN FC(F)(F)c1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccccc3)n2)cc1 ZINC000013582693 562994756 /nfs/dbraw/zinc/99/47/56/562994756.db2.gz DNLDFDFYEYJYCL-UHFFFAOYSA-N 0 0 432.409 5.616 1 0 IKAFRN Cc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3ccc(F)cc3)nn2n1 ZINC000013582755 562994791 /nfs/dbraw/zinc/99/47/91/562994791.db2.gz CYHPFZLFUXOCJJ-UHFFFAOYSA-N 0 0 432.409 5.323 1 0 IKAFRN FC(F)(F)c1cccc(Nc2nccc(-c3cnn4nc(-c5ccccc5)ccc34)n2)c1 ZINC000013582649 562994806 /nfs/dbraw/zinc/99/48/06/562994806.db2.gz WZYFWJBVNQRGCX-UHFFFAOYSA-N 0 0 432.409 5.616 1 0 IKAFRN CCc1nc2c(n1Cc1ccccc1C)C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000013582823 562994827 /nfs/dbraw/zinc/99/48/27/562994827.db2.gz QARLNMRSHHTPNP-UHFFFAOYSA-N 0 0 429.351 5.290 1 0 IKAFRN CCCC(CCC)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(C(C)C)cc1Cl ZINC000013582845 562994829 /nfs/dbraw/zinc/99/48/29/562994829.db2.gz WYTPNUWMJGEEIW-UHFFFAOYSA-N 0 0 431.024 6.545 1 0 IKAFRN O=C(NC1CCCCC1)Oc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1 ZINC000013583474 562994909 /nfs/dbraw/zinc/99/49/09/562994909.db2.gz BWNJWTTWUNWDDY-UHFFFAOYSA-N 0 0 436.552 6.196 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OCCO)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013583431 562994948 /nfs/dbraw/zinc/99/49/48/562994948.db2.gz OSQNHRLOGSFEBV-XWEDIQBQSA-N 0 0 432.733 7.485 1 0 IKAFRN Oc1ccc(-c2c(-c3ccccc3)nn3c2nc(-c2ccccc2)cc3-c2ccccc2)cc1 ZINC000013585030 562995007 /nfs/dbraw/zinc/99/50/07/562995007.db2.gz BHTJOJZXSVMLPT-UHFFFAOYSA-N 0 0 439.518 7.103 1 0 IKAFRN O=C([O-])c1ccccc1OCC[NH+]1CCC(c2cn(CC3CC3)c3cc(F)ccc23)CC1 ZINC000013586262 562995204 /nfs/dbraw/zinc/99/52/04/562995204.db2.gz PKDGHGYNWFKPAF-UHFFFAOYSA-N 0 0 436.527 5.147 1 0 IKAFRN O=C([O-])c1cccc(C[NH+]2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)c1 ZINC000013586286 562995232 /nfs/dbraw/zinc/99/52/32/562995232.db2.gz IZCYYVKHBBLUDY-UHFFFAOYSA-N 0 0 430.573 5.829 1 0 IKAFRN O=C(Cc1csc2ccccc12)NC[C@H]1CCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000013586765 562995466 /nfs/dbraw/zinc/99/54/66/562995466.db2.gz ZGXXRCHPJRBHFM-QGZVFWFLSA-N 0 0 433.404 5.531 1 0 IKAFRN Nc1cc(F)ccc1Sc1ccc2c(n1)CNC(=O)N2c1c(Cl)cccc1Cl ZINC000013587243 562995630 /nfs/dbraw/zinc/99/56/30/562995630.db2.gz NWCGTMMTILRVAV-UHFFFAOYSA-N 0 0 435.311 5.622 1 0 IKAFRN CCCN(CC1CC1)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C ZINC000013587328 562995669 /nfs/dbraw/zinc/99/56/69/562995669.db2.gz GSWNCDGHDVBUQH-UHFFFAOYSA-N 0 0 432.804 6.418 1 0 IKAFRN CCCN(CC1CC1)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1CC ZINC000013587335 562995689 /nfs/dbraw/zinc/99/56/89/562995689.db2.gz MUDJIHASHWSZBT-UHFFFAOYSA-N 0 0 446.831 6.672 1 0 IKAFRN C[C@@H]1Cc2ccc(O)cc2CN1Cc1ccccc1C(=O)NCC/C=C/c1ccccc1 ZINC000013589146 562996238 /nfs/dbraw/zinc/99/62/38/562996238.db2.gz ARWAMBQDACJJIL-FTUXVVSKSA-N 0 0 426.560 5.172 1 0 IKAFRN COCOc1c(-c2ccccc2)cccc1-c1ccc(C(=O)OC[C@@H](C)CC(C)(C)C)cc1 ZINC000013603836 562997043 /nfs/dbraw/zinc/99/70/43/562997043.db2.gz XZCBWCFFMKCRKN-NRFANRHFSA-N 0 0 446.587 7.232 1 0 IKAFRN COCOc1cc(C(C)(C)C)ccc1-c1ccc(C(=O)OC[C@@H](C)CC(C)(C)C)cc1 ZINC000013603807 562997070 /nfs/dbraw/zinc/99/70/70/562997070.db2.gz QEFZDJLXQKYPDY-IBGZPJMESA-N 0 0 426.597 6.863 1 0 IKAFRN CCCc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 ZINC000013610240 562997779 /nfs/dbraw/zinc/99/77/79/562997779.db2.gz OJVFFZLXISLIFZ-UHFFFAOYSA-N 0 0 425.536 5.473 1 0 IKAFRN CCCC[C@@H](c1ccccc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 ZINC000013610660 562997790 /nfs/dbraw/zinc/99/77/90/562997790.db2.gz JAMCOMRRNHWERW-NRFANRHFSA-N 0 0 426.992 6.292 1 0 IKAFRN CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4ccccc4)c3)o2)c1 ZINC000013611337 562997863 /nfs/dbraw/zinc/99/78/63/562997863.db2.gz PKUDAUZYOFHVDW-UHFFFAOYSA-N 0 0 434.517 5.554 1 0 IKAFRN Cc1c(C(=O)NN2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013611868 562997931 /nfs/dbraw/zinc/99/79/31/562997931.db2.gz OGHUHFAJQSONNN-UHFFFAOYSA-N 0 0 449.769 5.549 1 0 IKAFRN CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)n1 ZINC000013642411 562998516 /nfs/dbraw/zinc/99/85/16/562998516.db2.gz ZXNGHKGWIDGULE-UHFFFAOYSA-N 0 0 440.124 5.785 1 0 IKAFRN CCc1[nH]c2cc(=O)ccc-2c(Oc2ccc(C=CC(=O)N(C)C)cc2)c1-c1ccccc1 ZINC000013641232 562998403 /nfs/dbraw/zinc/99/84/03/562998403.db2.gz YABZUMJRVRJHHV-SFQUDFHCSA-N 0 0 438.527 6.064 1 0 IKAFRN COc1ccc2cc([C@H](C)C(=O)NC[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)ccc2c1 ZINC000013652323 562999314 /nfs/dbraw/zinc/99/93/14/562999314.db2.gz KFXVFPUPENWSFM-JMQGSBJISA-N 0 0 447.575 5.483 1 0 IKAFRN COc1ccc2cc([C@H](C)C(=O)OCC[C@@]3(C)Cc4c(c(C)c(C)c(O)c4C)O3)ccc2c1 ZINC000013652316 562999369 /nfs/dbraw/zinc/99/93/69/562999369.db2.gz IMFCURJCHSXUPS-JMQGSBJISA-N 0 0 448.559 5.910 1 0 IKAFRN Cc1ccc(C=CC(=O)Nc2ccc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)cc1 ZINC000013659966 562999503 /nfs/dbraw/zinc/99/95/03/562999503.db2.gz LRZJSTUKMMSSKQ-JLHYYAGUSA-N 0 0 431.875 5.779 3 0 IKAFRN COc1ccc(/C=C/c2ccccc2)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013661869 562999805 /nfs/dbraw/zinc/99/98/05/562999805.db2.gz MDQJZJCSIDCKTP-BWDRDKCCSA-N 0 0 449.594 6.778 3 0 IKAFRN CC[C@H](CO)Nc1nc(-c2ccc(Cl)cc2)nc2c1c(C)c(C)n2[C@H](C)c1ccccc1 ZINC000013672267 562999979 /nfs/dbraw/zinc/99/99/79/562999979.db2.gz LDOHATZYKZRZMM-XMSQKQJNSA-N 0 0 448.998 6.161 1 0 IKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccccc2)[C@H]1O ZINC000013672984 563000109 /nfs/dbraw/zinc/00/01/09/563000109.db2.gz RREILOLKVCXRAR-JWQCQUIFSA-N 0 0 443.653 5.400 1 0 IKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccsc2)[C@H]1O ZINC000013673058 563000182 /nfs/dbraw/zinc/00/01/82/563000182.db2.gz SZAMPBIPMHQYEU-DHIUTWEWSA-N 0 0 449.682 5.461 1 0 IKAFRN CCOC(=O)c1cccc(NC(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c43)cc2)c1 ZINC000013673641 563000185 /nfs/dbraw/zinc/00/01/85/563000185.db2.gz ZPSOPISMMLGQIU-UHFFFAOYSA-N 0 0 447.520 5.070 1 0 IKAFRN Cc1c(Cc2c(Cl)cccc2Cl)nc(SCc2cccc(Cl)c2)[nH]c1=O ZINC000013677562 563000620 /nfs/dbraw/zinc/00/06/20/563000620.db2.gz VKLJKTALWZFIAP-UHFFFAOYSA-N 0 0 425.768 5.922 1 0 IKAFRN O=c1cc(N2CCOCC2)oc2c1cccc2-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013677233 563000651 /nfs/dbraw/zinc/00/06/51/563000651.db2.gz VVWZXABQRMUKSR-UHFFFAOYSA-N 0 0 443.343 5.334 1 0 IKAFRN O=C([O-])[C@@H]1CCC[N@H+](CCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000013729468 563001696 /nfs/dbraw/zinc/00/16/96/563001696.db2.gz KPZUTHNOTKBJBS-HSZRJFAPSA-N 0 0 429.560 5.182 1 0 IKAFRN CC[C@@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3c(ccc(=O)n3C)c2)c1 ZINC000013733385 563002041 /nfs/dbraw/zinc/00/20/41/563002041.db2.gz LKADLMFAUZHGIW-DEOSSOPVSA-N 0 0 438.524 5.013 1 0 IKAFRN CC[C@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3c(ccc(=O)n3C)c2)c1 ZINC000013733388 563002052 /nfs/dbraw/zinc/00/20/52/563002052.db2.gz LKADLMFAUZHGIW-XMMPIXPASA-N 0 0 438.524 5.013 1 0 IKAFRN O=C(Nc1ccc(F)cc1F)[C@@H]1c2ccccc2COc2ccc(Br)cc21 ZINC000013735086 563002240 /nfs/dbraw/zinc/00/22/40/563002240.db2.gz PZTREDYFJYGREL-HXUWFJFHSA-N 0 0 430.248 5.390 1 0 IKAFRN COC(=O)c1cccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCCC2)c1 ZINC000013736842 563002401 /nfs/dbraw/zinc/00/24/01/563002401.db2.gz QUUOEEFGCRTLIU-UHFFFAOYSA-N 0 0 436.596 6.354 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2C(F)(F)F)CCCC1 ZINC000013736824 563002403 /nfs/dbraw/zinc/00/24/03/563002403.db2.gz UOFGIKAFHLBHJU-UHFFFAOYSA-N 0 0 446.557 7.586 1 0 IKAFRN COC(=O)c1ccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCCC2)cc1 ZINC000013736844 563002416 /nfs/dbraw/zinc/00/24/16/563002416.db2.gz FSTZAGKWMBXIEB-UHFFFAOYSA-N 0 0 436.596 6.354 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000013737170 563002519 /nfs/dbraw/zinc/00/25/19/563002519.db2.gz LVYCIMBNMCLJQE-RUZDIDTESA-N 0 0 443.591 6.226 1 0 IKAFRN Cc1c(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2cc(C)ccc2n1C(=O)OC(C)(C)C ZINC000013737558 563002563 /nfs/dbraw/zinc/00/25/63/563002563.db2.gz LPNXWFSFFJWCHW-PGRDOPGGSA-N 0 0 437.565 5.023 1 0 IKAFRN O=C(Nc1ccc(F)cc1F)Nc1cnc2ccc(Cl)cc2c1-c1ccc(Cl)cc1 ZINC000013737637 563002592 /nfs/dbraw/zinc/00/25/92/563002592.db2.gz SZIGAGNHDUNQOQ-UHFFFAOYSA-N 0 0 444.268 7.131 1 0 IKAFRN COc1ccccc1-c1c(NC(=O)Nc2ccc(F)cc2F)cnc2ccc(Cl)cc21 ZINC000013737639 563002600 /nfs/dbraw/zinc/00/26/00/563002600.db2.gz XDEWGXGKJLWMTJ-UHFFFAOYSA-N 0 0 439.849 6.486 1 0 IKAFRN O=C([O-])[C@@H]1CCC[N@H+](CCSC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000013737911 563002631 /nfs/dbraw/zinc/00/26/31/563002631.db2.gz JRHIZITXMGMVQP-JOCHJYFZSA-N 0 0 431.601 5.508 1 0 IKAFRN O=C([O-])[C@H]1CCC[N@H+](CCSC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000013737912 563002715 /nfs/dbraw/zinc/00/27/15/563002715.db2.gz JRHIZITXMGMVQP-QFIPXVFZSA-N 0 0 431.601 5.508 1 0 IKAFRN O=C1N[C@H](Cc2c[nH]c3ccccc23)CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013740636 563003183 /nfs/dbraw/zinc/00/31/83/563003183.db2.gz JBVZKIPJQKKQCY-MRXNPFEDSA-N 0 0 441.375 5.342 1 0 IKAFRN CN(Cc1ccccc1Cl)C(=O)Nc1c(-c2ccc(F)cc2)c2ccccc2c(=O)n1C ZINC000013742619 563003488 /nfs/dbraw/zinc/00/34/88/563003488.db2.gz JZDPXZLJGCVRBD-UHFFFAOYSA-N 0 0 449.913 5.662 1 0 IKAFRN Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3NC(=O)C2)cc1 ZINC000013743141 563003588 /nfs/dbraw/zinc/00/35/88/563003588.db2.gz OOHMNGFEBWKEFY-UHFFFAOYSA-N 0 0 436.302 5.499 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2[nH]c(Cl)c(Br)c2-c2ccc(F)cc2)cc1 ZINC000013743577 563003692 /nfs/dbraw/zinc/00/36/92/563003692.db2.gz MLPPOAYZOPVCEA-UHFFFAOYSA-N 0 0 428.710 5.307 1 0 IKAFRN Cc1cc(C)c(NC(=O)C(C)(C)CCCOc2ccc(Cl)cc2)c2c1CC(C)(C)O2 ZINC000013747636 563004227 /nfs/dbraw/zinc/00/42/27/563004227.db2.gz FYXLVCUUWHWWMW-UHFFFAOYSA-N 0 0 429.988 6.494 1 0 IKAFRN O=C(N[C@@H]1c2cc(O)ccc2CC[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 ZINC000013755678 563004275 /nfs/dbraw/zinc/00/42/75/563004275.db2.gz ADPGNHDXCHTRRQ-UHSQPCAPSA-N 0 0 449.550 5.817 1 0 IKAFRN O=C(N[C@H]1c2cccc(O)c2CC[C@@H]1c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000013755668 563004297 /nfs/dbraw/zinc/00/42/97/563004297.db2.gz HHUIOKBNOWGMED-FUFSCUOVSA-N 0 0 433.551 6.112 1 0 IKAFRN COc1c(Cl)cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000013755793 563004316 /nfs/dbraw/zinc/00/43/16/563004316.db2.gz FHVXNQKGIKQOCB-UHFFFAOYSA-N 0 0 444.286 5.262 1 0 IKAFRN O=C(N[C@@H]1c2ccccc2CC[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 ZINC000013755660 563004324 /nfs/dbraw/zinc/00/43/24/563004324.db2.gz ONRZAPRVGYVXOM-XRKRLSELSA-N 0 0 433.551 6.112 1 0 IKAFRN COC(=O)[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc21)c1ccccc1 ZINC000013762404 563005367 /nfs/dbraw/zinc/00/53/67/563005367.db2.gz SDVMCAVDVDCPCS-QHCPKHFHSA-N 0 0 430.891 5.199 1 0 IKAFRN COC(=O)[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)nc2ccccc21)c1ccccc1 ZINC000013762406 563005392 /nfs/dbraw/zinc/00/53/92/563005392.db2.gz SDVMCAVDVDCPCS-HSZRJFAPSA-N 0 0 430.891 5.199 1 0 IKAFRN COC(=O)[C@H](NC(=O)c1c2ccccc2nc2c1CCCc1ccccc1-2)c1ccccc1 ZINC000013762430 563005456 /nfs/dbraw/zinc/00/54/56/563005456.db2.gz WLBJZIMRAJXAKP-RUZDIDTESA-N 0 0 436.511 5.035 1 0 IKAFRN CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Br)cn21 ZINC000013765523 563005605 /nfs/dbraw/zinc/00/56/05/563005605.db2.gz DZDWCJAJGWKTRZ-UHFFFAOYSA-N 0 0 448.792 5.608 1 0 IKAFRN CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2c(C)cc(Br)cn12 ZINC000013765534 563005619 /nfs/dbraw/zinc/00/56/19/563005619.db2.gz PJTBKEKZQLJZTM-UHFFFAOYSA-N 0 0 428.374 5.263 1 0 IKAFRN Clc1sccc1CO[C@@H]1c2cc(Cl)c(Cl)cc2S[C@@H]1Cn1ccnc1 ZINC000013775769 563005728 /nfs/dbraw/zinc/00/57/28/563005728.db2.gz YEHKRXJFFRNTNF-HZPDHXFCSA-N 0 0 431.797 6.337 1 0 IKAFRN Clc1sccc1CO[C@@H]1c2cc(Cl)cc(Cl)c2S[C@@H]1Cn1ccnc1 ZINC000013775765 563005744 /nfs/dbraw/zinc/00/57/44/563005744.db2.gz JHKCVYJSSNDGMS-HUUCEWRRSA-N 0 0 431.797 6.337 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1cccc(C(F)(F)F)c1)Oc1ccc(F)cc1-3 ZINC000013777169 563005931 /nfs/dbraw/zinc/00/59/31/563005931.db2.gz SLVCUSXEYXHJIW-XMMPIXPASA-N 0 0 439.452 7.601 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(F)c(C(F)(F)F)c1)Oc1ccccc1-3 ZINC000013777124 563005943 /nfs/dbraw/zinc/00/59/43/563005943.db2.gz BMIDVCHQTQWMNU-XMMPIXPASA-N 0 0 439.452 7.601 1 0 IKAFRN Cc1nc2c(OCc3c(Br)cccc3Br)cccn2c1Cl ZINC000013778245 563005948 /nfs/dbraw/zinc/00/59/48/563005948.db2.gz TUZRQJHJLAQVTJ-UHFFFAOYSA-N 0 0 430.527 5.400 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1cccc(Br)n1)Oc1ccccc1-3 ZINC000013777142 563005957 /nfs/dbraw/zinc/00/59/57/563005957.db2.gz XCSXILAHHMAZHI-HSZRJFAPSA-N 0 0 433.349 6.600 1 0 IKAFRN CCCCC[C@@H](C)OC(=O)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013778589 563006024 /nfs/dbraw/zinc/00/60/24/563006024.db2.gz BTEMHWUCOCXSLE-BWKNWUBXSA-N 0 0 437.624 7.168 1 0 IKAFRN CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N(C)C3CCCCC3)c2)CC1 ZINC000013779654 563006209 /nfs/dbraw/zinc/00/62/09/563006209.db2.gz OWAFKUCCSIAXDM-UHFFFAOYSA-N 0 0 449.639 5.201 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2cccc(-n3cccc3)c2)C2CCCCCC2)c(C)c1 ZINC000013779971 563006311 /nfs/dbraw/zinc/00/63/11/563006311.db2.gz JKRAEHLAXRQUIO-UHFFFAOYSA-N 0 0 429.608 7.159 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-n3ccnc3)cc2)C2CCCCCC2)c(C)c1 ZINC000013779984 563006312 /nfs/dbraw/zinc/00/63/12/563006312.db2.gz SDNMAQBVEBLPGM-UHFFFAOYSA-N 0 0 430.596 6.554 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2cc(-c3ccccc3)cs2)C2CCCCCC2)c(C)c1 ZINC000013779959 563006315 /nfs/dbraw/zinc/00/63/15/563006315.db2.gz SMGUXOGPHKEGTO-UHFFFAOYSA-N 0 0 446.660 8.097 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3cn[nH]c3)c2)C2CCCCCC2)c(C)c1 ZINC000013779977 563006330 /nfs/dbraw/zinc/00/63/30/563006330.db2.gz CGSDKKKRBKLBFS-UHFFFAOYSA-N 0 0 430.596 6.759 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2cc(-c3ccccc3)n[nH]2)C2CCCCCC2)c(C)c1 ZINC000013779962 563006331 /nfs/dbraw/zinc/00/63/31/563006331.db2.gz NBTSRXIMFPOHHJ-UHFFFAOYSA-N 0 0 430.596 6.759 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3cnn(C)c3)c2)C2CCCCCC2)c(C)c1 ZINC000013779983 563006332 /nfs/dbraw/zinc/00/63/32/563006332.db2.gz HXXOMOSNDDBFAP-UHFFFAOYSA-N 0 0 444.623 6.769 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3cc[nH]n3)cc2)C2CCCCCC2)c(C)c1 ZINC000013779974 563006338 /nfs/dbraw/zinc/00/63/38/563006338.db2.gz VEUUZNRZPWCSJQ-UHFFFAOYSA-N 0 0 430.596 6.759 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-n3nccn3)cc2)C2CCCCCC2)c(C)c1 ZINC000013779987 563006402 /nfs/dbraw/zinc/00/64/02/563006402.db2.gz JEQYJHBOYOSSEG-UHFFFAOYSA-N 0 0 431.584 5.949 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3cnco3)cc2)C2CCCCCC2)c(C)c1 ZINC000013779989 563006411 /nfs/dbraw/zinc/00/64/11/563006411.db2.gz BYBCUEOMNZXJRL-UHFFFAOYSA-N 0 0 431.580 7.024 1 0 IKAFRN CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCCO)[C@@H]1CC[C@@H](CO)C[C@@H]21 ZINC000013781100 563006553 /nfs/dbraw/zinc/00/65/53/563006553.db2.gz PHILDZBONNKMNU-UOTIDGTBSA-N 0 0 432.645 6.056 1 0 IKAFRN CCCCN(CC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 ZINC000013794444 563007116 /nfs/dbraw/zinc/00/71/16/563007116.db2.gz CGXREZRUTGTAGJ-UHFFFAOYSA-N 0 0 433.438 6.455 1 0 IKAFRN O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc(Br)c3cccc1c32 ZINC000013798154 563007551 /nfs/dbraw/zinc/00/75/51/563007551.db2.gz HOGWGSNWQJZKMX-UHFFFAOYSA-N 0 0 447.284 5.476 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1Cl)CC2 ZINC000013806155 563008396 /nfs/dbraw/zinc/00/83/96/563008396.db2.gz KAPIMFXUEAUWJN-UHFFFAOYSA-N 0 0 447.844 6.024 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 ZINC000013806178 563008398 /nfs/dbraw/zinc/00/83/98/563008398.db2.gz WBGZTUVFDUVQKY-UHFFFAOYSA-N 0 0 444.413 5.199 1 0 IKAFRN CCCCc1oc2ccccc2c1[C@@H](O)c1ccc2c(ccc(O)c2Br)c1 ZINC000013806810 563008515 /nfs/dbraw/zinc/00/85/15/563008515.db2.gz BCGNVCSLTURCPI-QHCPKHFHSA-N 0 0 425.322 6.478 1 0 IKAFRN O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NCCCn1ccnc1 ZINC000013814750 563009222 /nfs/dbraw/zinc/00/92/22/563009222.db2.gz HHRSUWNKIITCSR-RMKNXTFCSA-N 0 0 432.376 5.561 1 0 IKAFRN O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1)N1CCOCC1 ZINC000013814807 563009228 /nfs/dbraw/zinc/00/92/28/563009228.db2.gz FAEVSCKIBUDMQJ-QHHAFSJGSA-N 0 0 428.768 5.670 1 0 IKAFRN O=C(c1oc2cc(O)ccc2c1-c1cccc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000013818628 563009684 /nfs/dbraw/zinc/00/96/84/563009684.db2.gz VXWTYXLRZQASCX-UHFFFAOYSA-N 0 0 430.406 6.791 1 0 IKAFRN COc1cccc(-n2c(CCc3c[nH]c4ccc(Cl)cc34)nc3ccccc3c2=O)c1 ZINC000013821531 563010026 /nfs/dbraw/zinc/01/00/26/563010026.db2.gz YPXGXXJVOFPJJK-UHFFFAOYSA-N 0 0 429.907 5.314 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/COC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000013827404 563010580 /nfs/dbraw/zinc/01/05/80/563010580.db2.gz UANGZUAQBZHROY-SBEKHEBASA-N 0 0 426.729 9.841 1 0 IKAFRN CCCCCNC(=O)Nc1c(N)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827627 563010679 /nfs/dbraw/zinc/01/06/79/563010679.db2.gz KXFUTSZGKAAWIK-UHFFFAOYSA-N 0 0 435.572 5.222 1 0 IKAFRN CCCCc1nc2ccc(Cl)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828034 563010754 /nfs/dbraw/zinc/01/07/54/563010754.db2.gz XNZZGHBVCUYCRO-UHFFFAOYSA-N 0 0 442.954 5.928 1 0 IKAFRN CCCCCNC(=O)Nc1c(C)cccc1COCCn1cnc(-c2ccccc2)c1C ZINC000013827712 563010765 /nfs/dbraw/zinc/01/07/65/563010765.db2.gz XNWNIQDTLBPBOF-UHFFFAOYSA-N 0 0 434.584 5.695 1 0 IKAFRN C[C@]12CCC=C[C@H]1[C@@H](c1ccc(F)c(/C=C/c3ccccc3)c1)N(Cc1ccccc1)C2=O ZINC000013829664 563010929 /nfs/dbraw/zinc/01/09/29/563010929.db2.gz KAHGIBROZIDIFE-QRKDDBFTSA-N 0 0 437.558 7.052 1 0 IKAFRN C[C@]12CCC=C[C@@H]1[C@@H](c1ccc3ccccc3c1Br)N(Cc1ccccc1)C2=O ZINC000013830393 563011039 /nfs/dbraw/zinc/01/10/39/563011039.db2.gz MKUQHWSYDVIMFL-NOOIUNMQSA-N 0 0 446.388 6.658 1 0 IKAFRN COc1ccc([C@@H]2[C@@H]3C=CC[C@@H](c4ccccc4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000013830073 563011045 /nfs/dbraw/zinc/01/10/45/563011045.db2.gz HICQVDFZODOJKK-AYFYORAVSA-N 0 0 443.974 6.408 1 0 IKAFRN COc1ccc(Br)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013830556 563011123 /nfs/dbraw/zinc/01/11/23/563011123.db2.gz XIZWFWLMRNKXER-ALALXSPKSA-N 0 0 426.354 5.370 1 0 IKAFRN C[C@]12CCC=C[C@H]1[C@@H](c1ccc(/C=C/c3ccccc3)cc1F)N(Cc1ccccc1)C2=O ZINC000013830530 563011132 /nfs/dbraw/zinc/01/11/32/563011132.db2.gz ODWPOIWZPBWHQI-QRKDDBFTSA-N 0 0 437.558 7.052 1 0 IKAFRN COc1ccc(/C=C/c2ccccc2)cc1[C@@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013830575 563011138 /nfs/dbraw/zinc/01/11/38/563011138.db2.gz AKPXMNGPDDQCPF-AQIZXTDISA-N 0 0 449.594 6.922 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc3ccccc3c2)CCCC1 ZINC000013833469 563011792 /nfs/dbraw/zinc/01/17/92/563011792.db2.gz VJYPLIUNFFEKMJ-UHFFFAOYSA-N 0 0 428.620 7.720 1 0 IKAFRN COc1c(Cl)c(C)c(C=O)c(OC)c1C[C@H]1O[C@@]1(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835891 563012287 /nfs/dbraw/zinc/01/22/87/563012287.db2.gz KIVOGSVZBUZKSW-WSSJZRSTSA-N 0 0 448.987 5.376 1 0 IKAFRN COc1c(Cl)c(C)c(C=O)c(OC)c1C[C@@H]1O[C@]1(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835892 563012326 /nfs/dbraw/zinc/01/23/26/563012326.db2.gz KIVOGSVZBUZKSW-XRRVAZQYSA-N 0 0 448.987 5.376 1 0 IKAFRN Nc1nc2[nH]c(Cc3ccc4ccccc4c3)cc2c(Nc2cccc(Br)c2)n1 ZINC000013859513 563012346 /nfs/dbraw/zinc/01/23/46/563012346.db2.gz HLFVKVGHXYAKHL-UHFFFAOYSA-N 0 0 444.336 5.790 1 0 IKAFRN Nc1nc2[nH]c(Cc3ccccc3Cl)cc2c(Nc2cccc(Br)c2)n1 ZINC000013859507 563012350 /nfs/dbraw/zinc/01/23/50/563012350.db2.gz ISXTVMIMVFTRIL-UHFFFAOYSA-N 0 0 428.721 5.290 1 0 IKAFRN CCCCc1cc(C)nc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn21 ZINC000013861604 563012809 /nfs/dbraw/zinc/01/28/09/563012809.db2.gz ZRRQTSIGOATNPY-UHFFFAOYSA-N 0 0 437.540 5.257 1 0 IKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@H]2[C@@H](O)c1csc2ccccc21 ZINC000013974616 563014121 /nfs/dbraw/zinc/01/41/21/563014121.db2.gz GSBXDPQKEHNRQR-YGPDHOBYSA-N 0 0 444.575 6.706 1 0 IKAFRN COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1ccccc1F)O2)C(C)=CC(C)(C)N3 ZINC000013983614 563014237 /nfs/dbraw/zinc/01/42/37/563014237.db2.gz MPVGXDFFAWVSJS-XKZIYDEJSA-N 0 0 429.491 6.705 1 0 IKAFRN Cc1ccc(NC(=O)CSC(=S)N(Cc2ccccc2)Cc2ccccc2)c(C)c1 ZINC000013983596 563014258 /nfs/dbraw/zinc/01/42/58/563014258.db2.gz CAMNJGYEWKDDOE-UHFFFAOYSA-N 0 0 434.630 5.962 1 0 IKAFRN COc1ccc(C)cc1NC(=O)CSC(=S)N(Cc1ccccc1)c1ccccc1 ZINC000013983608 563014285 /nfs/dbraw/zinc/01/42/85/563014285.db2.gz MZLJDQSIFGMDTI-UHFFFAOYSA-N 0 0 436.602 5.667 1 0 IKAFRN COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c(CC=C(C)C)c1O ZINC000014727526 563014934 /nfs/dbraw/zinc/01/49/34/563014934.db2.gz LGSFAJAWSUQNON-QHCPKHFHSA-N 0 0 438.520 5.536 1 0 in-vitro IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(O)c1OC(C)=O ZINC000014764768 563015084 /nfs/dbraw/zinc/01/50/84/563015084.db2.gz MZWQVUHXBWQZLY-MLAGYPMBSA-N 0 0 440.624 7.711 1 0 endogenous,in-man IKAFRN CSc1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1 ZINC000014945519 563015338 /nfs/dbraw/zinc/01/53/38/563015338.db2.gz JASAPMIIPNNGGS-UHFFFAOYSA-N 0 0 428.344 6.338 1 0 IKAFRN Nc1nc(Nc2ccccc2NC(=O)c2ccccc2)ccc1C(=O)c1c(F)cccc1F ZINC000014945640 563015382 /nfs/dbraw/zinc/01/53/82/563015382.db2.gz PKISURMVDQRZBN-UHFFFAOYSA-N 0 0 444.441 5.169 1 0 IKAFRN Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(Oc5ccccc5)c4)cc3)c21 ZINC000014957327 563015913 /nfs/dbraw/zinc/01/59/13/563015913.db2.gz LUGSOVQEJNEDMV-UHFFFAOYSA-N 0 0 437.459 5.908 1 0 IKAFRN CN(C)c1nc(-c2ccccc2Cl)c2c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000014962928 563016313 /nfs/dbraw/zinc/01/63/13/563016313.db2.gz CRZAWXHEVHSCNI-UHFFFAOYSA-N 0 0 448.741 5.531 1 0 IKAFRN COc1ccc(F)cc1-c1ccc2c(c1)C([C@@H](C)OCCc1ccccc1)=CC(C)(C)N2 ZINC000014968867 563016482 /nfs/dbraw/zinc/01/64/82/563016482.db2.gz IRNANWRMLGUTHL-LJQANCHMSA-N 0 0 431.551 6.737 1 0 IKAFRN CC(=O)Nc1nc2c(cccc2Oc2cc(C3=CC[C@@H](C(F)(F)F)CC3)ncn2)s1 ZINC000014974144 563016696 /nfs/dbraw/zinc/01/66/96/563016696.db2.gz BPHBCIKYYUQAFI-CYBMUJFWSA-N 0 0 434.443 5.583 1 0 IKAFRN CC(=O)Nc1nc2c(cccc2Oc2cc(C3CCC(C(F)(F)F)CC3)ncn2)s1 ZINC000014974150 563016722 /nfs/dbraw/zinc/01/67/22/563016722.db2.gz KVKXOTNGUNPYBX-UHFFFAOYSA-N 0 0 436.459 5.673 1 0 IKAFRN Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)c12 ZINC000014975357 563016777 /nfs/dbraw/zinc/01/67/77/563016777.db2.gz HANPZZPJLVHAHR-UHFFFAOYSA-N 0 0 428.370 5.620 1 0 IKAFRN Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)c12 ZINC000014975401 563016789 /nfs/dbraw/zinc/01/67/89/563016789.db2.gz YCGPRRDWIJIAAM-UHFFFAOYSA-N 0 0 430.361 5.879 1 0 IKAFRN Nc1nsc2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12 ZINC000014975348 563016806 /nfs/dbraw/zinc/01/68/06/563016806.db2.gz UKUBGLJCBLBBTL-UHFFFAOYSA-N 0 0 428.439 6.208 1 0 IKAFRN CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(OCc4ccccc4)c23)C1(C)C ZINC000014975792 563016854 /nfs/dbraw/zinc/01/68/54/563016854.db2.gz QFMHNGZEDPTVME-UHFFFAOYSA-N 0 0 445.603 6.512 1 0 IKAFRN Cc1ccc(S(=O)(=O)NCCc2c3ccccc3[nH]c2-c2cc3ccccc3o2)cc1 ZINC000014978405 563017139 /nfs/dbraw/zinc/01/71/39/563017139.db2.gz YCHUPXVBZHHWIT-UHFFFAOYSA-N 0 0 430.529 5.411 1 0 IKAFRN CCCCCc1ccc(S(=O)(=O)NCCc2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000014978370 563017160 /nfs/dbraw/zinc/01/71/60/563017160.db2.gz RSQSXYQWUKFWHP-UHFFFAOYSA-N 0 0 446.616 6.089 1 0 IKAFRN CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12 ZINC000014979686 563017418 /nfs/dbraw/zinc/01/74/18/563017418.db2.gz MAFMPVLBSWXLHL-PDBXOOCHSA-N 0 0 436.640 7.122 1 0 IKAFRN CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]2CC=C3CO[C@@H](O)[C@@H]3[C@@]12C ZINC000015194734 563017675 /nfs/dbraw/zinc/01/76/75/563017675.db2.gz IDZDIJBVDDHIIM-XJYMFQQYSA-N 0 0 430.629 5.488 1 0 IKAFRN Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000015770518 563017991 /nfs/dbraw/zinc/01/79/91/563017991.db2.gz QXFQEQOZRWPCGR-UHFFFAOYSA-O 0 0 442.538 6.971 3 0 IKAFRN Cc1cccc(-c2oc3ccc(-c4ccc5c(c4)OCO5)cc3c2/C=C/c2ccc(N)cc2)c1 ZINC000015934071 563018372 /nfs/dbraw/zinc/01/83/72/563018372.db2.gz XIJFDDAJHIFRMM-KPKJPENVSA-N 0 0 445.518 7.557 3 0 IKAFRN O=C1CC[C@@H](OCc2ccccc2)CCN1CC[C@H](Sc1ccccc1)c1ccccc1 ZINC000015937267 563019161 /nfs/dbraw/zinc/01/91/61/563019161.db2.gz BCOBBTQPNTZLPA-VPUSJEBWSA-N 0 0 445.628 6.508 3 0 IKAFRN CCCn1c2ccccc2nc1[C@H](C)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000015937220 563019183 /nfs/dbraw/zinc/01/91/83/563019183.db2.gz GGXRSAIRUQEMBP-AWEZNQCLSA-N 0 0 441.398 6.505 3 0 IKAFRN CCCn1c2cc(Cl)c(Cl)cc2nc1[C@@H](C)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000015937217 563019186 /nfs/dbraw/zinc/01/91/86/563019186.db2.gz MICQSZUGFZHIBV-CQSZACIVSA-N 0 0 445.419 7.358 3 0 IKAFRN Oc1ccc(C[C@@H]2CNC(=S)N2CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000015952351 563020416 /nfs/dbraw/zinc/02/04/16/563020416.db2.gz GSRPFJHNIQAGEB-MRXNPFEDSA-N 0 0 448.432 5.185 3 0 IKAFRN C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(CCOCc3cc(F)cc(F)c3)CC[C@@H]12 ZINC000016052389 563020741 /nfs/dbraw/zinc/02/07/41/563020741.db2.gz AJODXHGZHBERGJ-JLYQOUBASA-N 0 0 446.578 5.824 1 0 in-vivo IKAFRN COc1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3)o2)cc1 ZINC000016217513 563020898 /nfs/dbraw/zinc/02/08/98/563020898.db2.gz PWUNHNCJTXKRNA-UHFFFAOYSA-N 0 0 426.432 5.138 1 0 IKAFRN COc1ccc(N[C@@H]2Oc3cc4c(cc3[C@H](c3cccc(OC)c3OC)[C@H]2C)OCO4)cc1 ZINC000016958616 563021214 /nfs/dbraw/zinc/02/12/14/563021214.db2.gz TVACMCACOWTLJP-SGOPFIAHSA-N 0 0 449.503 5.040 1 0 IKAFRN Cc1ccc(O[P@@]2(=O)Oc3ccc4ccccc4c3CN2c2ccc(Cl)cc2)cc1C ZINC000017188849 563021503 /nfs/dbraw/zinc/02/15/03/563021503.db2.gz IJBYXOQOQJEFNW-WJOKGBTCSA-N 0 0 449.874 7.696 1 0 IKAFRN COc1ccc([C@H](c2ccc3cccnc3c2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000017190644 563021509 /nfs/dbraw/zinc/02/15/09/563021509.db2.gz FEMXFSMHWCFXMA-DEOSSOPVSA-N 0 0 427.500 5.318 1 0 IKAFRN O=C(c1c2ccccc2n(C(=O)c2ccccc2)c1C[C@H](O)c1ccncc1)c1ccccc1 ZINC000017219074 563021758 /nfs/dbraw/zinc/02/17/58/563021758.db2.gz DMXAGYMQJXLOAU-SANMLTNESA-N 0 0 446.506 5.232 1 0 IKAFRN Clc1cc(Cl)cc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1 ZINC000017224146 563021823 /nfs/dbraw/zinc/02/18/23/563021823.db2.gz MRCFUJLJBDHFHW-RGHJJJJLSA-N 0 0 427.375 6.655 1 0 IKAFRN COc1ccc(N[C@@H]2Oc3cc4c(cc3[C@@H](c3cccc(OC)c3OC)[C@@H]2C)OCO4)cc1 ZINC000017252751 563021835 /nfs/dbraw/zinc/02/18/35/563021835.db2.gz TVACMCACOWTLJP-IHPXXTKKSA-N 0 0 449.503 5.040 1 0 IKAFRN Clc1ccc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000017224143 563021844 /nfs/dbraw/zinc/02/18/44/563021844.db2.gz ADNABTNLUBUBCI-RGHJJJJLSA-N 0 0 427.375 6.655 1 0 IKAFRN COc1cccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)c1 ZINC000020508451 563024946 /nfs/dbraw/zinc/02/49/46/563024946.db2.gz BRFUUKJGWHULIG-RPWUZVMVSA-N 0 0 448.588 5.010 1 0 IKAFRN c1ccc(-c2ccc(N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc4c(c3)CCO4)nc2)nc1 ZINC000021290022 563025313 /nfs/dbraw/zinc/02/53/13/563025313.db2.gz WBTKLEFBLWJDCP-LJAQVGFWSA-N 0 0 444.538 5.712 1 0 IKAFRN Cc1ccc2c(cccc2OCCN2CCN(Cc3cc(Cl)ccc3Cl)CC2)n1 ZINC000022933655 563026380 /nfs/dbraw/zinc/02/63/80/563026380.db2.gz NEKNPPRWLZIEGE-UHFFFAOYSA-N 0 0 430.379 5.047 1 0 IKAFRN c1c2ccccc2[nH]c1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022938630 563026585 /nfs/dbraw/zinc/02/65/85/563026585.db2.gz RFFULCJLCNPMMP-UHFFFAOYSA-N 0 0 425.576 5.092 1 0 IKAFRN CC[C@H](c1ccc(O)c(Br)c1)[C@H](CC)c1ccc(O)c(Br)c1 ZINC000025965074 563027681 /nfs/dbraw/zinc/02/76/81/563027681.db2.gz NXTVRZYDIKGZQK-ZIAGYGMSSA-N 0 0 428.164 6.310 1 0 IKAFRN COc1cccc(Cc2cn(C3CC3)c3c(F)c(-c4cc(C)nc(C)c4)c(F)cc3c2=O)c1 ZINC000025976693 563027869 /nfs/dbraw/zinc/02/78/69/563027869.db2.gz DFXLLSCMUGZDDF-UHFFFAOYSA-N 0 0 446.497 5.893 1 0 IKAFRN FC(F)(F)c1nc(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)[nH]1 ZINC000025978809 563027876 /nfs/dbraw/zinc/02/78/76/563027876.db2.gz URUGKZFZJRVDQS-UHFFFAOYSA-N 0 0 426.052 7.376 1 0 IKAFRN Cn1c(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)nc1C(F)(F)F ZINC000025980167 563027941 /nfs/dbraw/zinc/02/79/41/563027941.db2.gz GQMOZGXGZLMISC-UHFFFAOYSA-N 0 0 440.079 7.387 1 0 IKAFRN Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccccc4CO)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025980332 563027981 /nfs/dbraw/zinc/02/79/81/563027981.db2.gz ZOHHTUJUHSVOEU-UHFFFAOYSA-N 0 0 446.497 5.377 1 0 IKAFRN CC(C)SCC[C@@H](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 ZINC000026005542 563028324 /nfs/dbraw/zinc/02/83/24/563028324.db2.gz PYAWAWCFGDSSGC-NQHPJMRASA-N 0 0 446.785 8.264 1 0 IKAFRN CC1(C)O[C@H](c2ccc(Cl)cc2Cl)[C@@](Cn2cncn2)(c2ccc(Cl)cc2)O1 ZINC000026010821 563028507 /nfs/dbraw/zinc/02/85/07/563028507.db2.gz PXVVAPMIYZTHJR-UYAOXDASSA-N 0 0 438.742 5.658 1 0 IKAFRN COc1ccc(-c2cc(NC(=O)C[C@@]34CCC[C@H]3Cc3ccccc3C4)n[nH]2)cc1OC ZINC000026153573 563029008 /nfs/dbraw/zinc/02/90/08/563029008.db2.gz JRZOLZQPBHYTCP-FNZWTVRRSA-N 0 0 431.536 5.008 1 0 IKAFRN C[C@@H]1c2ccccc2NCCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026166353 563029275 /nfs/dbraw/zinc/02/92/75/563029275.db2.gz KFUYJHQXQLVYOZ-CYBMUJFWSA-N 0 0 445.407 5.765 1 0 IKAFRN C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Nc1c(F)cccc1F ZINC000026170295 563029359 /nfs/dbraw/zinc/02/93/59/563029359.db2.gz QLJFVCBDUSLZLP-OZSJGBHKSA-N 0 0 439.590 8.381 1 0 IKAFRN CCCCN(CC)c1cc(C)nc2c(-c3c(Cl)cc(Cl)cc3Cl)c(C)nn21 ZINC000026176613 563029512 /nfs/dbraw/zinc/02/95/12/563029512.db2.gz WQUDKLNARYWYOA-UHFFFAOYSA-N 0 0 425.791 6.600 1 0 IKAFRN C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Nc1c(C)cccc1C ZINC000026177556 563029583 /nfs/dbraw/zinc/02/95/83/563029583.db2.gz KWDLGKWXYVTUQI-DMGWNJAXSA-N 0 0 431.664 8.720 1 0 IKAFRN CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)C1(c2cccs2)CC1 ZINC000026177609 563029591 /nfs/dbraw/zinc/02/95/91/563029591.db2.gz BBVBVFFELLROLS-UHFFFAOYSA-N 0 0 425.554 5.137 1 0 IKAFRN CC(C)c1ccc(Cn2ccc3c2ccc2nc(N4CCc5ccccc5C4)nc(N)c32)cc1 ZINC000026179984 563029633 /nfs/dbraw/zinc/02/96/33/563029633.db2.gz DLUWADIDHYZDHM-UHFFFAOYSA-N 0 0 447.586 5.901 1 0 IKAFRN CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)N3c2cccn2C)cc1 ZINC000026187149 563029825 /nfs/dbraw/zinc/02/98/25/563029825.db2.gz SPZYJJZUZMQPMG-PLQXJYEYSA-N 0 0 425.576 5.408 1 0 IKAFRN O=c1cc(-c2cccc(-c3ccc4c(=O)cc(-c5ccccc5)oc4c3)c2)oc2ccccc12 ZINC000026251414 563030098 /nfs/dbraw/zinc/03/00/98/563030098.db2.gz VXLAUTXSAMSQIJ-UHFFFAOYSA-N 0 0 442.470 6.900 1 0 IKAFRN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCCO)CC1 ZINC000026258904 563030243 /nfs/dbraw/zinc/03/02/43/563030243.db2.gz OPSFDILCXAIBDK-OALUTQOASA-N 0 0 443.628 5.642 1 0 IKAFRN CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCSC1=S ZINC000026279069 563030636 /nfs/dbraw/zinc/03/06/36/563030636.db2.gz ZLILVRHFOMTRSA-XMMPIXPASA-N 0 0 434.548 6.027 1 0 IKAFRN O=C(c1ccccc1)c1ccc(OCc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000026280503 563030640 /nfs/dbraw/zinc/03/06/40/563030640.db2.gz JBIVFDGEOHVKPB-STZFKDTASA-N 0 0 431.538 5.826 1 0 IKAFRN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCO)CC1 ZINC000026282671 563030716 /nfs/dbraw/zinc/03/07/16/563030716.db2.gz WSVBYUINVGIAJJ-ROUUACIJSA-N 0 0 429.601 5.251 1 0 IKAFRN CCCc1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)no1 ZINC000026378070 563031240 /nfs/dbraw/zinc/03/12/40/563031240.db2.gz QGHZHFFBVRFPGR-UHFFFAOYSA-N 0 0 438.318 5.533 1 0 IKAFRN CCOP(=O)(Cc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1)OCC ZINC000026382855 563031447 /nfs/dbraw/zinc/03/14/47/563031447.db2.gz LRWUDHAWNKKBJO-UHFFFAOYSA-N 0 0 431.454 5.224 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3c[nH]cn3)c2)C2CCCCCC2)c(C)c1 ZINC000026476524 563032242 /nfs/dbraw/zinc/03/22/42/563032242.db2.gz GPPRLMQLBUNDED-UHFFFAOYSA-N 0 0 430.596 6.759 1 0 IKAFRN CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(-c4nn[nH]n4)cc3OC)c2c1 ZINC000026488519 563032462 /nfs/dbraw/zinc/03/24/62/563032462.db2.gz RWKLOFLZBJRUIT-QGZVFWFLSA-N 0 0 446.555 5.033 1 0 IKAFRN CCOc1ccc2nc(Sc3ccc(NC(=O)c4cccc(C)c4O)cc3)sc2c1 ZINC000026505047 563032902 /nfs/dbraw/zinc/03/29/02/563032902.db2.gz GBRSYRCTJQSJHF-UHFFFAOYSA-N 0 0 436.558 6.113 1 0 IKAFRN COc1cc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@@H]23)ccc1OC1CCCC1 ZINC000026507572 563032976 /nfs/dbraw/zinc/03/29/76/563032976.db2.gz MBPFNGJUEJNAOH-DHIUTWEWSA-N 0 0 432.564 5.570 1 0 IKAFRN COc1cc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@H]23)ccc1OC1CCCC1 ZINC000026507568 563032983 /nfs/dbraw/zinc/03/29/83/563032983.db2.gz MBPFNGJUEJNAOH-GOTSBHOMSA-N 0 0 432.564 5.570 1 0 IKAFRN Fc1ccc(-c2nc(-c3ccc(I)cc3)[nH]c2-c2ccncc2)cc1 ZINC000026569630 563033280 /nfs/dbraw/zinc/03/32/80/563033280.db2.gz SZXJKSQEKRRTMT-UHFFFAOYSA-N 0 0 441.247 5.549 1 0 IKAFRN CCCCC[C@@H](O)C/C=C\CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000026577326 563033834 /nfs/dbraw/zinc/03/38/34/563033834.db2.gz VJMUMERDJOESSY-JGDYFIEFSA-N 0 0 433.633 6.025 1 0 IKAFRN O=C(CCO)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026577741 563033917 /nfs/dbraw/zinc/03/39/17/563033917.db2.gz UAEBVFNMGHUVJB-UHFFFAOYSA-N 0 0 443.252 5.359 1 0 IKAFRN COc1cc(C[C@@H](C)[C@@H](C)Cc2cc(OC)c(OC)cc2C(C)=O)c(C(C)=O)cc1OC ZINC000026577887 563033921 /nfs/dbraw/zinc/03/39/21/563033921.db2.gz QCVRWFBRSZYQGD-IYBDPMFKSA-N 0 0 442.552 5.184 1 0 IKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C/C(=N\O)C4=CC(=O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000026577791 563033960 /nfs/dbraw/zinc/03/39/60/563033960.db2.gz GJRHBVPNSJKQGM-FFYIWPHZSA-N 0 0 429.645 6.008 1 0 IKAFRN C=C1N=C(c2ccccc2)C(C(=O)OCC)[C@@H](c2cc3ccccc3o2)C1C(=O)OCC ZINC000026578483 563034039 /nfs/dbraw/zinc/03/40/39/563034039.db2.gz KVVBFLRXVLJDSU-SCIJIFGBSA-N 0 0 431.488 5.771 1 0 IKAFRN FC(F)(F)c1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 ZINC000026644274 563034478 /nfs/dbraw/zinc/03/44/78/563034478.db2.gz NBHPUKZRPYQEGR-FQEVSTJZSA-N 0 0 436.264 6.842 1 0 IKAFRN CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1[C@@H]3Cc1ccccc1 ZINC000026654814 563034790 /nfs/dbraw/zinc/03/47/90/563034790.db2.gz FUINROAWUNBDCR-NRFANRHFSA-N 0 0 430.389 7.412 1 0 IKAFRN CC(C)c1cc(-c2cc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n[nH]2)cc(C(C)C)c1O ZINC000026654779 563034817 /nfs/dbraw/zinc/03/48/17/563034817.db2.gz KERHTKAAVYTESB-UHFFFAOYSA-N 0 0 448.651 7.997 1 0 IKAFRN CCCC(=O)c1cnc2c(OCCCN3CCOCC3)cccc2c1Nc1ccccc1C ZINC000026656990 563034887 /nfs/dbraw/zinc/03/48/87/563034887.db2.gz UTXDPHIOHBIVCV-UHFFFAOYSA-N 0 0 447.579 5.371 1 0 IKAFRN Clc1ccc([C@@H](c2c[nH]cc2-c2ccc(-n3cccc3)cc2)n2ccnc2)c(Cl)c1 ZINC000026656852 563034910 /nfs/dbraw/zinc/03/49/10/563034910.db2.gz AHRQMVNBLZIKPR-DEOSSOPVSA-N 0 0 433.342 6.613 1 0 IKAFRN Clc1ccc([C@H](c2c[nH]cc2-c2ccc(-n3cccc3)cc2)n2ccnc2)c(Cl)c1 ZINC000026656856 563034918 /nfs/dbraw/zinc/03/49/18/563034918.db2.gz AHRQMVNBLZIKPR-XMMPIXPASA-N 0 0 433.342 6.613 1 0 IKAFRN CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000026672239 563035353 /nfs/dbraw/zinc/03/53/53/563035353.db2.gz LUZUHPHTXSGDDD-MLRIACIZSA-N 0 0 426.729 8.169 1 0 IKAFRN c1ccc([C@H](CCc2nn[nH]n2)Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000026672774 563035391 /nfs/dbraw/zinc/03/53/91/563035391.db2.gz IEISNEYLXZRMDU-HSZRJFAPSA-N 0 0 435.531 5.286 1 0 IKAFRN CCCCCC1=C(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)Cc2cc(OC)ccc21 ZINC000026718208 563035526 /nfs/dbraw/zinc/03/55/26/563035526.db2.gz FLWSXHIXEGZFCQ-WMJZSHNHSA-N 0 0 432.608 6.064 1 0 IKAFRN CCCCOP(=O)(C[C@@H](CCc1ccccc1)OC(=O)C(C)(C)C)OCCCC ZINC000026718993 563035528 /nfs/dbraw/zinc/03/55/28/563035528.db2.gz OPSMUVNIOLOFGG-OAQYLSRUSA-N 0 0 426.534 6.404 1 0 IKAFRN c1ccc([C@@H](CCc2nn[nH]n2)Cc2cccc(OCc3ccc4ccccc4n3)c2)cc1 ZINC000026722635 563035725 /nfs/dbraw/zinc/03/57/25/563035725.db2.gz MONJECLHXLONHX-QHCPKHFHSA-N 0 0 435.531 5.286 1 0 IKAFRN Cc1c(Br)cn2c(CSCc3ccccc3)cnc2c1Br ZINC000026724141 563035771 /nfs/dbraw/zinc/03/57/71/563035771.db2.gz XQDIDNSHYIYKDA-UHFFFAOYSA-N 0 0 426.177 5.601 1 0 IKAFRN CCCCC1=C(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)CCc2cc(OC)ccc21 ZINC000026731794 563035891 /nfs/dbraw/zinc/03/58/91/563035891.db2.gz ILQOVDVYWSWICA-UEBLJOKOSA-N 0 0 432.608 6.064 1 0 IKAFRN CCOC(=O)[C@H]1CCCN(Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026731120 563035908 /nfs/dbraw/zinc/03/59/08/563035908.db2.gz OYUQYRJYOXLEBN-FQEVSTJZSA-N 0 0 449.595 5.215 1 0 IKAFRN COc1cc(OC)c(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1Cl ZINC000026738363 563036175 /nfs/dbraw/zinc/03/61/75/563036175.db2.gz DTEDZLDYNSDJLP-UHFFFAOYSA-N 0 0 431.901 5.011 1 0 IKAFRN O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccccc1Cl ZINC000026748266 563036421 /nfs/dbraw/zinc/03/64/21/563036421.db2.gz XTTCYIWYPRKROC-UHFFFAOYSA-N 0 0 433.739 5.816 1 0 IKAFRN C[C@H](CCc1ccccc1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026816383 563036749 /nfs/dbraw/zinc/03/67/49/563036749.db2.gz HDUDAKONUNAOKY-LKTGZRCUSA-N 0 0 436.724 7.911 1 0 IKAFRN CCc1c(Cc2cccc3ccccc32)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O ZINC000026841131 563037488 /nfs/dbraw/zinc/03/74/88/563037488.db2.gz CVFAKKRGDBITIT-UHFFFAOYSA-N 0 0 432.520 5.190 1 0 IKAFRN FC(F)(F)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000026938725 563037892 /nfs/dbraw/zinc/03/78/92/563037892.db2.gz PYFLVLOENQIVRZ-UHFFFAOYSA-N 0 0 432.898 7.049 1 0 IKAFRN Cc1ccc(C(=O)CSc2nc(Cc3cccc4ccccc43)c(C(C)C)c(=O)[nH]2)cc1 ZINC000026936726 563037903 /nfs/dbraw/zinc/03/79/03/563037903.db2.gz XYZGHMJTLGFEIL-UHFFFAOYSA-N 0 0 442.584 5.921 1 0 IKAFRN CCc1c(Cc2cccc3ccccc32)nc(SCC(=O)c2ccc(OC)cc2)[nH]c1=O ZINC000026941668 563037978 /nfs/dbraw/zinc/03/79/78/563037978.db2.gz JBIGIFDASWZFBJ-UHFFFAOYSA-N 0 0 444.556 5.060 1 0 IKAFRN CS(=O)(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000026953344 563038155 /nfs/dbraw/zinc/03/81/55/563038155.db2.gz ITDUQSGKPPPZOX-UHFFFAOYSA-N 0 0 442.993 5.434 1 0 IKAFRN C[C@]12CC[C@@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@]1(O)CC[C@@H]2CO ZINC000026950239 563038165 /nfs/dbraw/zinc/03/81/65/563038165.db2.gz BWOPEYKXBPNOED-OLQMUTRHSA-N 0 0 442.599 5.687 1 0 IKAFRN COC(=O)/C=C1\C=CC([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)=CC1 ZINC000026964429 563038309 /nfs/dbraw/zinc/03/83/09/563038309.db2.gz DIPMRSVBEMKBIX-PZWXZMOFSA-N 0 0 443.543 5.035 1 0 IKAFRN CCOC(=O)[C@H](C(C)C)N1C(=O)[C@H](C)S[C@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000026967826 563038327 /nfs/dbraw/zinc/03/83/27/563038327.db2.gz ZZHAMFBGKAHKHC-DQLWACAZSA-N 0 0 438.593 5.365 1 0 IKAFRN COC(=O)/C=C1\C=CC([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(F)cc2)=CC1 ZINC000026966208 563038342 /nfs/dbraw/zinc/03/83/42/563038342.db2.gz HMFAFEYJBXMNMY-AETDRESYSA-N 0 0 431.507 5.166 1 0 IKAFRN O=C(Oc1ccc(Cl)cc1Cl)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000026991007 563038767 /nfs/dbraw/zinc/03/87/67/563038767.db2.gz URFFKEZOEQXOCZ-UHFFFAOYSA-N 0 0 426.221 6.975 1 0 IKAFRN CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)Cc1ccc(Cl)cc1 ZINC000026993660 563038790 /nfs/dbraw/zinc/03/87/90/563038790.db2.gz NVCMKCBLQDUADQ-UHFFFAOYSA-N 0 0 447.000 5.159 1 0 IKAFRN CN1c2ccc(Cl)cc2C(c2cccc(O)c2)=N[C@H](Cc2ccc3ccccc3c2)C1=O ZINC000026994749 563038908 /nfs/dbraw/zinc/03/89/08/563038908.db2.gz YPPXJCGJKMGCLV-XMMPIXPASA-N 0 0 440.930 5.624 1 0 IKAFRN O=C(C[C@H]1c2ccccc2N=C(c2ccccc2)N1c1ccccc1)NCc1ccccc1 ZINC000026996168 563038929 /nfs/dbraw/zinc/03/89/29/563038929.db2.gz KBQDXJZKAJPELX-MHZLTWQESA-N 0 0 431.539 6.033 1 0 IKAFRN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2nc3c(Cl)cc(Cl)cc3c(O)c21 ZINC000027085752 563039194 /nfs/dbraw/zinc/03/91/94/563039194.db2.gz KSUUITLIBWHCEY-SNVBAGLBSA-N 0 0 426.221 5.766 1 0 IKAFRN O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1c(Cl)c(Cl)ccc1n2O ZINC000027090524 563039276 /nfs/dbraw/zinc/03/92/76/563039276.db2.gz ZCMLRRVHCVYLGY-VIFPVBQESA-N 0 0 443.113 5.765 1 0 IKAFRN O=C1C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1c(Cl)c(Cl)ccc1n2O ZINC000027090518 563039348 /nfs/dbraw/zinc/03/93/48/563039348.db2.gz ZCMLRRVHCVYLGY-SECBINFHSA-N 0 0 443.113 5.765 1 0 IKAFRN C[C@@H]1C(=O)c2c(O)c3cc(Cl)ccc3nc2C[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027100690 563039673 /nfs/dbraw/zinc/03/96/73/563039673.db2.gz GLVDIYUPUBKYMC-JOYOIKCWSA-N 0 0 440.248 6.012 1 0 IKAFRN C[C@H]1C(=O)c2c(O)c3cc(Cl)ccc3nc2C[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027100677 563039688 /nfs/dbraw/zinc/03/96/88/563039688.db2.gz GLVDIYUPUBKYMC-SKDRFNHKSA-N 0 0 440.248 6.012 1 0 IKAFRN CCOc1ccc(-c2nc(-c3cc(OC(C)=O)cc(OC(C)=O)c3)cs2)cc1OCC ZINC000027109568 563040126 /nfs/dbraw/zinc/04/01/26/563040126.db2.gz XYDLOEPMHHLMTD-UHFFFAOYSA-N 0 0 441.505 5.125 1 0 IKAFRN COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(NC(C)=O)cc2)cc1 ZINC000027193130 563040402 /nfs/dbraw/zinc/04/04/02/563040402.db2.gz VQVVGNGIRTYPGK-CLJLJLNGSA-N 0 0 428.532 5.381 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2[nH]c(Br)c(Cl)c2-c2ccc(F)cc2)cc1 ZINC000027299925 563041237 /nfs/dbraw/zinc/04/12/37/563041237.db2.gz GDLYZLOJMGOVLN-UHFFFAOYSA-N 0 0 428.710 5.307 1 0 IKAFRN CC[C@@H](C)n1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC ZINC000027203413 563040690 /nfs/dbraw/zinc/04/06/90/563040690.db2.gz WKDFZLJOXQLYJI-OAHLLOKOSA-N 0 0 447.804 6.731 1 0 IKAFRN CCCCCC[C@@H](O)C[C@H]1C[C@H]1CCCCCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000027209446 563040980 /nfs/dbraw/zinc/04/09/80/563040980.db2.gz HMAPHNNSGQIIAM-WXFUMESZSA-N 0 0 447.660 6.105 1 0 IKAFRN Cc1ccc(Cc2cnc(SCCCCCCCCCc3ccccc3)[nH]c2=O)cn1 ZINC000027314016 563041418 /nfs/dbraw/zinc/04/14/18/563041418.db2.gz LWTCEAPDNXWWJQ-UHFFFAOYSA-N 0 0 435.637 6.130 1 0 IKAFRN CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027330470 563041683 /nfs/dbraw/zinc/04/16/83/563041683.db2.gz XXIKKMLIDXLAIK-UKCWTKHPSA-N 0 0 436.592 6.239 1 0 IKAFRN Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1c2c(ccc1Cl)OCO2 ZINC000027331513 563041712 /nfs/dbraw/zinc/04/17/12/563041712.db2.gz BGNVDKDCICEGPY-UYAOXDASSA-N 0 0 435.332 5.351 1 0 IKAFRN CCOC1=C[C@@]2(C)[C@@H](C[C@@H](O)[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@H]23)C(C)(C)C1=O ZINC000027407651 563041796 /nfs/dbraw/zinc/04/17/96/563041796.db2.gz BZOHFZWRZLRHFA-DJSWNEMJSA-N 0 0 438.608 6.032 1 0 IKAFRN Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)c(Cl)c2)n2ccnc2)c(Cl)c1 ZINC000027425321 563042230 /nfs/dbraw/zinc/04/22/30/563042230.db2.gz ZOYMPLYCEMBDBQ-FQEVSTJZSA-N 0 0 437.157 7.130 1 0 IKAFRN CC1(C)C[C@@]2(C)Cc3cc(-c4cccnc4)oc(=O)c3C[C@@H]2[C@@]2(C)CC[C@H](OC=O)C[C@@H]12 ZINC000027430049 563042284 /nfs/dbraw/zinc/04/22/84/563042284.db2.gz SKIAHFIRQMLLQH-HYIOUKCHSA-N 0 0 435.564 5.201 1 0 IKAFRN COC(=O)c1ccc(/C=C(/c2ccc3c(c2)C(C)(C)CC(C)(C)S3)C(F)(F)F)cc1 ZINC000027434342 563042383 /nfs/dbraw/zinc/04/23/83/563042383.db2.gz GNGUSRAFVFGXTN-PDGQHHTCSA-N 0 0 434.523 7.128 1 0 IKAFRN CC(=O)N1C[C@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027521122 563042750 /nfs/dbraw/zinc/04/27/50/563042750.db2.gz AFVWUOFMRKBKAW-CRAIPNDOSA-N 0 0 434.241 5.337 1 0 IKAFRN O=C1CCC[C@]2(c3ccc(Oc4ccccc4)cc3)O[C@H](COc3ccc(Cl)cc3)CN12 ZINC000027521106 563042759 /nfs/dbraw/zinc/04/27/59/563042759.db2.gz KPDQWJQDKNJSKS-AZGAKELHSA-N 0 0 449.934 5.775 1 0 IKAFRN O=C1CC[C@]2(c3ccc(Oc4ccccc4)cc3)O[C@H](COc3ccc(Cl)cc3)CN12 ZINC000027523106 563042941 /nfs/dbraw/zinc/04/29/41/563042941.db2.gz XITDNFAWHCDZLO-UKILVPOCSA-N 0 0 435.907 5.385 1 0 IKAFRN Nc1cccc(CN2c3ccccc3C(c3ccccc3)=N[C@@H](Cc3ccccc3)C2=O)c1 ZINC000027524391 563043022 /nfs/dbraw/zinc/04/30/22/563043022.db2.gz WNBYVNPNUSRLSQ-SANMLTNESA-N 0 0 431.539 5.264 1 0 IKAFRN CCCCN(Cc1ccccc1-c1ccccc1)c1nc2c(ccc3c2CCCC3)s1 ZINC000027559469 563044126 /nfs/dbraw/zinc/04/41/26/563044126.db2.gz JQAIMHGAEVVRTI-UHFFFAOYSA-N 0 0 426.629 7.649 1 0 IKAFRN CCOC[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]32C)C1=O ZINC000027619937 563044500 /nfs/dbraw/zinc/04/45/00/563044500.db2.gz RWOKUNQNKVRHHC-TZAPCIGZSA-N 0 0 446.672 6.209 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1CCc2cc(OC(C)=O)c(C)c(C)c2O1 ZINC000027619210 563044513 /nfs/dbraw/zinc/04/45/13/563044513.db2.gz CVTCYEHBUGJVLF-XMSUXYKQSA-N 0 0 438.652 8.122 1 0 IKAFRN CCCCC/C=C\C/C=C\CCCCCCC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1 ZINC000027622408 563044551 /nfs/dbraw/zinc/04/45/51/563044551.db2.gz PXZDWRCURFZFQA-SESAENPMSA-N 0 0 426.685 8.906 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)C[C@@H](O)c2cc(O)c(C)c(C)c2O1 ZINC000027622449 563044553 /nfs/dbraw/zinc/04/45/53/563044553.db2.gz RTMPQUPEXZWPHH-WVMSGLQDSA-N 0 0 426.641 7.783 1 0 IKAFRN CCCCC/C=C\C/C=C\CCCCCCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 ZINC000027622413 563044575 /nfs/dbraw/zinc/04/45/75/563044575.db2.gz PXZDWRCURFZFQA-FALRGZJFSA-N 0 0 426.685 8.906 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)C[C@H](O)c2cc(O)c(C)c(C)c2O1 ZINC000027622468 563044595 /nfs/dbraw/zinc/04/45/95/563044595.db2.gz RTMPQUPEXZWPHH-BDACYBGDSA-N 0 0 426.641 7.783 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c(C(C)(C)C)cc2O1 ZINC000027626891 563044645 /nfs/dbraw/zinc/04/46/45/563044645.db2.gz LHBQGWGYEWJHRW-IKUCKXBZSA-N 0 0 438.696 8.973 1 0 IKAFRN C=C/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C)CCC=C(C)C ZINC000027643469 563045061 /nfs/dbraw/zinc/04/50/61/563045061.db2.gz ATMHMBRPCUZUGJ-IRSKBCHFSA-N 0 0 438.740 9.982 1 0 IKAFRN O=C(CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccccc1 ZINC000027656158 563045307 /nfs/dbraw/zinc/04/53/07/563045307.db2.gz YIAKREGRZDILRB-UHFFFAOYSA-N 0 0 428.963 5.614 1 0 IKAFRN O[C@H](CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccs1 ZINC000027712593 563045668 /nfs/dbraw/zinc/04/56/68/563045668.db2.gz RQOMKYBFUBMKFV-XMMPIXPASA-N 0 0 438.543 5.842 1 0 IKAFRN Fc1ccc(/C=C/CCN2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000027713423 563045704 /nfs/dbraw/zinc/04/57/04/563045704.db2.gz FKHCXPISZAZFPT-HNQUOIGGSA-N 0 0 432.489 6.509 1 0 IKAFRN O[C@H](CCCN1CCc2c(c3cc(F)ccc3n2-c2ccccc2)C1)c1ccc(F)cc1 ZINC000027726044 563045967 /nfs/dbraw/zinc/04/59/67/563045967.db2.gz LITJZIGKHVGYFL-HHHXNRCGSA-N 0 0 432.514 5.781 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000027730907 563046080 /nfs/dbraw/zinc/04/60/80/563046080.db2.gz CDKAMGZLXLOSQF-UNUVHYAWSA-N 0 0 437.668 7.370 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000027730915 563046118 /nfs/dbraw/zinc/04/61/18/563046118.db2.gz CDKAMGZLXLOSQF-IUBUJBKDSA-N 0 0 437.668 7.370 1 0 IKAFRN CCCc1nc([C@@H](C)CC)c(C=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027735220 563046311 /nfs/dbraw/zinc/04/63/11/563046311.db2.gz SYCGTSBULQTPHT-KRWDZBQOSA-N 0 0 428.540 5.057 1 0 IKAFRN CCCc1nc([C@H](C)CC)c(C=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027735228 563046327 /nfs/dbraw/zinc/04/63/27/563046327.db2.gz SYCGTSBULQTPHT-QGZVFWFLSA-N 0 0 428.540 5.057 1 0 IKAFRN CCCc1c(OCCCCCCCCCCCCc2nn[nH]n2)ccc(C(C)=O)c1O ZINC000027743129 563046568 /nfs/dbraw/zinc/04/65/68/563046568.db2.gz JGQAWGJHYGZILZ-UHFFFAOYSA-N 0 0 430.593 5.583 1 0 IKAFRN C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@@H]2C3=CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000027763510 563046980 /nfs/dbraw/zinc/04/69/80/563046980.db2.gz ZMOAZIJFXBMABY-SBODWBLFSA-N 0 0 428.701 6.917 1 0 IKAFRN c1cc2ccc(-c3nc4cc(-c5nc6cc(-c7ccccc7)ccc6[nH]5)ccc4[nH]3)cc2[nH]1 ZINC000027768944 563047087 /nfs/dbraw/zinc/04/70/87/563047087.db2.gz GEMBMADKKGROGW-UHFFFAOYSA-N 0 0 425.495 6.922 1 0 IKAFRN CCc1nn(-c2ccccc2)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl ZINC000027847289 563047286 /nfs/dbraw/zinc/04/72/86/563047286.db2.gz POCLVRZAOGXBEY-UHFFFAOYSA-N 0 0 441.015 6.841 1 0 IKAFRN Nc1sc2c(c1C(=O)c1ccc(Cl)c3ccccc13)CCN(Cc1ccccc1)C2 ZINC000027887923 563047977 /nfs/dbraw/zinc/04/79/77/563047977.db2.gz YMKXFOUJNZJIJP-UHFFFAOYSA-N 0 0 432.976 5.926 1 0 IKAFRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)Oc1ccc(O)c(C(C)(C)C)c1 ZINC000027898429 563048270 /nfs/dbraw/zinc/04/82/70/563048270.db2.gz JDGGKALGZWFHMV-KQKSCMBMSA-N 0 0 448.647 8.127 1 0 IKAFRN Nc1sc2c(c1C(=O)c1ccc3c(c1)Cc1ccccc1-3)CCN(Cc1ccccc1)C2 ZINC000027900088 563048362 /nfs/dbraw/zinc/04/83/62/563048362.db2.gz NGSIQZKPKODYQS-UHFFFAOYSA-N 0 0 436.580 5.691 1 0 IKAFRN COc1cc2nccc(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3C)c2cc1OC ZINC000027982149 563048662 /nfs/dbraw/zinc/04/86/62/563048662.db2.gz OBTRDAAIHRTGOL-UHFFFAOYSA-N 0 0 442.559 7.394 1 0 IKAFRN CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000028004112 563049375 /nfs/dbraw/zinc/04/93/75/563049375.db2.gz OZANSKSORLVFAY-JGFKHHSSSA-N 0 0 442.728 7.141 1 0 IKAFRN COc1cc2nccc(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3)c2cc1OC ZINC000028004400 563049385 /nfs/dbraw/zinc/04/93/85/563049385.db2.gz ZFEIMDPIYGTSHI-UHFFFAOYSA-N 0 0 428.532 7.085 1 0 IKAFRN CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCN(c2cccc(Cl)c2)CC1 ZINC000028005784 563049479 /nfs/dbraw/zinc/04/94/79/563049479.db2.gz IZIOZNAKZSDOFS-UHFFFAOYSA-N 0 0 440.975 6.061 1 0 IKAFRN COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000028061103 563050168 /nfs/dbraw/zinc/05/01/68/563050168.db2.gz NEAYBEWPLUJOLB-RUZDIDTESA-N 0 0 425.557 6.483 1 0 IKAFRN COc1ccc(-c2csc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3cccs3)n2)cc1 ZINC000028062384 563050248 /nfs/dbraw/zinc/05/02/48/563050248.db2.gz XBOXPAXQGRWLRK-JOCHJYFZSA-N 0 0 447.585 6.245 1 0 IKAFRN CSOc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1 ZINC000028122885 563051114 /nfs/dbraw/zinc/05/11/14/563051114.db2.gz QFNLKRRCJPMHMC-UHFFFAOYSA-N 0 0 444.560 5.782 1 0 IKAFRN COc1ccc([C@H](c2cc(C(C)(C)C)ccc2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028221869 563051712 /nfs/dbraw/zinc/05/17/12/563051712.db2.gz NUBFEJCIDFBSHN-SANMLTNESA-N 0 0 432.560 6.068 1 0 IKAFRN Cc1cc(C(=O)Nc2ccc(-n3cccn3)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028231932 563051911 /nfs/dbraw/zinc/05/19/11/563051911.db2.gz JTHRJNXNZOXKAE-UHFFFAOYSA-N 0 0 427.895 5.425 1 0 IKAFRN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028234308 563051923 /nfs/dbraw/zinc/05/19/23/563051923.db2.gz LIGCCNHELGZGGQ-UHFFFAOYSA-N 0 0 446.938 5.076 1 0 IKAFRN CCCN(Cc1cccc(F)c1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C ZINC000028331727 563052515 /nfs/dbraw/zinc/05/25/15/563052515.db2.gz VDTPIVJQXOLAKU-UHFFFAOYSA-N 0 0 448.586 5.714 1 0 IKAFRN O=C1c2c(cc(OCc3ccc(-c4nn[nH]n4)cc3)c(Cl)c2Cl)C[C@@H]1C1CCCC1 ZINC000028334707 563052626 /nfs/dbraw/zinc/05/26/26/563052626.db2.gz XUGRGRMGJJYIJM-MRXNPFEDSA-N 0 0 443.334 5.298 1 0 IKAFRN O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn32)c1)C1CCCCC1 ZINC000028335450 563052645 /nfs/dbraw/zinc/05/26/45/563052645.db2.gz IWHCADYDNMVKFF-UHFFFAOYSA-N 0 0 430.533 5.208 1 0 IKAFRN CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C(N)=O ZINC000028334252 563052692 /nfs/dbraw/zinc/05/26/92/563052692.db2.gz NETQVEVBNHBPTM-UHFFFAOYSA-N 0 0 449.765 6.654 1 0 IKAFRN CCCN(CC1CC1)c1cc(C)nc2c(-c3ncc(C(F)(F)F)cc3Cl)c(C)nn21 ZINC000028347101 563053133 /nfs/dbraw/zinc/05/31/33/563053133.db2.gz UKJSUDFXDGICHW-UHFFFAOYSA-N 0 0 437.897 5.707 1 0 IKAFRN CCN(C)c1cc(-c2ccc(Sc3ccccc3C(C)C)c(C(F)(F)F)c2)ncn1 ZINC000028352518 563053220 /nfs/dbraw/zinc/05/32/20/563053220.db2.gz VDCWKOMRFTYIHX-UHFFFAOYSA-N 0 0 431.527 6.893 1 0 IKAFRN COc1cccc(NC(=O)COc2ccc(C(=O)Nc3cccc(F)c3)c3ccccc23)c1 ZINC000028365267 563053602 /nfs/dbraw/zinc/05/36/02/563053602.db2.gz FNMBKAWCJIQNEI-UHFFFAOYSA-N 0 0 444.462 5.257 1 0 IKAFRN C[C@@H](NC(=S)Nc1ccc(-c2cc(Cc3ccccc3)no2)cc1)c1ccc(F)cc1 ZINC000028366214 563053603 /nfs/dbraw/zinc/05/36/03/563053603.db2.gz MTMMPYLXUDVCRB-QGZVFWFLSA-N 0 0 431.536 6.119 1 0 IKAFRN C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1c[nH]c2ccccc21 ZINC000028365476 563053615 /nfs/dbraw/zinc/05/36/15/563053615.db2.gz LYLWVMNKDMNQHK-HNNXBMFYSA-N 0 0 432.524 5.607 1 0 IKAFRN C[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccc(Cl)cc1 ZINC000028363819 563053619 /nfs/dbraw/zinc/05/36/19/563053619.db2.gz SUWGJAQKGMMPAP-CQSZACIVSA-N 0 0 427.932 5.779 1 0 IKAFRN C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccc3ccccc3n2)cc1)c1ccc(F)cc1 ZINC000028363838 563053620 /nfs/dbraw/zinc/05/36/20/563053620.db2.gz RVJAJQJCHVXMNR-INIZCTEOSA-N 0 0 444.535 5.674 1 0 IKAFRN COc1c(O)c2c(=O)cc(-c3ccccc3)oc2cc1OC(=O)C/C=C/c1ccccc1 ZINC000028368036 563053679 /nfs/dbraw/zinc/05/36/79/563053679.db2.gz QLEGGDUZJROAKD-DHZHZOJOSA-N 0 0 428.440 5.183 1 0 IKAFRN COc1ccccc1-c1c(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC ZINC000028374158 563053848 /nfs/dbraw/zinc/05/38/48/563053848.db2.gz IGCSLIVTBUKKRS-UHFFFAOYSA-N 0 0 448.297 6.178 1 0 IKAFRN CC[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccc(F)cc1 ZINC000028373593 563053851 /nfs/dbraw/zinc/05/38/51/563053851.db2.gz BHIIVWVVZCOJKU-OAQYLSRUSA-N 0 0 425.504 5.655 1 0 IKAFRN O=C(Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1)c1ccc(Cl)cc1Cl ZINC000028374957 563053962 /nfs/dbraw/zinc/05/39/62/563053962.db2.gz UAQRLUJSQLJUNO-UHFFFAOYSA-N 0 0 448.375 6.374 1 0 IKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc2ccccc2c1 ZINC000028389991 563054396 /nfs/dbraw/zinc/05/43/96/563054396.db2.gz MBOPYKZQVGYOJO-FGUUHEIUSA-N 0 0 438.546 6.644 1 0 IKAFRN CNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CC(c1ccccc1)c1ccccc1 ZINC000028394096 563054602 /nfs/dbraw/zinc/05/46/02/563054602.db2.gz WMBXVDNHHDNYRO-DEOSSOPVSA-N 0 0 430.548 5.165 1 0 IKAFRN COC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(c1ccccc1)c1ccccc1 ZINC000028456320 563054749 /nfs/dbraw/zinc/05/47/49/563054749.db2.gz LHCOFWFBZKDXFR-XMMPIXPASA-N 0 0 431.532 5.592 1 0 IKAFRN COC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CC(c1ccccc1)c1ccccc1 ZINC000028456317 563054803 /nfs/dbraw/zinc/05/48/03/563054803.db2.gz LHCOFWFBZKDXFR-DEOSSOPVSA-N 0 0 431.532 5.592 1 0 IKAFRN CCCN(CC1CC1)C(=O)c1c(CC)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028458887 563054861 /nfs/dbraw/zinc/05/48/61/563054861.db2.gz VWSFBISLKOMVDX-UHFFFAOYSA-N 0 0 442.607 6.028 1 0 IKAFRN C[C@](CO)(CCCCCC(=O)CCCCC[C@](C)(CO)c1ccccc1)c1ccccc1 ZINC000028457845 563054919 /nfs/dbraw/zinc/05/49/19/563054919.db2.gz RONGASBWZLDFPU-FQLXRVMXSA-N 0 0 438.652 6.357 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OCCO)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000028458990 563054975 /nfs/dbraw/zinc/05/49/75/563054975.db2.gz NPYXBHZQVNRAOF-KAFSRORWSA-N 0 0 430.717 7.405 1 0 IKAFRN CCCc1c2ccn(CC3CC3)c2ccc1OCCCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000028461206 563055064 /nfs/dbraw/zinc/05/50/64/563055064.db2.gz PPPHDCOVPFJJHU-UHFFFAOYSA-N 0 0 445.567 5.422 1 0 IKAFRN CCCc1c2ccn(CC(C)(C)C)c2ccc1OCCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000028460958 563055089 /nfs/dbraw/zinc/05/50/89/563055089.db2.gz SPZWQXRRNLTPRA-UHFFFAOYSA-N 0 0 447.583 5.668 1 0 IKAFRN CCCc1c2ccn(CCC)c2ccc1OCCCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000028467677 563055398 /nfs/dbraw/zinc/05/53/98/563055398.db2.gz GXKOHQQCSSECNY-UHFFFAOYSA-N 0 0 433.556 5.422 1 0 IKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(C)cc3)cc2)C(=O)NC(C)C)c1 ZINC000028468919 563055469 /nfs/dbraw/zinc/05/54/69/563055469.db2.gz SNMMWLHMDHVBLW-SFQUDFHCSA-N 0 0 442.559 5.973 1 0 IKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3ccccc3)cc2)C(=O)C(C)C)c1 ZINC000028470465 563055472 /nfs/dbraw/zinc/05/54/72/563055472.db2.gz SFCGQQQQOJUVBT-JXNIZTFNSA-N 0 0 439.555 6.232 1 0 IKAFRN COC(=O)/C=C/c1cccc(N(Cc2cc(OC)cc(OC)c2)C(=O)C2CCCCC2)c1 ZINC000028475873 563055719 /nfs/dbraw/zinc/05/57/19/563055719.db2.gz NNBOGZBRGXERDL-OUKQBFOZSA-N 0 0 437.536 5.004 1 0 IKAFRN C[C@H](CCCOc1ccc(-c2ccc(Cl)cc2)cc1)CN1CCN(c2ccncc2)C1=O 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XPGOBBSPTJRZDL-UHFFFAOYSA-N 0 0 445.565 5.912 1 0 IKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(Nc2c(Cl)cccc2Cl)n1 ZINC000028562947 563057650 /nfs/dbraw/zinc/05/76/50/563057650.db2.gz ODKYPTGXSGQDNU-UHFFFAOYSA-N 0 0 432.254 6.465 1 0 IKAFRN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1-c1ccc(O)cc1 ZINC000028563075 563057662 /nfs/dbraw/zinc/05/76/62/563057662.db2.gz LYNKHJXHMNHSFX-UHFFFAOYSA-N 0 0 435.483 5.863 1 0 IKAFRN COc1ccc(C(=O)N(C)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Br ZINC000028563550 563057717 /nfs/dbraw/zinc/05/77/17/563057717.db2.gz PRVZPFXQIBZKNA-UHFFFAOYSA-N 0 0 436.309 5.278 1 0 IKAFRN O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1C1CCCCC1 ZINC000028568763 563058549 /nfs/dbraw/zinc/05/85/49/563058549.db2.gz HUYRDFAANWLWPF-UHFFFAOYSA-N 0 0 439.346 6.061 1 0 IKAFRN CCC[C@H](O)c1cnc([C@@H](C)CC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569221 563058683 /nfs/dbraw/zinc/05/86/83/563058683.db2.gz YPDHBJDSZAAURZ-LRDDRELGSA-N 0 0 438.412 5.532 1 0 IKAFRN CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000028569238 563058739 /nfs/dbraw/zinc/05/87/39/563058739.db2.gz AHQRPBWVJHINRW-HGFMBFQLSA-N 0 0 426.685 7.124 1 0 in-vivo IKAFRN CC[C@H](C)c1ncc([C@H](O)C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569298 563058812 /nfs/dbraw/zinc/05/88/12/563058812.db2.gz KIYFWZZYGGXOPQ-BLLLJJGKSA-N 0 0 438.412 5.387 1 0 IKAFRN Cc1ccc(-c2cccc(-c3nc4cc(C=C5SC(=S)NC5=O)ccc4[nH]3)n2)cc1C ZINC000028570322 563059114 /nfs/dbraw/zinc/05/91/14/563059114.db2.gz QXHZPBCBOBBHAN-MTJSOVHGSA-N 0 0 442.569 6.238 1 0 IKAFRN O=c1c2c([O-])nsc2n(C2CC2)c2cc(-c3cccc([C@@H]4CCCC[NH2+]4)c3)c(F)cc12 ZINC000028571420 563059286 /nfs/dbraw/zinc/05/92/86/563059286.db2.gz PKSRQRFDRMZEJO-IBGZPJMESA-N 0 0 435.524 5.272 1 0 IKAFRN Cc1ccc(-c2cccc(-c3nc4c(cccc4C=C4SC(=S)NC4=O)[nH]3)n2)cc1C ZINC000028571334 563059294 /nfs/dbraw/zinc/05/92/94/563059294.db2.gz MBMWPLVXSUECSO-NDENLUEZSA-N 0 0 442.569 6.238 1 0 IKAFRN FC(F)(Cl)Oc1ccc(Nc2nnc(-c3cccc4cnccc43)c3ccccc23)cc1 ZINC000028571397 563059310 /nfs/dbraw/zinc/05/93/10/563059310.db2.gz CWKWKGIQPLPTST-UHFFFAOYSA-N 0 0 448.860 6.757 1 0 IKAFRN O=c1c2c([O-])nsc2n(C2CC2)c2cc(-c3ccc([C@H]4CCCC[NH2+]4)cc3)c(F)cc12 ZINC000028571356 563059325 /nfs/dbraw/zinc/05/93/25/563059325.db2.gz VOYUBWQGNLEVQI-LJQANCHMSA-N 0 0 435.524 5.272 1 0 IKAFRN COP(=O)(OC)[C@H](Nc1nc2c(cccc2C)s1)c1ccc(C(F)(F)F)cc1 ZINC000028571842 563059360 /nfs/dbraw/zinc/05/93/60/563059360.db2.gz ZAAKHKOIBJZGBC-INIZCTEOSA-N 0 0 430.388 6.220 1 0 IKAFRN COc1ccc(NCCNC(=O)C2(Nc3cccc(-c4ccccc4)c3)CCCCC2)cc1 ZINC000028571959 563059482 /nfs/dbraw/zinc/05/94/82/563059482.db2.gz GORKZOAAUSGEMB-UHFFFAOYSA-N 0 0 443.591 5.705 1 0 IKAFRN COc1ccc(NCCNC(=O)[C@@H](CC(C)C)Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000028572035 563059498 /nfs/dbraw/zinc/05/94/98/563059498.db2.gz UCHLXKCEXAVWQX-AREMUKBSSA-N 0 0 432.564 5.384 1 0 IKAFRN CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1O3 ZINC000028639039 563059973 /nfs/dbraw/zinc/05/99/73/563059973.db2.gz KNMHRIJYULMVCD-IFQXSYFNSA-N 0 0 426.685 7.198 1 0 IKAFRN C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CCCCCCCC(N)=O)C[C@H]1CC(=O)CC[C@@]13C ZINC000028640908 563060189 /nfs/dbraw/zinc/06/01/89/563060189.db2.gz BZLBFBAKHHAXJU-GABRWTMYSA-N 0 0 431.661 5.401 1 0 IKAFRN CCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028641159 563060252 /nfs/dbraw/zinc/06/02/52/563060252.db2.gz NXGNORLTGJZGBQ-UHFFFAOYSA-N 0 0 434.665 6.109 1 0 IKAFRN FC(F)(F)c1ccccc1Cn1nnc2c1nc(-c1ccccc1)nc2NC1CCCC1 ZINC000028644216 563060597 /nfs/dbraw/zinc/06/05/97/563060597.db2.gz UWZRHJUJCAFPGX-UHFFFAOYSA-N 0 0 438.457 5.310 1 0 IKAFRN C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(=CCF)[C@H](O)C3)CCC[C@]21C ZINC000028645547 563060670 /nfs/dbraw/zinc/06/06/70/563060670.db2.gz NPQPAYRGQQTLEO-FHRISVAOSA-N 0 0 448.663 6.044 1 0 IKAFRN O=C1CS[C@H](c2c(F)cccc2F)N1c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000028647374 563060890 /nfs/dbraw/zinc/06/08/90/563060890.db2.gz XDUQUVICUMADHK-XMMPIXPASA-N 0 0 445.494 5.867 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C ZINC000028646933 563060896 /nfs/dbraw/zinc/06/08/96/563060896.db2.gz YABASAWVVRQMEU-IDIQCLECSA-N 0 0 428.745 8.249 1 0 IKAFRN Oc1ccc(-c2ccc(C=Cc3nn[nH]n3)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2 ZINC000028648316 563061015 /nfs/dbraw/zinc/06/10/15/563061015.db2.gz JVHFNBOPLPACBJ-QHHAFSJGSA-N 0 0 432.955 5.864 1 0 IKAFRN O=C(NC1CCCCC1)c1cnc(-c2ccccc2Cl)c(-c2ccccc2Cl)n1 ZINC000028648903 563061071 /nfs/dbraw/zinc/06/10/71/563061071.db2.gz BXRSYUFMJUGANE-UHFFFAOYSA-N 0 0 426.347 6.180 1 0 IKAFRN Cc1ccc(-n2cc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2Cl)cc1 ZINC000028702442 563061525 /nfs/dbraw/zinc/06/15/25/563061525.db2.gz JBNCULDCNOUANL-UHFFFAOYSA-N 0 0 428.363 6.217 1 0 IKAFRN Cc1cc(NC2CC2)cn2c1nc(-c1ccc(F)cc1)c2-c1ccnc(NC2CCCC2)n1 ZINC000028703273 563061655 /nfs/dbraw/zinc/06/16/55/563061655.db2.gz PNUGWEPGDJNOLJ-UHFFFAOYSA-N 0 0 442.542 5.835 1 0 IKAFRN Fc1ccc(-c2nc3c(N4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000028703255 563061677 /nfs/dbraw/zinc/06/16/77/563061677.db2.gz HXLGDAAWRUWBGI-UHFFFAOYSA-N 0 0 442.542 5.552 1 0 IKAFRN COc1ccc2c(c1)NC(=O)Cc1c(-c3ccccc3)cc(-c3cccc(Cl)c3)nc1-2 ZINC000028704098 563061799 /nfs/dbraw/zinc/06/17/99/563061799.db2.gz VICZFXDFBSKKIF-UHFFFAOYSA-N 0 0 426.903 6.239 1 0 IKAFRN Fc1ccc(-c2nc3c(C4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000028710101 563062446 /nfs/dbraw/zinc/06/24/46/563062446.db2.gz OCHMLABUTRNAEW-UHFFFAOYSA-N 0 0 441.554 6.610 1 0 IKAFRN S=C(N1N=C(c2ccccc2)C[C@@H]1c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000028709458 563062491 /nfs/dbraw/zinc/06/24/91/563062491.db2.gz PMZIMAFADAOWRP-HHHXNRCGSA-N 0 0 439.628 6.077 1 0 IKAFRN COc1c(NC(=O)Nc2cccc3ccccc32)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710587 563062563 /nfs/dbraw/zinc/06/25/63/563062563.db2.gz SZLHGIFFNVWTKB-UHFFFAOYSA-N 0 0 441.553 5.161 1 0 IKAFRN COc1cc(-c2ccc3c(c2)Nc2c(cccc2OCc2ccncc2)NC3=O)ccc1N ZINC000028710741 563062702 /nfs/dbraw/zinc/06/27/02/563062702.db2.gz ZPWUDSKRINNTOL-UHFFFAOYSA-N 0 0 438.487 5.228 1 0 IKAFRN CCOc1ccc(-n2c(C)c3c(c2C)c(-c2ccc(-c4ccccc4)cc2)nnc3C)cc1 ZINC000028754719 563063326 /nfs/dbraw/zinc/06/33/26/563063326.db2.gz XAOACLDLTVRCIY-UHFFFAOYSA-N 0 0 433.555 7.078 1 0 IKAFRN CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C([N+](=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028758691 563063530 /nfs/dbraw/zinc/06/35/30/563063530.db2.gz CIVNKRZMTRFCKS-AUKZVGPFSA-N 0 0 428.617 5.981 1 0 IKAFRN Clc1ccc(CC[C@@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028766957 563064234 /nfs/dbraw/zinc/06/42/34/563064234.db2.gz YUANOLWCHMZDBJ-WIYYLYMNSA-N 0 0 437.754 5.745 1 0 IKAFRN COc1ccc(CC[C@@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028768631 563064249 /nfs/dbraw/zinc/06/42/49/563064249.db2.gz FKNBVWMLDHPIHH-DENIHFKCSA-N 0 0 433.335 5.100 1 0 IKAFRN COc1ccc(Cn2c3ccc(OC(C)=O)cc3c(C)c2-c2ccc(OC(C)=O)cc2)cc1 ZINC000028768708 563064261 /nfs/dbraw/zinc/06/42/61/563064261.db2.gz NWFGGSSCEDKHKH-UHFFFAOYSA-N 0 0 443.499 5.524 1 0 IKAFRN Clc1ccc([C@@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)c(Cl)c1 ZINC000028769171 563064265 /nfs/dbraw/zinc/06/42/65/563064265.db2.gz NAEGNFMRFQAVML-RBUKOAKNSA-N 0 0 444.145 6.138 1 0 IKAFRN COc1ccc(C(=O)Cn2c(CC(F)(F)F)nc3cc(Cl)c(Cl)cc32)c(OC)c1 ZINC000028817749 563064699 /nfs/dbraw/zinc/06/46/99/563064699.db2.gz NCAOUZAIFOMGBY-UHFFFAOYSA-N 0 0 447.240 5.348 1 0 IKAFRN Cc1[nH]c2ccccc2c1C[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000028820768 563065233 /nfs/dbraw/zinc/06/52/33/563065233.db2.gz KLRIXSJSSBRQBS-JTQLQIEISA-N 0 0 431.772 5.346 1 0 IKAFRN CCOC(=O)C[C@@H](CC)CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1 ZINC000028821675 563065420 /nfs/dbraw/zinc/06/54/20/563065420.db2.gz OKDHVEOGLQXMFU-QHCPKHFHSA-N 0 0 432.608 7.065 1 0 IKAFRN CC[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@@]12C(=O)N([C@@H](C)c1ccccc1)[C@H]2c1ccccc1 ZINC000028822307 563065649 /nfs/dbraw/zinc/06/56/49/563065649.db2.gz OBSAOZVEZGITLJ-SDOJWCGJSA-N 0 0 427.544 5.229 1 0 IKAFRN COc1ccc(CSc2c(C=C3SC(=S)NC3=O)c(C(F)(F)F)nn2C)cc1 ZINC000028822811 563065783 /nfs/dbraw/zinc/06/57/83/563065783.db2.gz QXLXKNQWHDHHCU-GHXNOFRVSA-N 0 0 445.513 5.069 1 0 IKAFRN C[C@H](c1ccccc1)n1ccnc1C1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000028822945 563065899 /nfs/dbraw/zinc/06/58/99/563065899.db2.gz JXUWRZZEVUREMV-HSZRJFAPSA-N 0 0 435.571 5.715 1 0 IKAFRN CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C[C@]35CC[C@]12C)CC[C@H](O)C4(C)C ZINC000028825346 563066212 /nfs/dbraw/zinc/06/62/12/563066212.db2.gz ONQRKEUAIJMULO-OBBMHDNPSA-N 0 0 426.729 8.169 1 0 IKAFRN CC[C@@]1(C[C@@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826129 563066390 /nfs/dbraw/zinc/06/63/90/563066390.db2.gz PUKRFHNVKSXPBK-BJKOFHAPSA-N 0 0 429.482 5.369 1 0 IKAFRN CC[C@@]1(C[C@@](O)(CNc2cccc3nc(C)ccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826211 563066424 /nfs/dbraw/zinc/06/64/24/563066424.db2.gz XJFFZMILSHZEQK-LOSJGSFVSA-N 0 0 442.525 6.323 1 0 IKAFRN CC[C@]1(C[C@@](O)(CNc2cccc3cnccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826241 563066502 /nfs/dbraw/zinc/06/65/02/563066502.db2.gz CNAHGVBTDVLLSD-DNQXCXABSA-N 0 0 428.498 6.015 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1ccccc1Br)C(F)(F)F ZINC000028862323 563066762 /nfs/dbraw/zinc/06/67/62/563066762.db2.gz LJCMSDCZMOFRFT-IBGZPJMESA-N 0 0 449.282 5.801 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccccc1Br)C(F)(F)F ZINC000028862325 563066789 /nfs/dbraw/zinc/06/67/89/563066789.db2.gz LJCMSDCZMOFRFT-LJQANCHMSA-N 0 0 449.282 5.801 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1c(C)ccc2ccccc21)C(F)(F)F ZINC000028862552 563066832 /nfs/dbraw/zinc/06/68/32/563066832.db2.gz BXRDIKRRETWSCY-DEOSSOPVSA-N 0 0 434.473 6.500 1 0 IKAFRN CCc1c(Cc2c(Cl)cccc2Cl)nc(SCc2ccc(OC)cc2)[nH]c1=O ZINC000028862805 563066927 /nfs/dbraw/zinc/06/69/27/563066927.db2.gz GBACQEIXUIVAQC-UHFFFAOYSA-N 0 0 435.376 5.531 1 0 IKAFRN COc1ccc(CSc2nc([C@@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862815 563066947 /nfs/dbraw/zinc/06/69/47/563066947.db2.gz XLLBUUAQBPMENQ-LBPRGKRZSA-N 0 0 435.376 5.838 1 0 IKAFRN COc1ccc(/C=C/CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862938 563067094 /nfs/dbraw/zinc/06/70/94/563067094.db2.gz LJZBXVNPSXFFNS-SNAWJCMRSA-N 0 0 447.387 5.790 1 0 IKAFRN C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)C4=CCCO[C@@H]4C3)CCC[C@@]21C ZINC000028865755 563067173 /nfs/dbraw/zinc/06/71/73/563067173.db2.gz LFHQKMQIKUQKFP-DJLFWBQISA-N 0 0 442.684 6.503 1 0 IKAFRN O=C(NN1CCCC1)C1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028866809 563067308 /nfs/dbraw/zinc/06/73/08/563067308.db2.gz YDAPNFKWICZYRZ-LJQANCHMSA-N 0 0 437.758 5.081 1 0 IKAFRN CCOc1ccc(NC(=O)c2cn3c(C)c(C)nc3c3c2CC[C@H](c2ccccc2)O3)cc1 ZINC000028867230 563067312 /nfs/dbraw/zinc/06/73/12/563067312.db2.gz GHSMZYWNEZNJJR-XMMPIXPASA-N 0 0 441.531 5.668 1 0 IKAFRN O=C(c1ccc2[nH]ccc2c1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028872281 563067560 /nfs/dbraw/zinc/06/75/60/563067560.db2.gz PBGBGFPUSVZTPF-VWLOTQADSA-N 0 0 429.951 5.369 1 0 IKAFRN O=C(c1ccc2[nH]ccc2c1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028872284 563067584 /nfs/dbraw/zinc/06/75/84/563067584.db2.gz PBGBGFPUSVZTPF-RUZDIDTESA-N 0 0 429.951 5.369 1 0 IKAFRN C[C@H](CO)NC(=O)CCC/C=C\C/C=C\CCOc1cccc(C(C)(C)CCCCO)c1 ZINC000028875822 563067660 /nfs/dbraw/zinc/06/76/60/563067660.db2.gz YNNMYYFUBWIVHE-YUZOCMECSA-N 0 0 445.644 5.066 1 0 IKAFRN CCCCN(CCCC)C(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878244 563067753 /nfs/dbraw/zinc/06/77/53/563067753.db2.gz UKJSHNGZDJJLFG-RSUJEAPSSA-N 0 0 426.483 7.413 1 0 IKAFRN COc1cc(-c2cnc(N)c3c(-c4ccc5ccccc5c4)csc32)cc(OC)c1OC ZINC000028884524 563067884 /nfs/dbraw/zinc/06/78/84/563067884.db2.gz AFRJKSIXQFNFGF-UHFFFAOYSA-N 0 0 442.540 6.392 1 0 IKAFRN Nc1nccn2c(-c3cccc4ccccc43)nc(-c3cccc(OCc4ccccc4)c3)c12 ZINC000028885676 563068036 /nfs/dbraw/zinc/06/80/36/563068036.db2.gz BHIUDAWFZCVDLW-UHFFFAOYSA-N 0 0 442.522 6.378 1 0 IKAFRN NC(=O)Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccc(-c3cccc(F)c3)cc12 ZINC000028888199 563068212 /nfs/dbraw/zinc/06/82/12/563068212.db2.gz QDONHODDLUCLPK-UHFFFAOYSA-N 0 0 426.413 5.542 1 0 IKAFRN NC(=O)Cc1cn(CC2CC2)c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12 ZINC000028888369 563068230 /nfs/dbraw/zinc/06/82/30/563068230.db2.gz GCQDJOGNVLDTPN-UHFFFAOYSA-N 0 0 440.387 5.784 1 0 IKAFRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)Nc1cc(Cl)ccc1O ZINC000028895868 563068715 /nfs/dbraw/zinc/06/87/15/563068715.db2.gz BFVTVHJSLQBAAI-HPWKXKAUSA-N 0 0 426.000 7.516 1 0 IKAFRN COC(=O)c1cc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)ccc1O ZINC000028896031 563068828 /nfs/dbraw/zinc/06/88/28/563068828.db2.gz ZMIMPKFZRMGKJT-MNPWCPBLSA-N 0 0 449.591 6.649 1 0 IKAFRN CSc1nc2sc3c(c2c(=O)n1-c1ccc(OCc2ccccc2)cc1)CCCC3 ZINC000028948891 563069340 /nfs/dbraw/zinc/06/93/40/563069340.db2.gz GQAIMBGBBJWEFH-UHFFFAOYSA-N 0 0 434.586 5.627 1 0 IKAFRN O=c1cc(C(F)(F)F)c2c(ccc3c2OC[C@@H](c2ccccc2)N3CC(F)(F)F)[nH]1 ZINC000028953808 563069995 /nfs/dbraw/zinc/06/99/95/563069995.db2.gz SEMQOOQLCBQNIV-HNNXBMFYSA-N 0 0 428.332 5.049 1 0 IKAFRN Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cc(C(F)(F)F)ccc2Cl)n1CC1CC1 ZINC000028954359 563070071 /nfs/dbraw/zinc/07/00/71/563070071.db2.gz FONNLSRQODSVPE-BWAHOGKJSA-N 0 0 430.923 5.979 1 0 IKAFRN COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)c(C)n1CC1CC1 ZINC000028954364 563070118 /nfs/dbraw/zinc/07/01/18/563070118.db2.gz UBYJCLVXLMEREE-PLRJNAJWSA-N 0 0 426.504 5.334 1 0 IKAFRN COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@@H](OC(C)C)c2ccccc2-3)cc1 ZINC000028955710 563070189 /nfs/dbraw/zinc/07/01/89/563070189.db2.gz HOYNOXLHNFOKQP-MHZLTWQESA-N 0 0 425.528 5.862 1 0 IKAFRN CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(CC)ccn2)nc1CC ZINC000028956440 563070347 /nfs/dbraw/zinc/07/03/47/563070347.db2.gz QJHDQBSLVVDKTN-LADGPHEKSA-N 0 0 432.568 5.466 1 0 IKAFRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccnc1NCc1ccncc1 ZINC000028957081 563070427 /nfs/dbraw/zinc/07/04/27/563070427.db2.gz GTODNZCUIOSWJB-UHFFFAOYSA-N 0 0 440.347 5.379 1 0 IKAFRN COc1ccc(-c2ccc(OCC[N@H+](C)CC(=O)[O-])c(-c3ccccc3Cl)c2)cc1C ZINC000028958391 563070548 /nfs/dbraw/zinc/07/05/48/563070548.db2.gz OXWYTRRKVWEIFT-UHFFFAOYSA-N 0 0 439.939 5.386 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@@H]1CCc2ccc(Cl)cc2[C@H]1Cc1ccccc1 ZINC000028959254 563070640 /nfs/dbraw/zinc/07/06/40/563070640.db2.gz NFFVSJUMRUCIOC-AOYPEHQESA-N 0 0 441.962 6.351 1 0 IKAFRN COc1ccc2c(c1)CC[C@@H](NC(=O)Nc1cccc3cnccc31)[C@@H]2Cc1cccnc1 ZINC000028959322 563070655 /nfs/dbraw/zinc/07/06/55/563070655.db2.gz LNMXHEJXRPUGBT-AOYPEHQESA-N 0 0 438.531 5.101 1 0 IKAFRN O=C(Nc1cccc2n[nH]cc21)N[C@@H]1CCc2c1cccc2N1CCC(C(F)(F)F)CC1 ZINC000028964722 563071010 /nfs/dbraw/zinc/07/10/10/563071010.db2.gz TZTRDENRXZLOMH-LJQANCHMSA-N 0 0 443.473 5.151 1 0 IKAFRN CC/C=C\C/C=C\C/C=C\CCCCCCCc1cc(OC(C)=O)cc(OC(C)=O)c1 ZINC000028972213 563071258 /nfs/dbraw/zinc/07/12/58/563071258.db2.gz VMEAWLAPCVPRBS-AGRJPVHOSA-N 0 0 426.597 7.279 1 0 IKAFRN Clc1cccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)c1Cl ZINC000028976706 563071417 /nfs/dbraw/zinc/07/14/17/563071417.db2.gz QLBYLTURINLSML-UHFFFAOYSA-N 0 0 432.401 6.654 1 0 IKAFRN Clc1ccc(Cn2c(SCc3ccccc3)nnc2-c2cccs2)cc1Cl ZINC000028976654 563071431 /nfs/dbraw/zinc/07/14/31/563071431.db2.gz HTTJGVIRCCQBED-UHFFFAOYSA-N 0 0 432.401 6.654 1 0 IKAFRN Clc1ccc(CSc2nnc(-c3ccsc3)n2Cc2ccccc2)c(Cl)c1 ZINC000028976790 563071467 /nfs/dbraw/zinc/07/14/67/563071467.db2.gz KVSFDGSJKBUSMB-UHFFFAOYSA-N 0 0 432.401 6.654 1 0 IKAFRN C[C@@]1(c2cccc(OCc3ccccc3)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O ZINC000028978554 563071491 /nfs/dbraw/zinc/07/14/91/563071491.db2.gz QASCBWTWFDWZJI-QHCPKHFHSA-N 0 0 426.299 5.665 1 0 IKAFRN CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)[C@@H](O)C[C@H](O)C4(C)C ZINC000029042146 563072196 /nfs/dbraw/zinc/07/21/96/563072196.db2.gz BIOOLEHEEDQHNH-QXTLHTQPSA-N 0 0 442.728 7.140 1 0 IKAFRN Cc1cc(NC(=O)CC(C)(C)C)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029042777 563072233 /nfs/dbraw/zinc/07/22/33/563072233.db2.gz FRYNPBLEAJNBDF-UHFFFAOYSA-N 0 0 425.960 5.847 1 0 IKAFRN Cc1cc(NC(=O)OC(C)(C)C(F)(F)F)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000029043376 563072352 /nfs/dbraw/zinc/07/23/52/563072352.db2.gz VTBQYSPDWPXTIL-UHFFFAOYSA-N 0 0 447.885 5.817 1 0 IKAFRN Cc1cc(C(=O)Nc2ccc(F)cc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029043115 563072353 /nfs/dbraw/zinc/07/23/53/563072353.db2.gz IDKZXHILCWAGSS-UHFFFAOYSA-N 0 0 449.913 5.864 1 0 IKAFRN O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](c1ccccc1)N3CC(F)(F)F ZINC000029046081 563072599 /nfs/dbraw/zinc/07/25/99/563072599.db2.gz MDOUYWPWXICVMI-INIZCTEOSA-N 0 0 428.332 5.049 1 0 IKAFRN O=c1cc(OCCCn2c3ccccc3c3ccccc32)ccn1Cc1ccccc1Cl ZINC000029048009 563072749 /nfs/dbraw/zinc/07/27/49/563072749.db2.gz ZYCNTFPWNABXJA-UHFFFAOYSA-N 0 0 442.946 6.127 1 0 IKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4cccc(-c5ccccc5)c4)cc3)oc2c(C)c1 ZINC000029049418 563072875 /nfs/dbraw/zinc/07/28/75/563072875.db2.gz NDJNCPYFBWVCSB-UHFFFAOYSA-N 0 0 448.522 6.796 1 0 IKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4ccc(Cl)c(Cl)c4)cc3)oc2c(C)c1 ZINC000029049160 563072893 /nfs/dbraw/zinc/07/28/93/563072893.db2.gz STLXONCCIMLQLP-UHFFFAOYSA-N 0 0 441.314 6.436 1 0 IKAFRN Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccc(N4CCCC4)cc3o2)cc1 ZINC000029048560 563072896 /nfs/dbraw/zinc/07/28/96/563072896.db2.gz BTLRNQSIGJKLHV-UHFFFAOYSA-N 0 0 427.504 5.421 1 0 IKAFRN CCN(c1cccc2ccccc21)[C@@H]1CCCc2nc(-c3c(C)cccc3C)cc(OC)c21 ZINC000029054182 563073268 /nfs/dbraw/zinc/07/32/68/563073268.db2.gz WZHJGVYLHFQMTL-HHHXNRCGSA-N 0 0 436.599 7.431 1 0 IKAFRN CCc1cccc(CC)c1-c1ccc2c(n1)CCC[C@@H]2N(CC)c1cccc2ccccc21 ZINC000029055098 563073384 /nfs/dbraw/zinc/07/33/84/563073384.db2.gz ZJRCBWQRQHNPQZ-PMERELPUSA-N 0 0 434.627 7.931 1 0 IKAFRN O=C1c2cc(Br)cc(Br)c2N(Cc2ccc3ccccc3c2)C1=O ZINC000029057799 563073455 /nfs/dbraw/zinc/07/34/55/563073455.db2.gz WRIGNTQVYJCSMQ-UHFFFAOYSA-N 0 0 445.110 5.094 1 0 IKAFRN CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000029062035 563073798 /nfs/dbraw/zinc/07/37/98/563073798.db2.gz DWMDEHIOZHGOHZ-UHFFFAOYSA-N 0 0 437.495 6.156 1 0 IKAFRN CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@]1(C)[C@@H]3[C@H](CC[C@@H]1C2)C3(C)C ZINC000029123685 563073983 /nfs/dbraw/zinc/07/39/83/563073983.db2.gz YNGAIHZQCKBRNZ-BHUPOZNBSA-N 0 0 442.596 5.931 1 0 IKAFRN Cn1c(C(C)(C)C)c/c(=N\C(=O)c2cccc(C(F)(F)F)c2F)n1CC1CCCC1 ZINC000029124478 563074119 /nfs/dbraw/zinc/07/41/19/563074119.db2.gz DLOHHCRJVKFJLJ-OVVQPSECSA-N 0 0 425.470 5.213 1 0 IKAFRN CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(Br)cc3C)n2C)cc1 ZINC000029124762 563074181 /nfs/dbraw/zinc/07/41/81/563074181.db2.gz NDQUARXNKPUEDR-FLFQWRMESA-N 0 0 444.398 5.134 1 0 IKAFRN CCCn1nnnc1-c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000029124898 563074191 /nfs/dbraw/zinc/07/41/91/563074191.db2.gz XDEXTAYCIQMLQU-UHFFFAOYSA-N 0 0 447.757 5.871 1 0 IKAFRN Cc1c(-c2nnn(C(C)C)n2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000029124618 563074193 /nfs/dbraw/zinc/07/41/93/563074193.db2.gz UKOSGONGUGSPNH-UHFFFAOYSA-N 0 0 447.757 6.042 1 0 IKAFRN CCc1ccc(NC(=O)Cc2cs/c(=N/c3ccc(-c4ccccc4)cc3)n2C)cc1 ZINC000029124998 563074205 /nfs/dbraw/zinc/07/42/05/563074205.db2.gz QSDFXZDNZMOYOR-BYCLXTJYSA-N 0 0 427.573 5.730 1 0 IKAFRN CCCCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(F)c(Cl)c3)n2C)cc1 ZINC000029124606 563074207 /nfs/dbraw/zinc/07/42/07/563074207.db2.gz DWYGUZFTAIRRDE-ROMGYVFFSA-N 0 0 431.964 5.635 1 0 IKAFRN Cn1c(CC(=O)Nc2ccc(Cl)cc2)cs/c1=N\c1ccc(Oc2ccccc2)cc1 ZINC000029125250 563074251 /nfs/dbraw/zinc/07/42/51/563074251.db2.gz UGDICRHZNQAWJT-PNHLSOANSA-N 0 0 449.963 5.946 1 0 IKAFRN O=C1[C@@H](O)Cc2c(-c3ccccc3Cl)cc(O)cc2N1c1c(Cl)cccc1Cl ZINC000029125705 563074503 /nfs/dbraw/zinc/07/45/03/563074503.db2.gz LIMUHDUGJOAAIJ-IBGZPJMESA-N 0 0 434.706 5.601 1 0 IKAFRN Cc1c(C)n(Cc2ccccc2)c2c1nc(C(=O)N(C)C)cc2NCc1c(C)cccc1C ZINC000029128072 563075014 /nfs/dbraw/zinc/07/50/14/563075014.db2.gz YIAUIFMFDYMHGX-UHFFFAOYSA-N 0 0 440.591 5.632 1 0 IKAFRN O=C(c1ccccc1)N1N=C(c2ccc(-c3ccccc3)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000029128859 563075331 /nfs/dbraw/zinc/07/53/31/563075331.db2.gz JIVYZZMTPORXDK-MHZLTWQESA-N 0 0 436.942 6.999 1 0 IKAFRN Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12 ZINC000029129304 563075435 /nfs/dbraw/zinc/07/54/35/563075435.db2.gz DBXOMQJZSQLQED-UHFFFAOYSA-N 0 0 430.365 5.009 1 0 IKAFRN O=C1N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2-c2ccccc2)c2ccccc21 ZINC000029133157 563075901 /nfs/dbraw/zinc/07/59/01/563075901.db2.gz RONAYXZXQCHUAB-SANMLTNESA-N 0 0 432.523 5.242 1 0 IKAFRN CCCc1cc(=O)oc2c1c1c(c3c2C(=O)C[C@H](c2ccc(C)cc2)O3)C=CC(C)(C)O1 ZINC000029133710 563075978 /nfs/dbraw/zinc/07/59/78/563075978.db2.gz XVXQZNOYHCSDNW-HXUWFJFHSA-N 0 0 430.500 5.945 1 0 IKAFRN COc1cc2nccc(Oc3ccc4c(cccc4C(=O)NCC4CC4)c3)c2cc1OC ZINC000029134008 563075985 /nfs/dbraw/zinc/07/59/85/563075985.db2.gz LFDJFILTWUNEEP-UHFFFAOYSA-N 0 0 428.488 5.337 1 0 IKAFRN COc1cc2nccc(Oc3ccc4c(cccc4C(=O)NC4CCCC4)c3)c2cc1OC ZINC000029133916 563076015 /nfs/dbraw/zinc/07/60/15/563076015.db2.gz KEGATCOFPMKYRA-UHFFFAOYSA-N 0 0 442.515 5.870 1 0 IKAFRN Clc1ccc([C@@](c2ccccc2)(c2ccc(CN3CCOCC3)cc2)n2ccnc2)cc1 ZINC000029134909 563076140 /nfs/dbraw/zinc/07/61/40/563076140.db2.gz CZZZCBVEVCYMDS-HHHXNRCGSA-N 0 0 443.978 5.209 1 0 IKAFRN O=C1C[C@H](c2ccccc2)c2c(ccc3cc(-c4ccc(-c5ccccc5)cc4)ccc32)O1 ZINC000029135336 563076257 /nfs/dbraw/zinc/07/62/57/563076257.db2.gz SDARFLZMXDKZDI-MUUNZHRXSA-N 0 0 426.515 7.615 1 0 IKAFRN CCOC(=O)c1ccc(NCCCCCCCCCCCCCCCC(=O)OC)cc1 ZINC000029214003 563076746 /nfs/dbraw/zinc/07/67/46/563076746.db2.gz ZLKJZYQEWPNPGX-UHFFFAOYSA-N 0 0 433.633 6.910 1 0 IKAFRN CSc1ccc(/C=C2\CSC[C@@H]3C2=NN(C(C)=O)[C@H]3c2ccc(SC)cc2)cc1 ZINC000029244859 563077231 /nfs/dbraw/zinc/07/72/31/563077231.db2.gz OXNNTRQWIBIUKJ-VWOKLHBVSA-N 0 0 440.659 5.836 1 0 IKAFRN CCCCN(c1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2)c1c(C)cc(C)cc1C ZINC000029253788 563077411 /nfs/dbraw/zinc/07/74/11/563077411.db2.gz NLKGXCXLYYPRKC-UHFFFAOYSA-N 0 0 447.579 5.347 1 0 IKAFRN COc1ccc([C@H]2CC[C@H](OCc3ccc(-n4c(C)nc5ccccc54)cc3)O2)cc1OC ZINC000029311245 563077447 /nfs/dbraw/zinc/07/74/47/563077447.db2.gz HJQFXLTXKOEJDR-SHQCIBLASA-N 0 0 444.531 5.746 1 0 IKAFRN Cc1csc(-c2cc(-c3ccc4ccccc4c3)c3n(c2=O)CCCc2ccncc2-3)n1 ZINC000029399803 563079221 /nfs/dbraw/zinc/07/92/21/563079221.db2.gz LYALEPIXECFARJ-UHFFFAOYSA-N 0 0 435.552 6.109 1 0 IKAFRN Cc1cc2ccc1[C@@H]1CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CCC[C@H](C)CC[C@](C)(O)C2 ZINC000029405178 563079503 /nfs/dbraw/zinc/07/95/03/563079503.db2.gz JAMSPNAQAVUVME-SKTAVKRRSA-N 0 0 440.756 8.851 1 0 IKAFRN N=c1sc(-c2cc(Cl)ccn2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029415634 563079994 /nfs/dbraw/zinc/07/99/94/563079994.db2.gz AWPOGWZSYQWZID-UHFFFAOYSA-N 0 0 425.650 5.454 1 0 IKAFRN N=c1sc(-c2ccc(C(F)(F)F)cc2F)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000029416849 563080160 /nfs/dbraw/zinc/08/01/60/563080160.db2.gz MXTIJPILDAPUTA-UHFFFAOYSA-N 0 0 442.652 6.198 1 0 IKAFRN COc1ccc(C(c2cc(C(C)C)ccc(=O)c2O)c2cc(C(C)C)ccc(=O)c2O)cc1 ZINC000029416539 563080163 /nfs/dbraw/zinc/08/01/63/563080163.db2.gz YHFFLFYGVBWHAL-UHFFFAOYSA-N 0 0 446.543 5.254 1 0 IKAFRN Cc1ccccc1C(c1ccc(C(C)C)cc(=O)c1O)c1ccc(C(C)C)cc(=O)c1O ZINC000029463567 563080216 /nfs/dbraw/zinc/08/02/16/563080216.db2.gz HHUKRCFBIYLFNW-UHFFFAOYSA-N 0 0 430.544 5.554 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)N[C@@H](CO)C[C@]4(C)[C@H]3CC[C@]12C ZINC000029464152 563080266 /nfs/dbraw/zinc/08/02/66/563080266.db2.gz HFSRYBKUQYKSPJ-CDNUHCTRSA-N 0 0 431.705 6.195 1 0 IKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)N[C@@H](CO)C[C@]4(C)[C@H]3CC[C@]12C ZINC000029464155 563080287 /nfs/dbraw/zinc/08/02/87/563080287.db2.gz HFSRYBKUQYKSPJ-KJBRXDOWSA-N 0 0 431.705 6.195 1 0 IKAFRN N=c1sc(-c2ccc(OC(F)(F)F)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000029466009 563080422 /nfs/dbraw/zinc/08/04/22/563080422.db2.gz QISSPTLRSPQXJQ-UHFFFAOYSA-N 0 0 440.661 5.939 1 0 IKAFRN c1ccc(-c2nc(SCCCCCOCCc3ccccn3)[nH]c2-c2ccccc2)cc1 ZINC000029478734 563080901 /nfs/dbraw/zinc/08/09/01/563080901.db2.gz QIDFHLWDPQBJTA-UHFFFAOYSA-N 0 0 443.616 6.660 1 0 IKAFRN CCCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 ZINC000029484573 563081301 /nfs/dbraw/zinc/08/13/01/563081301.db2.gz NQNPNNATHSVJRR-NTJPGSMESA-N 0 0 434.624 6.528 1 0 IKAFRN CCCCc1cc(C(=O)NCCCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 ZINC000029485071 563081317 /nfs/dbraw/zinc/08/13/17/563081317.db2.gz LOFIGYHGTRQLGU-UHFFFAOYSA-N 0 0 446.591 5.861 1 0 IKAFRN Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@H]1N2Cc1ccccc1 ZINC000029484823 563081325 /nfs/dbraw/zinc/08/13/25/563081325.db2.gz GUUSRQYNMVBLTK-BDYUSTAISA-N 0 0 427.548 5.545 1 0 IKAFRN C[C@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000029484538 563081349 /nfs/dbraw/zinc/08/13/49/563081349.db2.gz AYVHAGIUGRHDQX-AXPFDKOBSA-N 0 0 432.514 5.875 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1OC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000029485254 563081350 /nfs/dbraw/zinc/08/13/50/563081350.db2.gz ZLEBRQZVKNTRQY-JOCHJYFZSA-N 0 0 440.584 6.288 1 0 IKAFRN O=Cc1ccn2c(c1)c(OC(=O)Nc1ccccc1)c(-c1ccccc1)c2-c1ccccc1 ZINC000029486392 563081411 /nfs/dbraw/zinc/08/14/11/563081411.db2.gz MPQOWPJWCBHWPJ-UHFFFAOYSA-N 0 0 432.479 6.697 1 0 IKAFRN Cc1cc(C)c(NC(=O)Nc2nc3ccccc3n2-c2c(Cl)cccc2Cl)c(C)c1 ZINC000029486384 563081428 /nfs/dbraw/zinc/08/14/28/563081428.db2.gz SZFFBRJMOHYRTI-UHFFFAOYSA-N 0 0 439.346 6.902 1 0 IKAFRN Cc1ccc2c(c1Br)CCN2C(=O)Nc1ccc(Oc2cccnc2C)nc1 ZINC000029489285 563081478 /nfs/dbraw/zinc/08/14/78/563081478.db2.gz PJGZNSFVSRGOBA-UHFFFAOYSA-N 0 0 439.313 5.243 1 0 IKAFRN COc1ccc(/C(=C\C=C\C(=O)N[C@H](C)CCCc2cccnc2)c2ccccc2)cc1 ZINC000029487986 563081450 /nfs/dbraw/zinc/08/14/50/563081450.db2.gz VDNHRLWFBHTMGP-KOZRAUCBSA-N 0 0 426.560 5.606 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)OC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000029487923 563081464 /nfs/dbraw/zinc/08/14/64/563081464.db2.gz JBVHKMFHWMALRV-JOCHJYFZSA-N 0 0 440.584 6.748 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ccccc1O ZINC000029487667 563081476 /nfs/dbraw/zinc/08/14/76/563081476.db2.gz ORGWNUPARMWEHX-UHFFFAOYSA-N 0 0 428.536 6.622 1 0 IKAFRN CCCCCC(=O)[C@H](CCCC)c1oc(=O)c(CCCC)c(OC(C)=O)c1CCCC ZINC000029487580 563081484 /nfs/dbraw/zinc/08/14/84/563081484.db2.gz HCQGETOIRMHVAF-FQEVSTJZSA-N 0 0 434.617 6.674 1 0 IKAFRN COc1cccc(/C(=C/C=C/C(=O)NCCCCc2cccnc2)c2cccc(F)c2)c1 ZINC000029488131 563081508 /nfs/dbraw/zinc/08/15/08/563081508.db2.gz YTWAHMJSTIPNPF-CTFIGVDSSA-N 0 0 430.523 5.356 1 0 IKAFRN Cc1cccnc1COc1ccc(NC(=O)N2CCc3cc(C)c(C(F)(F)F)cc32)cn1 ZINC000029546014 563081681 /nfs/dbraw/zinc/08/16/81/563081681.db2.gz JUDSBZSEQTUBBW-UHFFFAOYSA-N 0 0 442.441 5.286 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2cccnc2n1-c1ccccc1Cl ZINC000029547205 563081771 /nfs/dbraw/zinc/08/17/71/563081771.db2.gz XGBGXZAHOCDEKC-UHFFFAOYSA-N 0 0 447.970 6.965 1 0 IKAFRN Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(CCc3ccccn3)nc1)CC2 ZINC000029548142 563081878 /nfs/dbraw/zinc/08/18/78/563081878.db2.gz GYQBDPDLTOGCQA-UHFFFAOYSA-N 0 0 426.442 5.184 1 0 IKAFRN NC(=O)[C@@H](Cc1ccccc1)N(Cc1cc(-c2ccccc2Cl)on1)Cc1ccccc1 ZINC000029555829 563082076 /nfs/dbraw/zinc/08/20/76/563082076.db2.gz MXUNNZKDRDCYHL-XMMPIXPASA-N 0 0 445.950 5.094 1 0 IKAFRN CC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1 ZINC000029556583 563082125 /nfs/dbraw/zinc/08/21/25/563082125.db2.gz FIEAXBPSFIADBP-BJKOFHAPSA-N 0 0 436.596 5.514 1 0 IKAFRN CC(C)(C)c1ccc(S(=O)(=O)n2ccc([C@H](O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000029564254 563082467 /nfs/dbraw/zinc/08/24/67/563082467.db2.gz QMPJRYMGSCTDQY-FQEVSTJZSA-N 0 0 438.376 5.411 1 0 IKAFRN Cc1cc(-c2cc(-c3ccccc3)cc(N(C)Cc3cccc4ccccc43)n2)ccc1O ZINC000029569346 563082955 /nfs/dbraw/zinc/08/29/55/563082955.db2.gz LJASMGFZSABLPZ-UHFFFAOYSA-N 0 0 430.551 7.219 1 0 IKAFRN Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N2CCOCC2)c(C)c1 ZINC000031715908 563083452 /nfs/dbraw/zinc/08/34/52/563083452.db2.gz LZSRHPZGZOQOMC-RRPNLBNLSA-N 0 0 429.560 5.583 1 0 IKAFRN CCC(=O)C(CCCCCCOc1ccc(OCc2ccccc2)cc1Cl)=C(O)CC ZINC000032138815 563084136 /nfs/dbraw/zinc/08/41/36/563084136.db2.gz PWQSXDOCJIXQMF-UHFFFAOYSA-N 0 0 444.999 6.823 1 0 IKAFRN CC(=O)O[C@@H]1c2occc2[C@@H](O)C[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3C[C@@]21C ZINC000032296804 563084204 /nfs/dbraw/zinc/08/42/04/563084204.db2.gz HTVZLAVMRJYGFM-XOLBZSSLSA-N 0 0 428.613 6.596 1 0 IKAFRN CCCCn1c2ccc(Cl)cc2c(=O)c2c1C[C@@H](c1ccc(C(F)(F)F)cc1)CC2=O ZINC000032253145 563084232 /nfs/dbraw/zinc/08/42/32/563084232.db2.gz ZVOXGEQFLGXBIE-OAHLLOKOSA-N 0 0 447.884 6.387 1 0 IKAFRN CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1C[C@H](O)[C@]1(C)[C@@H]2CC[C@H]2[C@@]1(C)CC[C@H]1C(C)(C)CCC[C@]21C ZINC000033495853 563084511 /nfs/dbraw/zinc/08/45/11/563084511.db2.gz YARKUPNYWCQHFO-ZUXTZSAESA-N 0 0 444.744 7.220 1 0 in-vitro IKAFRN CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccccc2)nc2ccccn21 ZINC000033692965 563084602 /nfs/dbraw/zinc/08/46/02/563084602.db2.gz WEBVSLIWUHFXPU-UHFFFAOYSA-N 0 0 441.575 6.847 1 0 IKAFRN O=C(NCCCCCCCCCCCCNC(=O)c1ccccc1O)c1ccccc1O ZINC000033895975 563084973 /nfs/dbraw/zinc/08/49/73/563084973.db2.gz VLPUEXPCAHSTEB-UHFFFAOYSA-N 0 0 440.584 5.159 1 0 IKAFRN CN1CC[C@@](O)(c2ccc(Cl)cc2Cl)[C@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000033989800 563085183 /nfs/dbraw/zinc/08/51/83/563085183.db2.gz OVHJBARWJMLZJX-ZYSHUDEJSA-N 0 0 435.178 5.173 1 0 IKAFRN COc1ccc(CCNc2nc3cccc(C)c3c(N(C)Cc3ccccc3)n2)cc1OC ZINC000033998897 563085231 /nfs/dbraw/zinc/08/52/31/563085231.db2.gz CXEIOBWQFIHHJM-UHFFFAOYSA-N 0 0 442.563 5.246 1 0 IKAFRN O=C(COc1ccc(SCCCCCc2ccccc2)cc1)c1nc2ccccc2s1 ZINC000033999160 563085235 /nfs/dbraw/zinc/08/52/35/563085235.db2.gz CXHVNUUWENOUHW-UHFFFAOYSA-N 0 0 447.625 7.063 1 0 IKAFRN COC1=C(C)C(=O)O/C1=C\[C@@H](C)CCC/C(C)=C/CC[C@](C)(O)CCCc1ccoc1 ZINC000034215647 563085830 /nfs/dbraw/zinc/08/58/30/563085830.db2.gz UUWZWDHAXYJGAB-PFFZXBQKSA-N 0 0 430.585 6.247 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccc(F)cc2[nH]1)C(F)(F)F ZINC000034271127 563085910 /nfs/dbraw/zinc/08/59/10/563085910.db2.gz KNEYKCUMUCBZNB-NRFANRHFSA-N 0 0 427.413 5.659 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ccc(F)cc2[nH]1)C(F)(F)F ZINC000034271128 563085975 /nfs/dbraw/zinc/08/59/75/563085975.db2.gz KNEYKCUMUCBZNB-OAQYLSRUSA-N 0 0 427.413 5.659 1 0 IKAFRN Cc1cc(OCc2ccccc2)c(Br)c(=O)n1-c1c(Cl)cccc1Cl ZINC000034324076 563086123 /nfs/dbraw/zinc/08/61/23/563086123.db2.gz LJRWEWAERUZBPM-UHFFFAOYSA-N 0 0 439.136 5.794 1 0 IKAFRN CS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(-c3ccco3)c(Cl)c2)nc1 ZINC000034393425 563086291 /nfs/dbraw/zinc/08/62/91/563086291.db2.gz CHPVZUSZIQOXDQ-UHFFFAOYSA-N 0 0 449.866 5.189 1 0 IKAFRN Clc1ccc([C@H](COCc2ccc(-c3ccccc3)cc2)Cn2cncn2)c(Cl)c1 ZINC000034518635 563086386 /nfs/dbraw/zinc/08/63/86/563086386.db2.gz LJFNWFWCIGTAOY-NRFANRHFSA-N 0 0 438.358 6.253 1 0 IKAFRN CN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000034613239 563086470 /nfs/dbraw/zinc/08/64/70/563086470.db2.gz DJHLZEJGIJJKQF-UHFFFAOYSA-N 0 0 445.263 5.381 1 0 IKAFRN O=C([O-])CCC[N@@H+]1CCCC[C@@H]1COc1ccc(Cc2ccc(-c3ccsc3)cc2)cc1 ZINC000034637003 563086669 /nfs/dbraw/zinc/08/66/69/563086669.db2.gz FQHGCKUMBBZBFX-RUZDIDTESA-N 0 0 449.616 6.104 1 0 IKAFRN CCCCCCCCCCCC[C@H]1C[C@@]2(C)[C@H](CC[C@@H]2O)[C@H]2CCC3=CC(=O)CCC3=C21 ZINC000034799891 563087159 /nfs/dbraw/zinc/08/71/59/563087159.db2.gz AHBGXQDJONQGOL-OOLFEVRASA-N 0 0 440.712 8.090 1 0 IKAFRN Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccccc2n1Cc1ccccc1 ZINC000034808608 563087964 /nfs/dbraw/zinc/08/79/64/563087964.db2.gz MJFFSDYJUCUECB-UHFFFAOYSA-N 0 0 436.555 5.660 1 0 IKAFRN COc1cc2c(cc1OC)n(CCCc1ccccc1)cc(C(=O)c1ccc(C)cc1)c2=O ZINC000034841106 563088161 /nfs/dbraw/zinc/08/81/61/563088161.db2.gz FJHKVCURCQLVBY-UHFFFAOYSA-N 0 0 441.527 5.191 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1[S@@](C)=O)c1ccccc1 ZINC000034983326 563088616 /nfs/dbraw/zinc/08/86/16/563088616.db2.gz BQWCXAMITVBWIR-BGOLNKOXSA-N 0 0 428.557 5.520 1 0 in-vivo IKAFRN O=C1c2ccccc2[C@@](OCCNc2ccccc2)(c2ccccc2)N1Cc1ccccc1 ZINC000035064209 563089101 /nfs/dbraw/zinc/08/91/01/563089101.db2.gz RCTBIDALXDWYTR-LJAQVGFWSA-N 0 0 434.539 5.672 1 0 IKAFRN O=C1c2ccccc2[C@](OCCNc2ccccc2)(c2ccccc2)N1Cc1ccccc1 ZINC000035064206 563089104 /nfs/dbraw/zinc/08/91/04/563089104.db2.gz RCTBIDALXDWYTR-GDLZYMKVSA-N 0 0 434.539 5.672 1 0 IKAFRN O=C1CCS[C@@H](c2ccc(Cl)cc2)N1CCNc1ccnc2cc(Cl)ccc21 ZINC000035091167 563089413 /nfs/dbraw/zinc/08/94/13/563089413.db2.gz MHEKJKGYMYWSAJ-NRFANRHFSA-N 0 0 432.376 5.618 1 0 IKAFRN O=S(=O)(NCCCCNc1ccnc2cc(Cl)ccc21)c1ccc2ccccc2c1 ZINC000035190802 563089576 /nfs/dbraw/zinc/08/95/76/563089576.db2.gz LOMXLCLJLKVZRK-UHFFFAOYSA-N 0 0 439.968 5.212 1 0 IKAFRN COP(=O)(OC)[C@H](OC(=O)COc1c(Cl)cccc1Cl)c1cccs1 ZINC000035259312 563089597 /nfs/dbraw/zinc/08/95/97/563089597.db2.gz AUOCXNIQRPGYBY-HNNXBMFYSA-N 0 0 425.226 5.162 1 0 IKAFRN COc1cc(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)sc2N)cc(OC)c1OC ZINC000035920399 563090364 /nfs/dbraw/zinc/09/03/64/563090364.db2.gz RGONUCNVHVVQHZ-UHFFFAOYSA-N 0 0 437.439 5.273 1 0 IKAFRN O=C(Cc1ccc(Cl)cc1)S[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000039233088 563098906 /nfs/dbraw/zinc/09/89/06/563098906.db2.gz QDHCCHDFFBBHHY-SFHVURJKSA-N 0 0 425.768 6.087 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccccc2)cc1 ZINC000036126942 563091211 /nfs/dbraw/zinc/09/12/11/563091211.db2.gz GAZUHBWABSZZFH-UHFFFAOYSA-N 0 0 425.962 6.201 1 0 IKAFRN COc1cc(Cl)ccc1-c1nc(C(=O)NC(C)C)nn1-c1ccc(Cl)cc1Cl ZINC000036294743 563092643 /nfs/dbraw/zinc/09/26/43/563092643.db2.gz TVSIWFHSJOJFON-UHFFFAOYSA-N 0 0 439.730 5.041 1 0 IKAFRN CCCCCn1cc(C(=O)c2cccc3ccccc32)cc1-c1ccccc1C(F)(F)F ZINC000036294603 563092673 /nfs/dbraw/zinc/09/26/73/563092673.db2.gz CYPUIQJYGVOHMM-UHFFFAOYSA-N 0 0 435.489 7.748 1 0 in-vivo IKAFRN CCCCc1ccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)cc1 ZINC000036348835 563093053 /nfs/dbraw/zinc/09/30/53/563093053.db2.gz QMOHQUNUJDAEIE-UHFFFAOYSA-N 0 0 432.524 5.533 1 0 IKAFRN O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CCCCC3)ccc2c1 ZINC000036351767 563093388 /nfs/dbraw/zinc/09/33/88/563093388.db2.gz CNVFIVMZCNRFEZ-UHFFFAOYSA-N 0 0 427.470 5.815 1 0 IKAFRN O=C(Nc1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2)c1ccccc1 ZINC000036379117 563093548 /nfs/dbraw/zinc/09/35/48/563093548.db2.gz UIMQHKKHXDXZLM-QHCPKHFHSA-N 0 0 429.479 6.168 3 0 IKAFRN O=C1OC2(CCCCC2)CC2=C1[C@H]1O[C@](c3ccsc3)(Cc3c4ccccc4ccc31)O2 ZINC000036379253 563093712 /nfs/dbraw/zinc/09/37/12/563093712.db2.gz MQUHPJPRVXVQON-IGKIAQTJSA-N 0 0 444.552 6.302 1 0 IKAFRN CC(C)(C)OC(=O)NC1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000036381465 563093753 /nfs/dbraw/zinc/09/37/53/563093753.db2.gz RDAIUVQJEWLDBR-UHFFFAOYSA-N 0 0 438.391 5.066 3 0 IKAFRN COc1ccc(-c2nc3cnccn3c2NCc2ccccc2)cc1SC1CCCCC1 ZINC000036382305 563093920 /nfs/dbraw/zinc/09/39/20/563093920.db2.gz DIDFVADCMSHWGM-UHFFFAOYSA-N 0 0 444.604 6.442 3 0 IKAFRN CC[C@@H](C)Sc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1OC ZINC000036382326 563093939 /nfs/dbraw/zinc/09/39/39/563093939.db2.gz MIEHVIMITMKUCV-LJQANCHMSA-N 0 0 431.605 6.821 3 0 IKAFRN COc1ccc(CNC(=O)[C@]2(C)CCC[C@]3(C)[C@H]2CC[C@]24CC(=O)[C@](C)(C2)CC[C@@H]43)cc1 ZINC000036387938 563094670 /nfs/dbraw/zinc/09/46/70/563094670.db2.gz YLHJJCIMCUBIGM-IXUIVVTISA-N 0 0 437.624 5.684 3 0 IKAFRN COc1ccc(-c2ccc(C)cc2)cc1[C@@H]1[C@H]2C=CCC[C@]2(C)C(=O)N1Cc1ccccc1 ZINC000036388014 563094672 /nfs/dbraw/zinc/09/46/72/563094672.db2.gz UYTCXJUVDNZGAE-GFKSZRKTSA-N 0 0 437.583 6.727 1 0 IKAFRN COc1ccc(CNC(=O)[C@]2(C)CCC[C@@]3(C)[C@@H]4CC[C@@]5(C)C[C@@]4(CC5=O)CC[C@@H]23)cc1 ZINC000036387940 563094742 /nfs/dbraw/zinc/09/47/42/563094742.db2.gz YLHJJCIMCUBIGM-GAEPOHGSSA-N 0 0 437.624 5.684 3 0 IKAFRN COc1ccc(Br)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036388313 563094794 /nfs/dbraw/zinc/09/47/94/563094794.db2.gz XIZWFWLMRNKXER-SPRUFDBQSA-N 0 0 426.354 5.370 1 0 IKAFRN COc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c3cc(Br)ccc3n2C)c1 ZINC000036388650 563094866 /nfs/dbraw/zinc/09/48/66/563094866.db2.gz XNKVGQSULXPWSJ-UHFFFAOYSA-N 0 0 440.312 6.431 3 0 IKAFRN COc1cc2cnc(-c3ccccc3)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC ZINC000036388901 563094973 /nfs/dbraw/zinc/09/49/73/563094973.db2.gz GLLLDQJMIRKBRS-UHFFFAOYSA-N 0 0 431.488 5.612 3 0 IKAFRN CC(C)(C)c1ccc(Nc2ncnc3c2CCN(c2ncccc2C(F)(F)F)C3)cc1 ZINC000036410075 563095151 /nfs/dbraw/zinc/09/51/51/563095151.db2.gz FYRGCOSNHNEARX-UHFFFAOYSA-N 0 0 427.474 5.494 1 0 IKAFRN C=Cc1cc(CNC(=S)CCc2ccc(C(C)(C)C)cc2)cc(F)c1NS(C)(=O)=O ZINC000036487245 563095614 /nfs/dbraw/zinc/09/56/14/563095614.db2.gz MNCFTWGHUHAMAO-UHFFFAOYSA-N 0 0 448.629 5.188 1 0 IKAFRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2C1 ZINC000036519566 563095701 /nfs/dbraw/zinc/09/57/01/563095701.db2.gz JYNBNJRQZZSLPN-BAPIAYCRSA-N 0 0 442.728 7.140 1 0 IKAFRN C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=CCF)[C@H](O)C3)CCC[C@@]21C ZINC000037865533 563095915 /nfs/dbraw/zinc/09/59/15/563095915.db2.gz NPQPAYRGQQTLEO-UQCFKRGVSA-N 0 0 448.663 6.044 1 0 IKAFRN COc1ccccc1[C@H]1c2c(ccc3ccccc32)Oc2ncn(-c3ccccc3)c(=N)c21 ZINC000038142018 563096056 /nfs/dbraw/zinc/09/60/56/563096056.db2.gz XQQREQRWWSPKLO-VWLOTQADSA-N 0 0 431.495 5.799 3 0 IKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccccc4C)c(=N)c32)c1 ZINC000038142930 563096194 /nfs/dbraw/zinc/09/61/94/563096194.db2.gz MCCLLHPJFGKKLU-VWLOTQADSA-N 0 0 445.522 6.108 1 0 IKAFRN CC1(C(=O)Nc2ccc3[nH]c(-c4ccc(NC(=O)c5ccccc5Cl)cc4)nc3c2)CC1 ZINC000038147877 563096415 /nfs/dbraw/zinc/09/64/15/563096415.db2.gz LBRNGTYCTDCBDI-UHFFFAOYSA-N 0 0 444.922 5.874 1 0 IKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2C(F)(F)F)cc1O ZINC000038149580 563096495 /nfs/dbraw/zinc/09/64/95/563096495.db2.gz MHHIKAWBIICJFK-UHFFFAOYSA-N 0 0 426.316 5.744 1 0 IKAFRN CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2cnc3ccccc3c2)n1C ZINC000038157792 563096860 /nfs/dbraw/zinc/09/68/60/563096860.db2.gz DADHGAUCQHEAGZ-UHFFFAOYSA-N 0 0 435.915 5.145 1 0 IKAFRN CCC/C=C(\CCC)[C@H](NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000038179261 563096973 /nfs/dbraw/zinc/09/69/73/563096973.db2.gz BBGBCWNGGXINIF-KRWRZEAGSA-N 0 0 425.516 6.252 1 0 IKAFRN CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@]2(C)[C@@H]3C(=CC[C@H]21)C(=O)O[C@H]3O ZINC000038320460 563097442 /nfs/dbraw/zinc/09/74/42/563097442.db2.gz NQUDADRZXBXFOV-JMJANOEMSA-N 0 0 444.612 5.016 1 0 IKAFRN CCC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N ZINC000038841012 563098420 /nfs/dbraw/zinc/09/84/20/563098420.db2.gz IQHYUQQDFXJXRD-UHFFFAOYSA-N 0 0 445.733 7.297 1 0 IKAFRN COC(=O)[C@H](Oc1cc(C)c(Cl)c(C)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242695 563098968 /nfs/dbraw/zinc/09/89/68/563098968.db2.gz GBDCQVBAHSILIW-JOCHJYFZSA-N 0 0 431.315 6.696 1 0 IKAFRN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCCC4)C(=O)N32)cc1 ZINC000040380207 563099623 /nfs/dbraw/zinc/09/96/23/563099623.db2.gz FIOOEPVDEGOUBI-NOZRDPDXSA-N 0 0 443.547 5.178 1 0 IKAFRN CCCCCCN(CCCCCC)C(=O)C(=O)c1c2cccc(C)c2[nH]c1-c1ccccc1 ZINC000040391177 563099740 /nfs/dbraw/zinc/09/97/40/563099740.db2.gz GPUJOZUASMEZGM-UHFFFAOYSA-N 0 0 446.635 7.315 1 0 IKAFRN C[C@@H](SCCCC(C)(C)O)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000040392578 563099933 /nfs/dbraw/zinc/09/99/33/563099933.db2.gz NMDTXRWNJWFGIW-APUWGHPWSA-N 0 0 434.686 5.554 1 0 IKAFRN Clc1cc(Cl)c(Cl)c(-c2nnc3sc(-c4cccc5cnccc54)nn32)c1 ZINC000040392674 563099964 /nfs/dbraw/zinc/09/99/64/563099964.db2.gz UIWZJRUDROHQGX-UHFFFAOYSA-N 0 0 432.723 6.028 1 0 IKAFRN Nc1ncc(-c2ccc(OCCCOCc3ccccc3)cc2)c(-c2ccccc2O)n1 ZINC000040393281 563100192 /nfs/dbraw/zinc/10/01/92/563100192.db2.gz DYMINTMBMZAMJX-UHFFFAOYSA-N 0 0 427.504 5.084 1 0 IKAFRN COC1=C(C)C(=O)O/C1=C\[C@@H](C)CCC/C(C)=C/CC/C(C)=C/CCC1=C[C@@H](O)OC1=O ZINC000040394246 563100366 /nfs/dbraw/zinc/10/03/66/563100366.db2.gz YFUGMUILKDDXKV-DKMSGMTPSA-N 0 0 444.568 5.409 1 0 IKAFRN COc1ccc2c(c1)[C@@H](CCNC(=O)C1CCC1)C[C@H](c1cccc(C(F)(F)F)c1)C2 ZINC000040402769 563100954 /nfs/dbraw/zinc/10/09/54/563100954.db2.gz NOOANLAIFQUGKS-VQTJNVASSA-N 0 0 431.498 5.834 1 0 IKAFRN Fc1cc(-c2nc3scc(-c4ccc(Cl)cc4Cl)n3n2)c(Cl)cc1Cl ZINC000040403294 563101099 /nfs/dbraw/zinc/10/10/99/563101099.db2.gz XQFBARIFJDRBDW-UHFFFAOYSA-N 0 0 433.122 6.878 1 0 IKAFRN COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OC ZINC000040404224 563101167 /nfs/dbraw/zinc/10/11/67/563101167.db2.gz MPXQJBIEYPHEBG-UHFFFAOYSA-N 0 0 430.489 5.373 1 0 IKAFRN O=C([O-])C[C@@H]1CCn2c3cc[nH+]c(C4CC4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040411398 563101772 /nfs/dbraw/zinc/10/17/72/563101772.db2.gz CKSFQUBFLPPBLA-LBPRGKRZSA-N 0 0 433.360 6.334 1 0 IKAFRN CN1c2ccccc2[C@@]2(C1=O)N(C1CCCCC1)C(=O)C2(c1ccccc1)c1ccccc1 ZINC000040412566 563101860 /nfs/dbraw/zinc/10/18/60/563101860.db2.gz RGEPAQVKKISARW-LJAQVGFWSA-N 0 0 436.555 5.020 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1cc(Cl)ccc1C ZINC000040413798 563101921 /nfs/dbraw/zinc/10/19/21/563101921.db2.gz DBCGZDRTPLJVQO-DEOSSOPVSA-N 0 0 449.038 7.358 1 0 IKAFRN Cn1cc(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCC1 ZINC000040413849 563101932 /nfs/dbraw/zinc/10/19/32/563101932.db2.gz WSKLDJRIBICHHV-UHFFFAOYSA-N 0 0 427.470 5.618 1 0 IKAFRN O=C(OCc1ccccc1)c1c(Cc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc21 ZINC000040413918 563102056 /nfs/dbraw/zinc/10/20/56/563102056.db2.gz MGYJZFAHYAJOGR-UHFFFAOYSA-N 0 0 441.914 6.628 1 0 IKAFRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnc2ccccc2c1 ZINC000040414529 563102097 /nfs/dbraw/zinc/10/20/97/563102097.db2.gz LEZMCLKOWSSSBV-UHFFFAOYSA-N 0 0 449.432 6.067 1 0 IKAFRN CSc1nc(-c2ccnc(NCc3cc4ccccc4s3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000040420995 563102232 /nfs/dbraw/zinc/10/22/32/563102232.db2.gz WCBPVKDVVMCIKI-UHFFFAOYSA-N 0 0 446.576 6.827 1 0 IKAFRN Cc1ccccc1NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1 ZINC000040421639 563102332 /nfs/dbraw/zinc/10/23/32/563102332.db2.gz HVGRPEROSWDLRR-UHFFFAOYSA-N 0 0 429.455 5.369 1 0 IKAFRN FC(F)(F)c1cc(-n2cc(-c3ccccc3NCc3ccncc3)nn2)ccc1Cl ZINC000040421840 563102354 /nfs/dbraw/zinc/10/23/54/563102354.db2.gz LGCGYTIFFVJNEN-UHFFFAOYSA-N 0 0 429.833 5.614 1 0 IKAFRN C[C@H](Cc1cccc(Oc2cccc(C(=O)[O-])c2)c1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000040422400 563102430 /nfs/dbraw/zinc/10/24/30/563102430.db2.gz SDXNMKXISDPYTA-MWTRTKDXSA-N 0 0 425.912 5.085 1 0 IKAFRN COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc21 ZINC000040422770 563102466 /nfs/dbraw/zinc/10/24/66/563102466.db2.gz KAFUZFJSHOPUIZ-UHFFFAOYSA-N 0 0 430.556 5.745 1 0 IKAFRN CC[C@H](Cn1nc(C(F)(F)F)cc1[C@H]1CCCO1)OC(=O)Nc1ccc(F)cc1F ZINC000040423234 563102538 /nfs/dbraw/zinc/10/25/38/563102538.db2.gz ZIBZWXYVKGDRQD-MLGOLLRUSA-N 0 0 433.377 5.059 1 0 IKAFRN O=c1[nH]c(=S)[nH]c(-c2cccc(Br)c2)c1Cc1c(O)ccc2ccccc21 ZINC000040423300 563102609 /nfs/dbraw/zinc/10/26/09/563102609.db2.gz LJNBGDQNOTUDAP-UHFFFAOYSA-N 0 0 439.334 5.724 1 0 IKAFRN CC(=O)O[C@@H]1OCC2=CC[C@H]3[C@]4(C)CC[C@H]5C(C)(C)CCC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]21 ZINC000040423372 563102718 /nfs/dbraw/zinc/10/27/18/563102718.db2.gz KFTWUORYIYZBGS-PTOVQJCFSA-N 0 0 428.613 5.696 1 0 IKAFRN Cc1ccccc1[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000040423778 563102767 /nfs/dbraw/zinc/10/27/67/563102767.db2.gz OLLPWANHULOQCI-XMMPIXPASA-N 0 0 426.004 5.398 1 0 IKAFRN O=C1/C(=C/c2c(Cl)cccc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000040423897 563102818 /nfs/dbraw/zinc/10/28/18/563102818.db2.gz UXBLLQOGCLYYKE-ACCUITESSA-N 0 0 435.137 7.519 1 0 IKAFRN Cc1ccc(Nc2nn3c(COc4ccc(-c5ccccc5)cc4)nnc3s2)c(C)c1 ZINC000040423845 563102828 /nfs/dbraw/zinc/10/28/28/563102828.db2.gz OUDPAYOWWXWVEP-UHFFFAOYSA-N 0 0 427.533 5.792 1 0 IKAFRN CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000040424278 563102852 /nfs/dbraw/zinc/10/28/52/563102852.db2.gz ZKMBUJRGRUFRBT-WMZOPIPTSA-N 0 0 426.394 5.474 1 0 IKAFRN O=C1CS[C@H](c2c(Br)cccc2Br)N1Cc1cccs1 ZINC000040424057 563102866 /nfs/dbraw/zinc/10/28/66/563102866.db2.gz SZIANFCRAWCVBM-CQSZACIVSA-N 0 0 433.190 5.047 1 0 IKAFRN COc1ccc(Br)cc1[C@@H]1Sc2ccc(C(F)(F)F)cc2N(C)C1=O ZINC000040424382 563102956 /nfs/dbraw/zinc/10/29/56/563102956.db2.gz LJVSNRFQDYECPE-HNNXBMFYSA-N 0 0 432.261 5.286 1 0 IKAFRN CCOC(=O)c1coc(COc2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)n1 ZINC000040425333 563103052 /nfs/dbraw/zinc/10/30/52/563103052.db2.gz OTGMXRBNRSHNIW-UHFFFAOYSA-N 0 0 434.292 5.016 1 0 IKAFRN Cn1c(-c2ccc(-c3ccncc3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1 ZINC000040425278 563103059 /nfs/dbraw/zinc/10/30/59/563103059.db2.gz LXGZRMOAZHRDOH-UHFFFAOYSA-N 0 0 435.358 6.321 1 0 IKAFRN CC1(C)C[C@H](NC(=S)Nc2ccccc2Cl)c2cc(Br)ccc2O1 ZINC000040430509 563103522 /nfs/dbraw/zinc/10/35/22/563103522.db2.gz TUBPYFDYIFDFBD-HNNXBMFYSA-N 0 0 425.779 5.691 1 0 IKAFRN c1ccc(COC[C@H]2O[C@@H]3C[C@@H]3[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 ZINC000040566960 563104949 /nfs/dbraw/zinc/10/49/49/563104949.db2.gz KNARNYHTGSHJAX-DJOAIXOZSA-N 0 0 430.544 5.161 1 0 IKAFRN COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC[NH+]1CCCCC1 ZINC000040567205 563105043 /nfs/dbraw/zinc/10/50/43/563105043.db2.gz UQKZWXZIVDUDJS-UHFFFAOYSA-N 0 0 430.548 5.479 1 0 IKAFRN CC(C)Nc1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2[nH]1 ZINC000040567537 563105054 /nfs/dbraw/zinc/10/50/54/563105054.db2.gz JVDKBJMEHYWUSI-UHFFFAOYSA-N 0 0 435.940 5.464 1 0 IKAFRN COc1ccc([C@H]2[C@H]3CCc4ccc(OCc5ccccc5)cc4C3=NN2C(C)=O)cc1 ZINC000040584949 563105478 /nfs/dbraw/zinc/10/54/78/563105478.db2.gz BGEFUBSUSGWINO-IGKIAQTJSA-N 0 0 426.516 5.144 1 0 IKAFRN C[C@H]([C@H](O)CCC(C)(C)Cl)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000040656153 563105856 /nfs/dbraw/zinc/10/58/56/563105856.db2.gz PMXIIPKRWSYLTI-AKBOQUKDSA-N 0 0 437.108 6.721 1 0 IKAFRN CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccccc1 ZINC000040822320 563107021 /nfs/dbraw/zinc/10/70/21/563107021.db2.gz YSFKIFGAKGVMEF-UHFFFAOYSA-N 0 0 445.606 7.579 1 0 IKAFRN CC(C)[C@H](CO)Nc1nc2c(ncn2C(C)C)c(Nc2cccc(-c3ccccc3)c2)n1 ZINC000040835371 563107172 /nfs/dbraw/zinc/10/71/72/563107172.db2.gz MXEURNZDWSQFOE-NRFANRHFSA-N 0 0 430.556 5.247 1 0 IKAFRN NC(=S)N1N=C(c2cccc(Br)c2)C[C@@H]1c1cccc(Cl)c1Cl ZINC000040834339 563107195 /nfs/dbraw/zinc/10/71/95/563107195.db2.gz RWXHIDWNUCEXAN-CQSZACIVSA-N 0 0 429.170 5.151 1 0 IKAFRN CCCOc1cc(-c2ccc(CC[NH2+][C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)[O-] ZINC000040835866 563107244 /nfs/dbraw/zinc/10/72/44/563107244.db2.gz BAYKLYYVFBMQAJ-SIBVEZHUSA-N 0 0 433.548 5.095 1 0 IKAFRN O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cncc(Cl)c1 ZINC000040846583 563107494 /nfs/dbraw/zinc/10/74/94/563107494.db2.gz GHMCSEGAQKLUMX-UHFFFAOYSA-N 0 0 434.727 5.211 1 0 IKAFRN c1nc(-c2csc3ccccc23)n(C2CCC3(CC2)OCCO3)c1CC1CCCCC1 ZINC000040846405 563107525 /nfs/dbraw/zinc/10/75/25/563107525.db2.gz QXEAZKZAJJJXTD-UHFFFAOYSA-N 0 0 436.621 6.746 1 0 IKAFRN CCOc1ccc(NC2=Nn3c(nnc3-c3cc(F)c(Cl)cc3Cl)SC2)cc1 ZINC000040846898 563107587 /nfs/dbraw/zinc/10/75/87/563107587.db2.gz ITTYGHBEQDFFOZ-UHFFFAOYSA-N 0 0 438.315 5.169 1 0 IKAFRN O=C(COc1ccc2oc(-c3ccccc3)cc(=O)c2c1)Nc1ccc(-c2ccccc2)cc1 ZINC000040861367 563108115 /nfs/dbraw/zinc/10/81/15/563108115.db2.gz VAYVLNABHICECR-UHFFFAOYSA-N 0 0 447.490 6.145 1 0 IKAFRN FC(F)(Cl)Oc1ccc(Nc2nnc(-c3cccc(Cl)c3)c3ccccc23)cc1 ZINC000040861888 563108217 /nfs/dbraw/zinc/10/82/17/563108217.db2.gz QIWZCABGCJCNDW-UHFFFAOYSA-N 0 0 432.257 6.862 1 0 IKAFRN COc1ccc2cc([C@@H](C)c3nnc(COc4ccc(-c5ccccc5)cc4)o3)ccc2c1 ZINC000040862257 563108274 /nfs/dbraw/zinc/10/82/74/563108274.db2.gz LTRSUSCOKZSHHG-LJQANCHMSA-N 0 0 436.511 6.629 1 0 IKAFRN C[C@H](SCCCC(C)(C)O)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000040863712 563108563 /nfs/dbraw/zinc/10/85/63/563108563.db2.gz NMDTXRWNJWFGIW-ATSVYIIRSA-N 0 0 434.686 5.554 1 0 IKAFRN CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3)cc2C)n1 ZINC000040865330 563108641 /nfs/dbraw/zinc/10/86/41/563108641.db2.gz SNOXVTGWCWHMIO-UHFFFAOYSA-N 0 0 426.480 5.325 1 0 IKAFRN C/C(=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CCC[C@@H](C)C(=O)[C@@H](O)CC(C)C ZINC000040866218 563108803 /nfs/dbraw/zinc/10/88/03/563108803.db2.gz BVMBUTKOXFARAC-AGCWGNNWSA-N 0 0 430.629 6.293 1 0 IKAFRN COC1=C(C)C(=O)OC1=C[C@@H](C)CCC/C(C)=C/CCC(C)C=CC(=O)c1ccoc1 ZINC000040867201 563108940 /nfs/dbraw/zinc/10/89/40/563108940.db2.gz ASORITUWYGRKCK-XXEGYUQGSA-N 0 0 426.553 6.693 1 0 IKAFRN Cc1cc(NC(=O)c2ccco2)c2cc(NC(=O)Nc3ccc(C)c(Cl)c3)ccc2n1 ZINC000040867097 563108958 /nfs/dbraw/zinc/10/89/58/563108958.db2.gz LALCRHAFFLLXFF-UHFFFAOYSA-N 0 0 434.883 5.994 1 0 IKAFRN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1nnc(-c2ccccc2)s1 ZINC000040867045 563108962 /nfs/dbraw/zinc/10/89/62/563108962.db2.gz DTVJZNGYIHSZCI-NTCAYCPXSA-N 0 0 442.931 5.728 1 0 IKAFRN CCCCN(CCCC)C(=O)C(=O)c1c2cc(Cl)ccc2[nH]c1-c1ccc(F)cc1 ZINC000040872774 563109008 /nfs/dbraw/zinc/10/90/08/563109008.db2.gz SHAJDGKSKQTLKC-UHFFFAOYSA-N 0 0 428.935 6.239 1 0 IKAFRN C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c1=O ZINC000043009901 563116472 /nfs/dbraw/zinc/11/64/72/563116472.db2.gz SQKXWTQRMQRCRW-SSDOTTSWSA-N 0 0 426.653 5.937 1 0 IKAFRN CN1N=C(c2ccc(Cl)cc2Cl)[C@@H](n2ccnc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000040874572 563109330 /nfs/dbraw/zinc/10/93/30/563109330.db2.gz QCQBZPCOULUFAT-RTBURBONSA-N 0 0 440.161 6.129 1 0 IKAFRN Cc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(Br)cc4)cc32)cc1 ZINC000040874870 563109376 /nfs/dbraw/zinc/10/93/76/563109376.db2.gz ZOPWXMNPKIJZMB-UHFFFAOYSA-N 0 0 448.324 6.088 1 0 IKAFRN CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000040875608 563109395 /nfs/dbraw/zinc/10/93/95/563109395.db2.gz KRERYLCPVZJZQM-WMZOPIPTSA-N 0 0 425.501 5.186 1 0 IKAFRN CC(=O)c1cccc(NC(=O)Nc2ccc3nc(C)cc(NC(=O)c4ccccc4)c3c2)c1 ZINC000040877296 563109504 /nfs/dbraw/zinc/10/95/04/563109504.db2.gz FDYQBBHBDAHLNS-UHFFFAOYSA-N 0 0 438.487 5.642 1 0 IKAFRN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2ncnc(Nc3cccc(F)c3)c2c1 ZINC000040877555 563109597 /nfs/dbraw/zinc/10/95/97/563109597.db2.gz PHRNYUZVFQBLAA-UHFFFAOYSA-N 0 0 442.281 6.463 1 0 IKAFRN Cc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc32)cc1 ZINC000040880012 563109746 /nfs/dbraw/zinc/10/97/46/563109746.db2.gz OOYJRCMBOXXNKT-UHFFFAOYSA-N 0 0 438.318 6.633 1 0 IKAFRN Cc1ccc(NC(=O)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)cc1Cl ZINC000040879869 563109750 /nfs/dbraw/zinc/10/97/50/563109750.db2.gz QBRFWXVCVPDOHG-UHFFFAOYSA-N 0 0 438.318 6.633 1 0 IKAFRN O=C(Nc1ccc(Br)cc1)Nc1ccc2ncnc(Nc3ccccc3)c2c1 ZINC000040891531 563109819 /nfs/dbraw/zinc/10/98/19/563109819.db2.gz VQIRYFDKYVCCSK-UHFFFAOYSA-N 0 0 434.297 5.780 1 0 IKAFRN COc1nc2ccc(Br)cc2cc1[C@H](Nc1cccc(C)n1)c1ccccc1 ZINC000040891871 563109995 /nfs/dbraw/zinc/10/99/95/563109995.db2.gz FNNJEJDSIQRCRH-JOCHJYFZSA-N 0 0 434.337 5.911 1 0 IKAFRN CC[C@@]12C[C@H](O)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(OCc3cccnc3C)ccc12 ZINC000040892959 563110174 /nfs/dbraw/zinc/11/01/74/563110174.db2.gz QMEABTMHWZQTND-AKJWSFQKSA-N 0 0 443.587 5.222 1 0 IKAFRN O=C(NCCCCCNc1ccnc2cc(Cl)ccc21)C12CC3CC(CC(C3)C1)C2 ZINC000040894801 563110304 /nfs/dbraw/zinc/11/03/04/563110304.db2.gz HVTUFNRDXKNMRH-UHFFFAOYSA-N 0 0 426.004 5.803 1 0 IKAFRN CC(C)c1c(=O)[nH]c(SCC(=O)c2ccc(F)cc2)nc1Cc1c(F)cccc1Cl ZINC000040895191 563110403 /nfs/dbraw/zinc/11/04/03/563110403.db2.gz YSMQGEKDHWCFNN-UHFFFAOYSA-N 0 0 448.922 5.391 1 0 IKAFRN O=C(CC12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC000040896282 563110457 /nfs/dbraw/zinc/11/04/57/563110457.db2.gz ZQCOSRXPCNZYFP-UHFFFAOYSA-N 0 0 431.576 5.100 1 0 IKAFRN O=C(NCCc1ccc(OCc2ccccc2)cc1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000040896288 563110484 /nfs/dbraw/zinc/11/04/84/563110484.db2.gz CTJRGNPKWPMBEO-UHFFFAOYSA-N 0 0 432.608 5.714 1 0 IKAFRN CCOC(=O)c1cc(CCOc2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)on1 ZINC000040897687 563110648 /nfs/dbraw/zinc/11/06/48/563110648.db2.gz FNUMOCOHNYOTGA-UHFFFAOYSA-N 0 0 448.319 5.059 1 0 IKAFRN Cc1ccc(-c2c(C(=O)NC3CCCCC3)cnn2-c2ccc(Cl)cc2Cl)cc1 ZINC000040897555 563110670 /nfs/dbraw/zinc/11/06/70/563110670.db2.gz MMWRZZIWYYZCBC-UHFFFAOYSA-N 0 0 428.363 6.217 1 0 IKAFRN Cc1nc(Nc2ccc(Cl)cc2)sc1-c1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000040914869 563111266 /nfs/dbraw/zinc/11/12/66/563111266.db2.gz CFFWKVSXLOBZMB-UHFFFAOYSA-N 0 0 444.947 6.215 1 0 IKAFRN CNc1nc2cc(OC)c(OC)cc2c(Nc2ccc(-c3nc4ccccc4s3)cc2)n1 ZINC000040914751 563111278 /nfs/dbraw/zinc/11/12/78/563111278.db2.gz JMAGQLOPVXHYBU-UHFFFAOYSA-N 0 0 443.532 5.709 1 0 IKAFRN COc1ccc(OC)c(OC)c1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000040915678 563111365 /nfs/dbraw/zinc/11/13/65/563111365.db2.gz QLISVOXDWPAPCW-WCGUESEVSA-N 0 0 440.668 8.401 1 0 IKAFRN O=S1(=O)Oc2ccccc2N(CCc2ccc(-c3ccccc3)cc2)c2ncccc21 ZINC000040916260 563111441 /nfs/dbraw/zinc/11/14/41/563111441.db2.gz YMYLPURJJIQYFS-UHFFFAOYSA-N 0 0 428.513 5.211 1 0 IKAFRN CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(O)c2ncccc12 ZINC000040918521 563111834 /nfs/dbraw/zinc/11/18/34/563111834.db2.gz ALNQTNOVDDQCFS-UHFFFAOYSA-N 0 0 432.442 5.897 1 0 IKAFRN COc1ccc([C@@H](C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000040918966 563111926 /nfs/dbraw/zinc/11/19/26/563111926.db2.gz BDKFRSTWXMRHIP-LJAQVGFWSA-N 0 0 435.567 6.166 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1ccccc1C(C)=O ZINC000040933432 563112221 /nfs/dbraw/zinc/11/22/21/563112221.db2.gz SMZHFIFHPVFBPX-HSZRJFAPSA-N 0 0 428.576 6.574 1 0 IKAFRN CCSC(=S)SCC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000040933545 563112227 /nfs/dbraw/zinc/11/22/27/563112227.db2.gz DPTCMKCWMRUELD-UHFFFAOYSA-N 0 0 446.040 5.095 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1ccc(F)cc1CO ZINC000040934079 563112279 /nfs/dbraw/zinc/11/22/79/563112279.db2.gz UKVFXQUNOUOXSL-QFIPXVFZSA-N 0 0 434.555 6.003 1 0 IKAFRN O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000040934065 563112304 /nfs/dbraw/zinc/11/23/04/563112304.db2.gz RRCKWKQIWXVACQ-OAQYLSRUSA-N 0 0 440.465 5.589 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1cc(OC)ccc1C ZINC000040934838 563112565 /nfs/dbraw/zinc/11/25/65/563112565.db2.gz DOKDYONJNNVZHC-VWLOTQADSA-N 0 0 444.619 6.713 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C)c1cc(C)ccc1C ZINC000040934836 563112578 /nfs/dbraw/zinc/11/25/78/563112578.db2.gz OCBXNASIFNRGMJ-RUZDIDTESA-N 0 0 428.620 7.013 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cc(Cl)ccc1C ZINC000040936231 563112731 /nfs/dbraw/zinc/11/27/31/563112731.db2.gz FJSNFSDCNQDNOE-NRFANRHFSA-N 0 0 435.011 7.333 1 0 IKAFRN O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000040936012 563112775 /nfs/dbraw/zinc/11/27/75/563112775.db2.gz CVWDILINRDAORG-FQEVSTJZSA-N 0 0 440.465 5.589 1 0 IKAFRN CCCc1[nH+]ccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@@H]1CC(=O)[O-] ZINC000040937243 563112969 /nfs/dbraw/zinc/11/29/69/563112969.db2.gz YXJFHHCBCZJNEC-CYBMUJFWSA-N 0 0 449.403 6.799 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(O)ccc(O)c1OC(C)=O ZINC000040938035 563113178 /nfs/dbraw/zinc/11/31/78/563113178.db2.gz VLLSMOKWYCNDEY-MLAGYPMBSA-N 0 0 440.624 7.711 1 0 IKAFRN Nc1nc2[nH]c(CCc3ccccc3Cl)cc2c(Nc2cccc(Br)c2)n1 ZINC000040939145 563113258 /nfs/dbraw/zinc/11/32/58/563113258.db2.gz ZFOINLDOMHQFOQ-UHFFFAOYSA-N 0 0 442.748 5.485 1 0 IKAFRN CC(C)c1[nH+]ccc2c1c(Sc1c(Cl)cccc1Cl)c1n2CC[C@@H]1CC(=O)[O-] ZINC000040939954 563113403 /nfs/dbraw/zinc/11/34/03/563113403.db2.gz MYYRBELEOPTTFG-GFCCVEGCSA-N 0 0 435.376 6.580 1 0 IKAFRN COC(C)(C)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O ZINC000040943073 563113517 /nfs/dbraw/zinc/11/35/17/563113517.db2.gz ZYVLQPWWJVOLAX-UHFFFAOYSA-N 0 0 444.362 5.269 1 0 IKAFRN CCCCN(C)C(=O)Cc1c(-c2ccc(Cl)c(N)c2)nc2c(Cl)cc(Cl)cn12 ZINC000040943158 563113566 /nfs/dbraw/zinc/11/35/66/563113566.db2.gz DFGUYFLOROSCRR-UHFFFAOYSA-N 0 0 439.774 5.345 1 0 IKAFRN C(=C/c1cc(/C=C/c2ccccc2)nc(NCc2cccc3ccccc32)n1)\c1ccccc1 ZINC000040949748 563113719 /nfs/dbraw/zinc/11/37/19/563113719.db2.gz KNCOVEBJPVNMDZ-FRCMOREXSA-N 0 0 439.562 7.583 1 0 IKAFRN O=C(Nc1ccc(F)cc1)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1 ZINC000040949333 563113760 /nfs/dbraw/zinc/11/37/60/563113760.db2.gz XYQVLRTYZYMTGY-UHFFFAOYSA-N 0 0 433.418 5.200 1 0 IKAFRN Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(Oc3ccccc3)c2)c1C ZINC000040950919 563113865 /nfs/dbraw/zinc/11/38/65/563113865.db2.gz DONUTQXTZINJRU-DEOSSOPVSA-N 0 0 427.504 5.362 1 0 IKAFRN CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2cccc(F)c2)C(C)(C)C)c1O ZINC000040951064 563113995 /nfs/dbraw/zinc/11/39/95/563113995.db2.gz WEFKYMFEHYSMKG-SFHVURJKSA-N 0 0 443.548 5.028 1 0 IKAFRN Clc1ccccc1[C@@H]1CC(c2ccccc2)=NN1c1nc2nc3ccccc3nc2s1 ZINC000040951643 563114006 /nfs/dbraw/zinc/11/40/06/563114006.db2.gz YJXJHDWUQIGAEU-NRFANRHFSA-N 0 0 441.947 6.249 1 0 IKAFRN CCc1ccccc1[C@@H]1CC(c2ccccc2)=NN1c1nc2nc3ccccc3nc2s1 ZINC000040951557 563114017 /nfs/dbraw/zinc/11/40/17/563114017.db2.gz LBVUMSUETCSESJ-QHCPKHFHSA-N 0 0 435.556 6.158 1 0 IKAFRN c1ccc(CSc2cc(SCc3ccccc3)nc(SCc3ccccc3)n2)cc1 ZINC000040953811 563114356 /nfs/dbraw/zinc/11/43/56/563114356.db2.gz MTTMONKWHRKFSY-UHFFFAOYSA-N 0 0 446.666 7.354 1 0 IKAFRN NC(=S)Nc1cccc(OCCCCCOc2cccc(C(=O)c3ccccc3)c2)c1 ZINC000040953953 563114399 /nfs/dbraw/zinc/11/43/99/563114399.db2.gz KRYOEORZXQVBMX-UHFFFAOYSA-N 0 0 434.561 5.201 1 0 IKAFRN Cc1ccc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)o1 ZINC000040954897 563114558 /nfs/dbraw/zinc/11/45/58/563114558.db2.gz XKKURHTXUQVPTG-UHFFFAOYSA-N 0 0 428.580 5.751 1 0 IKAFRN CCOc1nc(C(c2ccccc2)c2ccccc2)oc1C(=O)Oc1cncc(Cl)c1 ZINC000040955858 563114648 /nfs/dbraw/zinc/11/46/48/563114648.db2.gz WEDRAEBONXESLT-UHFFFAOYSA-N 0 0 434.879 5.521 1 0 IKAFRN CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO ZINC000040973336 563115023 /nfs/dbraw/zinc/11/50/23/563115023.db2.gz IWHGIUPHPWHJHD-LCGGPHJGSA-N 0 0 432.689 6.176 1 0 IKAFRN O=C([O-])c1ccc(-c2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CCC3)cc1 ZINC000040974434 563115206 /nfs/dbraw/zinc/11/52/06/563115206.db2.gz GAHCDAQSFPIJLO-DQEYMECFSA-N 0 0 435.951 5.276 1 0 IKAFRN Cc1nccn1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1 ZINC000040975745 563115260 /nfs/dbraw/zinc/11/52/60/563115260.db2.gz CACAJKPBVJNEFC-UHFFFAOYSA-N 0 0 438.362 5.753 1 0 IKAFRN COc1cc(NCc2ccco2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000040976069 563115382 /nfs/dbraw/zinc/11/53/82/563115382.db2.gz NQWLDYQSVOCLKR-UHFFFAOYSA-N 0 0 428.410 6.568 1 0 IKAFRN O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1 ZINC000040980183 563115570 /nfs/dbraw/zinc/11/55/70/563115570.db2.gz MCIZGOQWUXVZJP-UHFFFAOYSA-N 0 0 438.176 5.832 1 0 IKAFRN O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1nnc(-c2cccc(Cl)c2)s1 ZINC000040981230 563115671 /nfs/dbraw/zinc/11/56/71/563115671.db2.gz APRGKEVQIMNTAG-BUHFOSPRSA-N 0 0 442.931 5.728 1 0 IKAFRN CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cccc(Br)c3)cc1OC2(C)C ZINC000042851644 563115765 /nfs/dbraw/zinc/11/57/65/563115765.db2.gz HJVPRKXONIWSBC-WOJBJXKFSA-N 0 0 441.409 7.092 1 0 IKAFRN Fc1ccc(Cn2nc3c(cccc3C(F)(F)F)c2-c2ccc(Cl)cc2)c(Cl)c1 ZINC000042888320 563116026 /nfs/dbraw/zinc/11/60/26/563116026.db2.gz IQTBHLOUVIJISQ-UHFFFAOYSA-N 0 0 439.239 7.216 1 0 IKAFRN CCOc1ccc(C(=O)c2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1 ZINC000042922049 563116132 /nfs/dbraw/zinc/11/61/32/563116132.db2.gz HOBVUZMCMGOJAM-UHFFFAOYSA-N 0 0 435.568 5.194 1 0 IKAFRN COc1cc(-c2cc(-c3cccs3)c3c4c(sc3n2)CCCC4)cc(OC)c1OC ZINC000042963927 563116262 /nfs/dbraw/zinc/11/62/62/563116262.db2.gz AJSLPAJHZOGDAM-UHFFFAOYSA-N 0 0 437.586 6.596 1 0 IKAFRN Nc1scc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(=O)c1ccc(Cl)cc1 ZINC000043009444 563116348 /nfs/dbraw/zinc/11/63/48/563116348.db2.gz IVHJBJJHYFIUOA-UHFFFAOYSA-N 0 0 449.803 6.919 1 0 IKAFRN CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)O[C@@]2(CCCC)OC ZINC000043010727 563116491 /nfs/dbraw/zinc/11/64/91/563116491.db2.gz SIFVKFNQJLVAOD-RUZDIDTESA-N 0 0 444.524 5.791 1 0 IKAFRN Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000043013107 563116640 /nfs/dbraw/zinc/11/66/40/563116640.db2.gz QOCJGFVGVAIJLM-DEOSSOPVSA-N 0 0 441.556 5.355 1 0 IKAFRN CCCCCCSc1cc(Cl)c(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1 ZINC000043013425 563116666 /nfs/dbraw/zinc/11/66/66/563116666.db2.gz SDIUDOVZZBNZQQ-UHFFFAOYSA-N 0 0 445.456 5.403 1 0 IKAFRN CN(c1ccccc1)c1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)n1 ZINC000043060026 563117510 /nfs/dbraw/zinc/11/75/10/563117510.db2.gz JVTATFGCZBSYAY-UHFFFAOYSA-N 0 0 433.508 5.121 1 0 IKAFRN C[C@@H](O)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1 ZINC000043059979 563117566 /nfs/dbraw/zinc/11/75/66/563117566.db2.gz PZYHGXGNJUMRKE-CQSZACIVSA-N 0 0 425.410 5.326 1 0 IKAFRN C[C@H](O)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1 ZINC000043059977 563117598 /nfs/dbraw/zinc/11/75/98/563117598.db2.gz PZYHGXGNJUMRKE-AWEZNQCLSA-N 0 0 425.410 5.326 1 0 IKAFRN COc1cccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2[C@@H]2CCCN2C(C)=O)c1 ZINC000043065531 563117857 /nfs/dbraw/zinc/11/78/57/563117857.db2.gz MUZCVTNDUYLZRF-QHCPKHFHSA-N 0 0 428.492 5.109 1 0 IKAFRN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000043074644 563118221 /nfs/dbraw/zinc/11/82/21/563118221.db2.gz UGDZGCTWWFCKFQ-DEOSSOPVSA-N 0 0 449.348 5.726 1 0 IKAFRN CCNC(=O)N1CCC[C@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1 ZINC000043078131 563118380 /nfs/dbraw/zinc/11/83/80/563118380.db2.gz GIMOWYWHWAUYLT-QFIPXVFZSA-N 0 0 445.498 5.423 1 0 IKAFRN Cc1c(C)n(Cc2ccccc2)c2c1cc(C(=O)N(C)C)nc2OCc1ccc(F)cc1 ZINC000043129366 563119056 /nfs/dbraw/zinc/11/90/56/563119056.db2.gz QZANCBSHYXEOJS-UHFFFAOYSA-N 0 0 431.511 5.121 1 0 IKAFRN O=C(Nc1cccc(C(F)(F)F)c1)c1c[nH]c2cccc(SCc3ccncc3)c21 ZINC000043204781 563119493 /nfs/dbraw/zinc/11/94/93/563119493.db2.gz BZOKHQUEPMHLKF-UHFFFAOYSA-N 0 0 427.451 6.126 1 0 in-vivo IKAFRN CC(C)c1cccc(-c2c(NC(=O)[C@@H]3C[C@H]3C)snc2-c2ccc3nn(C)cc3c2)n1 ZINC000043208721 563119743 /nfs/dbraw/zinc/11/97/43/563119743.db2.gz FYGXJVFGWUEFMS-RHSMWYFYSA-N 0 0 431.565 5.477 1 0 IKAFRN CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000043562085 563120804 /nfs/dbraw/zinc/12/08/04/563120804.db2.gz OISWGDKPEUZHCQ-XWYUKRRESA-N 0 0 428.745 8.105 1 0 IKAFRN CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000043620415 563120976 /nfs/dbraw/zinc/12/09/76/563120976.db2.gz ARXHRTZAVQOQEU-LYHJVHLQSA-N 0 0 430.673 5.496 1 0 IKAFRN O=C(CCc1c[nH]cn1)Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1 ZINC000045167155 563122322 /nfs/dbraw/zinc/12/23/22/563122322.db2.gz HVLLCLCDZIUPIJ-UHFFFAOYSA-N 0 0 431.496 5.392 1 0 IKAFRN COc1cc(C)nc2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21 ZINC000045167752 563122476 /nfs/dbraw/zinc/12/24/76/563122476.db2.gz MWDFRWYSOAVEMK-UHFFFAOYSA-N 0 0 428.332 5.842 1 0 IKAFRN Brc1cccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)c1 ZINC000045169167 563122762 /nfs/dbraw/zinc/12/27/62/563122762.db2.gz NSNIPIUDLQOQGK-UHFFFAOYSA-N 0 0 433.309 6.519 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)[C@H]1CCc2ccccc2O1 ZINC000045186997 563122814 /nfs/dbraw/zinc/12/28/14/563122814.db2.gz DEDLUVNIWGZLLU-OAQYLSRUSA-N 0 0 441.314 5.578 1 0 IKAFRN CC(C)(CNC(=O)C=Cc1ccc(Cl)c(Cl)c1)CNc1cc(=O)c2ccccc2[nH]1 ZINC000045188095 563122995 /nfs/dbraw/zinc/12/29/95/563122995.db2.gz KOXWWMVHWVDRPV-CSKARUKUSA-N 0 0 444.362 5.103 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000045189936 563123376 /nfs/dbraw/zinc/12/33/76/563123376.db2.gz CDSOCYHZZSNBLR-UHFFFAOYSA-N 0 0 438.918 7.194 1 0 IKAFRN O=C(Nc1ccc(N2CCC(Nc3ccccn3)CC2)cc1)c1cnc(Cl)c(Cl)c1 ZINC000045191121 563123595 /nfs/dbraw/zinc/12/35/95/563123595.db2.gz FJANUTOLCCMVFW-UHFFFAOYSA-N 0 0 442.350 5.117 1 0 IKAFRN Cc1c(Cl)cccc1S(=O)(=O)N1CCCCC(c2ccc(C(F)(F)F)cc2)=N1 ZINC000045192019 563123732 /nfs/dbraw/zinc/12/37/32/563123732.db2.gz DOCRKMOUJROONX-UHFFFAOYSA-N 0 0 430.879 5.246 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)c5cnn6cccnc56)cc4)c3)nc21 ZINC000045194577 563124306 /nfs/dbraw/zinc/12/43/06/563124306.db2.gz MBQTYDQOLXZLQL-UHFFFAOYSA-N 0 0 444.498 5.500 1 0 IKAFRN O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000045195074 563124379 /nfs/dbraw/zinc/12/43/79/563124379.db2.gz KXBVVWSZMDAQPD-UHFFFAOYSA-N 0 0 430.722 6.120 1 0 IKAFRN O=C(Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1)N[C@H]1C[C@H]1c1ccccc1 ZINC000045201686 563124844 /nfs/dbraw/zinc/12/48/44/563124844.db2.gz HERHRJPJOZMSKU-IGKIAQTJSA-N 0 0 444.538 6.575 1 0 IKAFRN Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)CCc5c[nH]cn5)c4)s3)nc21 ZINC000045202871 563125221 /nfs/dbraw/zinc/12/52/21/563125221.db2.gz NYYRUTSBIZFFDQ-UHFFFAOYSA-N 0 0 427.533 5.561 1 0 IKAFRN O=C(Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1)c1cnn2cccnc12 ZINC000045211442 563125438 /nfs/dbraw/zinc/12/54/38/563125438.db2.gz QWPHNLNTMPAUKO-UHFFFAOYSA-N 0 0 430.471 5.192 1 0 IKAFRN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000045211379 563125444 /nfs/dbraw/zinc/12/54/44/563125444.db2.gz XDIGXWINUFZJOO-UHFFFAOYSA-N 0 0 431.364 5.457 1 0 IKAFRN CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000045227440 563125504 /nfs/dbraw/zinc/12/55/04/563125504.db2.gz WTVYYYDSYOSLJO-KRWDZBQOSA-N 0 0 449.378 5.135 1 0 IKAFRN Cc1[nH]c(C)c(-c2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)c(=O)c1Br ZINC000045227244 563125552 /nfs/dbraw/zinc/12/55/52/563125552.db2.gz YVZBFPOBJYKMLQ-UHFFFAOYSA-N 0 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447.487 5.695 3 0 IKAFRN CCCCC(=O)N(C)c1c(CC)nc2c(OCc3cc(Cl)cc(Cl)c3)cccn21 ZINC000061929652 563150475 /nfs/dbraw/zinc/15/04/75/563150475.db2.gz GPZIQXGHFFBHFV-UHFFFAOYSA-N 0 0 434.367 5.936 3 0 IKAFRN CC(=O)Nc1ccc(CNc2nc(NC(C)C)nc3cc(-c4ccccc4)sc32)cc1 ZINC000061929414 563150495 /nfs/dbraw/zinc/15/04/95/563150495.db2.gz WVPYYOLNXJBNDM-UHFFFAOYSA-N 0 0 431.565 5.749 3 0 IKAFRN Cc1cc(O)ccc1-c1cc(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]n1 ZINC000061929642 563150527 /nfs/dbraw/zinc/15/05/27/563150527.db2.gz KJFSRTUHHPCTOF-UHFFFAOYSA-N 0 0 443.347 5.058 1 0 IKAFRN CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2cccc(C(F)(F)F)c2)O3)cc1 ZINC000061929876 563150567 /nfs/dbraw/zinc/15/05/67/563150567.db2.gz PXAADPAIKGOQRJ-HSZRJFAPSA-N 0 0 441.453 5.166 3 0 IKAFRN O=C(CCc1ccccc1)N1CCCC[C@@H]1c1cc(C(=O)Nc2ccccc2Cl)no1 ZINC000061930345 563150599 /nfs/dbraw/zinc/15/05/99/563150599.db2.gz KFNQWTJTWOCZLP-OAQYLSRUSA-N 0 0 437.927 5.267 3 0 IKAFRN COc1cnc(-c2cccc(C(F)(F)F)c2)c(NC(=O)c2cc3ccccc3s2)n1 ZINC000061930616 563150666 /nfs/dbraw/zinc/15/06/66/563150666.db2.gz KWTXLJQEIPQMHI-UHFFFAOYSA-N 0 0 429.423 5.638 3 0 IKAFRN COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4cnc(N)nc4)ccc3n2C)c1 ZINC000061949463 563151854 /nfs/dbraw/zinc/15/18/54/563151854.db2.gz AHTSMPWBCIMABN-UHFFFAOYSA-N 0 0 442.544 5.630 3 0 IKAFRN C[C@@]12C(=O)Nc3ccccc3C(=O)N1[C@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061959451 563151988 /nfs/dbraw/zinc/15/19/88/563151988.db2.gz JOVANGQQZBGJNZ-WVIBYCHQSA-N 0 0 444.918 5.040 3 0 IKAFRN O=C(Nc1cc(-c2ccccc2)nn1-c1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000061959477 563152011 /nfs/dbraw/zinc/15/20/11/563152011.db2.gz RDTRPRXEDXLKNC-UHFFFAOYSA-N 0 0 426.278 6.238 3 0 IKAFRN CC[C@H](C)NC(=O)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)[C@H]2c1ccc(Cl)cc1 ZINC000062213000 563152065 /nfs/dbraw/zinc/15/20/65/563152065.db2.gz WXKNIMWWXLNAHN-KKSFZXQISA-N 0 0 443.950 5.157 1 0 IKAFRN O=C(Nc1cc(F)cc(F)c1)N1CCC2(CN(C3CC3)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000062213055 563152083 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448.544 5.464 1 0 IKAFRN O=C(CCc1ccc(-c2ccccc2)cc1)N1CCC[C@H]1C(=O)c1nc2cc(F)ccc2[nH]1 ZINC000064539467 563155105 /nfs/dbraw/zinc/15/51/05/563155105.db2.gz JEXYCCXYPRCTMI-DEOSSOPVSA-N 0 0 441.506 5.176 1 0 IKAFRN Cn1c2cc(-n3ccc(-c4ccc(Cl)cc4Cl)cc3=O)ccc2c2c1CN(C)CC2 ZINC000064541161 563155319 /nfs/dbraw/zinc/15/53/19/563155319.db2.gz IAKXUOVEAACEQN-UHFFFAOYSA-N 0 0 438.358 5.291 1 0 IKAFRN C[C@H]1CCCN(COc2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(-c3ccccc3)cc2)C1 ZINC000064541190 563155459 /nfs/dbraw/zinc/15/54/59/563155459.db2.gz ARSQKVJUWAZJHL-FQEVSTJZSA-N 0 0 440.543 5.151 1 0 IKAFRN COc1c(F)c(F)cc2c(=O)c(-c3nnc(Nc4cccc(C)c4)s3)cn(C3CC3)c21 ZINC000064549444 563155675 /nfs/dbraw/zinc/15/56/75/563155675.db2.gz PEHXPVJDGYKAIT-UHFFFAOYSA-N 0 0 440.475 5.194 1 0 IKAFRN CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)c3ccccc3Cl)cc2C)n1 ZINC000064553765 563155925 /nfs/dbraw/zinc/15/59/25/563155925.db2.gz XHCUYQWWUUSZAR-UHFFFAOYSA-N 0 0 445.910 5.587 1 0 IKAFRN O=C(Nc1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000064560074 563156179 /nfs/dbraw/zinc/15/61/79/563156179.db2.gz UVPSQBIGPGQIJT-JZCIWHOWSA-N 0 0 444.501 5.698 1 0 IKAFRN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2c2nc(Cl)cc(Cl)n2)c1 ZINC000064637969 563156575 /nfs/dbraw/zinc/15/65/75/563156575.db2.gz ITNFDRQBBYAPDK-NRFANRHFSA-N 0 0 425.319 5.425 1 0 IKAFRN C[C@@H](Oc1cc(-n2cnc3ccccc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000064746576 563156744 /nfs/dbraw/zinc/15/67/44/563156744.db2.gz SQYKBXHMNBHADB-GFCCVEGCSA-N 0 0 431.439 5.345 1 0 in-vitro IKAFRN CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2I)n1 ZINC000066066186 563156980 /nfs/dbraw/zinc/15/69/80/563156980.db2.gz PYUYMBOKENEYDV-AWEZNQCLSA-N 0 0 444.316 5.377 1 0 IKAFRN CC(C)=C[C@@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 ZINC000066066572 563157195 /nfs/dbraw/zinc/15/71/95/563157195.db2.gz WAGHSYJXJAHWPX-DDQJPYJHSA-N 0 0 438.696 7.532 1 0 IKAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1c[nH]c2cccc(NCc3ccncc3)c21 ZINC000066074158 563157274 /nfs/dbraw/zinc/15/72/74/563157274.db2.gz LKUNARIKWZINJA-UHFFFAOYSA-N 0 0 426.398 5.326 1 0 IKAFRN C[S@](=O)c1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1(c2ccccc2)CC1 ZINC000066075226 563157363 /nfs/dbraw/zinc/15/73/63/563157363.db2.gz WFRQHOUKNHUVJY-WJOKGBTCSA-N 0 0 426.541 5.058 1 0 IKAFRN C[S@@](=O)c1c(-c2ccccc2)nc2ccccc2c1C(=O)NC1(c2ccccc2)CC1 ZINC000066075224 563157370 /nfs/dbraw/zinc/15/73/70/563157370.db2.gz WFRQHOUKNHUVJY-HKBQPEDESA-N 0 0 426.541 5.058 1 0 IKAFRN Clc1ccc(-n2nc3c(cnc4c3COCC4)c2OCc2ccccc2Cl)cc1 ZINC000066075965 563157459 /nfs/dbraw/zinc/15/74/59/563157459.db2.gz QWIODYKZVMUKJC-UHFFFAOYSA-N 0 0 426.303 5.379 1 0 IKAFRN COc1cc(C=C2SC(=O)NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1Cl ZINC000066076484 563157604 /nfs/dbraw/zinc/15/76/04/563157604.db2.gz USOPBKQVIILZGG-CHHVJCJISA-N 0 0 429.803 5.484 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2cccs2)c1[S@@](C)=O)c1ccccc1 ZINC000066098001 563158001 /nfs/dbraw/zinc/15/80/01/563158001.db2.gz VATQOVACVWBCQL-PBYQXAPXSA-N 0 0 434.586 5.582 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2F)c1[S@](C)=O)c1ccccc1 ZINC000066098134 563158024 /nfs/dbraw/zinc/15/80/24/563158024.db2.gz OAYRJQVIMQZHAA-GFJKYASSSA-N 0 0 446.547 5.659 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccc(F)cc2)c1[S@@](C)=O)c1ccccc1 ZINC000066097997 563158039 /nfs/dbraw/zinc/15/80/39/563158039.db2.gz IOYHGYBXRSVPKS-MNAQKMTRSA-N 0 0 446.547 5.659 1 0 IKAFRN Cc1ccccc1Cc1ccc2sc(-c3ccc(C[NH+]4CC(C(=O)[O-])C4)cc3F)nc2c1 ZINC000066098217 563158057 /nfs/dbraw/zinc/15/80/57/563158057.db2.gz NZYHKOWYAGUHOY-UHFFFAOYSA-N 0 0 446.547 5.518 1 0 IKAFRN S=c1n(CN2CCCC2)nc(-c2cccc(Cl)c2)n1-c1ccccc1Br ZINC000066099573 563158101 /nfs/dbraw/zinc/15/81/01/563158101.db2.gz NSUJFIIQVWGSDT-UHFFFAOYSA-N 0 0 449.805 5.539 1 0 IKAFRN CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c2cccc3COc2ccccc2)C1(C)C ZINC000066100661 563158200 /nfs/dbraw/zinc/15/82/00/563158200.db2.gz LEVWTKNVOKUUQN-UHFFFAOYSA-N 0 0 445.603 6.512 1 0 IKAFRN CC(=O)Nc1nc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000066101268 563158295 /nfs/dbraw/zinc/15/82/95/563158295.db2.gz QIKUYGUHSWURBV-UHFFFAOYSA-N 0 0 425.332 5.807 1 0 IKAFRN CCC(=O)Nc1nc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000066102017 563158471 /nfs/dbraw/zinc/15/84/71/563158471.db2.gz YMWHBUXMURXMMI-UHFFFAOYSA-N 0 0 439.359 6.197 1 0 IKAFRN S=c1n(CN2CCCC2)nc(-c2cccc(Cl)c2)n1-c1ccc(Br)cc1 ZINC000066104737 563158728 /nfs/dbraw/zinc/15/87/28/563158728.db2.gz CLEBRFPBJMMMLO-UHFFFAOYSA-N 0 0 449.805 5.539 1 0 IKAFRN CC[C@@]1(c2ccc(CSc3ccc(F)cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111609 563158835 /nfs/dbraw/zinc/15/88/35/563158835.db2.gz UEKVYQRCICRDNH-MHZLTWQESA-N 0 0 443.543 6.789 1 0 IKAFRN O=C(Nc1cccnc1)N1CC/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cn3)c2)C1 ZINC000066112045 563158911 /nfs/dbraw/zinc/15/89/11/563158911.db2.gz VLELXDZARQGODY-GZTJUZNOSA-N 0 0 440.425 5.609 1 0 IKAFRN CC[C@@]1(c2ccc(CSc3ccccn3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111876 563158919 /nfs/dbraw/zinc/15/89/19/563158919.db2.gz ATWMZVGCWYNJFV-SANMLTNESA-N 0 0 426.541 6.045 1 0 IKAFRN O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C4CC4)cn3)c2)CC1 ZINC000066112311 563159017 /nfs/dbraw/zinc/15/90/17/563159017.db2.gz BDNFLYREDDEFHF-UHFFFAOYSA-N 0 0 427.508 5.253 1 0 IKAFRN [NH3+][C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000066113166 563159081 /nfs/dbraw/zinc/15/90/81/563159081.db2.gz GPTBUCQREHLVEC-SANMLTNESA-N 0 0 445.628 6.171 1 0 IKAFRN Cc1[nH]c(CO)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl ZINC000066112685 563159090 /nfs/dbraw/zinc/15/90/90/563159090.db2.gz QGQFNQWZHHSZIC-UHFFFAOYSA-N 0 0 425.790 5.187 1 0 IKAFRN CCC(CC)(NC(=O)c1c(C)nn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccccc1 ZINC000066123277 563159360 /nfs/dbraw/zinc/15/93/60/563159360.db2.gz UZMJCDIUEIHUOS-JOCHJYFZSA-N 0 0 430.596 5.929 1 0 IKAFRN FC(F)(F)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1 ZINC000066129151 563159454 /nfs/dbraw/zinc/15/94/54/563159454.db2.gz MNHYKLARNCUUNN-UHFFFAOYSA-N 0 0 432.496 5.761 1 0 IKAFRN CCCC[C@@]12Cc3cc(OC)c(OC)cc3[C@@H](O1)c1c(cc(-c3ccccc3)oc1=O)O2 ZINC000066136542 563159515 /nfs/dbraw/zinc/15/95/15/563159515.db2.gz BFLVHOOXEHNJMX-RSXGOPAZSA-N 0 0 434.488 5.265 1 0 IKAFRN Brc1ccc(-c2nnc(SCc3ccccc3)n2Cc2ccco2)cc1 ZINC000066138738 563159517 /nfs/dbraw/zinc/15/95/17/563159517.db2.gz FISRUXNROCBVRX-UHFFFAOYSA-N 0 0 426.339 5.641 1 0 IKAFRN COc1cccc(NC(=O)c2c(NC(=O)/C=C/c3ccccc3)sc3c2CCCC3)c1 ZINC000066251616 563159942 /nfs/dbraw/zinc/15/99/42/563159942.db2.gz BLJDFNIFSSAYLT-CCEZHUSRSA-N 0 0 432.545 5.540 1 0 IKAFRN CC[C@@H](C)C[C@H](C(=O)NC1CCCCC1)n1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000066252159 563160093 /nfs/dbraw/zinc/16/00/93/563160093.db2.gz PBWMJJLEMRWVSM-HOYKHHGWSA-N 0 0 438.015 6.783 1 0 IKAFRN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000066252694 563160210 /nfs/dbraw/zinc/16/02/10/563160210.db2.gz RJMCYNLDMAFQAC-AREMUKBSSA-N 0 0 443.547 5.761 1 0 IKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(C)cc1 ZINC000066259224 563160524 /nfs/dbraw/zinc/16/05/24/563160524.db2.gz ZVLCUEYBFQDOMB-UHFFFAOYSA-N 0 0 432.608 5.713 1 0 IKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(OC)cc1 ZINC000066260082 563160710 /nfs/dbraw/zinc/16/07/10/563160710.db2.gz NYYRZAYJDIGPRI-UHFFFAOYSA-N 0 0 448.607 5.413 1 0 IKAFRN C[C@H]1C(=O)C[C@@H](O)[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000066263599 563160998 /nfs/dbraw/zinc/16/09/98/563160998.db2.gz BFXGCIAJMLLIBE-NYCLATEYSA-N 0 0 442.728 7.428 1 0 in-vitro IKAFRN Cc1nc2c(nc(C)nc2NC(C2CC2)C2CC2)n1-c1ccc(OC(F)F)cc1Cl ZINC000068196718 563161076 /nfs/dbraw/zinc/16/10/76/563161076.db2.gz DLFAZYMHUGUADW-UHFFFAOYSA-N 0 0 433.890 5.288 1 0 IKAFRN C[C@H]1C[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C ZINC000071295092 563161570 /nfs/dbraw/zinc/16/15/70/563161570.db2.gz ODXLMGUHUFYBLH-YTGINPHMSA-N 0 0 444.656 5.217 1 0 IKAFRN CCCN1CCc2c3cc(OCc4ccccc4)ccc3[nH]c2[C@H]1c1cccc(OC)c1 ZINC000071296144 563161678 /nfs/dbraw/zinc/16/16/78/563161678.db2.gz XLSYPKWYGXDJLB-MUUNZHRXSA-N 0 0 426.560 6.113 1 0 IKAFRN COc1ccc(NC(=O)Nc2ccc(Nc3ncnc4cc(OC)c(OC)cc43)cc2)cc1 ZINC000071316000 563161879 /nfs/dbraw/zinc/16/18/79/563161879.db2.gz XENAFWVEGOOYMA-UHFFFAOYSA-N 0 0 445.479 5.043 1 0 IKAFRN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)c2cc3ccccc3o2)cc1OC ZINC000071316455 563161967 /nfs/dbraw/zinc/16/19/67/563161967.db2.gz VKIHYUYTSGSAMI-OAQYLSRUSA-N 0 0 444.462 5.581 1 0 IKAFRN CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(Cl)c1 ZINC000071318190 563162072 /nfs/dbraw/zinc/16/20/72/563162072.db2.gz XSQMPJVMCLVIDN-UHFFFAOYSA-N 0 0 429.851 5.094 1 0 IKAFRN COc1ccc(C(C)C)cc1CN1CCC(=O)[C@@H](C(c2ccccc2)c2ccccc2)C1 ZINC000072106635 563163052 /nfs/dbraw/zinc/16/30/52/563163052.db2.gz GYEWGSQAACBKPX-SANMLTNESA-N 0 0 427.588 6.042 1 0 IKAFRN CCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072108606 563163163 /nfs/dbraw/zinc/16/31/63/563163163.db2.gz PGTZWGWGXZPIHL-HSZRJFAPSA-N 0 0 448.320 5.380 1 0 IKAFRN O=C1NC(=O)C(=Cc2ccc(OCc3ccc(F)cc3)cc2OCc2ccccc2)S1 ZINC000072109396 563163260 /nfs/dbraw/zinc/16/32/60/563163260.db2.gz LVPAAEJZWBWWJL-UUYOSTAYSA-N 0 0 435.476 5.308 1 0 IKAFRN COc1ccc2c(c1)[C@@](CCC(=O)N1[C@H](C)CC[C@@H]1C)(c1ccc(Cl)cc1)n1ccnc1-2 ZINC000072110357 563163337 /nfs/dbraw/zinc/16/33/37/563163337.db2.gz TUJSMEBQUNFBMQ-FIAZIHOUSA-N 0 0 449.982 5.497 1 0 IKAFRN CC(C)OC(=O)O[C@@H](C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000072111997 563163415 /nfs/dbraw/zinc/16/34/15/563163415.db2.gz GVRRNBZCZFHVMU-HNNXBMFYSA-N 0 0 448.899 5.179 1 0 IKAFRN CON(C)CC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1 ZINC000072114423 563163598 /nfs/dbraw/zinc/16/35/98/563163598.db2.gz AFCDGAGWESIEFP-UHFFFAOYSA-N 0 0 432.951 6.082 1 0 IKAFRN O=C1COc2ccc(-c3nn(-c4cc(Cl)cc(Cl)c4)cc3-c3ccccc3)cc2N1 ZINC000072118331 563163696 /nfs/dbraw/zinc/16/36/96/563163696.db2.gz JUIDLCOXASFEIX-UHFFFAOYSA-N 0 0 436.298 5.844 1 0 IKAFRN O=C(c1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CCOc1ccc(Cl)c(Cl)c1 ZINC000072119903 563163790 /nfs/dbraw/zinc/16/37/90/563163790.db2.gz NTLDOCBFCPCJIF-CQSZACIVSA-N 0 0 447.189 6.764 1 0 IKAFRN C[C@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000072121474 563163921 /nfs/dbraw/zinc/16/39/21/563163921.db2.gz ISHYWYJLCKNVGD-BTYIYWSLSA-N 0 0 431.916 5.192 1 0 IKAFRN Cc1ccc(Cc2c(-c3ccc(Cl)cc3)nc3cc(C)c(Br)c(C)n32)cc1 ZINC000072134938 563164123 /nfs/dbraw/zinc/16/41/23/563164123.db2.gz MLUZJSJWFXLEJV-UHFFFAOYSA-N 0 0 439.784 6.933 3 0 IKAFRN C[C@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1F ZINC000072136607 563164138 /nfs/dbraw/zinc/16/41/38/563164138.db2.gz LCUHWXWLALSVDB-QKKBWIMNSA-N 0 0 449.906 5.331 1 0 IKAFRN CCCCOC[C@H]1CN(CCCC)S(=O)(=O)c2c(Oc3ccc(C)cc3)cccc2O1 ZINC000072140970 563164508 /nfs/dbraw/zinc/16/45/08/563164508.db2.gz RGRJCQDBVMKSFM-OAQYLSRUSA-N 0 0 447.597 5.156 3 0 IKAFRN COc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1 ZINC000072142470 563164774 /nfs/dbraw/zinc/16/47/74/563164774.db2.gz VYMQWNORDFGDSY-UHFFFAOYSA-N 0 0 428.492 5.310 1 0 IKAFRN N#CN1[C@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000072171846 563164973 /nfs/dbraw/zinc/16/49/73/563164973.db2.gz HYBASOOOYSQEOZ-QUAHOIDUSA-N 0 0 428.535 6.402 1 0 IKAFRN O=c1[nH]c(=S)[nH]c(-c2ccc(-c3ccccc3)cc2)c1Cc1c(O)ccc2ccccc21 ZINC000072171889 563165005 /nfs/dbraw/zinc/16/50/05/563165005.db2.gz LWRDNXWZXDRTEE-UHFFFAOYSA-N 0 0 436.536 6.216 1 0 IKAFRN O=C1[C@H](c2ccccc2)[C@@H](c2ccc(F)cc2)N[C@@H](c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000072171866 563165022 /nfs/dbraw/zinc/16/50/22/563165022.db2.gz VLMKRUKQMWKUSC-KMKVIZFGSA-N 0 0 439.505 6.487 1 0 IKAFRN CCCCOc1cc(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1OC ZINC000072172129 563165035 /nfs/dbraw/zinc/16/50/35/563165035.db2.gz ZGQIGAPZYXHZRH-UHFFFAOYSA-N 0 0 431.533 5.039 1 0 IKAFRN CC(C)(O)Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1nccs1 ZINC000072176104 563165610 /nfs/dbraw/zinc/16/56/10/563165610.db2.gz ZFWJHRHYLANHPY-HXUWFJFHSA-N 0 0 441.984 5.149 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@H](c3ccc(F)cc3)[C@@H]1C2 ZINC000072177068 563165882 /nfs/dbraw/zinc/16/58/82/563165882.db2.gz KVNYHKNLTXXKRM-HYBUGGRVSA-N 0 0 449.457 5.147 1 0 IKAFRN Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc(O)cc3)C2)cc1C ZINC000072177369 563166026 /nfs/dbraw/zinc/16/60/26/563166026.db2.gz FJWFYMMJHWZSLX-RUZDIDTESA-N 0 0 425.557 6.488 1 0 IKAFRN Cc1ccccc1-c1ccc2nc(N)c(C[C@H](C(=O)NCC3CCCCC3)C(C)C)cc2c1 ZINC000072177452 563166039 /nfs/dbraw/zinc/16/60/39/563166039.db2.gz MUOYKKPOPPKXNF-SANMLTNESA-N 0 0 443.635 6.304 1 0 IKAFRN Clc1cc(-c2n[nH]cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(Cl)s1 ZINC000072177759 563166111 /nfs/dbraw/zinc/16/61/11/563166111.db2.gz NXDHIZJJKJRNHQ-UHFFFAOYSA-N 0 0 437.355 7.169 1 0 IKAFRN Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(F)cc3)C2)cc1C ZINC000072178659 563166303 /nfs/dbraw/zinc/16/63/03/563166303.db2.gz MHDGMURJDSJVEZ-VWLOTQADSA-N 0 0 427.548 6.922 1 0 IKAFRN Clc1ccc(-c2n[nH]cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(Cl)c1 ZINC000072179723 563166536 /nfs/dbraw/zinc/16/65/36/563166536.db2.gz YKACFDFARJWBAH-UHFFFAOYSA-N 0 0 431.326 7.108 1 0 IKAFRN CO[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c3c(c(O)c21)[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)cc(c21)O3 ZINC000072179524 563166570 /nfs/dbraw/zinc/16/65/70/563166570.db2.gz VSZGJLCADUYDAO-WNDXLXGPSA-N 0 0 426.509 5.599 1 0 IKAFRN CC(=O)c1ccccc1-c1ccc2nc(N)c(C[C@H](C)C(=O)NCCC(C)(C)C)cc2c1 ZINC000072179802 563166662 /nfs/dbraw/zinc/16/66/62/563166662.db2.gz SZARSNWHVAWQRF-KRWDZBQOSA-N 0 0 431.580 5.418 1 0 IKAFRN CC[C@H](C)[C@@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072180201 563166726 /nfs/dbraw/zinc/16/67/26/563166726.db2.gz RVZGSHOSWHWPMO-BKMJKUGQSA-N 0 0 431.624 6.441 1 0 IKAFRN CC1(c2nc(-c3ccc4ccccc4n3)no2)CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000072180265 563166834 /nfs/dbraw/zinc/16/68/34/563166834.db2.gz VFMDDFCOZLWRBT-UHFFFAOYSA-N 0 0 447.926 5.524 1 0 IKAFRN CC[C@@H](C)[C@H](NCc1ccccc1OC)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072181455 563167240 /nfs/dbraw/zinc/16/72/40/563167240.db2.gz QUYHWFCDBBRAOW-RLWLMLJZSA-N 0 0 447.623 6.141 1 0 IKAFRN CC[C@H](C)[C@H](NCc1ccccc1OC)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072181456 563167248 /nfs/dbraw/zinc/16/72/48/563167248.db2.gz QUYHWFCDBBRAOW-LVXARBLLSA-N 0 0 447.623 6.141 1 0 IKAFRN COc1c(CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc2c1OC(C)(C)C=C2 ZINC000072181360 563167256 /nfs/dbraw/zinc/16/72/56/563167256.db2.gz MLMXFJUOZPFGJR-UHFFFAOYSA-N 0 0 449.572 5.583 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@H](c3ccccc3)[C@H]1C2 ZINC000072181862 563167314 /nfs/dbraw/zinc/16/73/14/563167314.db2.gz ROIQELCFETWEND-HFZDXXHNSA-N 0 0 441.531 5.486 1 0 IKAFRN CC(C)CN(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1cccc2ccccc21 ZINC000072183310 563167583 /nfs/dbraw/zinc/16/75/83/563167583.db2.gz ZQVXDXKWSCKGBK-UHFFFAOYSA-N 0 0 435.589 5.871 1 0 IKAFRN COc1cc2c(cc1OC)[C@H](C(C)C)N(Cc1coc(-c3cccc4ccccc43)n1)CC2 ZINC000072184090 563167778 /nfs/dbraw/zinc/16/77/78/563167778.db2.gz FKLZHIRDMSNGDG-MHZLTWQESA-N 0 0 442.559 6.267 1 0 IKAFRN FC(F)(F)Oc1ccc(-c2nc(CNCc3ccccc3OC(F)(F)F)co2)cc1 ZINC000072184474 563167783 /nfs/dbraw/zinc/16/77/83/563167783.db2.gz WVDSFXATERAOHR-UHFFFAOYSA-N 0 0 432.320 5.429 1 0 IKAFRN CC[C@H](C)[C@@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000072184752 563167864 /nfs/dbraw/zinc/16/78/64/563167864.db2.gz YULZIQNVMXNVSA-SQJMNOBHSA-N 0 0 433.596 5.287 1 0 IKAFRN CC[C@@H](C)[C@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000072184749 563167899 /nfs/dbraw/zinc/16/78/99/563167899.db2.gz YULZIQNVMXNVSA-BWKNWUBXSA-N 0 0 433.596 5.287 1 0 IKAFRN Cc1ccc(CN[C@@H](c2nc(-c3ccccc3)c(N3CCCCC3)o2)c2ccccc2)cc1 ZINC000072184989 563167960 /nfs/dbraw/zinc/16/79/60/563167960.db2.gz RNZRZPOQZHBBFJ-AREMUKBSSA-N 0 0 437.587 6.520 1 0 IKAFRN FC(F)(F)Oc1ccc(CNCc2coc(-c3ccc(Br)cc3)n2)cc1 ZINC000072186590 563168306 /nfs/dbraw/zinc/16/83/06/563168306.db2.gz OAYCYJQEQYBMPH-UHFFFAOYSA-N 0 0 427.220 5.293 1 0 IKAFRN Cc1ccc(N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C(=O)c2ccccc2)cc1 ZINC000073129989 563168702 /nfs/dbraw/zinc/16/87/02/563168702.db2.gz HQLAXWUPSZVHQG-DEOSSOPVSA-N 0 0 434.539 5.811 1 0 IKAFRN O=C(c1ccccc1)N(CCc1ccccc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000073138235 563168713 /nfs/dbraw/zinc/16/87/13/563168713.db2.gz SAVNFICIQAMBBZ-RUZDIDTESA-N 0 0 448.566 5.541 1 0 IKAFRN CC(C)(C(=O)Nc1nncs1)[C@@H]1c2ccccc2Oc2nc(-c3ccc(O)cc3)ccc21 ZINC000073140034 563168891 /nfs/dbraw/zinc/16/88/91/563168891.db2.gz ZAJFFJDEVBHMIF-HXUWFJFHSA-N 0 0 444.516 5.208 1 0 IKAFRN O=C(c1ccccc1)N(Cc1ccccc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000073140747 563168971 /nfs/dbraw/zinc/16/89/71/563168971.db2.gz VFYUPGNLMSNIOO-XMMPIXPASA-N 0 0 434.539 5.498 1 0 IKAFRN CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccccc3)ccc21 ZINC000073141112 563168990 /nfs/dbraw/zinc/16/89/90/563168990.db2.gz DJPCZSGKILEQOC-FQEVSTJZSA-N 0 0 428.517 5.503 1 0 IKAFRN C[C@@H](c1ccc2sc(-c3ccc(C[NH+]4CC(C(=O)[O-])C4)cc3F)nc2c1)c1ccccn1 ZINC000073157127 563169120 /nfs/dbraw/zinc/16/91/20/563169120.db2.gz SSCWZGDBIUBKDW-HNNXBMFYSA-N 0 0 447.535 5.166 1 0 IKAFRN COc1cc(Nc2ncc([C@H](O)c3ccc(Cl)cc3)s2)ccc1-n1cnc(C)c1 ZINC000073159174 563169249 /nfs/dbraw/zinc/16/92/49/563169249.db2.gz DTFPEQAXIJBRKS-HXUWFJFHSA-N 0 0 426.929 5.125 1 0 IKAFRN CSc1cccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1 ZINC000073168127 563169680 /nfs/dbraw/zinc/16/96/80/563169680.db2.gz NZNWQGUJOLVDKY-UHFFFAOYSA-N 0 0 427.533 5.565 1 0 IKAFRN Cc1cc(C)cc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)c2ccccc2)c1 ZINC000073166813 563169698 /nfs/dbraw/zinc/16/96/98/563169698.db2.gz BDRGEUHOAAKCOI-UHFFFAOYSA-N 0 0 433.573 5.883 1 0 IKAFRN COc1ccc(Br)cc1-c1csc(Nc2ccc(-n3ccnc3)cc2)n1 ZINC000073169294 563169777 /nfs/dbraw/zinc/16/97/77/563169777.db2.gz WVWJNRQKNPFRGF-UHFFFAOYSA-N 0 0 427.327 5.511 1 0 IKAFRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]23C)C[C@]12CC[C@@H](C)CO2 ZINC000073196195 563169890 /nfs/dbraw/zinc/16/98/90/563169890.db2.gz NRBDDNWVMRLVAP-MXNFASLDSA-N 0 0 430.673 5.428 1 0 IKAFRN O=C(CCc1ccccc1)N1CCC[C@@H](COC(=O)c2ccccc2-c2ccccc2)C1 ZINC000073198791 563170076 /nfs/dbraw/zinc/17/00/76/563170076.db2.gz KEEZUZICKFFRQG-HSZRJFAPSA-N 0 0 427.544 5.382 1 0 IKAFRN O=C(c1cc2ccccc2s1)c1cc2c(ncnc2Nc2ccc(F)c(Cl)c2)s1 ZINC000073199199 563170177 /nfs/dbraw/zinc/17/01/77/563170177.db2.gz KFCRTTVBDHATAJ-UHFFFAOYSA-N 0 0 439.924 6.673 1 0 IKAFRN CCOP(=O)(OCC)[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccncc2)cc1 ZINC000073199071 563170181 /nfs/dbraw/zinc/17/01/81/563170181.db2.gz JKGJYWUUDHXARL-JOCHJYFZSA-N 0 0 448.862 6.918 1 0 IKAFRN CCCOc1ccc(C(SC(C)(C)[C@H]([NH3+])C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000073199267 563170241 /nfs/dbraw/zinc/17/02/41/563170241.db2.gz DJGNQFACCAZSGG-XMMPIXPASA-N 0 0 449.616 5.691 1 0 IKAFRN COc1ccc(-n2nc3c(c2-c2ccc(C(C)(C)C)cc2)C(=O)CC(C)(C)C3)cc1OC ZINC000073221936 563170641 /nfs/dbraw/zinc/17/06/41/563170641.db2.gz SNJYVXOJETXHLV-UHFFFAOYSA-N 0 0 432.564 6.009 1 0 IKAFRN COc1ccc2[nH]c(-c3cccs3)c(Sc3cc(OC)c(OC)c(OC)c3)c2c1 ZINC000073222435 563170681 /nfs/dbraw/zinc/17/06/81/563170681.db2.gz WUZZDOGHNMLKOL-UHFFFAOYSA-N 0 0 427.547 6.082 1 0 IKAFRN CCCOP(=O)(OCCC)[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000073222549 563170701 /nfs/dbraw/zinc/17/07/01/563170701.db2.gz BKRRZYLOYNLWDI-OAQYLSRUSA-N 0 0 439.876 5.580 1 0 IKAFRN COc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)C(=O)CC(C)(C)C3)cc1O ZINC000073240434 563171213 /nfs/dbraw/zinc/17/12/13/563171213.db2.gz KSNVLLADSNERMR-UHFFFAOYSA-N 0 0 431.319 5.715 1 0 IKAFRN Cc1nc(-c2ccc(Cl)cc2)sc1C[NH2+][C@H]1CCCN(c2cccc(C(=O)[O-])c2)C1 ZINC000073240503 563171270 /nfs/dbraw/zinc/17/12/70/563171270.db2.gz OALFXKQGIJFXHQ-IBGZPJMESA-N 0 0 441.984 5.229 1 0 IKAFRN C[C@@H]1CCCCN1C(=O)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073257745 563171390 /nfs/dbraw/zinc/17/13/90/563171390.db2.gz RAXGEMNHDSGMEN-QRWLVFNGSA-N 0 0 434.367 5.173 1 0 IKAFRN O=c1c(Oc2ccc(C(F)(F)F)cc2)c(Cl)cnn1Cc1cccc2ccccc21 ZINC000073275443 563171598 /nfs/dbraw/zinc/17/15/98/563171598.db2.gz OBTSLAKOSWLBOC-UHFFFAOYSA-N 0 0 430.813 5.909 1 0 IKAFRN Cc1cc(Oc2ccccc2)ccc1-c1nc(-c2csc(C[NH+]3CC(C(=O)[O-])C3)c2)no1 ZINC000073278293 563171725 /nfs/dbraw/zinc/17/17/25/563171725.db2.gz UFWYQCXPPYIWBY-UHFFFAOYSA-N 0 0 447.516 5.082 1 0 IKAFRN Cc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3nc(N4CCCCC4)ncc32)c1 ZINC000073294916 563171987 /nfs/dbraw/zinc/17/19/87/563171987.db2.gz SSSBRFDOPIMTMB-UHFFFAOYSA-N 0 0 444.564 5.319 1 0 IKAFRN Cc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3nc(C4CCCCC4)ccc32)c1 ZINC000073296280 563172132 /nfs/dbraw/zinc/17/21/32/563172132.db2.gz SACLMQYCCFFXNB-UHFFFAOYSA-N 0 0 442.588 6.981 1 0 IKAFRN Nc1nc2c(ccn2Cc2ccc3ccccc3c2)c(Nc2cccc(Br)c2)n1 ZINC000073296987 563172164 /nfs/dbraw/zinc/17/21/64/563172164.db2.gz PRGYTISLIUZBSA-UHFFFAOYSA-N 0 0 444.336 5.721 1 0 IKAFRN C[C@](O)(CSc1ccc(Br)cc1)c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000073310273 563172205 /nfs/dbraw/zinc/17/22/05/563172205.db2.gz ZVYUYVIPXMKQGP-KRWDZBQOSA-N 0 0 443.725 5.291 1 0 IKAFRN COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3ccc(O)cc3)ccc2c1 ZINC000073310537 563172206 /nfs/dbraw/zinc/17/22/06/563172206.db2.gz INKSYDPKAYIMBL-VWLOTQADSA-N 0 0 430.504 5.596 1 0 IKAFRN COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3cccc(C)c3)ccc2c1 ZINC000073311296 563172301 /nfs/dbraw/zinc/17/23/01/563172301.db2.gz KZLSFSAPFKSMGT-AREMUKBSSA-N 0 0 428.532 6.198 1 0 IKAFRN COc1cccc([C@H](CC(=O)CCc2ccc3cc(OC)ccc3c2)Nc2cc(C)on2)c1 ZINC000073315214 563172429 /nfs/dbraw/zinc/17/24/29/563172429.db2.gz FBEGFEZFIQFIRX-SANMLTNESA-N 0 0 444.531 5.899 1 0 IKAFRN COc1cccc([C@@H](CC(=O)CCc2ccc3cc(OC)ccc3c2)Nc2cc(C)on2)c1 ZINC000073315219 563172432 /nfs/dbraw/zinc/17/24/32/563172432.db2.gz FBEGFEZFIQFIRX-AREMUKBSSA-N 0 0 444.531 5.899 1 0 IKAFRN CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ncnc3nc(C4CC4)ccc32)cc1 ZINC000073336864 563172548 /nfs/dbraw/zinc/17/25/48/563172548.db2.gz IZZHPEKTNFMRDG-UHFFFAOYSA-N 0 0 441.560 6.064 1 0 IKAFRN COc1ccc2nc(-c3nnc(COc4ccc(-c5cc6ccccc6[nH]5)cc4)o3)ccc2c1 ZINC000082149324 563172999 /nfs/dbraw/zinc/17/29/99/563172999.db2.gz LALKREWWGZZKLG-UHFFFAOYSA-N 0 0 448.482 6.021 1 0 IKAFRN Cc1ccc(CS(=O)(=O)N[C@H]2CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1 ZINC000082149932 563173084 /nfs/dbraw/zinc/17/30/84/563173084.db2.gz SJPZQMUKIIPKCK-JMTTVTNBSA-N 0 0 439.621 5.045 1 0 IKAFRN Clc1cc2nc([C@@H]3CCCN3c3cc(NC4CCCCC4)ncn3)[nH]c2cc1Cl ZINC000082154246 563173469 /nfs/dbraw/zinc/17/34/69/563173469.db2.gz FUDKEGAHNGCRGG-SFHVURJKSA-N 0 0 431.371 5.746 1 0 IKAFRN COc1cc(/C=C2\CCCN3C2=NO[C@]3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000082155927 563173655 /nfs/dbraw/zinc/17/36/55/563173655.db2.gz ZBQSQLZJIGVCBL-ALWYCYHKSA-N 0 0 432.499 5.024 1 0 IKAFRN COc1cc(/C=C2\CCCN3C2=NO[C@@]3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000082155926 563173687 /nfs/dbraw/zinc/17/36/87/563173687.db2.gz ZBQSQLZJIGVCBL-JFJNVINNSA-N 0 0 432.499 5.024 1 0 IKAFRN COC(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc4cc(OC)ccc4c3)cc2)cc1 ZINC000082156740 563173701 /nfs/dbraw/zinc/17/37/01/563173701.db2.gz SQXJOYBFNAPUTR-UHFFFAOYSA-N 0 0 447.512 5.103 1 0 IKAFRN O=c1c2cn(-c3ccccc3)nc2n(-c2ccccc2)c(=S)n1-c1ccc(Cl)cc1 ZINC000084616054 563174352 /nfs/dbraw/zinc/17/43/52/563174352.db2.gz HNLPMSMMETYEDK-UHFFFAOYSA-N 0 0 430.920 5.350 1 0 IKAFRN Oc1ccc([C@H](O)c2nccc3c4cc(Br)ccc4[nH]c32)cc1Br ZINC000084652202 563174884 /nfs/dbraw/zinc/17/48/84/563174884.db2.gz SYELWJGGJBFZFS-SFHVURJKSA-N 0 0 448.114 5.028 1 0 IKAFRN COc1cccc2c(=O)c(C)c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)[nH]c12 ZINC000084652110 563174892 /nfs/dbraw/zinc/17/48/92/563174892.db2.gz OYIGCBQUUDDAAY-UHFFFAOYSA-N 0 0 426.394 5.473 1 0 IKAFRN Oc1ccc([C@@H](O)c2nccc3c4cc(Br)ccc4[nH]c32)cc1Br ZINC000084652203 563174898 /nfs/dbraw/zinc/17/48/98/563174898.db2.gz SYELWJGGJBFZFS-GOSISDBHSA-N 0 0 448.114 5.028 1 0 IKAFRN COc1cc([C@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Nc2ccc(O)cc2)ccc1O ZINC000084670049 563175133 /nfs/dbraw/zinc/17/51/33/563175133.db2.gz MFLGIXPGSJMZOV-HXUWFJFHSA-N 0 0 443.459 5.236 1 0 IKAFRN Clc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(Br)cc2)cc1 ZINC000084671847 563175363 /nfs/dbraw/zinc/17/53/63/563175363.db2.gz SWUBMYGOFVKITP-UHFFFAOYSA-N 0 0 438.756 6.567 1 0 IKAFRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000084671936 563175451 /nfs/dbraw/zinc/17/54/51/563175451.db2.gz XXXYUGWOUJSRGE-UHFFFAOYSA-N 0 0 434.499 5.765 1 0 IKAFRN CC1=C(CC(=O)NCCC(C)C)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000084672564 563175673 /nfs/dbraw/zinc/17/56/73/563175673.db2.gz NIGLJRGCMWRJOQ-NIPGWNMBSA-N 0 0 425.569 5.443 1 0 IKAFRN COc1cc(-c2nnc(SCc3ccc(C)cc3)o2)ccc1OCc1ccc(C)cc1 ZINC000084687916 563175922 /nfs/dbraw/zinc/17/59/22/563175922.db2.gz HDTVESUWQMPDMK-UHFFFAOYSA-N 0 0 432.545 6.233 1 0 IKAFRN CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(C)c(OC(C)C)cc3Cl)ccnc21 ZINC000084688126 563175973 /nfs/dbraw/zinc/17/59/73/563175973.db2.gz WYLUTOFQVJUPPL-HXUWFJFHSA-N 0 0 425.960 5.877 1 0 IKAFRN Cc1ccc(C(C)C)c(C(=O)NCCc2c[nH]c3ccc(OCc4ccccc4)cc23)c1 ZINC000084689022 563176072 /nfs/dbraw/zinc/17/60/72/563176072.db2.gz HEOJQNBCCBBALV-UHFFFAOYSA-N 0 0 426.560 6.151 1 0 IKAFRN COc1cc(-c2nnc(SCc3ccccc3C)o2)ccc1OCc1ccccc1C ZINC000084688925 563176108 /nfs/dbraw/zinc/17/61/08/563176108.db2.gz XDPXOACVTROBRT-UHFFFAOYSA-N 0 0 432.545 6.233 1 0 IKAFRN CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(C(=O)C(C)C)ccc2o1 ZINC000084690718 563176522 /nfs/dbraw/zinc/17/65/22/563176522.db2.gz GXWZYUDVRIKHLF-UHFFFAOYSA-N 0 0 435.553 5.182 1 0 IKAFRN COc1ccc(C2=NN(C(=O)c3ccc(Cl)nc3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000084705451 563176835 /nfs/dbraw/zinc/17/68/35/563176835.db2.gz POPIBINSVGFJBJ-FQEVSTJZSA-N 0 0 426.303 5.389 1 0 IKAFRN CN(C)C(=O)Oc1ccc2cc(C(=O)NC3CCCCCC3)ccc2c1Br ZINC000084706399 563176899 /nfs/dbraw/zinc/17/68/99/563176899.db2.gz NPULQJZGBKKQID-UHFFFAOYSA-N 0 0 433.346 5.115 1 0 IKAFRN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ncc(Br)cn2)cc1 ZINC000084706511 563176917 /nfs/dbraw/zinc/17/69/17/563176917.db2.gz WEXFUVJSKWBWIR-LJQANCHMSA-N 0 0 443.732 5.257 1 0 IKAFRN CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(C2CC2)n2c3ccccc3sc12 ZINC000084709276 563177095 /nfs/dbraw/zinc/17/70/95/563177095.db2.gz RQFALKNLPBQTSO-UHFFFAOYSA-N 0 0 443.569 5.301 1 0 IKAFRN COc1cc([C@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Nc2ccc(F)cc2)ccc1O ZINC000084709202 563177108 /nfs/dbraw/zinc/17/71/08/563177108.db2.gz LEHDNNIKPUNDDP-HXUWFJFHSA-N 0 0 445.450 5.669 1 0 IKAFRN Clc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 ZINC000084712963 563177670 /nfs/dbraw/zinc/17/76/70/563177670.db2.gz YQCVSJFLBRMUOA-UHFFFAOYSA-N 0 0 438.756 6.567 1 0 IKAFRN CC(C)(C)OC(=O)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)ccc1F ZINC000084713368 563177774 /nfs/dbraw/zinc/17/77/74/563177774.db2.gz FUMPWYSZPOXSGV-UHFFFAOYSA-N 0 0 444.488 5.318 1 0 IKAFRN COc1ccc(C2=NN(C(=O)c3ccc(C)nc3Cl)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000084714827 563177877 /nfs/dbraw/zinc/17/78/77/563177877.db2.gz DSYCLVQRXJKWET-JOCHJYFZSA-N 0 0 435.911 5.052 1 0 IKAFRN O=C1c2ccccc2C2=Nc3ccc(Br)cc3S[C@@]12c1ccc(Cl)cc1 ZINC000084714379 563177878 /nfs/dbraw/zinc/17/78/78/563177878.db2.gz URJRUHCSEKKXEC-OAQYLSRUSA-N 0 0 440.749 6.421 1 0 IKAFRN COc1ccc(C2=NN(C(=O)c3ccc(C)nc3Cl)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000084714825 563177881 /nfs/dbraw/zinc/17/78/81/563177881.db2.gz DSYCLVQRXJKWET-QFIPXVFZSA-N 0 0 435.911 5.052 1 0 IKAFRN O=C1c2ccccc2C2=Nc3ccc(Br)cc3S[C@]12c1ccc(Cl)cc1 ZINC000084714376 563177912 /nfs/dbraw/zinc/17/79/12/563177912.db2.gz URJRUHCSEKKXEC-NRFANRHFSA-N 0 0 440.749 6.421 1 0 IKAFRN COc1ccc(C2=NN(C(=O)c3cccnc3Cl)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000084728869 563178257 /nfs/dbraw/zinc/17/82/57/563178257.db2.gz AQLBVTWRSWERTD-FQEVSTJZSA-N 0 0 426.303 5.389 1 0 IKAFRN CS(=O)(=O)c1ccc2c(c1)c(Cc1ccc(Cl)cc1)cn2/C=C/CC(F)(F)F ZINC000084730077 563178410 /nfs/dbraw/zinc/17/84/10/563178410.db2.gz DURNVMPOVAXRRM-WTDSWWLTSA-N 0 0 427.875 5.712 1 0 IKAFRN CCCN(CCC)c1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 ZINC000084729034 563178413 /nfs/dbraw/zinc/17/84/13/563178413.db2.gz ZUXROILSBNUMPQ-UHFFFAOYSA-N 0 0 436.596 6.309 1 0 IKAFRN Cc1ccc([C@H]2N=C(c3ccc(Br)cc3)Oc3ccc4ccccc4c32)cc1 ZINC000084731345 563178646 /nfs/dbraw/zinc/17/86/46/563178646.db2.gz FUKHKUTUBQILHH-XMMPIXPASA-N 0 0 428.329 6.839 1 0 IKAFRN Cc1cc(C)c(-n2c(SCC(=O)Nc3cccnc3Cl)nc3cccnc32)c(C)c1 ZINC000084731957 563178652 /nfs/dbraw/zinc/17/86/52/563178652.db2.gz RSNAWJUCGSYMHL-UHFFFAOYSA-N 0 0 437.956 5.125 1 0 IKAFRN Cc1cccc(-c2nc(NCc3ccccc3Cl)sc2-c2ccc3ncnn3c2)n1 ZINC000084740795 563179074 /nfs/dbraw/zinc/17/90/74/563179074.db2.gz YTBQDRNYIQRKTK-UHFFFAOYSA-N 0 0 432.940 5.489 1 0 IKAFRN C/C(=C(/OCCCCCCOc1ccc(Cl)cc1)c1ccc(F)cc1F)n1cncn1 ZINC000084741517 563179113 /nfs/dbraw/zinc/17/91/13/563179113.db2.gz GTGSTNYBPVCVNW-QJOMJCCJSA-N 0 0 447.913 6.211 1 0 IKAFRN C/C(=C(/OCCCCCOc1ccc(Cl)cc1)c1ccc(F)cc1F)n1cncn1 ZINC000084741372 563179120 /nfs/dbraw/zinc/17/91/20/563179120.db2.gz NTYSAYQVCGFIDR-JWGURIENSA-N 0 0 433.886 5.821 1 0 IKAFRN Cc1c(=O)c2cc(F)c(F)cc2[nH]c1-c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000084757409 563179431 /nfs/dbraw/zinc/17/94/31/563179431.db2.gz IJJQETZHQWTZBK-UHFFFAOYSA-N 0 0 445.387 6.271 1 0 IKAFRN O=C(CCOc1ccc(OCc2ccccc2)cc1)c1nnc(COCc2ccccc2)o1 ZINC000088285902 563180517 /nfs/dbraw/zinc/18/05/17/563180517.db2.gz VVRHBUYYLBYSRO-UHFFFAOYSA-N 0 0 444.487 5.017 1 0 IKAFRN Cc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)o1 ZINC000095546560 563180723 /nfs/dbraw/zinc/18/07/23/563180723.db2.gz IFEUWBHCHXKRPY-VOIUYBSRSA-N 0 0 437.561 6.337 1 0 aggregator IKAFRN O=C(N[C@@](Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1)c1ccccc1 ZINC000095552016 563180757 /nfs/dbraw/zinc/18/07/57/563180757.db2.gz LOCLSNGPZFPWJE-SANMLTNESA-N 0 0 446.472 6.017 1 0 IKAFRN CC(C)(C)CC(=O)O[C@@](Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000095553727 563181097 /nfs/dbraw/zinc/18/10/97/563181097.db2.gz NOHRUKAGQHKAAG-VWLOTQADSA-N 0 0 441.493 6.566 1 0 IKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(-c2ccccc2)c1C ZINC000095555596 563181312 /nfs/dbraw/zinc/18/13/12/563181312.db2.gz BDJXVKAZYYSBAO-UHFFFAOYSA-N 0 0 432.608 5.713 1 0 IKAFRN CC[C@H](C)c1cc(-c2ccc(OCC(=O)[O-])c([C@@H](C)CC)c2)ccc1OCC[NH+](C)C ZINC000095555353 563181329 /nfs/dbraw/zinc/18/13/29/563181329.db2.gz AAKIKGCJVGKMAI-OALUTQOASA-N 0 0 427.585 5.784 1 0 IKAFRN O=C(Nc1cc(Cl)cc2c3cc(NCc4ccccc4)ncc3[nH]c21)c1ccncc1 ZINC000095555962 563181428 /nfs/dbraw/zinc/18/14/28/563181428.db2.gz VPOPHWMKZFFFTH-UHFFFAOYSA-N 0 0 427.895 5.629 1 0 IKAFRN O=C(Nc1cc(Cl)cc2c3cc(NCc4ccccc4)ncc3[nH]c21)c1cccnc1 ZINC000095556881 563181621 /nfs/dbraw/zinc/18/16/21/563181621.db2.gz RVFUQMHVLLROKU-UHFFFAOYSA-N 0 0 427.895 5.629 1 0 IKAFRN CCCCCOC(=O)NCc1nc(-c2ccc3ncsc3c2)c(-c2nc(C)cs2)[nH]1 ZINC000095558962 563181846 /nfs/dbraw/zinc/18/18/46/563181846.db2.gz SUPTULKVUVUEHA-UHFFFAOYSA-N 0 0 441.582 5.535 1 0 IKAFRN O=C(CSc1nncnc1-c1ccccc1Cl)Nc1ccc(Cl)cc1Cl ZINC000095560937 563182333 /nfs/dbraw/zinc/18/23/33/563182333.db2.gz IZTJTZIERZMCGV-UHFFFAOYSA-N 0 0 425.728 5.230 1 0 IKAFRN CCCCCn1c(C)c(C(=O)c2cccc3cccc(Br)c32)c2ccccc21 ZINC000095560509 563182288 /nfs/dbraw/zinc/18/22/88/563182288.db2.gz JPGHESNKHAZUNP-UHFFFAOYSA-N 0 0 434.377 7.287 1 0 IKAFRN COc1ccc(NC(=O)N[C@@H](C)c2cccc(Br)c2)cc1OCCCC(C)C ZINC000095563773 563182985 /nfs/dbraw/zinc/18/29/85/563182985.db2.gz VRNLUFLMGIQYNU-INIZCTEOSA-N 0 0 449.389 6.155 1 0 IKAFRN COc1ccc(NC(=O)N(CCCO)[C@@H](C)c2ccccc2)cc1OCCCC(C)C ZINC000095564165 563183093 /nfs/dbraw/zinc/18/30/93/563183093.db2.gz UXGARXQTRXACPC-FQEVSTJZSA-N 0 0 428.573 5.488 1 0 IKAFRN COc1ccccc1-c1ncn(Cc2cccc(-c3ccccc3)c2)c1-c1cc(C)cc(C)c1 ZINC000095565638 563183315 /nfs/dbraw/zinc/18/33/15/563183315.db2.gz UUMKHZASTZIZHZ-UHFFFAOYSA-N 0 0 444.578 7.558 3 0 IKAFRN CCCc1c(-c2cccc(Br)c2)ncn1Cc1cccc(-c2ccccc2)c1 ZINC000095566130 563183413 /nfs/dbraw/zinc/18/34/13/563183413.db2.gz LULXICAKOQANKI-UHFFFAOYSA-N 0 0 431.377 6.980 3 0 IKAFRN O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3ccc(Cl)cc3)cnc2C1 ZINC000095565835 563183421 /nfs/dbraw/zinc/18/34/21/563183421.db2.gz XYERSWFWZBCKKL-UHFFFAOYSA-N 0 0 440.252 5.532 1 0 IKAFRN CC(C)(C)NC(=O)[C@H](CCc1ccccc1)n1c2ccccc2nc(-c2ccccc2)c1=O ZINC000095566389 563183500 /nfs/dbraw/zinc/18/35/00/563183500.db2.gz LGXHADYIDLQVFC-DEOSSOPVSA-N 0 0 439.559 5.152 3 0 IKAFRN CC(C)(C)[C@H](c1nc2ccccc2[nH]1)n1c2ccccc2nc1-c1cc(Cl)cc(Cl)c1 ZINC000095567076 563183666 /nfs/dbraw/zinc/18/36/66/563183666.db2.gz SZHTZCGOTFUODV-QFIPXVFZSA-N 0 0 449.385 7.522 3 0 IKAFRN Cc1cc2nc(-c3cccc(Cl)c3)c(Cc3ccsc3)n2c(C)c1Br ZINC000095567273 563183739 /nfs/dbraw/zinc/18/37/39/563183739.db2.gz MXMFYVHBMOFUJG-UHFFFAOYSA-N 0 0 431.786 6.686 3 0 IKAFRN O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(Cl)c(Cl)c1)O[C@@H](CCc1ccccc1)C2 ZINC000095567256 563183764 /nfs/dbraw/zinc/18/37/64/563183764.db2.gz AUMXPKIZKRMKRC-IFXJQAMLSA-N 0 0 433.360 5.403 3 0 IKAFRN CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(Cc1ccccc1)C(=O)c1cc(F)c(F)cc12 ZINC000095568855 563183937 /nfs/dbraw/zinc/18/39/37/563183937.db2.gz CBYZWQWUKDOWJY-SQHAQQRYSA-N 0 0 447.481 5.028 3 0 IKAFRN O=c1c(-c2ccco2)nc2ccccc2n1[C@@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000095569479 563184079 /nfs/dbraw/zinc/18/40/79/563184079.db2.gz QJUVNEIKCHYRNS-DEOSSOPVSA-N 0 0 446.510 5.755 3 0 IKAFRN Cc1cc2nc(-c3ccc(F)cc3)c(Cc3cccc(Cl)c3)n2c(C)c1Br ZINC000095569559 563184176 /nfs/dbraw/zinc/18/41/76/563184176.db2.gz MFTNOFWDHLVBJM-UHFFFAOYSA-N 0 0 443.747 6.764 3 0 IKAFRN Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O ZINC000095570214 563184311 /nfs/dbraw/zinc/18/43/11/563184311.db2.gz WQALCQQGKRVCJP-AREMUKBSSA-N 0 0 449.510 5.501 3 0 IKAFRN Cc1ccc(SC[C@H](C)CN2CC[C@@H](NC(=O)OCc3ccccc3)CCC2=O)cc1 ZINC000095571022 563184406 /nfs/dbraw/zinc/18/44/06/563184406.db2.gz PELBSJQVJJZTKP-IRLDBZIGSA-N 0 0 440.609 5.031 3 0 IKAFRN O=C1CC[C@@H](OCc2ccccc2)CCN1CC[C@@H](Sc1ccccc1)c1ccccc1 ZINC000095571259 563184419 /nfs/dbraw/zinc/18/44/19/563184419.db2.gz BCOBBTQPNTZLPA-XNMGPUDCSA-N 0 0 445.628 6.508 3 0 IKAFRN Cc1ccc(Cc2c(-c3cccc(Cl)c3)nc3cc(C)c(Br)c(C)n32)cc1 ZINC000095571267 563184511 /nfs/dbraw/zinc/18/45/11/563184511.db2.gz USOUOGHAMRDQBF-UHFFFAOYSA-N 0 0 439.784 6.933 3 0 IKAFRN CCCCC[C@@H]1C=C(C(=O)OCC)[C@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000095571493 563184522 /nfs/dbraw/zinc/18/45/22/563184522.db2.gz XMEDMZJUCUKGEH-QPPBQGQZSA-N 0 0 441.593 5.179 3 0 IKAFRN CCCCc1cn(C[C@H](OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1 ZINC000095573773 563185169 /nfs/dbraw/zinc/18/51/69/563185169.db2.gz JQKLNAWGKTVRDN-NRFANRHFSA-N 0 0 438.786 6.539 1 0 IKAFRN Cc1c(C)c2c(c(C)c1N)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000095574790 563185419 /nfs/dbraw/zinc/18/54/19/563185419.db2.gz VHDHAAWAAIWBBG-IEOSBIPESA-N 0 0 429.733 8.717 1 0 IKAFRN COc1cc(Nc2cccn3cc(Cc4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1 ZINC000095574614 563185471 /nfs/dbraw/zinc/18/54/71/563185471.db2.gz DTDGCUJDBGTFHK-UHFFFAOYSA-N 0 0 427.483 5.311 1 0 IKAFRN CCc1cc(CC)nc(OCCCn2c3ccc(-c4nnc(C)o4)cc3c3c2CCCC3)n1 ZINC000095575032 563185521 /nfs/dbraw/zinc/18/55/21/563185521.db2.gz FZYUMMWJLIGVGS-UHFFFAOYSA-N 0 0 445.567 5.262 1 0 IKAFRN CCOC(=O)[C@H](CC)N1C(=O)CC[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000095575179 563185531 /nfs/dbraw/zinc/18/55/31/563185531.db2.gz QLMRAJFICQBJAE-RZUBCFFCSA-N 0 0 434.363 5.782 1 0 IKAFRN COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)ccc1-n1cnc(C)c1 ZINC000095576050 563185823 /nfs/dbraw/zinc/18/58/23/563185823.db2.gz CBZHFCPGQAUEJE-UHFFFAOYSA-N 0 0 427.483 5.626 1 0 IKAFRN COc1ccc(SC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095576144 563185857 /nfs/dbraw/zinc/18/58/57/563185857.db2.gz AVMVPIBHAONRHV-UHFFFAOYSA-N 0 0 434.630 5.479 1 0 IKAFRN COc1ccc(C2=NN(C(=O)c3cc(OC)ccc3O)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095576181 563185921 /nfs/dbraw/zinc/18/59/21/563185921.db2.gz CYYYANQLHNMXLF-JOCHJYFZSA-N 0 0 436.895 5.054 1 0 IKAFRN CC(C)(C)c1cccc(NC(=O)c2cccc(Nc3ccc4c(c3)CCCCC4=O)c2)c1 ZINC000095576868 563186152 /nfs/dbraw/zinc/18/61/52/563186152.db2.gz OXKKINUJTYUYIR-UHFFFAOYSA-N 0 0 426.560 6.889 1 0 IKAFRN Cc1cccc(C(=O)Nc2cccc(Nc3ccc4c(c3)CCc3ccccc3C4=O)c2)c1 ZINC000095577053 563186179 /nfs/dbraw/zinc/18/61/79/563186179.db2.gz QXFWEJNNZUUEDJ-UHFFFAOYSA-N 0 0 432.523 6.321 1 0 IKAFRN Clc1ccc(CO[C@@H](Cn2nnc3ccccc32)c2ccc(Cl)cc2Cl)cc1 ZINC000095577807 563186496 /nfs/dbraw/zinc/18/64/96/563186496.db2.gz PJNNRQXEOBDWDY-NRFANRHFSA-N 0 0 432.738 6.350 1 0 IKAFRN Cc1ccc(Nc2ccc3c(c2)OCc2ccccc2C3=O)cc1NC(=O)c1ccsc1 ZINC000095578178 563186597 /nfs/dbraw/zinc/18/65/97/563186597.db2.gz ZQYQFLHMRJMBSD-UHFFFAOYSA-N 0 0 440.524 6.176 1 0 IKAFRN Cc1noc(-c2ccc3c(c2)c2c(n3CCCc3nc4cc(F)ccc4[nH]3)CCCC2)n1 ZINC000095578801 563186789 /nfs/dbraw/zinc/18/67/89/563186789.db2.gz JMLCWQHQLCPWBU-UHFFFAOYSA-N 0 0 429.499 5.527 1 0 IKAFRN Cc1noc(-c2ccc3c(c2)c2c(n3CCCSc3cc(F)cc(F)c3)CCCC2)n1 ZINC000095578575 563186799 /nfs/dbraw/zinc/18/67/99/563186799.db2.gz GZGZYDZBSNEDTO-UHFFFAOYSA-N 0 0 439.531 6.339 1 0 IKAFRN Cc1ccccc1[C@H](C(=O)NC1CCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095578710 563186801 /nfs/dbraw/zinc/18/68/01/563186801.db2.gz KOJQFPSPRBLOAU-XMMPIXPASA-N 0 0 436.552 5.181 1 0 IKAFRN CCN(CC)c1ccc(Cl)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 ZINC000095578981 563186863 /nfs/dbraw/zinc/18/68/63/563186863.db2.gz KNQTZIXQAVZZSA-UHFFFAOYSA-N 0 0 428.960 5.873 1 0 IKAFRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000095579084 563186882 /nfs/dbraw/zinc/18/68/82/563186882.db2.gz SNOXZWTVZITNDR-HSZRJFAPSA-N 0 0 426.988 5.199 1 0 IKAFRN Cc1ccc(NC(=O)Oc2ccc3c(c2)CCCN3Cc2ccc(Cl)cc2Cl)cc1 ZINC000095579005 563186886 /nfs/dbraw/zinc/18/68/86/563186886.db2.gz VNMWRNOMDJQUNZ-UHFFFAOYSA-N 0 0 441.358 6.866 1 0 IKAFRN Cc1cc(-c2ccc(CNC(=O)CCCc3ccc4cccnc4n3)cc2)ccc1Cl ZINC000095579475 563186929 /nfs/dbraw/zinc/18/69/29/563186929.db2.gz OPMDDTWHVKMKPQ-UHFFFAOYSA-N 0 0 429.951 5.898 1 0 IKAFRN Cc1ccc(S(=O)(=O)Nc2cnc(Oc3cnc4ccccc4c3)c(Cl)c2)c(C)c1 ZINC000095579410 563186947 /nfs/dbraw/zinc/18/69/47/563186947.db2.gz TZCBFXOXHLVALA-UHFFFAOYSA-N 0 0 439.924 5.493 1 0 IKAFRN COC(=O)c1cccc(NC(=O)/C=C/Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2C)c1 ZINC000095579173 563186981 /nfs/dbraw/zinc/18/69/81/563186981.db2.gz GDHLUOJDHXETMM-CMDGGOBGSA-N 0 0 445.559 5.781 1 0 IKAFRN O=C(Cc1ccccc1)Nc1cccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)c1 ZINC000095579206 563187008 /nfs/dbraw/zinc/18/70/08/563187008.db2.gz AIUWZSIDJGJGRQ-UHFFFAOYSA-N 0 0 432.523 5.941 1 0 IKAFRN CCN(CC)c1ccc(C(F)F)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 ZINC000095579557 563187071 /nfs/dbraw/zinc/18/70/71/563187071.db2.gz VYTSMECWAVKJFB-UHFFFAOYSA-N 0 0 444.522 6.158 1 0 IKAFRN COc1cc(/C=C2\CCCN3C2=NOC[C@]3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000095579873 563187201 /nfs/dbraw/zinc/18/72/01/563187201.db2.gz GKXRXBPNFZXEEM-MMINWYLUSA-N 0 0 446.526 5.067 1 0 IKAFRN CC(=O)Nc1nc(-c2ccccc2Cl)c(-c2cc3c(s2)-c2ncccc2OCC3)[nH]1 ZINC000095581070 563187473 /nfs/dbraw/zinc/18/74/73/563187473.db2.gz RQIONNMMALFGKD-UHFFFAOYSA-N 0 0 436.924 5.414 1 0 IKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(-c2ccc3[nH]ccc3c2)s1 ZINC000095582868 563188049 /nfs/dbraw/zinc/18/80/49/563188049.db2.gz UIFXKJMLFGJERK-AREMUKBSSA-N 0 0 435.552 6.692 1 0 IKAFRN O=C(NCc1ccco1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl ZINC000095583656 563188297 /nfs/dbraw/zinc/18/82/97/563188297.db2.gz VDXSIOSVWWVMTO-UHFFFAOYSA-N 0 0 445.224 6.719 1 0 IKAFRN CC(=O)c1ccc(-c2ccc([C@H]3N(C)c4ccccc4C(=O)N3c3ccccc3)s2)cc1 ZINC000095583713 563188408 /nfs/dbraw/zinc/18/84/08/563188408.db2.gz WKDXTEHCWKYCJF-SANMLTNESA-N 0 0 438.552 6.413 1 0 IKAFRN COc1cc(O)c([C@H](CC(=O)N2C[C@H](C)C[C@H](C)C2)c2ccc(Cl)cc2)c(OC)c1 ZINC000095583906 563188499 /nfs/dbraw/zinc/18/84/99/563188499.db2.gz AZKNYICRIQZMSF-GQIGUUNPSA-N 0 0 431.960 5.089 1 0 IKAFRN COc1cc(O)c([C@@H](CC(=O)N2C[C@H](C)C[C@H](C)C2)c2ccc(Cl)cc2)c(OC)c1 ZINC000095583905 563188509 /nfs/dbraw/zinc/18/85/09/563188509.db2.gz AZKNYICRIQZMSF-YRNRMSPPSA-N 0 0 431.960 5.089 1 0 IKAFRN CCCCCOCCCCCCCCCc1cc2cn([C@@H]3CC[C@H](CO)O3)c(=O)nc2o1 ZINC000095584127 563188532 /nfs/dbraw/zinc/18/85/32/563188532.db2.gz NLLZONVOBYGIQR-PKTZIBPZSA-N 0 0 448.604 5.139 1 0 IKAFRN C[C@@H]1CCCN(C(=O)C[C@H](c2ccc3c(c2)OCO3)c2cc(-c3ccccc3)ccc2O)C1 ZINC000095584618 563188611 /nfs/dbraw/zinc/18/86/11/563188611.db2.gz DRTVUSCCYGCTRX-AUSIDOKSSA-N 0 0 443.543 5.568 1 0 IKAFRN C[C@H]1CCCN(C(=O)C[C@@H](c2ccc3c(c2)OCO3)c2cc(-c3ccccc3)ccc2O)C1 ZINC000095584617 563188630 /nfs/dbraw/zinc/18/86/30/563188630.db2.gz DRTVUSCCYGCTRX-CVDCTZTESA-N 0 0 443.543 5.568 1 0 IKAFRN Clc1ccc(Oc2ccc3c(c2)[C@H]2OCCC[C@H]2[C@@H](C2CCCCC2)N3)cc1Cl ZINC000095585924 563189055 /nfs/dbraw/zinc/18/90/55/563189055.db2.gz RVVBFSLHYPTUOP-GLYQVZKVSA-N 0 0 432.391 7.628 1 0 IKAFRN C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(C(F)F)n1 ZINC000095586192 563189180 /nfs/dbraw/zinc/18/91/80/563189180.db2.gz LKDNBDVNZXUBSU-BXUZGUMPSA-N 0 0 439.491 5.291 1 0 IKAFRN Cc1nn(C)c(Oc2cccc(Cl)c2F)c1C(=O)N1CCCC[C@H]1c1cccnc1 ZINC000095587087 563189386 /nfs/dbraw/zinc/18/93/86/563189386.db2.gz FOEJMROPHNSOJI-KRWDZBQOSA-N 0 0 428.895 5.076 1 0 IKAFRN Clc1ccc(-c2nc3ccccc3n2-c2ccnc(NC3CCOCC3)n2)cc1Cl ZINC000095589249 563189533 /nfs/dbraw/zinc/18/95/33/563189533.db2.gz NUBHHICZZNJVSS-UHFFFAOYSA-N 0 0 440.334 5.380 1 0 IKAFRN Oc1ccc2nc(-c3ccc4ccccc4c3)n(-c3ccnc(NC4CCCCC4)n3)c2c1 ZINC000095589230 563189563 /nfs/dbraw/zinc/18/95/63/563189563.db2.gz NDZUGGRYLOMQOG-UHFFFAOYSA-N 0 0 435.531 6.086 1 0 IKAFRN CNc1ncnc(N)c1N(C=O)C/C=C(\C)CC/C=C(\C)CC[C@@]1(C)C(C)=CCC[C@@H]1C ZINC000095589573 563189691 /nfs/dbraw/zinc/18/96/91/563189691.db2.gz NFOOQBRCQVDNGM-BEHXQNNVSA-N 0 0 439.648 5.899 1 0 IKAFRN O=C(Nc1ccc(Oc2ncnc3n[nH]cc32)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000095589656 563189736 /nfs/dbraw/zinc/18/97/36/563189736.db2.gz NZCHGHMPHKCWLR-UHFFFAOYSA-N 0 0 448.792 5.461 1 0 IKAFRN O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1ccc(SC(F)(F)F)c(Cl)c1 ZINC000095589963 563189808 /nfs/dbraw/zinc/18/98/08/563189808.db2.gz BMXPKAHMDCFJRG-UHFFFAOYSA-N 0 0 446.825 7.208 1 0 IKAFRN Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC[C@@H]1c1ccccn1 ZINC000095590182 563189809 /nfs/dbraw/zinc/18/98/09/563189809.db2.gz DLOKLLBFOFNGSM-QGZVFWFLSA-N 0 0 445.350 5.590 1 0 IKAFRN Cc1nn(C)c(Oc2ccc(Cl)cc2Cl)c1C(=O)N1CCCC[C@H]1c1cccnc1 ZINC000095591098 563190217 /nfs/dbraw/zinc/19/02/17/563190217.db2.gz CIOWDFAFTWBSLR-SFHVURJKSA-N 0 0 445.350 5.590 1 0 IKAFRN C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(C2CCC2)n1 ZINC000095591404 563190298 /nfs/dbraw/zinc/19/02/98/563190298.db2.gz MHCSEEMETVIDGF-RDTXWAMCSA-N 0 0 443.576 5.621 1 0 IKAFRN COc1ccc(-c2cc(/C=C/[C@@H]3C(C)=CCCC3(C)C)nn2-c2ccccc2)cc1OC ZINC000095592596 563190567 /nfs/dbraw/zinc/19/05/67/563190567.db2.gz VAIWKHMHIDTVTR-DKUDOZJNSA-N 0 0 428.576 6.952 1 0 IKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)c(C)sc21 ZINC000095594391 563191014 /nfs/dbraw/zinc/19/10/14/563191014.db2.gz AFIXFFULGZXNJF-UHFFFAOYSA-N 0 0 426.626 5.569 1 0 IKAFRN c1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 ZINC000095595284 563191292 /nfs/dbraw/zinc/19/12/92/563191292.db2.gz GSNDNCSKSYEXGK-UHFFFAOYSA-N 0 0 428.561 5.943 1 0 IKAFRN CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1cccs1)c1ccc(C(C)(C)C)cc1 ZINC000095596692 563191610 /nfs/dbraw/zinc/19/16/10/563191610.db2.gz RYEZRLQEBRCAQY-QFIPXVFZSA-N 0 0 449.620 5.743 3 0 IKAFRN CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccncc1)c1ccc(C(C)(C)C)cc1 ZINC000095596765 563191619 /nfs/dbraw/zinc/19/16/19/563191619.db2.gz VWZQHFKHVJOHQH-QHCPKHFHSA-N 0 0 444.579 5.077 1 0 IKAFRN Cc1nccc2c3ccc(OCCCc4ccccc4)cc3n(CCCc3ccccc3)c21 ZINC000095596971 563191677 /nfs/dbraw/zinc/19/16/77/563191677.db2.gz RSKBTIRFCXOTGU-UHFFFAOYSA-N 0 0 434.583 7.142 1 0 IKAFRN CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095596885 563191683 /nfs/dbraw/zinc/19/16/83/563191683.db2.gz PUZODRXERPKEFT-QFIPXVFZSA-N 0 0 433.552 5.275 1 0 IKAFRN CCOc1ccc(-c2nnc([C@H](Cc3ccccc3)n3sc4ccccc4c3=O)o2)cc1 ZINC000095597071 563191812 /nfs/dbraw/zinc/19/18/12/563191812.db2.gz GWLYSONRQIRTDP-NRFANRHFSA-N 0 0 443.528 5.344 1 0 IKAFRN c1ccc2c(c1)c1ccncc1n2CCCCCCCCn1c2ccccc2c2ccncc21 ZINC000095597079 563191815 /nfs/dbraw/zinc/19/18/15/563191815.db2.gz JXKSQUSYURJBFR-UHFFFAOYSA-N 0 0 446.598 7.733 1 0 IKAFRN COc1cc(/C=C2\CCCN3CC[C@H](c4ccccc4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095597699 563191971 /nfs/dbraw/zinc/19/19/71/563191971.db2.gz DQOYEQSNDJFFKT-WLGHQHAYSA-N 0 0 428.536 5.144 1 0 IKAFRN COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2-c2ccc3ccccc3c2)cc1 ZINC000095597629 563191995 /nfs/dbraw/zinc/19/19/95/563191995.db2.gz IBVKMLYACJCRTO-FMIVXFBMSA-N 0 0 426.512 6.712 1 0 IKAFRN Cc1ccc(N2CCN([C@H](CCc3ccccc3)C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000095598823 563192241 /nfs/dbraw/zinc/19/22/41/563192241.db2.gz ACCXHLAPXDCMEO-HHHXNRCGSA-N 0 0 441.619 5.374 3 0 IKAFRN COc1ccc([C@@H](C(=O)Nc2c(C)cccc2C)N2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000095598987 563192337 /nfs/dbraw/zinc/19/23/37/563192337.db2.gz ZZIVHQFJOFEFFT-MHZLTWQESA-N 0 0 443.591 5.122 3 0 IKAFRN CCCCNC(=O)c1nc(-c2cc3ccccc3[nH]2)oc1-c1cccc(C(F)(F)F)c1 ZINC000095599025 563192379 /nfs/dbraw/zinc/19/23/79/563192379.db2.gz SYECLIDHNJBKGD-UHFFFAOYSA-N 0 0 427.426 6.039 3 0 IKAFRN Cc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(-c3ccco3)nc12 ZINC000095599144 563192380 /nfs/dbraw/zinc/19/23/80/563192380.db2.gz QENXVFYAEWCIPM-UHFFFAOYSA-N 0 0 435.243 6.275 3 0 IKAFRN Cc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2cccc(Cl)c2)cc1 ZINC000095599777 563192483 /nfs/dbraw/zinc/19/24/83/563192483.db2.gz SVNOERSFJRGNLO-UHFFFAOYSA-N 0 0 435.276 7.226 3 0 IKAFRN CSCC[C@H](c1nc2ccccc2[nH]1)n1c2ccccc2nc1-c1ccc2ncccc2c1 ZINC000095599663 563192515 /nfs/dbraw/zinc/19/25/15/563192515.db2.gz GKNRRUGPQFNDKA-RUZDIDTESA-N 0 0 449.583 6.470 3 0 IKAFRN COc1ccc([C@H](C(=O)NCc2ccccc2)n2c3ccccc3nc2-c2ccncc2)cc1 ZINC000095600417 563192563 /nfs/dbraw/zinc/19/25/63/563192563.db2.gz QPEGRVGZJSHGAP-AREMUKBSSA-N 0 0 448.526 5.013 3 0 IKAFRN COC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3cccc(F)c3)n2c1 ZINC000095600889 563192629 /nfs/dbraw/zinc/19/26/29/563192629.db2.gz ODTPEQRDHQCVBQ-UHFFFAOYSA-N 0 0 439.284 5.280 3 0 IKAFRN O=C([C@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccccn1 ZINC000095602108 563193047 /nfs/dbraw/zinc/19/30/47/563193047.db2.gz IGOIUKBPLOVGEE-FCHUYYIVSA-N 0 0 443.444 5.756 1 0 IKAFRN O=C([C@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccncc1 ZINC000095602162 563193108 /nfs/dbraw/zinc/19/31/08/563193108.db2.gz RCJJCOWBDGKVAY-FGZHOGPDSA-N 0 0 443.444 5.756 1 0 IKAFRN O=C([C@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccncc1 ZINC000095602164 563193127 /nfs/dbraw/zinc/19/31/27/563193127.db2.gz RCJJCOWBDGKVAY-FCHUYYIVSA-N 0 0 443.444 5.756 1 0 IKAFRN C[C@@H](Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2oc(-c3cncs3)nc2c1 ZINC000095602922 563193276 /nfs/dbraw/zinc/19/32/76/563193276.db2.gz MCPYCPHYSXCNFM-CYBMUJFWSA-N 0 0 449.919 6.164 1 0 IKAFRN Cc1cccc2c1cnn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000095603204 563193381 /nfs/dbraw/zinc/19/33/81/563193381.db2.gz ZTPBCWMMOOVAIY-UHFFFAOYSA-N 0 0 444.844 6.650 1 0 IKAFRN O=C([C@H](Nc1ccccc1F)c1cc2ccccc2s1)N1CCC[C@H]1c1ccccn1 ZINC000095603254 563193386 /nfs/dbraw/zinc/19/33/86/563193386.db2.gz BSONHOQFIYHFJW-XUZZJYLKSA-N 0 0 431.536 5.952 1 0 IKAFRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2nc(-c3cncs3)oc2c1 ZINC000095603557 563193480 /nfs/dbraw/zinc/19/34/80/563193480.db2.gz KFILXSQZALIXAT-JTQLQIEISA-N 0 0 434.304 5.664 1 0 IKAFRN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(-c2ccccc2)cc1 ZINC000095604421 563193736 /nfs/dbraw/zinc/19/37/36/563193736.db2.gz LVYAYVMHXMYTLA-UHFFFAOYSA-N 0 0 427.504 5.220 1 0 IKAFRN O=c1ccc(-c2nc3ccccc3n2[C@H](CCc2ccccc2)c2nc3ccccc3[nH]2)c[nH]1 ZINC000095604803 563193808 /nfs/dbraw/zinc/19/38/08/563193808.db2.gz FAPPBZWRZRWLDM-RUZDIDTESA-N 0 0 445.526 5.490 1 0 IKAFRN O=C(Nc1ccc(-n2ncc3cnccc32)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000095604733 563193823 /nfs/dbraw/zinc/19/38/23/563193823.db2.gz QMTIEDMDFNOLNF-UHFFFAOYSA-N 0 0 431.805 5.737 1 0 IKAFRN Cc1ccc(C2=C[C@H](c3c4cc(C)ccc4[nH]c3-c3ccccc3)c3c(N)[nH]nc3O2)cc1 ZINC000095605022 563193871 /nfs/dbraw/zinc/19/38/71/563193871.db2.gz WDMGFHYPIJLDKQ-OAQYLSRUSA-N 0 0 432.527 6.322 1 0 IKAFRN Cc1ccc(N2CCN([C@H](C(=O)Nc3c(C)cccc3C)c3cccc(F)c3)CC2)cc1 ZINC000095605370 563193955 /nfs/dbraw/zinc/19/39/55/563193955.db2.gz SXJVHIKQPXQUQC-SANMLTNESA-N 0 0 431.555 5.253 3 0 IKAFRN Cc1ccc(N2CCN([C@@H](C(=O)Nc3c(C)cccc3C)c3cccc(F)c3)CC2)cc1 ZINC000095605371 563193982 /nfs/dbraw/zinc/19/39/82/563193982.db2.gz SXJVHIKQPXQUQC-AREMUKBSSA-N 0 0 431.555 5.253 3 0 IKAFRN CC1(C)OC(=O)N(c2ccc(-c3cnc(N)c(-c4ncccn4)c3)cc2)[C@H]1c1ccccc1 ZINC000095921039 563195060 /nfs/dbraw/zinc/19/50/60/563195060.db2.gz BGDLETKJFQIBLX-QFIPXVFZSA-N 0 0 437.503 5.264 1 0 in-vitro IKAFRN Cc1nc2cc(Oc3ccc(-c4nc(C5CCC5)n5ccnc(N)c45)cc3)ccc2s1 ZINC000096168231 563195195 /nfs/dbraw/zinc/19/51/95/563195195.db2.gz BAFWSNSFTKAINX-UHFFFAOYSA-N 0 0 427.533 5.956 1 0 IKAFRN Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4cccc(-c5ccccc5)c4)cc3)c12 ZINC000096168230 563195225 /nfs/dbraw/zinc/19/52/25/563195225.db2.gz OZNIPNOUKHBEBT-UHFFFAOYSA-N 0 0 432.527 6.705 1 0 IKAFRN c1cc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)sc1-c1ccccc1 ZINC000096168832 563195399 /nfs/dbraw/zinc/19/53/99/563195399.db2.gz UEUOBWVCFCRCMA-UHFFFAOYSA-N 0 0 436.540 5.688 1 0 IKAFRN O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc2scnc2c1 ZINC000096170132 563195509 /nfs/dbraw/zinc/19/55/09/563195509.db2.gz 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CC(C)(C)OC(=O)NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096174148 563196078 /nfs/dbraw/zinc/19/60/78/563196078.db2.gz AXXASHNBTQXLGP-UHFFFAOYSA-N 0 0 440.507 5.078 1 0 IKAFRN Cc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096177129 563196363 /nfs/dbraw/zinc/19/63/63/563196363.db2.gz ZVPBSAWVQXYSJT-JOCHJYFZSA-N 0 0 428.561 5.889 1 0 IKAFRN COc1ccccc1[C@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)c(N)c1 ZINC000096177247 563196421 /nfs/dbraw/zinc/19/64/21/563196421.db2.gz VWFDSJHVQDPLLO-DEOSSOPVSA-N 0 0 444.560 5.602 1 0 IKAFRN COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cn1 ZINC000096177255 563196436 /nfs/dbraw/zinc/19/64/36/563196436.db2.gz ZIPVULUFMGAYPE-QFIPXVFZSA-N 0 0 444.560 5.589 1 0 IKAFRN CN(Cc1ccc2ccccc2c1)C(=O)n1nnnc1Cc1ccc(-c2ccccc2)cc1 ZINC000096258191 563196512 /nfs/dbraw/zinc/19/65/12/563196512.db2.gz MPIUVHOJVDFICI-UHFFFAOYSA-N 0 0 433.515 5.184 1 0 IKAFRN CC(C)(C)c1ccc([C@@H](O)CCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 ZINC000096258432 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CC(C)[C@@H](C)[C@@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937376 571848886 /nfs/dbraw/zinc/84/88/86/571848886.db2.gz SVBMASFUJDIDJC-WGIKKASCSA-N 0 0 446.672 5.043 1 0 endogenous,in-man IKAFRN CC[C@@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118937354 571848903 /nfs/dbraw/zinc/84/89/03/571848903.db2.gz HMMVBUVVQLUGQA-RSMCCURBSA-N 0 0 428.701 7.492 1 0 endogenous,in-man IKAFRN CC(C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]21C ZINC000257580978 571860495 /nfs/dbraw/zinc/86/04/95/571860495.db2.gz VWYANPOOORUCFJ-CPQCRZASSA-N 0 0 426.729 8.025 1 0 endogenous,in-man IKAFRN C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@]2(C)CC[C@@]1(C)O ZINC000085915840 574416873 /nfs/dbraw/zinc/41/68/73/574416873.db2.gz JGOGEYGCWRVPQA-HLRVHWHNSA-N 0 0 440.712 7.348 1 0 endogenous,in-man IKAFRN C[C@@H]1[C@@H]2[C@@H]3CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@]2(C)CC[C@@]1(C)O ZINC000085917128 574416877 /nfs/dbraw/zinc/41/68/77/574416877.db2.gz VCUCVBNQZJFUDR-AZTJUJDPSA-N 0 0 442.728 7.428 1 0 endogenous,in-man IKAFRN CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)C3=CC[C@@H]2C1(C)C ZINC000086035344 574416937 /nfs/dbraw/zinc/41/69/37/574416937.db2.gz IWHPMBHSBARBOW-JXIGXRCXSA-N 0 0 440.756 8.823 1 0 endogenous,in-man IKAFRN CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]2C1(C)C ZINC000086035336 574416939 /nfs/dbraw/zinc/41/69/39/574416939.db2.gz IWHPMBHSBARBOW-HUQYIVGASA-N 0 0 440.756 8.823 1 0 endogenous,in-man IKAFRN C[C@@H]1CC[C@]2(C)[C@@H](O)C[C@@]3(C)C4=CC[C@@H]5C(C)(C)[C@@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2[C@@H]1C ZINC000100776970 574418693 /nfs/dbraw/zinc/41/86/93/574418693.db2.gz RSBGODIKJNCIHA-KJNGYBPASA-N 0 0 442.728 6.996 1 0 endogenous,in-man IKAFRN 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ZINC000009433390 562970938 /nfs/dbraw/zinc/97/09/38/562970938.db2.gz DMDGXFZEMCBQFH-DHIUTWEWSA-N 0 0 434.536 5.749 1 0 IKAFRN O=C(Cc1cccnc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(F)cnc32)CC1 ZINC000011524340 562978771 /nfs/dbraw/zinc/97/87/71/562978771.db2.gz BQUHXBGCBKQERN-UHFFFAOYSA-N 0 0 447.941 5.035 1 0 IKAFRN CC(=O)c1cccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1 ZINC000011753485 562979190 /nfs/dbraw/zinc/97/91/90/562979190.db2.gz BTZFKXILRHPYDW-XMMPIXPASA-N 0 0 429.520 5.070 3 0 IKAFRN COc1ccc(-c2nc3cc(F)ccc3cc2CN(C(=O)c2cccs2)C2CC2)cc1 ZINC000011785778 562979311 /nfs/dbraw/zinc/97/93/11/562979311.db2.gz AASVBXDXXLIUDS-UHFFFAOYSA-N 0 0 432.520 5.916 1 0 IKAFRN COc1ccc(/C=C/c2c3cc(N4CCOCC4)ccc3oc2-c2cccc(C)c2)cc1 ZINC000012476994 562982284 /nfs/dbraw/zinc/98/22/84/562982284.db2.gz CWEQXJWFCBHMCF-XYOKQWHBSA-N 0 0 425.528 6.424 3 0 IKAFRN COc1ccc(-c2noc3c2-c2nc(-c4ccc(Br)cc4)sc2CC3)cc1 ZINC000012477562 562982309 /nfs/dbraw/zinc/98/23/09/562982309.db2.gz RIYZUMVJYXRIBF-UHFFFAOYSA-N 0 0 439.334 6.002 3 0 IKAFRN Fc1cccc(F)c1-c1nc2c(s1)CCc1onc(-c3ccc(Br)cc3)c1-2 ZINC000012477244 562982311 /nfs/dbraw/zinc/98/23/11/562982311.db2.gz BLIGMUXEYWTOOU-UHFFFAOYSA-N 0 0 445.288 6.271 3 0 IKAFRN CC[C@@H](C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)cc1 ZINC000013025375 562984260 /nfs/dbraw/zinc/98/42/60/562984260.db2.gz KMPOAXYUGWTIIV-CLOONOSVSA-N 0 0 445.563 5.635 3 0 IKAFRN C[C@]1(C(=O)NCCc2c[nH]c3ccccc23)C=CC2(CCCCC2)N1C(=O)c1ccccc1 ZINC000013125930 562984920 /nfs/dbraw/zinc/98/49/20/562984920.db2.gz LBIANGDADQNXOJ-HHHXNRCGSA-N 0 0 441.575 5.000 3 0 IKAFRN C[C@@]1(C(=O)NCCc2c[nH]c3ccccc23)C=CC2(CCCCC2)N1C(=O)c1ccccc1 ZINC000013125929 562984951 /nfs/dbraw/zinc/98/49/51/562984951.db2.gz LBIANGDADQNXOJ-MHZLTWQESA-N 0 0 441.575 5.000 3 0 IKAFRN COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@H]1c1cccs1 ZINC000013133358 562985029 /nfs/dbraw/zinc/98/50/29/562985029.db2.gz IUGHHWAIEJEGEN-WLVMFVESSA-N 0 0 425.535 5.190 1 0 IKAFRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2coc3ccccc3c2=O)C2=C(CCCC2=O)N1 ZINC000013153323 562985598 /nfs/dbraw/zinc/98/55/98/562985598.db2.gz TVBGTDDCLKFNRG-QHCPKHFHSA-N 0 0 426.472 5.240 1 0 IKAFRN CC[C@@H](C)C(=O)c1c(O)c2c(oc3c2c(O)c(C(=O)[C@@H](C)CC)c(O)c3C)c(C)c1O ZINC000013298671 562985657 /nfs/dbraw/zinc/98/56/57/562985657.db2.gz SGFCERQKVVMREN-AOOOYVTPSA-N 0 0 428.481 5.483 1 0 in-vitro IKAFRN CCCc1nc(N(C)c2ccc(Cl)cc2Cl)n2ccnc(N(CCC)CCC)c12 ZINC000013437379 562986069 /nfs/dbraw/zinc/98/60/69/562986069.db2.gz YWBPNWTZKONDAO-UHFFFAOYSA-N 0 0 434.415 6.383 1 0 IKAFRN CCCCCOc1cccc2oc(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)nc21 ZINC000013438213 562986089 /nfs/dbraw/zinc/98/60/89/562986089.db2.gz HKSYBFVIZRELCO-NRFANRHFSA-N 0 0 438.524 5.531 1 0 IKAFRN Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccccc3)c1)c1cccc(Cl)c21 ZINC000013439781 562986173 /nfs/dbraw/zinc/98/61/73/562986173.db2.gz DLTSQCDSIQQMDN-UHFFFAOYSA-N 0 0 443.890 5.275 1 0 IKAFRN COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc([C@H](O)C(C)C)n32)c1OC ZINC000013441521 562986351 /nfs/dbraw/zinc/98/63/51/562986351.db2.gz WCAVDBXLKQOHQF-HXUWFJFHSA-N 0 0 440.931 5.295 1 0 IKAFRN CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccc(C)s3)CC2)cc1 ZINC000013444603 562986724 /nfs/dbraw/zinc/98/67/24/562986724.db2.gz VJAQRKGFVIGFJD-UHFFFAOYSA-N 0 0 442.625 5.046 1 0 IKAFRN Cc1cc2c(cc1O)[C@]1(O)Cc3c(c(C)cc4c(C(C)C)ccc(C)c43)O[C@@H]1C[C@H]2C(C)C ZINC000013451077 562987368 /nfs/dbraw/zinc/98/73/68/562987368.db2.gz DDVIVMMKNAZNJE-FXBCZQQTSA-N 0 0 444.615 6.929 1 0 IKAFRN CC1(C)c2cc(O)c(CCCOc3ccccc3)cc2O[C@H]1CCc1ccc(Cl)cc1 ZINC000013453269 562987532 /nfs/dbraw/zinc/98/75/32/562987532.db2.gz CSYFESCVYXXHFC-SANMLTNESA-N 0 0 436.979 6.729 1 0 IKAFRN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC)CC1 ZINC000013455582 562987599 /nfs/dbraw/zinc/98/75/99/562987599.db2.gz LQLJVDXDUMLJJC-MSOLQXFVSA-N 0 0 428.617 5.088 1 0 IKAFRN O=C(Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)c1ccc2ccccc2n1 ZINC000013472562 562988091 /nfs/dbraw/zinc/98/80/91/562988091.db2.gz QGYRKVYFLNADDX-UHFFFAOYSA-N 0 0 431.451 5.648 1 0 IKAFRN COc1cc(/C=C/CC/C=C/C=C(\C)CC[C@@H](O)c2cccs2)cc(OC)c1OC ZINC000013473261 562988235 /nfs/dbraw/zinc/98/82/35/562988235.db2.gz HBDPZSXKPMQKKY-SZSCHUAUSA-N 0 0 428.594 6.584 1 0 IKAFRN COc1cc(/C=C\CC/C=C/C=C(\C)CC[C@@H](O)c2cccs2)cc(OC)c1OC ZINC000013473249 562988259 /nfs/dbraw/zinc/98/82/59/562988259.db2.gz HBDPZSXKPMQKKY-GNUGEVKRSA-N 0 0 428.594 6.584 1 0 IKAFRN C[S@](=O)c1ccc(CSc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cc1 ZINC000013474280 562988670 /nfs/dbraw/zinc/98/86/70/562988670.db2.gz RHAQLHXFOGEKNC-SSEXGKCCSA-N 0 0 435.549 5.374 1 0 IKAFRN C[S@](=O)c1ccccc1CSc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1 ZINC000013474290 562988754 /nfs/dbraw/zinc/98/87/54/562988754.db2.gz VIGHOCFNNZKRLV-SSEXGKCCSA-N 0 0 435.549 5.374 1 0 IKAFRN CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2[C@H]1O3 ZINC000013474854 562988829 /nfs/dbraw/zinc/98/88/29/562988829.db2.gz WMIQSPDXASFBFO-AREMUKBSSA-N 0 0 448.563 5.535 1 0 IKAFRN COc1cc(CNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)ccc1O ZINC000013475558 562988880 /nfs/dbraw/zinc/98/88/80/562988880.db2.gz FGFIMXXLJAZRKO-IGHSUZHJSA-N 0 0 435.608 6.549 1 0 IKAFRN O=C1O[C@](c2ccc(O)cc2)(c2ccc(O)c(Br)c2)c2cccc3cccc1c32 ZINC000013477128 562989042 /nfs/dbraw/zinc/98/90/42/562989042.db2.gz JBQLTVLEUUGFSH-XMMPIXPASA-N 0 0 447.284 5.476 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccc(Br)cc2)cc1 ZINC000013477350 562989058 /nfs/dbraw/zinc/98/90/58/562989058.db2.gz YLZWWUMOLYNALY-UHFFFAOYSA-N 0 0 426.335 5.668 1 0 IKAFRN CCC[C@@H](C)n1c(CC)nc2c1nccc2-c1ccc(S(C)(=O)=O)cc1C(F)(F)F ZINC000013479630 562989274 /nfs/dbraw/zinc/98/92/74/562989274.db2.gz ZVMZPXPBEGJFDF-CYBMUJFWSA-N 0 0 439.503 5.444 1 0 IKAFRN COC(=O)c1cc(-c2ccccc2C)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487105 562989347 /nfs/dbraw/zinc/98/93/47/562989347.db2.gz DCGZQHJFRDWHTA-UHFFFAOYSA-N 0 0 441.314 6.117 1 0 IKAFRN Cc1ccc(NC(=O)c2ccccc2Br)c(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000013487513 562989436 /nfs/dbraw/zinc/98/94/36/562989436.db2.gz MXMBBJRAKFGEKE-UHFFFAOYSA-N 0 0 443.728 5.916 1 0 IKAFRN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1 ZINC000013487941 562989534 /nfs/dbraw/zinc/98/95/34/562989534.db2.gz CCJORWLGDANJOB-UHFFFAOYSA-N 0 0 427.479 5.461 1 0 IKAFRN CCCCOP(=O)(CCCSc1nc2ccc(OCC)cc2s1)OCCCC ZINC000013488973 562989757 /nfs/dbraw/zinc/98/97/57/562989757.db2.gz FENLMPXJEXESNS-UHFFFAOYSA-N 0 0 445.587 7.004 1 0 IKAFRN CCCCOP(=O)(CCCSc1nc2cc(OCC)ccc2[nH]1)OCCCC ZINC000013488983 562989811 /nfs/dbraw/zinc/98/98/11/562989811.db2.gz VIUMCZBURCXGGD-UHFFFAOYSA-N 0 0 428.535 6.270 1 0 IKAFRN Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccccc3C(F)(F)F)c3ccc(C)cc32)cc1 ZINC000013490220 562990137 /nfs/dbraw/zinc/99/01/37/562990137.db2.gz CVBHDWJVOPGPSJ-JPYJTQIMSA-N 0 0 438.493 6.914 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(Br)cc(Br)cc1-3 ZINC000013490450 562990294 /nfs/dbraw/zinc/99/02/94/562990294.db2.gz ZWRSZEGSVDENRS-UHFFFAOYSA-N 0 0 435.159 6.378 1 0 IKAFRN COC(=O)c1cccc(CN(C[C@@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490922 562990359 /nfs/dbraw/zinc/99/03/59/562990359.db2.gz DPAOSJVQJAIHRV-JOCHJYFZSA-N 0 0 445.437 5.195 1 0 IKAFRN Cc1ccccc1-n1nc(-c2c(-c3cccc(Cl)c3Cl)nc3ccccn32)ccc1=O ZINC000013493051 562990836 /nfs/dbraw/zinc/99/08/36/562990836.db2.gz BOWHHQDNSQZWEF-UHFFFAOYSA-N 0 0 447.325 5.829 1 0 IKAFRN O=C(Cc1cccc2ccccc21)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000013493819 562990905 /nfs/dbraw/zinc/99/09/05/562990905.db2.gz GQHPKNVJWHPPSS-UHFFFAOYSA-N 0 0 449.337 6.580 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)Cc1cccs1 ZINC000013517599 562991181 /nfs/dbraw/zinc/99/11/81/562991181.db2.gz HOXXZIGMLCYDKG-NTNVCBRRSA-N 0 0 427.698 7.941 1 0 IKAFRN CCCc1ccccc1/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000013527196 562991790 /nfs/dbraw/zinc/99/17/90/562991790.db2.gz HYKRMHHQPATRRG-YSMPRRRNSA-N 0 0 425.547 7.943 1 0 IKAFRN CCSCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 ZINC000013530112 562991947 /nfs/dbraw/zinc/99/19/47/562991947.db2.gz HVCDJOYONXCYFW-UHFFFAOYSA-N 0 0 442.584 5.245 1 0 IKAFRN CCO[C@H](C)c1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 ZINC000013530127 562992002 /nfs/dbraw/zinc/99/20/02/562992002.db2.gz ZGDQUQUBRNXFSB-MRXNPFEDSA-N 0 0 440.543 5.089 1 0 IKAFRN CCO[C@@H](C)c1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 ZINC000013530124 562992091 /nfs/dbraw/zinc/99/20/91/562992091.db2.gz ZGDQUQUBRNXFSB-INIZCTEOSA-N 0 0 440.543 5.089 1 0 IKAFRN Cc1[nH]nc2c1cc(NS(=O)(=O)c1cccc(-c3cccc(C)c3)c1)cc2NCC(C)C ZINC000013531418 562992215 /nfs/dbraw/zinc/99/22/15/562992215.db2.gz MPXLSSDXOMOHKZ-UHFFFAOYSA-N 0 0 448.592 5.715 1 0 IKAFRN O=S(=O)(Nc1cc2c(Cl)n[nH]c2c(NCc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000013531376 562992220 /nfs/dbraw/zinc/99/22/20/562992220.db2.gz HTLWIBKOKWDJNH-UHFFFAOYSA-N 0 0 447.347 5.283 1 0 IKAFRN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Oc3ccccc32)cc1 ZINC000013534493 562992235 /nfs/dbraw/zinc/99/22/35/562992235.db2.gz FPJDZGIWNCCHKP-UHFFFAOYSA-N 0 0 434.495 6.200 1 0 IKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)Nc3ccccn3)sc2c1 ZINC000013534064 562992246 /nfs/dbraw/zinc/99/22/46/562992246.db2.gz MKGDVCMJYVWAAG-UHFFFAOYSA-N 0 0 437.912 5.549 1 0 IKAFRN Cc1ccccc1CC(=O)Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1 ZINC000013533947 562992277 /nfs/dbraw/zinc/99/22/77/562992277.db2.gz KXGNMEUQPMKTNL-UHFFFAOYSA-N 0 0 449.963 6.000 1 0 IKAFRN Clc1ccc(-c2ccc(-c3cc(-c4nn[nH]n4)nn3-c3cccnc3)cc2)c(Cl)c1 ZINC000013534783 562992311 /nfs/dbraw/zinc/99/23/11/562992311.db2.gz AGCYDGMQUWTLDB-UHFFFAOYSA-N 0 0 434.290 5.088 1 0 IKAFRN Cc1ccc2c(c1)ncnc2N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000013538353 562992584 /nfs/dbraw/zinc/99/25/84/562992584.db2.gz IESIZUQERZEHGT-UHFFFAOYSA-N 0 0 439.519 5.085 1 0 IKAFRN CCCCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553419 562992889 /nfs/dbraw/zinc/99/28/89/562992889.db2.gz JXELTGMXNFAUNO-UHFFFAOYSA-N 0 0 431.411 6.657 1 0 IKAFRN CCCCCCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553431 562992927 /nfs/dbraw/zinc/99/29/27/562992927.db2.gz CILZIIZRDVNCPT-UHFFFAOYSA-N 0 0 449.426 6.284 1 0 IKAFRN CCC1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)(C)O)C[C@H]1O ZINC000013558804 562993626 /nfs/dbraw/zinc/99/36/26/562993626.db2.gz VIQMBMNGDAEUQV-NMQTYBSWSA-N 0 0 432.689 6.175 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H](O)CO)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013583435 562994966 /nfs/dbraw/zinc/99/49/66/562994966.db2.gz LSELGPATKKQQTF-CTWCCQBJSA-N 0 0 448.732 6.804 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@H](O)CO)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013583438 562994973 /nfs/dbraw/zinc/99/49/73/562994973.db2.gz LSELGPATKKQQTF-YLYJFYJESA-N 0 0 448.732 6.804 1 0 IKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3)[nH]c(=O)c12 ZINC000013585162 562995059 /nfs/dbraw/zinc/99/50/59/562995059.db2.gz MKQRMAQXDANGMN-UHFFFAOYSA-N 0 0 433.726 5.222 1 0 IKAFRN C[C@H]1Cc2ccc(O)cc2CN1Cc1ccccc1C(=O)NCC/C=C/c1ccccc1 ZINC000013589147 562996280 /nfs/dbraw/zinc/99/62/80/562996280.db2.gz ARWAMBQDACJJIL-AKERNLMBSA-N 0 0 426.560 5.172 1 0 IKAFRN Cc1cn(CCC2CCCCC2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000013589702 562996452 /nfs/dbraw/zinc/99/64/52/562996452.db2.gz MYBHWAVLLSQXOM-UHFFFAOYSA-N 0 0 430.379 6.874 1 0 IKAFRN COc1cccc(Cn2cc(C)c3ccc(C(=O)Nc4c(Cl)cncc4Cl)cc32)c1 ZINC000013589709 562996465 /nfs/dbraw/zinc/99/64/65/562996465.db2.gz MPPSPPDSBGNALD-UHFFFAOYSA-N 0 0 440.330 5.961 1 0 IKAFRN COc1ccccc1Cn1cc(C)c2ccc(C(=O)Nc3c(Cl)cncc3Cl)cc21 ZINC000013589708 562996498 /nfs/dbraw/zinc/99/64/98/562996498.db2.gz FHAYVBSBEQJUMH-UHFFFAOYSA-N 0 0 440.330 5.961 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)CC(c1ccccc1)c1ccccc1 ZINC000013600126 562996758 /nfs/dbraw/zinc/99/67/58/562996758.db2.gz UGRGXEKLUXNFOM-UHFFFAOYSA-N 0 0 427.588 7.053 1 0 IKAFRN COc1ccc(N2C(=O)[C@@H](CCCc3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000013604451 562997130 /nfs/dbraw/zinc/99/71/30/562997130.db2.gz UOAGRQSXJQWOLW-JYFHCDHNSA-N 0 0 431.532 5.439 1 0 IKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(C)cc4)cc3)c2cc1OC ZINC000013610093 562997656 /nfs/dbraw/zinc/99/76/56/562997656.db2.gz ARFSBNIXMVQEPO-UHFFFAOYSA-N 0 0 429.476 5.997 1 0 IKAFRN CC(=O)N1c2ccc(C(=O)NCc3cccs3)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013611407 562997824 /nfs/dbraw/zinc/99/78/24/562997824.db2.gz VIDRCLKYUFUTRQ-SANMLTNESA-N 0 0 432.589 5.519 1 0 IKAFRN Cc1c(C(=O)OC(C)(C)C)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013611897 562997927 /nfs/dbraw/zinc/99/79/27/562997927.db2.gz IVSBKGWMJJCQHO-UHFFFAOYSA-N 0 0 437.754 6.763 1 0 IKAFRN Cc1c(C(=O)NC2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013611882 562997975 /nfs/dbraw/zinc/99/79/75/562997975.db2.gz AIRRFXOPAYAPCU-UHFFFAOYSA-N 0 0 448.781 6.480 1 0 IKAFRN CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO ZINC000013634990 562998167 /nfs/dbraw/zinc/99/81/67/562998167.db2.gz DPIFUIZFNOZKRB-DFIYOIEZSA-N 0 0 437.561 5.289 3 0 in-vitro IKAFRN CCO[C@@H]1OC(C(=O)Nc2ccccc2)=C[C@H](c2csc3ccccc32)[C@H]1CCCO ZINC000013634950 562998228 /nfs/dbraw/zinc/99/82/28/562998228.db2.gz DPIFUIZFNOZKRB-OHUGHZGNSA-N 0 0 437.561 5.289 3 0 IKAFRN c1ccc(OCc2nnc(CCCCCCCc3nnc(COc4ccccc4)o3)o2)cc1 ZINC000013645651 562998773 /nfs/dbraw/zinc/99/87/73/562998773.db2.gz HEUUNKFJNCBDSN-UHFFFAOYSA-N 0 0 448.523 5.346 1 0 IKAFRN O=C(COCc1ccccc1)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1 ZINC000013648385 562998842 /nfs/dbraw/zinc/99/88/42/562998842.db2.gz VNWIFJVTNVMBLJ-UHFFFAOYSA-N 0 0 445.910 5.091 1 0 IKAFRN C[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C/I)[C@H]12 ZINC000013649403 562998893 /nfs/dbraw/zinc/99/88/93/562998893.db2.gz PHEIPZRUBHZNOH-OQKUDXMKSA-N 0 0 438.349 5.174 1 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)c(F)c4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/I ZINC000013651615 562999155 /nfs/dbraw/zinc/99/91/55/562999155.db2.gz QUVCCEPCXNTKAQ-GHUYQSKLSA-N 0 0 442.312 5.067 1 0 IKAFRN C[C@]12CC[C@@H]3c4cc(F)c(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/I ZINC000013651614 562999165 /nfs/dbraw/zinc/99/91/65/562999165.db2.gz HLVDBXRUIZJDOP-YTOBHLGISA-N 0 0 442.312 5.067 1 0 IKAFRN Cc1ccc(N(C(=O)Nc2cccc(Cl)c2)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000013652452 562999365 /nfs/dbraw/zinc/99/93/65/562999365.db2.gz GECZRZKXOAHEMK-KRWDZBQOSA-N 0 0 446.938 5.993 1 0 IKAFRN CN(C)c1ccc(C(=O)Nc2ccc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)cc1 ZINC000013661016 562999682 /nfs/dbraw/zinc/99/96/82/562999682.db2.gz HAVQPBDKFKRNML-UHFFFAOYSA-N 0 0 434.879 5.137 3 0 IKAFRN C[C@@H]1CC=C[C@@H]2[C@H](c3ccc(F)c(/C=C/c4ccccc4)c3)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000013662020 562999782 /nfs/dbraw/zinc/99/97/82/562999782.db2.gz IJIJLKCYGJLICK-WACQLOJESA-N 0 0 437.558 6.908 3 0 IKAFRN COc1ccc(-c2ccc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661828 562999807 /nfs/dbraw/zinc/99/98/07/562999807.db2.gz VQWJEKXDIGIDCM-MDZVADFISA-N 0 0 441.546 6.557 3 0 IKAFRN Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000013673644 563000193 /nfs/dbraw/zinc/00/01/93/563000193.db2.gz CPGDDAIHGOCSDF-UHFFFAOYSA-N 0 0 444.347 6.200 1 0 IKAFRN Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000013673639 563000237 /nfs/dbraw/zinc/00/02/37/563000237.db2.gz BCZYLNWFHXDTAQ-UHFFFAOYSA-N 0 0 443.454 5.912 1 0 IKAFRN Nc1nnc2[n-][nH+]c(-c3ccccc3-c3ccccc3)c(-c3ccccc3-c3ccccc3)c1-2 ZINC000013674779 563000347 /nfs/dbraw/zinc/00/03/47/563000347.db2.gz VWZZLFYUGFGTOK-UHFFFAOYSA-N 0 0 439.522 6.603 1 0 IKAFRN CC[C@@]1(c2ccc(COc3ccccc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675335 563000407 /nfs/dbraw/zinc/00/04/07/563000407.db2.gz BFPHQLQGXWTHSA-MHZLTWQESA-N 0 0 443.930 6.590 1 0 IKAFRN O=c1cc(N2CCOCC2)oc2c1cccc2-c1cccc2c1Oc1ccccc1S2 ZINC000013677261 563000634 /nfs/dbraw/zinc/00/06/34/563000634.db2.gz IAMQVMPIHMBYSY-UHFFFAOYSA-N 0 0 429.497 5.554 1 0 in-vivo IKAFRN O=C1[C@@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000013680154 563000863 /nfs/dbraw/zinc/00/08/63/563000863.db2.gz QGYPCSASJKJMAT-LJQANCHMSA-N 0 0 431.706 6.361 1 0 IKAFRN COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC(F)(F)F)cc1 ZINC000013681576 563000927 /nfs/dbraw/zinc/00/09/27/563000927.db2.gz KHOQTIOVNITGFA-UHFFFAOYSA-N 0 0 443.425 5.038 1 0 IKAFRN C[C@@H](NC(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O)c1ccccc1 ZINC000013681897 563000985 /nfs/dbraw/zinc/00/09/85/563000985.db2.gz VYRBSTNFIWINRM-SSLMAHNGSA-N 0 0 431.576 5.311 1 0 IKAFRN O=C(Nc1cccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)c1)c1ccccc1 ZINC000013682585 563001021 /nfs/dbraw/zinc/00/10/21/563001021.db2.gz VSMZQQACFYBHGZ-UHFFFAOYSA-N 0 0 439.462 6.825 3 0 IKAFRN COC(=O)c1ccc(C2=NO[C@](C)(c3sc(-c4ccc(Cl)cc4)nc3C)C2)cc1 ZINC000013682699 563001026 /nfs/dbraw/zinc/00/10/26/563001026.db2.gz DIAFXVJJVAKDRY-QFIPXVFZSA-N 0 0 426.925 5.598 3 0 IKAFRN O=C(Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000013682554 563001039 /nfs/dbraw/zinc/00/10/39/563001039.db2.gz PHEZHENVASWZKN-UHFFFAOYSA-N 0 0 439.462 6.825 3 0 IKAFRN COc1cc2nccc(Oc3ccc(NC(=O)NCCC4CCCCC4)cc3)c2cc1OC ZINC000013684337 563001102 /nfs/dbraw/zinc/00/11/02/563001102.db2.gz UYKAWFPHLALKPV-UHFFFAOYSA-N 0 0 449.551 6.136 1 0 IKAFRN COc1cc2nccc(Oc3ccc(NC(=S)NC4CCCCC4)cc3)c2cc1OC ZINC000013684345 563001112 /nfs/dbraw/zinc/00/11/12/563001112.db2.gz JGKOYZSEGMIFTB-UHFFFAOYSA-N 0 0 437.565 5.663 1 0 IKAFRN CC(C)Oc1cccc(-n2c(=O)c3ccccc3nc2[C@H](C)Cc2c[nH]c3ccccc23)c1 ZINC000013725292 563001307 /nfs/dbraw/zinc/00/13/07/563001307.db2.gz WVXCNBCXGRBJPK-LJQANCHMSA-N 0 0 437.543 6.000 1 0 IKAFRN CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cc(OC)ccc2n1 ZINC000013728679 563001477 /nfs/dbraw/zinc/00/14/77/563001477.db2.gz VRBGNMLKAUIIEZ-UHFFFAOYSA-N 0 0 437.503 5.232 1 0 IKAFRN O=C([O-])[C@H]1CCC[N@H+](CCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000013729471 563001732 /nfs/dbraw/zinc/00/17/32/563001732.db2.gz KPZUTHNOTKBJBS-QHCPKHFHSA-N 0 0 429.560 5.182 1 0 IKAFRN CC1=CC(=O)O[C@@H](CSc2nc(-c3cccc(Cl)c3)c(-c3cccc(Cl)c3)[nH]2)C1 ZINC000013730537 563001817 /nfs/dbraw/zinc/00/18/17/563001817.db2.gz OZZSUPKATKRUAT-GOSISDBHSA-N 0 0 445.371 6.404 1 0 IKAFRN CCc1ccc2c(c1)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000013735194 563002236 /nfs/dbraw/zinc/00/22/36/563002236.db2.gz GVIAOKOSBKGSLO-HHHXNRCGSA-N 0 0 427.588 7.159 1 0 IKAFRN CC(C)(C)c1ccc2c(c1)[C@H](C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1CO2 ZINC000013735111 563002267 /nfs/dbraw/zinc/00/22/67/563002267.db2.gz FCWKKHQFMBQCEL-JOCHJYFZSA-N 0 0 440.370 6.954 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NC(=O)c1cnccn1)c1ccccc1 ZINC000013737232 563002479 /nfs/dbraw/zinc/00/24/79/563002479.db2.gz SDFUBPAOMHMBKH-JOCHJYFZSA-N 0 0 445.567 5.016 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NC(=O)c1ccccn1)c1ccccc1 ZINC000013737216 563002534 /nfs/dbraw/zinc/00/25/34/563002534.db2.gz SYIDHBHPUCQHFR-XMMPIXPASA-N 0 0 444.579 5.621 1 0 IKAFRN Cc1[nH]c2cc(OCc3ccccc3)ccc2c1C(=O)[C@@H]1CS[C@@H](c2cccnc2)N1 ZINC000013737514 563002584 /nfs/dbraw/zinc/00/25/84/563002584.db2.gz ZETIYJQATOWHHF-DHLKQENFSA-N 0 0 429.545 5.037 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N1c2ccccc2Cc2ccccc21 ZINC000013738002 563002745 /nfs/dbraw/zinc/00/27/45/563002745.db2.gz BRBZRNXMSMPAIN-UHFFFAOYSA-N 0 0 427.548 6.917 1 0 IKAFRN [NH2+]=C(Nc1ccccc1)c1ccc(-c2ccc(C3=CC[C@@](O)(CC(=O)[O-])CC3)cc2)cc1 ZINC000013739727 563002992 /nfs/dbraw/zinc/00/29/92/563002992.db2.gz GXEOQVIWYSZCJA-MHZLTWQESA-N 0 0 426.516 5.564 1 0 IKAFRN O=C1N[C@@H](Cc2c[nH]c3ccccc23)CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013740637 563003118 /nfs/dbraw/zinc/00/31/18/563003118.db2.gz JBVZKIPJQKKQCY-INIZCTEOSA-N 0 0 441.375 5.342 1 0 IKAFRN Cc1ccc2c(c1NC(=O)C(C)(C)CCCCOc1ccc(Cl)cc1)OCCC2=O ZINC000013742731 563003492 /nfs/dbraw/zinc/00/34/92/563003492.db2.gz RXJQDXVWPLEKTM-UHFFFAOYSA-N 0 0 429.944 5.828 1 0 IKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(Cl)c1 ZINC000013742748 563003493 /nfs/dbraw/zinc/00/34/93/563003493.db2.gz RNMGUTOEDMXVAX-QKONGSNMSA-N 0 0 426.988 5.192 1 0 IKAFRN COc1ccc2c(c1NC(=O)C(C)(C)CCCc1ccc(CC(C)C)cc1)OCCC2=O ZINC000013742730 563003535 /nfs/dbraw/zinc/00/35/35/563003535.db2.gz XRUOTGIJTAIZKS-UHFFFAOYSA-N 0 0 437.580 5.847 1 0 IKAFRN O=C(N[C@@H]1c2ccccc2CC[C@@H]1c1cccc(O)c1)C(c1ccccc1)c1ccccc1 ZINC000013755658 563004279 /nfs/dbraw/zinc/00/42/79/563004279.db2.gz NYWIQYRZOVMQRF-XRKRLSELSA-N 0 0 433.551 6.112 1 0 IKAFRN COc1cccc([C@H]2CCc3ccccc3[C@@H]2NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000013755652 563004299 /nfs/dbraw/zinc/00/42/99/563004299.db2.gz ZFRGDGGCVIMPFS-DGPALRBDSA-N 0 0 447.578 6.415 1 0 IKAFRN O=C(N[C@H]1c2ccc(O)cc2CC[C@@H]1c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000013755672 563004308 /nfs/dbraw/zinc/00/43/08/563004308.db2.gz HUPLWXPMAHRRPY-GGXMVOPNSA-N 0 0 433.551 6.112 1 0 IKAFRN Nc1ccc([C@H]2CCc3ccccc3[C@H]2NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000013755662 563004314 /nfs/dbraw/zinc/00/43/14/563004314.db2.gz ABDJBFOEUZBRLK-XRKRLSELSA-N 0 0 432.567 5.988 1 0 IKAFRN O=C(N[C@H]1c2ccccc2CCC[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 ZINC000013755690 563004320 /nfs/dbraw/zinc/00/43/20/563004320.db2.gz GNVUISULKNXGJZ-DGPALRBDSA-N 0 0 447.578 6.502 1 0 IKAFRN O=C(N[C@H]1c2ccccc2CC[C@@H]1c1cccc(O)c1)C(c1ccccc1)c1ccccc1 ZINC000013755656 563004334 /nfs/dbraw/zinc/00/43/34/563004334.db2.gz NYWIQYRZOVMQRF-PXJZQJOASA-N 0 0 433.551 6.112 1 0 IKAFRN O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cc(Cl)cc(Cl)c1 ZINC000013757927 563004611 /nfs/dbraw/zinc/00/46/11/563004611.db2.gz XRMQXOYLWNWWCU-UHFFFAOYSA-N 0 0 425.315 5.839 1 0 IKAFRN CCCN(CCC)C(=O)/C=C1\c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1 ZINC000013759891 563004828 /nfs/dbraw/zinc/00/48/28/563004828.db2.gz NXVPVFGSKVBDIO-CJLVFECKSA-N 0 0 433.939 5.538 1 0 IKAFRN Clc1sccc1CO[C@H]1c2cc(Cl)c(Cl)cc2S[C@@H]1Cn1ccnc1 ZINC000013775767 563005664 /nfs/dbraw/zinc/00/56/64/563005664.db2.gz YEHKRXJFFRNTNF-CVEARBPZSA-N 0 0 431.797 6.337 1 0 IKAFRN Clc1ccc2c(c1)[C@H](OCc1ccc(Cl)cc1Cl)[C@@H](Cn1ccnc1)S2 ZINC000013775781 563005700 /nfs/dbraw/zinc/00/57/00/563005700.db2.gz QUQDOQTVANCRAB-MOPGFXCFSA-N 0 0 425.768 6.276 1 0 IKAFRN Clc1sc2ccccc2c1CO[C@@H]1c2ccc(Cl)cc2S[C@@H]1Cn1ccnc1 ZINC000013775776 563005736 /nfs/dbraw/zinc/00/57/36/563005736.db2.gz BRPJSQZYCDIZHG-WOJBJXKFSA-N 0 0 447.412 6.837 1 0 IKAFRN Clc1ccc2c(c1)[C@@H](OCc1c(Cl)cccc1Cl)[C@H](Cn1ccnc1)S2 ZINC000013775787 563005752 /nfs/dbraw/zinc/00/57/52/563005752.db2.gz ZAALNFSOYYCKNV-RBUKOAKNSA-N 0 0 425.768 6.276 1 0 IKAFRN CCCCC(C)(C)OC(=O)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013778596 563006047 /nfs/dbraw/zinc/00/60/47/563006047.db2.gz MIGQWALYIGJROC-DEOSSOPVSA-N 0 0 437.624 7.168 1 0 IKAFRN O=c1oc(Nc2ccccc2I)nc2cc(C3CCCCC3)ccc21 ZINC000013779202 563006126 /nfs/dbraw/zinc/00/61/26/563006126.db2.gz VBUNGPQKWXGCNP-UHFFFAOYSA-N 0 0 446.288 5.584 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3ccccc3)nc2)C2CCCCCC2)c(C)c1 ZINC000013779964 563006319 /nfs/dbraw/zinc/00/63/19/563006319.db2.gz KVGDCQJANIWEJB-UHFFFAOYSA-N 0 0 441.619 7.431 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3cc[nH]n3)c2)C2CCCCCC2)c(C)c1 ZINC000013779975 563006328 /nfs/dbraw/zinc/00/63/28/563006328.db2.gz STAKTOXRYBVHMR-UHFFFAOYSA-N 0 0 430.596 6.759 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-n3cccc3)cc2)C2CCCCCC2)c(C)c1 ZINC000013779970 563006336 /nfs/dbraw/zinc/00/63/36/563006336.db2.gz MRSQHXGNWFPSII-UHFFFAOYSA-N 0 0 429.608 7.159 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3ccccc3)s2)C2CCCCCC2)c(C)c1 ZINC000013779958 563006337 /nfs/dbraw/zinc/00/63/37/563006337.db2.gz UEYKLYKQEQKGJX-UHFFFAOYSA-N 0 0 446.660 8.097 1 0 IKAFRN COC(=O)CC[C@@]1(C)C(=O)C[C@H](C)[C@H]2[C@@H]3CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]21 ZINC000013781887 563006734 /nfs/dbraw/zinc/00/67/34/563006734.db2.gz XFCVTFKDDBKWIC-XVGXWQJNSA-N 0 0 432.689 7.076 1 0 IKAFRN CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000013783368 563006921 /nfs/dbraw/zinc/00/69/21/563006921.db2.gz DOMWKUIIPQCAJU-HZQFOQKQSA-N 0 0 428.613 5.970 1 0 IKAFRN CCCN(c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1)C1CC1 ZINC000013794455 563007087 /nfs/dbraw/zinc/00/70/87/563007087.db2.gz QWZWYWPOEFNQOM-UHFFFAOYSA-N 0 0 431.422 6.208 1 0 IKAFRN CCCCN(CC)c1cc(C)nc2c1nc(C)n2-c1ccc(C(C)C)cc1Br ZINC000013795055 563007184 /nfs/dbraw/zinc/00/71/84/563007184.db2.gz YYQDEOIVUKPKOS-UHFFFAOYSA-N 0 0 443.433 6.550 1 0 IKAFRN CCCC[C@@H](CC)Oc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794900 563007194 /nfs/dbraw/zinc/00/71/94/563007194.db2.gz LNFDMCDSXCFDJA-MRXNPFEDSA-N 0 0 446.393 5.752 1 0 IKAFRN CCCC[C@H](CC)Nc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794862 563007219 /nfs/dbraw/zinc/00/72/19/563007219.db2.gz HSKXPCSIBAPTEP-KRWDZBQOSA-N 0 0 444.421 6.391 1 0 IKAFRN CCCC[C@@H](CC)Oc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794906 563007220 /nfs/dbraw/zinc/00/72/20/563007220.db2.gz CLKMAPNSJGSCMG-QGZVFWFLSA-N 0 0 445.405 6.357 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1-c1ccccc1)c1ccccc1 ZINC000013795670 563007271 /nfs/dbraw/zinc/00/72/71/563007271.db2.gz MKVYTKVBSRSKRX-SANMLTNESA-N 0 0 442.562 7.450 1 0 IKAFRN O=C([O-])[C@@H]1CCC[N@H+](CCOCC=C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000013801376 563007899 /nfs/dbraw/zinc/00/78/99/563007899.db2.gz UAWYCYJFQNXPAI-LJQANCHMSA-N 0 0 434.363 5.238 1 0 IKAFRN CN1CC[C@](O)(c2ccc(Cl)cc2Cl)[C@@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000013804576 563008312 /nfs/dbraw/zinc/00/83/12/563008312.db2.gz OVHJBARWJMLZJX-MNEFBYGVSA-N 0 0 435.178 5.173 1 0 IKAFRN O=C(/C=C/c1cccc(Sc2ccc(Cl)cc2Cl)c1)NCCCn1ccnc1 ZINC000013814780 563009181 /nfs/dbraw/zinc/00/91/81/563009181.db2.gz ZMNYLLRCGCLLBE-VMPITWQZSA-N 0 0 432.376 5.561 1 0 IKAFRN O=C(/C=C/c1cccc(Sc2ccc(Cl)cc2Cl)c1)NCCCN1CCCC1=O ZINC000013814786 563009214 /nfs/dbraw/zinc/00/92/14/563009214.db2.gz XYVMREVGRHBAGZ-JXMROGBWSA-N 0 0 449.403 5.287 1 0 IKAFRN O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NCCCN1CCCC1=O ZINC000013814763 563009226 /nfs/dbraw/zinc/00/92/26/563009226.db2.gz MRRPIOMZRFFWSS-DHZHZOJOSA-N 0 0 449.403 5.287 1 0 IKAFRN CN1CCN(C(=O)/C=C/c2ccc(Sc3ccc(Cl)cc3Cl)c(Cl)c2)CC1 ZINC000013814812 563009236 /nfs/dbraw/zinc/00/92/36/563009236.db2.gz OPVNCZMKIWFYNT-XVNBXDOJSA-N 0 0 441.811 5.585 1 0 IKAFRN O=C(c1oc2cc(O)ccc2c1-c1cccc2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000013818648 563009723 /nfs/dbraw/zinc/00/97/23/563009723.db2.gz NSMPQBHBHUCQCZ-UHFFFAOYSA-N 0 0 440.498 7.857 1 0 IKAFRN CCCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013824643 563010399 /nfs/dbraw/zinc/01/03/99/563010399.db2.gz PHPBPOAOXZGRJY-UHFFFAOYSA-N 0 0 437.551 5.286 1 0 IKAFRN CCCCCNC(=O)Nc1c(F)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827662 563010700 /nfs/dbraw/zinc/01/07/00/563010700.db2.gz ZPNGQLCFZQUSLZ-UHFFFAOYSA-N 0 0 438.547 5.778 1 0 IKAFRN CCCCc1nc2cccc(OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828037 563010848 /nfs/dbraw/zinc/01/08/48/563010848.db2.gz ACZMKFZUWWULIT-UHFFFAOYSA-N 0 0 438.535 5.283 1 0 IKAFRN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1ccccc1 ZINC000013828623 563010856 /nfs/dbraw/zinc/01/08/56/563010856.db2.gz WFMLIORVQFGQDU-AREMUKBSSA-N 0 0 440.499 5.634 1 0 IKAFRN COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1ccccc1 ZINC000013828625 563010882 /nfs/dbraw/zinc/01/08/82/563010882.db2.gz WFMLIORVQFGQDU-SANMLTNESA-N 0 0 440.499 5.634 1 0 IKAFRN Cc1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830450 563011026 /nfs/dbraw/zinc/01/10/26/563011026.db2.gz YSRZWGRSLGAGHJ-ONDZYYNLSA-N 0 0 425.547 6.857 1 0 IKAFRN COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830476 563011043 /nfs/dbraw/zinc/01/10/43/563011043.db2.gz IYQXWEQTZIWLBE-PNVLYOGYSA-N 0 0 441.546 6.413 1 0 IKAFRN COc1ccc(-c2ccc(C)cc2)cc1[C@@H]1[C@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013829912 563011056 /nfs/dbraw/zinc/01/10/56/563011056.db2.gz UYTCXJUVDNZGAE-YQKLYGQBSA-N 0 0 437.583 6.727 1 0 IKAFRN CCCN(CCC)C(=O)Cc1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000013833116 563011679 /nfs/dbraw/zinc/01/16/79/563011679.db2.gz NMCZGTZUYQITBV-UHFFFAOYSA-N 0 0 427.386 5.643 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc3ccccc32)CCCC1 ZINC000013833470 563011757 /nfs/dbraw/zinc/01/17/57/563011757.db2.gz QBMSBJREQNGWNM-UHFFFAOYSA-N 0 0 428.620 7.720 1 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccccc1Br ZINC000013835223 563012140 /nfs/dbraw/zinc/01/21/40/563012140.db2.gz FCUSIKMWKRHAJK-FQFZUICKSA-N 0 0 441.409 5.985 1 0 IKAFRN COc1c(Cl)c(C)c(C=O)c(OC)c1C[C@H]1O[C@]1(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835893 563012301 /nfs/dbraw/zinc/01/23/01/563012301.db2.gz KIVOGSVZBUZKSW-HPIXLWHXSA-N 0 0 448.987 5.376 1 0 IKAFRN COc1c(Cl)c(C)c(C=O)c(O)c1C/C=C(\C)CC/C=C(\C)[C@@H]1CC(=O)C(C)(C)O1 ZINC000013835902 563012307 /nfs/dbraw/zinc/01/23/07/563012307.db2.gz HOEXWSYPWQXJFN-XPDHNEBTSA-N 0 0 434.960 5.527 1 0 IKAFRN Nc1nc2[nH]c(Cc3cccc4ccccc43)cc2c(Nc2cccc(Br)c2)n1 ZINC000013859512 563012380 /nfs/dbraw/zinc/01/23/80/563012380.db2.gz LAYLTVRTYJGALT-UHFFFAOYSA-N 0 0 444.336 5.790 1 0 IKAFRN COCOc1cccc([C@@H]2Oc3cccc(OC)c3-c3ccc4c(c32)C(C)=CC(C)(C)N4)c1 ZINC000013863759 563013387 /nfs/dbraw/zinc/01/33/87/563013387.db2.gz AKWLHIKHZRXJAM-MHZLTWQESA-N 0 0 443.543 6.434 1 0 IKAFRN Cc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)cc1C ZINC000013864341 563013512 /nfs/dbraw/zinc/01/35/12/563013512.db2.gz JIJACGLQHSXJHS-UHFFFAOYSA-N 0 0 428.344 5.831 1 0 IKAFRN O=c1ncn2nc(Sc3cccc(Cl)c3)ccc2c1-c1c(Cl)cccc1Cl ZINC000013864345 563013527 /nfs/dbraw/zinc/01/35/27/563013527.db2.gz PDLOZSUJEHDJCF-UHFFFAOYSA-N 0 0 434.735 5.868 1 0 IKAFRN O=C(Oc1ccccc1)N1Cc2ccccc2[C@H](c2ccccc2Cl)c2ccccc21 ZINC000013913492 563013930 /nfs/dbraw/zinc/01/39/30/563013930.db2.gz AQIYLSWXWDDKJM-AREMUKBSSA-N 0 0 425.915 7.039 1 0 IKAFRN COc1ccc(-c2c(C)c3c(n2-c2ccccc2Cl)CCN(N2CCCCC2)C3=O)cc1 ZINC000013982503 563014156 /nfs/dbraw/zinc/01/41/56/563014156.db2.gz YSRDTQVGWWJELA-UHFFFAOYSA-N 0 0 449.982 5.514 1 0 IKAFRN COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1CO)O2)C(C)=CC(C)(C)N3 ZINC000013983630 563014249 /nfs/dbraw/zinc/01/42/49/563014249.db2.gz QQGISFDJEJMKIL-JAIQZWGSSA-N 0 0 447.556 6.120 1 0 IKAFRN O=C1c2ccccc2[C@](O[C@@H]2CC[C@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000013985968 563014301 /nfs/dbraw/zinc/01/43/01/563014301.db2.gz BCVUSPMNVJOVNH-VVZHRXSXSA-N 0 0 433.935 5.127 1 0 IKAFRN C/C=C/C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000014277068 563014408 /nfs/dbraw/zinc/01/44/08/563014408.db2.gz NXKDYJHNYBLLKQ-AXAVISMGSA-N 0 0 442.772 8.661 1 0 IKAFRN FC(F)(Cl)Oc1ccc(Nc2nnc(-c3ccncc3CCc3ccncc3)o2)cc1 ZINC000014946592 563015385 /nfs/dbraw/zinc/01/53/85/563015385.db2.gz YAABETSOYMTOSK-UHFFFAOYSA-N 0 0 443.841 5.223 1 0 IKAFRN Fc1ccc(CCc2ncccc2-c2nnc(Nc3cccc(C(F)(F)F)c3)o2)cc1F ZINC000014946576 563015415 /nfs/dbraw/zinc/01/54/15/563015415.db2.gz FPGOIPSDOHTGRC-UHFFFAOYSA-N 0 0 446.379 5.957 1 0 IKAFRN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Nc1ncccc1-c1ccncn1 ZINC000014957203 563015911 /nfs/dbraw/zinc/01/59/11/563015911.db2.gz JQSZIQAUXOKNJP-UHFFFAOYSA-N 0 0 449.436 5.862 1 0 IKAFRN Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4Cl)cc3)c21 ZINC000014957335 563015948 /nfs/dbraw/zinc/01/59/48/563015948.db2.gz BTAQQMMTAQWGCF-UHFFFAOYSA-N 0 0 447.804 5.788 1 0 IKAFRN COc1ccc(F)cc1-c1ccc2c(c1)C(CSCCc1ccccc1)=CC(C)(C)N2 ZINC000014968704 563016371 /nfs/dbraw/zinc/01/63/71/563016371.db2.gz VRGIPALWMYWNEK-UHFFFAOYSA-N 0 0 433.592 7.065 1 0 IKAFRN O=C1OC(c2ccc(O)c(Cl)c2)(c2ccc(O)c(Cl)c2)c2ccc3ccccc3c21 ZINC000014968886 563016466 /nfs/dbraw/zinc/01/64/66/563016466.db2.gz AXESJKFUKLHVMJ-UHFFFAOYSA-N 0 0 437.278 6.020 1 0 IKAFRN COc1ccccc1-c1ccc2c(c1)C([C@@H](C)OC/C=C/c1ccccc1)=CC(C)(C)N2 ZINC000014968814 563016473 /nfs/dbraw/zinc/01/64/73/563016473.db2.gz XLEGIUMNLZUICH-QYFOZDBKSA-N 0 0 425.572 7.068 1 0 IKAFRN COc1ccccc1-c1ccc2c(c1)C([C@@H](C)OCCc1ccccc1Cl)=CC(C)(C)N2 ZINC000014968838 563016483 /nfs/dbraw/zinc/01/64/83/563016483.db2.gz LEVDGZJDDWYGIQ-LJQANCHMSA-N 0 0 448.006 7.251 1 0 IKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1csc2ccccc21 ZINC000014970187 563016560 /nfs/dbraw/zinc/01/65/60/563016560.db2.gz GSBXDPQKEHNRQR-MVNQZMKCSA-N 0 0 444.575 6.706 1 0 IKAFRN CCC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)ncn2)s1 ZINC000014974138 563016702 /nfs/dbraw/zinc/01/67/02/563016702.db2.gz VWEPXTQGIQQGHR-UHFFFAOYSA-N 0 0 444.438 5.913 1 0 IKAFRN CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(I)cc2C)c1C ZINC000014974990 563016804 /nfs/dbraw/zinc/01/68/04/563016804.db2.gz SUBJJINLXUSJIE-UHFFFAOYSA-N 0 0 439.337 6.280 1 0 IKAFRN CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c2cccc3OCc2ccccc2)C1(C)C ZINC000014975800 563016908 /nfs/dbraw/zinc/01/69/08/563016908.db2.gz UIFVUGXLVUHXDZ-UHFFFAOYSA-N 0 0 445.603 6.512 1 0 IKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)NN2CCCCC2)nn1-c1ccc(Cl)cc1Cl ZINC000014975681 563016915 /nfs/dbraw/zinc/01/69/15/563016915.db2.gz PLPHADTYPPFRRC-UHFFFAOYSA-N 0 0 446.382 5.026 1 0 IKAFRN CC(C)(C)c1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1 ZINC000014978324 563017159 /nfs/dbraw/zinc/01/71/59/563017159.db2.gz KBABTVTZUXZWHW-UHFFFAOYSA-N 0 0 432.589 5.653 1 0 IKAFRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12 ZINC000014979692 563017465 /nfs/dbraw/zinc/01/74/65/563017465.db2.gz YJVMJUDLMFBYFZ-HZJYTTRNSA-N 0 0 438.656 7.346 1 0 in-vivo IKAFRN COc1ccc([C@@H]2CC(=O)c3c(O)c(C/C=C(\C)CCC=C(C)C)c(O)cc3O2)cc1O ZINC000015122025 563017602 /nfs/dbraw/zinc/01/76/02/563017602.db2.gz FVUVHWPNLPHERN-SICWBLJQSA-N 0 0 438.520 5.754 1 0 IKAFRN COc1cc(O)c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1C/C=C(\C)CCC=C(C)C ZINC000015253913 563017742 /nfs/dbraw/zinc/01/77/42/563017742.db2.gz CZVSHXUUSIQWSO-CECMFTGFSA-N 0 0 438.520 5.754 1 0 IKAFRN COc1ccc(-c2sc3ccc(N4CCOCC4)cc3c2-c2ccc(OC)c(F)c2)cc1 ZINC000015934060 563018384 /nfs/dbraw/zinc/01/83/84/563018384.db2.gz VZRGYXPRIZWMKF-UHFFFAOYSA-N 0 0 449.547 6.228 3 0 IKAFRN Cc1ccc(SC[C@H](C)CN2CC[C@H](NC(=O)OCc3ccccc3)CCC2=O)cc1 ZINC000015935010 563018507 /nfs/dbraw/zinc/01/85/07/563018507.db2.gz PELBSJQVJJZTKP-IFMALSPDSA-N 0 0 440.609 5.031 3 0 IKAFRN CCCCn1c2cc3nc(C(C)C)c(=O)[nH]c3cc2nc1-c1cccc(Br)c1 ZINC000015936799 563018982 /nfs/dbraw/zinc/01/89/82/563018982.db2.gz YYIRHAMRPDFANI-UHFFFAOYSA-N 0 0 439.357 5.626 3 0 IKAFRN CCCCn1c2cc3nc(C(C)C)c(=O)[nH]c3cc2nc1-c1ccc(Cl)c(Cl)c1 ZINC000015936794 563018986 /nfs/dbraw/zinc/01/89/86/563018986.db2.gz AQZCQVKCVBNVSZ-UHFFFAOYSA-N 0 0 429.351 6.170 3 0 IKAFRN Oc1ccc(C[C@H]2CNC(=S)N2CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000015952971 563020429 /nfs/dbraw/zinc/02/04/29/563020429.db2.gz GSRPFJHNIQAGEB-INIZCTEOSA-N 0 0 448.432 5.185 3 0 IKAFRN Cc1ccc(S[C@H](C)C=CNN=C2NN=C(c3ccccc3)[C@H](c3ccccc3)N2)cc1 ZINC000017210766 563021676 /nfs/dbraw/zinc/02/16/76/563021676.db2.gz XVFLOSRILJBFTA-RQTXVRDTSA-N 0 0 441.604 5.188 1 0 IKAFRN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2N=CN2N=C(c4ccco4)N[C@H]32)cc1 ZINC000017252046 563021822 /nfs/dbraw/zinc/02/18/22/563021822.db2.gz GYFMTXCXBKJHRE-DEOSSOPVSA-N 0 0 427.895 5.638 1 0 IKAFRN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cnn(-c3ccc(F)cc3)c2)n1 ZINC000019224490 563022484 /nfs/dbraw/zinc/02/24/84/563022484.db2.gz BOSNPFUJYXJNDI-MHZLTWQESA-N 0 0 437.522 5.344 3 0 IKAFRN CCOC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc1 ZINC000025964816 563027655 /nfs/dbraw/zinc/02/76/55/563027655.db2.gz UWRJJFOQSSAVSQ-UHFFFAOYSA-N 0 0 428.623 6.224 1 0 IKAFRN Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccccc4N)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025976864 563027878 /nfs/dbraw/zinc/02/78/78/563027878.db2.gz PORMMXYUPVOUTC-UHFFFAOYSA-N 0 0 431.486 5.466 1 0 IKAFRN COc1ccccc1Cc1cn(C2CC2)c2c(F)c(-c3cc(C)nc(C)c3)c(F)cc2c1=O ZINC000025976900 563027882 /nfs/dbraw/zinc/02/78/82/563027882.db2.gz BVHMUJZLZZQOKK-UHFFFAOYSA-N 0 0 446.497 5.893 1 0 IKAFRN C[C@H](CCc1ncc[nH]1)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000026002778 563028252 /nfs/dbraw/zinc/02/82/52/563028252.db2.gz AUDPHZXRKNUGBV-WCLKLNPZSA-N 0 0 438.700 7.089 1 0 IKAFRN O=C(c1ccc(Cl)cc1Cl)[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000026007553 563028360 /nfs/dbraw/zinc/02/83/60/563028360.db2.gz SYEUQIGXCDKCFF-GOSISDBHSA-N 0 0 430.118 5.267 1 0 IKAFRN Clc1c(Oc2ccccc2)nc(C(Cl)(Cl)Cl)c(Cl)c1Oc1ccccc1 ZINC000026022188 563028687 /nfs/dbraw/zinc/02/86/87/563028687.db2.gz UYWVFJLYBNAIRK-UHFFFAOYSA-N 0 0 449.548 7.800 1 0 IKAFRN O=C1OCc2c1cc1cc(OCc3ccc(-c4ccccc4)cn3)ccc1c2-c1ccccc1 ZINC000026179101 563029541 /nfs/dbraw/zinc/02/95/41/563029541.db2.gz NCUCIXBWINDTQE-UHFFFAOYSA-N 0 0 443.502 6.818 1 0 IKAFRN C=C/C(=C\CC/C(C)=C/CC/C=C(\C)CCC[C@H](C)CC[C@@H]1O[C@@H]1C)CCC=C(C)C ZINC000026176340 563029570 /nfs/dbraw/zinc/02/95/70/563029570.db2.gz SQNGRFWURHATRC-JDLQLBRGSA-N 0 0 426.729 9.672 1 0 IKAFRN O=c1cc(-c2ccccc2-c2ccc3oc(-c4ccccc4)cc(=O)c3c2)oc2ccccc12 ZINC000026182091 563029604 /nfs/dbraw/zinc/02/96/04/563029604.db2.gz COTDICHWVCIXQF-UHFFFAOYSA-N 0 0 442.470 6.900 1 0 IKAFRN CCCc1c(O)c(C(C)=O)ccc1COc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000026269414 563030366 /nfs/dbraw/zinc/03/03/66/563030366.db2.gz KZFUZNAVDUQPHI-ODLFYWEKSA-N 0 0 427.547 5.455 1 0 IKAFRN CCCc1c(OCc2ccc(C=C3SC(=S)NC3=O)cc2)ccc(C(C)=O)c1OC ZINC000026272763 563030439 /nfs/dbraw/zinc/03/04/39/563030439.db2.gz RLDHABCWAOLRBS-NDENLUEZSA-N 0 0 441.574 5.758 1 0 IKAFRN CCCc1c(O)c(C(C)=O)ccc1OCc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000026275205 563030571 /nfs/dbraw/zinc/03/05/71/563030571.db2.gz VADIXBSNCPAXIY-ODLFYWEKSA-N 0 0 427.547 5.455 1 0 IKAFRN CS(=O)(=O)Nc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1-c1ccccc1 ZINC000026287392 563030812 /nfs/dbraw/zinc/03/08/12/563030812.db2.gz LCVPELGCRBZVBZ-UHFFFAOYSA-N 0 0 442.584 5.932 1 0 IKAFRN Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Cl)cc1F ZINC000026290044 563030873 /nfs/dbraw/zinc/03/08/73/563030873.db2.gz WWKUDAJCCSNRRV-UHFFFAOYSA-N 0 0 432.948 5.366 1 0 IKAFRN Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1C(F)(F)F ZINC000026292323 563030904 /nfs/dbraw/zinc/03/09/04/563030904.db2.gz VZTDOZJCXNBUJY-UHFFFAOYSA-N 0 0 448.510 5.592 1 0 IKAFRN Cc1cc(C(=O)Nc2ccccc2Nc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC000026382820 563031453 /nfs/dbraw/zinc/03/14/53/563031453.db2.gz PFKJMKHJAZLOPK-UHFFFAOYSA-N 0 0 436.437 6.195 1 0 IKAFRN Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC000026387689 563031627 /nfs/dbraw/zinc/03/16/27/563031627.db2.gz HTTYFRXIDKJXFB-UHFFFAOYSA-N 0 0 429.320 5.350 1 0 IKAFRN COc1ccc(Cl)c([C@H]2NCCN[C@H]2c2c(Cl)ccc(OC)c2Cl)c1Cl ZINC000026403989 563031918 /nfs/dbraw/zinc/03/19/18/563031918.db2.gz YCTMJLMEPRMYJS-HDICACEKSA-N 0 0 436.166 5.293 1 0 IKAFRN CC(C)(C)n1nnnc1[C@H](c1ccccn1)N(Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000026439038 563031999 /nfs/dbraw/zinc/03/19/99/563031999.db2.gz NUUCIGIMSHFSTN-QHCPKHFHSA-N 0 0 446.986 5.268 3 0 IKAFRN COc1ccc(-c2cc(Sc3ccc(F)cc3F)nnc2-c2ccc(OC)cc2)cc1 ZINC000026472249 563032132 /nfs/dbraw/zinc/03/21/32/563032132.db2.gz BBJOEXOQIPHFGP-UHFFFAOYSA-N 0 0 436.483 6.257 1 0 IKAFRN C=C1N=C(COCCC)C(C(=O)OCC)[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OC ZINC000026479033 563032239 /nfs/dbraw/zinc/03/22/39/563032239.db2.gz SZGWCYIBVYEMFM-BJMRFWQKSA-N 0 0 442.339 5.211 1 0 IKAFRN CN(C)C(=O)Oc1ccc2c(c1)oc(=O)c(Cc1ccccc1)c2CCc1ccccc1 ZINC000026483694 563032351 /nfs/dbraw/zinc/03/23/51/563032351.db2.gz ZTRUMTSKUMBLQU-UHFFFAOYSA-N 0 0 427.500 5.229 1 0 IKAFRN COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)c2c1OC1(CCCC1)C2 ZINC000026567355 563033187 /nfs/dbraw/zinc/03/31/87/563033187.db2.gz KWSQCXSDPNEXCF-IFMALSPDSA-N 0 0 448.607 5.794 1 0 IKAFRN COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OC1CCCC1 ZINC000026574105 563033525 /nfs/dbraw/zinc/03/35/25/563033525.db2.gz VQMKXNJTGPRWCC-PKTZIBPZSA-N 0 0 436.596 5.868 1 0 IKAFRN CNc1ccc(-c2nc(-c3ccc(/C=C/C(=O)OC)cc3)[nH]c2-c2ccc(NC)cc2)cc1 ZINC000026578085 563034007 /nfs/dbraw/zinc/03/40/07/563034007.db2.gz NBXDMVCGWGZXET-UBKPWBPPSA-N 0 0 438.531 5.680 1 0 IKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C/C(=N\O)C4=C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000026579612 563034200 /nfs/dbraw/zinc/03/42/00/563034200.db2.gz RXVIHDNLTKWAIL-JWSKLSCLSA-N 0 0 431.661 5.800 1 0 IKAFRN COc1cc(Cl)c(C[C@@H](C)[C@@H](C)Cc2cc(OC)c(OC)cc2Cl)cc1OC ZINC000026636889 563034272 /nfs/dbraw/zinc/03/42/72/563034272.db2.gz BHDBYDHCGFKVOL-OKILXGFUSA-N 0 0 427.368 6.085 1 0 IKAFRN CCCCCCC(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000026649918 563034581 /nfs/dbraw/zinc/03/45/81/563034581.db2.gz VFLAAOKDPAWLGL-UHFFFAOYSA-N 0 0 449.378 5.274 1 0 IKAFRN Clc1ccc([C@H](c2c[nH]cc2-c2ccc(-c3ccccc3)cc2)n2ccnc2)c(Cl)c1 ZINC000026653359 563034714 /nfs/dbraw/zinc/03/47/14/563034714.db2.gz GGBXYXPRVQOMBV-AREMUKBSSA-N 0 0 444.365 7.490 1 0 IKAFRN COc1ccc2cc(CC(=O)OCC[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)ccc2c1 ZINC000026665209 563035204 /nfs/dbraw/zinc/03/52/04/563035204.db2.gz PRZWDAPJKQMRJP-MUUNZHRXSA-N 0 0 448.559 5.739 1 0 IKAFRN CCCCNC(=O)N[C@H](CCc1ccccc1)CP(=O)(OCCCC)OCCCC ZINC000026671884 563035396 /nfs/dbraw/zinc/03/53/96/563035396.db2.gz VYDWPOHNZDGHMN-JOCHJYFZSA-N 0 0 440.565 5.914 1 0 IKAFRN CCCCOC(=O)N[C@@H](CCc1ccccc1)CP(=O)(OCCCC)OCCCC ZINC000026721035 563035627 /nfs/dbraw/zinc/03/56/27/563035627.db2.gz TZVGRCGOKJTIDT-QFIPXVFZSA-N 0 0 441.549 6.341 1 0 IKAFRN COC(=O)[C@H]1CCC[C@@H](Nc2n[nH]c3cccc(OCc4ccc(Cl)c(Cl)c4)c32)C1 ZINC000026718775 563035535 /nfs/dbraw/zinc/03/55/35/563035535.db2.gz PLSWPGCYLNQKDB-LSDHHAIUSA-N 0 0 448.350 5.592 1 0 IKAFRN CCCCNC(=O)O[C@H](CCc1ccccc1)CP(=O)(OCCCC)OCCCC ZINC000026721659 563035664 /nfs/dbraw/zinc/03/56/64/563035664.db2.gz CXLUCURZFMHRRN-JOCHJYFZSA-N 0 0 441.549 6.341 1 0 IKAFRN c1ccc([C@H](CCc2nn[nH]n2)Cc2cccc(OCc3ccc4ccccc4n3)c2)cc1 ZINC000026722643 563035718 /nfs/dbraw/zinc/03/57/18/563035718.db2.gz MONJECLHXLONHX-HSZRJFAPSA-N 0 0 435.531 5.286 1 0 IKAFRN CCOC(=O)[C@@H]1CCCN(Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026731116 563035937 /nfs/dbraw/zinc/03/59/37/563035937.db2.gz OYUQYRJYOXLEBN-HXUWFJFHSA-N 0 0 449.595 5.215 1 0 IKAFRN CCCCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc21 ZINC000026732644 563035961 /nfs/dbraw/zinc/03/59/61/563035961.db2.gz CKUMNNZMISUIQZ-UHFFFAOYSA-N 0 0 441.955 5.966 1 0 IKAFRN CCOC(=O)CCCC[C@@]1(Cc2ccncc2)c2ccccc2N(c2ccccc2)C1=O ZINC000026730706 563035968 /nfs/dbraw/zinc/03/59/68/563035968.db2.gz YARJONMFCOLLPW-HHHXNRCGSA-N 0 0 428.532 5.364 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000026733403 563036008 /nfs/dbraw/zinc/03/60/08/563036008.db2.gz BSKMJNXZPYXHPO-UHFFFAOYSA-N 0 0 445.173 7.348 1 0 IKAFRN CCCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc21 ZINC000026733493 563036018 /nfs/dbraw/zinc/03/60/18/563036018.db2.gz QTYWTQHCPSOERT-UHFFFAOYSA-N 0 0 427.928 5.576 1 0 IKAFRN CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C(C(F)(F)F)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000026843078 563037647 /nfs/dbraw/zinc/03/76/47/563037647.db2.gz VEYYQTYTWHFDDG-SUNSNLEWSA-N 0 0 439.562 5.982 1 0 IKAFRN COC(=O)Cc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000026948193 563038076 /nfs/dbraw/zinc/03/80/76/563038076.db2.gz LXRIEWPKWUPJFP-AOYPEHQESA-N 0 0 431.507 5.268 1 0 IKAFRN CN(C)C(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000026953364 563038168 /nfs/dbraw/zinc/03/81/68/563038168.db2.gz TXJCSVPVPOVNIL-UHFFFAOYSA-N 0 0 435.980 5.732 1 0 IKAFRN COC(=O)Cc1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000026955583 563038175 /nfs/dbraw/zinc/03/81/75/563038175.db2.gz KGXORSYQQWGACD-UHFFFAOYSA-N 0 0 436.964 5.746 1 0 IKAFRN O=S1(=O)N=C(OCc2ccc(Cl)cc2)c2ccccc2N1Cc1ccc(Cl)cc1 ZINC000026973824 563038424 /nfs/dbraw/zinc/03/84/24/563038424.db2.gz IUNHDPGWAZWXJK-UHFFFAOYSA-N 0 0 447.343 5.222 1 0 IKAFRN CC(C)NC(=O)c1cc(/C=C/c2ccc(Cl)c(F)c2)ccc1-c1ccc(Cl)cc1 ZINC000026971879 563038437 /nfs/dbraw/zinc/03/84/37/563038437.db2.gz JNMDWHHKISZDEC-ONEGZZNKSA-N 0 0 428.334 7.108 1 0 IKAFRN CN1c2ccc(Cl)cc2C(c2ccc(O)cc2)=N[C@H](Cc2ccc3ncccc3c2)C1=O ZINC000026992176 563038772 /nfs/dbraw/zinc/03/87/72/563038772.db2.gz JCIMSGXWWHXMAQ-HSZRJFAPSA-N 0 0 441.918 5.019 1 0 IKAFRN CN1c2ccc(Cl)cc2C(c2ccc(O)cc2)=N[C@@H](Cc2ccc3ncccc3c2)C1=O ZINC000026992182 563038823 /nfs/dbraw/zinc/03/88/23/563038823.db2.gz JCIMSGXWWHXMAQ-QHCPKHFHSA-N 0 0 441.918 5.019 1 0 IKAFRN CC(=O)[C@@]12O[C@](C)(c3ccco3)O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000026997711 563038873 /nfs/dbraw/zinc/03/88/73/563038873.db2.gz PDWGBWJIJZYLQQ-QRUFFITGSA-N 0 0 438.564 5.337 1 0 IKAFRN CN1c2ccc(Cl)cc2C(c2ccc(O)cc2)=N[C@@H](Cc2cc3ccccc3cn2)C1=O ZINC000026995035 563038882 /nfs/dbraw/zinc/03/88/82/563038882.db2.gz RRPVKASMRNRRPE-QHCPKHFHSA-N 0 0 441.918 5.019 1 0 IKAFRN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2nc3ccc(Br)cc3c(O)c21 ZINC000027083263 563039074 /nfs/dbraw/zinc/03/90/74/563039074.db2.gz WAPOIPROUMDYAZ-LLVKDONJSA-N 0 0 436.227 5.222 1 0 IKAFRN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2nc3ccc(Br)cc3c(O)c21 ZINC000027083258 563039115 /nfs/dbraw/zinc/03/91/15/563039115.db2.gz WAPOIPROUMDYAZ-NSHDSACASA-N 0 0 436.227 5.222 1 0 IKAFRN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2nc3ccc(C(F)(F)F)cc3c(O)c21 ZINC000027085633 563039234 /nfs/dbraw/zinc/03/92/34/563039234.db2.gz KNGMTLZITVIIMX-LLVKDONJSA-N 0 0 425.328 5.478 1 0 IKAFRN C[C@@H]1C(=O)c2c(O)c3cc(Cl)ccc3nc2C[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027100681 563039653 /nfs/dbraw/zinc/03/96/53/563039653.db2.gz GLVDIYUPUBKYMC-CABZTGNLSA-N 0 0 440.248 6.012 1 0 IKAFRN CN1CC[C@@](O)(c2ccc(Cl)cc2Cl)[C@@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000027110152 563040081 /nfs/dbraw/zinc/04/00/81/563040081.db2.gz OVHJBARWJMLZJX-AYOQOUSVSA-N 0 0 435.178 5.173 1 0 IKAFRN COc1ccc([C@@H]2[C@H](CCCCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000027196298 563040506 /nfs/dbraw/zinc/04/05/06/563040506.db2.gz XMDJYCRVBXAIKG-RRPNLBNLSA-N 0 0 429.560 6.211 1 0 IKAFRN COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1CC1CC1 ZINC000027195493 563040507 /nfs/dbraw/zinc/04/05/07/563040507.db2.gz FCUBYXTWVKQIQR-UHFFFAOYSA-N 0 0 445.788 6.170 1 0 IKAFRN CCCOc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000027196134 563040512 /nfs/dbraw/zinc/04/05/12/563040512.db2.gz OXEDBZACYFVQMR-KAYWLYCHSA-N 0 0 429.560 6.211 1 0 IKAFRN CCN(CC)c1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000027196098 563040540 /nfs/dbraw/zinc/04/05/40/563040540.db2.gz DXZGWJVDBLJCDZ-VSGBNLITSA-N 0 0 442.603 6.268 1 0 IKAFRN COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc2n1CCCC2 ZINC000027202112 563040596 /nfs/dbraw/zinc/04/05/96/563040596.db2.gz OJFFBUZMVOTYGQ-UHFFFAOYSA-N 0 0 445.788 6.096 1 0 IKAFRN CC[C@]1(CCCc2ccccc2)C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000027199550 563040633 /nfs/dbraw/zinc/04/06/33/563040633.db2.gz QRPQBHVWHYGQDD-IXCJQBJRSA-N 0 0 429.560 6.211 1 0 IKAFRN COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc2n1CCC2 ZINC000027206464 563040815 /nfs/dbraw/zinc/04/08/15/563040815.db2.gz KNRJCPYPHIBVAV-UHFFFAOYSA-N 0 0 431.761 5.706 1 0 IKAFRN CC(=O)c1cc(C)c(N2C(=O)NCc3nc(Sc4ccc(F)cc4)ccc32)c(Cl)c1 ZINC000027320604 563041555 /nfs/dbraw/zinc/04/15/55/563041555.db2.gz XQIXHDFCFSVXAS-UHFFFAOYSA-N 0 0 441.915 5.898 1 0 IKAFRN CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027330480 563041723 /nfs/dbraw/zinc/04/17/23/563041723.db2.gz XXIKKMLIDXLAIK-RFKFVWFBSA-N 0 0 436.592 6.239 1 0 in-vitro IKAFRN COc1ccccc1C(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl ZINC000027332478 563041759 /nfs/dbraw/zinc/04/17/59/563041759.db2.gz VVYGRGAIZRYWBZ-UHFFFAOYSA-N 0 0 439.302 5.568 1 0 IKAFRN Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3ccccc3F)nc2n1 ZINC000027412671 563041981 /nfs/dbraw/zinc/04/19/81/563041981.db2.gz MHQCIIVKNUASTJ-UHFFFAOYSA-N 0 0 427.266 5.698 1 0 IKAFRN Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)c(Cl)c2)n2ccnc2)cc1Cl ZINC000027420385 563042015 /nfs/dbraw/zinc/04/20/15/563042015.db2.gz KEGZFTOUDFMRBB-HXUWFJFHSA-N 0 0 437.157 7.130 1 0 IKAFRN Cc1cc(C)n(CCCCCC[S@](=O)c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1 ZINC000027426425 563042159 /nfs/dbraw/zinc/04/21/59/563042159.db2.gz TVSPJKIQOPZAPE-JGCGQSQUSA-N 0 0 446.620 5.925 1 0 IKAFRN CC1(C)C[C@@]2(C)Cc3cc(-c4cccnc4)oc(=O)c3C[C@@H]2[C@@]2(C)CC[C@H](OC=O)C[C@H]12 ZINC000027430052 563042282 /nfs/dbraw/zinc/04/22/82/563042282.db2.gz SKIAHFIRQMLLQH-BAZNJNBMSA-N 0 0 435.564 5.201 1 0 IKAFRN CCC[C@@]1(CCc2ccccc2)C=c2oc(=O)c([C@H](CC)c3ccccc3)c(O)c2=CC1 ZINC000027436284 563042365 /nfs/dbraw/zinc/04/23/65/563042365.db2.gz CJXXEMIEEYSUCT-BTYSJIOQSA-N 0 0 428.572 5.271 1 0 IKAFRN O=C1CC[C@]2(c3ccc(Cl)c(Cl)c3)O[C@H](CSc3ccc(Cl)cc3)CN12 ZINC000027522423 563042828 /nfs/dbraw/zinc/04/28/28/563042828.db2.gz WTAWRIIXBWIHCT-IFXJQAMLSA-N 0 0 428.768 5.613 1 0 IKAFRN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)Nc1ccc(SC(F)(F)F)cc1 ZINC000027519135 563042594 /nfs/dbraw/zinc/04/25/94/563042594.db2.gz WIYAEICQHSZXKB-UHFFFAOYSA-N 0 0 431.411 6.344 1 0 IKAFRN CCOP(=O)(OCC)C(C[C@@H]1Cc2ccccc2C1=O)P(=O)(OCC)OCC ZINC000027519159 563042598 /nfs/dbraw/zinc/04/25/98/563042598.db2.gz GMPMFNCBLNRJEM-INIZCTEOSA-N 0 0 432.390 5.290 1 0 IKAFRN CCOP(=O)(OCC)C(C[C@H]1Cc2ccccc2C1=O)P(=O)(OCC)OCC ZINC000027519160 563042615 /nfs/dbraw/zinc/04/26/15/563042615.db2.gz GMPMFNCBLNRJEM-MRXNPFEDSA-N 0 0 432.390 5.290 1 0 IKAFRN O=C(Nc1nc(-c2cccs2)cs1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027519900 563042664 /nfs/dbraw/zinc/04/26/64/563042664.db2.gz PBAVKKUMNXUDMV-UHFFFAOYSA-N 0 0 437.390 6.553 1 0 IKAFRN Cc1ccccc1NC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1 ZINC000027520459 563042669 /nfs/dbraw/zinc/04/26/69/563042669.db2.gz ZSOKLUCBKIGJIM-UHFFFAOYSA-N 0 0 436.437 6.511 1 0 IKAFRN O=C1CC[C@]2(c3ccc(Cl)c(C(F)(F)F)c3)O[C@@H](COc3ccc(Cl)cc3)CN12 ZINC000027520797 563042731 /nfs/dbraw/zinc/04/27/31/563042731.db2.gz MVXNAACNAFCYIA-DNVCBOLYSA-N 0 0 446.252 5.265 1 0 IKAFRN COc1ccc(C(=O)c2oc3cc(-c4ccccc4)cc(O)c3c2C)c(C(F)(F)F)c1 ZINC000027523278 563042900 /nfs/dbraw/zinc/04/29/00/563042900.db2.gz HSUAPKVXHSLOSV-UHFFFAOYSA-N 0 0 426.390 6.372 1 0 IKAFRN C=C1N=C(c2ccccc2)C(C(=O)OCC)[C@H](/C=C/c2ccccc2OC)C1C(=O)OCC ZINC000027523207 563042929 /nfs/dbraw/zinc/04/29/29/563042929.db2.gz OGMGJMNDWROISI-JLZMEPDQSA-N 0 0 447.531 5.580 1 0 IKAFRN CCOc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)c2ccccc12 ZINC000027524273 563043028 /nfs/dbraw/zinc/04/30/28/563043028.db2.gz HJRHYYHTTKMKLG-UHFFFAOYSA-N 0 0 442.563 6.674 1 0 IKAFRN Cc1cc(CCCCCOc2c(Cl)cc(-c3ccc(Cl)s3)cc2Cl)on1 ZINC000027524668 563043116 /nfs/dbraw/zinc/04/31/16/563043116.db2.gz VCRVAXWDABJACW-UHFFFAOYSA-N 0 0 430.784 7.464 1 0 IKAFRN C=C1N=C(c2ccc(OC)cc2)C(C(=O)OCC)[C@H](/C=C/c2ccccc2)C1C(=O)OCC ZINC000027525529 563043143 /nfs/dbraw/zinc/04/31/43/563043143.db2.gz CFWJOMHDLLNRDC-NKFDLHOLSA-N 0 0 447.531 5.580 1 0 IKAFRN COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(Cl)cc3)cc2C1 ZINC000027525554 563043147 /nfs/dbraw/zinc/04/31/47/563043147.db2.gz QEEDOZCUASXVAK-QFIPXVFZSA-N 0 0 448.950 5.699 1 0 IKAFRN C[S@@](=O)c1ccc(O)c(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1 ZINC000027525662 563043264 /nfs/dbraw/zinc/04/32/64/563043264.db2.gz PLFOYPGRPXGVAE-PMERELPUSA-N 0 0 439.537 5.013 1 0 IKAFRN CO/C=C(/C(=O)OC)c1ccccc1/C=C/c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000027636342 563044921 /nfs/dbraw/zinc/04/49/21/563044921.db2.gz UMLUDKYXYVDMKZ-POQLEOJZSA-N 0 0 428.406 6.296 1 0 IKAFRN C=C/C(=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C)CCC=C(C)C ZINC000027639558 563044983 /nfs/dbraw/zinc/04/49/83/563044983.db2.gz ATMHMBRPCUZUGJ-CBYAGMDCSA-N 0 0 438.740 9.982 1 0 IKAFRN CC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1CC[C@H]1C[C@@H](O)CC(=O)O1 ZINC000027710073 563045524 /nfs/dbraw/zinc/04/55/24/563045524.db2.gz QVBVQHTXLPNXEY-YADHBBJMSA-N 0 0 433.523 5.677 1 0 in-vitro IKAFRN CC(C)c1nc(C2CCCCC2)cc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000027708139 563045528 /nfs/dbraw/zinc/04/55/28/563045528.db2.gz HBGOTWCUTKTDHB-ITWZMISCSA-N 0 0 437.555 6.139 1 0 IKAFRN O[C@H](CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccnc1 ZINC000027718314 563045756 /nfs/dbraw/zinc/04/57/56/563045756.db2.gz VWNHIXVNJUPJSK-AREMUKBSSA-N 0 0 433.502 5.176 1 0 IKAFRN CCCOc1cccc(OCCC)c1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 ZINC000027724171 563045905 /nfs/dbraw/zinc/04/59/05/563045905.db2.gz RYGNZEQECYUPSL-UHFFFAOYSA-N 0 0 446.978 7.642 1 0 IKAFRN CCCCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 ZINC000027729050 563046137 /nfs/dbraw/zinc/04/61/37/563046137.db2.gz ODJAAXUMRRFNRJ-UHFFFAOYSA-N 0 0 430.979 8.023 1 0 IKAFRN Cc1ccc([C@@H](O)CCCN2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000027730814 563046139 /nfs/dbraw/zinc/04/61/39/563046139.db2.gz LCXSZEFSNFTEGI-NDEPHWFRSA-N 0 0 446.541 6.089 1 0 IKAFRN CCOP(=O)(OCC)[C@H](CCCCCCOc1ccc(OC)cc1Cl)C(C)=O ZINC000027747877 563046731 /nfs/dbraw/zinc/04/67/31/563046731.db2.gz CHPSTQOVOUSELB-HXUWFJFHSA-N 0 0 434.897 5.902 1 0 IKAFRN O=C(CCCCN1Cc2c3cc(F)ccc3n(-c3ccc(F)cc3)c2C1)c1ccc(F)cc1 ZINC000027751752 563046838 /nfs/dbraw/zinc/04/68/38/563046838.db2.gz WLHDIEWVYLBRDT-UHFFFAOYSA-N 0 0 448.488 6.417 1 0 IKAFRN C[C@H](CCCC(C)(C)Cl)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000027761384 563046905 /nfs/dbraw/zinc/04/69/05/563046905.db2.gz WAOSKUCCBSOAKI-JUBHIPIGSA-N 0 0 447.147 8.450 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)O[C@H](c1ccccc1)c1ccccn1 ZINC000027762855 563046987 /nfs/dbraw/zinc/04/69/87/563046987.db2.gz HJYXABFFPORLOH-HHHXNRCGSA-N 0 0 430.548 5.990 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@@H]2C3=CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000027763527 563047037 /nfs/dbraw/zinc/04/70/37/563047037.db2.gz RZLZHALRFKMVTR-WRCUDOPPSA-N 0 0 428.701 6.916 1 0 IKAFRN COc1ccc2c(c1)c(C=C1SC(=S)NC1=O)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000027767533 563047083 /nfs/dbraw/zinc/04/70/83/563047083.db2.gz NONZXVKOKYALDR-VCHYOVAHSA-N 0 0 442.949 5.629 1 0 IKAFRN O[C@H](CCCN1Cc2c3cc(F)ccc3n(-c3ccc(F)cc3)c2C1)c1ccc(F)cc1 ZINC000027768263 563047128 /nfs/dbraw/zinc/04/71/28/563047128.db2.gz MDAGIYDZFPGBEP-AREMUKBSSA-N 0 0 436.477 5.877 1 0 IKAFRN C[C@@H](CCl)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000027843004 563047210 /nfs/dbraw/zinc/04/72/10/563047210.db2.gz NJQRLAIAHVMIHX-YNEHNDDZSA-N 0 0 447.147 8.308 1 0 IKAFRN COc1ccc([C@@H]2[C@@H](CC[P@](=O)(OC)c3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000027874165 563047768 /nfs/dbraw/zinc/04/77/68/563047768.db2.gz HHRWQJXVKZNJGH-GQIGMWPISA-N 0 0 435.460 5.039 1 0 IKAFRN CCC(CC)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 ZINC000027899036 563048253 /nfs/dbraw/zinc/04/82/53/563048253.db2.gz YNAMVFSBFMILIU-MLKWKJRISA-N 0 0 446.628 5.366 1 0 IKAFRN O=C(N(c1ccccc1)c1ccccc1)N(c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000027985671 563048777 /nfs/dbraw/zinc/04/87/77/563048777.db2.gz CWWQJLSOWDZXLM-UHFFFAOYSA-N 0 0 434.326 7.485 1 0 IKAFRN COc1cc2nccc(Oc3ccc(Nc4cccc(-c5ccccc5)c4)cc3)c2cc1OC ZINC000028000834 563049252 /nfs/dbraw/zinc/04/92/52/563049252.db2.gz VFKPRDPHVLFEKY-UHFFFAOYSA-N 0 0 448.522 7.455 1 0 IKAFRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000028002588 563049293 /nfs/dbraw/zinc/04/92/93/563049293.db2.gz NTWLPZMPTFQYQI-FHZOBXGASA-N 0 0 442.728 7.141 1 0 IKAFRN CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC[C@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000028004121 563049382 /nfs/dbraw/zinc/04/93/82/563049382.db2.gz OZANSKSORLVFAY-VACDNRJCSA-N 0 0 442.728 7.141 1 0 IKAFRN O=C(Oc1ccccc1)N1CCN([C@@H]2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 ZINC000028005764 563049439 /nfs/dbraw/zinc/04/94/39/563049439.db2.gz BNYFULICRAJPCR-XMMPIXPASA-N 0 0 431.923 5.125 1 0 IKAFRN COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000028062019 563050097 /nfs/dbraw/zinc/05/00/97/563050097.db2.gz BSZCGYIMLQWMNM-XMMPIXPASA-N 0 0 445.975 6.828 1 0 IKAFRN Cc1cc(C)c2nc(C(C)C)n([C@H]3CCc4cc(-c5ccccc5-c5nn[nH]n5)ccc43)c2n1 ZINC000028105848 563050721 /nfs/dbraw/zinc/05/07/21/563050721.db2.gz HIAQXCKTDNPVSH-QHCPKHFHSA-N 0 0 449.562 5.554 1 0 IKAFRN Cn1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000028120604 563051040 /nfs/dbraw/zinc/05/10/40/563051040.db2.gz BTDIHKGECPRTAF-UHFFFAOYSA-N 0 0 428.363 6.123 1 0 IKAFRN FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN1CC=CCC1 ZINC000028123354 563051123 /nfs/dbraw/zinc/05/11/23/563051123.db2.gz SERWOVULUSIEME-UHFFFAOYSA-N 0 0 442.721 6.628 1 0 IKAFRN C[C@]1(C2CCCC2)Cc2cc(-c3ccc(-c4nn[nH]n4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028130237 563051365 /nfs/dbraw/zinc/05/13/65/563051365.db2.gz LPJALUBFUZQUKN-JOCHJYFZSA-N 0 0 427.335 5.776 1 0 IKAFRN CCCN1C(=O)c2ccccc2[C@@]1(NC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000028131975 563051379 /nfs/dbraw/zinc/05/13/79/563051379.db2.gz MEIUKHKAHGJIIJ-MUUNZHRXSA-N 0 0 426.560 5.481 1 0 IKAFRN C[C@]12CC[C@@]34C[C@@]35CCC(=O)C(C)(C)[C@H]5CC[C@H]4[C@]1(C)CC(=O)[C@H]2[C@]1(C)CCC(=O)O1 ZINC000028133721 563051462 /nfs/dbraw/zinc/05/14/62/563051462.db2.gz GKSVQWYECDVFIR-AXXNSCPNSA-N 0 0 426.597 5.269 1 0 IKAFRN COc1ccc([C@H](c2ccc3ccccc3c2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028219022 563051594 /nfs/dbraw/zinc/05/15/94/563051594.db2.gz CHWFVHOGGFETFZ-AREMUKBSSA-N 0 0 426.512 5.923 1 0 IKAFRN O=[S@](c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1)C(F)(F)C(F)F ZINC000028218789 563051662 /nfs/dbraw/zinc/05/16/62/563051662.db2.gz KGFGIKFUJPWIRS-MHZLTWQESA-N 0 0 437.245 6.016 1 0 IKAFRN COc1ccc2c(c1)OC[C@H]1c3cc(O)c(OCc4ccc5ccccc5c4)cc3O[C@@H]21 ZINC000028234426 563051922 /nfs/dbraw/zinc/05/19/22/563051922.db2.gz OAAGGNKGWAQYDG-CUNXSJBXSA-N 0 0 426.468 5.743 1 0 IKAFRN Cc1cc(C(=O)Nc2ccc(-n3ccnc3C)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028233983 563051934 /nfs/dbraw/zinc/05/19/34/563051934.db2.gz QNZWMYOSWTXTBZ-UHFFFAOYSA-N 0 0 441.922 5.734 1 0 IKAFRN O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@@H]1Cc1c[nH]c2ccccc12 ZINC000028241001 563052090 /nfs/dbraw/zinc/05/20/90/563052090.db2.gz RULZFDZJCKUUEH-JOCHJYFZSA-N 0 0 434.326 5.876 1 0 IKAFRN CCCCCCNC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1C ZINC000028337230 563052779 /nfs/dbraw/zinc/05/27/79/563052779.db2.gz XJBUKBVGKPTQFS-UHFFFAOYSA-N 0 0 430.379 6.371 1 0 IKAFRN CCCCCCC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn32)c1 ZINC000028340578 563052843 /nfs/dbraw/zinc/05/28/43/563052843.db2.gz WMGVRZAMWSXXLS-UHFFFAOYSA-N 0 0 432.549 5.598 1 0 IKAFRN O=C([O-])C[C@@H](c1cnc[nH]1)[N@H+](CCc1cccs1)Cc1ccc(-c2ccccc2)cc1 ZINC000028341093 563052863 /nfs/dbraw/zinc/05/28/63/563052863.db2.gz KPDHBCNLGPTZNC-DEOSSOPVSA-N 0 0 431.561 5.399 1 0 IKAFRN CCN(CC)c1ccc(NC(=O)[C@@]2(C(=O)OCCC(C)C)CCc3ccccc3C2)cc1 ZINC000028354718 563053307 /nfs/dbraw/zinc/05/33/07/563053307.db2.gz ISHBYNKAPWPDEY-HHHXNRCGSA-N 0 0 436.596 5.236 1 0 IKAFRN COc1ccc2c(c1)CC[C@H]([C@@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)Nc1ccccc1)C2 ZINC000028362283 563053552 /nfs/dbraw/zinc/05/35/52/563053552.db2.gz XLXBPYJJAKTAKZ-DJESZUOASA-N 0 0 435.564 5.177 1 0 IKAFRN Cc1cc(NC(=O)c2ccccc2F)ccc1NC(=S)N[C@H](C)c1ccc(F)cc1 ZINC000028363233 563053553 /nfs/dbraw/zinc/05/35/53/563053553.db2.gz HTVPKXUFEKZHIE-OAHLLOKOSA-N 0 0 425.504 5.573 1 0 IKAFRN O=C(COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12)Nc1ccccc1F ZINC000028367445 563053695 /nfs/dbraw/zinc/05/36/95/563053695.db2.gz IZUTZFBXIZQEAK-UHFFFAOYSA-N 0 0 432.426 5.388 1 0 IKAFRN C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccc2ccccc2c1 ZINC000028370023 563053750 /nfs/dbraw/zinc/05/37/50/563053750.db2.gz ARTHTLSULWZBQD-KRWDZBQOSA-N 0 0 443.547 6.279 1 0 IKAFRN CCCCNC(=O)OCCCCCCCCCCCCCCOC(=O)NCCCC ZINC000028369221 563053760 /nfs/dbraw/zinc/05/37/60/563053760.db2.gz ACSIUQUEBMBISB-UHFFFAOYSA-N 0 0 428.658 6.720 1 0 IKAFRN 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ZINC000028529327 563057286 /nfs/dbraw/zinc/05/72/86/563057286.db2.gz PGCQCVULNVSEPK-UHFFFAOYSA-N 0 0 425.912 5.038 1 0 IKAFRN O=c1cc(N2CCOCC2)oc2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc12 ZINC000028529995 563057449 /nfs/dbraw/zinc/05/74/49/563057449.db2.gz QSTWQVWDNZOJBS-UHFFFAOYSA-N 0 0 443.343 5.334 1 0 IKAFRN O=C(Nc1cccc(Br)c1)c1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000028562881 563057661 /nfs/dbraw/zinc/05/76/61/563057661.db2.gz GAYVUAXSKRVCTF-UHFFFAOYSA-N 0 0 442.165 6.056 1 0 IKAFRN O=C(Nc1ccc(C(F)(F)F)nc1)c1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000028563010 563057665 /nfs/dbraw/zinc/05/76/65/563057665.db2.gz CHTHHWKBOMYXBJ-UHFFFAOYSA-N 0 0 432.254 5.707 1 0 IKAFRN O=c1c2nn(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)c2ncn1CC(F)(F)F ZINC000028568455 563058541 /nfs/dbraw/zinc/05/85/41/563058541.db2.gz TZMLQWOKHPFVET-UHFFFAOYSA-N 0 0 439.224 5.118 1 0 IKAFRN CCOc1ccc(-n2c(C)c3c(c2C)c(N[C@H]2CCCc4ccccc42)nnc3C)cc1 ZINC000028569196 563058722 /nfs/dbraw/zinc/05/87/22/563058722.db2.gz XKQYDHIRBXOJDH-DEOSSOPVSA-N 0 0 426.564 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CCCC(=O)Nc1ccc2nc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@@H]34)ccc2c1 ZINC000028571516 563059281 /nfs/dbraw/zinc/05/92/81/563059281.db2.gz LMVCJVAQGNCMEQ-CZCAORCASA-N 0 0 446.591 5.991 1 0 IKAFRN CCOC(=O)C(C)=Cc1ccc2[nH]c(-c3cccc(-c4ccc(C(C)(C)C)cc4)n3)nc2c1 ZINC000028571338 563059306 /nfs/dbraw/zinc/05/93/06/563059306.db2.gz RVQKZTWCOQANMP-FBMGVBCBSA-N 0 0 439.559 6.556 1 0 IKAFRN COc1ccc(NCCNC(=O)C2(Oc3ccc(-c4ccccc4)cc3)CCCCC2)cc1 ZINC000028571435 563059314 /nfs/dbraw/zinc/05/93/14/563059314.db2.gz MKYNFYPCLKTPIZ-UHFFFAOYSA-N 0 0 444.575 5.672 1 0 IKAFRN Cn1cnc(NCc2cccc3ncccc23)c1-c1nnc(Nc2ccc(Cl)cc2)o1 ZINC000028571771 563059396 /nfs/dbraw/zinc/05/93/96/563059396.db2.gz FKYWSZYVHGDUPF-UHFFFAOYSA-N 0 0 431.887 5.027 1 0 IKAFRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(N)=O)cc1 ZINC000028572451 563059544 /nfs/dbraw/zinc/05/95/44/563059544.db2.gz AQURBJRSVBARCP-MSOLQXFVSA-N 0 0 431.483 5.338 1 0 IKAFRN CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@H]6O[C@@]5(CCC6(C)C)CC[C@]43C)[C@@]2(C)C(=O)C1=O ZINC000028639042 563059964 /nfs/dbraw/zinc/05/99/64/563059964.db2.gz OATIBLKUQFPDQZ-GQUPYTAZSA-N 0 0 438.652 6.297 1 0 IKAFRN C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@H]1[C@@]3(C)CC[C@@]4(C)C[C@@H](O)C(C)(C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000028642934 563060578 /nfs/dbraw/zinc/06/05/78/563060578.db2.gz VLNRAGRUEHHINT-ZLUWBMNHSA-N 0 0 442.728 7.428 1 0 IKAFRN O=C(NCc1cccc(Cl)c1)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F ZINC000028645304 563060671 /nfs/dbraw/zinc/06/06/71/563060671.db2.gz GGZNILKDWVQZEY-UHFFFAOYSA-N 0 0 441.240 5.476 1 0 IKAFRN C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=CCF)[C@H](O)C3)CCC[C@]21C ZINC000028645553 563060695 /nfs/dbraw/zinc/06/06/95/563060695.db2.gz NPQPAYRGQQTLEO-IIAQXGCLSA-N 0 0 448.663 6.044 1 0 IKAFRN C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=CCO)[C@H](O)C3)CCC[C@]21C ZINC000028645574 563060773 /nfs/dbraw/zinc/06/07/73/563060773.db2.gz 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563061687 /nfs/dbraw/zinc/06/16/87/563061687.db2.gz QEUYKZFRAGXCJT-UHFFFAOYSA-N 0 0 442.325 6.259 1 0 IKAFRN COCCNc1cccn2c1nc(-c1ccc(F)cc1)c2-c1ccnc(NC2CCCC2)n1 ZINC000028703257 563061701 /nfs/dbraw/zinc/06/17/01/563061701.db2.gz SXLDLEPYDDYCTE-UHFFFAOYSA-N 0 0 446.530 5.010 1 0 IKAFRN Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccco1)CCN(C1CCCCC1)C2=O ZINC000028706532 563062004 /nfs/dbraw/zinc/06/20/04/563062004.db2.gz UTGGHWRFKOFSKZ-UHFFFAOYSA-N 0 0 443.374 6.684 1 0 IKAFRN CN(C)C(=O)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F ZINC000028710976 563062698 /nfs/dbraw/zinc/06/26/98/563062698.db2.gz MGDXFZFVPIFVLI-UHFFFAOYSA-N 0 0 427.401 5.010 1 0 IKAFRN Cc1ccc2c(c1)N(c1ccc(NCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 ZINC000028711898 563062751 /nfs/dbraw/zinc/06/27/51/563062751.db2.gz MQYVWGMOEQXUEZ-UHFFFAOYSA-N 0 0 442.567 5.818 1 0 IKAFRN Clc1ccc2c(c1)N(Cl)[C@H](c1c[nH]c3ccc(Br)cc31)[C@@H]1CCO[C@H]21 ZINC000028760505 563063685 /nfs/dbraw/zinc/06/36/85/563063685.db2.gz BJQIFBZEVLVUEQ-FASAQXTFSA-N 0 0 438.152 6.377 1 0 IKAFRN CCCN1CN(CCC)[C@@H](c2c(Cl)cccc2Cl)[C@@H]1c1c(Cl)cccc1Cl ZINC000028764576 563064029 /nfs/dbraw/zinc/06/40/29/563064029.db2.gz FZNLXQHMPCCBTH-SFTDATJTSA-N 0 0 446.249 7.478 1 0 IKAFRN COc1ccc(CC[C@@H]2CO[C@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028768634 563064219 /nfs/dbraw/zinc/06/42/19/563064219.db2.gz FKNBVWMLDHPIHH-KNQAVFIVSA-N 0 0 433.335 5.100 1 0 IKAFRN Cc1[nH]c2ccccc2c1C[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000028820770 563065196 /nfs/dbraw/zinc/06/51/96/563065196.db2.gz KLRIXSJSSBRQBS-SNVBAGLBSA-N 0 0 431.772 5.346 1 0 IKAFRN C[C@H](Cc1cn(C)c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000028820764 563065224 /nfs/dbraw/zinc/06/52/24/563065224.db2.gz VHXBLNZGDORDLV-LLVKDONJSA-N 0 0 431.772 5.048 1 0 IKAFRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c(C(C)C)c1 ZINC000028820694 563065278 /nfs/dbraw/zinc/06/52/78/563065278.db2.gz FBTRYXIBCVQSAZ-IBGZPJMESA-N 0 0 440.653 6.448 1 0 IKAFRN O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1nc2ccccc2n1CCc1ccncc1 ZINC000028822081 563065529 /nfs/dbraw/zinc/06/55/29/563065529.db2.gz JLJQXGIPZWPNBN-UHFFFAOYSA-N 0 0 444.844 5.599 1 0 IKAFRN CC[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@]12C(=O)N([C@@H](C)c1ccccc1)[C@@H]2c1ccccc1 ZINC000028822303 563065634 /nfs/dbraw/zinc/06/56/34/563065634.db2.gz OBSAOZVEZGITLJ-GPFYLZTBSA-N 0 0 427.544 5.229 1 0 IKAFRN CC[C@H]1O[C@H](c2ccccc2)[C@]2(C(=O)N([C@@H](C)c3ccccc3)[C@@H]2c2ccccc2)[C@@H]1O ZINC000028822305 563065664 /nfs/dbraw/zinc/06/56/64/563065664.db2.gz NKUPRKKJSZEXER-HBABHDCGSA-N 0 0 427.544 5.229 1 0 IKAFRN CC[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@]12C(=O)N([C@@H](C)c1ccccc1)[C@H]2c1ccccc1 ZINC000028822306 563065672 /nfs/dbraw/zinc/06/56/72/563065672.db2.gz OBSAOZVEZGITLJ-HUCGCJISSA-N 0 0 427.544 5.229 1 0 IKAFRN CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@@H](C)c3ccccc3)cc2)c1 ZINC000028822761 563065751 /nfs/dbraw/zinc/06/57/51/563065751.db2.gz HLDSMJBDGJWNMP-SFHVURJKSA-N 0 0 439.515 5.382 1 0 IKAFRN CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000028823170 563065895 /nfs/dbraw/zinc/06/58/95/563065895.db2.gz HZSIJLACSNPTDP-CYBMUJFWSA-N 0 0 435.895 5.235 1 0 IKAFRN O=C1OC[C@H]2[C@@H]1Cc1c(F)c(F)ccc1[C@@H]2/C=C/c1ccc(-c2cccc(Cl)c2)cn1 ZINC000028823206 563065935 /nfs/dbraw/zinc/06/59/35/563065935.db2.gz VMWGFDICCUXJAO-WAMAQVDTSA-N 0 0 437.873 5.823 1 0 IKAFRN Oc1cc(Nc2ccnc3cc(-c4cc5ccccc5o4)ccc32)ccc1Br ZINC000028823958 563065955 /nfs/dbraw/zinc/06/59/55/563065955.db2.gz SAPRCZLNSVETMH-UHFFFAOYSA-N 0 0 431.289 6.860 1 0 IKAFRN C[C@@H](C1CCCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823226 563065960 /nfs/dbraw/zinc/06/59/60/563065960.db2.gz SUYIHEGPYVNQBO-HNNXBMFYSA-N 0 0 442.408 5.650 1 0 IKAFRN COc1ccc2cc(-c3nc(-c4ccccc4C(F)(F)F)[nH]c3-c3ccncc3)ccc2c1 ZINC000028824342 563066038 /nfs/dbraw/zinc/06/60/38/563066038.db2.gz JAQFHLFTVXPQLF-UHFFFAOYSA-N 0 0 445.444 6.986 1 0 IKAFRN CC(C)SCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C ZINC000028825344 563066261 /nfs/dbraw/zinc/06/62/61/563066261.db2.gz RCCUSRZZXQUAQP-DTJGCQIESA-N 0 0 446.785 7.954 1 0 in-vivo IKAFRN CC[C@]1(C[C@@](O)(Cc2cc(Cl)nc3ccccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826171 563066419 /nfs/dbraw/zinc/06/64/19/563066419.db2.gz HCXOEHYNUWUKAG-RPWUZVMVSA-N 0 0 447.928 6.799 1 0 IKAFRN CC[C@@]1(C[C@](O)(CNc2cccc3cnccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826242 563066508 /nfs/dbraw/zinc/06/65/08/563066508.db2.gz CNAHGVBTDVLLSD-ZEQRLZLVSA-N 0 0 428.498 6.015 1 0 IKAFRN CC(=O)Nc1cc(C)c(-c2nnc3n2N=C(c2ccccc2)C(c2ccccc2)S3)s1 ZINC000028826933 563066584 /nfs/dbraw/zinc/06/65/84/563066584.db2.gz FEUVVQAFOCJYBF-UHFFFAOYSA-N 0 0 445.573 5.449 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000028862479 563066846 /nfs/dbraw/zinc/06/68/46/563066846.db2.gz KYUGYVXBKPAWOH-LJQANCHMSA-N 0 0 439.276 6.345 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1ccc(C)c2ccccc12)C(F)(F)F ZINC000028862545 563066830 /nfs/dbraw/zinc/06/68/30/563066830.db2.gz KIBFFSPWYJTEGK-DEOSSOPVSA-N 0 0 434.473 6.500 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1ccc(C=O)cc1Cl)C(F)(F)F ZINC000028862493 563066831 /nfs/dbraw/zinc/06/68/31/563066831.db2.gz OTKZWGJLFLAVTD-FQEVSTJZSA-N 0 0 432.841 5.504 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000028862477 563066839 /nfs/dbraw/zinc/06/68/39/563066839.db2.gz KYUGYVXBKPAWOH-IBGZPJMESA-N 0 0 439.276 6.345 1 0 IKAFRN COc1ccc(/C=C/CSc2nc([C@@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000028862969 563067008 /nfs/dbraw/zinc/06/70/08/563067008.db2.gz RPUXUCACLDJRBP-GJBLVYBDSA-N 0 0 428.504 5.322 1 0 IKAFRN CC(C)(C)c1ccc(/C(=C\C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(Cl)cc2)cc1 ZINC000028863821 563067135 /nfs/dbraw/zinc/06/71/35/563067135.db2.gz XUVMOZYPXVGNDU-HAVVHWLPSA-N 0 0 447.962 6.479 1 0 IKAFRN CC(C)(C)c1ccc(/C(=C\C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(F)cc2)cc1 ZINC000028863823 563067149 /nfs/dbraw/zinc/06/71/49/563067149.db2.gz PGEMDGBWQDOKJW-HAVVHWLPSA-N 0 0 431.507 5.965 1 0 IKAFRN CC(C)Cn1cc(CC(N)=O)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21 ZINC000028888365 563068229 /nfs/dbraw/zinc/06/82/29/563068229.db2.gz XQWIESPZRMMFSR-UHFFFAOYSA-N 0 0 442.403 6.030 1 0 IKAFRN CCOc1cccc(-c2ccc3c(c2)c(CC(N)=O)cn3Cc2ccc3ccccc3c2)c1 ZINC000028888270 563068241 /nfs/dbraw/zinc/06/82/41/563068241.db2.gz PJMOSJMPRYYOHZ-UHFFFAOYSA-N 0 0 434.539 5.936 1 0 IKAFRN Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1 ZINC000028890166 563068293 /nfs/dbraw/zinc/06/82/93/563068293.db2.gz FYOXMWPWEHESMZ-UHFFFAOYSA-N 0 0 444.335 5.280 1 0 IKAFRN COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(N(C)C)c3)n2)cc1N(C)C ZINC000028948980 563069287 /nfs/dbraw/zinc/06/92/87/563069287.db2.gz NQTZJTLUVAMSLL-WFYKWJGLSA-N 0 0 429.564 5.572 1 0 IKAFRN COc1ccccc1OC(=O)/C=C/c1ccc(OC/C=C(\C)CCC=C(C)C)c(OC)c1 ZINC000028951181 563069626 /nfs/dbraw/zinc/06/96/26/563069626.db2.gz ISJHBPZEPYYXDY-BKKRHBAOSA-N 0 0 436.548 6.394 1 0 IKAFRN CC(C)Cc1cccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c1F ZINC000028952570 563069830 /nfs/dbraw/zinc/06/98/30/563069830.db2.gz AVFAUXPMMSGRCW-UHFFFAOYSA-N 0 0 447.539 5.934 1 0 IKAFRN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952522 563069843 /nfs/dbraw/zinc/06/98/43/563069843.db2.gz BQJRTJCODBMYEY-UHFFFAOYSA-N 0 0 441.438 5.615 1 0 IKAFRN O=C(Nc1nc(-c2cccc(Cl)c2Cl)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952579 563069853 /nfs/dbraw/zinc/06/98/53/563069853.db2.gz OTZPGMOTVARESS-UHFFFAOYSA-N 0 0 442.331 5.903 1 0 IKAFRN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952619 563069860 /nfs/dbraw/zinc/06/98/60/563069860.db2.gz DIMMAFCTMAWZAJ-UHFFFAOYSA-N 0 0 442.331 5.903 1 0 IKAFRN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)ns1)c1ccc(Nc2ccncn2)cc1 ZINC000028953158 563069901 /nfs/dbraw/zinc/06/99/01/563069901.db2.gz YGKYJAZXSUKXJM-UHFFFAOYSA-N 0 0 443.319 5.298 1 0 IKAFRN Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cccc(C(F)(F)F)c2Cl)n1CC1CC1 ZINC000028954356 563069987 /nfs/dbraw/zinc/06/99/87/563069987.db2.gz JOWJAJGVWYEJGH-BWAHOGKJSA-N 0 0 430.923 5.979 1 0 IKAFRN CCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)cc(C)n2)nc1CC ZINC000028956479 563070339 /nfs/dbraw/zinc/07/03/39/563070339.db2.gz VVEXSQRBCQXPAV-UKILVPOCSA-N 0 0 446.595 5.910 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@H]1CCc2ccc(Cl)cc2[C@@H]1Cc1ccccc1 ZINC000028959251 563070610 /nfs/dbraw/zinc/07/06/10/563070610.db2.gz NFFVSJUMRUCIOC-AHWVRZQESA-N 0 0 441.962 6.351 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@H]1CCc2c(Cl)cccc2[C@H]1Cc1ccccc1 ZINC000028959210 563070612 /nfs/dbraw/zinc/07/06/12/563070612.db2.gz IGLYWXHZBJDYEO-BVAGGSTKSA-N 0 0 441.962 6.351 1 0 IKAFRN COc1ccc2c(c1)CC[C@@H](NC(=O)Nc1cccc3cnccc31)[C@@H]2Cc1ccccc1 ZINC000028959141 563070623 /nfs/dbraw/zinc/07/06/23/563070623.db2.gz HLMMYNCSAQLMGG-XNMGPUDCSA-N 0 0 437.543 5.706 1 0 IKAFRN O=C(NC[C@H](Cc1ccccc1)c1ccc(C(F)(F)F)cc1)Nc1cccc2cnccc21 ZINC000028958837 563070625 /nfs/dbraw/zinc/07/06/25/563070625.db2.gz JNOVEKDKIDETGJ-NRFANRHFSA-N 0 0 449.476 6.402 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@@H]1CCc2cc(F)ccc2[C@H]1Cc1ccccc1 ZINC000028959185 563070634 /nfs/dbraw/zinc/07/06/34/563070634.db2.gz FXFUGZJVGIYTPJ-AOYPEHQESA-N 0 0 425.507 5.837 1 0 IKAFRN O=C(Nc1ccccc1)c1c(-c2ccccc2)n(Cc2ccccc2)c2nc3ccccc3n21 ZINC000028968366 563071052 /nfs/dbraw/zinc/07/10/52/563071052.db2.gz DLFMEDQRKKSUAR-UHFFFAOYSA-N 0 0 442.522 6.257 1 0 IKAFRN Clc1cccc(Cl)c1CSc1nnc(-c2ccsc2)n1Cc1ccccc1 ZINC000028976798 563071497 /nfs/dbraw/zinc/07/14/97/563071497.db2.gz DZWONHCZGUYGSV-UHFFFAOYSA-N 0 0 432.401 6.654 1 0 IKAFRN Clc1ccc(Cl)c(CSc2nnc(-c3ccsc3)n2Cc2ccccc2)c1 ZINC000028976795 563071500 /nfs/dbraw/zinc/07/15/00/563071500.db2.gz AWYXAMVPYIFZFB-UHFFFAOYSA-N 0 0 432.401 6.654 1 0 IKAFRN Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)Oc2ccccc2)cc1 ZINC000029039010 563071892 /nfs/dbraw/zinc/07/18/92/563071892.db2.gz PKKKXJULINTEGW-UHFFFAOYSA-N 0 0 437.499 5.477 1 0 IKAFRN CC(C)=CCC/C(C)=C/COc1cc(O)c(C(C)=O)c2c1C=C[C@](C)(CCC=C(C)C)O2 ZINC000029041974 563072191 /nfs/dbraw/zinc/07/21/91/563072191.db2.gz XSSCFVOPJZDLBW-BSKIJULFSA-N 0 0 438.608 7.577 1 0 IKAFRN Cc1cc(NC(=O)c2ccccc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029042618 563072268 /nfs/dbraw/zinc/07/22/68/563072268.db2.gz VMICWNKZMGAHAQ-UHFFFAOYSA-N 0 0 431.923 5.725 1 0 IKAFRN CCOc1ccc(Cc2nc3cc(SCC)c(Cl)cc3n2CC2CCOCC2)cc1 ZINC000029046968 563072595 /nfs/dbraw/zinc/07/25/95/563072595.db2.gz OEOPNXGQKHRKGK-UHFFFAOYSA-N 0 0 445.028 6.218 1 0 IKAFRN C[C@H](Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1ccc(-n2ccccc2=O)cc1 ZINC000029046805 563072622 /nfs/dbraw/zinc/07/26/22/563072622.db2.gz FUTBNPRVTUARFL-KRWDZBQOSA-N 0 0 444.922 5.311 1 0 IKAFRN Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3o2)cc1 ZINC000029049157 563072867 /nfs/dbraw/zinc/07/28/67/563072867.db2.gz NNYNPWQCTGJVFS-UHFFFAOYSA-N 0 0 426.394 5.840 1 0 IKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4cc(Cl)ccc4Cl)cc3)oc2c(C)c1 ZINC000029048841 563072883 /nfs/dbraw/zinc/07/28/83/563072883.db2.gz ZSJUGCZOUGAKGY-UHFFFAOYSA-N 0 0 441.314 6.436 1 0 IKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4ccc(C(F)(F)F)cc4)cc3)oc2c(C)c1 ZINC000029049602 563072994 /nfs/dbraw/zinc/07/29/94/563072994.db2.gz PSNVVJGNYPKRDN-UHFFFAOYSA-N 0 0 440.421 6.148 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N1CCc2ccccc2C1 ZINC000029054679 563073282 /nfs/dbraw/zinc/07/32/82/563073282.db2.gz UJAQFXNVJNHNFX-AREMUKBSSA-N 0 0 426.604 6.318 1 0 IKAFRN CN(C(=O)/C=C1\c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1)c1ccccc1 ZINC000029058351 563073612 /nfs/dbraw/zinc/07/36/12/563073612.db2.gz CUTFQFIHMMNJBL-XQNSMLJCSA-N 0 0 439.902 5.553 1 0 IKAFRN CCCCc1ccc2c(c1)c(-c1ccccc1)c(C(=O)OC)n(Cc1ccccc1)c2=O ZINC000029063948 563073718 /nfs/dbraw/zinc/07/37/18/563073718.db2.gz SXNMTEIOBFLRRN-UHFFFAOYSA-N 0 0 425.528 5.846 1 0 IKAFRN CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@]1(C)[C@@H]3C[C@H](C[C@@H]1C2)C3(C)C ZINC000029064008 563073885 /nfs/dbraw/zinc/07/38/85/563073885.db2.gz LLBTYKFBTMHFLF-DBSBGELUSA-N 0 0 442.596 5.931 1 0 IKAFRN COc1ccc2c(c1)CCc1ccc(cc1)Oc1cccc(c1)CCc1ccc-2c(OC)c1 ZINC000029124309 563074111 /nfs/dbraw/zinc/07/41/11/563074111.db2.gz GLTFSJARKJFXDI-UHFFFAOYSA-N 0 0 436.551 7.047 1 0 IKAFRN Cn1c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cs/c1=N\c1cccc(F)c1 ZINC000029125256 563074227 /nfs/dbraw/zinc/07/42/27/563074227.db2.gz YTXOWXFDLKTNKK-PNHLSOANSA-N 0 0 433.508 5.432 1 0 IKAFRN O=C1[C@H](O)Cc2c(-c3ccccc3Cl)cc(O)cc2N1c1c(Cl)cccc1Cl ZINC000029125704 563074517 /nfs/dbraw/zinc/07/45/17/563074517.db2.gz LIMUHDUGJOAAIJ-LJQANCHMSA-N 0 0 434.706 5.601 1 0 IKAFRN O=C(Nc1cccc2cccnc21)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000029126191 563074580 /nfs/dbraw/zinc/07/45/80/563074580.db2.gz SIAVSCPYDVMFEZ-UHFFFAOYSA-N 0 0 439.902 5.713 1 0 IKAFRN O=c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)oc2ccc(Br)cc12 ZINC000029128411 563075138 /nfs/dbraw/zinc/07/51/38/563075138.db2.gz OQBVBSJBBRJEOQ-UHFFFAOYSA-N 0 0 437.133 6.260 1 0 IKAFRN COc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2C(=O)c2ccccc2)cc1 ZINC000029128756 563075243 /nfs/dbraw/zinc/07/52/43/563075243.db2.gz JXIMRXCLPHMMNA-NDEPHWFRSA-N 0 0 432.523 6.354 1 0 IKAFRN Cn1nc(N)c2c1cncc2-c1ccc(NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000029129894 563075503 /nfs/dbraw/zinc/07/55/03/563075503.db2.gz BKNCGPOLFDJCQN-UHFFFAOYSA-N 0 0 444.392 5.019 1 0 IKAFRN CSc1ccc([C@H](c2cccs2)c2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000029130624 563075563 /nfs/dbraw/zinc/07/55/63/563075563.db2.gz WDEMFHFUAYYOCX-XMMPIXPASA-N 0 0 425.619 5.361 1 0 IKAFRN CC(C)Cn1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)nc21 ZINC000029130801 563075582 /nfs/dbraw/zinc/07/55/82/563075582.db2.gz SYCOWGUWYABYOT-UHFFFAOYSA-N 0 0 444.489 5.672 1 0 IKAFRN Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N(C)Cc4ccc(Cl)cc4)cc3)c2)o1 ZINC000029131106 563075607 /nfs/dbraw/zinc/07/56/07/563075607.db2.gz FCHPZLSLIWSCQU-UHFFFAOYSA-N 0 0 431.923 5.946 1 0 IKAFRN O=C([O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)c(Cl)c1 ZINC000029131994 563075657 /nfs/dbraw/zinc/07/56/57/563075657.db2.gz IARRSRXBOVXHAU-QFIPXVFZSA-N 0 0 430.331 5.224 1 0 IKAFRN Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2c2ccccc2Cl)cc1 ZINC000029131986 563075705 /nfs/dbraw/zinc/07/57/05/563075705.db2.gz UWCTXTOXYKRDTK-UHFFFAOYSA-N 0 0 431.794 6.663 1 0 IKAFRN O=C([O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1Cl ZINC000029132083 563075729 /nfs/dbraw/zinc/07/57/29/563075729.db2.gz WEIFZOFGEUQELC-QFIPXVFZSA-N 0 0 430.331 5.224 1 0 IKAFRN COc1cccc(NC(=O)c2ccc(C(F)(F)F)nc2Nc2ccc(Cl)cc2C)c1 ZINC000029132026 563075762 /nfs/dbraw/zinc/07/57/62/563075762.db2.gz DNGUUKBDSOKCAV-UHFFFAOYSA-N 0 0 435.833 6.067 1 0 IKAFRN COc1cccc(OC(=O)c2ccc(C(F)(F)F)nc2Nc2cc(Cl)ccc2C)c1 ZINC000029132762 563075797 /nfs/dbraw/zinc/07/57/97/563075797.db2.gz ODKQCNGPDKXKSG-UHFFFAOYSA-N 0 0 436.817 6.034 1 0 IKAFRN CNC(=O)c1cc(Oc2ccc3c(cccc3C(=O)Nc3ccc(Cl)cc3)c2)ccn1 ZINC000029135097 563076128 /nfs/dbraw/zinc/07/61/28/563076128.db2.gz VGVTZKAMZZDXCR-UHFFFAOYSA-N 0 0 431.879 5.292 1 0 IKAFRN COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)n1 ZINC000029135776 563076203 /nfs/dbraw/zinc/07/62/03/563076203.db2.gz VNVAAYMDDHBABB-UHFFFAOYSA-N 0 0 428.444 5.131 1 0 IKAFRN CCOC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1 ZINC000029135663 563076210 /nfs/dbraw/zinc/07/62/10/563076210.db2.gz UIJXGPCJCPYGCE-UHFFFAOYSA-N 0 0 426.472 5.396 1 0 IKAFRN CSc1ccc(/C=C2\CSC[C@@H]3C2=NN(C(C)=O)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000029244843 563077213 /nfs/dbraw/zinc/07/72/13/563077213.db2.gz OXNNTRQWIBIUKJ-JBGHZFILSA-N 0 0 440.659 5.836 1 0 IKAFRN CC[C@@H](c1ccc(O)cc1)[C@H](CCCC(=O)Oc1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000029325492 563077990 /nfs/dbraw/zinc/07/79/90/563077990.db2.gz MSMASXBKGGYKFJ-LOSJGSFVSA-N 0 0 438.951 6.805 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(O)cc2)O[C@H](C)[C@@H](C)O1 ZINC000029337489 563078276 /nfs/dbraw/zinc/07/82/76/563078276.db2.gz BNHLITZQJDEFQG-QZTJIDSGSA-N 0 0 426.557 5.437 1 0 IKAFRN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 ZINC000029339939 563078384 /nfs/dbraw/zinc/07/83/84/563078384.db2.gz CDAPYCBUIZMYOS-UHFFFAOYSA-N 0 0 437.383 6.173 1 0 IKAFRN COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)Cc1cc(C(C)C)oc1C4 ZINC000029347386 563078811 /nfs/dbraw/zinc/07/88/11/563078811.db2.gz KHYWDRNRDPVQEL-JWQCQUIFSA-N 0 0 446.499 5.035 1 0 IKAFRN C[C@H](CCOc1cc(Cl)cc(Cl)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1)CC(C)(C)C ZINC000029404773 563079454 /nfs/dbraw/zinc/07/94/54/563079454.db2.gz JRHOEVICMIEMKV-WRBQKBKASA-N 0 0 429.384 5.914 1 0 IKAFRN COc1ccc(C2=C(c3ccc(SC)cc3)C[C@@H]3CCCN3C2=O)cc1Br ZINC000029406559 563079550 /nfs/dbraw/zinc/07/95/50/563079550.db2.gz FHMJDIMISPNOMD-INIZCTEOSA-N 0 0 444.394 5.485 1 0 IKAFRN COc1ccc(C2=C(c3ccc(SC)cc3)C[C@H]3CCCN3C2=O)cc1Br ZINC000029406562 563079631 /nfs/dbraw/zinc/07/96/31/563079631.db2.gz FHMJDIMISPNOMD-MRXNPFEDSA-N 0 0 444.394 5.485 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2OCc2ccc(Cl)cc2)cc1 ZINC000029408371 563079735 /nfs/dbraw/zinc/07/97/35/563079735.db2.gz PSDLYZMVUZFJOQ-UHFFFAOYSA-N 0 0 441.858 5.403 1 0 IKAFRN O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccc(Cl)cc2)O1 ZINC000029411164 563079791 /nfs/dbraw/zinc/07/97/91/563079791.db2.gz MSLQYFMUGCNWOJ-DOOVEFGSSA-N 0 0 427.711 5.306 1 0 IKAFRN N=c1sc(-c2cc(F)ccc2F)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029410321 563079852 /nfs/dbraw/zinc/07/98/52/563079852.db2.gz MEVMYGQNZVAZMS-UHFFFAOYSA-N 0 0 426.197 5.684 1 0 IKAFRN c1ccc(-c2nc(SCCCCCSCc3ccccn3)[nH]c2-c2ccccc2)cc1 ZINC000029467561 563080355 /nfs/dbraw/zinc/08/03/55/563080355.db2.gz VGGLWMSDWAEWJK-UHFFFAOYSA-N 0 0 445.657 7.335 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)N[C@H](CO)C[C@]4(C)[C@H]3CC[C@]12C ZINC000029471934 563080762 /nfs/dbraw/zinc/08/07/62/563080762.db2.gz HFSRYBKUQYKSPJ-AUINIAOHSA-N 0 0 431.705 6.195 1 0 IKAFRN Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(O)cc2)c1 ZINC000029480867 563081106 /nfs/dbraw/zinc/08/11/06/563081106.db2.gz MHFHKLSHOKXVSH-UHFFFAOYSA-N 0 0 436.920 6.073 1 0 IKAFRN CCCOC(=O)c1nc(C)n2c1CN=C(c1ccccc1Cl)c1cc(Cl)ccc1-2 ZINC000029485178 563081313 /nfs/dbraw/zinc/08/13/13/563081313.db2.gz YTEXAHQBNUXERI-UHFFFAOYSA-N 0 0 428.319 5.405 1 0 IKAFRN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(C(F)(F)F)n2)C([N+](=O)[O-])=C(C)N1 ZINC000029488537 563081494 /nfs/dbraw/zinc/08/14/94/563081494.db2.gz FCNGTHLXNSEDJW-SRIJWZPRSA-N 0 0 447.413 5.196 1 0 IKAFRN COc1cccc(/C(=C\C=C\C(=O)NCCCCc2cccnc2)c2cccc(F)c2)c1 ZINC000029544515 563081672 /nfs/dbraw/zinc/08/16/72/563081672.db2.gz YTWAHMJSTIPNPF-TZDGRNIHSA-N 0 0 430.523 5.356 1 0 IKAFRN O=C(Nc1ccccc1)OCCN1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000029554456 563081976 /nfs/dbraw/zinc/08/19/76/563081976.db2.gz ZIMPKIDLFYMSOY-NOZRDPDXSA-N 0 0 449.501 5.523 1 0 IKAFRN CC(C)(C)c1ccc(S(=O)(=O)n2ccc([C@@H](O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000029564250 563082496 /nfs/dbraw/zinc/08/24/96/563082496.db2.gz QMPJRYMGSCTDQY-HXUWFJFHSA-N 0 0 438.376 5.411 1 0 IKAFRN Cc1cc(SC(F)(F)C(F)F)c(C)cc1NC(=O)NC(=O)c1c(F)cccc1F ZINC000031500159 563083448 /nfs/dbraw/zinc/08/34/48/563083448.db2.gz GHNBZKXBIWTEBO-UHFFFAOYSA-N 0 0 436.377 5.494 1 0 IKAFRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)Nc4nc5ccccc5cc4C[C@@H]32)C1 ZINC000031829662 563083567 /nfs/dbraw/zinc/08/35/67/563083567.db2.gz HVLLZGCXBUCKJF-UAGBHOFDSA-N 0 0 430.592 6.056 1 0 IKAFRN O=C(c1ccccc1)c1ccc2c(c1)nc1n2[C@@H](c2c(Cl)cccc2Cl)SC1 ZINC000031900868 563083778 /nfs/dbraw/zinc/08/37/78/563083778.db2.gz DYYHXKARBMDCQX-JOCHJYFZSA-N 0 0 425.340 6.368 1 0 IKAFRN O=C(C[C@H](Cc1ccccc1)c1ccc(Oc2ccccc2)cc1)Nc1cccc(Cl)c1 ZINC000031908129 563083827 /nfs/dbraw/zinc/08/38/27/563083827.db2.gz AIHFRJGXLLKUKB-QHCPKHFHSA-N 0 0 441.958 7.487 1 0 IKAFRN CCn1c2ccccc2c2cc(NC(=O)CSC(=S)N3CCC(C)CC3)ccc21 ZINC000032692390 563084355 /nfs/dbraw/zinc/08/43/55/563084355.db2.gz PMXFCDTZKKHBTF-UHFFFAOYSA-N 0 0 425.623 5.503 1 0 IKAFRN CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]2CC=C3C(=O)OC[C@@H]3[C@@]12C ZINC000033505258 563084492 /nfs/dbraw/zinc/08/44/92/563084492.db2.gz BTGJLMDMCKFWNM-MGHNXQGFSA-N 0 0 428.613 5.696 1 0 IKAFRN Clc1ccc([C@H](COc2ccc(Br)cc2)Cn2ccnc2)c(Cl)c1 ZINC000033493821 563084505 /nfs/dbraw/zinc/08/45/05/563084505.db2.gz HUFOMRFPRSVNOQ-ZDUSSCGKSA-N 0 0 426.141 5.815 1 0 IKAFRN S=C1N=C(c2ccccc2)N[C@@](Cc2ccccc2)(c2ccccc2)N1c1ccccc1 ZINC000033488837 563084512 /nfs/dbraw/zinc/08/45/12/563084512.db2.gz PTQPGUKBBSDHDW-MUUNZHRXSA-N 0 0 433.580 5.924 1 0 IKAFRN CCc1ccc(-c2nc3cc(NC(=O)Cc4ccc(Br)cc4)ccc3o2)cc1 ZINC000033505485 563084597 /nfs/dbraw/zinc/08/45/97/563084597.db2.gz RDXUQKWELWFAQB-UHFFFAOYSA-N 0 0 435.321 6.001 1 0 IKAFRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000033764565 563084701 /nfs/dbraw/zinc/08/47/01/563084701.db2.gz ZIBHGUFJAOXNSU-ZDUSSCGKSA-N 0 0 427.287 6.208 1 0 IKAFRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000033764566 563084708 /nfs/dbraw/zinc/08/47/08/563084708.db2.gz ZIBHGUFJAOXNSU-CYBMUJFWSA-N 0 0 427.287 6.208 1 0 IKAFRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)Nc4c(cnn4-c4ccccc4)C[C@@H]32)C1 ZINC000033849426 563084875 /nfs/dbraw/zinc/08/48/75/563084875.db2.gz XVVJHYWVIHHEOR-HCQMQIOBSA-N 0 0 445.607 5.693 1 0 IKAFRN CC#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4c(c3)OCO4)C[C@@]21C ZINC000033970497 563085125 /nfs/dbraw/zinc/08/51/25/563085125.db2.gz DFELGYQKEOCHOA-XEDGMNADSA-N 0 0 430.544 5.069 1 0 investigational IKAFRN CCN(C(C)=O)c1ccc(-c2nc3n(c2-c2ccc(N(CC)C(C)=O)cc2)CCS3)cc1 ZINC000034079720 563085438 /nfs/dbraw/zinc/08/54/38/563085438.db2.gz SUGCKVLPUYBGOU-UHFFFAOYSA-N 0 0 448.592 5.068 1 0 IKAFRN CC(C)(C)n1nc(-c2cccc(OCc3c(Cl)cccc3Cl)c2)c2c1ncnc2N ZINC000034047707 563085447 /nfs/dbraw/zinc/08/54/47/563085447.db2.gz BMSUFHWQIJKJFR-UHFFFAOYSA-N 0 0 442.350 5.716 1 0 IKAFRN Cn1c2ccccc2nc1C(=O)COc1ccc(SCCCCCc2ccccc2)cc1 ZINC000034047857 563085473 /nfs/dbraw/zinc/08/54/73/563085473.db2.gz AUSQHSWEQOXDLW-UHFFFAOYSA-N 0 0 444.600 6.340 1 0 IKAFRN COc1ccc2c(c1OC)-c1cc(ccc1O)/C=C\C(=O)O[C@@H]1C[C@@H]2[C@@H]2CCCC[C@H]2C1 ZINC000034073349 563085477 /nfs/dbraw/zinc/08/54/77/563085477.db2.gz FICKEVYMKDEOLD-GBADRQHPSA-N 0 0 434.532 5.699 1 0 IKAFRN COc1ccc(C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)c(OC)c1O ZINC000034106714 563085556 /nfs/dbraw/zinc/08/55/56/563085556.db2.gz DASNMAIRNLIRCK-UHFFFAOYSA-N 0 0 427.283 5.850 1 0 IKAFRN Brc1ccc(-c2nc3n(c2-c2ccc(Br)cc2)CCS3)cc1 ZINC000034079731 563085566 /nfs/dbraw/zinc/08/55/66/563085566.db2.gz WHMACQCATLASAA-UHFFFAOYSA-N 0 0 436.172 5.848 1 0 IKAFRN CCC/C=C(\CCC)[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000034148336 563085666 /nfs/dbraw/zinc/08/56/66/563085666.db2.gz BBGBCWNGGXINIF-AKCCUMBPSA-N 0 0 425.516 6.252 1 0 IKAFRN COc1ccc([C@H]2SCc3c(sc(N)c3C(=O)c3ccc(Cl)cc3)S2)cc1 ZINC000034352389 563086167 /nfs/dbraw/zinc/08/61/67/563086167.db2.gz MTNPHHFAVRMOFO-IBGZPJMESA-N 0 0 434.007 6.261 1 0 IKAFRN CC(F)(F)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O ZINC000034603309 563086474 /nfs/dbraw/zinc/08/64/74/563086474.db2.gz ZMHYLSJQTABXPG-UHFFFAOYSA-N 0 0 436.289 5.500 1 0 IKAFRN O=C(Nc1ccccc1Cl)N(c1ccc(F)cc1)c1ccnc(NC2CCOCC2)n1 ZINC000034661972 563086862 /nfs/dbraw/zinc/08/68/62/563086862.db2.gz XKEDZOVPVFTUBR-UHFFFAOYSA-N 0 0 441.894 5.230 1 0 IKAFRN CCCCc1c(-c2ccccc2Oc2ccccc2)ncn1CCc1ccccc1OC ZINC000034661628 563086898 /nfs/dbraw/zinc/08/68/98/563086898.db2.gz DJTAFCDLBBNLNE-UHFFFAOYSA-N 0 0 426.560 6.936 1 0 IKAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1C1CCCCC1 ZINC000034661878 563086927 /nfs/dbraw/zinc/08/69/27/563086927.db2.gz ZWGZNSHTARTLGP-SANMLTNESA-N 0 0 437.543 5.280 1 0 IKAFRN NC(=O)c1cnn2c1ncc(-c1ccc(OCc3ccccc3)cc1)c2C1CCCCC1 ZINC000034820039 563088045 /nfs/dbraw/zinc/08/80/45/563088045.db2.gz JRABLXLKKVKDNC-UHFFFAOYSA-N 0 0 426.520 5.122 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1C[S@@](C)=O)c1ccccc1 ZINC000034983594 563088597 /nfs/dbraw/zinc/08/85/97/563088597.db2.gz PWWDZABEDRJKJU-UDNBHOFDSA-N 0 0 442.584 5.661 1 0 IKAFRN Cc1nnc(-c2ccc(F)c(-c3c(=O)ccn4c(-c5ccc(F)cc5F)cccc34)c2)o1 ZINC000034984173 563088600 /nfs/dbraw/zinc/08/86/00/563088600.db2.gz ZYKJSUCBSIXJDQ-UHFFFAOYSA-N 0 0 433.389 5.409 1 0 IKAFRN C[S@](=O)c1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000034984443 563088606 /nfs/dbraw/zinc/08/86/06/563088606.db2.gz WJYCRUVWHFDNRS-GPNASLBKSA-N 0 0 440.568 5.520 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1C[S@](C)=O)c1ccccc1 ZINC000034983590 563088619 /nfs/dbraw/zinc/08/86/19/563088619.db2.gz PWWDZABEDRJKJU-JPQMRUPTSA-N 0 0 442.584 5.661 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1[S@@](=O)CC)c1ccccc1 ZINC000034984663 563088720 /nfs/dbraw/zinc/08/87/20/563088720.db2.gz XVTICRLZOUARHF-GHRAFVERSA-N 0 0 442.584 5.910 1 0 IKAFRN Cc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1-c1ccc(C)cc1 ZINC000035002829 563088787 /nfs/dbraw/zinc/08/87/87/563088787.db2.gz RVUISNQSMYQIGW-UHFFFAOYSA-N 0 0 430.533 5.407 1 0 IKAFRN O=C(NCCCCNc1ccnc2cc(Cl)ccc21)c1cccc(Br)c1 ZINC000035190645 563089417 /nfs/dbraw/zinc/08/94/17/563089417.db2.gz NFNDDKFCACOFCT-UHFFFAOYSA-N 0 0 432.749 5.273 1 0 IKAFRN O=C1CS[C@H](c2ccc(Cl)cc2)N1CCCCNc1ccnc2cc(Cl)ccc21 ZINC000035091137 563089422 /nfs/dbraw/zinc/08/94/22/563089422.db2.gz JRDSSJWOMGESCO-JOCHJYFZSA-N 0 0 446.403 6.008 1 0 IKAFRN O=C1CCS[C@@H](c2ccc(Cl)cc2)N1CCCNc1ccnc2cc(Cl)ccc21 ZINC000035091133 563089453 /nfs/dbraw/zinc/08/94/53/563089453.db2.gz NBHUVDNHYBJEMO-QFIPXVFZSA-N 0 0 446.403 6.008 1 0 IKAFRN CCCCCCc1ccc(C(=O)N(C)CCCNc2ccnc3cc(Cl)ccc32)cc1 ZINC000035190773 563089526 /nfs/dbraw/zinc/08/95/26/563089526.db2.gz FUXPUCNSYUDTNR-UHFFFAOYSA-N 0 0 438.015 6.585 1 0 IKAFRN CCCCOc1ccc(C(=O)N(C)CCCNc2ccnc3cc(Cl)ccc32)cc1 ZINC000035190781 563089572 /nfs/dbraw/zinc/08/95/72/563089572.db2.gz LRYMYEAEVBJZKJ-UHFFFAOYSA-N 0 0 425.960 5.641 1 0 IKAFRN COP(=O)(OC)[C@@H](OC(=O)COc1cccc(Cl)c1Cl)c1cccs1 ZINC000035259315 563089604 /nfs/dbraw/zinc/08/96/04/563089604.db2.gz WJDBFDKLRSQIHR-OAHLLOKOSA-N 0 0 425.226 5.162 1 0 IKAFRN COP(=O)(OC)[C@H](OC(=O)COc1cccc(Cl)c1Cl)c1cccs1 ZINC000035259314 563089631 /nfs/dbraw/zinc/08/96/31/563089631.db2.gz WJDBFDKLRSQIHR-HNNXBMFYSA-N 0 0 425.226 5.162 1 0 IKAFRN CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(CN3C(=O)c4ccccc4C3=O)[C@@H]1CC2 ZINC000035270631 563089705 /nfs/dbraw/zinc/08/97/05/563089705.db2.gz ABPHGCRQBGULQL-SAAIGDAKSA-N 0 0 431.576 5.822 1 0 IKAFRN Cc1c(-c2ccc(O)cc2Cl)nc(-c2ccc(O)cc2Cl)n1-c1ccc(O)cc1 ZINC000035323217 563089803 /nfs/dbraw/zinc/08/98/03/563089803.db2.gz JABKBNJXVXFPGA-UHFFFAOYSA-N 0 0 427.287 5.938 1 0 IKAFRN CCCCCCC1=C(Br)/C(=C/Br)N(Cc2ccccc2)C1=O ZINC000035330027 563089909 /nfs/dbraw/zinc/08/99/09/563089909.db2.gz YHNDXFLWFWAKDR-VBKFSLOCSA-N 0 0 427.180 5.885 1 0 IKAFRN CC[C@@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)CC[C@H]1C ZINC000035801373 563089915 /nfs/dbraw/zinc/08/99/15/563089915.db2.gz YDGOHTBOOYAVOP-AQORABJHSA-N 0 0 439.596 6.328 1 0 IKAFRN COc1c2c(c(O)cc1C)[C@@]1(C)CC[C@H]3[C@](C)(CC[C@H]4C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]1C2 ZINC000035849190 563090062 /nfs/dbraw/zinc/09/00/62/563090062.db2.gz PCJLFCANHKSKCL-XVDIEDCOSA-N 0 0 426.641 6.153 1 0 IKAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CCCc2ccccc21 ZINC000035849209 563090077 /nfs/dbraw/zinc/09/00/77/563090077.db2.gz BLHBKMAJQLLUEL-UHFFFAOYSA-N 0 0 427.426 6.314 1 0 IKAFRN CC1(C)C[C@@H](NC(=S)Nc2ccc(Cl)cc2)c2cc(Br)ccc2O1 ZINC000035879309 563090241 /nfs/dbraw/zinc/09/02/41/563090241.db2.gz XGJJLDUNEIOCCW-OAHLLOKOSA-N 0 0 425.779 5.691 1 0 IKAFRN CC1(C)C[C@H](NC(=S)Nc2ccc(Cl)cc2)c2cc(Br)ccc2O1 ZINC000035879308 563090299 /nfs/dbraw/zinc/09/02/99/563090299.db2.gz XGJJLDUNEIOCCW-HNNXBMFYSA-N 0 0 425.779 5.691 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccsc2)cc1 ZINC000036126955 563091150 /nfs/dbraw/zinc/09/11/50/563091150.db2.gz WTYHOUONCCIPGQ-UHFFFAOYSA-N 0 0 431.991 6.263 1 0 IKAFRN O=C(OCc1ccccc1)N1CCC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036161003 563091496 /nfs/dbraw/zinc/09/14/96/563091496.db2.gz UYVDUABRTLJGMQ-VWLOTQADSA-N 0 0 441.506 6.357 1 0 IKAFRN CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=C([N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000036188537 563091866 /nfs/dbraw/zinc/09/18/66/563091866.db2.gz CIVNKRZMTRFCKS-YTUIUPOLSA-N 0 0 428.617 5.981 1 0 IKAFRN CCCCCN(C(=O)CC)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036189660 563091910 /nfs/dbraw/zinc/09/19/10/563091910.db2.gz IGDIQMAESGWESP-JJZABJOQSA-N 0 0 430.677 5.647 1 0 IKAFRN CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000036294970 563092644 /nfs/dbraw/zinc/09/26/44/563092644.db2.gz UNBKHVKAEFBHAN-ZRYFUDBVSA-N 0 0 446.716 5.966 1 0 in-vivo IKAFRN Cc1c(/C=C/C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000036294801 563092648 /nfs/dbraw/zinc/09/26/48/563092648.db2.gz UMOLSRBHNLXWGD-NTUHNPAUSA-N 0 0 445.821 8.401 1 0 IKAFRN NC(=O)N[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324257 563092740 /nfs/dbraw/zinc/09/27/40/563092740.db2.gz VGUKDVJSFQFTIS-SQNIBIBYSA-N 0 0 446.391 5.224 1 0 IKAFRN NC(=O)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324325 563092774 /nfs/dbraw/zinc/09/27/74/563092774.db2.gz NNBAOMPIMXODPQ-SQNIBIBYSA-N 0 0 431.376 5.289 1 0 IKAFRN CC(=O)CCCCC[C@H](NC(=O)c1cncs1)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000036338711 563093007 /nfs/dbraw/zinc/09/30/07/563093007.db2.gz INQWAYKHLAYNIY-QFIPXVFZSA-N 0 0 449.576 5.087 1 0 IKAFRN Cc1ccc(-c2cnc3ccccc3n2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1 ZINC000036348588 563093010 /nfs/dbraw/zinc/09/30/10/563093010.db2.gz KVYYSUPOTZCZAO-UHFFFAOYSA-N 0 0 429.487 5.478 1 0 IKAFRN CN(c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1)C1CCCC1 ZINC000036351770 563093426 /nfs/dbraw/zinc/09/34/26/563093426.db2.gz KBHLPVBYLGCCML-UHFFFAOYSA-N 0 0 441.497 6.204 1 0 IKAFRN COc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1SC1CCCCC1 ZINC000036382294 563093888 /nfs/dbraw/zinc/09/38/88/563093888.db2.gz OEVBFLHEMMCZCN-UHFFFAOYSA-N 0 0 435.637 7.179 3 0 IKAFRN CCCCCCSc1cc(-c2nc3ccc(Cl)cn3c2NCCCC)ccc1OC ZINC000036382342 563093921 /nfs/dbraw/zinc/09/39/21/563093921.db2.gz LCTWOFKRFCXMHT-UHFFFAOYSA-N 0 0 446.060 7.548 3 0 IKAFRN COc1ccc(-c2ccc(-c3nc4ccc(C)cn4c3NC3CCCCC3)cc2OC)cc1 ZINC000036382357 563093935 /nfs/dbraw/zinc/09/39/35/563093935.db2.gz OVZZCXMWIOUISW-UHFFFAOYSA-N 0 0 441.575 6.739 3 0 IKAFRN Clc1ccc2nc(-c3cccc(SC4CCCCC4)c3)c(NCc3ccccc3)n2c1 ZINC000036382339 563093943 /nfs/dbraw/zinc/09/39/43/563093943.db2.gz KAZPEESZOQNROH-UHFFFAOYSA-N 0 0 448.035 7.692 3 0 IKAFRN COc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@@H](C(C)(C)C)CCC2=O)cc1 ZINC000036383047 563094201 /nfs/dbraw/zinc/09/42/01/563094201.db2.gz PTGSFYAIRRNZPK-VXKWHMMOSA-N 0 0 425.638 6.073 3 0 IKAFRN C[C@@]12C(=O)Nc3ccc(Cl)cc3C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036387246 563094658 /nfs/dbraw/zinc/09/46/58/563094658.db2.gz GHYZYEWFTIVWLF-WVIBYCHQSA-N 0 0 444.918 5.040 3 0 IKAFRN COc1ccc(-c2ccc(F)cc2)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036387935 563094710 /nfs/dbraw/zinc/09/47/10/563094710.db2.gz LJUDQBSVMGSVLY-ULURIGIWSA-N 0 0 441.546 6.413 1 0 IKAFRN C[C@]12C[C@@]3(CC1=O)CC[C@H]1[C@](C)(C(=O)Nc4ccc(Cl)cc4)CCC[C@@]1(C)[C@H]3CC2 ZINC000036387895 563094727 /nfs/dbraw/zinc/09/47/27/563094727.db2.gz RXOFZYKGYHUSJG-DWUAMQTRSA-N 0 0 428.016 6.651 3 0 IKAFRN COc1ccc(-c2ccc(C)cc2)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000036388165 563094789 /nfs/dbraw/zinc/09/47/89/563094789.db2.gz CTLHQYKQJVVDCO-NCRQKIDHSA-N 0 0 437.583 6.583 1 0 IKAFRN Cc1ccc(-c2cc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000036388469 563094857 /nfs/dbraw/zinc/09/48/57/563094857.db2.gz KQNOSVLASOFLIV-BUAQGSAMSA-N 0 0 425.547 6.857 1 0 IKAFRN COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(Br)ccc3n2C)c1 ZINC000036388820 563094873 /nfs/dbraw/zinc/09/48/73/563094873.db2.gz GQOJJNQOEQLVGA-UHFFFAOYSA-N 0 0 428.351 6.354 3 0 IKAFRN COc1cccc(-c2ncc3ccccc3c2COC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000036388736 563094889 /nfs/dbraw/zinc/09/48/89/563094889.db2.gz CWHJYJPYILNUMT-UHFFFAOYSA-N 0 0 437.417 6.286 3 0 IKAFRN CC(=O)O[C@H]1[C@@H](CCCCCC/C=C\CCCCCCC2=C[C@H](C)OC2=O)C(=O)O[C@H]1C ZINC000036403646 563095162 /nfs/dbraw/zinc/09/51/62/563095162.db2.gz JAZPVWPONHPJPL-BMKIOVFASA-N 0 0 448.600 5.589 1 0 IKAFRN CC(=O)OC/C=C(\COC(C)=O)[C@@H](C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21)OC(C)=O ZINC000036445394 563095304 /nfs/dbraw/zinc/09/53/04/563095304.db2.gz ZQFHWCWAPUVGOS-LKYLEVJKSA-N 0 0 448.600 5.160 1 0 IKAFRN Cc1oc(C(C)(C)C)cc1C(=O)C(=O)Nc1ccc(Nc2ncccn2)c2ccccc12 ZINC000036479134 563095497 /nfs/dbraw/zinc/09/54/97/563095497.db2.gz JCVLTUDGIJDHLP-UHFFFAOYSA-N 0 0 428.492 5.394 1 0 IKAFRN Cc1nc2c(=O)n(Cc3ccccc3)nc(C3CCCC3)c2c2cc(-c3ccccc3)nn21 ZINC000036476691 563095537 /nfs/dbraw/zinc/09/55/37/563095537.db2.gz LINQZOSIMFQLHW-UHFFFAOYSA-N 0 0 435.531 5.121 1 0 IKAFRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(N)ncc2c1 ZINC000036758604 563095760 /nfs/dbraw/zinc/09/57/60/563095760.db2.gz DXLSIJUGUJXUIP-UHFFFAOYSA-N 0 0 436.437 5.767 1 0 IKAFRN C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=CCF)[C@H](O)C3)CCC[C@@]21C ZINC000037865535 563095859 /nfs/dbraw/zinc/09/58/59/563095859.db2.gz NPQPAYRGQQTLEO-SLZMQRRESA-N 0 0 448.663 6.044 1 0 IKAFRN O=C(Nc1ccc2[nH]c(-c3cnn(-c4ccc(F)cc4)c3)nc2c1)c1ccccc1Cl ZINC000038147889 563096447 /nfs/dbraw/zinc/09/64/47/563096447.db2.gz PEUHOGMONYOJND-UHFFFAOYSA-N 0 0 431.858 5.460 1 0 IKAFRN COc1cc2c(cc1OC)Oc1ncnc(Sc3cccc(Br)c3)c1NC2 ZINC000038149517 563096465 /nfs/dbraw/zinc/09/64/65/563096465.db2.gz HNHXWUPOJFGKIK-UHFFFAOYSA-N 0 0 446.326 5.125 1 0 IKAFRN Cc1cc(=O)c(-c2nnc(Nc3cccc(C(F)(F)F)c3)o2)nn1-c1ccccc1Cl ZINC000038250116 563097265 /nfs/dbraw/zinc/09/72/65/563097265.db2.gz TVCZLJCLFGPSFK-UHFFFAOYSA-N 0 0 447.804 5.007 1 0 IKAFRN Clc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1 ZINC000038347604 563097528 /nfs/dbraw/zinc/09/75/28/563097528.db2.gz IYIPPDAHNXLMCW-UHFFFAOYSA-N 0 0 448.751 7.308 1 0 IKAFRN COc1ccc(Cn2c(SCc3ccc(C(F)(F)F)cc3)nnc2-c2ccco2)cc1 ZINC000038360119 563097606 /nfs/dbraw/zinc/09/76/06/563097606.db2.gz GZAJFLNDFVVHMM-UHFFFAOYSA-N 0 0 445.466 5.906 1 0 IKAFRN O=S(=O)(c1cn([C@@H]2CCCN(Cc3ccccc3)C2)c2ccccc12)c1ccccc1 ZINC000038428545 563097630 /nfs/dbraw/zinc/09/76/30/563097630.db2.gz FHULGORNODYESR-JOCHJYFZSA-N 0 0 430.573 5.311 1 0 IKAFRN FC(F)(F)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc32)nc1 ZINC000038412671 563097717 /nfs/dbraw/zinc/09/77/17/563097717.db2.gz PTKLUWQABAPTOX-UHFFFAOYSA-N 0 0 435.331 5.868 1 0 IKAFRN O=c1ccn(CCCCCCCCCCn2ccc(=O)c3ccccc32)c2ccccc12 ZINC000038560241 563097978 /nfs/dbraw/zinc/09/79/78/563097978.db2.gz FREREHUYTIRPOQ-UHFFFAOYSA-N 0 0 428.576 6.137 1 0 IKAFRN CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](c1ccccc1)CC2(C)C)c1ccc(C)cc1 ZINC000038800894 563098336 /nfs/dbraw/zinc/09/83/36/563098336.db2.gz QDXRZFVLYYUMGO-QHCPKHFHSA-N 0 0 444.623 6.237 1 0 IKAFRN C/C=C1/CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1Cc1nccc2c3cc(O)ccc3[nH]c21 ZINC000038841133 563098436 /nfs/dbraw/zinc/09/84/36/563098436.db2.gz UXVNNVWPICKMTE-JKCZZUPASA-N 0 0 448.570 6.011 1 0 IKAFRN CC(C)c1[nH+]ccc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CC[C@H]1CC(=O)[O-] ZINC000038840231 563098480 /nfs/dbraw/zinc/09/84/80/563098480.db2.gz DUBMQSMUGSQPDR-LBPRGKRZSA-N 0 0 435.376 6.580 1 0 IKAFRN CCOC(=O)CC(=O)Nc1cc(Cl)c(Oc2ccc(O)c(C(C)C)c2)c(Cl)c1 ZINC000038877619 563098538 /nfs/dbraw/zinc/09/85/38/563098538.db2.gz IFBORVUWFNZCBB-UHFFFAOYSA-N 0 0 426.296 5.506 1 0 IKAFRN O=C(O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000039233050 563098870 /nfs/dbraw/zinc/09/88/70/563098870.db2.gz GTJGKVOCMBQPQR-QGZVFWFLSA-N 0 0 430.118 6.095 1 0 IKAFRN C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000039213583 563098883 /nfs/dbraw/zinc/09/88/83/563098883.db2.gz FSLPMRQHCOLESF-ACUMZOKISA-N 0 0 426.729 8.025 1 0 biogenic,in-vitro IKAFRN COC(=O)[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242716 563098971 /nfs/dbraw/zinc/09/89/71/563098971.db2.gz XJBIPCISFMFUJC-HXUWFJFHSA-N 0 0 436.813 6.444 1 0 IKAFRN COC(=O)[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242717 563099005 /nfs/dbraw/zinc/09/90/05/563099005.db2.gz XJBIPCISFMFUJC-FQEVSTJZSA-N 0 0 436.813 6.444 1 0 IKAFRN Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc(Cl)cc3)O2)cc1 ZINC000039396934 563099209 /nfs/dbraw/zinc/09/92/09/563099209.db2.gz ZNMLLEJYHQBEFI-RBBKRZOGSA-N 0 0 449.403 5.727 1 0 IKAFRN O=c1c2ccccc2nc(/C=C/c2cccc(Cl)c2)n1-c1nnc(-c2ccccc2)s1 ZINC000040393099 563100091 /nfs/dbraw/zinc/10/00/91/563100091.db2.gz UFILRSHXDDYPDO-BUHFOSPRSA-N 0 0 442.931 5.728 1 0 IKAFRN CC(C)c1cc(Nc2cccc(C(F)(F)F)c2F)ncc1C(=O)NCC1CCOCC1 ZINC000040392988 563100109 /nfs/dbraw/zinc/10/01/09/563100109.db2.gz CNBNNBHPCJWJQU-UHFFFAOYSA-N 0 0 439.453 5.263 1 0 IKAFRN CCCNC(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(Cl)cccc43)c2)c1 ZINC000040393008 563100111 /nfs/dbraw/zinc/10/01/11/563100111.db2.gz MEBPCMPPKTYENX-UHFFFAOYSA-N 0 0 430.935 6.796 1 0 IKAFRN O=C(Nc1ccccc1)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1 ZINC000040393519 563100178 /nfs/dbraw/zinc/10/01/78/563100178.db2.gz UEQYPAJZNPNGHX-UHFFFAOYSA-N 0 0 429.422 6.103 1 0 IKAFRN CCOC(=O)[C@@H](Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)c1ccccc1 ZINC000040393645 563100287 /nfs/dbraw/zinc/10/02/87/563100287.db2.gz BSULAJVIYMOMRF-FQEVSTJZSA-N 0 0 427.957 5.887 1 0 IKAFRN CC1(C)CC[C@]23CO[C@@]4(C=C[C@H]5[C@@](C)(CC[C@H]6C(C)(C)[C@@H](O)CC[C@]56C)[C@]4(C)CC2)[C@@H]3C1 ZINC000040393981 563100385 /nfs/dbraw/zinc/10/03/85/563100385.db2.gz PEPQVVOREKNGEQ-QQXHKFGQSA-N 0 0 440.712 7.158 1 0 IKAFRN O=C1C[C@@H](C(F)(F)F)Cc2nc3ccc(Br)cc3c(-c3ccccc3F)c21 ZINC000040394826 563100572 /nfs/dbraw/zinc/10/05/72/563100572.db2.gz UURHTAMPZQOKHY-JTQLQIEISA-N 0 0 438.218 6.111 1 0 IKAFRN Cc1[nH]cc(Br)c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000040394911 563100609 /nfs/dbraw/zinc/10/06/09/563100609.db2.gz AYBODMSCXPWVOR-UHFFFAOYSA-N 0 0 440.215 5.804 1 0 IKAFRN Cc1cc(C)c(C(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000040395316 563100751 /nfs/dbraw/zinc/10/07/51/563100751.db2.gz WBSPXZAXSGSDBX-UHFFFAOYSA-N 0 0 433.379 5.087 1 0 IKAFRN CCOc1ccc(-c2nnc3c(/C=C/c4ccc(Cl)cc4)nc4ccccc4n23)cc1O ZINC000040395623 563100844 /nfs/dbraw/zinc/10/08/44/563100844.db2.gz QEWZXKRKMQTYDC-UKTHLTGXSA-N 0 0 442.906 5.873 1 0 IKAFRN N=C1SC(=Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C(=O)N1c1nccs1 ZINC000040409319 563101597 /nfs/dbraw/zinc/10/15/97/563101597.db2.gz MOYCCKOAOIRRAG-AQEWOIMGSA-N 0 0 429.530 5.256 1 0 IKAFRN O=C(Oc1ccccc1)c1nnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040409192 563101617 /nfs/dbraw/zinc/10/16/17/563101617.db2.gz DKSBLGUZCPJSMK-UHFFFAOYSA-N 0 0 444.705 6.114 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)c(OC)c1 ZINC000040409212 563101640 /nfs/dbraw/zinc/10/16/40/563101640.db2.gz VNIXBNUUGFHGQG-ZKWNWVNESA-N 0 0 425.613 7.485 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1ccccc1C(=O)OC ZINC000040410603 563101699 /nfs/dbraw/zinc/10/16/99/563101699.db2.gz GAXYXQSOUSMSGI-JOCHJYFZSA-N 0 0 444.575 6.158 1 0 IKAFRN O=C(Nc1cncnc1)c1c2onc(Nc3ccc(OC(F)(F)F)cc3)c2ccc1Cl ZINC000040411501 563101822 /nfs/dbraw/zinc/10/18/22/563101822.db2.gz ZFOJPTHLTODBOQ-UHFFFAOYSA-N 0 0 449.776 5.166 1 0 IKAFRN Cc1c(C(=O)NCCOc2ccc(Cl)cc2)cnc2c(-c3ccc(C(C)C)cc3)cnn21 ZINC000040422420 563102398 /nfs/dbraw/zinc/10/23/98/563102398.db2.gz UDPLOYMVEYOVLV-UHFFFAOYSA-N 0 0 448.954 5.290 1 0 IKAFRN CCc1ccccc1C(=O)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 ZINC000040422860 563102508 /nfs/dbraw/zinc/10/25/08/563102508.db2.gz VOFYNVHKDAYHLU-UHFFFAOYSA-N 0 0 427.972 5.273 1 0 IKAFRN O=c1[nH]c(=S)[nH]c(-c2ccc(C(F)(F)F)cc2)c1Cc1c(O)ccc2ccccc21 ZINC000040423285 563102593 /nfs/dbraw/zinc/10/25/93/563102593.db2.gz HKCBVKRQQPQECL-UHFFFAOYSA-N 0 0 428.435 5.568 1 0 IKAFRN O=C(NC1CCCCC1)N1CCN([C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1 ZINC000040423512 563102704 /nfs/dbraw/zinc/10/27/04/563102704.db2.gz PKRBTURWWKDDGX-QHCPKHFHSA-N 0 0 446.422 5.743 1 0 IKAFRN O=C(NC1CCCCC1)N1CCN([C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1 ZINC000040423511 563102706 /nfs/dbraw/zinc/10/27/06/563102706.db2.gz PKRBTURWWKDDGX-HSZRJFAPSA-N 0 0 446.422 5.743 1 0 IKAFRN FC(F)(F)c1ccc(-n2cc(-c3ccccc3NCc3ccncc3)nn2)cc1Cl ZINC000040423881 563102749 /nfs/dbraw/zinc/10/27/49/563102749.db2.gz CLPYYDKRPOBAJO-UHFFFAOYSA-N 0 0 429.833 5.614 1 0 IKAFRN Fc1cc(Cl)ccc1Cn1nc2c(cccc2C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000040423905 563102802 /nfs/dbraw/zinc/10/28/02/563102802.db2.gz KXXPROPFBQVDKT-UHFFFAOYSA-N 0 0 439.239 7.216 1 0 IKAFRN O=C1CS[C@@H](c2c(Br)cccc2Br)N1Cc1cccs1 ZINC000040424058 563102886 /nfs/dbraw/zinc/10/28/86/563102886.db2.gz SZIANFCRAWCVBM-AWEZNQCLSA-N 0 0 433.190 5.047 1 0 IKAFRN COC(=O)c1ccc(NCc2cncn2Cc2ccccc2Cl)cc1-c1ccccc1 ZINC000040424455 563102953 /nfs/dbraw/zinc/10/29/53/563102953.db2.gz GGWQTDSZAORLGI-UHFFFAOYSA-N 0 0 431.923 5.651 1 0 IKAFRN CC(=O)Nc1cccc2c(Oc3cncc(Nc4cccc(-c5cnco5)c4)n3)cccc12 ZINC000040424738 563102963 /nfs/dbraw/zinc/10/29/63/563102963.db2.gz IAHKIERABNTWLV-UHFFFAOYSA-N 0 0 437.459 5.779 1 0 IKAFRN CCCc1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)o1 ZINC000040425145 563103048 /nfs/dbraw/zinc/10/30/48/563103048.db2.gz OAJMQRGCJCQPPH-UHFFFAOYSA-N 0 0 447.753 6.810 1 0 IKAFRN COc1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC)c1OC ZINC000040429350 563103137 /nfs/dbraw/zinc/10/31/37/563103137.db2.gz GILAFTMRNSJCHY-FNORWQNLSA-N 0 0 449.347 5.402 1 0 IKAFRN c1ccc(CCc2cc(CCc3ccccc3)nc(NCc3cccc4ccccc43)n2)cc1 ZINC000040430796 563103488 /nfs/dbraw/zinc/10/34/88/563103488.db2.gz KXZKHOTUYYYMGP-UHFFFAOYSA-N 0 0 443.594 6.812 1 0 IKAFRN CC[C@H](CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C/C(=N\O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000040457148 563103788 /nfs/dbraw/zinc/10/37/88/563103788.db2.gz RBDMVPLHNUYCLZ-IQXKVHPLSA-N 0 0 441.700 7.673 1 0 IKAFRN CCCC[C@H]1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000040466324 563103945 /nfs/dbraw/zinc/10/39/45/563103945.db2.gz MZELAPLYHMJGGX-DEOSSOPVSA-N 0 0 438.535 5.118 1 0 IKAFRN COCCCCCCCCCCCC(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000040505890 563104256 /nfs/dbraw/zinc/10/42/56/563104256.db2.gz IABFNPZEYLSINW-UHFFFAOYSA-N 0 0 433.677 7.473 1 0 IKAFRN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2[nH]c(N3CCCC3)nc2c1 ZINC000040575423 563105202 /nfs/dbraw/zinc/10/52/02/563105202.db2.gz XZVGIPQQAGNDJX-UHFFFAOYSA-N 0 0 447.951 5.244 1 0 IKAFRN CCCC1=NN(C(=O)Nc2cccc(C)c2)C(CCC)=NN1C(=O)Nc1cccc(C)c1 ZINC000040632498 563105625 /nfs/dbraw/zinc/10/56/25/563105625.db2.gz BUMIRIGTIBTCBO-UHFFFAOYSA-N 0 0 434.544 5.912 1 0 IKAFRN CCCN1CN(CCC)[C@@H](c2c(Cl)cccc2Cl)[C@H]1c1c(Cl)cccc1Cl ZINC000040646014 563105815 /nfs/dbraw/zinc/10/58/15/563105815.db2.gz FZNLXQHMPCCBTH-OYRHEFFESA-N 0 0 446.249 7.478 1 0 IKAFRN CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CC[C@@H]3C(C)(C)CCC[C@@]32C)[C@H]2CC=C3CO[C@@H](O)[C@@H]3[C@@]12C ZINC000040791366 563106836 /nfs/dbraw/zinc/10/68/36/563106836.db2.gz IDZDIJBVDDHIIM-ALDWOOHTSA-N 0 0 430.629 5.488 1 0 IKAFRN O=C1c2ccccc2[C@@](OC/C=C/c2ccccc2)(c2ccccc2)N1Cc1ccccc1 ZINC000040822591 563106974 /nfs/dbraw/zinc/10/69/74/563106974.db2.gz WPVOPOVWEFZOPQ-GJJXVVRLSA-N 0 0 431.535 6.274 1 0 IKAFRN C=C/C(C)=C/CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C[C@]35CC[C@]12C)CC[C@H](O)C4(C)C ZINC000040829128 563107052 /nfs/dbraw/zinc/10/70/52/563107052.db2.gz AERHIDACXVSXPV-NPQLDVBSSA-N 0 0 438.740 8.335 1 0 IKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cccs5)cnn4c3N)cc2)c1 ZINC000040835395 563107122 /nfs/dbraw/zinc/10/71/22/563107122.db2.gz HOOLRZYIAGPNMQ-UHFFFAOYSA-N 0 0 440.532 5.659 1 0 IKAFRN O=C(Nc1ccc(Sc2ccnc3[nH]c(=O)[nH]c32)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000040845652 563107306 /nfs/dbraw/zinc/10/73/06/563107306.db2.gz NVRPUKQTLWNDNC-UHFFFAOYSA-N 0 0 445.426 5.065 1 0 IKAFRN COc1cc2nc(N(C)CCc3ccccc3)nc(NC3CCCCCC3)c2cc1OC ZINC000040845178 563107318 /nfs/dbraw/zinc/10/73/18/563107318.db2.gz BDRBSUWFRFWYHA-UHFFFAOYSA-N 0 0 434.584 5.461 1 0 IKAFRN C[C@@H](OC[C@@]1(c2ccccc2)C[C@@H](C)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040845741 563107453 /nfs/dbraw/zinc/10/74/53/563107453.db2.gz DMNJGAVZKDLBNT-ARGWCVDVSA-N 0 0 445.403 5.853 1 0 IKAFRN CCOC(=O)c1c(Nc2ccc(Cl)cc2)nc(-c2ccccc2)cc1-c1ccc(F)cc1 ZINC000040846329 563107471 /nfs/dbraw/zinc/10/74/71/563107471.db2.gz VFELWQSSEMKALL-UHFFFAOYSA-N 0 0 446.909 7.128 1 0 IKAFRN Cc1c2cc(O)ccc2n(CCCCNC(=O)c2ccc(C)cc2)c1-c1ccc(O)cc1 ZINC000040847065 563107604 /nfs/dbraw/zinc/10/76/04/563107604.db2.gz QMIZQQCKHNESCQ-UHFFFAOYSA-N 0 0 428.532 5.547 1 0 IKAFRN O=C([O-])c1ccc(-c2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)CC3)cc1F ZINC000040847933 563107714 /nfs/dbraw/zinc/10/77/14/563107714.db2.gz QCPSPGIFNYOACL-URXFXBBRSA-N 0 0 439.914 5.025 1 0 IKAFRN CCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1Nc1ccc(OC)cc1 ZINC000040848350 563107781 /nfs/dbraw/zinc/10/77/81/563107781.db2.gz KIRIVOYPMQGQKF-UHFFFAOYSA-N 0 0 438.527 6.653 1 0 IKAFRN O=C(NC1CCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040848850 563107869 /nfs/dbraw/zinc/10/78/69/563107869.db2.gz NBLFSUPWOAZVTB-UHFFFAOYSA-N 0 0 434.754 6.172 1 0 IKAFRN Clc1ccc(COc2nnc(COc3ccc(-c4ccccc4)cc3)o2)c(Cl)c1 ZINC000040859810 563107929 /nfs/dbraw/zinc/10/79/29/563107929.db2.gz QCPBGSKHTPGGHO-UHFFFAOYSA-N 0 0 427.287 6.201 1 0 IKAFRN C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC(=O)[C@@H]1[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@@]21C ZINC000040861533 563108085 /nfs/dbraw/zinc/10/80/85/563108085.db2.gz GPIWSGIAALYKPX-CITAGXGHSA-N 0 0 440.712 7.636 1 0 IKAFRN Cc1ccnc(C)c1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000040862622 563108374 /nfs/dbraw/zinc/10/83/74/563108374.db2.gz HGPPWRMPDIQLER-UHFFFAOYSA-N 0 0 428.336 5.174 1 0 IKAFRN CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)OCC ZINC000040863407 563108478 /nfs/dbraw/zinc/10/84/78/563108478.db2.gz GJJDMFOJAUUPSS-GOSISDBHSA-N 0 0 436.021 6.485 1 0 IKAFRN O=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCc1ccnc2ccccc12 ZINC000040865168 563108618 /nfs/dbraw/zinc/10/86/18/563108618.db2.gz BWOICBFNIQMBIO-UHFFFAOYSA-N 0 0 428.439 5.575 1 0 IKAFRN Clc1ccc(C2=Nn3c(nnc3-c3cc(Cl)cc(Cl)c3Cl)SC2)cc1 ZINC000040865649 563108700 /nfs/dbraw/zinc/10/87/00/563108700.db2.gz JIZBGZCJZLYXDK-UHFFFAOYSA-N 0 0 430.147 5.917 1 0 IKAFRN C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCc1ccccc1 ZINC000040865939 563108733 /nfs/dbraw/zinc/10/87/33/563108733.db2.gz DFLULNJNYNQBPP-YGMZKKJISA-N 0 0 437.668 6.852 1 0 IKAFRN COc1cccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(C)c(Cl)c4)cc32)c1 ZINC000040872379 563108938 /nfs/dbraw/zinc/10/89/38/563108938.db2.gz DFMJZDYIIYWKAM-UHFFFAOYSA-N 0 0 433.899 5.988 1 0 IKAFRN C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]2[C@H]1C ZINC000040872275 563108939 /nfs/dbraw/zinc/10/89/39/563108939.db2.gz LRMCLMBQNJUJOA-QIFGSMJJSA-N 0 0 440.712 7.204 1 0 IKAFRN C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCc1ccco1 ZINC000040872422 563108964 /nfs/dbraw/zinc/10/89/64/563108964.db2.gz OJPRRHVDGAPBDL-BXMGUHIDSA-N 0 0 427.629 6.445 1 0 IKAFRN COC1=C(C)C(=O)O/C1=C\[C@H](C)CCC/C(C)=C/CC/C(C)=C/CCC1=CC(=O)OC1O ZINC000040872558 563109042 /nfs/dbraw/zinc/10/90/42/563109042.db2.gz DDTMQYOTHOOUKC-VYKJSIEISA-N 0 0 444.568 5.409 1 0 IKAFRN C/C(=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)C/C=C\[C@H](C)C(=O)[C@H](O)CC(C)C ZINC000040872889 563109103 /nfs/dbraw/zinc/10/91/03/563109103.db2.gz CHKKJDHXYINKDR-NPTMGISRSA-N 0 0 428.613 6.069 1 0 IKAFRN O=C(Nc1ccc(Cl)c(C(=O)Nc2cncs2)c1)c1cccc(C(F)(F)F)c1 ZINC000040873042 563109104 /nfs/dbraw/zinc/10/91/04/563109104.db2.gz HGRYIDVIIWMVOJ-UHFFFAOYSA-N 0 0 425.819 5.320 1 0 IKAFRN CSc1ccccc1Nc1nc2c(ncnc2Nc2ccc(C(F)(F)F)cc2)s1 ZINC000040874729 563109329 /nfs/dbraw/zinc/10/93/29/563109329.db2.gz IJRDNWKEZCJDEJ-UHFFFAOYSA-N 0 0 433.484 6.314 1 0 IKAFRN O=C(Nc1ccc2ncnc(Nc3cccc(F)c3)c2c1)Nc1cc(Cl)cc(Cl)c1 ZINC000040878151 563109541 /nfs/dbraw/zinc/10/95/41/563109541.db2.gz CGFICOJCLGQKSV-UHFFFAOYSA-N 0 0 442.281 6.463 1 0 IKAFRN OC1(c2cncs2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040879681 563109742 /nfs/dbraw/zinc/10/97/42/563109742.db2.gz KQUFTAYTBYGDSF-QSVWGWLCSA-N 0 0 445.415 6.054 1 0 IKAFRN CCCc1c2ncnc(NCc3ccc(OC)c(Cl)c3)c2cc(NC(=O)CC)c1OC ZINC000040891560 563109818 /nfs/dbraw/zinc/10/98/18/563109818.db2.gz XMHZMVYBNWXEOZ-UHFFFAOYSA-N 0 0 442.947 5.214 1 0 IKAFRN CC(C)c1cc(C(C)C)n(C[C@H](OC(=O)Nc2ccc(Oc3ccccc3)cc2)C(C)C)n1 ZINC000040891655 563109883 /nfs/dbraw/zinc/10/98/83/563109883.db2.gz HSLICMIQKJSPPK-SANMLTNESA-N 0 0 449.595 7.196 1 0 IKAFRN C[NH+](C)[C@H]1C[C@H]2Cn3c4cc(C(=O)[O-])ccc4c(C4CCCCC4)c3-c3ccccc3[C@H]2C1 ZINC000040892091 563109954 /nfs/dbraw/zinc/10/99/54/563109954.db2.gz JTGFVCQJOKTNRQ-WATLYSKOSA-N 0 0 442.603 6.492 1 0 IKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccccc5)nn4c3N)cc2)c1 ZINC000040894514 563110322 /nfs/dbraw/zinc/11/03/22/563110322.db2.gz NAGJDAKQFFTGOJ-UHFFFAOYSA-N 0 0 434.503 5.598 1 0 IKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5ccccc5)cnn4c3N)cc2)c1 ZINC000040896181 563110399 /nfs/dbraw/zinc/11/03/99/563110399.db2.gz OJUHSURIXVQRNA-UHFFFAOYSA-N 0 0 434.503 5.598 1 0 IKAFRN Fc1ccc(/C=C/c2nc3ccccc3n3c(-c4ccc(-c5ccccc5)cc4)nnc23)cc1 ZINC000040896348 563110492 /nfs/dbraw/zinc/11/04/92/563110492.db2.gz UJUFPIJSFUTQSG-XDHOZWIPSA-N 0 0 442.497 6.921 1 0 IKAFRN CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)on1 ZINC000040898651 563110741 /nfs/dbraw/zinc/11/07/41/563110741.db2.gz ALIDFYJKDZHROK-UHFFFAOYSA-N 0 0 434.292 5.016 1 0 IKAFRN CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000040899334 563110841 /nfs/dbraw/zinc/11/08/41/563110841.db2.gz QSEJUFNTTKWQER-SFHVURJKSA-N 0 0 439.865 5.014 1 0 IKAFRN Cc1cccc(CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1 ZINC000040900620 563110936 /nfs/dbraw/zinc/11/09/36/563110936.db2.gz GGPCEFMLVNTWLQ-UWIPZTJSSA-N 0 0 437.668 6.770 1 0 IKAFRN COc1nc2ccc(Br)cc2cc1[C@H](NCc1ccncc1)c1ccccc1 ZINC000040900809 563111015 /nfs/dbraw/zinc/11/10/15/563111015.db2.gz JWTKVSMSDOXVTM-JOCHJYFZSA-N 0 0 434.337 5.280 1 0 IKAFRN COc1ccc([C@H](C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000040918965 563111939 /nfs/dbraw/zinc/11/19/39/563111939.db2.gz BDKFRSTWXMRHIP-GDLZYMKVSA-N 0 0 435.567 6.166 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Oc1ccccc1CCO ZINC000040919192 563112123 /nfs/dbraw/zinc/11/21/23/563112123.db2.gz GCOMQRDQIHGQQF-VWLOTQADSA-N 0 0 431.576 5.873 1 0 IKAFRN CC[C@H](C[C@@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000040933735 563112232 /nfs/dbraw/zinc/11/22/32/563112232.db2.gz XWLHFTUCQDCSTJ-KRGGMQCASA-N 0 0 444.700 6.175 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1ccccc1CCO ZINC000040933739 563112291 /nfs/dbraw/zinc/11/22/91/563112291.db2.gz NUFSJKMTMVJHNU-QHCPKHFHSA-N 0 0 430.592 5.906 1 0 IKAFRN CN1c2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C[C@@H]1C[NH+](C)C ZINC000040934202 563112392 /nfs/dbraw/zinc/11/23/92/563112392.db2.gz XDPSSGZQLPRRDF-FQEVSTJZSA-N 0 0 431.580 5.434 1 0 IKAFRN O=C(N1CCC2(CC1)CC(=O)c1ccccc1O2)N1c2ccccc2Sc2ccccc21 ZINC000040934522 563112475 /nfs/dbraw/zinc/11/24/75/563112475.db2.gz HZFZOTADIAIUGQ-UHFFFAOYSA-N 0 0 442.540 5.909 1 0 IKAFRN CC(C)(C)Oc1cccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)c3ccccc32)c1 ZINC000040934642 563112496 /nfs/dbraw/zinc/11/24/96/563112496.db2.gz UBVMBWZXFJRNAU-LJAQVGFWSA-N 0 0 447.578 7.205 1 0 IKAFRN Cc1c(-c2nnc(C(C)C)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000040935275 563112654 /nfs/dbraw/zinc/11/26/54/563112654.db2.gz IOLMBXNGZBALHK-UHFFFAOYSA-N 0 0 447.753 6.981 1 0 IKAFRN CN(c1nc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2[nH]1)C1CCCC1 ZINC000040937281 563112918 /nfs/dbraw/zinc/11/29/18/563112918.db2.gz WMKQOFZKQKGZAQ-UHFFFAOYSA-N 0 0 430.474 5.532 1 0 IKAFRN CCCc1[nH+]ccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@H]1CC(=O)[O-] ZINC000040937241 563112959 /nfs/dbraw/zinc/11/29/59/563112959.db2.gz YXJFHHCBCZJNEC-ZDUSSCGKSA-N 0 0 449.403 6.799 1 0 IKAFRN CN(c1nc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2[nH]1)C1CCCCC1 ZINC000040937556 563113034 /nfs/dbraw/zinc/11/30/34/563113034.db2.gz RPHDHNYYAQYXLM-UHFFFAOYSA-N 0 0 444.501 5.922 1 0 IKAFRN CC[C@@H]1CCc2c(-c3cccc(OC(F)(F)F)c3)cccc2N1C[C@H](O)C(F)(F)F ZINC000040939057 563113212 /nfs/dbraw/zinc/11/32/12/563113212.db2.gz RYWWJZKJVQCGBW-KUHUBIRLSA-N 0 0 433.392 5.707 1 0 IKAFRN Cc1cccc(Cl)c1NC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O ZINC000040939673 563113363 /nfs/dbraw/zinc/11/33/63/563113363.db2.gz KVTOGESHVLOYQH-UHFFFAOYSA-N 0 0 437.854 5.725 1 0 IKAFRN CC(C)c1[nH+]ccc2c1c(Sc1c(Cl)cccc1Cl)c1n2CC[C@H]1CC(=O)[O-] ZINC000040939952 563113422 /nfs/dbraw/zinc/11/34/22/563113422.db2.gz MYYRBELEOPTTFG-LBPRGKRZSA-N 0 0 435.376 6.580 1 0 IKAFRN O=C1O[C@@H](O)C(c2cccc(-c3ccc4ccccc4c3)c2)=C1c1ccc2ccccc2c1 ZINC000040949489 563113735 /nfs/dbraw/zinc/11/37/35/563113735.db2.gz AXWQJVPOSBAMCI-GDLZYMKVSA-N 0 0 428.487 6.446 1 0 IKAFRN CC(C)CCc1cc(N(Cc2ccccc2)C(=O)OC(C)(C)C)nc(NCC(C)C)n1 ZINC000040949963 563113806 /nfs/dbraw/zinc/11/38/06/563113806.db2.gz WWXIQAIBCSKYJQ-UHFFFAOYSA-N 0 0 426.605 6.075 1 0 IKAFRN O=C(Nc1cccc(Cl)c1)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1 ZINC000040950727 563113922 /nfs/dbraw/zinc/11/39/22/563113922.db2.gz KMDFTXCPZABHFD-UHFFFAOYSA-N 0 0 449.873 5.714 1 0 IKAFRN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000040952113 563114095 /nfs/dbraw/zinc/11/40/95/563114095.db2.gz KKNXUQUBMSBTKF-DEOSSOPVSA-N 0 0 427.504 5.362 1 0 IKAFRN CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1cc(Cl)ccc1N2c1ccccc1C ZINC000040952644 563114208 /nfs/dbraw/zinc/11/42/08/563114208.db2.gz GPGCXDFVTFVHAS-UHFFFAOYSA-N 0 0 448.953 5.085 1 0 IKAFRN CCOC(=O)c1ccc(COc2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)cc1 ZINC000040952996 563114211 /nfs/dbraw/zinc/11/42/11/563114211.db2.gz CVJZKKVYNLOQRU-UHFFFAOYSA-N 0 0 443.343 6.028 1 0 IKAFRN COc1ccc(Cl)cc1Nc1nc(C)c(-c2csc(NC(=O)C(C)(C)C)n2)s1 ZINC000040954135 563114361 /nfs/dbraw/zinc/11/43/61/563114361.db2.gz ITMDMTFCVOIKSQ-UHFFFAOYSA-N 0 0 436.990 5.965 1 0 IKAFRN CSc1nc(-c2ccnc(N[C@H](C)CCc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000040955996 563114656 /nfs/dbraw/zinc/11/46/56/563114656.db2.gz GOUYVNZKESXWSQ-QGZVFWFLSA-N 0 0 432.568 6.433 1 0 IKAFRN CSc1nc(-c2ccnc(N[C@@H]3CCCc4ccccc43)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000040957073 563114840 /nfs/dbraw/zinc/11/48/40/563114840.db2.gz VRFQIBYIEAYTBZ-OAQYLSRUSA-N 0 0 430.552 6.489 1 0 IKAFRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCCCCCCn1nnc3ccccc31)O2 ZINC000040974354 563115110 /nfs/dbraw/zinc/11/51/10/563115110.db2.gz VEXAQKBTMMMJFK-MUUNZHRXSA-N 0 0 449.639 6.967 1 0 IKAFRN CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4cccc(Cl)c4)no3)ccc21 ZINC000040975305 563115207 /nfs/dbraw/zinc/11/52/07/563115207.db2.gz SSVOIYOFVZHGAB-UHFFFAOYSA-N 0 0 444.922 6.089 1 0 IKAFRN CCn1c2ccccc2c2cc(NC(=O)CCc3noc(-c4ccccc4F)n3)ccc21 ZINC000040975293 563115213 /nfs/dbraw/zinc/11/52/13/563115213.db2.gz HCCPCHOTWZKROT-UHFFFAOYSA-N 0 0 428.467 5.575 1 0 IKAFRN CCOC(=O)C1=NN(c2ccc(C)cc2)C2(S1)c1ccccc1Sc1ccccc12 ZINC000040975533 563115278 /nfs/dbraw/zinc/11/52/78/563115278.db2.gz LEINXGJGEJHVRK-UHFFFAOYSA-N 0 0 432.570 5.791 1 0 IKAFRN CC(=O)Nc1ccc(Oc2cncc(Nc3cccc(-c4cnco4)c3)n2)c2ccccc12 ZINC000040977358 563115458 /nfs/dbraw/zinc/11/54/58/563115458.db2.gz UDBXWYLHHPCQFJ-UHFFFAOYSA-N 0 0 437.459 5.779 1 0 IKAFRN CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC3CCC3)cc1)n2CCC(C)C ZINC000040980735 563115576 /nfs/dbraw/zinc/11/55/76/563115576.db2.gz OCQRTISEANCLQE-UHFFFAOYSA-N 0 0 447.623 6.087 1 0 IKAFRN CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000042889249 563116005 /nfs/dbraw/zinc/11/60/05/563116005.db2.gz MNFRCFZQRZZFOY-MTCTYUPJSA-N 0 0 444.700 5.887 1 0 IKAFRN Nc1ccc(NC(=O)c2c3onc(Nc4cccc(C(F)(F)F)c4)c3ccc2Cl)cn1 ZINC000042890834 563116081 /nfs/dbraw/zinc/11/60/81/563116081.db2.gz WVYGRJBDUQOBBG-UHFFFAOYSA-N 0 0 447.804 5.473 1 0 IKAFRN C[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c1=O ZINC000043009899 563116415 /nfs/dbraw/zinc/11/64/15/563116415.db2.gz SQKXWTQRMQRCRW-ZETCQYMHSA-N 0 0 426.653 5.937 1 0 IKAFRN CCc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn21 ZINC000043017454 563116905 /nfs/dbraw/zinc/11/69/05/563116905.db2.gz VRRHMLXYDKDLGS-UHFFFAOYSA-N 0 0 449.476 6.712 1 0 IKAFRN 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CC(C)(C)c1ccc(CNC(=O)c2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2)cc1 ZINC000045167914 563122466 /nfs/dbraw/zinc/12/24/66/563122466.db2.gz CNHSFYRMPPQRSZ-UHFFFAOYSA-N 0 0 439.603 6.755 1 0 IKAFRN CCN(CC)C(=O)c1cccc(/C=C/c2ccc(-c3c(C)[nH]c(C)c(Cl)c3=O)cc2)c1 ZINC000045167690 563122501 /nfs/dbraw/zinc/12/25/01/563122501.db2.gz JWYYATZLRSQBPB-ZHACJKMWSA-N 0 0 434.967 5.965 1 0 IKAFRN COc1ccc(NC(=O)Nc2cccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)c2)cc1 ZINC000045168204 563122562 /nfs/dbraw/zinc/12/25/62/563122562.db2.gz AVWFBFRNESWVLP-UHFFFAOYSA-N 0 0 448.526 6.858 1 0 IKAFRN COc1cc(CCNC(=O)Cc2ccc3ccccc3c2)ccc1OCc1ccccc1 ZINC000045168367 563122593 /nfs/dbraw/zinc/12/25/93/563122593.db2.gz ICRDZRUDOLVXQZ-UHFFFAOYSA-N 0 0 425.528 5.329 1 0 IKAFRN CCCCCCc1cc(OC)c(OC)cc1[C@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000045168539 563122672 /nfs/dbraw/zinc/12/26/72/563122672.db2.gz JACIUQMSRSDLKE-KRWDZBQOSA-N 0 0 426.988 7.201 1 0 IKAFRN O=C(Nc1ccc2c(c1)OCO2)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000045168848 563122686 /nfs/dbraw/zinc/12/26/86/563122686.db2.gz HIVYLODTMSVHOD-UHFFFAOYSA-N 0 0 448.482 6.270 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)[C@@H]1CCc2ccccc2O1 ZINC000045187000 563122751 /nfs/dbraw/zinc/12/27/51/563122751.db2.gz DEDLUVNIWGZLLU-NRFANRHFSA-N 0 0 441.314 5.578 1 0 IKAFRN Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)NCc5ccccc5)c4)cc3)nc21 ZINC000045187366 563122889 /nfs/dbraw/zinc/12/28/89/563122889.db2.gz LAHXZYAAYMACIM-UHFFFAOYSA-N 0 0 432.527 6.527 1 0 IKAFRN Clc1ccc(-n2cnc3c2ncnc3Nc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000045189010 563123195 /nfs/dbraw/zinc/12/31/95/563123195.db2.gz INUYDXAHKJHYBI-UHFFFAOYSA-N 0 0 448.313 6.658 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(C(=O)N5CCCC[C@@H]5[C@@H](C)O)cc4)c3)nc21 ZINC000045190461 563123455 /nfs/dbraw/zinc/12/34/55/563123455.db2.gz BNMHAFOGEFUKGR-KBMIEXCESA-N 0 0 439.559 5.581 1 0 IKAFRN Cc1[nH]c(C)c(-c2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)c(=O)c1Br ZINC000045191361 563123700 /nfs/dbraw/zinc/12/37/00/563123700.db2.gz KAXCYNNXGWWFEO-UHFFFAOYSA-N 0 0 438.247 5.579 1 0 IKAFRN CCCOc1cc2c(cc1OCCC)C(/C=C/c1ccc(Cl)cc1Cl)=N[C@@H](C)C2 ZINC000045192106 563123857 /nfs/dbraw/zinc/12/38/57/563123857.db2.gz LBVBSRCQFIPYSS-DYLHUKMJSA-N 0 0 432.391 7.018 1 0 IKAFRN COc1cc(C2CCCCC2)c(OC)cc1C[C@@H]1c2cc(O)c(Cl)cc2CCN1C ZINC000045194056 563124169 /nfs/dbraw/zinc/12/41/69/563124169.db2.gz QEOHGLYJOMUWFA-JOCHJYFZSA-N 0 0 429.988 5.882 1 0 IKAFRN O=C(CCc1cccnc1)Nc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1 ZINC000045194562 563124323 /nfs/dbraw/zinc/12/43/23/563124323.db2.gz PEVJZRFGLNDDBZ-UHFFFAOYSA-N 0 0 436.490 6.002 1 0 IKAFRN O=C(NCc1cccc(F)c1)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000045195830 563124499 /nfs/dbraw/zinc/12/44/99/563124499.db2.gz JHPXDMRHIUCYKD-UHFFFAOYSA-N 0 0 436.490 6.358 1 0 IKAFRN O=S(=O)([N-]c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1)c1cccc2cccnc21 ZINC000045196438 563124560 /nfs/dbraw/zinc/12/45/60/563124560.db2.gz OGVDSOHQRCZXQN-UHFFFAOYSA-N 0 0 443.572 5.298 1 0 IKAFRN O=C(Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000045201692 563124781 /nfs/dbraw/zinc/12/47/81/563124781.db2.gz HERHRJPJOZMSKU-SHQCIBLASA-N 0 0 444.538 6.575 1 0 IKAFRN Cc1ccc(C(=O)Nc2ccc(Nc3ccnc4cc(-c5ccccn5)ccc43)cc2O)cc1 ZINC000045201670 563124834 /nfs/dbraw/zinc/12/48/34/563124834.db2.gz APRZTYLGFOVRRT-UHFFFAOYSA-N 0 0 446.510 6.307 1 0 IKAFRN Clc1ccccc1C=Cc1cncnc1Nc1ccc2[nH]c(Cc3ccccc3)nc2c1 ZINC000045202180 563124869 /nfs/dbraw/zinc/12/48/69/563124869.db2.gz HGZRUEUZLMVXAM-ZHACJKMWSA-N 0 0 437.934 6.511 1 0 IKAFRN CCCCNC(=O)[C@@H](NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1)C(C)C ZINC000045202012 563124952 /nfs/dbraw/zinc/12/49/52/563124952.db2.gz MKQJHFQBBYFEOM-FQEVSTJZSA-N 0 0 437.367 5.037 1 0 IKAFRN Clc1ccc(CNc2ccnc(NCc3cccnc3N3CCCC3)n2)c(Cl)c1 ZINC000045202504 563125074 /nfs/dbraw/zinc/12/50/74/563125074.db2.gz YQEXWOKRULXLOZ-UHFFFAOYSA-N 0 0 429.355 5.003 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000045211150 563125285 /nfs/dbraw/zinc/12/52/85/563125285.db2.gz VILAGKUAQALKMX-UHFFFAOYSA-N 0 0 438.918 7.194 1 0 IKAFRN Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)c5cnn6cccnc56)c4)cc3)nc21 ZINC000045210671 563125332 /nfs/dbraw/zinc/12/53/32/563125332.db2.gz RPCXDALBVRWCOO-UHFFFAOYSA-N 0 0 444.498 5.500 1 0 IKAFRN Cc1cnc(C[S@](=O)c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1OCc1ccccc1 ZINC000045226674 563125420 /nfs/dbraw/zinc/12/54/20/563125420.db2.gz SBIIGFBBFMTJHL-WJOKGBTCSA-N 0 0 445.466 5.172 1 0 IKAFRN O=C(Nc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)c1c[nH]cn1 ZINC000045226631 563125433 /nfs/dbraw/zinc/12/54/33/563125433.db2.gz UATBHQKLMRLLLS-UHFFFAOYSA-N 0 0 447.420 5.891 1 0 IKAFRN COc1ccc(NC(=O)Nc2ccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)cc2)cc1 ZINC000045211257 563125446 /nfs/dbraw/zinc/12/54/46/563125446.db2.gz UJFAYLOVUGYHMY-UHFFFAOYSA-N 0 0 448.526 6.858 1 0 IKAFRN Cc1cccc2[nH]c(-c3ccc(-c4ccc(NC(=O)Nc5ccsc5)cc4)s3)nc21 ZINC000045228340 563125703 /nfs/dbraw/zinc/12/57/03/563125703.db2.gz XBYQYCXKVWLAON-UHFFFAOYSA-N 0 0 430.558 6.972 1 0 IKAFRN COc1ccc(NC(=O)Nc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)cc1 ZINC000045228821 563125715 /nfs/dbraw/zinc/12/57/15/563125715.db2.gz WDBSJSZLDHWJHQ-UHFFFAOYSA-N 0 0 434.499 6.550 1 0 IKAFRN Cc1[nH]c(C)c(-c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)c(=O)c1Br ZINC000045228474 563125716 /nfs/dbraw/zinc/12/57/16/563125716.db2.gz XOWSHNSDJPQUQA-UHFFFAOYSA-N 0 0 439.136 6.520 1 0 IKAFRN Cc1nnsc1C(=O)Nc1cccc(-c2cccc(-c3nc4c(cccc4C)[nH]3)c2)c1 ZINC000045229381 563125808 /nfs/dbraw/zinc/12/58/08/563125808.db2.gz XXKXCTWEVCJPEB-UHFFFAOYSA-N 0 0 425.517 5.618 1 0 IKAFRN CS(=O)(=O)c1ccc([C@@H]2CC([C@@H]3CCC[C@H]3c3cc(-c4ccccc4)on3)=NO2)cc1 ZINC000045245208 563126382 /nfs/dbraw/zinc/12/63/82/563126382.db2.gz LERMFUURMACQFW-REHUZNOOSA-N 0 0 436.533 5.146 1 0 IKAFRN CC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(NC(=O)[C@@H](C)Oc2ccccc2)c1 ZINC000045246054 563126753 /nfs/dbraw/zinc/12/67/53/563126753.db2.gz XIQQHIURKOKROB-QGZVFWFLSA-N 0 0 445.494 6.072 1 0 IKAFRN CC(=O)N[C@H](C)c1ccc(-c2ccc(Oc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1 ZINC000045252990 563126761 /nfs/dbraw/zinc/12/67/61/563126761.db2.gz RIQQCLOPZLQSKX-HXUWFJFHSA-N 0 0 435.523 6.574 1 0 IKAFRN CCc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 ZINC000045253426 563126919 /nfs/dbraw/zinc/12/69/19/563126919.db2.gz SQXJLEVGNHLDCC-UHFFFAOYSA-N 0 0 425.319 5.608 1 0 IKAFRN Nc1ncnc2c1ccn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000045253544 563126924 /nfs/dbraw/zinc/12/69/24/563126924.db2.gz FYXMAYGAKQLKDH-UHFFFAOYSA-N 0 0 446.820 5.319 1 0 IKAFRN Nc1nc2ccnc(-c3cc(Br)c(-c4cccc(-c5ccccc5)c4)[nH]3)c2[nH]1 ZINC000045257567 563127420 /nfs/dbraw/zinc/12/74/20/563127420.db2.gz AFUGNEPMHNXKQF-UHFFFAOYSA-N 0 0 430.309 5.632 1 0 IKAFRN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-n2cc3ccccc3n2)c1 ZINC000045257382 563127430 /nfs/dbraw/zinc/12/74/30/563127430.db2.gz RZZXUMDRABBGCT-UHFFFAOYSA-N 0 0 430.817 5.653 1 0 IKAFRN CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2cccc(C)c2n1 ZINC000045260105 563127646 /nfs/dbraw/zinc/12/76/46/563127646.db2.gz MHNXYZVWDASRHS-UHFFFAOYSA-N 0 0 431.927 5.498 1 0 IKAFRN C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@H]2[C@H](O)c1csc2ccccc21 ZINC000045260071 563127681 /nfs/dbraw/zinc/12/76/81/563127681.db2.gz GORYZYUNDWMPJM-FDJWOJMMSA-N 0 0 444.575 6.841 1 0 IKAFRN [NH3+]Cc1cccc(-c2cccc(Oc3nc(Oc4ccccc4C(=O)[O-])c(F)cc3F)c2)c1 ZINC000045283307 563127936 /nfs/dbraw/zinc/12/79/36/563127936.db2.gz WPRNQUHXHQVUKI-UHFFFAOYSA-N 0 0 448.425 5.768 1 0 IKAFRN CCC(CC)[C@H](NC(=O)c1ccc(Cl)cc1)c1ccnn1Cc1ccc(OC)cc1 ZINC000045284668 563128077 /nfs/dbraw/zinc/12/80/77/563128077.db2.gz KNXYSOZGSFSLCT-QHCPKHFHSA-N 0 0 425.960 5.501 1 0 IKAFRN Nc1nc(SCCc2ccccc2)nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000045285766 563128276 /nfs/dbraw/zinc/12/82/76/563128276.db2.gz RUVWHRYGBDXLEG-UHFFFAOYSA-N 0 0 432.618 5.167 1 0 IKAFRN CC(=O)O[C@@H]1OC(=O)C2=CC[C@@H]3[C@](C)(CC[C@@H]4[C@@]5(CO)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@H]21 ZINC000045286696 563128328 /nfs/dbraw/zinc/12/83/28/563128328.db2.gz HZNSTAFUGUGFAZ-JMJANOEMSA-N 0 0 444.612 5.016 1 0 IKAFRN COc1ccc(-c2nc(-c3ccccc3)oc2Sc2nnc(C)s2)c(OC)c1OC ZINC000045298866 563128967 /nfs/dbraw/zinc/12/89/67/563128967.db2.gz SDRDFTNEARYSOF-UHFFFAOYSA-N 0 0 441.534 5.346 1 0 IKAFRN CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c5ccccc5sc4n3)cc2)no1 ZINC000045300152 563129036 /nfs/dbraw/zinc/12/90/36/563129036.db2.gz IWPSRKCWTYJWAS-UHFFFAOYSA-N 0 0 431.521 6.146 1 0 IKAFRN S=C(Nc1ccccc1Cl)Nc1ncnc2c1sc(=S)n2-c1ccccc1 ZINC000045300050 563129039 /nfs/dbraw/zinc/12/90/39/563129039.db2.gz ZQJOJWDQHCUBSV-UHFFFAOYSA-N 0 0 429.983 5.674 1 0 IKAFRN C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON=C(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000045300870 563129196 /nfs/dbraw/zinc/12/91/96/563129196.db2.gz GMOOLQDMTQYHGO-JRLVAEJTSA-N 0 0 444.962 5.633 1 0 IKAFRN Cc1cc(C)cc(Oc2c(I)c(=O)[nH]c(C)c2CSC(C)C)c1 ZINC000045302415 563129477 /nfs/dbraw/zinc/12/94/77/563129477.db2.gz QKUODXMHEJZDQQ-UHFFFAOYSA-N 0 0 443.350 5.339 1 0 IKAFRN CN1c2ncnn2[C@@H](c2ccc(F)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(F)cc1 ZINC000045314818 563129791 /nfs/dbraw/zinc/12/97/91/563129791.db2.gz MMTJTCFRHQSHBS-UPVQGACJSA-N 0 0 428.442 5.141 1 0 IKAFRN O=C(CCCCCCn1cc(-c2cccnc2)nn1)Nc1ccccc1-c1ccccc1 ZINC000045315824 563129870 /nfs/dbraw/zinc/12/98/70/563129870.db2.gz VLWDBGLBKJTNPV-UHFFFAOYSA-N 0 0 425.536 5.596 1 0 IKAFRN C[C@@]1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)NCc2ccc(C(F)(F)F)cc2)=NO1 ZINC000045319090 563130138 /nfs/dbraw/zinc/13/01/38/563130138.db2.gz KQWUKCIUUVFYHT-VIZSFHNOSA-N 0 0 430.470 5.430 1 0 IKAFRN O=C(CCCCCCn1cc(-c2cccnc2)nn1)Oc1ccccc1-c1ccccc1 ZINC000045319956 563130187 /nfs/dbraw/zinc/13/01/87/563130187.db2.gz NDUBKCICRWWWIY-UHFFFAOYSA-N 0 0 426.520 5.563 1 0 IKAFRN CC(=O)N[C@H](C)c1ccc(-c2ccc(Oc3ccc(OCc4ccccc4)cc3)cc2)cc1 ZINC000045322196 563130362 /nfs/dbraw/zinc/13/03/62/563130362.db2.gz XXJLQMJCKKIIFA-OAQYLSRUSA-N 0 0 437.539 6.922 1 0 IKAFRN CC(=O)N[C@H](C(=O)Nc1ccc(-c2cccc(-c3nc4c(cccc4C)[nH]3)c2)cc1)C(C)C ZINC000045323302 563130614 /nfs/dbraw/zinc/13/06/14/563130614.db2.gz LXURFXQFPCAZHZ-DEOSSOPVSA-N 0 0 440.547 5.305 1 0 IKAFRN c1nc2nc(NCCc3ccccc3)nc(NCC(c3ccccc3)c3ccccc3)c2[nH]1 ZINC000045324463 563130847 /nfs/dbraw/zinc/13/08/47/563130847.db2.gz MRFVLZGSNSVTOW-UHFFFAOYSA-N 0 0 434.547 5.252 1 0 IKAFRN NC(=O)c1cccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045324471 563130903 /nfs/dbraw/zinc/13/09/03/563130903.db2.gz HEVMNCVQBFNGSS-UHFFFAOYSA-N 0 0 438.512 5.310 1 0 IKAFRN CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)cn1 ZINC000045334336 563130956 /nfs/dbraw/zinc/13/09/56/563130956.db2.gz NGLBNNHXZBSYOF-UHFFFAOYSA-N 0 0 447.498 5.503 1 0 IKAFRN Cc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1 ZINC000045334846 563131172 /nfs/dbraw/zinc/13/11/72/563131172.db2.gz ZNGUTQNFFCSZCZ-UHFFFAOYSA-N 0 0 431.333 5.995 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)NCc5ccccc5)c4)c3)nc21 ZINC000045334742 563131187 /nfs/dbraw/zinc/13/11/87/563131187.db2.gz NSLNZBQGHPYMOE-UHFFFAOYSA-N 0 0 432.527 6.527 1 0 IKAFRN O=C(Nc1ccccc1)Nc1ccc(-c2nc3ccsc3c(C3=CCOCC3)n2)cc1 ZINC000045335652 563131410 /nfs/dbraw/zinc/13/14/10/563131410.db2.gz XODBIHJLJPZWEL-UHFFFAOYSA-N 0 0 428.517 5.806 1 0 IKAFRN O=C1C[C@H](O)C[C@@H](/C=C/c2c(C3CC3)nc3ccccc3c2Sc2ccc(F)cc2)O1 ZINC000045350201 563132215 /nfs/dbraw/zinc/13/22/15/563132215.db2.gz MZZUIPBEYLQBNB-PQGVJJGYSA-N 0 0 435.520 5.482 1 0 IKAFRN COC(=O)c1ccc(Oc2cccc(-c3c(C)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000045352450 563132349 /nfs/dbraw/zinc/13/23/49/563132349.db2.gz JAPARGDNOJYVRR-UHFFFAOYSA-N 0 0 437.417 6.808 1 0 IKAFRN O=C1[C@H](Cc2ccc(F)c(F)c2)CC[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000045353232 563132422 /nfs/dbraw/zinc/13/24/22/563132422.db2.gz SJAHNQMIWHQHEX-GAJHUEQPSA-N 0 0 446.324 6.999 1 0 IKAFRN CC(C)(C)[C@H](C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 ZINC000045354693 563132523 /nfs/dbraw/zinc/13/25/23/563132523.db2.gz NOWKUZZKNNMSNY-IBGZPJMESA-N 0 0 433.404 6.809 1 0 IKAFRN CNc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 ZINC000045356927 563132733 /nfs/dbraw/zinc/13/27/33/563132733.db2.gz KGPDAHKYKYCJKH-UHFFFAOYSA-N 0 0 436.462 5.495 1 0 IKAFRN COc1ccc(-c2csc3c2-n2cc(-c4ccc(OC)c(OC)c4)cc2C3=O)cc1O ZINC000045357193 563132759 /nfs/dbraw/zinc/13/27/59/563132759.db2.gz LGQVFALCYXWQSQ-UHFFFAOYSA-N 0 0 433.485 5.149 1 0 IKAFRN O=C1C(=O)N(Cc2ccc(-c3ccc(Cl)nc3)cc2)c2ccc(OC(F)(F)F)cc21 ZINC000045358084 563132794 /nfs/dbraw/zinc/13/27/94/563132794.db2.gz LUHNHJZWUYWOMX-UHFFFAOYSA-N 0 0 432.785 5.030 3 0 IKAFRN Fc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 ZINC000045357608 563132806 /nfs/dbraw/zinc/13/28/06/563132806.db2.gz ASKIBVCAYFMHJX-UHFFFAOYSA-N 0 0 425.410 5.593 1 0 IKAFRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(Oc2cccc3[nH]c(=O)[nH]c32)c1 ZINC000045358013 563132817 /nfs/dbraw/zinc/13/28/17/563132817.db2.gz NVWQGMFISNPJHV-UHFFFAOYSA-N 0 0 447.800 5.573 1 0 IKAFRN Cc1cccc2oc(SCc3ccc(CSc4nc5c(cccc5C)o4)cc3)nc21 ZINC000045358719 563132877 /nfs/dbraw/zinc/13/28/77/563132877.db2.gz QMBPLKGBNJDXGU-UHFFFAOYSA-N 0 0 432.570 7.170 1 0 IKAFRN OCc1ccc(Oc2cccc(-c3c4cccc(Cl)c4ncc3-c3ccccc3)c2)cc1 ZINC000045366884 563133051 /nfs/dbraw/zinc/13/30/51/563133051.db2.gz YRWXCMJJJAVQPM-UHFFFAOYSA-N 0 0 437.926 7.507 1 0 IKAFRN O=C(Nc1ccncc1)Nc1ccc(-c2nc3ccsc3c(C3=CCOCC3)n2)cc1 ZINC000045367651 563133128 /nfs/dbraw/zinc/13/31/28/563133128.db2.gz BPPQVJDWSGXVBZ-UHFFFAOYSA-N 0 0 429.505 5.201 1 0 IKAFRN CCCCCCC(C)(C)c1cc(NS(C)(=O)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 ZINC000045368656 563133214 /nfs/dbraw/zinc/13/32/14/563133214.db2.gz GWEZFNZYNZYCHM-NHCUHLMSSA-N 0 0 447.685 6.917 1 0 IKAFRN O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c32)c1)c1cccc(SC(F)(F)F)c1 ZINC000045374857 563133638 /nfs/dbraw/zinc/13/36/38/563133638.db2.gz FOEHPRUQMPZGMN-UHFFFAOYSA-N 0 0 445.422 5.513 1 0 IKAFRN Nc1ncc2c(n1)c(-c1cc3c[nH]nc3c(-c3cc4ccccc4s3)c1)cn2C1C=CC=C1 ZINC000045386618 563133807 /nfs/dbraw/zinc/13/38/07/563133807.db2.gz PFDRBOSPJOVHCV-UHFFFAOYSA-N 0 0 446.539 6.106 1 0 IKAFRN COC(=O)c1ccc2c(ccn2-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)n1 ZINC000045386110 563133843 /nfs/dbraw/zinc/13/38/43/563133843.db2.gz BOFJZWBNFYTYSV-UHFFFAOYSA-N 0 0 439.393 5.083 1 0 IKAFRN CC(C)c1nc2c(Cl)cccn2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000045386954 563133909 /nfs/dbraw/zinc/13/39/09/563133909.db2.gz NKFDLBSCCAQKKW-UHFFFAOYSA-N 0 0 440.952 5.974 1 0 IKAFRN Cc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000045389924 563133984 /nfs/dbraw/zinc/13/39/84/563133984.db2.gz FSSRGWRMAQZYCP-UHFFFAOYSA-N 0 0 446.450 5.524 1 0 IKAFRN O=C(COc1ccccc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000045389866 563133994 /nfs/dbraw/zinc/13/39/94/563133994.db2.gz KAVYNTVJFQWLDL-UHFFFAOYSA-N 0 0 449.308 5.153 1 0 IKAFRN C[C@H](Oc1ccc2ncc(/C=C/C(=O)N(C)C)cc2c1)c1c(Cl)ccc(F)c1Cl ZINC000045391388 563134035 /nfs/dbraw/zinc/13/40/35/563134035.db2.gz CFSBXICQIRBTLS-FAFAAHBOSA-N 0 0 433.310 5.922 1 0 IKAFRN O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c32)c1)Nc1cc(C(F)(F)F)ccc1F ZINC000045390876 563134076 /nfs/dbraw/zinc/13/40/76/563134076.db2.gz KDDVZXSLQGBKFT-UHFFFAOYSA-N 0 0 446.360 5.450 1 0 IKAFRN CC(C)Oc1cc(-c2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3ccccc3)cc2)ccc1C(=O)[O-] ZINC000045484746 563134248 /nfs/dbraw/zinc/13/42/48/563134248.db2.gz KCTBUMIGOBQWOE-CLOONOSVSA-N 0 0 433.548 5.093 1 0 IKAFRN O=C1/C(=C/c2ccc(Cl)cc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000045496220 563134440 /nfs/dbraw/zinc/13/44/40/563134440.db2.gz GBLUZQALHCGHIR-XNTDXEJSSA-N 0 0 435.137 7.519 1 0 IKAFRN COc1cccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)c1 ZINC000045498791 563134710 /nfs/dbraw/zinc/13/47/10/563134710.db2.gz SSSKNNZAGALUAS-UHFFFAOYSA-N 0 0 445.454 5.069 1 0 IKAFRN COc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1 ZINC000045498794 563134737 /nfs/dbraw/zinc/13/47/37/563134737.db2.gz VLEHOZCAQJNQPI-UHFFFAOYSA-N 0 0 445.454 5.069 1 0 IKAFRN CC(=O)c1c(O)c2cc(Cl)cc(C(F)(F)F)c2nc1Nc1ccc(C(F)(F)F)cc1 ZINC000045506033 563134792 /nfs/dbraw/zinc/13/47/92/563134792.db2.gz KMGUUOJPKDHKDY-UHFFFAOYSA-N 0 0 448.750 6.165 1 0 IKAFRN O=C(c1ccccc1)N1CCC(c2nc3c([nH]2)c(Nc2ccccc2)nc2ccccc32)CC1 ZINC000045506414 563134899 /nfs/dbraw/zinc/13/48/99/563134899.db2.gz ARXVUMMHDKUMLE-UHFFFAOYSA-N 0 0 447.542 5.875 1 0 IKAFRN COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)N(C(=O)NC1CCCCC1)CC2 ZINC000045506627 563134931 /nfs/dbraw/zinc/13/49/31/563134931.db2.gz CTZCWTMPVOXSQA-QHCPKHFHSA-N 0 0 428.960 5.347 1 0 IKAFRN CCCCCC[C@H](O)C/C=C\CCCCCCCc1nnc(Nc2ccccc2)s1 ZINC000048999862 563135210 /nfs/dbraw/zinc/13/52/10/563135210.db2.gz JQOPGBMNLIQVHR-XXIOWLSESA-N 0 0 429.674 7.442 1 0 IKAFRN Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(Br)cc2)[nH]1 ZINC000049034649 563136153 /nfs/dbraw/zinc/13/61/53/563136153.db2.gz BGLQERYPICKIOT-UHFFFAOYSA-N 0 0 428.333 6.963 1 0 IKAFRN O=C(Nc1cccc(-c2ccnc3c(-c4cn[nH]c4)cnn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049036293 563136492 /nfs/dbraw/zinc/13/64/92/563136492.db2.gz MESKGDQSFWBJSN-UHFFFAOYSA-N 0 0 448.408 5.058 1 0 IKAFRN Cc1ccc2c(c1)C(C)(C)[C@H]1COc3ccc4c(=O)c(-c5ccccc5)c(C)oc4c3[C@H]1N2 ZINC000049054785 563137167 /nfs/dbraw/zinc/13/71/67/563137167.db2.gz FMNUBSBKJCVJPF-LVXARBLLSA-N 0 0 437.539 6.530 1 0 IKAFRN O=C(N1CCCCC1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2Cl)CC1 ZINC000049066980 563137269 /nfs/dbraw/zinc/13/72/69/563137269.db2.gz BHUFAMDEGOUAKE-QFIPXVFZSA-N 0 0 432.395 5.306 1 0 IKAFRN CCOC(=O)c1cnc(NC(=O)[C@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)s1 ZINC000049088122 563138014 /nfs/dbraw/zinc/13/80/14/563138014.db2.gz UJINJBQVRZGYAU-CQSZACIVSA-N 0 0 441.380 5.929 1 0 IKAFRN O=C1c2ccc(Oc3ccccc3)cc2O[C@@H](SCc2cccnc2)[C@@H]1c1ccccc1 ZINC000049088578 563138042 /nfs/dbraw/zinc/13/80/42/563138042.db2.gz NPRHWIYPJGTPNE-VPUSJEBWSA-N 0 0 439.536 6.492 1 0 IKAFRN COc1cc(-c2cccc3ccccc32)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000049113099 563138452 /nfs/dbraw/zinc/13/84/52/563138452.db2.gz QUAXMSDBWHBBBP-WHLCRQNOSA-N 0 0 448.006 7.210 1 0 IKAFRN COc1ccc(OC)c(Cc2cc3c(ncnc3Nc3cccc(Br)c3)[nH]2)c1 ZINC000049113060 563138493 /nfs/dbraw/zinc/13/84/93/563138493.db2.gz IXGXJNXPVJEGDV-UHFFFAOYSA-N 0 0 439.313 5.072 1 0 IKAFRN O=C(NC1CCCCC1)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2Cl)CC1 ZINC000049113441 563138555 /nfs/dbraw/zinc/13/85/55/563138555.db2.gz OKSNOSDSHBATTM-HSZRJFAPSA-N 0 0 429.967 5.228 1 0 in-vitro IKAFRN CO[C@@]1(C)C[C@@H]2OCC3=CC[C@](C)(C/C=C/C(C)C)[C@@H](/C=C/OC(=O)C=C(C)C)[C@]32O1 ZINC000049113290 563138598 /nfs/dbraw/zinc/13/85/98/563138598.db2.gz DZJLUNSANZJJSP-UDRGZPDQSA-N 0 0 430.585 5.485 1 0 IKAFRN Clc1ccccc1[C@@H]1ON=C(c2ccc(C3=NO[C@@H](c4ccccc4Cl)O3)cc2)O1 ZINC000049113256 563138602 /nfs/dbraw/zinc/13/86/02/563138602.db2.gz OBEKYLRSYGFRJP-VXKWHMMOSA-N 0 0 441.270 5.808 1 0 IKAFRN O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc21 ZINC000049115033 563138749 /nfs/dbraw/zinc/13/87/49/563138749.db2.gz BDFZOHZGNDMMPH-UHFFFAOYSA-N 0 0 434.503 5.380 1 0 IKAFRN CCO[P@]1(=O)OC(c2ccc(CC)cc2)=C(Br)c2ccc(Cl)cc21 ZINC000049784418 563139601 /nfs/dbraw/zinc/13/96/01/563139601.db2.gz INOFJEYMWHEZRW-DEOSSOPVSA-N 0 0 427.662 6.008 1 0 IKAFRN Cc1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000049803120 563140038 /nfs/dbraw/zinc/14/00/38/563140038.db2.gz RKIYIJPONCIMCN-UHFFFAOYSA-N 0 0 429.523 6.767 1 0 IKAFRN CCN(CC)C(=S)S[C@@H](CC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000049803183 563140061 /nfs/dbraw/zinc/14/00/61/563140061.db2.gz WJCAIGZTXRRXEJ-IBGZPJMESA-N 0 0 426.434 6.667 1 0 IKAFRN COc1ccccc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000049803521 563140152 /nfs/dbraw/zinc/14/01/52/563140152.db2.gz OFAJYVNHCQDBFF-GIWBLDEGSA-N 0 0 440.927 6.193 1 0 IKAFRN Cc1ccc(N[C@H](C(=O)CCc2ccncc2)c2ccccc2Br)c(Cl)c1 ZINC000052595107 563140812 /nfs/dbraw/zinc/14/08/12/563140812.db2.gz XAXSLDGZQYGHOZ-QFIPXVFZSA-N 0 0 443.772 6.161 1 0 IKAFRN Cc1ccc(N[C@H](C(=O)Cc2ccncc2)c2ccccc2Br)c(Cl)c1 ZINC000052595008 563140825 /nfs/dbraw/zinc/14/08/25/563140825.db2.gz GLVPGJZRNLXKMM-NRFANRHFSA-N 0 0 429.745 5.771 1 0 IKAFRN Cc1ccccc1[C@H](Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CCc1ccncc1 ZINC000052594971 563140842 /nfs/dbraw/zinc/14/08/42/563140842.db2.gz FUWUMJVNJXTJIK-QFIPXVFZSA-N 0 0 432.873 6.417 1 0 IKAFRN Cc1ccc(N[C@@H](C(=O)CCc2ccccc2)c2ccccc2Br)c(Cl)c1 ZINC000053151217 563141119 /nfs/dbraw/zinc/14/11/19/563141119.db2.gz DCYOKNXAKWFFQI-HSZRJFAPSA-N 0 0 442.784 6.766 1 0 IKAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc2cc(-c3ccccc3Cl)oc21 ZINC000053297025 563141912 /nfs/dbraw/zinc/14/19/12/563141912.db2.gz JNNSUUCCNZSLIR-UHFFFAOYSA-N 0 0 446.812 7.296 1 0 IKAFRN S=c1oc2ccc(Br)cc2c(=S)n1Cc1ccc(Cl)c(Cl)c1 ZINC000053297820 563141918 /nfs/dbraw/zinc/14/19/18/563141918.db2.gz SXDRGBRPTGIQKD-UHFFFAOYSA-N 0 0 433.179 6.811 1 0 IKAFRN C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000058525350 563144009 /nfs/dbraw/zinc/14/40/09/563144009.db2.gz FLAPPJJSMSEVMY-UUKOSSJBSA-N 0 0 430.717 6.997 1 0 IKAFRN Cc1ccc(Cl)cc1OCCCCCCCCCCN1C(=O)c2ccccc2C1=O ZINC000058569026 563144658 /nfs/dbraw/zinc/14/46/58/563144658.db2.gz HGDBBJCREFSDHQ-UHFFFAOYSA-N 0 0 427.972 6.444 1 0 IKAFRN COC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)c2)c(Cc2ccccc2)c1 ZINC000058581009 563144938 /nfs/dbraw/zinc/14/49/38/563144938.db2.gz IVXGQOJXCFADCO-UHFFFAOYSA-N 0 0 441.571 6.439 1 0 IKAFRN COc1cc(F)ccc1-c1cccc(Cn2cnc3ccc(NC(=O)C(C)(C)C)cc32)n1 ZINC000058581191 563144989 /nfs/dbraw/zinc/14/49/89/563144989.db2.gz LMSXJSCRUCNUEH-UHFFFAOYSA-N 0 0 432.499 5.279 1 0 IKAFRN CC[C@@H](C)NC(=O)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000058603342 563145804 /nfs/dbraw/zinc/14/58/04/563145804.db2.gz WXKNIMWWXLNAHN-IIBYNOLFSA-N 0 0 443.950 5.157 1 0 IKAFRN CCCOP(=O)(OCCC)[C@@H](NC(=S)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000059130225 563146245 /nfs/dbraw/zinc/14/62/45/563146245.db2.gz QYXVWIAFKLNWEB-WIYYLYMNSA-N 0 0 434.542 5.957 1 0 IKAFRN CC(C)OP(=O)(OC(C)C)[C@H](NC(=S)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000059130236 563146258 /nfs/dbraw/zinc/14/62/58/563146258.db2.gz WERBVZHAUGHWMQ-RXVVDRJESA-N 0 0 434.542 5.954 1 0 IKAFRN Nc1ncc(-c2cccnc2)c2scc(-c3cccc(NC(=O)C4CCCCC4)c3)c21 ZINC000060326988 563147004 /nfs/dbraw/zinc/14/70/04/563147004.db2.gz GRIVFOZNBCRMDR-UHFFFAOYSA-N 0 0 428.561 6.126 1 0 IKAFRN O=C(Nc1cccc2c1CCCC2)c1cc([C@@H]2CCCCN2C(=O)c2cccs2)on1 ZINC000061896147 563147331 /nfs/dbraw/zinc/14/73/31/563147331.db2.gz YEZZORCBYQECEP-FQEVSTJZSA-N 0 0 435.549 5.235 3 0 IKAFRN CS(=O)(=O)Nc1cccc(NC(=O)c2cccc3c(-c4ccc(F)c(F)c4)coc32)c1 ZINC000061896290 563147339 /nfs/dbraw/zinc/14/73/39/563147339.db2.gz MEZCMGQFOQXPFA-UHFFFAOYSA-N 0 0 442.443 5.002 3 0 IKAFRN Cc1ccc(NC(=O)[C@]2(C)CCN2C(=O)c2ccccc2CCc2ccccc2)cc1C ZINC000061896082 563147342 /nfs/dbraw/zinc/14/73/42/563147342.db2.gz JPFNBELKHQKIHS-NDEPHWFRSA-N 0 0 426.560 5.332 3 0 IKAFRN CC(=O)c1cccc(NC(=O)[C@@]2(C)Cc3c(nccc3-c3cccc(C(F)(F)F)c3)O2)c1 ZINC000061896482 563147401 /nfs/dbraw/zinc/14/74/01/563147401.db2.gz JPKQBUNMUWXKAD-HSZRJFAPSA-N 0 0 440.421 5.302 3 0 IKAFRN COc1ccccc1-c1cnc2c(Nc3cccc(OC(F)(F)C(F)F)c3)nccn12 ZINC000061896865 563147525 /nfs/dbraw/zinc/14/75/25/563147525.db2.gz TUSGRLYNRRQISD-UHFFFAOYSA-N 0 0 432.377 5.385 3 0 IKAFRN Cn1c(=O)c2sc(-c3cccc(C(F)(F)F)c3)cc2nc1NCc1ccccc1F ZINC000061897620 563147587 /nfs/dbraw/zinc/14/75/87/563147587.db2.gz BQOVKMDIMPLRIT-UHFFFAOYSA-N 0 0 433.430 5.432 3 0 IKAFRN C[C@@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCN1Cc1ccccc1OC(F)F ZINC000061898182 563147704 /nfs/dbraw/zinc/14/77/04/563147704.db2.gz ZHWASHLTKVSRTG-VWLOTQADSA-N 0 0 438.474 5.683 3 0 IKAFRN CCc1nc2c(OCc3cccc(Cl)c3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061903056 563147849 /nfs/dbraw/zinc/14/78/49/563147849.db2.gz ARLOJQCZWPDFEG-UHFFFAOYSA-N 0 0 449.938 5.414 3 0 IKAFRN CSc1ccc(NC(=O)[C@]2(C)CCN2C(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000061903850 563148014 /nfs/dbraw/zinc/14/80/14/563148014.db2.gz GXGZSCQAFQMZDC-MHZLTWQESA-N 0 0 444.600 5.437 3 0 IKAFRN O=C(NCCc1ccccc1)[C@@H]1Cc2c(nccc2-c2ccccc2Oc2ccccc2)O1 ZINC000061905102 563148191 /nfs/dbraw/zinc/14/81/91/563148191.db2.gz LHJKAAYZVIMYFP-SANMLTNESA-N 0 0 436.511 5.203 3 0 IKAFRN C=Cc1ccc(Cn2c(C)c(C(=O)NCc3ccc(Cl)c(Cl)c3)sc2=O)cc1 ZINC000061904849 563148218 /nfs/dbraw/zinc/14/82/18/563148218.db2.gz DDIQNGLWMREFTP-UHFFFAOYSA-N 0 0 433.360 5.146 3 0 IKAFRN CC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccccc4Oc4ccccc4)cn23)c1 ZINC000061905173 563148295 /nfs/dbraw/zinc/14/82/95/563148295.db2.gz YJAXZOKJTPUIPI-UHFFFAOYSA-N 0 0 447.494 6.232 3 0 IKAFRN O=C(NCc1cccs1)[C@H]1Cc2c(nccc2-c2ccccc2Oc2ccccc2)O1 ZINC000061905345 563148301 /nfs/dbraw/zinc/14/83/01/563148301.db2.gz INNWJTVPEWIPKH-HSZRJFAPSA-N 0 0 428.513 5.222 3 0 IKAFRN O=C(NCCc1ccccc1)[C@H]1Cc2c(nccc2-c2ccccc2Oc2ccccc2)O1 ZINC000061905103 563148310 /nfs/dbraw/zinc/14/83/10/563148310.db2.gz LHJKAAYZVIMYFP-AREMUKBSSA-N 0 0 436.511 5.203 3 0 IKAFRN COc1ccccc1-c1cc(NC(C)=O)c2ncc(-c3cccc(C(F)(F)F)c3)n2c1 ZINC000061905129 563148331 /nfs/dbraw/zinc/14/83/31/563148331.db2.gz FWPNLORCGBUVSN-UHFFFAOYSA-N 0 0 425.410 5.654 3 0 IKAFRN COC(=O)c1ccc(C[C@]2(C)C(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cc32)o1 ZINC000061905668 563148380 /nfs/dbraw/zinc/14/83/80/563148380.db2.gz UKJGQTMYNVGIKG-QFIPXVFZSA-N 0 0 429.394 5.205 3 0 IKAFRN COc1cc(-c2coc3c2cccc3C(=O)NCc2ccc(C(F)(F)F)cc2)ccc1O ZINC000061907485 563148801 /nfs/dbraw/zinc/14/88/01/563148801.db2.gz BFVXQYBTKDKCPF-UHFFFAOYSA-N 0 0 441.405 5.763 3 0 IKAFRN Cc1cc(C)cc(-n2c3ccc(NC(=O)Cc4cccc5ccccc54)cc3c(=O)n2C)c1 ZINC000061907516 563148804 /nfs/dbraw/zinc/14/88/04/563148804.db2.gz BSHFRWDEFSCBCX-UHFFFAOYSA-N 0 0 435.527 5.280 3 0 IKAFRN Clc1cccc(CNc2ccn3nc(-c4cccc(OCc5ccccc5)c4)cc3n2)c1 ZINC000061908708 563149043 /nfs/dbraw/zinc/14/90/43/563149043.db2.gz VYTZKHIXHJHDKE-UHFFFAOYSA-N 0 0 440.934 6.241 3 0 IKAFRN COc1ccccc1-c1ccc2c(c1)[C@](C)(Cc1ccc(OC(F)(F)F)cc1)C(=O)N2 ZINC000061908725 563149050 /nfs/dbraw/zinc/14/90/50/563149050.db2.gz KEWKFZZUFMKYQJ-QHCPKHFHSA-N 0 0 427.422 5.713 3 0 IKAFRN Cc1cc(C)c2c(c1)nc1n(c2=O)-c2cc3ccccc3cc2C(=O)N[C@@H]1Cc1ccccc1 ZINC000061921347 563149217 /nfs/dbraw/zinc/14/92/17/563149217.db2.gz KOANFKQXWUZKOJ-XMMPIXPASA-N 0 0 445.522 5.183 3 0 IKAFRN CSc1ccc(Cn2c(C)c(C(=O)NCc3ccc(C(C)C)cc3)sc2=O)cc1 ZINC000061929216 563150462 /nfs/dbraw/zinc/15/04/62/563150462.db2.gz OZSFCKOPUAIDNZ-UHFFFAOYSA-N 0 0 426.607 5.042 3 0 IKAFRN Cn1c(=O)c2cc(NC(=O)NCCc3cccs3)ccc2n1-c1ccc(C(C)(C)C)cc1 ZINC000061926092 563149815 /nfs/dbraw/zinc/14/98/15/563149815.db2.gz YUASUGBTMAYNOR-UHFFFAOYSA-N 0 0 448.592 5.052 3 0 IKAFRN O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@@H]2CCCCN2C(=O)c2cccs2)on1 ZINC000061926287 563149887 /nfs/dbraw/zinc/14/98/87/563149887.db2.gz WOBHNCHEGQWWDM-INIZCTEOSA-N 0 0 433.892 5.148 3 0 IKAFRN CC(=O)Nc1cc(-c2ccccc2N(C)C)cn2c(-c3cccc(C(F)(F)F)c3)cnc12 ZINC000061926678 563149986 /nfs/dbraw/zinc/14/99/86/563149986.db2.gz DREIBOHVTLWRIV-UHFFFAOYSA-N 0 0 438.453 5.712 3 0 IKAFRN Cc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)CCC1CCCC1 ZINC000061926736 563150056 /nfs/dbraw/zinc/15/00/56/563150056.db2.gz VNELMCYECJCRBM-UHFFFAOYSA-N 0 0 427.495 5.433 3 0 IKAFRN CC(C)Oc1ccc(CN2CC[C@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000061927051 563150114 /nfs/dbraw/zinc/15/01/14/563150114.db2.gz KCFGGDOJSSEGGS-HHHXNRCGSA-N 0 0 430.548 5.869 3 0 IKAFRN CCc1nc2c(OCCOc3ccc(F)cc3)cccn2c1N(C)C(=O)c1ccc(C)cc1 ZINC000061927989 563150293 /nfs/dbraw/zinc/15/02/93/563150293.db2.gz YBDIAGVSUWPDHC-UHFFFAOYSA-N 0 0 447.510 5.079 3 0 IKAFRN CCC(CC)C(=O)N(C)c1c(C)nc2c(OCc3ccc(OC(F)F)cc3)cccn21 ZINC000061929811 563150477 /nfs/dbraw/zinc/15/04/77/563150477.db2.gz LQIIPSLKKGIIDX-UHFFFAOYSA-N 0 0 431.483 5.222 3 0 IKAFRN COc1ccc(OC(F)(F)F)cc1C[C@]1(C)C(=O)Nc2ccc(-c3ccsc3)cc21 ZINC000061930154 563150596 /nfs/dbraw/zinc/15/05/96/563150596.db2.gz IOBCNVHYRDSUPA-NRFANRHFSA-N 0 0 433.451 5.775 3 0 IKAFRN COc1ccc2sc(-c3ccc(SC)cc3)c(/C=C/c3ccc(OC)c(OC)c3)c2c1 ZINC000061947993 563151537 /nfs/dbraw/zinc/15/15/37/563151537.db2.gz TYWRBVNLCLRVKY-LFYBBSHMSA-N 0 0 448.609 7.486 3 0 IKAFRN O=C(N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000061959066 563151998 /nfs/dbraw/zinc/15/19/98/563151998.db2.gz CRKIWGFMTUUYBR-XZOQPEGZSA-N 0 0 425.450 5.708 3 0 IKAFRN Cc1cc2cc(-c3csc4c3c(N)ncc4-c3cccc(S(C)(=O)=O)c3)ccc2[nH]1 ZINC000063298109 563152255 /nfs/dbraw/zinc/15/22/55/563152255.db2.gz YDWMUCKJUNLURC-UHFFFAOYSA-N 0 0 433.558 5.406 1 0 IKAFRN Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c12 ZINC000063539240 563152272 /nfs/dbraw/zinc/15/22/72/563152272.db2.gz RKLGMDOZEOTQEM-UHFFFAOYSA-N 0 0 429.377 5.614 1 0 IKAFRN CCCC(=O)Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc21 ZINC000063539967 563152350 /nfs/dbraw/zinc/15/23/50/563152350.db2.gz ZRQXCQXWTLVASO-UHFFFAOYSA-N 0 0 436.519 5.275 1 0 IKAFRN CC[C@@]1(c2ccc(F)cc2)c2c(F)c(F)ccc2N(CCOC)C(=O)N1CC(F)(F)F ZINC000064361332 563152624 /nfs/dbraw/zinc/15/26/24/563152624.db2.gz PNPJMVIUKPATDC-HXUWFJFHSA-N 0 0 446.391 5.208 1 0 IKAFRN Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c21 ZINC000064415754 563152901 /nfs/dbraw/zinc/15/29/01/563152901.db2.gz ILXHDTBTNRIASC-UHFFFAOYSA-N 0 0 438.285 5.167 1 0 IKAFRN CC1(C)C(c2ccccc2)=NN(C(=O)COc2cccc3cccnc32)[C@@H]1c1ccccc1 ZINC000064426627 563152969 /nfs/dbraw/zinc/15/29/69/563152969.db2.gz BQDKLQQUIVAFHC-HHHXNRCGSA-N 0 0 435.527 5.628 1 0 IKAFRN COc1cc(CC2c3c(Cl)cccc3C(=O)c3cccc(Cl)c32)cc(OC)c1OC ZINC000064436915 563153048 /nfs/dbraw/zinc/15/30/48/563153048.db2.gz DQFYWPGKTKVAJA-UHFFFAOYSA-N 0 0 443.326 5.938 1 0 IKAFRN COc1ccc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc43)c2)cc1 ZINC000064437088 563153059 /nfs/dbraw/zinc/15/30/59/563153059.db2.gz MRACQFYZGWSBCK-UHFFFAOYSA-N 0 0 446.463 5.092 1 0 IKAFRN O=c1c(Cc2ccc(Cl)cc2)nnc2scc(-c3cc(F)c(Cl)cc3Cl)n21 ZINC000064446988 563153138 /nfs/dbraw/zinc/15/31/38/563153138.db2.gz MMQAGYXLVYBBQC-UHFFFAOYSA-N 0 0 440.714 5.508 1 0 IKAFRN CC(C)(C)OC(=O)CCC[C@@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C ZINC000064491939 563153762 /nfs/dbraw/zinc/15/37/62/563153762.db2.gz KFWWSTHHZODBJC-IBGZPJMESA-N 0 0 435.605 5.812 1 0 IKAFRN Clc1ccc(OCc2ccccc2-c2nnc(-c3cccc(Br)c3)o2)cc1 ZINC000064453421 563153525 /nfs/dbraw/zinc/15/35/25/563153525.db2.gz PIQONYYLTUYNLU-UHFFFAOYSA-N 0 0 441.712 6.399 1 0 IKAFRN c1c2ccccc2oc1-c1nn(-c2ccccc2)cc1[C@H]1CC(c2cc3ccccc3o2)=NO1 ZINC000064453830 563153597 /nfs/dbraw/zinc/15/35/97/563153597.db2.gz DSVIGYUKGLTDCE-RUZDIDTESA-N 0 0 445.478 6.897 1 0 IKAFRN COc1ccc(/C=C(/c2ccc3ccccc3c2)c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000064510769 563153973 /nfs/dbraw/zinc/15/39/73/563153973.db2.gz WNYYAORRXJVWIN-QRVIBDJDSA-N 0 0 442.511 6.169 1 0 IKAFRN COc1ccc(/C=C(/c2ccc(OC)c(F)c2)c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000064510533 563154028 /nfs/dbraw/zinc/15/40/28/563154028.db2.gz GNRHUVUFOOQHQM-ZDLGFXPLSA-N 0 0 440.467 5.163 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(CNc1cccc2ccccc21)C(F)(F)F ZINC000064526551 563154389 /nfs/dbraw/zinc/15/43/89/563154389.db2.gz ORZKYLGIGBLKSG-QHCPKHFHSA-N 0 0 435.461 6.061 1 0 IKAFRN O=C(Nc1cccc(Cc2ccccc2)c1)Nc1cccn(Cc2ccccc2Cl)c1=O ZINC000064526607 563154445 /nfs/dbraw/zinc/15/44/45/563154445.db2.gz HXGSBZSKQYXADT-UHFFFAOYSA-N 0 0 443.934 5.785 1 0 IKAFRN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)C(F)=Cc3ccccc3)c2)[nH]1 ZINC000064527138 563154498 /nfs/dbraw/zinc/15/44/98/563154498.db2.gz HINGSEQBRLWRIP-UYRXBGFRSA-N 0 0 448.498 5.949 1 0 IKAFRN O=C1C=C(OCc2ccc(Br)cc2)C=C2OC(c3ccccc3)C(=O)C(O)=C12 ZINC000064540519 563155337 /nfs/dbraw/zinc/15/53/37/563155337.db2.gz JWGSWKNOTOWWHD-UHFFFAOYSA-N 0 0 439.261 5.213 1 0 IKAFRN O=C1OC2(CN1c1ccccc1F)CCC(c1nc3cc(OC(F)(F)F)ccc3[nH]1)CC2 ZINC000064548876 563155499 /nfs/dbraw/zinc/15/54/99/563155499.db2.gz FFHHVAVTPWLQJT-UHFFFAOYSA-N 0 0 449.404 5.654 1 0 IKAFRN Cc1ccccc1-c1ccc(CCC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000064548805 563155511 /nfs/dbraw/zinc/15/55/11/563155511.db2.gz GPCXDVCXOPRWCQ-MHZLTWQESA-N 0 0 435.571 6.348 1 0 IKAFRN CC(C)(C)c1c[nH]c(C(=O)[C@@H]2CCCN2C(=O)CCc2ccc(-c3ccccc3)cc2)n1 ZINC000064549140 563155609 /nfs/dbraw/zinc/15/56/09/563155609.db2.gz STQVLMJJOHBUKI-QFIPXVFZSA-N 0 0 429.564 5.181 1 0 IKAFRN COc1c(F)c(F)cc2c(=O)c(-c3nnc(Nc4ccc(Cl)cc4)o3)cn(C3CC3)c21 ZINC000064549447 563155710 /nfs/dbraw/zinc/15/57/10/563155710.db2.gz DOLLCKGGDLAHBF-UHFFFAOYSA-N 0 0 444.825 5.070 1 0 IKAFRN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2cnccc2n3C(=O)OC(C)(C)C)cc1 ZINC000064559324 563155961 /nfs/dbraw/zinc/15/59/61/563155961.db2.gz NYSLZWFXKUPUMN-UHFFFAOYSA-N 0 0 437.521 5.082 1 0 IKAFRN O=C1OC2(CN1c1cccc(F)n1)CCC(c1nc3cc(C(F)(F)F)ccc3[nH]1)CC2 ZINC000064559476 563156020 /nfs/dbraw/zinc/15/60/20/563156020.db2.gz CZTLAQBTSSYVJP-UHFFFAOYSA-N 0 0 434.393 5.169 1 0 IKAFRN Cc1ncccc1N1CC2(CCC(c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)OC1=O ZINC000064573624 563156489 /nfs/dbraw/zinc/15/64/89/563156489.db2.gz BXUWIRFXQNUOEB-UHFFFAOYSA-N 0 0 446.429 5.218 1 0 IKAFRN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1c1nc(Cl)cc(Cl)n1 ZINC000064637978 563156607 /nfs/dbraw/zinc/15/66/07/563156607.db2.gz HHMVKSLPSQWOFM-OAQYLSRUSA-N 0 0 425.319 5.425 1 0 IKAFRN CC[C@H](NC(=O)c1c2cccc(F)c2nc(-c2ccccc2)c1[S@](C)=O)c1ccccc1 ZINC000066066673 563157188 /nfs/dbraw/zinc/15/71/88/563157188.db2.gz GLZIAHGQHCQKEZ-GFJKYASSSA-N 0 0 446.547 5.659 1 0 IKAFRN CC(C)=C[C@@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 ZINC000066066571 563157194 /nfs/dbraw/zinc/15/71/94/563157194.db2.gz WAGHSYJXJAHWPX-VFTVYWMSSA-N 0 0 438.696 7.532 1 0 in-vitro IKAFRN COC1(c2cccc(CNc3cc(Cl)ccc3OCc3ccccc3)c2)CCOCC1 ZINC000066074659 563157394 /nfs/dbraw/zinc/15/73/94/563157394.db2.gz ULQIXNNBCPCBFB-UHFFFAOYSA-N 0 0 437.967 6.183 1 0 IKAFRN O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCN(c4ccccc4)CC3)ccc12 ZINC000066077305 563157676 /nfs/dbraw/zinc/15/76/76/563157676.db2.gz JODYTCTXNHAODA-UHFFFAOYSA-N 0 0 440.543 5.051 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2cccc(F)c2)c1[S@@](C)=O)c1ccccc1 ZINC000066077443 563157679 /nfs/dbraw/zinc/15/76/79/563157679.db2.gz NPKZRAKVLIOXGJ-MNAQKMTRSA-N 0 0 446.547 5.659 1 0 IKAFRN CC(C)(C)N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)c(Cl)c3)N2C1=O ZINC000066101865 563158388 /nfs/dbraw/zinc/15/83/88/563158388.db2.gz MBKPBFCCOYUWQK-AZUAARDMSA-N 0 0 442.346 5.552 1 0 IKAFRN CC(C)(C)NC(=O)Cn1c(-c2ccccc2)cc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21 ZINC000066102354 563158465 /nfs/dbraw/zinc/15/84/65/563158465.db2.gz PFOCNQRWWASAAD-UHFFFAOYSA-N 0 0 447.623 5.415 1 0 IKAFRN Cc1ccc(CN2C(=O)c3ccccc3[C@@]2(O[C@H]2C=C[C@@H](O)C2)c2ccc(Cl)cc2)cc1 ZINC000066102842 563158548 /nfs/dbraw/zinc/15/85/48/563158548.db2.gz GQWCFDLMBXJXGH-KHVXQDHOSA-N 0 0 445.946 5.212 1 0 IKAFRN C/C=C/C=C/C(=O)OCCc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl ZINC000066104748 563158727 /nfs/dbraw/zinc/15/87/27/563158727.db2.gz YFIYHURIJYSUNH-DSXPNFDZSA-N 0 0 428.315 5.720 1 0 IKAFRN CC[C@]1(c2ccc(CSc3ccccc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111588 563158817 /nfs/dbraw/zinc/15/88/17/563158817.db2.gz SWGXYEDZLLHJJV-HHHXNRCGSA-N 0 0 425.553 6.650 1 0 IKAFRN CC[C@]1(c2ccc(CSc3ccc(F)cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111610 563158849 /nfs/dbraw/zinc/15/88/49/563158849.db2.gz UEKVYQRCICRDNH-HHHXNRCGSA-N 0 0 443.543 6.789 1 0 IKAFRN CC(C)(C)N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(Cl)cc3Cl)N2C1=O ZINC000066113032 563159082 /nfs/dbraw/zinc/15/90/82/563159082.db2.gz QWVBWSABLKPVJO-QUCCMNQESA-N 0 0 442.346 5.552 1 0 IKAFRN CCC(CC)(NC(=O)c1cnn2c1N[C@H](c1ccccc1)CC2(C)C)c1ccc(F)cc1 ZINC000066122888 563159281 /nfs/dbraw/zinc/15/92/81/563159281.db2.gz RENDLWLVEWQODR-QFIPXVFZSA-N 0 0 434.559 5.760 1 0 IKAFRN Cc1ccc(CN2C(=O)c3ccccc3[C@]2(OCC2(CO)CC2)c2ccc(Cl)cc2)cc1 ZINC000066122835 563159287 /nfs/dbraw/zinc/15/92/87/563159287.db2.gz VDXUMNSICCELMX-HHHXNRCGSA-N 0 0 447.962 5.295 1 0 IKAFRN CCC(CC)(NC(=O)c1cnn2c1N[C@H](c1ccccc1)CC2(C)C)c1cccc(F)c1 ZINC000066123320 563159356 /nfs/dbraw/zinc/15/93/56/563159356.db2.gz AFJKHMXICXLERW-QFIPXVFZSA-N 0 0 434.559 5.760 1 0 IKAFRN CC[C@@]1(c2ccc(CSc3cccc(F)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123179 563159357 /nfs/dbraw/zinc/15/93/57/563159357.db2.gz CSDRDVVNWWLQRC-MHZLTWQESA-N 0 0 443.543 6.789 1 0 IKAFRN CCC(=O)OCC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2 ZINC000066123220 563159364 /nfs/dbraw/zinc/15/93/64/563159364.db2.gz IWCACQWMSHZXOH-UHFFFAOYSA-N 0 0 435.951 6.194 1 0 IKAFRN CC1=CC[C@H](COc2ccccc2)O[C@@]2(C1)c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000066136660 563159513 /nfs/dbraw/zinc/15/95/13/563159513.db2.gz ZQIJUFOQOUADII-YWEHKCAJSA-N 0 0 443.518 5.772 1 0 IKAFRN COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)NC1CCCC1)C2=O ZINC000066136540 563159536 /nfs/dbraw/zinc/15/95/36/563159536.db2.gz CELDEWSNNCPJDH-SFTDATJTSA-N 0 0 449.425 5.068 1 0 IKAFRN CC(C)(C)c1cc(C(=S)NCc2ccc(F)c(C(F)(F)F)c2)cc(C(C)(C)C)c1 ZINC000066166000 563159663 /nfs/dbraw/zinc/15/96/63/563159663.db2.gz USUIVANRBBDKHF-UHFFFAOYSA-N 0 0 425.535 6.905 1 0 IKAFRN C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000066251016 563159851 /nfs/dbraw/zinc/15/98/51/563159851.db2.gz QBUHMHYOJMSWCT-GQDZGCLGSA-N 0 0 444.744 7.220 1 0 IKAFRN Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1 ZINC000066251093 563159889 /nfs/dbraw/zinc/15/98/89/563159889.db2.gz XTYJMYAPXMJMPN-UHFFFAOYSA-N 0 0 428.532 5.570 1 0 IKAFRN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000066252695 563160136 /nfs/dbraw/zinc/16/01/36/563160136.db2.gz RJMCYNLDMAFQAC-SANMLTNESA-N 0 0 443.547 5.761 1 0 IKAFRN O=C([O-])[C@@H]1CCC[N@H+](CC/C=C(/c2ccccc2F)c2ccccc2Br)C1 ZINC000066258569 563160300 /nfs/dbraw/zinc/16/03/00/563160300.db2.gz DVLXIBNWLQXDTG-FCNRDGCESA-N 0 0 432.333 5.207 1 0 IKAFRN Clc1ccc(-c2ccc(-c3nc(NCc4cccnc4)nc4ccccc43)s2)cc1 ZINC000066258970 563160423 /nfs/dbraw/zinc/16/04/23/563160423.db2.gz NJGLOAMWAKGKGB-UHFFFAOYSA-N 0 0 428.948 6.686 1 0 IKAFRN COc1ccc(F)cc1-c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000066259739 563160620 /nfs/dbraw/zinc/16/06/20/563160620.db2.gz LQJSWKLYWJTVIX-UHFFFAOYSA-N 0 0 440.323 5.287 1 0 IKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=S)cc1-c1ccccc1 ZINC000066260141 563160658 /nfs/dbraw/zinc/16/06/58/563160658.db2.gz BHEHZUIHMUOESF-UHFFFAOYSA-N 0 0 434.649 6.773 1 0 IKAFRN COc1cc(C(=O)c2sc3ccccc3c2Nc2ccc(C)cc2)cc(OC)c1OC ZINC000066259855 563160662 /nfs/dbraw/zinc/16/06/62/563160662.db2.gz SDUGKXOXJGRRHJ-UHFFFAOYSA-N 0 0 433.529 6.210 1 0 IKAFRN COc1ccc(-c2c3ccccc3sc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066262587 563160895 /nfs/dbraw/zinc/16/08/95/563160895.db2.gz JPOAPJZQJYEWHD-UHFFFAOYSA-N 0 0 434.513 5.834 1 0 IKAFRN FC(F)(F)Oc1ccccc1CNCc1coc(-c2ccc(Br)cc2)n1 ZINC000072142368 563164691 /nfs/dbraw/zinc/16/46/91/563164691.db2.gz VFOMLMYONBQUPE-UHFFFAOYSA-N 0 0 427.220 5.293 1 0 IKAFRN COc1ccc(-c2ccn(-c3cc(F)c(O)c(F)c3)c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000071295212 563161634 /nfs/dbraw/zinc/16/16/34/563161634.db2.gz XSVNHICTJASRLV-UHFFFAOYSA-N 0 0 434.442 5.211 1 0 IKAFRN CCCN1CCc2c3cc(OCc4ccccc4)ccc3[nH]c2[C@@H]1c1cccc(OC)c1 ZINC000071296143 563161659 /nfs/dbraw/zinc/16/16/59/563161659.db2.gz XLSYPKWYGXDJLB-NDEPHWFRSA-N 0 0 426.560 6.113 1 0 IKAFRN COC(=O)c1cccc(-c2cnc(C(=O)[C@@H]3CCc4cc(-c5ccccc5)ccc4C3)o2)n1 ZINC000071296750 563161776 /nfs/dbraw/zinc/16/17/76/563161776.db2.gz XCJYQTBTCKPUDK-OAQYLSRUSA-N 0 0 438.483 5.178 1 0 IKAFRN CO[C@@H]1OCC2=CC[C@H]3[C@]4(C)CC[C@H]5C(C)(C)CCC[C@]5(C)[C@H]4C[C@@H](OC(C)=O)[C@]3(C)[C@H]21 ZINC000071296624 563161815 /nfs/dbraw/zinc/16/18/15/563161815.db2.gz MGLNUFHGBIDJLB-NWLMTDSXSA-N 0 0 444.656 6.142 1 0 in-vitro IKAFRN COc1ccnc2ccc(-c3cnn(CC(=O)Nc4ccccc4)c3-c3cccc(C)n3)cc21 ZINC000071296735 563161828 /nfs/dbraw/zinc/16/18/28/563161828.db2.gz IJIPBYSVWMXNOB-UHFFFAOYSA-N 0 0 449.514 5.116 1 0 IKAFRN COc1cc(-c2cccnc2)ccc1-c1nnc(C2(c3ccc(Cl)cc3)CCC2)n1C ZINC000071315878 563161899 /nfs/dbraw/zinc/16/18/99/563161899.db2.gz RBGKTPBXYABVOH-UHFFFAOYSA-N 0 0 430.939 5.676 1 0 IKAFRN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)c2cc3ccccc3o2)cc1OC ZINC000071316454 563161953 /nfs/dbraw/zinc/16/19/53/563161953.db2.gz VKIHYUYTSGSAMI-NRFANRHFSA-N 0 0 444.462 5.581 1 0 IKAFRN CC(C)(C)c1ccc(NC(=O)N2CCCN(C(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000071319349 563162282 /nfs/dbraw/zinc/16/22/82/563162282.db2.gz OLJLWTWDLVDDKS-UHFFFAOYSA-N 0 0 448.394 5.671 1 0 IKAFRN Cc1ccc(CN2[C@@H](C)[C@H](c3ccccc3)Oc3c(Cl)cccc3S2(=O)=O)cc1 ZINC000072104371 563162902 /nfs/dbraw/zinc/16/29/02/563162902.db2.gz YRFOTINEDXBDAF-HTAPYJJXSA-N 0 0 427.953 5.362 1 0 IKAFRN CCCCCCc1cc(Cc2ccc(Cl)cc2)c(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 ZINC000072106105 563162953 /nfs/dbraw/zinc/16/29/53/563162953.db2.gz AKJWUBPFPZDGAR-ONUIUJJFSA-N 0 0 448.010 7.084 1 0 IKAFRN O=C(/C=C/c1ccccc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000072106611 563163091 /nfs/dbraw/zinc/16/30/91/563163091.db2.gz ZQQIQEWKOSPEFC-FMIVXFBMSA-N 0 0 445.320 5.788 1 0 IKAFRN CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2cccs2)cs1)C1CCCCC1 ZINC000072108576 563163138 /nfs/dbraw/zinc/16/31/38/563163138.db2.gz MDOAUVINWWLMCR-UHFFFAOYSA-N 0 0 437.594 5.621 1 0 IKAFRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 ZINC000072108595 563163146 /nfs/dbraw/zinc/16/31/46/563163146.db2.gz RJPBTSMSUMSUSP-IZZDOVSWSA-N 0 0 435.314 6.332 1 0 IKAFRN CCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072108607 563163169 /nfs/dbraw/zinc/16/31/69/563163169.db2.gz PGTZWGWGXZPIHL-QHCPKHFHSA-N 0 0 448.320 5.380 1 0 IKAFRN CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@]1(CC2)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000072110365 563163315 /nfs/dbraw/zinc/16/33/15/563163315.db2.gz QTNQHDPCTDYNED-ANAQZDLVSA-N 0 0 442.596 6.075 1 0 IKAFRN O=C(Nc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000072112375 563163444 /nfs/dbraw/zinc/16/34/44/563163444.db2.gz LBXDGMKUDVNKEO-UHFFFAOYSA-N 0 0 442.729 7.845 1 0 IKAFRN C[C@@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000072121471 563163887 /nfs/dbraw/zinc/16/38/87/563163887.db2.gz ISHYWYJLCKNVGD-QVKFZJNVSA-N 0 0 431.916 5.192 1 0 IKAFRN Fc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2C(F)(F)F)cc1 ZINC000072121468 563163926 /nfs/dbraw/zinc/16/39/26/563163926.db2.gz SLOJKZJGLZOGEC-UHFFFAOYSA-N 0 0 449.245 6.513 3 0 IKAFRN COc1ccc(-n2c3nc(C)nc(NC(C4CC4)C4CC4)c3nc2C2CC(F)(F)C2)cc1 ZINC000072122835 563163965 /nfs/dbraw/zinc/16/39/65/563163965.db2.gz NTHFTLKKUFFWIM-UHFFFAOYSA-N 0 0 439.510 5.246 1 0 IKAFRN C[C@@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000072136455 563164195 /nfs/dbraw/zinc/16/41/95/563164195.db2.gz WEPDOROMUPGPKS-VFNWGFHPSA-N 0 0 431.916 5.192 1 0 IKAFRN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 ZINC000072141228 563164592 /nfs/dbraw/zinc/16/45/92/563164592.db2.gz ZSINYMLZHQIEQX-UHFFFAOYSA-N 0 0 428.241 5.675 3 0 IKAFRN O=NN1[C@@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000072142390 563164677 /nfs/dbraw/zinc/16/46/77/563164677.db2.gz YQNVENJYPXQQMB-WWNPGLIZSA-N 0 0 425.315 6.516 1 0 IKAFRN FC(F)(F)Oc1ccc(-c2nc(CN3CCN(C/C=C/c4ccccc4)CC3)co2)cc1 ZINC000072142682 563164759 /nfs/dbraw/zinc/16/47/59/563164759.db2.gz KXUZUUIMARWGSN-QPJJXVBHSA-N 0 0 443.469 5.071 1 0 IKAFRN C[C@H]1CN(C(=O)Nc2ccccc2Cl)CC[C@@H]1c1nc(-c2ccc3ccccc3n2)no1 ZINC000072142769 563164886 /nfs/dbraw/zinc/16/48/86/563164886.db2.gz BMMFFGHJPCJSJK-RDJZCZTQSA-N 0 0 447.926 5.596 1 0 IKAFRN Nc1nc(-c2ccc3ccccc3c2)c2c(n1)/C(=C/c1ccc3ccccc3c1)CCCC2 ZINC000072176180 563165603 /nfs/dbraw/zinc/16/56/03/563165603.db2.gz SGPFUGIYQCQPCE-XIEYBQDHSA-N 0 0 427.551 7.299 1 0 IKAFRN Cc1cn(-c2ccc(-c3ccc(N[C@@H](C)c4ccc(F)cc4)nc3)cc2-c2ccccc2)cn1 ZINC000072176477 563165708 /nfs/dbraw/zinc/16/57/08/563165708.db2.gz AJQPFWLUWDHKQO-NRFANRHFSA-N 0 0 448.545 7.222 1 0 IKAFRN CCc1c(=O)[nH]c(SCc2ccc(Cl)cc2)nc1CN1CCCc2ccccc21 ZINC000072176773 563165781 /nfs/dbraw/zinc/16/57/81/563165781.db2.gz UHXPQNFXJRTUPT-UHFFFAOYSA-N 0 0 425.985 5.231 1 0 IKAFRN COc1ccc(-c2oc3ccc(C)cc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000072177002 563165851 /nfs/dbraw/zinc/16/58/51/563165851.db2.gz QCLFSAOROIEVHX-UHFFFAOYSA-N 0 0 432.472 5.674 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@@H](c3ccc(F)cc3)[C@H]1C2 ZINC000072177071 563165881 /nfs/dbraw/zinc/16/58/81/563165881.db2.gz KVNYHKNLTXXKRM-RDPSFJRHSA-N 0 0 449.457 5.147 1 0 IKAFRN Cc1cc(-c2ccc(Cl)cc2)n(-c2cc3nc(C)cc(-c4ccc(Cl)cc4)n3n2)n1 ZINC000072177296 563165954 /nfs/dbraw/zinc/16/59/54/563165954.db2.gz FFUJFKPPRIIHIH-UHFFFAOYSA-N 0 0 434.330 6.173 1 0 IKAFRN COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000072177472 563166017 /nfs/dbraw/zinc/16/60/17/563166017.db2.gz YBUVLRVXWRFFPY-AREMUKBSSA-N 0 0 439.584 6.791 1 0 IKAFRN Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C(=O)NCC3CCCCC3)C(C)C)cc2c1 ZINC000072177453 563166023 /nfs/dbraw/zinc/16/60/23/563166023.db2.gz MUOYKKPOPPKXNF-AREMUKBSSA-N 0 0 443.635 6.304 1 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(Br)cc1 ZINC000072177494 563166041 /nfs/dbraw/zinc/16/60/41/563166041.db2.gz LJEPZRJOTZTQFW-WJGLBBAVSA-N 0 0 441.409 5.985 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CCn4c(=O)c5ccccc5c(=O)n4[C@@H]3CC[C@@]21C ZINC000072177830 563166114 /nfs/dbraw/zinc/16/61/14/563166114.db2.gz ZUQMQZYPRKBIJQ-PGQLAKNHSA-N 0 0 434.624 5.933 1 0 IKAFRN CO[C@H]1O[C@H](C)[C@@H](C)c2c(C)c3c(c(O)c21)[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)cc(c21)O3 ZINC000072179523 563166515 /nfs/dbraw/zinc/16/65/15/563166515.db2.gz VSZGJLCADUYDAO-WDVKHEKJSA-N 0 0 426.509 5.599 1 0 IKAFRN O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3nccc4ccccc43)no2)CC1 ZINC000072179444 563166573 /nfs/dbraw/zinc/16/65/73/563166573.db2.gz IPMWETUBBXZFJN-UHFFFAOYSA-N 0 0 433.899 5.350 1 0 IKAFRN Cc1[nH]c(CO)c(Cl)c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000072179544 563166574 /nfs/dbraw/zinc/16/65/74/563166574.db2.gz PBBRXPIBBBJNSH-UHFFFAOYSA-N 0 0 425.790 5.187 1 0 IKAFRN O=C(NCCc1ccccc1Cl)c1cc(-c2ccc(C(F)(F)F)cn2)ccc1Cl ZINC000072180047 563166745 /nfs/dbraw/zinc/16/67/45/563166745.db2.gz OBKVOVQRLZZJGU-UHFFFAOYSA-N 0 0 439.264 6.047 1 0 IKAFRN CC[C@H](C)[C@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072180199 563166765 /nfs/dbraw/zinc/16/67/65/563166765.db2.gz RVZGSHOSWHWPMO-NVQXNPDNSA-N 0 0 431.624 6.441 1 0 IKAFRN O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072180605 563166927 /nfs/dbraw/zinc/16/69/27/563166927.db2.gz RFUYTIQPMJCNSS-UHFFFAOYSA-N 0 0 433.899 5.350 1 0 IKAFRN CC1(C)C=Cc2cc(CN(C(=O)c3ccc(Br)cc3)c3ccccc3)ccc2O1 ZINC000072181359 563167245 /nfs/dbraw/zinc/16/72/45/563167245.db2.gz XQFROWCORMEKQX-UHFFFAOYSA-N 0 0 448.360 6.480 1 0 IKAFRN CC[C@@H](C)[C@@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000072184751 563167874 /nfs/dbraw/zinc/16/78/74/563167874.db2.gz YULZIQNVMXNVSA-PXDATVDWSA-N 0 0 433.596 5.287 1 0 IKAFRN CC(C)c1ccc(NC(=O)N2CCN([C@@H](c3ccc(Cl)cc3)c3cncnc3)CC2)cc1 ZINC000072184642 563167888 /nfs/dbraw/zinc/16/78/88/563167888.db2.gz GWFLZLFYTPMBHN-DEOSSOPVSA-N 0 0 449.986 5.193 1 0 IKAFRN CC[C@H](C)[C@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072185374 563168073 /nfs/dbraw/zinc/16/80/73/563168073.db2.gz YZYGOZIGGKPNTA-RDPSFJRHSA-N 0 0 433.596 6.218 1 0 IKAFRN COc1cc2c(cc1OC)[C@H](C(C)C)N(Cc1coc(-c3ccccc3Cl)n1)CC2 ZINC000072185587 563168086 /nfs/dbraw/zinc/16/80/86/563168086.db2.gz NQGUSAYRANBZAO-QHCPKHFHSA-N 0 0 426.944 5.768 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)[C@@H](c3ccccc3)[C@H]1C2 ZINC000073140178 563168879 /nfs/dbraw/zinc/16/88/79/563168879.db2.gz CUDIYPHOFQUNMY-RDPSFJRHSA-N 0 0 447.922 5.523 1 0 IKAFRN O=c1cc(OCc2cccc(Cl)c2)oc2ccc(OCc3cccc(Cl)c3)c(O)c12 ZINC000073161915 563169467 /nfs/dbraw/zinc/16/94/67/563169467.db2.gz XBQJDLNWZMUIHZ-UHFFFAOYSA-N 0 0 443.282 5.963 1 0 IKAFRN COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(N3CCCC[C@@H]3C)n2)cc1 ZINC000073168330 563169779 /nfs/dbraw/zinc/16/97/79/563169779.db2.gz BEQLIFNTBOKQPX-INIZCTEOSA-N 0 0 437.519 5.499 1 0 IKAFRN CC(=O)Nc1ccc(CNc2ccsc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000073169058 563169780 /nfs/dbraw/zinc/16/97/80/563169780.db2.gz VEMCLQMXSDEFRB-UHFFFAOYSA-N 0 0 449.454 5.470 1 0 IKAFRN COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(N3CCCC[C@H]3C)n2)cc1 ZINC000073168324 563169784 /nfs/dbraw/zinc/16/97/84/563169784.db2.gz BEQLIFNTBOKQPX-MRXNPFEDSA-N 0 0 437.519 5.499 1 0 IKAFRN COc1ccc2nc(NC(=O)c3cccnc3Nc3cc(F)c(F)c(F)c3)sc2c1 ZINC000073198409 563169989 /nfs/dbraw/zinc/16/99/89/563169989.db2.gz DKPYRDQRYUBABM-UHFFFAOYSA-N 0 0 430.411 5.113 1 0 IKAFRN O=C(CCc1ccccc1)N1CCC[C@H](COC(=O)c2ccccc2-c2ccccc2)C1 ZINC000073198790 563170069 /nfs/dbraw/zinc/17/00/69/563170069.db2.gz KEEZUZICKFFRQG-QHCPKHFHSA-N 0 0 427.544 5.382 1 0 IKAFRN O=C(O[C@@H](Cn1ccnc1)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000073198569 563170072 /nfs/dbraw/zinc/17/00/72/563170072.db2.gz FTGIKYUPZVKOCF-KRWDZBQOSA-N 0 0 428.332 5.519 1 0 IKAFRN CCc1oc2c(C)c(OCc3cccc(C(F)(F)F)c3)ccc2c(=O)c1Br ZINC000073198672 563170077 /nfs/dbraw/zinc/17/00/77/563170077.db2.gz MOVAZIIKGKFJRW-UHFFFAOYSA-N 0 0 441.243 6.024 1 0 IKAFRN COc1ccc(NC(=O)NCc2ccc(C(=O)N3CCC(c4ccccc4)CC3)cc2)cc1 ZINC000073242991 563171388 /nfs/dbraw/zinc/17/13/88/563171388.db2.gz WTRLCNMGBZAJIB-UHFFFAOYSA-N 0 0 443.547 5.037 1 0 IKAFRN C[C@H]1CCCCN1C(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073257749 563171391 /nfs/dbraw/zinc/17/13/91/563171391.db2.gz RAXGEMNHDSGMEN-MGPUTAFESA-N 0 0 434.367 5.173 1 0 IKAFRN CC1=C(C[NH+]2CC(C(=O)[O-])C2)CCc2cc(OC[C@@H](C)Cc3ccc(Cl)cc3)ccc21 ZINC000073275270 563171543 /nfs/dbraw/zinc/17/15/43/563171543.db2.gz MVSWRSTUADVPPO-KRWDZBQOSA-N 0 0 439.983 5.334 1 0 IKAFRN CCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1Nc1ccccc1 ZINC000073273836 563171591 /nfs/dbraw/zinc/17/15/91/563171591.db2.gz ITTQJVVBMZQWOB-UHFFFAOYSA-N 0 0 428.919 6.989 1 0 IKAFRN Cc1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)cc3)nc2c1 ZINC000073278247 563171721 /nfs/dbraw/zinc/17/17/21/563171721.db2.gz YJSYXVMIPSZHDT-UHFFFAOYSA-N 0 0 428.457 7.891 1 0 IKAFRN Cc1cc(-c2nc(-c3csc(C[NH+]4CC(C(=O)[O-])C4)c3)no2)ccc1Oc1ccccc1 ZINC000073278289 563171744 /nfs/dbraw/zinc/17/17/44/563171744.db2.gz UICOPSLHFMXOQP-UHFFFAOYSA-N 0 0 447.516 5.082 1 0 IKAFRN CCOc1ccc(-c2nc(C(=O)N(C3CCCCC3)C3CCCCC3)co2)cc1OCC ZINC000073277724 563171746 /nfs/dbraw/zinc/17/17/46/563171746.db2.gz ZKVGQZJGVLNTDE-UHFFFAOYSA-N 0 0 440.584 6.247 1 0 IKAFRN O=C1C=CC[C@H]2c3c(c4ccccc4n3Cc3ccccc3)C[C@H](COCc3ccccc3)N12 ZINC000073278381 563171751 /nfs/dbraw/zinc/17/17/51/563171751.db2.gz ISSLDFZURMMISS-YWEHKCAJSA-N 0 0 448.566 5.661 1 0 IKAFRN O=C(NCc1ccccc1)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073292831 563171900 /nfs/dbraw/zinc/17/19/00/563171900.db2.gz IRSFFPSIZQQYCD-OAQYLSRUSA-N 0 0 442.346 5.088 1 0 IKAFRN C[C@H]1CCCN(C(=O)N2CC(O[C@H](c3ccc(Cl)cc3)c3cccnc3Cl)C2)C1 ZINC000073293220 563171922 /nfs/dbraw/zinc/17/19/22/563171922.db2.gz SYQGKQQDUZSDHW-MGPUTAFESA-N 0 0 434.367 5.031 1 0 IKAFRN COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3ccc(O)cc3)ccc2c1 ZINC000073310541 563172218 /nfs/dbraw/zinc/17/22/18/563172218.db2.gz INKSYDPKAYIMBL-RUZDIDTESA-N 0 0 430.504 5.596 1 0 IKAFRN CCCc1ccc2c(ncnc2Nc2cc(C)ccc2Sc2ccc(NC(C)=O)cc2)n1 ZINC000073310422 563172219 /nfs/dbraw/zinc/17/22/19/563172219.db2.gz BRYSQEGXTPGNRP-UHFFFAOYSA-N 0 0 443.576 6.139 1 0 IKAFRN C[C@](NNc1ccccc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000073311566 563172266 /nfs/dbraw/zinc/17/22/66/563172266.db2.gz UQTPOBCKULZTES-RUZDIDTESA-N 0 0 445.459 6.222 1 0 IKAFRN C[C@@](Nc1ccc(O)cc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000073310902 563172275 /nfs/dbraw/zinc/17/22/75/563172275.db2.gz HUKXAGQGHJAYNC-VWLOTQADSA-N 0 0 446.443 6.423 1 0 IKAFRN COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3cccc(Cl)c3)ccc2c1 ZINC000073315207 563172442 /nfs/dbraw/zinc/17/24/42/563172442.db2.gz MPHXGQOVVSEDPA-VWLOTQADSA-N 0 0 448.950 6.543 1 0 IKAFRN CC(C)CCn1cc(C2=NS(=O)(=O)c3ccccc3N2)c2cc(Br)ccc21 ZINC000073351245 563172574 /nfs/dbraw/zinc/17/25/74/563172574.db2.gz DKFSPUDFTXHFOP-UHFFFAOYSA-N 0 0 446.370 5.011 1 0 IKAFRN CCc1ccc2c(ncnc2Nc2cc(C)ccc2Sc2ccc(NC(C)=O)cc2)n1 ZINC000073389709 563172745 /nfs/dbraw/zinc/17/27/45/563172745.db2.gz ZIPQFXIDTKRQIR-UHFFFAOYSA-N 0 0 429.549 5.749 1 0 IKAFRN Clc1cccc(Nc2ncnc3ccc(NCc4ccccc4Br)cc32)c1 ZINC000082149539 563172998 /nfs/dbraw/zinc/17/29/98/563172998.db2.gz QQCDQPNSLRTTDZ-UHFFFAOYSA-N 0 0 439.744 6.401 1 0 IKAFRN COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C4CCCCC4)c3n2)cc1 ZINC000082151950 563173368 /nfs/dbraw/zinc/17/33/68/563173368.db2.gz IPXACKINLSGATE-UHFFFAOYSA-N 0 0 432.503 5.966 1 0 IKAFRN Oc1ccccc1-c1cc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[nH]c(=S)n1 ZINC000082157559 563173747 /nfs/dbraw/zinc/17/37/47/563173747.db2.gz IIVOFRXUGYFIKP-UHFFFAOYSA-N 0 0 440.503 6.171 1 0 IKAFRN Nc1nc2cc(n1)-c1cc(c(Cl)cc1Cl)OCCCCOc1cccc(c1)S2 ZINC000082158381 563174007 /nfs/dbraw/zinc/17/40/07/563174007.db2.gz FLKKRILCGIEOOD-UHFFFAOYSA-N 0 0 434.348 5.735 1 0 IKAFRN COc1cccc2c(=O)c(C)c(-c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3)[nH]c12 ZINC000084596993 563174113 /nfs/dbraw/zinc/17/41/13/563174113.db2.gz GUQRLNYLDPHLIS-UHFFFAOYSA-N 0 0 439.433 6.002 1 0 IKAFRN CC(=O)c1c(O)c2cc(Cl)cc(C(F)(F)F)c2nc1Nc1ccc(Cl)cc1Cl ZINC000084605174 563174239 /nfs/dbraw/zinc/17/42/39/563174239.db2.gz YZXHDTKKOUGKAR-UHFFFAOYSA-N 0 0 449.643 6.866 1 0 IKAFRN COc1cc2c3c(cnc2cc1-c1c(C)noc1C)[nH]c(=O)n3-c1ccccc1C(C)(C)C ZINC000084619502 563174537 /nfs/dbraw/zinc/17/45/37/563174537.db2.gz VOXWVXCIJOFLCE-UHFFFAOYSA-N 0 0 442.519 5.445 1 0 IKAFRN CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3ccoc32)s1 ZINC000084618742 563174610 /nfs/dbraw/zinc/17/46/10/563174610.db2.gz PABIYVOMJWVHFL-UHFFFAOYSA-N 0 0 445.466 6.417 1 0 IKAFRN Cc1ccc(Cl)c(S(=O)(=O)N(c2ccc([C@](C)(O)C(F)(F)F)cc2)C(C)C)c1 ZINC000084652024 563174893 /nfs/dbraw/zinc/17/48/93/563174893.db2.gz GUGKFMXGBAWXTR-SFHVURJKSA-N 0 0 435.895 5.022 1 0 IKAFRN Cc1ccc(Cl)c(S(=O)(=O)N(c2ccc([C@@](C)(O)C(F)(F)F)cc2)C(C)C)c1 ZINC000084652025 563174896 /nfs/dbraw/zinc/17/48/96/563174896.db2.gz GUGKFMXGBAWXTR-GOSISDBHSA-N 0 0 435.895 5.022 1 0 IKAFRN CN(C)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000084652266 563174907 /nfs/dbraw/zinc/17/49/07/563174907.db2.gz JJCGXXGKBDIDSO-UHFFFAOYSA-N 0 0 445.632 5.098 1 0 IKAFRN Cc1c(=O)c2c(F)cc(F)cc2[nH]c1-c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1 ZINC000084652111 563174917 /nfs/dbraw/zinc/17/49/17/563174917.db2.gz TZARZHPLTLKOFL-UHFFFAOYSA-N 0 0 432.348 5.742 1 0 IKAFRN C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2cc(F)cc(F)c2Cl)nn1 ZINC000084652283 563174933 /nfs/dbraw/zinc/17/49/33/563174933.db2.gz UALJJHWAALMQRL-GFCCVEGCSA-N 0 0 425.891 6.854 1 0 IKAFRN Cc1c(=O)c2ccc(Cl)cc2[nH]c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000084653709 563174993 /nfs/dbraw/zinc/17/49/93/563174993.db2.gz UFBQVFRXSASNGW-UHFFFAOYSA-N 0 0 445.824 6.848 1 0 IKAFRN O=C(Nc1ccc(F)cc1)N1CCc2cc(F)ccc2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000084670185 563175115 /nfs/dbraw/zinc/17/51/15/563175115.db2.gz DTGRSUMIIUYHEO-NRFANRHFSA-N 0 0 432.392 6.163 1 0 IKAFRN COc1cc([C@@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Nc2ccccc2)ccc1O ZINC000084670046 563175119 /nfs/dbraw/zinc/17/51/19/563175119.db2.gz YSFRBKVTAWCDKZ-FQEVSTJZSA-N 0 0 427.460 5.530 1 0 IKAFRN O=C(Nc1ccc(F)cc1)N1CCc2cccc(F)c2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000084670210 563175134 /nfs/dbraw/zinc/17/51/34/563175134.db2.gz HVRHPSNLMSDOSW-NRFANRHFSA-N 0 0 432.392 6.163 1 0 IKAFRN COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1C1(c2ccccc2)CCCC1 ZINC000084670123 563175144 /nfs/dbraw/zinc/17/51/44/563175144.db2.gz DASDYORBZDTLTM-UHFFFAOYSA-N 0 0 437.539 6.461 1 0 IKAFRN COc1ccc2c(c1)c(CC(=O)Nc1ccc(Cl)cc1)c(C)n2C(=O)c1ccccc1 ZINC000084689617 563176201 /nfs/dbraw/zinc/17/62/01/563176201.db2.gz YWQXQAKRRJRHCO-UHFFFAOYSA-N 0 0 432.907 5.481 1 0 IKAFRN CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(C(F)(F)F)ccc2o1 ZINC000084689843 563176217 /nfs/dbraw/zinc/17/62/17/563176217.db2.gz FGPOSMGIWJYVKX-UHFFFAOYSA-N 0 0 433.459 5.362 1 0 IKAFRN Cc1sc(N)c(C(=O)c2cccc(C(F)(F)F)c2)c1-c1cccc(C(F)(F)F)c1 ZINC000084690009 563176327 /nfs/dbraw/zinc/17/63/27/563176327.db2.gz DJWCPKYXCCMBKD-UHFFFAOYSA-N 0 0 429.385 6.574 1 0 IKAFRN CC(=O)Oc1ccccc1Cn1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000084705367 563176841 /nfs/dbraw/zinc/17/68/41/563176841.db2.gz AIHJGPRVDUEPDV-HXUWFJFHSA-N 0 0 426.560 6.360 1 0 IKAFRN Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ncc(Br)cn2)cc1 ZINC000084706509 563176942 /nfs/dbraw/zinc/17/69/42/563176942.db2.gz AZKNVWRJUAWINJ-LJQANCHMSA-N 0 0 427.733 5.557 1 0 IKAFRN COc1cc([C@@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Nc2ccc(C)cc2)ccc1O ZINC000084709190 563177107 /nfs/dbraw/zinc/17/71/07/563177107.db2.gz RBCLTFFOOSOUBD-NRFANRHFSA-N 0 0 441.487 5.839 1 0 IKAFRN COC(=O)CCSC/C=C(\C)CCn1cc(CCc2ccc(-c3ccccc3)cc2)nn1 ZINC000084710928 563177459 /nfs/dbraw/zinc/17/74/59/563177459.db2.gz LUXQNURJPSSXSC-RCCKNPSSSA-N 0 0 449.620 5.363 1 0 IKAFRN COc1cc([C@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Nc2cccc(O)c2)ccc1O ZINC000084711648 563177606 /nfs/dbraw/zinc/17/76/06/563177606.db2.gz JXUIZGJYZFKPJU-HXUWFJFHSA-N 0 0 443.459 5.236 1 0 IKAFRN Cc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc(-c3ccoc3)cc1)S[C@@H](C)C(=O)N2 ZINC000084712846 563177640 /nfs/dbraw/zinc/17/76/40/563177640.db2.gz VYINXJZAAMDSCZ-GAJHUEQPSA-N 0 0 429.545 5.912 1 0 IKAFRN COc1ccc2c(c1)nc([C@H](C)c1ccc(CC(C)C)cc1)n2Cc1ccccc1Cl ZINC000084713234 563177759 /nfs/dbraw/zinc/17/77/59/563177759.db2.gz JPEJCNWUFQHFCB-LJQANCHMSA-N 0 0 432.995 7.097 1 0 IKAFRN Cc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)c(Cl)n1 ZINC000084714745 563177900 /nfs/dbraw/zinc/17/79/00/563177900.db2.gz PZECVPMKXWMKFV-HXUWFJFHSA-N 0 0 444.749 6.342 1 0 IKAFRN C[C@](O)(c1ccc(N(C2CCCC2)S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F ZINC000084723454 563178009 /nfs/dbraw/zinc/17/80/09/563178009.db2.gz RSZNSUZRQVPUFH-IBGZPJMESA-N 0 0 447.906 5.248 1 0 IKAFRN CCCCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc21 ZINC000084731126 563178521 /nfs/dbraw/zinc/17/85/21/563178521.db2.gz PKVNZNFVWCAYME-UHFFFAOYSA-N 0 0 440.971 5.539 1 0 IKAFRN CCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21 ZINC000084731163 563178528 /nfs/dbraw/zinc/17/85/28/563178528.db2.gz BENZMXRSXKXRMZ-UHFFFAOYSA-N 0 0 426.604 6.346 1 0 IKAFRN Cc1cc(C)c(-n2c3ccncc3nc2SCC(=O)Nc2cccnc2Cl)c(C)c1 ZINC000084731268 563178649 /nfs/dbraw/zinc/17/86/49/563178649.db2.gz OEAIFLUAPQKEFC-UHFFFAOYSA-N 0 0 437.956 5.125 1 0 IKAFRN CCc1nn2c(cccc2-c2c(C)cc(C)cc2OC)c1N(CC1CC1)C[C@H]1CCCO1 ZINC000084742484 563179297 /nfs/dbraw/zinc/17/92/97/563179297.db2.gz USJGRIDXFFAWQM-OAQYLSRUSA-N 0 0 433.596 5.585 1 0 IKAFRN CCc1nn2c(cccc2-c2c(C)cc(C)cc2OC)c1N(CC1CC1)C[C@@H]1CCCO1 ZINC000084742481 563179298 /nfs/dbraw/zinc/17/92/98/563179298.db2.gz USJGRIDXFFAWQM-NRFANRHFSA-N 0 0 433.596 5.585 1 0 IKAFRN CCOc1ccc(NC(=S)N2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000084757573 563179415 /nfs/dbraw/zinc/17/94/15/563179415.db2.gz WWMUGAUNVCWXCT-UHFFFAOYSA-N 0 0 430.617 6.326 1 0 IKAFRN COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)C)no4)c3)c2cc1OC ZINC000084758115 563179573 /nfs/dbraw/zinc/17/95/73/563179573.db2.gz IJFYJRITYUFHIZ-UHFFFAOYSA-N 0 0 449.467 5.195 1 0 IKAFRN C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000085758898 563179997 /nfs/dbraw/zinc/17/99/97/563179997.db2.gz YLPXHUMIKSOPEX-IVBAYRGLSA-N 0 0 442.728 7.450 1 0 IKAFRN Cc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)o1 ZINC000095546559 563180741 /nfs/dbraw/zinc/18/07/41/563180741.db2.gz IFEUWBHCHXKRPY-GYCJOSAFSA-N 0 0 437.561 6.337 1 0 aggregator IKAFRN COc1cc(Cn2c3ccc(C)cc3nc2-c2ccc3ccccc3c2)cc(OC)c1OC ZINC000095552130 563180756 /nfs/dbraw/zinc/18/07/56/563180756.db2.gz AQRKSBCFGGRGET-UHFFFAOYSA-N 0 0 438.527 6.239 1 0 IKAFRN CC(C)(C)CC(=O)N[C@@](Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000095552922 563180964 /nfs/dbraw/zinc/18/09/64/563180964.db2.gz VEKPYEXAFDUONM-VWLOTQADSA-N 0 0 440.509 6.139 1 0 IKAFRN CCOC(=O)c1c(O)c2cc(Cl)c(Cl)cc2nc1-c1cccc(-c2ccccc2)c1 ZINC000095553023 563181016 /nfs/dbraw/zinc/18/10/16/563181016.db2.gz SZQVSEONUQRNDF-UHFFFAOYSA-N 0 0 438.310 6.758 1 0 IKAFRN CC(C)(C)CC(=O)O[C@](Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000095552924 563181018 /nfs/dbraw/zinc/18/10/18/563181018.db2.gz NOHRUKAGQHKAAG-RUZDIDTESA-N 0 0 441.493 6.566 1 0 IKAFRN COc1ccc(-c2cc(-c3ccc(OC)cc3)n([C@@H]3C(=O)Nc4ccc(Cl)cc43)n2)cc1 ZINC000095554456 563181162 /nfs/dbraw/zinc/18/11/62/563181162.db2.gz DWNQMKFRVBABSP-DEOSSOPVSA-N 0 0 445.906 5.429 1 0 IKAFRN CCOC(=O)c1c(O)c2cc(Cl)c(OC)cc2nc1-c1cccc(-c2ccccc2)c1 ZINC000095557684 563181680 /nfs/dbraw/zinc/18/16/80/563181680.db2.gz BTUQTGCHRHYYIH-UHFFFAOYSA-N 0 0 433.891 5.701 1 0 IKAFRN C[C@@H]1SC2(CCC(c3ccccc3)CC2)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000095558643 563181767 /nfs/dbraw/zinc/18/17/67/563181767.db2.gz COHNHEZZNRSRPI-OVQLOUANSA-N 0 0 438.637 5.252 1 0 IKAFRN CCCn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc21 ZINC000095558870 563181872 /nfs/dbraw/zinc/18/18/72/563181872.db2.gz KUTCASZTMNUHMI-UHFFFAOYSA-N 0 0 439.296 6.040 1 0 IKAFRN COc1ccc2c(c1)S[C@H](c1ccc(C)cc1)[C@@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000095559111 563181919 /nfs/dbraw/zinc/18/19/19/563181919.db2.gz QQCQXWDRASCDFH-OYKXOOMRSA-N 0 0 447.603 7.733 1 0 IKAFRN Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ccccc1 ZINC000095559806 563182063 /nfs/dbraw/zinc/18/20/63/563182063.db2.gz FYHKWVXGKGRSQZ-UHFFFAOYSA-N 0 0 447.844 6.564 1 0 IKAFRN CC[C@H](C)C(=O)c1c2oc3c(c2c(O)c(C)c1O)c(O)c(C)c(O)c3C(=O)[C@@H](C)CC ZINC000095561140 563182309 /nfs/dbraw/zinc/18/23/09/563182309.db2.gz LAZMJJGHUCVICZ-UWVGGRQHSA-N 0 0 428.481 5.483 1 0 IKAFRN COCC1CCN(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1 ZINC000095560906 563182337 /nfs/dbraw/zinc/18/23/37/563182337.db2.gz UQNGKGCQRCJBTD-UHFFFAOYSA-N 0 0 447.564 5.485 1 0 IKAFRN Cc1ccc(NC(=O)Nc2cccc(Oc3ccccc3)c2)cc1NC(=O)c1ccccc1 ZINC000095561325 563182405 /nfs/dbraw/zinc/18/24/05/563182405.db2.gz GHPPZHFLKKGRSU-UHFFFAOYSA-N 0 0 437.499 6.684 1 0 IKAFRN COc1c2c(ccc1[C@H](C1CCCCC1)n1cnc3c1cccc3Cl)OC(C)(C)C=C2 ZINC000095562135 563182564 /nfs/dbraw/zinc/18/25/64/563182564.db2.gz IBOFKTAMAYMIBO-DEOSSOPVSA-N 0 0 436.983 7.052 1 0 IKAFRN COc1ccc2c(c1)S[C@H](c1ccccc1)[C@@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000095562247 563182588 /nfs/dbraw/zinc/18/25/88/563182588.db2.gz SHLQVIWIBZJTCD-IUAQSZDVSA-N 0 0 433.576 7.425 1 0 IKAFRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H]1SCC(=O)N1c1ccc(F)c(Cl)c1 ZINC000095562414 563182680 /nfs/dbraw/zinc/18/26/80/563182680.db2.gz KORFCYOHLKIMJB-IBGZPJMESA-N 0 0 439.364 6.343 1 0 IKAFRN Nc1c2c(nc3c1[C@H](c1ccc(Cl)c(Cl)c1)c1ccc4ccccc4c1O3)CCCC2 ZINC000095563270 563182845 /nfs/dbraw/zinc/18/28/45/563182845.db2.gz IFYBUPQCUTZITP-JOCHJYFZSA-N 0 0 447.365 7.289 1 0 IKAFRN Cc1cc2nc(-c3ccccc3)c(Cc3cccc(Cl)c3)n2c(C)c1Br ZINC000095566278 563183492 /nfs/dbraw/zinc/18/34/92/563183492.db2.gz ABSYBJLHAITPCG-UHFFFAOYSA-N 0 0 425.757 6.625 3 0 IKAFRN O=C1C2=C(c3ccc(C(F)(F)F)cc3)Nc3ccccc3CN2C(=O)N1Cc1ccccc1 ZINC000095566871 563183659 /nfs/dbraw/zinc/18/36/59/563183659.db2.gz RXFYHTHUDXXTPE-UHFFFAOYSA-N 0 0 449.432 5.464 3 0 IKAFRN CSc1ccc(-c2ccc3c(c2)c(Sc2ccccc2)c(-c2ccccc2)n3C)cc1 ZINC000095567155 563183682 /nfs/dbraw/zinc/18/36/82/563183682.db2.gz NWKBUHAXLZVGOJ-UHFFFAOYSA-N 0 0 437.633 8.385 3 0 IKAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3cc(Cl)c(Cl)cc3Cl)CC2)c1 ZINC000095567378 563183730 /nfs/dbraw/zinc/18/37/30/563183730.db2.gz WWILMFGMUBSMSL-UHFFFAOYSA-N 0 0 429.804 5.178 1 0 IKAFRN O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(Cl)c(Cl)c1)O[C@H](CCc1ccccc1)C2 ZINC000095567255 563183767 /nfs/dbraw/zinc/18/37/67/563183767.db2.gz AUMXPKIZKRMKRC-AUUYWEPGSA-N 0 0 433.360 5.403 3 0 IKAFRN COc1cccc(CCOC(=O)c2c(-c3ccsc3)oc3c2[C@@H](OC(C)=O)CCC3)c1 ZINC000095568380 563183933 /nfs/dbraw/zinc/18/39/33/563183933.db2.gz JWIGBYCKFWPEGL-IBGZPJMESA-N 0 0 440.517 5.357 3 0 IKAFRN Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)n1c2ccccc2nc1-c1ccccc1 ZINC000095569548 563184086 /nfs/dbraw/zinc/18/40/86/563184086.db2.gz LJSVSARTYZVNAF-HHHXNRCGSA-N 0 0 431.539 6.548 3 0 IKAFRN Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccc4ccccc43)O[C@@H]3CCCC[C@@H]32)cc1 ZINC000095569575 563184173 /nfs/dbraw/zinc/18/41/73/563184173.db2.gz DKCNPGXFXRPJFN-DMDYGQEQSA-N 0 0 449.572 5.079 3 0 IKAFRN O=C(c1ccc(-c2ccccc2)cc1)N1c2ccccc2NC(=O)[C@@H]1c1nc2ccccc2[nH]1 ZINC000095570090 563184245 /nfs/dbraw/zinc/18/42/45/563184245.db2.gz NJRIOUJRZVPDRI-VWLOTQADSA-N 0 0 444.494 5.570 3 0 IKAFRN O=C(NCc1ccccc1)[C@H](C1CC1)n1c(Cc2cc(F)cc(F)c2)nc2ccccc21 ZINC000095571236 563184411 /nfs/dbraw/zinc/18/44/11/563184411.db2.gz PPBFXGBHWVTLHP-VWLOTQADSA-N 0 0 431.486 5.173 3 0 IKAFRN Cc1csc(-c2nc3ccccc3n2[C@@H](C(=O)NC(C)(C)C)c2cc3ccccc3o2)c1 ZINC000095571339 563184489 /nfs/dbraw/zinc/18/44/89/563184489.db2.gz WBCFCBIAAJQAMF-HSZRJFAPSA-N 0 0 443.572 6.324 3 0 IKAFRN COc1ccc([C@@H](C(=O)NCc2ccccc2)n2c3ccccc3nc2-c2ccccn2)cc1 ZINC000095571475 563184521 /nfs/dbraw/zinc/18/45/21/563184521.db2.gz TYSNLFPYTRSXDO-SANMLTNESA-N 0 0 448.526 5.013 3 0 IKAFRN COc1ccc(Cc2c(C3CCCCC3)nc3cc(C)c(Br)c(C)n32)c(C)c1 ZINC000095571266 563184532 /nfs/dbraw/zinc/18/45/32/563184532.db2.gz DIFZNLAAQRZZEW-UHFFFAOYSA-N 0 0 441.413 6.669 3 0 IKAFRN S=C(Sc1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000095572568 563184900 /nfs/dbraw/zinc/18/49/00/563184900.db2.gz FSLZHUZRXIJHDS-UHFFFAOYSA-N 0 0 439.049 6.124 1 0 IKAFRN COc1cccc(-n2nc3c(cccc3Nc3ccc(-n4cnc(C)c4)c(OC)c3)c2C)c1 ZINC000095573367 563185010 /nfs/dbraw/zinc/18/50/10/563185010.db2.gz HHCGWONBKCJWOU-UHFFFAOYSA-N 0 0 439.519 5.589 1 0 IKAFRN Cc1ccc(NC(=O)c2ccccc2)cc1Nc1ccc2c(c1)OCc1ccccc1C2=O ZINC000095573466 563185145 /nfs/dbraw/zinc/18/51/45/563185145.db2.gz PZHNBWNUWCABTC-UHFFFAOYSA-N 0 0 434.495 6.114 1 0 IKAFRN CCCCc1cn(C[C@@H](OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1 ZINC000095573774 563185176 /nfs/dbraw/zinc/18/51/76/563185176.db2.gz JQKLNAWGKTVRDN-OAQYLSRUSA-N 0 0 438.786 6.539 1 0 IKAFRN Clc1cccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)s3)cc2)c1 ZINC000095574233 563185262 /nfs/dbraw/zinc/18/52/62/563185262.db2.gz QYSVUPPSENSKRI-UHFFFAOYSA-N 0 0 442.975 6.644 1 0 IKAFRN CCCO[C@@H]1c2ccc3c(c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]21)C=CC(C)(C)O3 ZINC000095574065 563185274 /nfs/dbraw/zinc/18/52/74/563185274.db2.gz CGLLSAPYVNUNMJ-GIFXNVAJSA-N 0 0 438.520 5.293 1 0 IKAFRN Cc1ncc(CO)c(-c2nc3ccccn3c2NC2CCCCC2)c1OCc1ccccc1 ZINC000095574466 563185329 /nfs/dbraw/zinc/18/53/29/563185329.db2.gz WYJFZRSRLZXGGC-UHFFFAOYSA-N 0 0 442.563 5.521 1 0 IKAFRN O=C(Nc1cc(Nc2ccc3c(c2)OCc2ccccc2C3=O)ccc1F)c1ccccc1 ZINC000095574652 563185408 /nfs/dbraw/zinc/18/54/08/563185408.db2.gz GQEGYMPXVAKBAF-UHFFFAOYSA-N 0 0 438.458 5.945 1 0 IKAFRN Fc1ccc(-c2ccc(-c3n[nH]c(CCCc4ccc5cccnc5n4)n3)cc2)cc1Cl ZINC000095574855 563185445 /nfs/dbraw/zinc/18/54/45/563185445.db2.gz LNDNFYQUYLNMEY-UHFFFAOYSA-N 0 0 443.913 6.050 1 0 IKAFRN O=C(Nc1cccc(Nc2ccc3c(c2)CCCCC3=O)c1)c1cccc(C(F)(F)F)c1 ZINC000095575266 563185617 /nfs/dbraw/zinc/18/56/17/563185617.db2.gz ZNGGDYPWJCEWCV-UHFFFAOYSA-N 0 0 438.449 6.610 1 0 IKAFRN COc1cc(Nc2cccc3cn(Cc4ccc(F)cc4)nc32)ccc1-n1cnc(C)c1 ZINC000095576401 563185934 /nfs/dbraw/zinc/18/59/34/563185934.db2.gz UOTIXMXOYZCICU-UHFFFAOYSA-N 0 0 427.483 5.470 1 0 IKAFRN Cn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000095576678 563186016 /nfs/dbraw/zinc/18/60/16/563186016.db2.gz MJLVEHGDNFWHFO-MFTACUCHSA-N 0 0 446.616 5.634 1 0 IKAFRN COc1cccc(-c2cn3cccc(Nc4ccc(-n5cnc(C)c5)c(OC)c4)c3n2)c1 ZINC000095577078 563186167 /nfs/dbraw/zinc/18/61/67/563186167.db2.gz KKTKXODALPAAFH-UHFFFAOYSA-N 0 0 425.492 5.256 1 0 IKAFRN O=C(N[C@@H]1CCN(CCSc2cccc(Cl)c2Cl)C1)c1ccc2ccccc2n1 ZINC000095577843 563186466 /nfs/dbraw/zinc/18/64/66/563186466.db2.gz FUOKCOLCLIHXST-MRXNPFEDSA-N 0 0 446.403 5.138 1 0 IKAFRN Cc1cccc(NC(=O)Oc2ccc3c(c2)CCCN3Cc2ccc(Cl)cc2Cl)c1 ZINC000095578363 563186588 /nfs/dbraw/zinc/18/65/88/563186588.db2.gz HGVFXLPEBMOLBA-UHFFFAOYSA-N 0 0 441.358 6.866 1 0 IKAFRN COc1cc([C@@H]2C[C@]23CCCN([C@@H](C)c2ccc(F)cc2)C3=O)ccc1-n1cnc(C)c1 ZINC000095578921 563186902 /nfs/dbraw/zinc/18/69/02/563186902.db2.gz CINAODWEFYFMCD-HBTLOVQCSA-N 0 0 433.527 5.186 1 0 IKAFRN O=C(Nc1cccc(Nc2ccc3c(c2)OCc2ccccc2C3=O)c1)c1ccsc1 ZINC000095579764 563187118 /nfs/dbraw/zinc/18/71/18/563187118.db2.gz CXZTZZVPHHWQJL-UHFFFAOYSA-N 0 0 426.497 5.867 1 0 IKAFRN COc1cccc(-n2cc3cccc(Nc4ccc(-n5cnc(C)c5)c(OC)c4)c3n2)c1 ZINC000095580247 563187291 /nfs/dbraw/zinc/18/72/91/563187291.db2.gz DKRNLLWDQREMQK-UHFFFAOYSA-N 0 0 425.492 5.280 1 0 IKAFRN Cc1ccccc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095580330 563187295 /nfs/dbraw/zinc/18/72/95/563187295.db2.gz PAZJBVFXRYEEQB-QHCPKHFHSA-N 0 0 438.568 5.427 3 0 IKAFRN Brc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc4ccccc4c3)C2)cc1 ZINC000095582950 563188136 /nfs/dbraw/zinc/18/81/36/563188136.db2.gz ZFTKFOAKOQEOAJ-VWLOTQADSA-N 0 0 427.345 6.958 1 0 IKAFRN Cc1ccc(-c2noc(CSc3ncc(-c4ccncc4)n3-c3ccccc3C)n2)cc1 ZINC000095583054 563188186 /nfs/dbraw/zinc/18/81/86/563188186.db2.gz PTMMSUCJSLTCJY-UHFFFAOYSA-N 0 0 439.544 5.893 1 0 IKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(Sc2ccccc2)s1 ZINC000095584268 563188507 /nfs/dbraw/zinc/18/85/07/563188507.db2.gz VXWIBWQMXBGVAQ-XMMPIXPASA-N 0 0 428.582 6.695 1 0 IKAFRN C[C@@H]1CCCN(C(=O)C[C@@H](c2ccc3c(c2)OCO3)c2cc(-c3ccccc3)ccc2O)C1 ZINC000095584616 563188628 /nfs/dbraw/zinc/18/86/28/563188628.db2.gz DRTVUSCCYGCTRX-XXBNENTESA-N 0 0 443.543 5.568 1 0 IKAFRN COc1cccc(N(C(=O)c2ccc(-c3cccc(OC)c3F)s2)c2ccccc2)c1 ZINC000095585367 563188817 /nfs/dbraw/zinc/18/88/17/563188817.db2.gz WQOFWGLIBPGMKN-UHFFFAOYSA-N 0 0 433.504 6.550 1 0 IKAFRN Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000095586777 563189236 /nfs/dbraw/zinc/18/92/36/563189236.db2.gz ULAOIKVMGZONFX-MRXNPFEDSA-N 0 0 431.323 5.200 1 0 IKAFRN c1ccc2c(c1)c1c(n2Cc2ccc(Cn3c4ccccc4c4c3CCCC4)cc2)CCCC1 ZINC000095586628 563189300 /nfs/dbraw/zinc/18/93/00/563189300.db2.gz CNHPXUMQURIPRN-UHFFFAOYSA-N 0 0 444.622 7.450 1 0 IKAFRN Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc1cccnc1)C(C)C ZINC000095589105 563189576 /nfs/dbraw/zinc/18/95/76/563189576.db2.gz XIJDQANFFYYQGL-UHFFFAOYSA-N 0 0 433.339 5.273 1 0 IKAFRN Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc1cncs1)C(C)C ZINC000095589865 563189812 /nfs/dbraw/zinc/18/98/12/563189812.db2.gz YLRYILRDWQYCMM-UHFFFAOYSA-N 0 0 439.368 5.335 1 0 IKAFRN COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000095589776 563189817 /nfs/dbraw/zinc/18/98/17/563189817.db2.gz PHVKEPWPEVNNRD-YRULGILISA-N 0 0 435.564 5.401 1 0 IKAFRN CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1 ZINC000095590635 563190092 /nfs/dbraw/zinc/19/00/92/563190092.db2.gz JJWZHCRWCMWVGL-UHFFFAOYSA-N 0 0 429.442 6.834 1 0 IKAFRN COc1cc(OC)c2c(=O)cc(-c3c(Cl)cccc3Cl)oc2c1-c1ccnn1C ZINC000095590927 563190197 /nfs/dbraw/zinc/19/01/97/563190197.db2.gz XMDLPBZFSDBWRD-UHFFFAOYSA-N 0 0 431.275 5.185 1 0 IKAFRN CNc1ncnc(N)c1N(C=O)C/C=C(\C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21 ZINC000095591285 563190270 /nfs/dbraw/zinc/19/02/70/563190270.db2.gz SGKIRYPVJGUSPZ-FGOPRVDBSA-N 0 0 439.648 5.589 1 0 IKAFRN C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(C2CC2)n1 ZINC000095591591 563190286 /nfs/dbraw/zinc/19/02/86/563190286.db2.gz REEMCNVFTXZLSO-CXAGYDPISA-N 0 0 429.549 5.231 1 0 IKAFRN Cc1nn(-c2ccccc2)c2c1[C@@H]1c3cc4cccc(C)c4nc3SC[C@@H]1C(C)(C)O2 ZINC000095592599 563190526 /nfs/dbraw/zinc/19/05/26/563190526.db2.gz VLVJUQJTWOSPLE-RBBKRZOGSA-N 0 0 427.573 6.062 1 0 IKAFRN COc1ccc(-c2cc(/C=C/[C@H]3C(C)=CCCC3(C)C)nn2-c2ccccc2)cc1OC ZINC000095592597 563190564 /nfs/dbraw/zinc/19/05/64/563190564.db2.gz VAIWKHMHIDTVTR-ZXYASIKESA-N 0 0 428.576 6.952 1 0 IKAFRN O=C(C[C@H](c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000095593190 563190637 /nfs/dbraw/zinc/19/06/37/563190637.db2.gz OUMUCMXCZQTAMO-OAQYLSRUSA-N 0 0 429.335 5.237 1 0 IKAFRN Cc1oc2c(cc3c(C)cc(=O)oc3c2C)c1-c1ccc(/C=C/C(=O)OC(C)(C)C)cc1 ZINC000095593553 563190703 /nfs/dbraw/zinc/19/07/03/563190703.db2.gz RVHPBZRZAZCWMJ-FMIVXFBMSA-N 0 0 430.500 6.486 1 0 IKAFRN O=c1c2ccccc2sn1[C@H](Cc1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 ZINC000095593415 563190725 /nfs/dbraw/zinc/19/07/25/563190725.db2.gz GSKVNZKDCWAFPW-LJQANCHMSA-N 0 0 433.920 5.599 1 0 IKAFRN Fc1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 ZINC000095593883 563190875 /nfs/dbraw/zinc/19/08/75/563190875.db2.gz AVVYEORUZUXFAN-UHFFFAOYSA-N 0 0 446.551 6.082 1 0 IKAFRN COc1ccc(Oc2c(Cl)cnn([C@H](C(=O)c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000095594585 563191114 /nfs/dbraw/zinc/19/11/14/563191114.db2.gz TVRAQAGGKZTXDO-QFIPXVFZSA-N 0 0 446.890 5.170 1 0 IKAFRN Nc1ncc(-c2cccnc2)c2scc(-c3cccc(NC(=O)Nc4ccccc4)c3)c21 ZINC000095595035 563191206 /nfs/dbraw/zinc/19/12/06/563191206.db2.gz JJMLDNZHKBGHNA-UHFFFAOYSA-N 0 0 437.528 6.252 1 0 IKAFRN CC(C)C1=C(C(N)=O)SC2=N[C@](C)(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 ZINC000095596396 563191532 /nfs/dbraw/zinc/19/15/32/563191532.db2.gz GEYJYBGVKMFBLD-SIKLNZKXSA-N 0 0 446.403 5.721 1 0 IKAFRN Cc1ccc(C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)o1 ZINC000095596480 563191534 /nfs/dbraw/zinc/19/15/34/563191534.db2.gz IDCQVGDVUWHHDD-HSZRJFAPSA-N 0 0 447.579 5.583 1 0 IKAFRN CC(C)C1=C(C(N)=O)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095596397 563191539 /nfs/dbraw/zinc/19/15/39/563191539.db2.gz GEYJYBGVKMFBLD-KNQAVFIVSA-N 0 0 446.403 5.721 1 0 IKAFRN COc1cc([C@@H](O)c2c3ccccc3[nH]c2-c2ccc3ccccc3c2)cc(OC)c1OC ZINC000095596586 563191606 /nfs/dbraw/zinc/19/16/06/563191606.db2.gz RWJRKTKRORYISQ-HHHXNRCGSA-N 0 0 439.511 6.096 1 0 IKAFRN CNC(=O)c1ccccc1Nc1c2cc(-c3ccc(F)cc3)[nH]c2ncc1C(F)(F)F ZINC000095596624 563191607 /nfs/dbraw/zinc/19/16/07/563191607.db2.gz OBDQDVJBUMEZAF-UHFFFAOYSA-N 0 0 428.389 5.491 1 0 IKAFRN O=C(/C=C/c1ccc(Cl)cc1)NCCCCCNc1ccnc2cc(Cl)ccc21 ZINC000095596582 563191624 /nfs/dbraw/zinc/19/16/24/563191624.db2.gz BPJZFDBWURTXRN-IZZDOVSWSA-N 0 0 428.363 5.953 1 0 IKAFRN COc1cc(C(=O)c2c3ccccc3[nH]c2-c2cccc3ccccc32)cc(OC)c1OC ZINC000095597010 563191674 /nfs/dbraw/zinc/19/16/74/563191674.db2.gz ILCYWRNFCCOCAW-UHFFFAOYSA-N 0 0 437.495 6.245 1 0 IKAFRN Nc1ncc(-c2cccnc2)c2scc(-c3cccc(NC(=O)NC4CCCCC4)c3)c21 ZINC000095596879 563191675 /nfs/dbraw/zinc/19/16/75/563191675.db2.gz ORVLYSPTAVNDEK-UHFFFAOYSA-N 0 0 443.576 6.062 1 0 IKAFRN COc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000095597454 563191872 /nfs/dbraw/zinc/19/18/72/563191872.db2.gz XEQYFXLFTUREFS-OZXSUGGESA-N 0 0 437.568 6.347 1 0 IKAFRN CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccccn1)c1ccc(C(C)(C)C)cc1 ZINC000095597582 563191890 /nfs/dbraw/zinc/19/18/90/563191890.db2.gz APKRQLGECSUUOZ-QHCPKHFHSA-N 0 0 444.579 5.077 1 0 IKAFRN Brc1cccc(-n2c(COc3ccccc3)nnc2SC2CCCC2)c1 ZINC000095597408 563191894 /nfs/dbraw/zinc/19/18/94/563191894.db2.gz FDRVHZQXZFDSOW-UHFFFAOYSA-N 0 0 430.371 5.644 1 0 IKAFRN O=C(/C=C/c1ccc(Br)cc1)NCCCNc1ccnc2cc(Cl)ccc21 ZINC000095598058 563191977 /nfs/dbraw/zinc/19/19/77/563191977.db2.gz PKUXEPSWVUKCRU-RUDMXATFSA-N 0 0 444.760 5.282 1 0 IKAFRN CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)CC(F)(F)F)c1ccc(C(C)(C)C)cc1 ZINC000095597776 563191981 /nfs/dbraw/zinc/19/19/81/563191981.db2.gz QVKXWJZYTPNFRA-HXUWFJFHSA-N 0 0 449.517 5.321 1 0 IKAFRN CC(C)(C)C(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Br)cc1 ZINC000095598931 563192251 /nfs/dbraw/zinc/19/22/51/563192251.db2.gz DVFBPABZNNSXHY-UHFFFAOYSA-N 0 0 425.326 5.486 3 0 IKAFRN FC(F)(F)c1ccccc1Cc1c(-c2ccc(Cl)cc2)nc2c3ccccc3ccn12 ZINC000095599454 563192437 /nfs/dbraw/zinc/19/24/37/563192437.db2.gz UFXXPADSRXEERM-UHFFFAOYSA-N 0 0 436.864 7.418 3 0 IKAFRN O=C([C@@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1cccnc1 ZINC000095601079 563192723 /nfs/dbraw/zinc/19/27/23/563192723.db2.gz AVVFFRHSJVMZKQ-VXKWHMMOSA-N 0 0 443.444 5.756 1 0 IKAFRN O=C([C@@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccccc1 ZINC000095601146 563192742 /nfs/dbraw/zinc/19/27/42/563192742.db2.gz HDFIXHABRALQGY-GOTSBHOMSA-N 0 0 442.456 6.361 1 0 IKAFRN Cc1ccc2[nH]c(-c3ccccc3)c([C@@H]3C=C(c4ccccc4)Oc4[nH]c(=O)nc(N)c43)c2c1 ZINC000095602260 563193120 /nfs/dbraw/zinc/19/31/20/563193120.db2.gz CHTRVUDLPTYWJJ-FQEVSTJZSA-N 0 0 446.510 5.374 1 0 IKAFRN O=C([C@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000095602897 563193322 /nfs/dbraw/zinc/19/33/22/563193322.db2.gz HDFIXHABRALQGY-DHIUTWEWSA-N 0 0 442.456 6.361 1 0 IKAFRN CSCC[C@H](C(=O)Nc1c(C)cccc1C)n1c2ccccc2nc1-c1cc(C)cs1 ZINC000095603707 563193584 /nfs/dbraw/zinc/19/35/84/563193584.db2.gz KDZOVHAYFRHJEH-OAQYLSRUSA-N 0 0 449.645 6.623 3 0 IKAFRN COC(=O)[C@@H](Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c21)c1ccccc1 ZINC000095603948 563193662 /nfs/dbraw/zinc/19/36/62/563193662.db2.gz ONTNXTUNUMDCEQ-QHCPKHFHSA-N 0 0 435.483 5.883 1 0 IKAFRN O=c1ccc(-c2nc3ccccc3n2[C@@H](CCc2ccccc2)c2nc3ccccc3[nH]2)c[nH]1 ZINC000095604802 563193791 /nfs/dbraw/zinc/19/37/91/563193791.db2.gz FAPPBZWRZRWLDM-VWLOTQADSA-N 0 0 445.526 5.490 1 0 IKAFRN C[C@H](c1nc2ccccc2n1Cc1ccccc1)n1c2ccccc2nc1-c1cnccn1 ZINC000095604911 563193884 /nfs/dbraw/zinc/19/38/84/563193884.db2.gz CUFQFYZCBZEYML-LJQANCHMSA-N 0 0 430.515 5.501 3 0 IKAFRN O=C([C@@H](Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccccc1F ZINC000095605538 563194049 /nfs/dbraw/zinc/19/40/49/563194049.db2.gz BQIBFWUVGIECIX-GOTSBHOMSA-N 0 0 442.456 6.361 1 0 IKAFRN Nc1nc(=S)[nH]c2c1[C@H](c1c3ccccc3[nH]c1-c1ccccc1)C=C(c1ccccc1)O2 ZINC000095605833 563194158 /nfs/dbraw/zinc/19/41/58/563194158.db2.gz WSIMIJIBUYBZOD-IBGZPJMESA-N 0 0 448.551 6.435 1 0 IKAFRN CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)Nc2ccc(F)cc2)[C@H]1CO ZINC000095878550 563194860 /nfs/dbraw/zinc/19/48/60/563194860.db2.gz KYFYNGYVVNDPCE-NQHRYMMQSA-N 0 0 449.501 5.038 1 0 IKAFRN CCN(CC)COc1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1 ZINC000096167829 563195185 /nfs/dbraw/zinc/19/51/85/563195185.db2.gz OATMOMPSJGICMV-UHFFFAOYSA-N 0 0 441.579 6.039 1 0 IKAFRN Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4cccc(OC(F)(F)F)c4)cc3)c12 ZINC000096168219 563195211 /nfs/dbraw/zinc/19/52/11/563195211.db2.gz XWQZOBQFOFEXTK-UHFFFAOYSA-N 0 0 440.425 5.937 1 0 IKAFRN Cc1cc(Cn2c3cc(O)ccc3c(C(=O)NCc3ccc(F)c(F)c3)c2C(C)C)no1 ZINC000096172203 563195582 /nfs/dbraw/zinc/19/55/82/563195582.db2.gz KEOHGDDKKQXTDS-UHFFFAOYSA-N 0 0 439.462 5.023 1 0 IKAFRN CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(CO)cc2n1Cc1ccccc1 ZINC000096172101 563195584 /nfs/dbraw/zinc/19/55/84/563195584.db2.gz CDWKEAUIFDKAIR-UHFFFAOYSA-N 0 0 448.513 5.514 1 0 IKAFRN CN(C)c1ccc(NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1 ZINC000096170292 563195613 /nfs/dbraw/zinc/19/56/13/563195613.db2.gz BRNDPDGDIODAJI-UHFFFAOYSA-N 0 0 446.938 5.032 1 0 IKAFRN CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1cccnc1 ZINC000096172155 563195629 /nfs/dbraw/zinc/19/56/29/563195629.db2.gz QMEPGIMQOWGECY-UHFFFAOYSA-N 0 0 435.474 5.122 1 0 IKAFRN O=C1N(Cc2cccc(Cl)c2)CCCC12CCN(c1nccc(-c3ccccc3)n1)CC2 ZINC000096173067 563195797 /nfs/dbraw/zinc/19/57/97/563195797.db2.gz IKNJTXAWVYBBNQ-UHFFFAOYSA-N 0 0 446.982 5.206 1 0 IKAFRN CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(O)ccc2n1Cc1ccccc1 ZINC000096174502 563196087 /nfs/dbraw/zinc/19/60/87/563196087.db2.gz BDEYQVQMTMIOGU-UHFFFAOYSA-N 0 0 434.486 5.727 1 0 IKAFRN CC(C)c1[nH]nc2c1[C@H](c1ccccc1C(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177098 563196323 /nfs/dbraw/zinc/19/63/23/563196323.db2.gz DSQQPWKIIKFGHE-QHCPKHFHSA-N 0 0 442.544 5.110 1 0 IKAFRN COc1ncccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096177231 563196433 /nfs/dbraw/zinc/19/64/33/563196433.db2.gz UVPNUKVCVOTRBQ-NRFANRHFSA-N 0 0 444.560 5.589 1 0 IKAFRN CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000096269949 563196659 /nfs/dbraw/zinc/19/66/59/563196659.db2.gz ICIKLYFRSARBSE-UHFFFAOYSA-N 0 0 444.579 6.806 1 0 IKAFRN CC(=O)Nc1cccc(-c2n[nH]c3cc(-c4cnn(C)c4)c(NC4CCCCC4)cc32)c1 ZINC000096270039 563196673 /nfs/dbraw/zinc/19/66/73/563196673.db2.gz RIOJOTOJNAHBST-UHFFFAOYSA-N 0 0 428.540 5.333 1 0 IKAFRN CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]1(C)C3=CC(=O)O[C@H](c4ccoc4)[C@@]3(C)CC[C@@H]21 ZINC000096286538 563197416 /nfs/dbraw/zinc/19/74/16/563197416.db2.gz BQDRKSSNLHIYIM-FGYUCKKHSA-N 0 0 426.553 5.003 1 0 IKAFRN CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000096905783 563197615 /nfs/dbraw/zinc/19/76/15/563197615.db2.gz GKMBMAFAKFNSPW-SANMLTNESA-N 0 0 438.506 5.684 1 0 IKAFRN O=C(Nc1cccc2cccnc21)c1ccc(N2C(=O)CC[C@H]2c2ccc(F)cc2)cc1 ZINC000096909102 563197673 /nfs/dbraw/zinc/19/76/73/563197673.db2.gz GZWJBWUIOUNWLQ-QHCPKHFHSA-N 0 0 425.463 5.494 1 0 IKAFRN Cn1cc/c(=N\c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2ccc(Cl)cc21 ZINC000096909075 563197688 /nfs/dbraw/zinc/19/76/88/563197688.db2.gz CJCYGSQIXPNMLI-SGWCAAJKSA-N 0 0 428.841 6.875 1 0 IKAFRN O=C(Nc1cccc2cccnc21)c1ccc(N2C(=O)CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000096909103 563197689 /nfs/dbraw/zinc/19/76/89/563197689.db2.gz GZWJBWUIOUNWLQ-HSZRJFAPSA-N 0 0 425.463 5.494 1 0 IKAFRN CCN(CC)C(=O)[C@@H]1Sc2cc(NC(C)=O)ccc2-c2c1c1ccccc1n2CCF ZINC000096909184 563197698 /nfs/dbraw/zinc/19/76/98/563197698.db2.gz UFZKUMVHQKVATP-HSZRJFAPSA-N 0 0 439.556 5.251 1 0 IKAFRN O=c1nc(C[NH+]2CCCC2)[n-]c2cc(-c3cn(Cc4ccccc4)c4ccccc34)sc21 ZINC000096909359 563197735 /nfs/dbraw/zinc/19/77/35/563197735.db2.gz QRZVZSZDDVMKSK-UHFFFAOYSA-N 0 0 440.572 5.663 1 0 IKAFRN Cc1sc2[nH]c(-c3sc(NC(=O)c4ccco4)nc3-c3ccccc3)nc(=O)c2c1C ZINC000096927340 563198139 /nfs/dbraw/zinc/19/81/39/563198139.db2.gz LSVXWXUOGPINSV-UHFFFAOYSA-N 0 0 448.529 5.237 1 0 IKAFRN COc1ccc(-n2nc(C(=O)Oc3cccc(C(C)C)c3)cc2-c2ccc(Cl)cc2)nn1 ZINC000096928087 563198254 /nfs/dbraw/zinc/19/82/54/563198254.db2.gz MPEBKPODCVDLEL-UHFFFAOYSA-N 0 0 448.910 5.334 1 0 IKAFRN CCN1c2ccc(C(F)(F)F)cc2N(c2ccccc2)C(=O)N(c2ccc(O)cc2)C1=O ZINC000096928724 563198331 /nfs/dbraw/zinc/19/83/31/563198331.db2.gz MDIBRZHIXLGGFE-UHFFFAOYSA-N 0 0 441.409 6.136 1 0 IKAFRN CCN(CC)c1cc2nc(-c3ccccc3OC)[nH]c2cc1NC(=O)c1ccccc1OC ZINC000096928346 563198420 /nfs/dbraw/zinc/19/84/20/563198420.db2.gz MZCVAJFVNPTBKZ-UHFFFAOYSA-N 0 0 444.535 5.346 1 0 IKAFRN CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]12)[C@@H]1CN(c2ccccc2)N=C14 ZINC000096928873 563198450 /nfs/dbraw/zinc/19/84/50/563198450.db2.gz FSSSQYRPYGZYSS-STWQJQAKSA-N 0 0 448.651 6.455 1 0 IKAFRN COc1cccc(C(=O)Nc2nc3ccc4nc(NC5CCCCC5)sc4c3s2)c1 ZINC000096929302 563198602 /nfs/dbraw/zinc/19/86/02/563198602.db2.gz MVBSCKTYBSGCLQ-UHFFFAOYSA-N 0 0 438.578 5.912 1 0 IKAFRN C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](OCCO)C3)CCC[C@@]21C ZINC000096929542 563198649 /nfs/dbraw/zinc/19/86/49/563198649.db2.gz JSZVVITZFXSJGU-WKEKBRLYSA-N 0 0 448.688 5.555 1 0 IKAFRN CCOC(=O)c1[nH]c(Br)c(-c2ccc(Cl)c(Cl)c2)c1Br ZINC000096933265 563199031 /nfs/dbraw/zinc/19/90/31/563199031.db2.gz UJCPRJYYOXLVJY-UHFFFAOYSA-N 0 0 441.934 5.690 1 0 IKAFRN O=C(c1ccc(N2CCCCC2)cc1)N1CC[C@H]2c3ccccc3N[C@H]2[C@@H]1c1ccccn1 ZINC000096933230 563199032 /nfs/dbraw/zinc/19/90/32/563199032.db2.gz GCPQYBCDXLBYGE-RNJDCESWSA-N 0 0 438.575 5.237 1 0 IKAFRN O=C(/C=C/c1cccnc1Cl)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 ZINC000096934212 563199198 /nfs/dbraw/zinc/19/91/98/563199198.db2.gz MCPVFNLYVRRHKL-RMKNXTFCSA-N 0 0 436.302 5.727 1 0 IKAFRN Cc1cc2oc(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)cc(=O)c2cc1Cl ZINC000096937334 563199579 /nfs/dbraw/zinc/19/95/79/563199579.db2.gz AZYZZWDJXZXRBZ-UHFFFAOYSA-N 0 0 446.808 7.113 1 0 IKAFRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000096937811 563199644 /nfs/dbraw/zinc/19/96/44/563199644.db2.gz HENSNQXDVSMDLC-UHFFFAOYSA-N 0 0 446.963 5.628 1 0 IKAFRN CC(C)SCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CSC(C)C)ccc1-2 ZINC000096938171 563199709 /nfs/dbraw/zinc/19/97/09/563199709.db2.gz MLJJLPUWCIOBMN-UHFFFAOYSA-N 0 0 442.606 5.058 1 0 IKAFRN Cc1cc2oc(=O)cc(-c3cccc(N)c3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1 ZINC000096940128 563200139 /nfs/dbraw/zinc/20/01/39/563200139.db2.gz YPQNZMSVZYWEFI-UHFFFAOYSA-N 0 0 440.543 5.158 1 0 IKAFRN O=C1c2ccccc2C(=O)N1CCCNc1c2c3c(sc2nc2c1CCCC2)CCCC3 ZINC000098082252 563200504 /nfs/dbraw/zinc/20/05/04/563200504.db2.gz SKEMDMSTWWQHCA-UHFFFAOYSA-N 0 0 445.588 5.152 1 0 IKAFRN O=C1CCS[C@H](c2cccc(O)c2)N1CCCNc1ccnc2cc(Cl)ccc21 ZINC000098082406 563200559 /nfs/dbraw/zinc/20/05/59/563200559.db2.gz CZLLUQZMCCSZSX-JOCHJYFZSA-N 0 0 427.957 5.060 1 0 IKAFRN Fc1cccc(F)c1[C@H]1CC(c2ccccc2)=NN1C1=N[C@@H](c2ccc(Cl)cc2)S1 ZINC000098082419 563200589 /nfs/dbraw/zinc/20/05/89/563200589.db2.gz XKLRBFQNPLLWLO-IFMALSPDSA-N 0 0 439.918 6.571 1 0 IKAFRN COc1ccc([C@H]2N=C(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)S2)cc1 ZINC000098082636 563200623 /nfs/dbraw/zinc/20/06/23/563200623.db2.gz CQSOHXNTQLNTNQ-GGAORHGYSA-N 0 0 435.499 5.926 1 0 IKAFRN Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4n[nH]c(=S)n4C=N[C@@H]32)cc1 ZINC000098082901 563200731 /nfs/dbraw/zinc/20/07/31/563200731.db2.gz OJXFVBXACVEKKL-ISKFKSNPSA-N 0 0 435.556 5.638 1 0 IKAFRN CC1(C)C=C[C@]2(C)CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000014617183 571716700 /nfs/dbraw/zinc/71/67/00/571716700.db2.gz VNGUCOGHCJHFID-HLTYTMHJSA-N 0 0 440.712 6.917 1 0 endogenous,in-man IKAFRN 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560056250 /nfs/dbraw/zinc/05/62/50/560056250.db2.gz OHURLQYFJBUGGV-MQSFILNBSA-N 0 0 428.701 6.750 1 0 biogenic,in-vitro IKAFRN CCC/C=C1\OC(=O)C2=C[C@H]3CC[C@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571241 560069829 /nfs/dbraw/zinc/06/98/29/560069829.db2.gz MAWIGAPGDSENOE-ZSINBEBTSA-N 0 0 434.576 6.298 1 0 biogenic,in-vitro IKAFRN [NH3+]CC[C@H](CCCC/C=C\CCC1CCCCC1)[C@H](CCc1ccccc1)CC(=O)[O-] ZINC000085505808 560074739 /nfs/dbraw/zinc/07/47/39/560074739.db2.gz NYNCKXUEDUUZLJ-GKIUIDMUSA-N 0 0 427.673 7.152 1 0 biogenic,in-vitro IKAFRN COc1cc(O)c(Cc2ccc(O)cc2)c(/C=C\c2ccccc2)c1Cc1ccc(O)cc1 ZINC000031538346 560089598 /nfs/dbraw/zinc/08/95/98/560089598.db2.gz JPOSRDXMWOPQOV-WJDWOHSUSA-N 0 0 438.523 6.164 1 0 biogenic,in-vitro IKAFRN COC(=O)c1c(C)c2c(c(C)c1OC)OC(=O)c1c(C)c(Cl)c(OC)c(Cl)c1O2 ZINC000003978544 560192613 /nfs/dbraw/zinc/19/26/13/560192613.db2.gz PDTLWAZKMKQSLD-UHFFFAOYSA-N 0 0 441.263 5.047 1 0 in-vitro IKAFRN C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000003978796 560192796 /nfs/dbraw/zinc/19/27/96/560192796.db2.gz XUARCIYIVXVTAE-OGUVMQSXSA-N 0 0 442.728 6.997 1 0 in-vitro IKAFRN CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000003978832 560192877 /nfs/dbraw/zinc/19/28/77/560192877.db2.gz KYBLAIAGFNCVHL-NKMUTICISA-N 0 0 444.744 7.220 1 0 in-vitro IKAFRN CC(C)=CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C ZINC000006003161 560204274 /nfs/dbraw/zinc/20/42/74/560204274.db2.gz ONQRKEUAIJMULO-CCQWHVNSSA-N 0 0 426.729 8.169 1 0 in-vitro IKAFRN COc1cc(-c2coc3c(CC=C(C)C)c4c(c(=O)c-3c2O)C=CC(C)(C)O4)ccc1O ZINC000013374413 560215423 /nfs/dbraw/zinc/21/54/23/560215423.db2.gz QGXIIQMVACEMFG-UHFFFAOYSA-N 0 0 434.488 5.573 1 0 biogenic,in-vitro IKAFRN CC1(C)CC[C@]2(C)CC[C@@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC4 ZINC000014610681 571715121 /nfs/dbraw/zinc/71/51/21/571715121.db2.gz MCSMMGJCXCBSKD-SAIGNZFDSA-N 0 0 426.729 8.313 1 0 endogenous,in-man IKAFRN CO[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@@]5(C)CC[C@@]4(C)C3=CC[C@@H]2C1(C)C ZINC000014610655 571715135 /nfs/dbraw/zinc/71/51/35/571715135.db2.gz IWHPMBHSBARBOW-XFUQTFERSA-N 0 0 440.756 8.823 1 0 endogenous,in-man IKAFRN CC1(C)CC[C@@]2(C)CC[C@@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC4 ZINC000014610678 571715242 /nfs/dbraw/zinc/71/52/42/571715242.db2.gz MCSMMGJCXCBSKD-AQYHXPKVSA-N 0 0 426.729 8.313 1 0 endogenous,in-man IKAFRN Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(OCc3ccccn3)c(C)c1)CC2 ZINC000000578774 562918164 /nfs/dbraw/zinc/91/81/64/562918164.db2.gz QFPXEFZKXYSMPH-UHFFFAOYSA-N 0 0 442.441 5.286 1 0 IKAFRN Cc1cnc(CNC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)cn1 ZINC000000588242 562918201 /nfs/dbraw/zinc/91/82/01/562918201.db2.gz AXWVIWLWIYHXAX-UHFFFAOYSA-N 0 0 431.580 5.556 1 0 IKAFRN COc1ccc(-c2oc(-c3ccccn3)cc2C(=O)c2ccccc2)cc1OC1CCCC1 ZINC000000585671 562918203 /nfs/dbraw/zinc/91/82/03/562918203.db2.gz KKFXCTPIDVEWQJ-UHFFFAOYSA-N 0 0 439.511 6.570 1 0 IKAFRN CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1)CC2 ZINC000000838862 562919349 /nfs/dbraw/zinc/91/93/49/562919349.db2.gz SCUPRUBSMMOZTH-UHFFFAOYSA-N 0 0 429.467 6.084 1 0 IKAFRN COc1cc2oc3c(c(O)c-2c(=O)c1C=CC(C)C)CCC(C)(C)Oc1cc(O)ccc1-3 ZINC000001566145 562923019 /nfs/dbraw/zinc/92/30/19/562923019.db2.gz BYSBNEYAFYNBMQ-SOFGYWHQSA-N 0 0 436.504 5.653 1 0 IKAFRN COc1ccc(Nc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1OC ZINC000001629467 562923323 /nfs/dbraw/zinc/92/33/23/562923323.db2.gz RKSHAXFGZMSRKU-UHFFFAOYSA-N 0 0 440.425 5.659 1 0 IKAFRN COc1ccc(CNc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1OC ZINC000001625169 562923328 /nfs/dbraw/zinc/92/33/28/562923328.db2.gz FXIBESCKPNGQDQ-UHFFFAOYSA-N 0 0 439.437 5.945 1 0 IKAFRN Nc1nc(SCC(=O)c2ccccc2)nc2nc3c(c(-c4ccccc4)c12)CCCC3 ZINC000001642447 562923546 /nfs/dbraw/zinc/92/35/46/562923546.db2.gz JGTDUIXKILVFMV-UHFFFAOYSA-N 0 0 426.545 5.128 1 0 IKAFRN CCOC(=O)c1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1 ZINC000001646714 562923686 /nfs/dbraw/zinc/92/36/86/562923686.db2.gz MEOCXCNZPNMJGA-UHFFFAOYSA-N 0 0 437.421 6.236 1 0 IKAFRN C[C@@H](NC(=O)O[C@@H]1C=C[C@@]2(CC1)c1ccccc1N(C)C2=O)c1cccc2ccccc21 ZINC000001654044 562924001 /nfs/dbraw/zinc/92/40/01/562924001.db2.gz SPQSFTDYXUMGEZ-VXNLTHLCSA-N 0 0 426.516 5.260 1 0 IKAFRN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C1=S ZINC000001655245 562924046 /nfs/dbraw/zinc/92/40/46/562924046.db2.gz JNQNRDNIVWVCBI-UHFFFAOYSA-N 0 0 448.158 5.183 1 0 IKAFRN CC1(C)Cc2[nH]c(-c3ccc(Br)cc3)c3c2c(nc2c3C(=O)CC(C)(C)C2)C1 ZINC000001659312 562924230 /nfs/dbraw/zinc/92/42/30/562924230.db2.gz HEHPNPQDFUOYNL-UHFFFAOYSA-N 0 0 437.381 6.272 1 0 IKAFRN CC[C@@H](C)n1c(=O)c2sccc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000002925114 562930541 /nfs/dbraw/zinc/93/05/41/562930541.db2.gz PRYNNHGMQXPNFD-LLVKDONJSA-N 0 0 441.500 5.179 3 0 IKAFRN CCCCNC(=O)[C@@H](CC)Sc1nnc(-c2cccc(F)c2)c(-c2cccc(F)c2)n1 ZINC000002950920 562931115 /nfs/dbraw/zinc/93/11/15/562931115.db2.gz GSBZSXNFPVMIHO-LJQANCHMSA-N 0 0 442.535 5.271 1 0 IKAFRN COc1ccc(Cc2nnc(SCc3c(C)noc3C)n2C2CCCCC2)cc1OC ZINC000003290038 562933738 /nfs/dbraw/zinc/93/37/38/562933738.db2.gz DXLOLUDIUHDSBO-UHFFFAOYSA-N 0 0 442.585 5.288 3 0 IKAFRN O=C(Nc1ccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccco1 ZINC000003607100 562936747 /nfs/dbraw/zinc/93/67/47/562936747.db2.gz YSFAFTDZNDPEHN-UHFFFAOYSA-N 0 0 439.846 6.013 1 0 IKAFRN COc1ccc([C@@H]2CC(=O)N(Cc3ccc(Br)cc3)C2)cc1OC1CCCC1 ZINC000003651379 562937410 /nfs/dbraw/zinc/93/74/10/562937410.db2.gz UBNAXKVAGIAFDG-GOSISDBHSA-N 0 0 444.369 5.295 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(Br)c1)Oc1ccccc1-3 ZINC000003831945 562939080 /nfs/dbraw/zinc/93/90/80/562939080.db2.gz YPUGASLTKIAOPT-DEOSSOPVSA-N 0 0 432.361 7.205 1 0 IKAFRN Cc1cc([C@H]2Oc3ccc(Cl)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)ccc1Cl ZINC000003831942 562939085 /nfs/dbraw/zinc/93/90/85/562939085.db2.gz SSFWXDSRZJERKU-RUZDIDTESA-N 0 0 436.382 8.058 1 0 IKAFRN CC(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1N ZINC000003938521 562939595 /nfs/dbraw/zinc/93/95/95/562939595.db2.gz DMOWIFGXQZDDEZ-UHFFFAOYSA-N 0 0 425.315 6.890 1 0 IKAFRN COc1c(Cl)c(C)c2c(c1Cl)OC(=O)c1c(C)c(Cl)c(OC)c(Cl)c1O2 ZINC000003978474 562940340 /nfs/dbraw/zinc/94/03/40/562940340.db2.gz PPFWMXVOIABRTP-UHFFFAOYSA-N 0 0 438.090 6.259 1 0 in-vitro IKAFRN CC[C@@H](C)C(=O)c1c(O)c2c(oc3c2c(O)c(C(=O)[C@H](C)CC)c(O)c3C)c(C)c1O ZINC000003978817 562940342 /nfs/dbraw/zinc/94/03/42/562940342.db2.gz SGFCERQKVVMREN-NXEZZACHSA-N 0 0 428.481 5.483 1 0 in-vitro IKAFRN O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1 ZINC000004238099 562942763 /nfs/dbraw/zinc/94/27/63/562942763.db2.gz VBMCNQCKLYXCGD-SANMLTNESA-N 0 0 432.589 5.035 1 0 IKAFRN CCCCCC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C ZINC000004753988 562943551 /nfs/dbraw/zinc/94/35/51/562943551.db2.gz YXONHJRVHBHKDQ-UHFFFAOYSA-N 0 0 435.612 7.114 1 0 IKAFRN CC(C)Cc1ccc([C@H](C)C(=O)OCCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000005138307 562943826 /nfs/dbraw/zinc/94/38/26/562943826.db2.gz JFGXBHHLHQAGRR-FQEVSTJZSA-N 0 0 429.004 5.007 1 0 in-man IKAFRN C1CCCCC2(CCCCCCCCC3(CCC1)SCCS3)SCCS2 ZINC000005566828 562944186 /nfs/dbraw/zinc/94/41/86/562944186.db2.gz UYTONAUUHUMPKA-UHFFFAOYSA-N 0 0 432.830 8.594 1 0 IKAFRN COc1ccc(N[C@H]([C@@H](c2ccccc2)[S@@](=O)c2ccc(C)cc2)C(F)(F)F)cc1 ZINC000005581593 562944188 /nfs/dbraw/zinc/94/41/88/562944188.db2.gz UIEZMMLBIUZMMX-NPKFRGRUSA-N 0 0 433.495 5.896 1 0 IKAFRN COc1ccc([C@@H](c2ccc3cccnc3c2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000005615882 562944447 /nfs/dbraw/zinc/94/44/47/562944447.db2.gz FEMXFSMHWCFXMA-XMMPIXPASA-N 0 0 427.500 5.318 1 0 IKAFRN COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1cc(C(=O)C(F)(F)F)c3ccccc3c1N2 ZINC000005733041 562944581 /nfs/dbraw/zinc/94/45/81/562944581.db2.gz KVKAGQUIZDIOTF-LJQANCHMSA-N 0 0 441.327 5.449 1 0 IKAFRN CSC1=C(C)S/C(=C\c2ccc(/C=C3\SC(C)=C(SC)S3)cc2)S1 ZINC000005822416 562944886 /nfs/dbraw/zinc/94/48/86/562944886.db2.gz UDCKCYBSAULLKI-KAVGSWPWSA-N 0 0 426.744 8.347 1 0 IKAFRN Clc1ccccc1C1=NN(c2ccccc2)[C@H]2c3cc(Br)ccc3OC[C@@H]12 ZINC000005823906 562944950 /nfs/dbraw/zinc/94/49/50/562944950.db2.gz IIFUZKSFQBDFEV-AVRDEDQJSA-N 0 0 439.740 6.077 1 0 IKAFRN CCCCCN1c2ccc(Cl)cc2C(c2ccc(O)cc2)=N[C@@H](Cc2ccccc2)C1=O ZINC000005846140 562945064 /nfs/dbraw/zinc/94/50/64/562945064.db2.gz VBQQYXIDOWSJIE-DEOSSOPVSA-N 0 0 446.978 6.031 1 0 IKAFRN C[C@@H](NC(=O)O[C@H]1C=C[C@@]2(CC1)c1ccccc1N(C)C2=O)c1cccc2ccccc21 ZINC000005922424 562945308 /nfs/dbraw/zinc/94/53/08/562945308.db2.gz SPQSFTDYXUMGEZ-ZNFWPTJWSA-N 0 0 426.516 5.260 1 0 IKAFRN C[C@H](CCc1ncc[nH]1)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000005890473 562945312 /nfs/dbraw/zinc/94/53/12/562945312.db2.gz AUDPHZXRKNUGBV-UYVYZUFXSA-N 0 0 438.700 7.089 1 0 IKAFRN 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437.536 5.258 3 0 IKAFRN CC(C)=CCOc1cc2c(CC=C(C)C)c(O)c(C(C)=O)c(O)c2c2c1C=CC(C)(C)O2 ZINC000013308077 562985625 /nfs/dbraw/zinc/98/56/25/562985625.db2.gz HTWXIQRLVLRJGN-UHFFFAOYSA-N 0 0 436.548 6.492 1 0 IKAFRN COc1ccc([C@@H]2CC(=O)c3c(O)c(CC=C(C)C)c4c(c3O2)C=CC(C)(C)O4)cc1O ZINC000013339863 562985781 /nfs/dbraw/zinc/98/57/81/562985781.db2.gz RGXSRPKLOMKRQU-NRFANRHFSA-N 0 0 436.504 5.506 1 0 in-vitro IKAFRN COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc([C@@H](O)C(C)C)n32)c1OC ZINC000013441519 562986288 /nfs/dbraw/zinc/98/62/88/562986288.db2.gz WCAVDBXLKQOHQF-FQEVSTJZSA-N 0 0 440.931 5.295 1 0 IKAFRN FC(F)Oc1ccc([C@@H](Cc2ccncc2)c2ccc(Cl)cc2)cc1OC(F)F ZINC000013442067 562986504 /nfs/dbraw/zinc/98/65/04/562986504.db2.gz SXGLZTUYFZBGOK-KRWDZBQOSA-N 0 0 425.809 6.312 1 0 IKAFRN CCC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)cc2)cc1 ZINC000013442542 562986543 /nfs/dbraw/zinc/98/65/43/562986543.db2.gz OYRQSJBFDCJTPZ-UHFFFAOYSA-N 0 0 433.556 5.301 1 0 IKAFRN Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)c5ccccc5)cc4)c31)NC2=O ZINC000013450133 562987255 /nfs/dbraw/zinc/98/72/55/562987255.db2.gz CKIUDPAQRLVQID-UHFFFAOYSA-N 0 0 442.540 5.183 1 0 IKAFRN COC(=O)NC[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(Cl)cc3)cc2C1 ZINC000013471284 562987872 /nfs/dbraw/zinc/98/78/72/562987872.db2.gz HAQSIEIEPKZOHT-KRWDZBQOSA-N 0 0 448.950 5.639 1 0 IKAFRN CC(=O)Oc1ccccc1C(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1 ZINC000013472549 562988081 /nfs/dbraw/zinc/98/80/81/562988081.db2.gz RHXXBOQPXFFPIG-UHFFFAOYSA-N 0 0 438.439 5.025 1 0 IKAFRN COc1ccc(-c2oc3cc(OC)ccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013474194 562988656 /nfs/dbraw/zinc/98/86/56/562988656.db2.gz RNCCLQZMDBUQRL-UHFFFAOYSA-N 0 0 448.471 5.374 1 0 IKAFRN COc1ccc(-c2oc3cc(OC)ccc3c2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013474202 562988659 /nfs/dbraw/zinc/98/86/59/562988659.db2.gz AAESAZREXMYQDK-UHFFFAOYSA-N 0 0 434.488 5.734 1 0 IKAFRN C[S@@](=O)c1ccc(CSc2ncc(-c3ccncc3)c(-c3ccc(F)cc3)n2)cc1 ZINC000013474284 562988683 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0 IKAFRN COC(=O)c1cc(-c2ccccc2)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487095 562989338 /nfs/dbraw/zinc/98/93/38/562989338.db2.gz OHNWAUSLBMNJIX-UHFFFAOYSA-N 0 0 427.287 5.808 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2cc3ccccc3s2)cc1 ZINC000013487284 562989341 /nfs/dbraw/zinc/98/93/41/562989341.db2.gz AUAWTFPUZOATGT-UHFFFAOYSA-N 0 0 432.522 5.745 1 0 IKAFRN Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2nccs2)c1 ZINC000013487480 562989350 /nfs/dbraw/zinc/98/93/50/562989350.db2.gz NBLNPRWCBOMBQN-UHFFFAOYSA-N 0 0 427.938 5.824 1 0 IKAFRN CCCCOP(=O)(CCCSc1nc2ccc(OCC)cc2o1)OCCCC ZINC000013488982 562989776 /nfs/dbraw/zinc/98/97/76/562989776.db2.gz FEIDTVFIQDHLML-UHFFFAOYSA-N 0 0 429.519 6.535 1 0 IKAFRN FC(F)(F)c1cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc(C(F)(F)F)c1 ZINC000013489741 562990024 /nfs/dbraw/zinc/99/00/24/562990024.db2.gz ZNFSFDXPGWJMME-UHFFFAOYSA-N 0 0 449.358 6.111 1 0 IKAFRN CCOc1nc(-c2cccc(Nc3ncnc4cc(OCC)c(OCC)cc43)c2)cs1 ZINC000013490782 562990276 /nfs/dbraw/zinc/99/02/76/562990276.db2.gz ZXIVGEVHZDHKDH-UHFFFAOYSA-N 0 0 436.537 5.693 1 0 IKAFRN CCOc1cc2ncnc(Nc3ccc(F)c(-c4csc(C)n4)c3F)c2cc1OCC ZINC000013490815 562990307 /nfs/dbraw/zinc/99/03/07/562990307.db2.gz RFYLOXQHMWPQAR-UHFFFAOYSA-N 0 0 442.491 5.881 1 0 IKAFRN CC(C)Cc1cccc(CN(C[C@@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490914 562990336 /nfs/dbraw/zinc/99/03/36/562990336.db2.gz PLHQHZARAHITPN-RUZDIDTESA-N 0 0 443.509 6.607 1 0 IKAFRN O[C@@H](CN(Cc1cccc(C2CC2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490918 562990341 /nfs/dbraw/zinc/99/03/41/562990341.db2.gz KIBKXORMJPVXKP-DEOSSOPVSA-N 0 0 427.466 6.286 1 0 IKAFRN CC(C)Oc1cccc(CN(C[C@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490909 562990391 /nfs/dbraw/zinc/99/03/91/562990391.db2.gz ZGOIWKZKTOHHFF-DEOSSOPVSA-N 0 0 445.481 6.196 1 0 IKAFRN Cc1ccc(CNC(=O)c2cc(C(=O)Nc3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000013491664 562990428 /nfs/dbraw/zinc/99/04/28/562990428.db2.gz ZDICPWAUUOQXIC-UHFFFAOYSA-N 0 0 444.922 5.016 1 0 IKAFRN Clc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC000013491639 562990485 /nfs/dbraw/zinc/99/04/85/562990485.db2.gz ZOCYJFUKHOSYAG-UHFFFAOYSA-N 0 0 428.967 5.515 1 0 IKAFRN Cc1ccccc1CNC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000013493828 562990932 /nfs/dbraw/zinc/99/09/32/562990932.db2.gz WHXHDNIXVIJSLI-UHFFFAOYSA-N 0 0 428.319 5.876 1 0 IKAFRN CC(=O)OCc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F ZINC000013518707 562991152 /nfs/dbraw/zinc/99/11/52/562991152.db2.gz OEFKKIOENWZRER-UHFFFAOYSA-N 0 0 428.385 5.371 1 0 IKAFRN Nc1sc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)c1cccc2ccccc21 ZINC000013518374 562991185 /nfs/dbraw/zinc/99/11/85/562991185.db2.gz VMNLKCBPLCJCKG-UHFFFAOYSA-N 0 0 439.967 7.702 1 0 IKAFRN O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2o1 ZINC000013525841 562991601 /nfs/dbraw/zinc/99/16/01/562991601.db2.gz GWZLKJUHKRQBRB-UHFFFAOYSA-N 0 0 446.378 5.072 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C(C)C)Oc1ccc(F)cc1-3 ZINC000013527199 562991828 /nfs/dbraw/zinc/99/18/28/562991828.db2.gz QXUJGHLIYHYUAH-WGARJPEWSA-N 0 0 425.547 8.114 1 0 IKAFRN Cn1ccc2c1CCCCN2C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000013532167 562992112 /nfs/dbraw/zinc/99/21/12/562992112.db2.gz RRHOINWFAMAGIC-UHFFFAOYSA-N 0 0 449.554 5.928 1 0 IKAFRN O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1F ZINC000013534533 562992366 /nfs/dbraw/zinc/99/23/66/562992366.db2.gz DJNVZUYGTQXQQP-UHFFFAOYSA-N 0 0 425.463 5.088 1 0 IKAFRN CCCCCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553420 562992916 /nfs/dbraw/zinc/99/29/16/562992916.db2.gz ZBIRMMNMDDEGQP-UHFFFAOYSA-N 0 0 445.438 7.047 1 0 IKAFRN CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C(C)C)c21 ZINC000013553396 562992920 /nfs/dbraw/zinc/99/29/20/562992920.db2.gz JFEDJHKUIRJMDH-UHFFFAOYSA-N 0 0 447.454 7.701 1 0 IKAFRN O=C(Nc1ccc2c(/C=C/c3ccc4ccc(Cl)cc4n3)cccc2c1)c1ccccc1 ZINC000013560093 562994082 /nfs/dbraw/zinc/99/40/82/562994082.db2.gz AGHFPZUBXGYDHC-JLHYYAGUSA-N 0 0 434.926 7.464 1 0 IKAFRN COc1cc([C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)ccc1F ZINC000013560783 562994252 /nfs/dbraw/zinc/99/42/52/562994252.db2.gz HZLBUICASOGMHC-NYMACZPPSA-N 0 0 436.502 5.639 1 0 IKAFRN CCc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)c(=O)o2)cc1 ZINC000013581302 562994587 /nfs/dbraw/zinc/99/45/87/562994587.db2.gz TUCFIJMNDRFCCX-UHFFFAOYSA-N 0 0 430.525 5.607 1 0 IKAFRN CCc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(S(C)(=O)=O)cc3)c(=O)o2)cc1 ZINC000013581288 562994596 /nfs/dbraw/zinc/99/45/96/562994596.db2.gz CSONLWUEBYUUKB-UHFFFAOYSA-N 0 0 430.525 5.607 1 0 IKAFRN FC(F)(F)c1cccc(Nc2nccc(-c3c4cccnn4nc3-c3ccccc3)n2)c1 ZINC000013582657 562994802 /nfs/dbraw/zinc/99/48/02/562994802.db2.gz BLAJHXAFHKBZSN-UHFFFAOYSA-N 0 0 432.409 5.616 1 0 IKAFRN Cc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)c(-c3ccccc3)nn2n1 ZINC000013582727 562994809 /nfs/dbraw/zinc/99/48/09/562994809.db2.gz YYNPIMSTDPEJPS-UHFFFAOYSA-N 0 0 446.436 5.924 1 0 IKAFRN CCCC(CCC)n1c(CC)nc2c1C(=O)N(C)[C@H](C)N2c1ccc(Cl)cc1Cl ZINC000013582857 562994847 /nfs/dbraw/zinc/99/48/47/562994847.db2.gz GBBLRCADDGKPGT-AWEZNQCLSA-N 0 0 437.415 6.463 1 0 IKAFRN CCc1nc2c(n1COCc1ccccc1)C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000013582819 562994896 /nfs/dbraw/zinc/99/48/96/562994896.db2.gz ZNPYXPPENAESFJ-UHFFFAOYSA-N 0 0 445.350 5.108 1 0 IKAFRN COc1c2c(cc3oc(-c4ccccc4)cc(=O)c31)OC(c1ccccc1)(c1ccccc1)O2 ZINC000013584587 562994918 /nfs/dbraw/zinc/99/49/18/562994918.db2.gz JGSADXKGAWYOPC-UHFFFAOYSA-N 0 0 448.474 6.141 1 0 IKAFRN O=C(Cc1csc2ccccc12)NC[C@@H]1CCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000013586766 562995416 /nfs/dbraw/zinc/99/54/16/562995416.db2.gz ZGXXRCHPJRBHFM-KRWDZBQOSA-N 0 0 433.404 5.531 1 0 IKAFRN Cc1cc(C)c(NC(=O)c2sc(NC(=O)OC(C)(C)C)nc2-c2ccccc2)c(C)c1 ZINC000013587436 562995639 /nfs/dbraw/zinc/99/56/39/562995639.db2.gz CJSMRSKBJZEIAA-UHFFFAOYSA-N 0 0 437.565 6.335 1 0 IKAFRN O=C1NCc2nc(NCc3ccc(Cl)cc3)ccc2N1c1c(Cl)cccc1Cl ZINC000013587256 562995667 /nfs/dbraw/zinc/99/56/67/562995667.db2.gz UFNKQDOQYHJNNZ-UHFFFAOYSA-N 0 0 433.726 6.015 1 0 IKAFRN COc1ccc(Cn2cc(C)c3ccc(C(=O)Nc4c(Cl)cncc4Cl)cc32)cc1 ZINC000013589710 562996456 /nfs/dbraw/zinc/99/64/56/562996456.db2.gz HYFGDONYQPRTJU-UHFFFAOYSA-N 0 0 440.330 5.961 1 0 IKAFRN Cc1cn(Cc2c(C)noc2C)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000013589711 562996496 /nfs/dbraw/zinc/99/64/96/562996496.db2.gz WJEGHVYQRQOJAQ-UHFFFAOYSA-N 0 0 429.307 5.557 1 0 IKAFRN COc1ccc([C@@H](Cc2ccc(O)cc2)SCCCCCCCCCCCO)cc1 ZINC000013601007 562996755 /nfs/dbraw/zinc/99/67/55/562996755.db2.gz BUWNFPIZFCVUQH-AREMUKBSSA-N 0 0 430.654 6.921 1 0 IKAFRN CC1(C)N2Cc3cc(Cc4cccnc4)ccc3N1Cc1cc(Cc3cccnc3)ccc12 ZINC000013600178 562996761 /nfs/dbraw/zinc/99/67/61/562996761.db2.gz LRNYZVNBKDGBQJ-UHFFFAOYSA-N 0 0 432.571 5.735 1 0 IKAFRN CCC[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000013602227 562996963 /nfs/dbraw/zinc/99/69/63/562996963.db2.gz WGCHHLFCYSWCAK-ROMNCUSUSA-N 0 0 430.761 8.495 1 0 IKAFRN CC(C)(C)c1ccc(/C(=C/C(=O)Nc2ccc3c(c2)OCCO3)Cc2ccccc2)cc1 ZINC000013606901 562997394 /nfs/dbraw/zinc/99/73/94/562997394.db2.gz DEOOBPPKXZRIEW-RELWKKBWSA-N 0 0 427.544 6.020 1 0 IKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3)c2cc1OC ZINC000013610107 562997769 /nfs/dbraw/zinc/99/77/69/562997769.db2.gz SFUSDJRVEVLCSW-UHFFFAOYSA-N 0 0 433.439 5.827 1 0 IKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c2cc1OC ZINC000013610111 562997798 /nfs/dbraw/zinc/99/77/98/562997798.db2.gz NHMWKPIXGXPWGN-UHFFFAOYSA-N 0 0 433.439 5.827 1 0 IKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c2cc1OC ZINC000013610119 562997805 /nfs/dbraw/zinc/99/78/05/562997805.db2.gz URESLPMFUBHALD-UHFFFAOYSA-N 0 0 449.894 6.342 1 0 IKAFRN CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4ccsc4)c3)o2)c1 ZINC000013611327 562997854 /nfs/dbraw/zinc/99/78/54/562997854.db2.gz GJIVVHLMOZQKEB-UHFFFAOYSA-N 0 0 440.546 5.616 1 0 IKAFRN CC(=O)N1c2ccc(C(=O)NCc3cccs3)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000013611404 562997882 /nfs/dbraw/zinc/99/78/82/562997882.db2.gz VIDRCLKYUFUTRQ-AREMUKBSSA-N 0 0 432.589 5.519 1 0 IKAFRN COC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)n1 ZINC000013642422 562998558 /nfs/dbraw/zinc/99/85/58/562998558.db2.gz MCUJLMXLVVYABG-UHFFFAOYSA-N 0 0 426.097 5.395 1 0 IKAFRN CCCCC[C@@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3cc(OC(C)=O)ccc3n21 ZINC000013650961 562999191 /nfs/dbraw/zinc/99/91/91/562999191.db2.gz BIZWSDZNUKKOSK-LJQANCHMSA-N 0 0 433.504 5.649 1 0 IKAFRN CCCC(CCC)N1CCn2c(=O)n(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c32 ZINC000013652915 562999372 /nfs/dbraw/zinc/99/93/72/562999372.db2.gz UTMYMIAJAQWRHC-UHFFFAOYSA-N 0 0 433.383 5.591 1 0 IKAFRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)CC(c2c(Cl)cccc2Cl)=NO1 ZINC000013660388 562999531 /nfs/dbraw/zinc/99/95/31/562999531.db2.gz XRRBDJFHHNNHAP-HXUWFJFHSA-N 0 0 437.779 7.119 3 0 IKAFRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)CC(c2c(Cl)cccc2Cl)=NO1 ZINC000013660389 562999536 /nfs/dbraw/zinc/99/95/36/562999536.db2.gz XRRBDJFHHNNHAP-FQEVSTJZSA-N 0 0 437.779 7.119 3 0 IKAFRN CC(C)(C)c1ccc(C(=O)Nc2ccc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)cc1 ZINC000013661156 562999695 /nfs/dbraw/zinc/99/96/95/562999695.db2.gz OPOJFVMIIKXLND-UHFFFAOYSA-N 0 0 447.918 6.369 3 0 IKAFRN CC(=O)c1ccc(-c2ccccc2[C@H]2[C@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)cc1 ZINC000013661955 562999784 /nfs/dbraw/zinc/99/97/84/562999784.db2.gz CGWMRILFMLZEBA-UFAZYNLISA-N 0 0 435.567 6.468 3 0 IKAFRN Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3C[C@H](c1ccccc1)N2CC1CC1 ZINC000013672697 562999986 /nfs/dbraw/zinc/99/99/86/562999986.db2.gz RATGXEAFCMCFDY-JOCHJYFZSA-N 0 0 449.385 6.685 1 0 IKAFRN CC[C@@H](CO)Nc1nc(-c2ccc(Cl)cc2)nc2c1c(C)c(C)n2[C@H](C)c1ccccc1 ZINC000013672265 563000053 /nfs/dbraw/zinc/00/00/53/563000053.db2.gz LDOHATZYKZRZMM-GCJKJVERSA-N 0 0 448.998 6.161 1 0 IKAFRN CC[C@H]1Cn2nc(-c3ccc(C(C)C)cc3C(F)(F)F)c3nc(C)cc(c32)N1CC1CC1 ZINC000013672755 563000075 /nfs/dbraw/zinc/00/00/75/563000075.db2.gz ZWSDMSYAMAZBEZ-SFHVURJKSA-N 0 0 442.529 6.558 1 0 IKAFRN CC[C@H]1Cn2nc(-c3ccc(OC)cc3C(F)(F)F)c3nc(C)cc(c32)N1CC1CC1 ZINC000013672753 563000107 /nfs/dbraw/zinc/00/01/07/563000107.db2.gz MEJYLYXCPDPZQT-HNNXBMFYSA-N 0 0 430.474 5.443 1 0 IKAFRN Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000013673698 563000227 /nfs/dbraw/zinc/00/02/27/563000227.db2.gz SSKVWZRSAZVBCH-UHFFFAOYSA-N 0 0 443.454 5.912 1 0 IKAFRN COc1ccc(/C(=C\CCN2CCOC2=O)c2cc(F)ccc2C(F)(F)F)cc1OC ZINC000013673839 563000275 /nfs/dbraw/zinc/00/02/75/563000275.db2.gz USHMYDHWKHCBNL-AYSLTRBKSA-N 0 0 439.405 5.136 1 0 IKAFRN O=C1[C@H](c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000013680148 563000857 /nfs/dbraw/zinc/00/08/57/563000857.db2.gz CUKPDQSSXDAABM-IBGZPJMESA-N 0 0 431.706 6.361 1 0 in-vivo IKAFRN C[C@@H](NC(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O)c1ccccc1 ZINC000013681892 563000959 /nfs/dbraw/zinc/00/09/59/563000959.db2.gz VYRBSTNFIWINRM-CVSOERGKSA-N 0 0 431.576 5.311 1 0 IKAFRN CC(C)Oc1cccc(-n2c(C[C@@H](C)c3c[nH]c4ccccc43)nc3ccccc3c2=O)c1 ZINC000013725296 563001273 /nfs/dbraw/zinc/00/12/73/563001273.db2.gz QURZOMSKRFTYKQ-LJQANCHMSA-N 0 0 437.543 6.000 1 0 IKAFRN CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccc(OC)cc2n1 ZINC000013728692 563001494 /nfs/dbraw/zinc/00/14/94/563001494.db2.gz CONFRUZBBKSUKV-UHFFFAOYSA-N 0 0 437.503 5.232 1 0 IKAFRN Cc1cc(Cl)ccc1C(OCC[N@@H+]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1C ZINC000013729420 563001559 /nfs/dbraw/zinc/00/15/59/563001559.db2.gz KMNGHCRUSOVTAT-QGZVFWFLSA-N 0 0 436.379 5.513 1 0 IKAFRN CC1=CC(=O)O[C@H](CSc2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)[nH]2)C1 ZINC000013730547 563001756 /nfs/dbraw/zinc/00/17/56/563001756.db2.gz ONRSNSXYNLHFMA-AWEZNQCLSA-N 0 0 445.371 6.404 1 0 IKAFRN COc1ccc2c(c1)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000013735234 563002248 /nfs/dbraw/zinc/00/22/48/563002248.db2.gz BKZAFZZFEGRFFQ-SANMLTNESA-N 0 0 429.560 6.605 1 0 IKAFRN CSc1ccc2c(c1)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000013735236 563002257 /nfs/dbraw/zinc/00/22/57/563002257.db2.gz OLZZJLPVPQFJEO-AREMUKBSSA-N 0 0 445.628 7.318 1 0 IKAFRN O=C(Nc1ccc(F)cc1F)[C@H]1c2ccccc2COc2ccc(Br)cc21 ZINC000013735090 563002271 /nfs/dbraw/zinc/00/22/71/563002271.db2.gz PZTREDYFJYGREL-FQEVSTJZSA-N 0 0 430.248 5.390 1 0 IKAFRN COc1ccc(N2C(=O)[C@@](CCCc3ccccc3)(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000013737029 563002432 /nfs/dbraw/zinc/00/24/32/563002432.db2.gz VEQHEOQNNHYICV-VEEOACQBSA-N 0 0 447.578 6.744 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(NCCO)cc2)CCCC1 ZINC000013736838 563002451 /nfs/dbraw/zinc/00/24/51/563002451.db2.gz PTSZSXZEORNOSV-UHFFFAOYSA-N 0 0 437.628 5.971 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NC(=O)c1cnccn1)c1ccccc1 ZINC000013737234 563002501 /nfs/dbraw/zinc/00/25/01/563002501.db2.gz SDFUBPAOMHMBKH-QFIPXVFZSA-N 0 0 445.567 5.016 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NC(=O)c1ccco1)c1ccccc1 ZINC000013737212 563002535 /nfs/dbraw/zinc/00/25/35/563002535.db2.gz HTSQPJDSEMDMNM-JOCHJYFZSA-N 0 0 433.552 5.819 1 0 IKAFRN Cc1c(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2cc(C)ccc2n1C(=O)OC(C)(C)C ZINC000013737557 563002590 /nfs/dbraw/zinc/00/25/90/563002590.db2.gz LPNXWFSFFJWCHW-AVRDEDQJSA-N 0 0 437.565 5.023 1 0 IKAFRN Cc1cncc(C(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1 ZINC000013738252 563002904 /nfs/dbraw/zinc/00/29/04/563002904.db2.gz WNAGDOYJHMJPBN-UHFFFAOYSA-N 0 0 429.951 5.275 1 0 IKAFRN CCC(=O)OC1=C(c2ccc(OC)cc2)Sc2ccc(C(F)(F)F)cc2-n2cccc21 ZINC000013739858 563002991 /nfs/dbraw/zinc/00/29/91/563002991.db2.gz ZIAWOKPXMXMWOL-UHFFFAOYSA-N 0 0 445.462 6.389 1 0 IKAFRN CCCC(=O)c1cnc2c(OCCCNC(C)=O)cccc2c1Nc1c(C)cccc1C ZINC000013742251 563003417 /nfs/dbraw/zinc/00/34/17/563003417.db2.gz OPKPWTXDZWTJNW-UHFFFAOYSA-N 0 0 433.552 5.483 1 0 IKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc2ccccc21 ZINC000013742761 563003526 /nfs/dbraw/zinc/00/35/26/563003526.db2.gz XOIXQAQAVFEYCG-IUOOWYQTSA-N 0 0 442.603 5.692 1 0 IKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCCCc2ccccc21 ZINC000013742740 563003539 /nfs/dbraw/zinc/00/35/39/563003539.db2.gz SJNCHOWFWAZDQC-IUOOWYQTSA-N 0 0 446.635 5.269 1 0 IKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000013742749 563003545 /nfs/dbraw/zinc/00/35/45/563003545.db2.gz HAGLWOQGYGIGRZ-QKONGSNMSA-N 0 0 426.988 5.192 1 0 IKAFRN CCc1cc(-c2ccc(N(C)C)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 ZINC000013744117 563003751 /nfs/dbraw/zinc/00/37/51/563003751.db2.gz QDBZREYLJBZHBY-UHFFFAOYSA-N 0 0 437.588 5.118 1 0 IKAFRN Cc1nc2cnccc2n1CC1CCN(C(=O)C=C(c2ccccc2)c2ccccc2)CC1 ZINC000013745831 563003875 /nfs/dbraw/zinc/00/38/75/563003875.db2.gz HAKCLDMFKDHVOI-UHFFFAOYSA-N 0 0 436.559 5.110 1 0 IKAFRN CCCCN(CCCC)S(=O)(=O)N(C)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000013747574 563004242 /nfs/dbraw/zinc/00/42/42/563004242.db2.gz MDONCCNPNZESLF-UHFFFAOYSA-N 0 0 425.639 5.544 1 0 IKAFRN Clc1ccc(CO[C@H]2c3c(cc(Cl)cc3Cl)S[C@H]2Cn2ccnc2)cc1 ZINC000013775798 563005768 /nfs/dbraw/zinc/00/57/68/563005768.db2.gz HLISQAYPWNMIHC-PKOBYXMFSA-N 0 0 425.768 6.276 1 0 IKAFRN Clc1ccc2c(c1)[C@@H](OCc1ccc(Cl)cc1Cl)[C@@H](Cn1ccnc1)S2 ZINC000013775782 563005830 /nfs/dbraw/zinc/00/58/30/563005830.db2.gz QUQDOQTVANCRAB-RTBURBONSA-N 0 0 425.768 6.276 1 0 IKAFRN CC(=O)Nc1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000013778260 563005920 /nfs/dbraw/zinc/00/59/20/563005920.db2.gz XDSZVQPOGYFKKP-UHFFFAOYSA-N 0 0 443.128 5.249 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(C(F)(F)F)c1)Oc1ccc(F)cc1-3 ZINC000013777167 563005938 /nfs/dbraw/zinc/00/59/38/563005938.db2.gz SLVCUSXEYXHJIW-DEOSSOPVSA-N 0 0 439.452 7.601 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1cccc(Br)c1)Oc1ccccc1-3 ZINC000013777103 563005940 /nfs/dbraw/zinc/00/59/40/563005940.db2.gz YPUGASLTKIAOPT-XMMPIXPASA-N 0 0 432.361 7.205 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3ccn(C)n3)c2)C2CCCCCC2)c(C)c1 ZINC000013779979 563006310 /nfs/dbraw/zinc/00/63/10/563006310.db2.gz HUVRQVBTQQQJEH-UHFFFAOYSA-N 0 0 444.623 6.769 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3cccs3)cc2)C2CCCCCC2)c(C)c1 ZINC000013779966 563006316 /nfs/dbraw/zinc/00/63/16/563006316.db2.gz ANYGJGAGCGELBY-UHFFFAOYSA-N 0 0 446.660 8.097 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2cc(-c3ccccc3)on2)C2CCCCCC2)c(C)c1 ZINC000013779961 563006322 /nfs/dbraw/zinc/00/63/22/563006322.db2.gz CMFHMXLOLFMQBL-UHFFFAOYSA-N 0 0 431.580 7.024 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3cn[nH]c3)cc2)C2CCCCCC2)c(C)c1 ZINC000013779976 563006346 /nfs/dbraw/zinc/00/63/46/563006346.db2.gz AERBEHWYVDIYIK-UHFFFAOYSA-N 0 0 430.596 6.759 1 0 IKAFRN O=C(Nc1c(F)cc(F)cc1F)N(Cc1cccc(-c2cc[nH]n2)c1)C1CCCCCC1 ZINC000013779994 563006426 /nfs/dbraw/zinc/00/64/26/563006426.db2.gz ZGHNLFPJMWGJCL-UHFFFAOYSA-N 0 0 442.485 6.251 1 0 IKAFRN CCCN(CC1CC1)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 ZINC000013794458 563007039 /nfs/dbraw/zinc/00/70/39/563007039.db2.gz BPYWAEYELHNMCD-UHFFFAOYSA-N 0 0 445.449 6.455 1 0 IKAFRN CCC[C@H](CC)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794759 563007147 /nfs/dbraw/zinc/00/71/47/563007147.db2.gz DKFOZDMJEAPJFB-HNNXBMFYSA-N 0 0 431.382 5.395 1 0 IKAFRN CCCC(CCC)Nc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794866 563007187 /nfs/dbraw/zinc/00/71/87/563007187.db2.gz BWGKOKDHIBWUQW-UHFFFAOYSA-N 0 0 444.421 6.391 1 0 IKAFRN COc1ccc(CNc2nccc(-c3[nH]c(-c4ccccc4)nc3-c3ccccc3)n2)cc1 ZINC000013798210 563007611 /nfs/dbraw/zinc/00/76/11/563007611.db2.gz YLSFSAKXSQLGSF-UHFFFAOYSA-N 0 0 433.515 5.821 1 0 IKAFRN COc1ccc(-c2ccc(-c3cc(=O)oc4cc(OC)c(OC)c(OC)c43)cc2)cc1OC ZINC000013813989 563009128 /nfs/dbraw/zinc/00/91/28/563009128.db2.gz RJJRNLXRFYLDQL-UHFFFAOYSA-N 0 0 448.471 5.170 3 0 IKAFRN COc1cc(OC)c2c(c1)oc(=O)cc2-c1cccc(-c2ccc(OC(F)(F)F)cc2)c1 ZINC000013814030 563009198 /nfs/dbraw/zinc/00/91/98/563009198.db2.gz JASKKMHHHUQOOR-UHFFFAOYSA-N 0 0 442.389 6.043 3 0 aggregator IKAFRN O=C(c1oc2cc(O)ccc2c1-c1cccc2ccccc21)c1cccc(Br)c1 ZINC000013818632 563009686 /nfs/dbraw/zinc/00/96/86/563009686.db2.gz YQYHIWRVMCWUMB-UHFFFAOYSA-N 0 0 443.296 6.952 1 0 IKAFRN O=C(c1oc2cc(O)ccc2c1-c1cccc2ccccc21)c1ccc(Br)cc1 ZINC000013818626 563009689 /nfs/dbraw/zinc/00/96/89/563009689.db2.gz HXLHGSKSFRXBQP-UHFFFAOYSA-N 0 0 443.296 6.952 1 0 IKAFRN CCCCCNC(=O)Nc1c(O)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827648 563010690 /nfs/dbraw/zinc/01/06/90/563010690.db2.gz SQCKDWZAWDDFCX-UHFFFAOYSA-N 0 0 436.556 5.345 1 0 IKAFRN CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827642 563010698 /nfs/dbraw/zinc/01/06/98/563010698.db2.gz GMAAWWJMEUESCZ-UHFFFAOYSA-N 0 0 434.584 5.948 1 0 IKAFRN CN(C)c1cccc(OCCCn2cnc(-c3ccccc3)c2)c1NC(=O)NC(C)(C)C ZINC000013827538 563010714 /nfs/dbraw/zinc/01/07/14/563010714.db2.gz PIZKWMLQOPEHGM-UHFFFAOYSA-N 0 0 435.572 5.005 1 0 IKAFRN Cc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830532 563011140 /nfs/dbraw/zinc/01/11/40/563011140.db2.gz IKMYLWAYVUFRCF-GZSOAFARSA-N 0 0 425.547 6.713 1 0 IKAFRN CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C3(C4CCCCC4)SCCS3)cc1OC2(C)C ZINC000013840297 563012298 /nfs/dbraw/zinc/01/22/98/563012298.db2.gz WZOWMTHJLNUSKG-WOJBJXKFSA-N 0 0 430.679 7.216 1 0 IKAFRN O=C(CC[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O)OCc1ccccc1 ZINC000013860458 563012575 /nfs/dbraw/zinc/01/25/75/563012575.db2.gz GWFJJFJYVXCIFR-QFIPXVFZSA-N 0 0 432.907 5.022 1 0 IKAFRN O=C1c2ccccc2[C@](O[C@H]2CC[C@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000013985971 563014243 /nfs/dbraw/zinc/01/42/43/563014243.db2.gz BCVUSPMNVJOVNH-AOJNWGRGSA-N 0 0 433.935 5.127 1 0 IKAFRN CC(=O)O[C@@H](C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC(=O)CC(C)C)c1ccoc1 ZINC000014515418 563014507 /nfs/dbraw/zinc/01/45/07/563014507.db2.gz IRBWUUAXBAPQRQ-RWWDORIESA-N 0 0 428.613 7.679 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)C=Cc2cc(O)ccc2O1 ZINC000014592952 563014580 /nfs/dbraw/zinc/01/45/80/563014580.db2.gz GIKLGSMYBIIKJM-VXIVAECASA-N 0 0 448.691 9.482 1 0 IKAFRN COn1c2ccccc2c2cc(COCc3ccc4c(c3)c3ccccc3n4OC)ccc21 ZINC000014635107 563014691 /nfs/dbraw/zinc/01/46/91/563014691.db2.gz JLGCQABQKBSNCS-UHFFFAOYSA-N 0 0 436.511 5.736 1 0 IKAFRN C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43CCSSc3ccccc3)[C@@H]1CCC2=O ZINC000014947079 563015469 /nfs/dbraw/zinc/01/54/69/563015469.db2.gz NNVANFDERAUVNL-FIKUDORNSA-N 0 0 438.658 6.818 1 0 IKAFRN C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCSSc3ccccc3)[C@H]1CCC2=O ZINC000014947080 563015502 /nfs/dbraw/zinc/01/55/02/563015502.db2.gz NNVANFDERAUVNL-MRGHISEYSA-N 0 0 438.658 6.818 1 0 IKAFRN CC(C)c1cccc(-c2[nH]c(-c3cccs3)nc2-c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000014958510 563015986 /nfs/dbraw/zinc/01/59/86/563015986.db2.gz VLZWWLJWKCJAEF-UHFFFAOYSA-N 0 0 428.561 5.786 1 0 IKAFRN COc1ccccc1-c1ccc2c(c1)C([C@@H](C)OCCc1ccc(Cl)cc1)=CC(C)(C)N2 ZINC000014968854 563016462 /nfs/dbraw/zinc/01/64/62/563016462.db2.gz XYBAXMXTSMKKKQ-LJQANCHMSA-N 0 0 448.006 7.251 1 0 IKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1csc2ccccc21 ZINC000014970191 563016558 /nfs/dbraw/zinc/01/65/58/563016558.db2.gz FJQOIKVDJJOXNL-RZFJZAQRSA-N 0 0 430.548 6.316 1 0 IKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1cc2ccccc2s1 ZINC000014970177 563016577 /nfs/dbraw/zinc/01/65/77/563016577.db2.gz XKKUGGUSZYRUML-QGDZQMKYSA-N 0 0 430.548 6.316 1 0 IKAFRN O=C(NCCNc1ccc(F)cc1)[C@H](CC1CCCCC1)Nc1nc2ccc(F)cc2o1 ZINC000014971581 563016636 /nfs/dbraw/zinc/01/66/36/563016636.db2.gz YQCHYVLUGFKQRP-NRFANRHFSA-N 0 0 442.510 5.085 1 0 IKAFRN Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)c12 ZINC000014975390 563016812 /nfs/dbraw/zinc/01/68/12/563016812.db2.gz WTKBNSXDRANLNB-UHFFFAOYSA-N 0 0 428.370 5.620 1 0 IKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)NC2CCCCC2)nn1-c1ccc(Cl)cc1Cl ZINC000014975687 563016832 /nfs/dbraw/zinc/01/68/32/563016832.db2.gz DFQZLKUNPFWAPK-UHFFFAOYSA-N 0 0 445.394 5.958 1 0 IKAFRN COc1ccc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2c(N)noc21 ZINC000014975418 563016889 /nfs/dbraw/zinc/01/68/89/563016889.db2.gz PATGADWTCHRVOQ-UHFFFAOYSA-N 0 0 442.397 5.748 1 0 IKAFRN CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCCCCO)cc23)C1(C)C ZINC000014975851 563016897 /nfs/dbraw/zinc/01/68/97/563016897.db2.gz XKZHZNUJAKUQJN-UHFFFAOYSA-N 0 0 427.585 5.084 1 0 IKAFRN CCCCC/C=C(\CCCCC)C1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1 ZINC000014978533 563017163 /nfs/dbraw/zinc/01/71/63/563017163.db2.gz UBCAIVYRVUIDHP-JDXLOGDQSA-N 0 0 441.703 9.582 1 0 IKAFRN C[NH+](C)CCOc1ccc(/C(=C(/CCCC(=O)[O-])c2ccccc2)c2ccc(O)cc2)cc1 ZINC000014978662 563017261 /nfs/dbraw/zinc/01/72/61/563017261.db2.gz NKVKAJIJRJZXDF-SGEDCAFJSA-N 0 0 445.559 5.547 1 0 IKAFRN Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2-c2ccccc2C(=O)[O-])cc1 ZINC000015770516 563017982 /nfs/dbraw/zinc/01/79/82/563017982.db2.gz IRXRLJYGCIAHDF-UHFFFAOYSA-O 0 0 442.538 6.971 3 0 IKAFRN CCCn1c2cc(Cl)c(Cl)cc2nc1[C@H](C)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000015937218 563019206 /nfs/dbraw/zinc/01/92/06/563019206.db2.gz MICQSZUGFZHIBV-AWEZNQCLSA-N 0 0 445.419 7.358 3 0 IKAFRN FC(F)(F)c1cc(CCN2C(=S)NC[C@@H]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000015952990 563020428 /nfs/dbraw/zinc/02/04/28/563020428.db2.gz ODKVSFKEMBQORC-KRWDZBQOSA-N 0 0 432.433 5.479 3 0 IKAFRN COc1ccc(N[C@@H]2Oc3cc4c(cc3[C@H](c3cccc(OC)c3OC)[C@@H]2C)OCO4)cc1 ZINC000017252753 563021831 /nfs/dbraw/zinc/02/18/31/563021831.db2.gz TVACMCACOWTLJP-TYFWRAIDSA-N 0 0 449.503 5.040 1 0 IKAFRN Clc1ccc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000017224141 563021832 /nfs/dbraw/zinc/02/18/32/563021832.db2.gz LUJHXPLDZRUQDX-RGHJJJJLSA-N 0 0 427.375 6.655 1 0 IKAFRN O=C(Nc1cncnc1)c1c2onc(Nc3cccc(C(F)(F)F)c3)c2ccc1Cl ZINC000020149010 563023838 /nfs/dbraw/zinc/02/38/38/563023838.db2.gz FEGRQUWSKADGSP-UHFFFAOYSA-N 0 0 433.777 5.286 1 0 in-vivo IKAFRN COc1cccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)c1 ZINC000020508445 563024958 /nfs/dbraw/zinc/02/49/58/563024958.db2.gz BRFUUKJGWHULIG-DNQXCXABSA-N 0 0 448.588 5.010 1 0 IKAFRN c1ccc(C(OCCN2CCN(Cc3ccc4ccccc4n3)CC2)c2ccccc2)cc1 ZINC000022938643 563026608 /nfs/dbraw/zinc/02/66/08/563026608.db2.gz OWRMIHVAOORXAD-UHFFFAOYSA-N 0 0 437.587 5.159 1 0 IKAFRN Clc1ccc(CCN2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000022940704 563026809 /nfs/dbraw/zinc/02/68/09/563026809.db2.gz HGYMXYJBQMFVBQ-UHFFFAOYSA-N 0 0 432.222 5.703 1 0 IKAFRN C/C=C/c1cc(OCCCC(C)(C)C(=O)OC)ccc1OCCCC(C)(C)C(=O)OC ZINC000025974920 563027889 /nfs/dbraw/zinc/02/78/89/563027889.db2.gz DMMCKDBMXAINII-DHZHZOJOSA-N 0 0 434.573 5.436 1 0 IKAFRN CCCCC[C@@H](O[C@@H]1CCCCO1)c1cccc(OCc2cccc(C(=O)OC)c2)c1 ZINC000025985060 563028083 /nfs/dbraw/zinc/02/80/83/563028083.db2.gz LZMGDMPAIGSAHU-JWQCQUIFSA-N 0 0 426.553 6.217 1 0 IKAFRN CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(-c2ccccc2NC)n1 ZINC000026003257 563028198 /nfs/dbraw/zinc/02/81/98/563028198.db2.gz BWDYYUQXURRZMQ-UHFFFAOYSA-N 0 0 439.401 6.538 1 0 IKAFRN CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(-c2ccccc2N)n1 ZINC000026002117 563028255 /nfs/dbraw/zinc/02/82/55/563028255.db2.gz KFPLAKSBVJELBO-UHFFFAOYSA-N 0 0 425.374 6.078 1 0 IKAFRN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1CCCCCCc1ccccc1 ZINC000026022384 563028773 /nfs/dbraw/zinc/02/87/73/563028773.db2.gz JDROLWMPHLZOJX-UHFFFAOYSA-N 0 0 445.173 6.699 1 0 IKAFRN COc1ccc(-c2cc(NC(=O)C[C@@]34CCC[C@@H]3Cc3ccccc3C4)n[nH]2)cc1OC ZINC000026153557 563029082 /nfs/dbraw/zinc/02/90/82/563029082.db2.gz JRZOLZQPBHYTCP-IBVKSMDESA-N 0 0 431.536 5.008 1 0 IKAFRN COc1cccc2c1-c1ccc(NS(=O)(=O)c3ccccc3)cc1[C@@H](c1ccccc1)O2 ZINC000026179682 563029598 /nfs/dbraw/zinc/02/95/98/563029598.db2.gz LBPUUYGNAXELAJ-AREMUKBSSA-N 0 0 443.524 5.645 1 0 IKAFRN Clc1ccc2c(c1)nccc2NCCCCCNc1ccnc2cc(Cl)ccc21 ZINC000026250459 563030044 /nfs/dbraw/zinc/03/00/44/563030044.db2.gz JBTFFRGMIAACAO-UHFFFAOYSA-N 0 0 425.363 6.784 1 0 IKAFRN COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(=O)c3ccncc3)oc21 ZINC000026272955 563030475 /nfs/dbraw/zinc/03/04/75/563030475.db2.gz UHJAPZBOKPPKGD-UHFFFAOYSA-N 0 0 442.258 5.022 1 0 IKAFRN CCCc1c(O)c(C(=O)CC)ccc1COc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000026281681 563030741 /nfs/dbraw/zinc/03/07/41/563030741.db2.gz XQQMHJHLASHLPT-NDENLUEZSA-N 0 0 441.574 5.846 1 0 IKAFRN CCOP(=O)(Cc1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)no2)cc1)OCC ZINC000026382858 563031460 /nfs/dbraw/zinc/03/14/60/563031460.db2.gz JIYXZORPUQALDG-UHFFFAOYSA-N 0 0 448.843 6.013 1 0 IKAFRN Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 ZINC000026383694 563031492 /nfs/dbraw/zinc/03/14/92/563031492.db2.gz UNFATTHWEFKIAI-UHFFFAOYSA-N 0 0 435.449 6.043 1 0 IKAFRN CC(C)c1noc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)n1 ZINC000026384438 563031559 /nfs/dbraw/zinc/03/15/59/563031559.db2.gz WPMLCYWZCOSOQX-UHFFFAOYSA-N 0 0 438.318 5.704 1 0 IKAFRN CC(C)(C)n1nnnc1[C@@H](c1ccccn1)N(Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000026439041 563032011 /nfs/dbraw/zinc/03/20/11/563032011.db2.gz NUUCIGIMSHFSTN-HSZRJFAPSA-N 0 0 446.986 5.268 3 0 IKAFRN C=C1N=C(COCCC)C(C(=O)OCC)[C@H](c2cccc(Cl)c2Cl)C1C(=O)OC ZINC000026479041 563032225 /nfs/dbraw/zinc/03/22/25/563032225.db2.gz SZGWCYIBVYEMFM-PBEQFFAXSA-N 0 0 442.339 5.211 1 0 IKAFRN COc1ccc(C(=O)[C@@H](Nc2ccc(Cl)cc2Cl)c2ccccc2C)cc1OC ZINC000026481858 563032338 /nfs/dbraw/zinc/03/23/38/563032338.db2.gz CBJPBRZXQFWNOI-QFIPXVFZSA-N 0 0 430.331 6.355 1 0 IKAFRN CN(c1ccccc1Cl)[C@@H](C(=O)CCc1ccncc1)c1ccccc1Br ZINC000026485803 563032342 /nfs/dbraw/zinc/03/23/42/563032342.db2.gz TYZISUJFWJYTRN-JOCHJYFZSA-N 0 0 443.772 5.877 1 0 IKAFRN CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(-c4nn[nH]n4)cc3OC)c2c1 ZINC000026488525 563032437 /nfs/dbraw/zinc/03/24/37/563032437.db2.gz RWKLOFLZBJRUIT-KRWDZBQOSA-N 0 0 446.555 5.033 1 0 IKAFRN COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC1CCCC1 ZINC000026573608 563033463 /nfs/dbraw/zinc/03/34/63/563033463.db2.gz GFALNLVQJILPHP-PKTZIBPZSA-N 0 0 432.564 5.570 1 0 IKAFRN COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC1CCCC1 ZINC000026573605 563033474 /nfs/dbraw/zinc/03/34/74/563033474.db2.gz GFALNLVQJILPHP-DHIUTWEWSA-N 0 0 432.564 5.570 1 0 IKAFRN COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OC1CCCC1 ZINC000026574103 563033529 /nfs/dbraw/zinc/03/35/29/563033529.db2.gz VQMKXNJTGPRWCC-DHIUTWEWSA-N 0 0 436.596 5.868 1 0 IKAFRN Clc1ccccc1N1CCN(CCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 ZINC000026574275 563033536 /nfs/dbraw/zinc/03/35/36/563033536.db2.gz VZNSZPOJWAAUQR-UHFFFAOYSA-N 0 0 446.982 5.474 1 0 IKAFRN CNC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000026576487 563033711 /nfs/dbraw/zinc/03/37/11/563033711.db2.gz JSKGXFZDJKIKGY-SANMLTNESA-N 0 0 434.584 5.284 1 0 IKAFRN CCCC/C=C/C/C=C/CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000026577216 563033801 /nfs/dbraw/zinc/03/38/01/563033801.db2.gz YJBFWUHMTYPZKJ-AVQMFFATSA-N 0 0 443.672 7.611 1 0 IKAFRN CN(C)C(=O)Cc1cn(-c2ccc(C(C)(C)C)cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026576812 563033807 /nfs/dbraw/zinc/03/38/07/563033807.db2.gz QVUPATHZRPATDU-UHFFFAOYSA-N 0 0 430.379 5.774 1 0 IKAFRN CN(C)C(=O)Cc1cn(-c2cc(Cl)cc(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026577700 563033932 /nfs/dbraw/zinc/03/39/32/563033932.db2.gz RVQKHCVSTLZGHV-UHFFFAOYSA-N 0 0 443.161 5.784 1 0 IKAFRN CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026578322 563034011 /nfs/dbraw/zinc/03/40/11/563034011.db2.gz VNDUEQSFYJLZAA-UHFFFAOYSA-N 0 0 442.268 5.496 1 0 IKAFRN CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccccc1-c1ccccc1 ZINC000026578723 563034025 /nfs/dbraw/zinc/03/40/25/563034025.db2.gz KSWJMFBAAFQGDP-UHFFFAOYSA-N 0 0 449.476 5.856 1 0 IKAFRN Cc1cc(=O)oc2cc(SCc3n[nH]c4cccc(OCc5ccccc5)c43)ccc12 ZINC000026640609 563034373 /nfs/dbraw/zinc/03/43/73/563034373.db2.gz QPOXRROOBQZONU-UHFFFAOYSA-N 0 0 428.513 5.849 1 0 IKAFRN O=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 ZINC000026643838 563034480 /nfs/dbraw/zinc/03/44/80/563034480.db2.gz RMPIWQFGFXHWIX-UHFFFAOYSA-N 0 0 444.000 5.501 1 0 IKAFRN CC(C)c1ccc(CCCCCCCCc2ccc(C(C)C)cc(=O)c2O)c(O)c(=O)c1 ZINC000026651597 563034674 /nfs/dbraw/zinc/03/46/74/563034674.db2.gz AGMHNFCQFWMGEA-UHFFFAOYSA-N 0 0 438.608 6.191 1 0 IKAFRN CCn1cc(-c2ccc(Cl)cc2)c([C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 ZINC000026663793 563035112 /nfs/dbraw/zinc/03/51/12/563035112.db2.gz OFUNZKRKGDGTFJ-JOCHJYFZSA-N 0 0 430.766 6.969 1 0 IKAFRN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)N(C)C)CC1 ZINC000026666963 563035191 /nfs/dbraw/zinc/03/51/91/563035191.db2.gz 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CCOC(=O)/C=C/c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1 ZINC000026733599 563036023 /nfs/dbraw/zinc/03/60/23/563036023.db2.gz SISBBNMYWZZKRB-JLHYYAGUSA-N 0 0 430.522 5.201 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NS(=O)(=O)CC(=O)N(Cc1ccccc1)C(C)C ZINC000026741988 563036235 /nfs/dbraw/zinc/03/62/35/563036235.db2.gz PSBVMZBAKZHHIG-UHFFFAOYSA-N 0 0 430.614 5.112 1 0 IKAFRN C[C@@H](CCc1ccccc1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026816379 563036725 /nfs/dbraw/zinc/03/67/25/563036725.db2.gz HDUDAKONUNAOKY-SAGXJKBDSA-N 0 0 436.724 7.911 1 0 IKAFRN C=C/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C)CCC=C(C)C ZINC000026847392 563037740 /nfs/dbraw/zinc/03/77/40/563037740.db2.gz ATMHMBRPCUZUGJ-WKMIMHNDSA-N 0 0 438.740 9.982 1 0 IKAFRN Cc1c(Cc2cccc3ccccc32)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O ZINC000026851611 563037847 /nfs/dbraw/zinc/03/78/47/563037847.db2.gz CFFFHVMLJMFGFZ-UHFFFAOYSA-N 0 0 434.948 5.451 1 0 IKAFRN CCc1c(Cc2cccc3ccccc32)nc(SCC(=O)c2ccc(C)cc2)[nH]c1=O ZINC000026851991 563037823 /nfs/dbraw/zinc/03/78/23/563037823.db2.gz DIYGRRIDXGQXBP-UHFFFAOYSA-N 0 0 428.557 5.360 1 0 IKAFRN Cc1nc(-c2ccc(CSc3nc4ccccc4n3Cc3ccc(Cl)cc3)cc2)no1 ZINC000026942874 563037959 /nfs/dbraw/zinc/03/79/59/563037959.db2.gz BDYFUDKVHWMALQ-UHFFFAOYSA-N 0 0 446.963 6.389 1 0 IKAFRN COc1ccc2c(c1)[nH]c(-c1ccc(I)cc1)c2-c1ccncc1 ZINC000026992894 563038810 /nfs/dbraw/zinc/03/88/10/563038810.db2.gz RLXGVXYAJFUPNX-UHFFFAOYSA-N 0 0 426.257 5.510 1 0 IKAFRN CCN1[C@@H](c2ccc(-c3cc(S(=O)(=O)CC)ccc3OC)[nH]2)CC[C@H]1c1ccccc1 ZINC000026991305 563038825 /nfs/dbraw/zinc/03/88/25/563038825.db2.gz OVLGSRKGTAEWQF-BJKOFHAPSA-N 0 0 438.593 5.382 1 0 IKAFRN Cc1ccc(S(=O)(=O)n2cc([C@@H](c3ccccc3)n3ccnc3)c3ccccc32)cc1 ZINC000026996560 563038883 /nfs/dbraw/zinc/03/88/83/563038883.db2.gz XORQZPXHOQCAFD-RUZDIDTESA-N 0 0 427.529 5.021 1 0 IKAFRN O=C1CSC(=O)N1Cc1ccc2[nH]c(-c3ccccc3)c(CCc3ccccc3)c2c1 ZINC000027074232 563038953 /nfs/dbraw/zinc/03/89/53/563038953.db2.gz SANVBTUOCRVCNP-UHFFFAOYSA-N 0 0 426.541 5.816 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000027090215 563039279 /nfs/dbraw/zinc/03/92/79/563039279.db2.gz IRECZJUPOQSPQE-UHFFFAOYSA-N 0 0 435.254 5.473 1 0 IKAFRN CCCOc1cc(OCCC)c2c(c1)oc(-c1ccc(C(F)(F)F)cc1)c(CCC)c2=O ZINC000027091062 563039324 /nfs/dbraw/zinc/03/93/24/563039324.db2.gz NWCXMQBMRCTZPU-UHFFFAOYSA-N 0 0 448.481 7.009 1 0 IKAFRN O=S(=O)(Oc1cccc(OCCc2cccc(O)c2)c1)c1cccc(Cl)c1Cl ZINC000027090574 563039318 /nfs/dbraw/zinc/03/93/18/563039318.db2.gz WATOPTOMGPMSQL-UHFFFAOYSA-N 0 0 439.316 5.088 1 0 IKAFRN CC(C)c1ccc(-c2c3c(nnc2N2C(=O)c4ccccc4C2=O)c2ccccc2n3C)cc1 ZINC000027091419 563039363 /nfs/dbraw/zinc/03/93/63/563039363.db2.gz OOQOKDUBBBHTEM-UHFFFAOYSA-N 0 0 446.510 5.713 1 0 IKAFRN COc1ccc(CCC(C)(C)O)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1 ZINC000027183864 563040241 /nfs/dbraw/zinc/04/02/41/563040241.db2.gz LCMWCNTVGOEPLC-UHFFFAOYSA-N 0 0 426.463 5.047 1 0 IKAFRN O=C(Nc1cccc(Cl)c1)OC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000027193063 563040430 /nfs/dbraw/zinc/04/04/30/563040430.db2.gz PBWSCKUEUTWVRO-UHFFFAOYSA-N 0 0 443.334 5.668 1 0 IKAFRN COc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)[C@]2(Cc2ccccc2)c2ccccc2)cc1 ZINC000027199303 563040600 /nfs/dbraw/zinc/04/06/00/563040600.db2.gz YVMLENMEOAWVRP-PQHLKRTFSA-N 0 0 449.550 5.972 1 0 IKAFRN COc1ccc(Br)cc1CCc1c(F)cccc1-c1ncc2n1CCCC2 ZINC000027202788 563040709 /nfs/dbraw/zinc/04/07/09/563040709.db2.gz VPQGFLQYAKHIFJ-UHFFFAOYSA-N 0 0 429.333 5.582 1 0 IKAFRN CCCCCC[C@@H](O)C[C@@H]1C[C@H]1CCCCCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000027209442 563040985 /nfs/dbraw/zinc/04/09/85/563040985.db2.gz HMAPHNNSGQIIAM-TZRRMPRUSA-N 0 0 447.660 6.105 1 0 IKAFRN O=C1NCc2nc(Sc3ccc(F)cc3)ccc2N1c1ccccc1-c1ccccc1 ZINC000027312412 563041331 /nfs/dbraw/zinc/04/13/31/563041331.db2.gz VBAPQATVCRBCHB-UHFFFAOYSA-N 0 0 427.504 6.400 1 0 IKAFRN Cc1cc(C)c(Cc2cnc(SCCCCCCCCc3ccccc3)[nH]c2=O)cn1 ZINC000027312258 563041408 /nfs/dbraw/zinc/04/14/08/563041408.db2.gz XYDRPXPZSHKCFL-UHFFFAOYSA-N 0 0 435.637 6.048 1 0 IKAFRN CCC(CC)(COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)SN=O ZINC000027324147 563041577 /nfs/dbraw/zinc/04/15/77/563041577.db2.gz SYADWFBDSYWWQI-UHFFFAOYSA-N 0 0 441.380 6.796 1 0 IKAFRN Cc1cc(-c2c(F)cc3c(c2F)n(C2CC2)cc/c3=N\Sc2ccccn2)cc(C)n1 ZINC000027326897 563041595 /nfs/dbraw/zinc/04/15/95/563041595.db2.gz NTVPHUGGNXGBNQ-ZTKZIYFRSA-N 0 0 434.515 5.936 1 0 IKAFRN CCOC1=C[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@H]4c4ccoc4)[C@]3(C)[C@H](O)C[C@@H]2C(C)(C)C1=O ZINC000027407654 563041757 /nfs/dbraw/zinc/04/17/57/563041757.db2.gz BZOHFZWRZLRHFA-WYLXWXNTSA-N 0 0 438.608 6.032 1 0 IKAFRN CCCCCC(=O)SC[C@H](COP(=O)(OC)OC)SC(=O)CCCCC ZINC000027406033 563041806 /nfs/dbraw/zinc/04/18/06/563041806.db2.gz RVGULSGIFBEEHI-HNNXBMFYSA-N 0 0 428.553 5.453 1 0 IKAFRN CCOC1=C[C@@]2(C)[C@@H](C[C@@H](O)[C@@]3(C)C4=CC[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]23)C(C)(C)C1=O ZINC000027407657 563041822 /nfs/dbraw/zinc/04/18/22/563041822.db2.gz BZOHFZWRZLRHFA-GEGVKCNSSA-N 0 0 438.608 6.032 1 0 IKAFRN Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)c(Cl)c2)n2ccnc2)cc1Cl ZINC000027420380 563042056 /nfs/dbraw/zinc/04/20/56/563042056.db2.gz KEGZFTOUDFMRBB-FQEVSTJZSA-N 0 0 437.157 7.130 1 0 IKAFRN Clc1ccc([C@H](c2c[nH]cc2-c2ccc(Cl)c(Cl)c2)n2ccnc2)c(Cl)c1 ZINC000027421590 563042139 /nfs/dbraw/zinc/04/21/39/563042139.db2.gz VOZKRUYNVQHSHL-HXUWFJFHSA-N 0 0 437.157 7.130 1 0 IKAFRN Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(-n3cccc3)cc2)n2ccnc2)cc1Cl ZINC000027429094 563042297 /nfs/dbraw/zinc/04/22/97/563042297.db2.gz PIOGSIGDIAIBBK-DEOSSOPVSA-N 0 0 433.342 6.613 1 0 IKAFRN CC1=CC(=O)O[C@@H](CSc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)C1 ZINC000027441369 563042406 /nfs/dbraw/zinc/04/24/06/563042406.db2.gz YMQGBJHYRSOKOK-GOSISDBHSA-N 0 0 445.371 6.404 1 0 IKAFRN COC(=O)CC[C@@]1(C)C(=O)C[C@H](C)[C@H]2[C@H]3CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]21 ZINC000027517914 563042532 /nfs/dbraw/zinc/04/25/32/563042532.db2.gz XFCVTFKDDBKWIC-TWTSRPJJSA-N 0 0 432.689 7.076 1 0 IKAFRN COc1ccc(CCOC(=O)c2oc3cc(-c4ccccc4)cc(O)c3c2C)cc1OC ZINC000027522468 563042853 /nfs/dbraw/zinc/04/28/53/563042853.db2.gz QVLBOSJARHNTDR-UHFFFAOYSA-N 0 0 432.472 5.531 1 0 IKAFRN CCCCC1=[NH+]C(C)=C(C(=O)OCC)[C@H](C)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000027527059 563043370 /nfs/dbraw/zinc/04/33/70/563043370.db2.gz XVEBEOQWNQXWIV-IBGZPJMESA-N 0 0 448.563 5.682 1 0 IKAFRN C[C@@H](c1ccccc1)C(C)(C)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000027558472 563043990 /nfs/dbraw/zinc/04/39/90/563043990.db2.gz NAMBDBWCUHKJSA-GKVSMKOHSA-N 0 0 432.951 6.055 1 0 IKAFRN C[C@H](c1ccccc1)C(C)(C)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000027558477 563044029 /nfs/dbraw/zinc/04/40/29/563044029.db2.gz NAMBDBWCUHKJSA-CRICUBBOSA-N 0 0 432.951 6.055 1 0 IKAFRN CCCCc1nc2ccccc2c(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1 ZINC000027559617 563044135 /nfs/dbraw/zinc/04/41/35/563044135.db2.gz ZUYVNIUMTCHYOD-UHFFFAOYSA-N 0 0 436.519 5.399 1 0 IKAFRN O=C(OCc1ccccc1)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccccc3)cc2C1 ZINC000027562218 563044304 /nfs/dbraw/zinc/04/43/04/563044304.db2.gz OTYQLOYRZGZQKJ-UHFFFAOYSA-N 0 0 438.531 5.236 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)C[C@H](O)c2cc(O)c(C)c(C)c2O1 ZINC000027622461 563044557 /nfs/dbraw/zinc/04/45/57/563044557.db2.gz RTMPQUPEXZWPHH-YFLORBMESA-N 0 0 426.641 7.783 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c3ccccc3c2O1 ZINC000027622946 563044579 /nfs/dbraw/zinc/04/45/79/563044579.db2.gz SSMGTBPZZYREEN-NCTDYWOUSA-N 0 0 432.648 8.829 1 0 IKAFRN COc1ccc(O[C@H](CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000027629794 563044726 /nfs/dbraw/zinc/04/47/26/563044726.db2.gz UEZYAUDEJBRRAT-MUUNZHRXSA-N 0 0 447.550 6.220 1 0 IKAFRN O=C(CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027719977 563045835 /nfs/dbraw/zinc/04/58/35/563045835.db2.gz RWEZXMOANWKHPD-UHFFFAOYSA-N 0 0 448.488 6.069 1 0 IKAFRN O=C(CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000027725101 563045961 /nfs/dbraw/zinc/04/59/61/563045961.db2.gz HBPGIGZPSUTPFZ-UHFFFAOYSA-N 0 0 448.488 6.069 1 0 IKAFRN O=C(CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccccc1 ZINC000027726183 563046037 /nfs/dbraw/zinc/04/60/37/563046037.db2.gz HROHJOMKJYGXAS-UHFFFAOYSA-N 0 0 430.498 5.930 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000027730894 563046078 /nfs/dbraw/zinc/04/60/78/563046078.db2.gz CDKAMGZLXLOSQF-KKZPTNJXSA-N 0 0 437.668 7.370 1 0 IKAFRN CCOP(=O)(OCC)[C@@H](CCCCCCCOc1ccc(OC)cc1Cl)C(C)=O ZINC000027750489 563046696 /nfs/dbraw/zinc/04/66/96/563046696.db2.gz JVTHXBYIEUZQRQ-NRFANRHFSA-N 0 0 448.924 6.292 1 0 IKAFRN O=C(CCCN1Cc2c3cc(F)ccc3n(-c3ccc(F)cc3)c2C1)c1ccc(F)cc1 ZINC000027766706 563047137 /nfs/dbraw/zinc/04/71/37/563047137.db2.gz PXFBZPRZEGRHDN-UHFFFAOYSA-N 0 0 434.461 6.027 1 0 IKAFRN O=C(c1ccc(Cl)cc1Cl)N(C(=S)OCCOc1ccccc1)c1ccccc1 ZINC000027852328 563047387 /nfs/dbraw/zinc/04/73/87/563047387.db2.gz FAMFVKKBFLGZPI-UHFFFAOYSA-N 0 0 446.355 6.021 1 0 IKAFRN CCc1noc(CC)c1CCCCCCOc1cccc(I)c1 ZINC000027865409 563047577 /nfs/dbraw/zinc/04/75/77/563047577.db2.gz XWGPLNZGQOZNJG-UHFFFAOYSA-N 0 0 427.326 5.586 1 0 IKAFRN C[C@@H](COc1ccccc1)OC(=S)N(C(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000027873192 563047659 /nfs/dbraw/zinc/04/76/59/563047659.db2.gz FSJSMZKNFITQKS-FQEVSTJZSA-N 0 0 441.552 6.256 1 0 IKAFRN C[C@H](COc1ccccc1)OC(=S)N(C(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000027873200 563047684 /nfs/dbraw/zinc/04/76/84/563047684.db2.gz FSJSMZKNFITQKS-HXUWFJFHSA-N 0 0 441.552 6.256 1 0 IKAFRN COc1ccc([C@H]2SCc3c(sc(N)c3C(=O)c3cccc4ccccc43)S2)cc1 ZINC000027881219 563047889 /nfs/dbraw/zinc/04/78/89/563047889.db2.gz NZLXLHJQGKUDBB-QHCPKHFHSA-N 0 0 449.622 6.761 1 0 IKAFRN CCCCn1c2ccccc2c(CC(=O)N(Cc2ccncc2)C(C)C)c1-c1ccccc1 ZINC000027978596 563048445 /nfs/dbraw/zinc/04/84/45/563048445.db2.gz PAUHETWEYNGFFZ-UHFFFAOYSA-N 0 0 439.603 6.483 1 0 IKAFRN COc1cc2nccc(Oc3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c2cc1OC ZINC000027996000 563049037 /nfs/dbraw/zinc/04/90/37/563049037.db2.gz OMVNMDUDZWSHLS-UHFFFAOYSA-N 0 0 448.522 7.455 1 0 IKAFRN COc1cc2nccc(Oc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)c2cc1OC ZINC000028003951 563049357 /nfs/dbraw/zinc/04/93/57/563049357.db2.gz MVGVLFQYGBJIBJ-UHFFFAOYSA-N 0 0 429.516 7.134 1 0 IKAFRN CCc1nc2c(nc(C)cc2C)n1[C@@H]1CCCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21 ZINC000028022228 563050102 /nfs/dbraw/zinc/05/01/02/563050102.db2.gz PXZXEXJYCNMVNB-HSZRJFAPSA-N 0 0 449.562 5.383 1 0 IKAFRN COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000028061815 563050117 /nfs/dbraw/zinc/05/01/17/563050117.db2.gz XUCRODLSENDNGL-VWLOTQADSA-N 0 0 425.557 6.483 1 0 IKAFRN COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000028061920 563050133 /nfs/dbraw/zinc/05/01/33/563050133.db2.gz BGEQFDLBLSWCBY-DEOSSOPVSA-N 0 0 429.520 6.314 1 0 IKAFRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)Oc1ccc(O)cc1C(C)(C)C ZINC000028104714 563050729 /nfs/dbraw/zinc/05/07/29/563050729.db2.gz OCJPUXWNTITHMY-KQKSCMBMSA-N 0 0 448.647 8.127 1 0 IKAFRN CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1C ZINC000028123061 563051109 /nfs/dbraw/zinc/05/11/09/563051109.db2.gz IHEUNKNTHJYMRO-UHFFFAOYSA-N 0 0 432.351 6.364 1 0 IKAFRN Cn1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000028121444 563051110 /nfs/dbraw/zinc/05/11/10/563051110.db2.gz UTUDVDCNXWUOLJ-UHFFFAOYSA-N 0 0 429.351 5.192 1 0 IKAFRN CCCN1C(=O)c2ccccc2[C@]1(NC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000028131982 563051371 /nfs/dbraw/zinc/05/13/71/563051371.db2.gz MEIUKHKAHGJIIJ-NDEPHWFRSA-N 0 0 426.560 5.481 1 0 IKAFRN CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2-c2ccccc2)cc1 ZINC000028132807 563051437 /nfs/dbraw/zinc/05/14/37/563051437.db2.gz SHENWHNZEBMYCR-UHFFFAOYSA-N 0 0 425.532 6.416 1 0 IKAFRN C[C@]12CC[C@@]34C[C@@]35CCC(=O)C(C)(C)[C@H]5CC[C@@H]4[C@]1(C)CC(=O)[C@H]2[C@]1(C)CCC(=O)O1 ZINC000028133708 563051460 /nfs/dbraw/zinc/05/14/60/563051460.db2.gz GKSVQWYECDVFIR-FIBWZTEMSA-N 0 0 426.597 5.269 1 0 IKAFRN COc1ccc2c(c1)OC[C@@H]1c3cc(CC=C(C)C)c(OCc4ccccc4)cc3O[C@@H]21 ZINC000028235362 563051969 /nfs/dbraw/zinc/05/19/69/563051969.db2.gz JRWOUKPHCMPPQM-YWEHKCAJSA-N 0 0 428.528 6.393 1 0 IKAFRN COc1ccc2c(c1)OC[C@H]1c3cc(CC=C(C)C)c(OCc4ccccc4)cc3O[C@H]21 ZINC000028235357 563051977 /nfs/dbraw/zinc/05/19/77/563051977.db2.gz JRWOUKPHCMPPQM-RBJSKKJNSA-N 0 0 428.528 6.393 1 0 IKAFRN COc1ccc2c(c1)OC[C@@H]1c3cc(O)c(OCc4ccc5ccccc5c4)cc3O[C@@H]21 ZINC000028234434 563051991 /nfs/dbraw/zinc/05/19/91/563051991.db2.gz OAAGGNKGWAQYDG-AMGIVPHBSA-N 0 0 426.468 5.743 1 0 IKAFRN COc1ccc2c(c1)OC[C@@H]1c3cc(CC=C(C)C)c(OCc4ccccc4)cc3O[C@H]21 ZINC000028235367 563052012 /nfs/dbraw/zinc/05/20/12/563052012.db2.gz JRWOUKPHCMPPQM-UFHPHHKVSA-N 0 0 428.528 6.393 1 0 IKAFRN O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1Cc1c[nH]c2ccc(Br)cc12 ZINC000028240169 563052095 /nfs/dbraw/zinc/05/20/95/563052095.db2.gz FCIKGGIPOUYDRS-QFIPXVFZSA-N 0 0 444.332 5.331 1 0 IKAFRN COc1cc(NS(C)(=O)=O)ccc1Nc1c2c(nc3ccccc31)-c1ccccc1[C@H]2C ZINC000028264809 563052434 /nfs/dbraw/zinc/05/24/34/563052434.db2.gz KTAGYDFYEVETGX-OAHLLOKOSA-N 0 0 445.544 5.491 1 0 IKAFRN Cc1nc2ccc(CSC(=S)N(C3CCCCC3)C3CCCCC3)cc2c(=O)[nH]1 ZINC000028341389 563052846 /nfs/dbraw/zinc/05/28/46/563052846.db2.gz WPQNJMPHVVVKDZ-UHFFFAOYSA-N 0 0 429.655 5.717 1 0 IKAFRN O=C(NC1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)o1 ZINC000028344879 563052928 /nfs/dbraw/zinc/05/29/28/563052928.db2.gz PURDSVFWSRTGGS-UHFFFAOYSA-N 0 0 449.765 7.031 1 0 IKAFRN C[C@]1(C2CCCC2)Cc2cc(OCCCCCc3nn[nH]n3)c(Cl)c(Cl)c2C1=O ZINC000028344185 563052961 /nfs/dbraw/zinc/05/29/61/563052961.db2.gz OMDAXCSLKUCCJH-OAQYLSRUSA-N 0 0 437.371 5.234 1 0 IKAFRN CCCN(CC1CC1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(Cl)cc1Cl ZINC000028351856 563053202 /nfs/dbraw/zinc/05/32/02/563053202.db2.gz SJLZQMRSCAOZGH-UHFFFAOYSA-N 0 0 435.399 5.475 1 0 IKAFRN CC(C)c1ccccc1Sc1ccc(-c2coc(N3CCCCC3)n2)cc1C(F)(F)F ZINC000028357656 563053359 /nfs/dbraw/zinc/05/33/59/563053359.db2.gz BCKMDCAQOKRTLA-UHFFFAOYSA-N 0 0 446.538 7.625 1 0 IKAFRN Cc1ccc(CNc2ncnc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc32)cc1 ZINC000028355614 563053364 /nfs/dbraw/zinc/05/33/64/563053364.db2.gz KIHFBFIDDXUUIZ-UHFFFAOYSA-N 0 0 439.469 5.953 1 0 IKAFRN O=C(COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12)Nc1cccc(F)c1 ZINC000028360367 563053455 /nfs/dbraw/zinc/05/34/55/563053455.db2.gz IBPFIDYXUPHUMF-UHFFFAOYSA-N 0 0 432.426 5.388 1 0 IKAFRN COc1cc(NC(=O)c2ccccc2F)ccc1NC(=S)N[C@H](C)c1ccc(F)cc1 ZINC000028358273 563053464 /nfs/dbraw/zinc/05/34/64/563053464.db2.gz XRQNUTZTXDUUGY-CQSZACIVSA-N 0 0 441.503 5.273 1 0 IKAFRN Cc1cc(NC(=S)N[C@@H](C)c2ccc(F)cc2)ccc1NC(=O)c1ccccc1F ZINC000028362633 563053522 /nfs/dbraw/zinc/05/35/22/563053522.db2.gz PDCXXGAUIABRGY-HNNXBMFYSA-N 0 0 425.504 5.573 1 0 IKAFRN Cc1cc(NC(=O)c2ccccc2F)ccc1NC(=S)N[C@@H](C)c1ccc(F)cc1 ZINC000028363240 563053543 /nfs/dbraw/zinc/05/35/43/563053543.db2.gz HTVPKXUFEKZHIE-HNNXBMFYSA-N 0 0 425.504 5.573 1 0 IKAFRN C[C@@H]1CN(c2ccccc2Sc2ccc(-c3ccccc3)cc2)[C@@H](C)C[N@@H+]1CC(=O)[O-] ZINC000028363717 563053545 /nfs/dbraw/zinc/05/35/45/563053545.db2.gz ZUESIWVTDPYSCL-UXHICEINSA-N 0 0 432.589 5.488 1 0 IKAFRN C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1csc2ccccc21 ZINC000028364714 563053599 /nfs/dbraw/zinc/05/35/99/563053599.db2.gz JJIUHMUFQAHWMA-HNNXBMFYSA-N 0 0 449.576 6.340 1 0 IKAFRN C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccc(Cl)cc1 ZINC000028363825 563053616 /nfs/dbraw/zinc/05/36/16/563053616.db2.gz SUWGJAQKGMMPAP-AWEZNQCLSA-N 0 0 427.932 5.779 1 0 IKAFRN C[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1csc2ccccc21 ZINC000028364706 563053621 /nfs/dbraw/zinc/05/36/21/563053621.db2.gz JJIUHMUFQAHWMA-OAHLLOKOSA-N 0 0 449.576 6.340 1 0 IKAFRN CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccc(Cl)c2)[C@H](c2ccccc2)O1 ZINC000028368778 563053694 /nfs/dbraw/zinc/05/36/94/563053694.db2.gz PZNPRLYMERPEMZ-GOTSBHOMSA-N 0 0 436.939 6.021 1 0 IKAFRN CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1C ZINC000028378384 563053945 /nfs/dbraw/zinc/05/39/45/563053945.db2.gz SIBRGSBVGDWJAF-UHFFFAOYSA-N 0 0 432.298 6.477 1 0 IKAFRN COc1cc2ncnc(Nc3cc(NC(=O)c4ccccc4)ccc3Cl)c2cc1OC ZINC000028376551 563053966 /nfs/dbraw/zinc/05/39/66/563053966.db2.gz DXUCAMWEVMMXHE-UHFFFAOYSA-N 0 0 434.883 5.296 1 0 IKAFRN CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccc(C)c1 ZINC000028377459 563053980 /nfs/dbraw/zinc/05/39/80/563053980.db2.gz MUPIUJYENVWEKT-UHFFFAOYSA-N 0 0 432.298 6.477 1 0 IKAFRN C[C@@H](CC(C)(C)C)Oc1cccc2ccc(NCc3ccc(-c4ccccc4Cl)o3)nc21 ZINC000028381552 563054038 /nfs/dbraw/zinc/05/40/38/563054038.db2.gz MNBOFLCSNXJHFJ-SFHVURJKSA-N 0 0 448.994 7.964 1 0 IKAFRN CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)s1 ZINC000028381485 563054064 /nfs/dbraw/zinc/05/40/64/563054064.db2.gz CODBDPSWMPVNIW-UHFFFAOYSA-N 0 0 438.327 6.539 1 0 IKAFRN CC[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000028820726 563065281 /nfs/dbraw/zinc/06/52/81/563065281.db2.gz ZRSYVTWEOKQGPM-CYBMUJFWSA-N 0 0 431.772 5.428 1 0 IKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(OC)cc3)cc2)C(=O)C(C)C)c1 ZINC000028461415 563055061 /nfs/dbraw/zinc/05/50/61/563055061.db2.gz FEDIPMIHWRZNPR-LICLKQGHSA-N 0 0 443.543 5.738 1 0 IKAFRN COc1cccc(Nc2nc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3s2)c1 ZINC000028460877 563055081 /nfs/dbraw/zinc/05/50/81/563055081.db2.gz CNGQGTXMJSFHNT-UHFFFAOYSA-N 0 0 444.343 6.608 1 0 IKAFRN Cc1c2ccn(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000028461852 563055176 /nfs/dbraw/zinc/05/51/76/563055176.db2.gz FGYRNUQINXXIOB-UHFFFAOYSA-N 0 0 433.556 5.414 1 0 IKAFRN COc1c([C@@H](O)CCC(C)C)ccc2c1C(=O)Oc1cc(C)cc(OCCC(C)C)c1O2 ZINC000028462419 563055208 /nfs/dbraw/zinc/05/52/08/563055208.db2.gz VNMSPVJMWDGYMJ-IBGZPJMESA-N 0 0 442.552 6.223 1 0 IKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(C(C)(C)C)cc2)C(=O)C2CCCCC2)c1 ZINC000028466491 563055262 /nfs/dbraw/zinc/05/52/62/563055262.db2.gz OHNQSPLCHVWSRT-OBGWFSINSA-N 0 0 433.592 6.284 1 0 IKAFRN Cn1cc(-c2ccc(-n3cccc3)cc2)c([C@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 ZINC000028467792 563055381 /nfs/dbraw/zinc/05/53/81/563055381.db2.gz DEKRDBRWCDKYAG-VWLOTQADSA-N 0 0 447.369 6.624 1 0 IKAFRN COc1c([C@H](O)CC(C)(C)C)ccc2c1C(=O)Oc1cc(C)cc(OCCC(C)C)c1O2 ZINC000028467728 563055397 /nfs/dbraw/zinc/05/53/97/563055397.db2.gz ZNLXPUXVJIRZEU-GOSISDBHSA-N 0 0 442.552 6.223 1 0 IKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3cccc(Cl)c3)cc2)C(=O)C(C)C)c1 ZINC000028469357 563055438 /nfs/dbraw/zinc/05/54/38/563055438.db2.gz GESGVERTKKIPBY-NTCAYCPXSA-N 0 0 447.962 6.382 1 0 IKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(C)cc3)cc2)C(=O)C(C)C)c1 ZINC000028470006 563055455 /nfs/dbraw/zinc/05/54/55/563055455.db2.gz WRRJHMNAEVJZSQ-SFQUDFHCSA-N 0 0 427.544 6.037 1 0 IKAFRN Clc1ccc(-c2cc(-c3ccncc3)nc(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000028472176 563055567 /nfs/dbraw/zinc/05/55/67/563055567.db2.gz OQAJXPHPFFZTCV-UHFFFAOYSA-N 0 0 427.939 5.186 1 0 IKAFRN CCCn1cc(-c2ccc(Cl)cc2)c([C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 ZINC000028473762 563055641 /nfs/dbraw/zinc/05/56/41/563055641.db2.gz GOIJKKQZIHTWJK-HSZRJFAPSA-N 0 0 444.793 7.360 1 0 IKAFRN O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1 ZINC000028477611 563055824 /nfs/dbraw/zinc/05/58/24/563055824.db2.gz GFYCXLQAPXNSNG-DHZHZOJOSA-N 0 0 426.442 5.291 1 0 IKAFRN Cn1cncc1[C@](O)(c1ccccc1)c1ccc2ccn(-c3cccc4ccccc43)c2c1 ZINC000028523309 563056175 /nfs/dbraw/zinc/05/61/75/563056175.db2.gz ISMWSFRHVODFBY-LJAQVGFWSA-N 0 0 429.523 5.801 1 0 IKAFRN FC(F)(F)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4[nH]cnc4c3)n2)cc1 ZINC000028523316 563056191 /nfs/dbraw/zinc/05/61/91/563056191.db2.gz NQKABCULLZHVKS-UHFFFAOYSA-N 0 0 438.335 5.878 1 0 IKAFRN CC(C)(C)CC(=O)Nc1ccc2c(cc(CNc3ccccc3)n2Cc2ccccc2F)c1 ZINC000028524018 563056368 /nfs/dbraw/zinc/05/63/68/563056368.db2.gz PELMSXQTEQOWAF-UHFFFAOYSA-N 0 0 443.566 6.816 1 0 IKAFRN COc1ccc(Cl)cc1CSc1nc2cc(NC(=O)C3CC3)ccc2n1C(C)C ZINC000028524709 563056532 /nfs/dbraw/zinc/05/65/32/563056532.db2.gz GIWAEHVHCGFNNL-UHFFFAOYSA-N 0 0 429.973 5.920 1 0 IKAFRN CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccc(C)cc2C)n1 ZINC000028524861 563056581 /nfs/dbraw/zinc/05/65/81/563056581.db2.gz GGFLYPLURFGGAK-UHFFFAOYSA-N 0 0 435.455 5.108 1 0 IKAFRN NC(=O)c1cccc(-c2nnc(Nc3ccc(OC(F)(F)Cl)cc3)c3ccccc32)c1 ZINC000028524939 563056620 /nfs/dbraw/zinc/05/66/20/563056620.db2.gz VGFSYPYIYIDKBH-UHFFFAOYSA-N 0 0 440.837 5.307 1 0 IKAFRN O=C(c1ccccc1OCc1csc(-c2ccc(Cl)cc2)n1)N1CCCCCC1 ZINC000028524893 563056624 /nfs/dbraw/zinc/05/66/24/563056624.db2.gz VIVGUNLNPWOKMI-UHFFFAOYSA-N 0 0 426.969 6.059 1 0 IKAFRN O=C(c1ccccc1OCc1csc(-c2ccc(Cl)cc2)n1)N1CCCCCCC1 ZINC000028525282 563056653 /nfs/dbraw/zinc/05/66/53/563056653.db2.gz AIVJXRMTHXGBDV-UHFFFAOYSA-N 0 0 440.996 6.449 1 0 IKAFRN COc1ccc(C(C)=O)cc1CSc1nc2cc(NC(=O)C3CC3)ccc2n1C(C)C ZINC000028525279 563056715 /nfs/dbraw/zinc/05/67/15/563056715.db2.gz ZZNUKHXBVVUNMR-UHFFFAOYSA-N 0 0 437.565 5.469 1 0 IKAFRN C[C@]1(C(=O)NCC2(c3ccccc3)CCCCC2)CCC[C@]2(C)c3ccccc3CC[C@@H]12 ZINC000028526539 563056983 /nfs/dbraw/zinc/05/69/83/563056983.db2.gz PXRKUDZYCJZQBB-CMYDWJSCSA-N 0 0 429.648 6.715 1 0 IKAFRN Clc1ccc(-c2noc(C34CCC(c5nnc6n5CCCCCC6)(CC3)CC4)n2)cc1 ZINC000028529086 563057279 /nfs/dbraw/zinc/05/72/79/563057279.db2.gz YWNBNSZDPNFYMX-UHFFFAOYSA-N 0 0 437.975 5.642 1 0 IKAFRN Cn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc1Cc1c(Cl)cccc1Cl ZINC000028562728 563057641 /nfs/dbraw/zinc/05/76/41/563057641.db2.gz QEQDNVBKPGWOCU-UHFFFAOYSA-N 0 0 428.241 5.589 1 0 IKAFRN COc1ccc(NC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Br ZINC000028563554 563057690 /nfs/dbraw/zinc/05/76/90/563057690.db2.gz JMGLWPJREYTEQH-UHFFFAOYSA-N 0 0 437.297 5.645 1 0 IKAFRN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000028563739 563057694 /nfs/dbraw/zinc/05/76/94/563057694.db2.gz IBGURGMZOOZDSZ-UHFFFAOYSA-N 0 0 444.498 6.417 1 0 IKAFRN CC[C@H](C)c1ncc([C@@H](O)C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569296 563058799 /nfs/dbraw/zinc/05/87/99/563058799.db2.gz KIYFWZZYGGXOPQ-LRDDRELGSA-N 0 0 438.412 5.387 1 0 IKAFRN CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000028569334 563058818 /nfs/dbraw/zinc/05/88/18/563058818.db2.gz CIZGZRCBMJRIFK-FKEZBPIESA-N 0 0 430.717 6.996 1 0 in-vivo IKAFRN CC(F)(F)Cn1cnc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)c1=O ZINC000028569846 563058984 /nfs/dbraw/zinc/05/89/84/563058984.db2.gz UDTAPYABKMLLTD-UHFFFAOYSA-N 0 0 435.261 5.211 1 0 IKAFRN Cc1ccc([C@H](CC(=O)[O-])Cc2csc(CCCc3ccc4c([nH+]3)NCCC4)n2)cc1 ZINC000028569743 563059038 /nfs/dbraw/zinc/05/90/38/563059038.db2.gz BWTGSGUCWZRNSU-FQEVSTJZSA-N 0 0 435.593 5.181 1 0 IKAFRN O=C([O-])C[C@H](Cc1csc(CCCc2ccc3c([nH+]2)NCCC3)n1)c1cccc(F)c1 ZINC000028570414 563059066 /nfs/dbraw/zinc/05/90/66/563059066.db2.gz UVNKAYDKTALKMK-SFHVURJKSA-N 0 0 439.556 5.012 1 0 IKAFRN Cn1cnc(NCc2ccc3ccccc3n2)c1-c1nnc(Nc2ccc(Cl)cc2)o1 ZINC000028570550 563059150 /nfs/dbraw/zinc/05/91/50/563059150.db2.gz VFDRTXUIXBLCBJ-UHFFFAOYSA-N 0 0 431.887 5.027 1 0 IKAFRN COc1ccc(NCCNC(=O)[C@H](CC(C)C)Oc2ccccc2-c2ccccc2)cc1 ZINC000028570999 563059167 /nfs/dbraw/zinc/05/91/67/563059167.db2.gz BQUFZKSFNJHBFQ-SANMLTNESA-N 0 0 432.564 5.384 1 0 IKAFRN CN(C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1 ZINC000028571243 563059201 /nfs/dbraw/zinc/05/92/01/563059201.db2.gz YPDPPCHRJSBOBT-UHFFFAOYSA-N 0 0 437.383 6.597 1 0 IKAFRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccccc1-c1ccccc1 ZINC000028571002 563059224 /nfs/dbraw/zinc/05/92/24/563059224.db2.gz MUZDMKDXKSNMIN-UHFFFAOYSA-N 0 0 437.383 6.663 1 0 IKAFRN CC(C)CO[C@H]1[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H](c2ccccc2)[C@@H]1OCC(C)C ZINC000028571366 563059278 /nfs/dbraw/zinc/05/92/78/563059278.db2.gz DGUOKZVYZOMYSI-UBMUWRQFSA-N 0 0 440.580 5.323 1 0 IKAFRN COc1ccc(CC[C@@H](O)[C@@H]2CCC[C@H]2C(=O)NCc2cc(Cl)cc(Cl)c2)cc1 ZINC000028571836 563059371 /nfs/dbraw/zinc/05/93/71/563059371.db2.gz LZRBUCARILGKPQ-YPAWHYETSA-N 0 0 436.379 5.028 1 0 IKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc4cc(-c5cccs5)ccc4n3)[C@H]12 ZINC000028571644 563059382 /nfs/dbraw/zinc/05/93/82/563059382.db2.gz SKKQQWRZSZAAEU-DZKNTESXSA-N 0 0 443.612 6.981 1 0 IKAFRN Cc1ccc(-c2ccc(-c3nc4cc(C=C5SC(=S)NC5=O)ccc4[nH]3)s2)cc1C ZINC000028571953 563059463 /nfs/dbraw/zinc/05/94/63/563059463.db2.gz YDDWSGWOIMOMTN-JAIQZWGSSA-N 0 0 447.610 6.904 1 0 IKAFRN COc1ccc(NCCNC(=O)[C@H](CC(C)C)Oc2ccc(Oc3ccccc3)cc2)cc1 ZINC000028572115 563059504 /nfs/dbraw/zinc/05/95/04/563059504.db2.gz YXIDMSYSWZDFOL-SANMLTNESA-N 0 0 448.563 5.509 1 0 IKAFRN O=C(Cc1ccc(Cl)cc1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Br)cc1 ZINC000028572013 563059506 /nfs/dbraw/zinc/05/95/06/563059506.db2.gz QGUZIOXBCLTTES-LJQANCHMSA-N 0 0 443.728 5.616 1 0 IKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC(F)(F)CC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4F)cn3)[C@H]12 ZINC000028604523 563059786 /nfs/dbraw/zinc/05/97/86/563059786.db2.gz ONZZMHHKHGNOGU-CEBWBDALSA-N 0 0 441.493 6.150 1 0 IKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3ccc(Br)c4[nH]nc(N)c43)cc2)c1 ZINC000028604331 563059789 /nfs/dbraw/zinc/05/97/89/563059789.db2.gz KJIQOAPOQQAKNT-UHFFFAOYSA-N 0 0 436.313 5.527 1 0 IKAFRN CC(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028641347 563060289 /nfs/dbraw/zinc/06/02/89/563060289.db2.gz PLYDUKKPAOVOGM-UHFFFAOYSA-N 0 0 434.665 6.107 1 0 IKAFRN CC[C@@H](C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028641520 563060340 /nfs/dbraw/zinc/06/03/40/563060340.db2.gz DCVGIVBKUXTIDT-IMDGPYFBSA-N 0 0 448.692 6.497 1 0 IKAFRN O=C(NCc1ccc(Cl)cc1)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F ZINC000028645313 563060702 /nfs/dbraw/zinc/06/07/02/563060702.db2.gz ZFDKSFGRFWYNSB-UHFFFAOYSA-N 0 0 441.240 5.476 1 0 IKAFRN CC(C)=C(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C ZINC000028646758 563060762 /nfs/dbraw/zinc/06/07/62/563060762.db2.gz CIBNJPPYSPYHDB-UEBIAWITSA-N 0 0 440.756 8.559 1 0 IKAFRN CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C ZINC000028646766 563060798 /nfs/dbraw/zinc/06/07/98/563060798.db2.gz IQGSJIIKMZFWSP-XLWCLXEDSA-N 0 0 442.728 7.428 1 0 IKAFRN O=C1CS[C@H](c2c(F)cccc2F)N1c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000028647357 563060902 /nfs/dbraw/zinc/06/09/02/563060902.db2.gz VDQQCNCLLBAFKS-GOSISDBHSA-N 0 0 437.393 5.219 1 0 IKAFRN O=C(NC1CCCCC1)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 ZINC000028648895 563060996 /nfs/dbraw/zinc/06/09/96/563060996.db2.gz FDSVRRAVMKJSOK-UHFFFAOYSA-N 0 0 426.347 6.180 1 0 IKAFRN Fc1ccc(-c2nc3c(NC4CC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000028703250 563061699 /nfs/dbraw/zinc/06/16/99/563061699.db2.gz LSTRFFKQHUBMHU-UHFFFAOYSA-N 0 0 428.515 5.526 1 0 IKAFRN Cc1c(CCCC(=O)N2CCOCC2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1 ZINC000028704775 563061911 /nfs/dbraw/zinc/06/19/11/563061911.db2.gz FJABBTMJKGRBKM-UHFFFAOYSA-N 0 0 445.390 5.486 1 0 IKAFRN COc1ccc(-c2c(C)c3c(n2-c2ccccc2Cl)CCN(C2CCCCC2)C3=O)cc1 ZINC000028706548 563061983 /nfs/dbraw/zinc/06/19/83/563061983.db2.gz JRVWFHJARYIPGM-UHFFFAOYSA-N 0 0 448.994 6.446 1 0 IKAFRN O=C([O-])C[C@H](c1ccccc1)n1ccc2c1cccc2CCc1ccc2c([nH+]1)NCCC2 ZINC000028707412 563062104 /nfs/dbraw/zinc/06/21/04/563062104.db2.gz NIGWPUUZRHIDKJ-RUZDIDTESA-N 0 0 425.532 5.244 1 0 IKAFRN CSc1ccc(OCc2nnc3n2N=C(c2ccc(Cl)cc2Cl)CS3)cc1 ZINC000028709026 563062364 /nfs/dbraw/zinc/06/23/64/563062364.db2.gz GTQSBUXQQULLLZ-UHFFFAOYSA-N 0 0 437.377 5.244 1 0 IKAFRN CCOC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000028710929 563062676 /nfs/dbraw/zinc/06/26/76/563062676.db2.gz TYTCJQOEQFMSEX-UHFFFAOYSA-N 0 0 428.332 5.754 1 0 IKAFRN CC(=O)N(C)Cc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F ZINC000028711195 563062694 /nfs/dbraw/zinc/06/26/94/563062694.db2.gz DLHBWQRROLAMTA-UHFFFAOYSA-N 0 0 441.428 5.286 1 0 IKAFRN CC(C)N(C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C=C([N+](=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000028758685 563063480 /nfs/dbraw/zinc/06/34/80/563063480.db2.gz CIVNKRZMTRFCKS-QQINFNOISA-N 0 0 428.617 5.981 1 0 IKAFRN Oc1cc2c(cc1CCCOc1ccc(C3N=NN=N3)cc1)O[C@@H](CCc1ccccc1)C2 ZINC000028760699 563063662 /nfs/dbraw/zinc/06/36/62/563063662.db2.gz NJENEYMNBSYNKP-QHCPKHFHSA-N 0 0 442.519 6.172 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC/C=C/[N+](=O)[O-] ZINC000028760650 563063667 /nfs/dbraw/zinc/06/36/67/563063667.db2.gz ZZXRRUPGFUOJKD-FZOFMSDHSA-N 0 0 427.673 9.429 1 0 IKAFRN CON=c1nc[nH]c2ncn(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c21 ZINC000028816825 563064622 /nfs/dbraw/zinc/06/46/22/563064622.db2.gz KDBBTZNUASGUNY-MLAGYPMBSA-N 0 0 437.632 6.945 1 0 IKAFRN FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1C(F)(F)F ZINC000028817604 563064681 /nfs/dbraw/zinc/06/46/81/563064681.db2.gz QMEHDIMPVRIRCI-UHFFFAOYSA-N 0 0 427.175 6.515 1 0 IKAFRN FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1-c1ccccn1 ZINC000028817692 563064706 /nfs/dbraw/zinc/06/47/06/563064706.db2.gz MLGGACGKSUDFQG-UHFFFAOYSA-N 0 0 436.264 6.558 1 0 IKAFRN FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(OC(F)(F)F)cc1 ZINC000028817626 563064714 /nfs/dbraw/zinc/06/47/14/563064714.db2.gz JGAXMONGXBUVJU-UHFFFAOYSA-N 0 0 443.174 6.395 1 0 IKAFRN FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(C(F)(F)F)c1 ZINC000028817606 563064717 /nfs/dbraw/zinc/06/47/17/563064717.db2.gz QQLWQLNGQIYSBB-UHFFFAOYSA-N 0 0 427.175 6.515 1 0 IKAFRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](C)Cc2c[nH]c3ccccc23)c(C(C)C)c1 ZINC000028820696 563065242 /nfs/dbraw/zinc/06/52/42/563065242.db2.gz FBTRYXIBCVQSAZ-LJQANCHMSA-N 0 0 440.653 6.448 1 0 IKAFRN COc1ccc2[nH]cc(C[C@H](C)NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)c2c1 ZINC000028820813 563065361 /nfs/dbraw/zinc/06/53/61/563065361.db2.gz KTXMAJWIFJSDGJ-JTQLQIEISA-N 0 0 447.771 5.046 1 0 IKAFRN CCOC(=O)CCCCCCn1c(C)nc(-c2ccc(F)cc2)c1-c1ccc(F)cc1 ZINC000028821694 563065475 /nfs/dbraw/zinc/06/54/75/563065475.db2.gz BZNKOJZOSNRABX-UHFFFAOYSA-N 0 0 426.507 6.317 1 0 IKAFRN CC[C@H]1O[C@H](c2ccccc2)[C@@]2(C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2)[C@@H]1O ZINC000028822308 563065678 /nfs/dbraw/zinc/06/56/78/563065678.db2.gz NKUPRKKJSZEXER-JITYDXEOSA-N 0 0 427.544 5.229 1 0 IKAFRN O=C(NCCc1ccc(-c2cc3ccccc3n2C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000028822995 563065847 /nfs/dbraw/zinc/06/58/47/563065847.db2.gz NUXVHTUSPPVIQJ-UHFFFAOYSA-N 0 0 444.534 5.969 1 0 IKAFRN [NH3+][C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000028823103 563065851 /nfs/dbraw/zinc/06/58/51/563065851.db2.gz WUMHPVXOKHPCMF-FQEVSTJZSA-N 0 0 431.479 5.142 1 0 IKAFRN CC(C)(C)OC(=O)n1c(-c2ccc(CCC(=O)Nc3ccccc3)cc2)cc2ccccc21 ZINC000028822993 563065885 /nfs/dbraw/zinc/06/58/85/563065885.db2.gz CWWNQIXWUGATTK-UHFFFAOYSA-N 0 0 440.543 6.663 1 0 IKAFRN C[C@@H](C1CCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823222 563065965 /nfs/dbraw/zinc/06/59/65/563065965.db2.gz QFAZGRCQNSLFAZ-AWEZNQCLSA-N 0 0 428.381 5.260 1 0 IKAFRN OCCCCCCCCCCCCCCc1c(O)cc(/C=C/c2ccc(O)cc2)cc1O ZINC000028823589 563065973 /nfs/dbraw/zinc/06/59/73/563065973.db2.gz HQCBXIJHGLAEDP-CCEZHUSRSA-N 0 0 440.624 7.190 1 0 IKAFRN CC(C)SCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C[C@]35CC[C@]12C)CC[C@H](O)C4(C)C ZINC000028825345 563066270 /nfs/dbraw/zinc/06/62/70/563066270.db2.gz RCCUSRZZXQUAQP-BTYJYMNQSA-N 0 0 446.785 7.954 1 0 in-vivo IKAFRN CC[C@]1(C[C@@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826130 563066397 /nfs/dbraw/zinc/06/63/97/563066397.db2.gz PUKRFHNVKSXPBK-DNQXCXABSA-N 0 0 429.482 5.369 1 0 IKAFRN Cc1ccc2c(cccc2NC[C@@](O)(C[C@]2(C)CCCc3ccccc32)C(F)(F)F)n1 ZINC000028826275 563066464 /nfs/dbraw/zinc/06/64/64/563066464.db2.gz DHLZHFIJSYWCJK-ZEQRLZLVSA-N 0 0 428.498 5.933 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000028862474 563066841 /nfs/dbraw/zinc/06/68/41/563066841.db2.gz RRDSVYGZMKNAFC-IBGZPJMESA-N 0 0 439.276 6.345 1 0 IKAFRN COc1ccc(CSc2nc([C@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862817 563066906 /nfs/dbraw/zinc/06/69/06/563066906.db2.gz XLLBUUAQBPMENQ-GFCCVEGCSA-N 0 0 435.376 5.838 1 0 IKAFRN COc1ccc(/C=C/Sc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862932 563067005 /nfs/dbraw/zinc/06/70/05/563067005.db2.gz LLUCROQVLXRTKV-ZHACJKMWSA-N 0 0 433.360 5.748 1 0 IKAFRN COc1ccc(/C=C/Sc2nc([C@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862936 563067012 /nfs/dbraw/zinc/06/70/12/563067012.db2.gz QOCLMWVUQITJAT-XZHRJIJLSA-N 0 0 447.387 6.309 1 0 IKAFRN Cc1cccc(/C(=C/C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1 ZINC000028863825 563067110 /nfs/dbraw/zinc/06/71/10/563067110.db2.gz FFIIVCHBTRFDHI-HKOYGPOVSA-N 0 0 427.544 6.134 1 0 IKAFRN CCCCCn1cc(C(=O)NC23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c(=S)c2ccccc21 ZINC000028864525 563067128 /nfs/dbraw/zinc/06/71/28/563067128.db2.gz HQYCNJRSEGRXRZ-YFKJYVEOSA-N 0 0 436.665 7.040 1 0 IKAFRN CC(C)(C)c1ccc(/C(=C\C(=O)Nc2ccc3c(c2)OCCO3)c2cccc(N)c2)cc1 ZINC000028863838 563067143 /nfs/dbraw/zinc/06/71/43/563067143.db2.gz NUJQXTUEEYQKKZ-HAVVHWLPSA-N 0 0 428.532 5.408 1 0 IKAFRN CCCCCn1c(C)c(C(=O)N[C@@H](C)c2cccc3ccccc32)c(=O)c2ccccc21 ZINC000028864473 563067157 /nfs/dbraw/zinc/06/71/57/563067157.db2.gz AMNKMCZYVZYAJJ-IBGZPJMESA-N 0 0 426.560 6.144 1 0 IKAFRN COc1ccccc1/C(=C/C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 ZINC000028863842 563067159 /nfs/dbraw/zinc/06/71/59/563067159.db2.gz QYIVFRYVCPPKMT-PTGBLXJZSA-N 0 0 443.543 5.834 1 0 IKAFRN COC(=O)[C@H](CC(C)C)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878294 563067756 /nfs/dbraw/zinc/06/77/56/563067756.db2.gz JCRRSMOHWQNKES-CTQYZVOFSA-N 0 0 442.438 5.688 1 0 IKAFRN CC[C@H](C)[C@H](NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br)C(=O)OC ZINC000028878309 563067774 /nfs/dbraw/zinc/06/77/74/563067774.db2.gz NPSDJNUZYWLBAM-WBCRQPHXSA-N 0 0 442.438 5.688 1 0 IKAFRN Nc1nccn2c(-c3ccc4ccccc4c3)nc(-c3cccc(OCc4ccccc4)c3)c12 ZINC000028885682 563068019 /nfs/dbraw/zinc/06/80/19/563068019.db2.gz PPRXYJLQRQCZFV-UHFFFAOYSA-N 0 0 442.522 6.378 1 0 IKAFRN NC(=O)Cc1cn(Cc2ccccc2)c2ccc(-c3ccc(Oc4ccccc4)cc3)cc12 ZINC000028888426 563068219 /nfs/dbraw/zinc/06/82/19/563068219.db2.gz TWNADXIMNPZNON-UHFFFAOYSA-N 0 0 432.523 6.177 1 0 IKAFRN CCOc1cccc(-c2ccc3c(c2)c(CC(N)=O)cn3CCCOc2ccccc2)c1 ZINC000028888276 563068232 /nfs/dbraw/zinc/06/82/32/563068232.db2.gz LKJXFMOSBAGAGO-UHFFFAOYSA-N 0 0 428.532 5.204 1 0 IKAFRN CCOc1cccc(-c2ccc3c(c2)c(CC(N)=O)cn3Cc2ccc(C(C)(C)C)cc2)c1 ZINC000028888261 563068242 /nfs/dbraw/zinc/06/82/42/563068242.db2.gz SPIHHJKZCNCJAH-UHFFFAOYSA-N 0 0 440.587 6.081 1 0 IKAFRN Cc1ccc(-c2ncc(C(=O)N[C@H](C)CCc3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000028900251 563069014 /nfs/dbraw/zinc/06/90/14/563069014.db2.gz QEMSVWCTUIBXRM-JOCHJYFZSA-N 0 0 435.571 6.179 1 0 IKAFRN Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1CN(C)Cc1ccncc1 ZINC000028903832 563069180 /nfs/dbraw/zinc/06/91/80/563069180.db2.gz OLTBZOFEOKPOBN-UHFFFAOYSA-N 0 0 444.970 5.279 1 0 IKAFRN CCCN(CCC)C(=O)Oc1ccc(C(CC)(CC)c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000028950164 563069531 /nfs/dbraw/zinc/06/95/31/563069531.db2.gz PCCOXGZRVFCEIU-UHFFFAOYSA-N 0 0 438.612 6.396 1 0 IKAFRN CCN(CC)C(=O)Oc1ccc(C(CC)(CC)c2ccc(N(C)C(C)=O)c(C)c2)cc1C ZINC000028950141 563069536 /nfs/dbraw/zinc/06/95/36/563069536.db2.gz DAHUKXJRGGGGHG-UHFFFAOYSA-N 0 0 438.612 6.233 1 0 IKAFRN O=C(Nc1nc(-c2ccccc2C(F)(F)F)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952515 563069832 /nfs/dbraw/zinc/06/98/32/563069832.db2.gz PXLLIDCOBXEHIB-UHFFFAOYSA-N 0 0 441.438 5.615 1 0 IKAFRN CCCCc1cccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c1F ZINC000028952568 563069851 /nfs/dbraw/zinc/06/98/51/563069851.db2.gz MYDNBARNHZVGCB-UHFFFAOYSA-N 0 0 447.539 6.078 1 0 IKAFRN O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952531 563069870 /nfs/dbraw/zinc/06/98/70/563069870.db2.gz PRPJHWUXULYYAZ-UHFFFAOYSA-N 0 0 439.447 5.197 1 0 IKAFRN O=C(Nc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1)c1ccc(Nc2ccncn2)cc1 ZINC000028953197 563069915 /nfs/dbraw/zinc/06/99/15/563069915.db2.gz YNNMXZUSAXMIFN-UHFFFAOYSA-N 0 0 443.360 5.285 1 0 IKAFRN COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@H](OCC(C)C)c2ccccc2-3)cc1 ZINC000028955727 563070163 /nfs/dbraw/zinc/07/01/63/563070163.db2.gz PTLYWBXDLJZGQD-MUUNZHRXSA-N 0 0 439.555 6.109 1 0 IKAFRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1Nc1csc2ccccc12 ZINC000028957166 563070447 /nfs/dbraw/zinc/07/04/47/563070447.db2.gz DOTCCWQEUGMOIM-UHFFFAOYSA-N 0 0 437.524 7.085 1 0 IKAFRN COc1cc2c(cc1[C@@H]1CC(=O)c3c(O)c(C)c4c(c3O1)C=CC(C)(C)O4)C=CC(C)(C)O2 ZINC000028958120 563070513 /nfs/dbraw/zinc/07/05/13/563070513.db2.gz KGHCSILZCRZWKU-NRFANRHFSA-N 0 0 448.515 5.784 1 0 IKAFRN O=C(NC[C@@H](Cc1ccccc1)c1ccc(C(F)(F)F)cc1)Nc1cccc2cnccc21 ZINC000028958834 563070615 /nfs/dbraw/zinc/07/06/15/563070615.db2.gz JNOVEKDKIDETGJ-OAQYLSRUSA-N 0 0 449.476 6.402 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@H]1CCc2cc(F)ccc2[C@@H]1Cc1ccccc1 ZINC000028959181 563070618 /nfs/dbraw/zinc/07/06/18/563070618.db2.gz FXFUGZJVGIYTPJ-AHWVRZQESA-N 0 0 425.507 5.837 1 0 IKAFRN COc1ccc2c(c1)CC[C@H](NC(=O)Nc1cccc3cnccc31)[C@H]2Cc1ccccc1 ZINC000028959137 563070632 /nfs/dbraw/zinc/07/06/32/563070632.db2.gz HLMMYNCSAQLMGG-BDYUSTAISA-N 0 0 437.543 5.706 1 0 IKAFRN CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(N)n2)s1 ZINC000028961103 563070666 /nfs/dbraw/zinc/07/06/66/563070666.db2.gz OLXDORQSSIANTI-UHFFFAOYSA-N 0 0 445.426 5.105 1 0 IKAFRN COc1ccc2c(c1)CC[C@@H](NC(=O)Nc1cccc3cnccc31)[C@H]2Cc1cccnc1 ZINC000028959325 563070689 /nfs/dbraw/zinc/07/06/89/563070689.db2.gz LNMXHEJXRPUGBT-AZGAKELHSA-N 0 0 438.531 5.101 1 0 IKAFRN CC(C)(O)[C@H]1C[C@@H](O)[C@@]2(C)[C@@H]3CC[C@H]4Cc5c6ccccc6[nH]c5[C@]4(C)[C@@]3(C)CC[C@@H]2O1 ZINC000028965670 563070994 /nfs/dbraw/zinc/07/09/94/563070994.db2.gz SVYIMXYKHRBHSG-PUTGYHBGSA-N 0 0 437.624 5.104 1 0 IKAFRN Nc1ccccc1NC(=O)c1ccc(CNc2ncc(-c3ccc(Cl)cc3)s2)cc1 ZINC000029037209 563071582 /nfs/dbraw/zinc/07/15/82/563071582.db2.gz NHZZEZPNQDAABH-UHFFFAOYSA-N 0 0 434.952 5.910 1 0 IKAFRN Fc1ccc(-c2nn3ccc(N4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000029039840 563071918 /nfs/dbraw/zinc/07/19/18/563071918.db2.gz WZKICKQYLLXRNA-UHFFFAOYSA-N 0 0 442.542 5.552 1 0 IKAFRN Cc1ccccc1-c1c(=O)n(C[C@H]2COC(C)(C)O2)c2ccccc2c1-c1ccncc1 ZINC000029040282 563071955 /nfs/dbraw/zinc/07/19/55/563071955.db2.gz MMFIUEXBJPZEQL-FQEVSTJZSA-N 0 0 426.516 5.190 1 0 IKAFRN Cc1ccccc1-c1c(=O)n(C[C@@H]2COC(C)(C)O2)c2ccccc2c1-c1ccncc1 ZINC000029040280 563072010 /nfs/dbraw/zinc/07/20/10/563072010.db2.gz MMFIUEXBJPZEQL-HXUWFJFHSA-N 0 0 426.516 5.190 1 0 IKAFRN Cc1ccccc1-c1c(OC[C@H]2COC(C)(C)O2)nc2ccccc2c1-c1ccncc1 ZINC000029040267 563072018 /nfs/dbraw/zinc/07/20/18/563072018.db2.gz MGSDFQPGIGFLCV-FQEVSTJZSA-N 0 0 426.516 5.803 1 0 IKAFRN Cc1cc(C(=O)Nc2ccccn2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029043026 563072306 /nfs/dbraw/zinc/07/23/06/563072306.db2.gz VOBSDNYNUATIJQ-UHFFFAOYSA-N 0 0 432.911 5.120 1 0 IKAFRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)c1cncc(COc3c(Cl)cccc3Cl)c1)C2 ZINC000029049349 563072810 /nfs/dbraw/zinc/07/28/10/563072810.db2.gz VVZIEUVRIXWLDW-SBUREZEXSA-N 0 0 433.379 6.008 1 0 IKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4ccc(Cl)c(C)c4C)cc3)oc2c(C)c1 ZINC000029050476 563072982 /nfs/dbraw/zinc/07/29/82/563072982.db2.gz BCQAVIFJYUUBBI-UHFFFAOYSA-N 0 0 434.923 6.399 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N1CCc2ccc(F)cc2C1 ZINC000029054207 563073269 /nfs/dbraw/zinc/07/32/69/563073269.db2.gz BITMMNNWKLCYEN-SANMLTNESA-N 0 0 444.594 6.457 1 0 IKAFRN O[C@H](CCN1CC[N@@H+]2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000029056421 563073370 /nfs/dbraw/zinc/07/33/70/563073370.db2.gz GAKAYJNKCDLKCE-HZFUHODCSA-N 0 0 444.594 5.230 1 0 in-vivo IKAFRN CCc1cccc(CC)c1-c1ccc2c(n1)CCC[C@H]2N(CC)c1cccc2ccccc21 ZINC000029055094 563073381 /nfs/dbraw/zinc/07/33/81/563073381.db2.gz ZJRCBWQRQHNPQZ-SSEXGKCCSA-N 0 0 434.627 7.931 1 0 IKAFRN CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@@]1(CC2)[C@H]2CC[C@H](C2)C1(C)C ZINC000029063709 563073738 /nfs/dbraw/zinc/07/37/38/563073738.db2.gz QTNQHDPCTDYNED-HGRMPGJJSA-N 0 0 442.596 6.075 1 0 IKAFRN CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@]1(CC2)CC[C@@H]2C[C@H]1C2(C)C ZINC000029063845 563073790 /nfs/dbraw/zinc/07/37/90/563073790.db2.gz VWAJWZADDWGIBB-VVUMAWNLSA-N 0 0 442.596 6.075 1 0 IKAFRN CN(C(=O)Cc1cs/c(=N\c2ccc(Oc3ccccc3)cc2)n1C)c1ccccc1 ZINC000029124702 563074196 /nfs/dbraw/zinc/07/41/96/563074196.db2.gz UJLFWXBIOYXCIA-QPLCGJKRSA-N 0 0 429.545 5.317 1 0 IKAFRN CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(C)cc3Br)n2C)cc1 ZINC000029124758 563074200 /nfs/dbraw/zinc/07/42/00/563074200.db2.gz DASQGKZWVUCRSB-FLFQWRMESA-N 0 0 444.398 5.134 1 0 IKAFRN Cc1ccc(/N=c2\scc(CC(=O)Nc3ccc(OC(F)(F)F)cc3)n2C)c(C)c1 ZINC000029125302 563074248 /nfs/dbraw/zinc/07/42/48/563074248.db2.gz OYXXUIUTNWMHCR-QOMWVZHYSA-N 0 0 435.471 5.016 1 0 IKAFRN COc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125709 563074463 /nfs/dbraw/zinc/07/44/63/563074463.db2.gz RWYPMMZVWYPUHM-UHFFFAOYSA-N 0 0 430.718 6.627 1 0 IKAFRN C[C@H](Nc1cc(Nc2nccc(-c3ccc(CC(=O)[O-])cc3)n2)cc[nH+]1)c1ccccc1 ZINC000029126559 563074637 /nfs/dbraw/zinc/07/46/37/563074637.db2.gz CIAQJJGORODQOS-KRWDZBQOSA-N 0 0 425.492 5.082 1 0 IKAFRN Cc1nsc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1Cl ZINC000029126740 563074774 /nfs/dbraw/zinc/07/47/74/563074774.db2.gz IGEISIZENPIACK-UHFFFAOYSA-N 0 0 444.343 5.583 1 0 IKAFRN CC(=O)c1nc2cc(-c3ccccc3)ccc2n1CC(=O)c1ccc(Br)cc1 ZINC000029127752 563075013 /nfs/dbraw/zinc/07/50/13/563075013.db2.gz WUZCKFGYMXQCFE-UHFFFAOYSA-N 0 0 433.305 5.551 1 0 IKAFRN CCC(O)(CC)CCS[C@H](C)C1=CC[C@@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128792 563075200 /nfs/dbraw/zinc/07/52/00/563075200.db2.gz JBIJFMQWUGBEEN-QKAMIYOHSA-N 0 0 448.713 5.944 1 0 IKAFRN CCC(O)(CC)CS[C@H](C)C1=CC[C@@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128842 563075224 /nfs/dbraw/zinc/07/52/24/563075224.db2.gz QUDKCXJSFPLCSM-OFOCKJCVSA-N 0 0 434.686 5.554 1 0 IKAFRN O=C(c1ccccc1)N1N=C(c2ccc(-c3ccccc3)cc2)C[C@H]1c1ccccc1Cl ZINC000029128857 563075245 /nfs/dbraw/zinc/07/52/45/563075245.db2.gz QKRWKKPKPKWXBV-MHZLTWQESA-N 0 0 436.942 6.999 1 0 IKAFRN Nc1[nH]nc2cncc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12 ZINC000029130064 563075480 /nfs/dbraw/zinc/07/54/80/563075480.db2.gz MNZGLNJCEGVMQR-UHFFFAOYSA-N 0 0 430.365 5.009 1 0 IKAFRN O=C(CCc1ccccc1)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000029131730 563075708 /nfs/dbraw/zinc/07/57/08/563075708.db2.gz YPXLCXVERGDWHW-UHFFFAOYSA-N 0 0 436.511 6.303 1 0 IKAFRN Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2c2cccc(Cl)c2)cc1 ZINC000029132243 563075741 /nfs/dbraw/zinc/07/57/41/563075741.db2.gz FJTLSLROWYUKAH-UHFFFAOYSA-N 0 0 431.794 6.663 1 0 IKAFRN Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)Oc1ccc(Cl)cc1 ZINC000029132117 563075747 /nfs/dbraw/zinc/07/57/47/563075747.db2.gz ZKEXZNHAMVKSPS-UHFFFAOYSA-N 0 0 441.236 6.678 1 0 IKAFRN CC(C)Sc1cc(-c2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)ccc1C(=O)[O-] ZINC000029132796 563075794 /nfs/dbraw/zinc/07/57/94/563075794.db2.gz FYONCJXSNAVJFY-DEOSSOPVSA-N 0 0 435.589 5.418 1 0 IKAFRN CCCC[C@@H]1C=Cc2c(c3c(CCC(F)(F)F)cc(=O)oc3c3c2O[C@@H](C)CC3=O)O1 ZINC000029133489 563075922 /nfs/dbraw/zinc/07/59/22/563075922.db2.gz IABROMSHKZJLPK-GXTWGEPZSA-N 0 0 436.426 5.606 1 0 IKAFRN O=C1N[C@H](Cc2ccccc2)C(=O)N(Cc2ccc3ccccc3c2)c2cc(Cl)ccc21 ZINC000029133323 563075961 /nfs/dbraw/zinc/07/59/61/563075961.db2.gz BZDRLTZGNVDUFJ-XMMPIXPASA-N 0 0 440.930 5.381 1 0 IKAFRN CCCC[C@H]1C=Cc2c3c(c4oc(=O)cc(CCC(F)(F)F)c4c2O1)C(=O)C[C@@H](C)O3 ZINC000029133491 563075967 /nfs/dbraw/zinc/07/59/67/563075967.db2.gz IABROMSHKZJLPK-OCCSQVGLSA-N 0 0 436.426 5.606 1 0 IKAFRN COc1cc2nccc(Oc3ccc4c(cccc4C(=O)NC4(C)CC4)c3)c2cc1OC ZINC000029133919 563075970 /nfs/dbraw/zinc/07/59/70/563075970.db2.gz IZZAJZCFAZXNDC-UHFFFAOYSA-N 0 0 428.488 5.480 1 0 IKAFRN COc1cc2nccc(Oc3ccc4c(cccc4C(=O)NC(C)(C)C)c3)c2cc1OC ZINC000029133963 563076002 /nfs/dbraw/zinc/07/60/02/563076002.db2.gz BVNOQDUIZJMQNL-UHFFFAOYSA-N 0 0 430.504 5.726 1 0 IKAFRN O=C1C[C@H](c2ccccc2)c2c(cc(Br)c3cc(Br)ccc32)O1 ZINC000029135857 563076207 /nfs/dbraw/zinc/07/62/07/563076207.db2.gz DJRAPNOGXVVEMF-CQSZACIVSA-N 0 0 432.111 5.806 1 0 IKAFRN O=C1C[C@@H](c2ccccc2)c2c(cc(Br)c3cc(Br)ccc32)O1 ZINC000029135859 563076230 /nfs/dbraw/zinc/07/62/30/563076230.db2.gz DJRAPNOGXVVEMF-AWEZNQCLSA-N 0 0 432.111 5.806 1 0 IKAFRN CCCC(=O)c1c(=O)n([C@H](C)CO)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000029208841 563076539 /nfs/dbraw/zinc/07/65/39/563076539.db2.gz GNRYMFISVLBYIL-CQSZACIVSA-N 0 0 445.346 5.420 1 0 IKAFRN CC(=O)c1ccc(-c2c(C)c(C(=O)Nc3ccccc3)nn2-c2ccccc2Cl)cc1 ZINC000029237564 563076993 /nfs/dbraw/zinc/07/69/93/563076993.db2.gz YXTSMJWOQMGGSJ-UHFFFAOYSA-N 0 0 429.907 5.956 1 0 IKAFRN CC(Cl)(Cl)c1nc2c(cccc2C(F)(F)F)c(O)c1C(=O)Nc1nccs1 ZINC000029242005 563077125 /nfs/dbraw/zinc/07/71/25/563077125.db2.gz HXSCTUSCWIVXEH-UHFFFAOYSA-N 0 0 436.242 5.318 1 0 IKAFRN CCCN1N=C2/C(=C/c3ccc(Cl)cc3)CS(=O)(=O)C[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000029306220 563077395 /nfs/dbraw/zinc/07/73/95/563077395.db2.gz PBVUABNYOBNMIK-MRLNFSDASA-N 0 0 449.403 5.244 1 0 IKAFRN COc1ccc([C@@H]2CC[C@@H](OCc3ccc(-n4c(C)nc5ccccc54)cc3)O2)cc1OC ZINC000029311225 563077480 /nfs/dbraw/zinc/07/74/80/563077480.db2.gz HJQFXLTXKOEJDR-IGKIAQTJSA-N 0 0 444.531 5.746 1 0 IKAFRN O=C1N(CCCCCCCOc2ccc(Br)cc2)CCN1c1ccncc1 ZINC000029393143 563079121 /nfs/dbraw/zinc/07/91/21/563079121.db2.gz BLYSYVJULRJIAR-UHFFFAOYSA-N 0 0 432.362 5.116 1 0 IKAFRN CCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)c1cccc2ncccc21 ZINC000029396913 563079131 /nfs/dbraw/zinc/07/91/31/563079131.db2.gz HJRUQNOVINGTHL-UHFFFAOYSA-N 0 0 428.388 7.522 1 0 investigational IKAFRN O=c1c(Br)c(OCc2ccc(F)cc2)cnn1-c1c(Cl)cccc1Cl ZINC000033971200 563085151 /nfs/dbraw/zinc/08/51/51/563085151.db2.gz RIILTAOWWUWTQT-UHFFFAOYSA-N 0 0 444.087 5.020 1 0 IKAFRN C[C@@H](CCOc1cc(Cl)cc(Cl)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1)CC(C)(C)C ZINC000029404770 563079403 /nfs/dbraw/zinc/07/94/03/563079403.db2.gz JRHOEVICMIEMKV-SKGKMZFKSA-N 0 0 429.384 5.914 1 0 IKAFRN COc1ccc([C@H]2CCc3ccccc3[C@H]2NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000029409148 563079697 /nfs/dbraw/zinc/07/96/97/563079697.db2.gz OZXVQQLRFVQEFN-PQHLKRTFSA-N 0 0 447.578 6.415 1 0 IKAFRN COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2NC(=O)C(c1ccccc1)c1ccccc1 ZINC000029408394 563079723 /nfs/dbraw/zinc/07/97/23/563079723.db2.gz KPUXXSOUMFKFFY-OFSOJUDTSA-N 0 0 447.578 6.415 1 0 IKAFRN CCCCCCn1c2cc(-c3ccccc3)nn2c(=O)c2c1C(=O)N(C1CCCCC1)C2 ZINC000029409037 563079729 /nfs/dbraw/zinc/07/97/29/563079729.db2.gz IRQDIVUWYVWYPL-UHFFFAOYSA-N 0 0 432.568 5.032 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2c3ccc(cc3CO)C[C@@H](O)CC[C@H](C)CCC[C@@]21C ZINC000029409441 563079731 /nfs/dbraw/zinc/07/97/31/563079731.db2.gz XNBOHAUDJPAPCB-WHOTYELYSA-N 0 0 442.728 7.645 1 0 IKAFRN COc1cccc2c1CC[C@H](c1ccccc1)[C@H]2NC(=O)C(c1ccccc1)c1ccccc1 ZINC000029408882 563079755 /nfs/dbraw/zinc/07/97/55/563079755.db2.gz JXTPQAIBAATZAO-FYBSXPHGSA-N 0 0 447.578 6.415 1 0 IKAFRN COc1cc(OC)c(N2C(=O)[C@@H](CCCc3ccccc3)[C@H]2c2ccccc2)c(OC)c1 ZINC000029412358 563079879 /nfs/dbraw/zinc/07/98/79/563079879.db2.gz GRMQSCSZDNERIC-WIOPSUGQSA-N 0 0 431.532 5.439 1 0 IKAFRN O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2cccc3ccccc32)O1 ZINC000029412150 563079920 /nfs/dbraw/zinc/07/99/20/563079920.db2.gz STTWYTZBAZKFCT-TYFAACHXSA-N 0 0 443.326 5.805 1 0 IKAFRN COc1ccccc1[C@H]1CCc2ccccc2[C@H]1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000029461876 563080106 /nfs/dbraw/zinc/08/01/06/563080106.db2.gz DUZBQCNUGYMLOT-POURPWNDSA-N 0 0 447.578 6.415 1 0 IKAFRN O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2-c2cc(Cl)cc(Cl)c2)O1 ZINC000029484417 563081345 /nfs/dbraw/zinc/08/13/45/563081345.db2.gz RHYLLCHYGSNOCD-RIVGAVQESA-N 0 0 432.130 6.047 1 0 IKAFRN COc1ccc(/C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)C2CCCCC2)cc1 ZINC000029486319 563081389 /nfs/dbraw/zinc/08/13/89/563081389.db2.gz ZDHBRXKWSOVSKM-HUVLGCKISA-N 0 0 432.608 6.138 1 0 IKAFRN CCc1cc(C(=O)N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(OC)c(OC)c1 ZINC000029487014 563081402 /nfs/dbraw/zinc/08/14/02/563081402.db2.gz FYKDRVAHCYTSBC-LJQANCHMSA-N 0 0 432.564 5.469 1 0 IKAFRN CC(=O)Oc1c2cc(C(=O)c3ccccc3)ccn2c(-c2ccccc2)c1-c1ccccc1 ZINC000029487229 563081420 /nfs/dbraw/zinc/08/14/20/563081420.db2.gz QYJOCZAVTRAJNT-UHFFFAOYSA-N 0 0 431.491 6.430 1 0 IKAFRN C[C@@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000029488926 563081487 /nfs/dbraw/zinc/08/14/87/563081487.db2.gz AYVHAGIUGRHDQX-UTJZZEGQSA-N 0 0 432.514 5.875 1 0 IKAFRN CCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 ZINC000029551906 563082000 /nfs/dbraw/zinc/08/20/00/563082000.db2.gz UEIDNYKZAFHMHU-UHFFFAOYSA-N 0 0 441.622 5.761 1 0 IKAFRN Cc1cc2c(cc1Br)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 ZINC000029552601 563082042 /nfs/dbraw/zinc/08/20/42/563082042.db2.gz UWHXINJQGWKEJO-UHFFFAOYSA-N 0 0 439.313 5.243 1 0 IKAFRN Cc1cc(-c2cc(-c3ccccc3)cc(N3CCC(Cc4ccccc4)CC3)n2)ccc1O ZINC000029568591 563082801 /nfs/dbraw/zinc/08/28/01/563082801.db2.gz HDMUCANUXXXLNX-UHFFFAOYSA-N 0 0 434.583 6.889 1 0 IKAFRN CC(C)=CCC[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000031830060 563083536 /nfs/dbraw/zinc/08/35/36/563083536.db2.gz CCFQLQIYEHITNK-MLDDLKNSSA-N 0 0 440.712 7.226 1 0 IKAFRN CCP1(=O)N(CC(C)(C)C)[C@H](c2ccccc2)C[C@@H](c2ccccc2)N1CC(C)(C)C ZINC000031900300 563083749 /nfs/dbraw/zinc/08/37/49/563083749.db2.gz KVOAHHNFPJZJCS-DQEYMECFSA-N 0 0 440.612 7.782 1 0 IKAFRN C[C@H]1[C@H](C)N(Cc2ccccc2)P(=O)([C@@H](O)/C=C/c2ccccc2)N1Cc1ccccc1 ZINC000031905520 563083779 /nfs/dbraw/zinc/08/37/79/563083779.db2.gz WHGWSLXYUJVQOT-BASZDRPDSA-N 0 0 446.531 6.006 1 0 IKAFRN CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(=O)OC)cc1 ZINC000033363674 563084429 /nfs/dbraw/zinc/08/44/29/563084429.db2.gz KCRKNXMAIHXDOP-NRSPTQNISA-N 0 0 433.470 5.789 1 0 IKAFRN CC(=O)O[C@@H]1OC(=O)C2=CC[C@H]3[C@]4(C)CC[C@H]5C(C)(C)CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 ZINC000033505257 563084497 /nfs/dbraw/zinc/08/44/97/563084497.db2.gz FWKSHXYKUMEBJI-YCHJHXPOSA-N 0 0 428.613 6.044 1 0 IKAFRN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4Nc5c(cnn5-c5ccccc5)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000033849428 563084867 /nfs/dbraw/zinc/08/48/67/563084867.db2.gz PYIBTPZZBALTBR-VIRWKOFISA-N 0 0 433.596 5.383 1 0 IKAFRN S=C1N=NC(COc2ccc(-c3ccccc3)cc2)N1c1ccc(Br)cc1 ZINC000033857952 563084991 /nfs/dbraw/zinc/08/49/91/563084991.db2.gz GTHZTFKGLNSVEV-UHFFFAOYSA-N 0 0 438.350 5.565 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OCCO)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000033965082 563085077 /nfs/dbraw/zinc/08/50/77/563085077.db2.gz NPYXBHZQVNRAOF-JZOYWNKNSA-N 0 0 430.717 7.405 1 0 IKAFRN COc1ccc2c(c1OC)-c1cc(ccc1O)/C=C\C(=O)O[C@@H]1C[C@@H]2[C@H]2CCCC[C@H]2C1 ZINC000034073347 563085450 /nfs/dbraw/zinc/08/54/50/563085450.db2.gz FICKEVYMKDEOLD-RZKPYUORSA-N 0 0 434.532 5.699 1 0 IKAFRN CC(C)=C[C@@H](O)[C@@H](O)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000034422397 563086295 /nfs/dbraw/zinc/08/62/95/563086295.db2.gz YIWOAJFKIIOXPS-RYZLOPLISA-N 0 0 428.613 5.925 1 0 IKAFRN O=C1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CCN1CC(F)(F)F ZINC000034539637 563086405 /nfs/dbraw/zinc/08/64/05/563086405.db2.gz HMPRRLJUDRDHCR-UHFFFAOYSA-N 0 0 440.252 5.407 1 0 IKAFRN CC1(C)CC[C@]2(C)C[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000034602218 563086499 /nfs/dbraw/zinc/08/64/99/563086499.db2.gz XVKHGUQJCRRKSC-WXIGGWTCSA-N 0 0 442.728 7.140 1 0 in-vivo IKAFRN Cc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)CCc2ccccc2)cc1 ZINC000034642462 563086668 /nfs/dbraw/zinc/08/66/68/563086668.db2.gz VQGQJBNCAQWQGJ-MHZLTWQESA-N 0 0 428.963 6.237 1 0 IKAFRN C[C@H](Nc1nccc(N(C(=O)Nc2ccccc2Cl)c2ccc(F)cc2)n1)C(C)(C)O ZINC000034642815 563086769 /nfs/dbraw/zinc/08/67/69/563086769.db2.gz IMVYTDSIYAAPON-AWEZNQCLSA-N 0 0 443.910 5.211 1 0 IKAFRN CCCCCCCCCCCC[C@H]1C[C@@]2(C)[C@H](CC[C@@H]2O)[C@@H]2CCC3=CC(=O)CCC3=C12 ZINC000034799893 563087137 /nfs/dbraw/zinc/08/71/37/563087137.db2.gz AHBGXQDJONQGOL-MYEJIDBFSA-N 0 0 440.712 8.090 1 0 IKAFRN CCCCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@H]2CCC3=CC(=O)CCC3=C21 ZINC000034799890 563087216 /nfs/dbraw/zinc/08/72/16/563087216.db2.gz AHBGXQDJONQGOL-LWCQALDFSA-N 0 0 440.712 8.090 1 0 IKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC(F)(F)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12 ZINC000034802912 563087788 /nfs/dbraw/zinc/08/77/88/563087788.db2.gz PXHHHMFTVFMECG-RRVPNGAVSA-N 0 0 441.493 6.150 1 0 IKAFRN Cc1cc(C)n(Cc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000034851314 563088226 /nfs/dbraw/zinc/08/82/26/563088226.db2.gz HMHYOXVYXVHCTN-UHFFFAOYSA-N 0 0 443.878 5.021 1 0 IKAFRN O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CC4)ccc3[nH]2)cc1)c1ccccc1Cl ZINC000034892353 563088449 /nfs/dbraw/zinc/08/84/49/563088449.db2.gz URTBMZWXWYUQAM-UHFFFAOYSA-N 0 0 430.895 5.484 1 0 IKAFRN Nc1ncc(-c2cccnc2)c2scc(-c3cccc(NC(=O)Cc4ccccc4)c3)c21 ZINC000034985655 563088710 /nfs/dbraw/zinc/08/87/10/563088710.db2.gz GUGOWVXOJCARSB-UHFFFAOYSA-N 0 0 436.540 5.789 1 0 IKAFRN Cc1nnc(SCC(=O)Nc2ccc(C)cc2Cl)n1-c1c(C)ccc2ccccc21 ZINC000035002875 563088794 /nfs/dbraw/zinc/08/87/94/563088794.db2.gz LGHJXXRQDUSLPJ-UHFFFAOYSA-N 0 0 436.968 5.730 1 0 IKAFRN CNc1ncc2cc(-c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)ccc2n1 ZINC000035049797 563088984 /nfs/dbraw/zinc/08/89/84/563088984.db2.gz UTVABCSMEKUFLJ-UHFFFAOYSA-N 0 0 436.437 5.918 1 0 IKAFRN Nc1ncc2cc(-c3ccc(F)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)ccc2n1 ZINC000035049811 563089037 /nfs/dbraw/zinc/08/90/37/563089037.db2.gz UGZLMJATMYOPLB-UHFFFAOYSA-N 0 0 426.373 5.289 1 0 IKAFRN O=C1CS[C@H](c2ccc(Cl)cc2)N1CCCNc1ccnc2cc(Cl)ccc21 ZINC000035091122 563089436 /nfs/dbraw/zinc/08/94/36/563089436.db2.gz XDOLUWLSRBJHGQ-OAQYLSRUSA-N 0 0 432.376 5.618 1 0 IKAFRN CN(CCCNc1ccnc2cc(Cl)ccc21)C(=O)c1ccc(Br)cc1 ZINC000035190746 563089583 /nfs/dbraw/zinc/08/95/83/563089583.db2.gz UGTIQAWECWYRNV-UHFFFAOYSA-N 0 0 432.749 5.225 1 0 IKAFRN COP(=O)(OC)[C@@H](OC(=O)COc1c(Cl)cccc1Cl)c1cccs1 ZINC000035259313 563089602 /nfs/dbraw/zinc/08/96/02/563089602.db2.gz AUOCXNIQRPGYBY-OAHLLOKOSA-N 0 0 425.226 5.162 1 0 IKAFRN O=C(CCCCCCc1ccccc1)c1ncc(-c2cccc(C(=O)C(F)(F)F)c2)o1 ZINC000035259952 563089689 /nfs/dbraw/zinc/08/96/89/563089689.db2.gz SNZSJZIWVONPEX-UHFFFAOYSA-N 0 0 429.438 6.463 1 0 IKAFRN CC[C@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)CC[C@H]1C ZINC000035801374 563089905 /nfs/dbraw/zinc/08/99/05/563089905.db2.gz YDGOHTBOOYAVOP-JYCRKZTRSA-N 0 0 439.596 6.328 1 0 IKAFRN Cc1nc2c(c(Nc3ccc(C(C)(C)C)cc3)n1)CCN(c1ncccc1C(F)(F)F)C2 ZINC000035801424 563089975 /nfs/dbraw/zinc/08/99/75/563089975.db2.gz URGNTDHUTIMFEL-UHFFFAOYSA-N 0 0 441.501 5.803 1 0 IKAFRN O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCCC2 ZINC000035920709 563090409 /nfs/dbraw/zinc/09/04/09/563090409.db2.gz QWXXKKDLCMLNJS-UHFFFAOYSA-N 0 0 444.406 5.757 1 0 IKAFRN C[C@H]1CCN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000035952092 563090548 /nfs/dbraw/zinc/09/05/48/563090548.db2.gz LOFVUPFIGBAWCL-INIZCTEOSA-N 0 0 441.453 6.875 1 0 IKAFRN Clc1ccc2c(c1)N=C(N1CCN(Cc3cccc4c3OCO4)CC1)c1ccccc1N2 ZINC000036089465 563091000 /nfs/dbraw/zinc/09/10/00/563091000.db2.gz NFKQELYFWQDRFN-UHFFFAOYSA-N 0 0 446.938 5.022 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2sc(-c3ccc(Cl)cc3)nc2-c2ccc(F)cc2)cc1 ZINC000036126936 563091206 /nfs/dbraw/zinc/09/12/06/563091206.db2.gz JNVALRCBOIOUGL-UHFFFAOYSA-N 0 0 443.952 6.340 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2cccs2)cc1 ZINC000036126944 563091231 /nfs/dbraw/zinc/09/12/31/563091231.db2.gz NDPZCTZWDTWVHJ-UHFFFAOYSA-N 0 0 431.991 6.263 1 0 IKAFRN CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000036176574 563091616 /nfs/dbraw/zinc/09/16/16/563091616.db2.gz NEVXDARLCGKQEF-ZPMCFJSWSA-N 0 0 431.479 5.482 1 0 IKAFRN O=c1c(-c2ccc(C(F)(F)F)cc2)cccn1[C@@H](CN1C=CC=CC=N1)c1ccccc1 ZINC000036190475 563092019 /nfs/dbraw/zinc/09/20/19/563092019.db2.gz YITOFYWWKAQJCU-QHCPKHFHSA-N 0 0 435.449 5.495 1 0 IKAFRN CC(C)(c1cc2cccnc2c(-c2cccc(C(=O)Nc3ccccc3)c2)c1)S(C)(=O)=O ZINC000036268831 563092362 /nfs/dbraw/zinc/09/23/62/563092362.db2.gz APHANYYADPNRCL-UHFFFAOYSA-N 0 0 444.556 5.434 1 0 IKAFRN C[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN1c1ncccc1C(F)(F)F ZINC000036322347 563092730 /nfs/dbraw/zinc/09/27/30/563092730.db2.gz QJNOWROIDIKPST-OLZOCXBDSA-N 0 0 446.395 5.250 1 0 IKAFRN COc1cc(Nc2ncc3ccn(-c4cccc(C(F)(F)F)c4)c3n2)cc(OC)c1OC ZINC000036348807 563093067 /nfs/dbraw/zinc/09/30/67/563093067.db2.gz SUVIYZNQXJLYBE-UHFFFAOYSA-N 0 0 444.413 5.209 1 0 IKAFRN COc1cc(Nc2ncc3ccn(-c4ccc(C(C)(C)C)cc4)c3n2)cc(OC)c1OC ZINC000036348811 563093096 /nfs/dbraw/zinc/09/30/96/563093096.db2.gz YZIDMIKFPLQQEV-UHFFFAOYSA-N 0 0 432.524 5.487 1 0 IKAFRN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036350293 563093304 /nfs/dbraw/zinc/09/33/04/563093304.db2.gz JPCDJRWYILWBRO-UUTLWKSGSA-N 0 0 429.608 5.591 1 0 IKAFRN Cc1nc2c3cc(Br)ccc3oc2c(SCc2nc3ccccc3[nH]2)n1 ZINC000036380915 563093764 /nfs/dbraw/zinc/09/37/64/563093764.db2.gz IVKVYHUDOWPARK-UHFFFAOYSA-N 0 0 425.311 5.616 3 0 IKAFRN CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000036381379 563093767 /nfs/dbraw/zinc/09/37/67/563093767.db2.gz CQEINEWQDQXRSF-UHFFFAOYSA-N 0 0 429.567 5.276 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]2CCN(Cc3ccccc3)C(=O)[C@H]12 ZINC000036383098 563094217 /nfs/dbraw/zinc/09/42/17/563094217.db2.gz JKBGYKXSQIYRFW-BLIXFSHQSA-N 0 0 429.347 5.173 1 0 IKAFRN COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000036384324 563094287 /nfs/dbraw/zinc/09/42/87/563094287.db2.gz WFACMOZWZBQJSO-LADGPHEKSA-N 0 0 444.506 5.052 3 0 IKAFRN COc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000036388369 563094758 /nfs/dbraw/zinc/09/47/58/563094758.db2.gz MJZNTIVTTZIIPF-SFNBAAJBSA-N 0 0 441.546 6.413 1 0 IKAFRN COc1ccc(/C=C/c2ccccc2)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036388173 563094811 /nfs/dbraw/zinc/09/48/11/563094811.db2.gz MDQJZJCSIDCKTP-MABMCKARSA-N 0 0 449.594 6.778 1 0 IKAFRN COc1cc(OC)cc(-c2c(-c3ccsc3)c3cc(Br)ccc3n2C)c1 ZINC000036388842 563094877 /nfs/dbraw/zinc/09/48/77/563094877.db2.gz LUQNEEOXUAVAMD-UHFFFAOYSA-N 0 0 428.351 6.354 3 0 IKAFRN OCc1ccc2c(c1)c(-c1ccc3c(c1)OCCO3)c(-c1ccccc1)n2-c1ccccc1 ZINC000036388882 563094966 /nfs/dbraw/zinc/09/49/66/563094966.db2.gz WGJZVPWLMYEXKO-UHFFFAOYSA-N 0 0 433.507 6.228 3 0 IKAFRN CC(C)=CC[C@H](OC(C)=O)/C(C)=C/[C@@H](O)C/C(C)=C/COc1ccc2ccc(=O)oc2c1 ZINC000036403199 563095127 /nfs/dbraw/zinc/09/51/27/563095127.db2.gz GPZNNGDJDDVSLA-ZJJVXLKLSA-N 0 0 440.536 5.103 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cc(C)nc(C)c2[nH]1)C(F)(F)F ZINC000036426050 563095208 /nfs/dbraw/zinc/09/52/08/563095208.db2.gz CXXWEXDTTVWKSJ-JOCHJYFZSA-N 0 0 438.465 5.531 1 0 IKAFRN Clc1ccc(COC[C@@H](Cn2cncn2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000036444734 563095326 /nfs/dbraw/zinc/09/53/26/563095326.db2.gz JSRPZTUCLKXPJV-CYBMUJFWSA-N 0 0 431.150 5.892 1 0 IKAFRN Cc1oc(C(C)(C)C)cc1C(=O)C(=O)Nc1ccc(Nc2ccncn2)c2ccccc12 ZINC000036479131 563095506 /nfs/dbraw/zinc/09/55/06/563095506.db2.gz VKJVSJAHYBYNEL-UHFFFAOYSA-N 0 0 428.492 5.394 1 0 IKAFRN CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc(OCC(=O)OC)c(C)c1 ZINC000036757866 563095736 /nfs/dbraw/zinc/09/57/36/563095736.db2.gz MTIFUIXRGBEXCE-UHFFFAOYSA-N 0 0 440.458 5.366 1 0 IKAFRN COc1ccc([C@@H]2C=CC[C@H](OCc3ccccc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000038140553 563095971 /nfs/dbraw/zinc/09/59/71/563095971.db2.gz KPIIYCCTXPDMPE-SVBPBHIXSA-N 0 0 445.534 5.840 3 0 IKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccccn4)c(=N)c32)c1 ZINC000038142927 563096145 /nfs/dbraw/zinc/09/61/45/563096145.db2.gz SDCNTJIRRUHQPY-QHCPKHFHSA-N 0 0 432.483 5.194 1 0 IKAFRN O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCC4)ccc3[nH]2)cc1)c1ccccc1Cl ZINC000038147883 563096436 /nfs/dbraw/zinc/09/64/36/563096436.db2.gz UGUHVOJNAPXDDU-UHFFFAOYSA-N 0 0 444.922 5.874 1 0 IKAFRN COc1cc(-c2ncccc2C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000038149585 563096461 /nfs/dbraw/zinc/09/64/61/563096461.db2.gz MNKVJLVFFVQPNU-UHFFFAOYSA-N 0 0 440.343 6.047 1 0 IKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncccc2C(F)(F)F)cc1Cl ZINC000038149586 563096536 /nfs/dbraw/zinc/09/65/36/563096536.db2.gz PUUDGTZGLNQIEC-UHFFFAOYSA-N 0 0 444.762 6.692 1 0 IKAFRN CCS(=O)(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000038149570 563096544 /nfs/dbraw/zinc/09/65/44/563096544.db2.gz GOYULMQJOFIGPY-UHFFFAOYSA-N 0 0 437.565 5.060 1 0 IKAFRN CCC[C@@H]1C[C@@]1(CCC)[C@H](NC(=O)OCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000038179206 563096846 /nfs/dbraw/zinc/09/68/46/563096846.db2.gz DSCPSYDRRKGPJO-MUPNOLHXSA-N 0 0 441.615 7.928 1 0 IKAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CCCCc2ccccc21 ZINC000038210532 563096963 /nfs/dbraw/zinc/09/69/63/563096963.db2.gz QFFJSBMLUIUWDZ-UHFFFAOYSA-N 0 0 441.453 6.704 1 0 IKAFRN Cc1cc(C)cc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccc(C(N)=O)cc3)cc2)c1 ZINC000038428753 563097794 /nfs/dbraw/zinc/09/77/94/563097794.db2.gz IFECHLQKAMNCEH-UHFFFAOYSA-N 0 0 435.449 5.941 1 0 IKAFRN CCCCCCC1=CC(=C(Br)Br)N(Cc2ccccc2)C1=O ZINC000038654157 563098064 /nfs/dbraw/zinc/09/80/64/563098064.db2.gz RSCPOTVHGZWTGQ-UHFFFAOYSA-N 0 0 427.180 5.885 1 0 IKAFRN CCC(CC)(NC(=O)c1c(C)nn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(C)cc1 ZINC000038800895 563098329 /nfs/dbraw/zinc/09/83/29/563098329.db2.gz QDXRZFVLYYUMGO-HSZRJFAPSA-N 0 0 444.623 6.237 1 0 IKAFRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000038991755 563098634 /nfs/dbraw/zinc/09/86/34/563098634.db2.gz SXJVFYZNUGGHRG-PZHNMUJHSA-N 0 0 430.717 6.996 1 0 endogenous,in-man IKAFRN COc1cccc2c(-c3ccc4c(c3OC(C)=O)[C@@H](C)N(C=O)[C@H](C)C4)c(C)cc(OC)c12 ZINC000038992206 563098642 /nfs/dbraw/zinc/09/86/42/563098642.db2.gz SDBNRNUQCFGCGR-IAGOWNOFSA-N 0 0 447.531 5.222 1 0 IKAFRN COc1cccc2c(-c3ccc4c(c3OC(C)C)[C@@H](C)N(C=O)[C@H](C)C4)c(C)cc(OC)c12 ZINC000039182454 563098766 /nfs/dbraw/zinc/09/87/66/563098766.db2.gz CQJIRJNXTOZTDF-RTBURBONSA-N 0 0 447.575 6.084 1 0 IKAFRN CSc1nn(-c2ccccc2)c2nc(Nc3ccccc3)n(-c3ccccc3)c(=O)c12 ZINC000039163696 563098827 /nfs/dbraw/zinc/09/88/27/563098827.db2.gz HRQBPNAPYMQVPH-UHFFFAOYSA-N 0 0 425.517 5.037 1 0 IKAFRN Cc1cc(Nc2ccc(OCCC(C)C)c(OCCC(C)C)c2)c2c3nc[nH]c3ccc2n1 ZINC000039214862 563098916 /nfs/dbraw/zinc/09/89/16/563098916.db2.gz TVWAIBXDEIIPOW-UHFFFAOYSA-N 0 0 446.595 7.013 1 0 IKAFRN COC(=O)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242704 563099002 /nfs/dbraw/zinc/09/90/02/563099002.db2.gz WHVBLFZVOKBKPK-HXUWFJFHSA-N 0 0 437.706 6.732 1 0 IKAFRN COC(=O)[C@H](Oc1cccc(C(C)(C)C)c1)c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000039242757 563099004 /nfs/dbraw/zinc/09/90/04/563099004.db2.gz CUDZSOAEQZVUEF-AREMUKBSSA-N 0 0 446.587 7.367 1 0 IKAFRN Cc1cccc(N(C)c2cc(Nc3cccc(C(=O)N(CC(C)C)CC(C)C)c3)ncn2)c1 ZINC000039301265 563099211 /nfs/dbraw/zinc/09/92/11/563099211.db2.gz NPKOYHVAQWHDQS-UHFFFAOYSA-N 0 0 445.611 6.051 1 0 IKAFRN O=C(c1sc(N(Cc2ccco2)Cc2ccccc2)nc1-c1ccco1)c1ccccc1 ZINC000040380378 563099609 /nfs/dbraw/zinc/09/96/09/563099609.db2.gz UXTNNVIYBQKXOL-UHFFFAOYSA-N 0 0 440.524 6.434 1 0 IKAFRN CCCN(CCC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OCC)cc1)n2CC1CC1 ZINC000040380483 563099653 /nfs/dbraw/zinc/09/96/53/563099653.db2.gz UHBSARAUJNXBCJ-UHFFFAOYSA-N 0 0 433.596 5.698 1 0 IKAFRN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)Nc1ccc(-c2ccccc2)cc1 ZINC000040380470 563099658 /nfs/dbraw/zinc/09/96/58/563099658.db2.gz AFWVAYCHBQQIPL-UHFFFAOYSA-N 0 0 447.490 6.145 1 0 IKAFRN Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1c(F)cccc1F ZINC000040380423 563099681 /nfs/dbraw/zinc/09/96/81/563099681.db2.gz BWBKKFRRYWSYQR-UHFFFAOYSA-N 0 0 449.501 5.578 1 0 IKAFRN CC(C)OP(=O)(NCCCC(=O)Nc1ccc(/C=C/c2ccccc2)cc1)OC(C)C ZINC000040393777 563100290 /nfs/dbraw/zinc/10/02/90/563100290.db2.gz PIQBTJDKXUJEKF-OUKQBFOZSA-N 0 0 444.512 6.123 1 0 IKAFRN COC1=C(C)C(=O)O/C1=C\[C@H](C)CCC/C(C)=C/CC/C(C)=C/CCC1=C[C@H](O)OC1=O ZINC000040394244 563100388 /nfs/dbraw/zinc/10/03/88/563100388.db2.gz YFUGMUILKDDXKV-CKHCNTKMSA-N 0 0 444.568 5.409 1 0 IKAFRN COc1ccc(CSc2nc(Cc3cccc4ccccc43)c(C(C)C)c(=O)[nH]2)cc1 ZINC000040394865 563100552 /nfs/dbraw/zinc/10/05/52/563100552.db2.gz BDCAVWOXRCTMMN-UHFFFAOYSA-N 0 0 430.573 5.938 1 0 IKAFRN CC(C)(C(=O)Nc1ccc(Cl)c(-c2ccco2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000040395014 563100656 /nfs/dbraw/zinc/10/06/56/563100656.db2.gz GBYDAJHWAIPJES-UHFFFAOYSA-N 0 0 438.332 5.444 1 0 IKAFRN O=C(CCCCCCc1ccccc1)c1nnc(-c2cccc(Br)n2)s1 ZINC000040395378 563100701 /nfs/dbraw/zinc/10/07/01/563100701.db2.gz XSJZIEBMRHCMRO-UHFFFAOYSA-N 0 0 430.371 5.739 1 0 IKAFRN O=C(CC12CC3CC(CC(C3)C1)C2)NCCCCCNc1ccnc2cc(Cl)ccc21 ZINC000040395252 563100721 /nfs/dbraw/zinc/10/07/21/563100721.db2.gz KPPSWPBCUPNFKC-UHFFFAOYSA-N 0 0 440.031 6.193 1 0 IKAFRN C[C@@]1(C(=O)Nc2nccs2)CC2(Br)c3ccccc3C1c1ccccc12 ZINC000040408067 563101552 /nfs/dbraw/zinc/10/15/52/563101552.db2.gz XZXFENOQESZPMK-TWMPVWRBSA-N 0 0 425.351 5.276 1 0 IKAFRN CN1Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C[C@@H]1C[NH+](C)C ZINC000040411735 563101789 /nfs/dbraw/zinc/10/17/89/563101789.db2.gz JORCHRMBCDTLBP-QFIPXVFZSA-N 0 0 445.607 5.430 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C)c1cc(Cl)ccc1C ZINC000040413801 563101997 /nfs/dbraw/zinc/10/19/97/563101997.db2.gz DBCGZDRTPLJVQO-XMMPIXPASA-N 0 0 449.038 7.358 1 0 IKAFRN COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)c1 ZINC000040414511 563102024 /nfs/dbraw/zinc/10/20/24/563102024.db2.gz OOKDYIKDKLFLOG-UHFFFAOYSA-N 0 0 440.588 5.864 1 0 IKAFRN O=C(NCCC(c1ccccc1)c1ccccc1)C(Cl)(c1ccccc1)c1ccccc1 ZINC000040414465 563102048 /nfs/dbraw/zinc/10/20/48/563102048.db2.gz LBVNIESYDKSIJK-UHFFFAOYSA-N 0 0 439.986 6.507 1 0 IKAFRN c1c2cc(-c3nc4ccccc4[nH]3)ccc2oc1-c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000040414360 563102071 /nfs/dbraw/zinc/10/20/71/563102071.db2.gz VFOYEMOOCHTLEH-UHFFFAOYSA-N 0 0 426.479 7.186 1 0 IKAFRN CCSC(=S)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000040420746 563102111 /nfs/dbraw/zinc/10/21/11/563102111.db2.gz VFHTZGWIQOHPNI-UHFFFAOYSA-N 0 0 446.040 5.095 1 0 IKAFRN Cc1ccccc1[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCC2CCCCC2)CC1 ZINC000040421205 563102250 /nfs/dbraw/zinc/10/22/50/563102250.db2.gz LTCYWRLZUYNAQC-VWLOTQADSA-N 0 0 440.031 5.645 1 0 IKAFRN CO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/CC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000040422893 563102481 /nfs/dbraw/zinc/10/24/81/563102481.db2.gz PXLMWINGEHAKIY-TYBRRPGJSA-N 0 0 430.673 5.905 1 0 IKAFRN CCO[C@H]1O[C@H]2C[C@@](C)(O)[C@H](CC/C(C)=C/C[C@H]3OC(=O)C=C3C)[C@@]3(C)CCC[C@]1(C)[C@H]23 ZINC000040422740 563102505 /nfs/dbraw/zinc/10/25/05/563102505.db2.gz DKAONKMYHABJMA-XDQACURWSA-N 0 0 446.628 5.320 1 0 IKAFRN Cc1ccccc1[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000040423779 563102794 /nfs/dbraw/zinc/10/27/94/563102794.db2.gz OLLPWANHULOQCI-DEOSSOPVSA-N 0 0 426.004 5.398 1 0 IKAFRN CCCCc1ccc(-c2ccc3c4c([nH]c3c2F)-c2ccc(NS(C)(=O)=O)cc2C4)cc1 ZINC000040428730 563103131 /nfs/dbraw/zinc/10/31/31/563103131.db2.gz VVBLUWGOSWMFIM-UHFFFAOYSA-N 0 0 448.563 6.259 1 0 IKAFRN O=C1S/C(=C\c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 ZINC000040431389 563103643 /nfs/dbraw/zinc/10/36/43/563103643.db2.gz IZDAXLSKLAFJRU-DHDCSXOGSA-N 0 0 447.356 5.841 1 0 IKAFRN C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/[C@@H]3CCCC4=C3C[C@@H](O)CC4)CCC[C@@]21C ZINC000040466813 563103977 /nfs/dbraw/zinc/10/39/77/563103977.db2.gz PLBNAEMTKYWQIE-VCQAGZOFSA-N 0 0 428.701 7.348 1 0 IKAFRN CC[C@@H](c1ccc(O)cc1Br)[C@@H](CC)c1ccc(O)cc1Br ZINC000040466311 563103980 /nfs/dbraw/zinc/10/39/80/563103980.db2.gz BWPZNGUCESKSRI-ZIAGYGMSSA-N 0 0 428.164 6.310 1 0 IKAFRN CCCC[C@@H]1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000040466323 563103989 /nfs/dbraw/zinc/10/39/89/563103989.db2.gz MZELAPLYHMJGGX-XMMPIXPASA-N 0 0 438.535 5.118 1 0 IKAFRN CC(C)OC(=O)N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4O)c3O)cc2c1 ZINC000040556629 563104587 /nfs/dbraw/zinc/10/45/87/563104587.db2.gz BDMKJHIWACLTEC-UHFFFAOYSA-N 0 0 429.476 5.373 1 0 IKAFRN COc1cc(CCCCCCCCCCCCCCCCO)c(OC)c(OC)c1OC ZINC000040564552 563104702 /nfs/dbraw/zinc/10/47/02/563104702.db2.gz UKSXCWDTERFLNL-UHFFFAOYSA-N 0 0 438.649 6.717 1 0 IKAFRN COc1cc(/C=C\Cc2cc3scc(-c4ccccc4)c3c(O)c2)cc(OC)c1OC ZINC000040566160 563104853 /nfs/dbraw/zinc/10/48/53/563104853.db2.gz NAVVFPQXDVMBLD-CLFYSBASSA-N 0 0 432.541 6.556 1 0 IKAFRN C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(=CCF)[C@H](O)C3)CCC[C@@]21C ZINC000040585220 563105448 /nfs/dbraw/zinc/10/54/48/563105448.db2.gz NPQPAYRGQQTLEO-HBQNESJWSA-N 0 0 448.663 6.044 1 0 IKAFRN C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=CCO)[C@H](O)C3)CCC[C@@]21C ZINC000040585235 563105475 /nfs/dbraw/zinc/10/54/75/563105475.db2.gz YNIUCOAOVZEMHY-UQCFKRGVSA-N 0 0 446.672 5.067 1 0 IKAFRN CC1(C)COP(=O)(C(CCC(=O)c2ccccc2)P2(=O)OCC(C)(C)CO2)OC1 ZINC000040631809 563105628 /nfs/dbraw/zinc/10/56/28/563105628.db2.gz YZVIXVSLZRMOIN-UHFFFAOYSA-N 0 0 444.401 5.508 1 0 IKAFRN CCCCc1nc([C@@H](C)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n(CCCC)n1 ZINC000040639246 563105702 /nfs/dbraw/zinc/10/57/02/563105702.db2.gz REJXIIHCBYNERW-SFHVURJKSA-N 0 0 429.572 5.420 1 0 IKAFRN O=c1c2ccccc2c(Cc2ccc3ccccc3c2)nn1-c1ccc(Br)cc1 ZINC000040762950 563106332 /nfs/dbraw/zinc/10/63/32/563106332.db2.gz HZHBDEYGKVBDSF-UHFFFAOYSA-N 0 0 441.328 5.892 1 0 IKAFRN O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000040791300 563106821 /nfs/dbraw/zinc/10/68/21/563106821.db2.gz NVMIPOOAPIJFSG-OAQYLSRUSA-N 0 0 440.543 5.456 1 0 IKAFRN CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC(C)C)cc1)n2CCC(C)C ZINC000040835286 563107140 /nfs/dbraw/zinc/10/71/40/563107140.db2.gz IUWTVEUGDDMZCM-UHFFFAOYSA-N 0 0 435.612 5.942 1 0 IKAFRN COc1ccc(-c2nnc(-n3c(/C=C/c4ccccc4)nc4ccccc4c3=O)s2)cc1 ZINC000040836258 563107233 /nfs/dbraw/zinc/10/72/33/563107233.db2.gz UEWXVYIRZGDCHQ-LFIBNONCSA-N 0 0 438.512 5.083 1 0 IKAFRN CSc1ccc(Cc2nnc3sc(-c4ccc(Cl)c(Cl)c4Cl)nn23)cc1 ZINC000040835755 563107268 /nfs/dbraw/zinc/10/72/68/563107268.db2.gz FKLDPIMPFNJHRO-UHFFFAOYSA-N 0 0 441.796 6.126 1 0 IKAFRN O=C(NN1CCCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040845392 563107338 /nfs/dbraw/zinc/10/73/38/563107338.db2.gz MVUYLFWDJFHHQJ-UHFFFAOYSA-N 0 0 449.769 5.630 1 0 IKAFRN Cc1cc(-c2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)[O-] ZINC000040847931 563107706 /nfs/dbraw/zinc/10/77/06/563107706.db2.gz USJOBWDHNSUTQH-ZCYQVOJMSA-N 0 0 435.951 5.194 1 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/nfs/dbraw/zinc/10/87/07/563108707.db2.gz IWCYUGVZRFNYJU-HSZRJFAPSA-N 0 0 449.620 5.486 1 0 IKAFRN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCCC4)C(=O)N32)cc1 ZINC000040865535 563108732 /nfs/dbraw/zinc/10/87/32/563108732.db2.gz FIOOEPVDEGOUBI-ILBGXUMGSA-N 0 0 443.547 5.178 1 0 IKAFRN CC[C@@]1(C)CCC[C@]2(C)[C@H]3C[C@H](OC(C)=O)[C@]4(C)C[C@H](C(C)=O)[C@@H](O)C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000040872566 563109034 /nfs/dbraw/zinc/10/90/34/563109034.db2.gz QYCIWRABWJCETB-NTWAHVCQSA-N 0 0 446.672 5.943 1 0 IKAFRN Cc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)s1 ZINC000040873046 563109098 /nfs/dbraw/zinc/10/90/98/563109098.db2.gz IKCLEONCNGHCMG-UHFFFAOYSA-N 0 0 439.846 5.628 1 0 IKAFRN O=C(Nc1nc2ccccc2c2cn(-c3ccc(C(F)(F)F)cc3)nc21)c1ccccc1 ZINC000040874057 563109263 /nfs/dbraw/zinc/10/92/63/563109263.db2.gz YJZJUVWNAUQEGS-UHFFFAOYSA-N 0 0 432.405 5.845 1 0 IKAFRN Cc1cccc(Cl)c1Nc1nc2c(ncnc2Nc2ccc(C(F)(F)F)cc2)s1 ZINC000040874793 563109351 /nfs/dbraw/zinc/10/93/51/563109351.db2.gz GVXKEDWJCUDBKK-UHFFFAOYSA-N 0 0 435.862 6.554 1 0 IKAFRN O=C(NCC1CCC1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000040874524 563109353 /nfs/dbraw/zinc/10/93/53/563109353.db2.gz ULDUMNWXYDJECG-UHFFFAOYSA-N 0 0 432.395 5.210 1 0 IKAFRN Cc1cc(NC(=O)c2ccccc2)c2cc(NC(=O)Nc3ccc(F)c(Cl)c3)ccc2n1 ZINC000040875820 563109443 /nfs/dbraw/zinc/10/94/43/563109443.db2.gz GUHSPUNCNHMXAC-UHFFFAOYSA-N 0 0 448.885 6.232 1 0 IKAFRN Cc1ccc(NC(=O)Nc2ccc3ncnc(Nc4ccc(Cl)cc4)c3c2)cc1Cl ZINC000040877538 563109465 /nfs/dbraw/zinc/10/94/65/563109465.db2.gz XZDXHQIVLWEVCM-UHFFFAOYSA-N 0 0 438.318 6.633 1 0 IKAFRN Brc1ccc(Nc2nnc(COc3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000040877338 563109486 /nfs/dbraw/zinc/10/94/86/563109486.db2.gz QNEJAJVGBHAPQJ-UHFFFAOYSA-N 0 0 438.350 6.290 1 0 IKAFRN O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc21)c1cccc(C(F)(F)F)c1 ZINC000040876469 563109510 /nfs/dbraw/zinc/10/95/10/563109510.db2.gz IMHUMAVXQPDKFU-UHFFFAOYSA-N 0 0 432.405 5.845 1 0 IKAFRN 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AJSPXZGDXSOKJL-NDEPHWFRSA-N 0 0 439.986 6.810 1 0 IKAFRN CC(C)n1ccc2cc(N3CCC(c4nc(-c5ccc(F)cc5Cl)no4)CC3)cnc21 ZINC000040918046 563111693 /nfs/dbraw/zinc/11/16/93/563111693.db2.gz JFQSYCUGCCXESU-UHFFFAOYSA-N 0 0 439.922 5.844 1 0 IKAFRN Fc1cc(-c2nc3scc(-c4ccc(Br)cc4)n3n2)c(Cl)cc1Cl ZINC000040918693 563111836 /nfs/dbraw/zinc/11/18/36/563111836.db2.gz DUMWZTMCYBIAGT-UHFFFAOYSA-N 0 0 443.128 6.333 1 0 IKAFRN O=C([O-])c1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000040934234 563112387 /nfs/dbraw/zinc/11/23/87/563112387.db2.gz WHYVOHRBELCGNG-UHFFFAOYSA-N 0 0 430.504 5.028 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1cc(C)ccc1C ZINC000040934834 563112580 /nfs/dbraw/zinc/11/25/80/563112580.db2.gz OCBXNASIFNRGMJ-VWLOTQADSA-N 0 0 428.620 7.013 1 0 IKAFRN CSc1nc(-c2ccnc(NCc3ccc(C(C)(C)C)cc3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000040936083 563112748 /nfs/dbraw/zinc/11/27/48/563112748.db2.gz VHRJFSSFOYNUHL-UHFFFAOYSA-N 0 0 446.595 6.909 1 0 IKAFRN CCSC(=S)SCC(=O)c1cccc(NC(=O)c2cnc3ccccc3c2)c1 ZINC000040935871 563112757 /nfs/dbraw/zinc/11/27/57/563112757.db2.gz BEKGFNTZGMLIIM-UHFFFAOYSA-N 0 0 426.588 5.441 1 0 IKAFRN O=C(c1ccc(-c2ccccc2C(F)(F)F)nc1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000040936013 563112759 /nfs/dbraw/zinc/11/27/59/563112759.db2.gz CVWDILINRDAORG-HXUWFJFHSA-N 0 0 440.465 5.589 1 0 IKAFRN CC(C)[C@@H](C)C[C@@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040936439 563112857 /nfs/dbraw/zinc/11/28/57/563112857.db2.gz PKESXWKAOMUZDM-QKXBGICNSA-N 0 0 430.673 5.785 1 0 IKAFRN CC(C)c1[nH+]ccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@H]1CC(=O)[O-] ZINC000040937623 563113003 /nfs/dbraw/zinc/11/30/03/563113003.db2.gz BDEJQAFLKBWLRG-ZDUSSCGKSA-N 0 0 449.403 6.970 1 0 IKAFRN COC(=O)c1ccc(NCc2cncn2Cc2ccc(Cl)cc2)cc1-c1ccccc1 ZINC000040938122 563113133 /nfs/dbraw/zinc/11/31/33/563113133.db2.gz VBHDZMGTCYVBSV-UHFFFAOYSA-N 0 0 431.923 5.651 1 0 IKAFRN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)N=C(c1ccc(F)cc1)c1ccccc1N2 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Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(Oc3ccccc3)c2)c1C ZINC000040950916 563113876 /nfs/dbraw/zinc/11/38/76/563113876.db2.gz DONUTQXTZINJRU-XMMPIXPASA-N 0 0 427.504 5.362 1 0 IKAFRN O=C(Nc1ccccc1Cl)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1 ZINC000040950717 563113918 /nfs/dbraw/zinc/11/39/18/563113918.db2.gz CLOQRRBPZHLSQE-UHFFFAOYSA-N 0 0 449.873 5.714 1 0 IKAFRN CCOC(=O)c1cccc(COc2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)n1 ZINC000040950849 563113925 /nfs/dbraw/zinc/11/39/25/563113925.db2.gz KVHHFQHQIALMSP-UHFFFAOYSA-N 0 0 444.331 5.423 1 0 IKAFRN Cc1ncsc1C(=O)N(Cc1cc(=O)oc2c(F)cccc12)c1cccc(Cl)c1 ZINC000040951876 563114099 /nfs/dbraw/zinc/11/40/99/563114099.db2.gz QJGXRLYGLJQHCS-UHFFFAOYSA-N 0 0 428.872 5.197 1 0 IKAFRN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(Oc3ccccc3)c2)cc1C ZINC000040952111 563114106 /nfs/dbraw/zinc/11/41/06/563114106.db2.gz KKNXUQUBMSBTKF-XMMPIXPASA-N 0 0 427.504 5.362 1 0 IKAFRN COc1cc2c(ccn2CCCCCCCCC[C@H](CCC(C)=O)OC(C)=O)c(OC)c1 ZINC000040953041 563114204 /nfs/dbraw/zinc/11/42/04/563114204.db2.gz MZGHSZQWPGTVEH-JOCHJYFZSA-N 0 0 445.600 6.080 1 0 IKAFRN CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)no1 ZINC000040952498 563114205 /nfs/dbraw/zinc/11/42/05/563114205.db2.gz NSCVIESJOHZNQI-UHFFFAOYSA-N 0 0 434.292 5.016 1 0 IKAFRN CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1ccc(Cl)cc1N2c1ccc(C)cc1 ZINC000040954971 563114555 /nfs/dbraw/zinc/11/45/55/563114555.db2.gz NFQMJGYKVNUZOU-UHFFFAOYSA-N 0 0 448.953 5.085 1 0 IKAFRN Clc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 ZINC000040973493 563115045 /nfs/dbraw/zinc/11/50/45/563115045.db2.gz ICESTFCFIAIMQG-UHFFFAOYSA-N 0 0 449.985 7.531 1 0 IKAFRN O=C(COc1c(=O)c2ccccc2oc1-c1ccccc1)Nc1ccc(-c2ccccc2)cc1 ZINC000040973886 563115088 /nfs/dbraw/zinc/11/50/88/563115088.db2.gz YUSKCDCCGMWMPJ-UHFFFAOYSA-N 0 0 447.490 6.145 1 0 IKAFRN Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCSC2)cc1 ZINC000040974278 563115096 /nfs/dbraw/zinc/11/50/96/563115096.db2.gz LKRTVYMJTLSROG-UHFFFAOYSA-N 0 0 434.540 5.002 1 0 IKAFRN CN1C(c2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3Cl)n2)=NC(=O)C1(C)C ZINC000040979476 563115435 /nfs/dbraw/zinc/11/54/35/563115435.db2.gz CWVYIGTYSQZSBO-UHFFFAOYSA-N 0 0 447.753 5.497 1 0 IKAFRN CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1cc(OC)c(OC)cc21 ZINC000042920189 563116189 /nfs/dbraw/zinc/11/61/89/563116189.db2.gz CNIYMXQGMPAJOY-UHFFFAOYSA-N 0 0 439.895 5.465 1 0 IKAFRN COc1ccc(-c2oc(=O)c3sc4ccccc4c3c2I)cc1 ZINC000042988928 563116247 /nfs/dbraw/zinc/11/62/47/563116247.db2.gz ORPMMRQFMDDEEY-UHFFFAOYSA-N 0 0 434.254 5.288 1 0 IKAFRN CCOC(=O)N1CCC[C@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1 ZINC000043015754 563116830 /nfs/dbraw/zinc/11/68/30/563116830.db2.gz AKQRZCAKTSCFIF-QFIPXVFZSA-N 0 0 446.482 5.850 1 0 IKAFRN O=C(NC1CCCCC1)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1 ZINC000043019929 563117128 /nfs/dbraw/zinc/11/71/28/563117128.db2.gz BRDSEPLLOOTSPF-UHFFFAOYSA-N 0 0 435.470 5.914 1 0 IKAFRN O=C(Cc1ccccc1-c1ccccc1)N1CCN(Cc2ccc3cc(F)ccc3c2)CC1 ZINC000043020751 563117177 /nfs/dbraw/zinc/11/71/77/563117177.db2.gz ZMKPOTSRFBRXNL-UHFFFAOYSA-N 0 0 438.546 5.533 1 0 IKAFRN CCOC(=O)N1CCC[C@H]1c1cc2[nH]c(-c3cccnc3)nc2cc1Oc1ccc(F)cc1 ZINC000043021455 563117184 /nfs/dbraw/zinc/11/71/84/563117184.db2.gz XAAFFLZWYJXBHA-QFIPXVFZSA-N 0 0 446.482 5.850 1 0 IKAFRN CCOC(=O)N1CCC[C@H]1c1cc2[nH]c(-c3ccccc3)nc2cc1Oc1ccc(F)cc1 ZINC000043021201 563117191 /nfs/dbraw/zinc/11/71/91/563117191.db2.gz GBUHKHMECCYFOX-QHCPKHFHSA-N 0 0 445.494 6.455 1 0 IKAFRN CCC(=O)N1CCC[C@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1 ZINC000043020611 563117221 /nfs/dbraw/zinc/11/72/21/563117221.db2.gz ULSWPSNKIIZNJX-QFIPXVFZSA-N 0 0 430.483 5.630 1 0 IKAFRN Cc1ccc(C2=NN(C(=O)CSc3nc4ccccc4[nH]3)[C@H](c3ccccc3)C2)cc1C ZINC000043023639 563117329 /nfs/dbraw/zinc/11/73/29/563117329.db2.gz QSIHBQSNJOIWAO-DEOSSOPVSA-N 0 0 440.572 5.650 1 0 IKAFRN Cc1ccc(C2=NN(C(=O)CSc3nc4ccccc4[nH]3)[C@@H](c3ccccc3)C2)cc1C ZINC000043023644 563117333 /nfs/dbraw/zinc/11/73/33/563117333.db2.gz QSIHBQSNJOIWAO-XMMPIXPASA-N 0 0 440.572 5.650 1 0 IKAFRN Cc1ccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)c(Br)c1 ZINC000043025207 563117411 /nfs/dbraw/zinc/11/74/11/563117411.db2.gz LMOSBIQOHCWKBG-UHFFFAOYSA-N 0 0 436.762 5.327 1 0 IKAFRN Cc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)nc4)cc3)cn12 ZINC000043059513 563117577 /nfs/dbraw/zinc/11/75/77/563117577.db2.gz OZVANZLFCOAGIB-UHFFFAOYSA-N 0 0 436.437 5.853 1 0 IKAFRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ccc2occc(=O)c2c1 ZINC000043069449 563118003 /nfs/dbraw/zinc/11/80/03/563118003.db2.gz HVJUKOMXCPCKPX-UHFFFAOYSA-N 0 0 438.405 6.116 1 0 IKAFRN Cc1c(CN2CCN(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)sc2ccccc12 ZINC000043076477 563118293 /nfs/dbraw/zinc/11/82/93/563118293.db2.gz GMGNYRQJWXQTQP-UHFFFAOYSA-N 0 0 442.588 5.621 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2cnc(Sc3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000043077184 563118386 /nfs/dbraw/zinc/11/83/86/563118386.db2.gz FWTQZSCEQCJDJS-UHFFFAOYSA-N 0 0 436.533 5.504 1 0 IKAFRN O=C1CSC(N2N=C(c3ccccc3)C[C@H]2c2ccc(OCc3ccccc3)cc2)=N1 ZINC000043079788 563118482 /nfs/dbraw/zinc/11/84/82/563118482.db2.gz KNJOUWDAWPWWPJ-QHCPKHFHSA-N 0 0 427.529 5.046 1 0 IKAFRN CCCCCCc1[nH]c2cc(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000043079948 563118577 /nfs/dbraw/zinc/11/85/77/563118577.db2.gz RNUGQSSGROBNTF-UHFFFAOYSA-N 0 0 425.525 5.556 1 0 IKAFRN CC(C)(C)c1ccc(NC(=O)N2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000043195976 563119266 /nfs/dbraw/zinc/11/92/66/563119266.db2.gz KQDFTCQWYWGQQB-UHFFFAOYSA-N 0 0 447.501 5.383 1 0 IKAFRN Cc1cccc(N2CC3(CCC(c4nc5cc(OC(F)(F)F)ccc5[nH]4)CC3)OC2=O)n1 ZINC000043200812 563119456 /nfs/dbraw/zinc/11/94/56/563119456.db2.gz LAPTUSDQWPEELF-UHFFFAOYSA-N 0 0 446.429 5.218 1 0 IKAFRN CC(C)Oc1ccc(-c2nc(-c3cccc4c3C[N@H+](CCCC(=O)[O-])C4)no2)cc1Cl ZINC000043206617 563119622 /nfs/dbraw/zinc/11/96/22/563119622.db2.gz PVNSGOZBJZBKCA-UHFFFAOYSA-N 0 0 441.915 5.025 1 0 IKAFRN CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000044086708 563121639 /nfs/dbraw/zinc/12/16/39/563121639.db2.gz SMGVSNRVGURTQV-RYWLMXRFSA-N 0 0 446.716 5.966 1 0 IKAFRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@]3(O)C=C[C@]21O ZINC000044388161 563122066 /nfs/dbraw/zinc/12/20/66/563122066.db2.gz UPJVQRZPXLZUET-KGHQQZOUSA-N 0 0 430.673 5.496 1 0 IKAFRN COc1ccc(Oc2ccc(Nc3ccnc4ccc(C(F)(F)F)cc43)cc2)cc1OC ZINC000045166863 563122190 /nfs/dbraw/zinc/12/21/90/563122190.db2.gz MDTYINBUMDISHZ-UHFFFAOYSA-N 0 0 440.421 6.807 1 0 IKAFRN O=c1cc(NCC[C@@H]2CC=CCN2Cc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 ZINC000045167489 563122373 /nfs/dbraw/zinc/12/23/73/563122373.db2.gz FUXMCEXQNHCLQI-KRWDZBQOSA-N 0 0 428.363 5.468 1 0 IKAFRN Cc1ccc2cc(NC(=O)c3cccc(C(=O)Nc4ccc5nc(C)ccc5c4)n3)ccc2n1 ZINC000045167673 563122431 /nfs/dbraw/zinc/12/24/31/563122431.db2.gz HTVXYKVTTVEGDS-UHFFFAOYSA-N 0 0 447.498 5.299 1 0 IKAFRN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1 ZINC000045168016 563122564 /nfs/dbraw/zinc/12/25/64/563122564.db2.gz CFCZRWBWIKPDDJ-NSYGIPOTSA-N 0 0 443.522 5.412 1 0 IKAFRN C[C@H](O)[C@H]1CCCCN1C(=O)c1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1 ZINC000045168018 563122602 /nfs/dbraw/zinc/12/26/02/563122602.db2.gz CFCZRWBWIKPDDJ-SSOJOUAXSA-N 0 0 443.522 5.412 1 0 IKAFRN Cc1[nH]c(C)c(-c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c(=O)c1Br ZINC000045187720 563122996 /nfs/dbraw/zinc/12/29/96/563122996.db2.gz OHSAGXOJJLCHHM-UHFFFAOYSA-N 0 0 439.136 6.520 1 0 IKAFRN C[C@H](O)[C@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 ZINC000045187851 563123006 /nfs/dbraw/zinc/12/30/06/563123006.db2.gz FPACHUNFHLBRSN-HRAATJIYSA-N 0 0 431.561 5.334 1 0 IKAFRN C[C@H](O)[C@@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 ZINC000045187845 563123011 /nfs/dbraw/zinc/12/30/11/563123011.db2.gz FPACHUNFHLBRSN-KKSFZXQISA-N 0 0 431.561 5.334 1 0 IKAFRN O=C(c1cncc(-c2ccccc2)c1)N(Cc1cncn1Cc1ccccc1F)CC1CC1 ZINC000045189064 563123188 /nfs/dbraw/zinc/12/31/88/563123188.db2.gz NCFPFLYIDHLJTM-UHFFFAOYSA-N 0 0 440.522 5.185 1 0 IKAFRN C=Cc1cc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc(-c2cccnc2)c1 ZINC000045191154 563123743 /nfs/dbraw/zinc/12/37/43/563123743.db2.gz MKMZKOBZXSQVLR-UHFFFAOYSA-N 0 0 439.437 6.014 1 0 IKAFRN Cc1nnsc1C(=O)Nc1ccc(-c2ccc(-c3nc4c(cccc4C)[nH]3)s2)cc1 ZINC000045191866 563123757 /nfs/dbraw/zinc/12/37/57/563123757.db2.gz JQFZBERDMHBUBH-UHFFFAOYSA-N 0 0 431.546 5.679 1 0 IKAFRN COc1cc2nc(NCCc3ccccc3)nc(N[C@@H](C)c3ccccc3)c2cc1OC ZINC000045192967 563123902 /nfs/dbraw/zinc/12/39/02/563123902.db2.gz QLONGTBHBFULLE-SFHVURJKSA-N 0 0 428.536 5.475 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000045192816 563124012 /nfs/dbraw/zinc/12/40/12/563124012.db2.gz CTKNPOAEFLEMJA-UHFFFAOYSA-N 0 0 438.918 7.194 1 0 IKAFRN Nc1nccc2ccc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc12 ZINC000045194803 563124283 /nfs/dbraw/zinc/12/42/83/563124283.db2.gz VOUUFRXEYKMGDP-UHFFFAOYSA-N 0 0 440.400 6.286 1 0 IKAFRN CC(C)COc1ccc(Cl)cc1Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)o1 ZINC000045201485 563124710 /nfs/dbraw/zinc/12/47/10/563124710.db2.gz PZMSBOCFHQQREM-UHFFFAOYSA-N 0 0 448.872 7.121 1 0 IKAFRN O=C(Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000045201688 563124856 /nfs/dbraw/zinc/12/48/56/563124856.db2.gz HERHRJPJOZMSKU-SQHAQQRYSA-N 0 0 444.538 6.575 1 0 IKAFRN COc1ccc(Nc2ncc3c(-c4cccc(NC(=O)CC(C)C)c4)c[nH]c3n2)cc1OC ZINC000045202966 563125134 /nfs/dbraw/zinc/12/51/34/563125134.db2.gz AVUMLFWVXLKHQU-UHFFFAOYSA-N 0 0 445.523 5.370 1 0 IKAFRN Cc1[nH]c(C)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Br ZINC000045202999 563125207 /nfs/dbraw/zinc/12/52/07/563125207.db2.gz KVMIXDAGQODHLA-UHFFFAOYSA-N 0 0 438.243 5.987 1 0 IKAFRN CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)cn1 ZINC000045210158 563125278 /nfs/dbraw/zinc/12/52/78/563125278.db2.gz WDLDHFILDXBPID-UHFFFAOYSA-N 0 0 447.498 5.503 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2csc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000045210772 563125322 /nfs/dbraw/zinc/12/53/22/563125322.db2.gz STJFMUWBKQADGC-UHFFFAOYSA-N 0 0 444.947 7.256 1 0 IKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000045226929 563125426 /nfs/dbraw/zinc/12/54/26/563125426.db2.gz QOAMUZZNCVGFBN-INIZCTEOSA-N 0 0 434.849 5.307 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)C(=O)c5cccn5C)cc4)c3)nc21 ZINC000045228741 563125739 /nfs/dbraw/zinc/12/57/39/563125739.db2.gz SSFXCNQPUPWBEH-UHFFFAOYSA-N 0 0 434.499 5.365 1 0 IKAFRN O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000045229564 563125958 /nfs/dbraw/zinc/12/59/58/563125958.db2.gz YCOQUNGLBWMNTP-UHFFFAOYSA-N 0 0 448.876 5.698 1 0 IKAFRN O=C(CCCCCCn1cc(-c2cccnc2)nn1)Nc1ccccc1Oc1ccccc1 ZINC000045245067 563126409 /nfs/dbraw/zinc/12/64/09/563126409.db2.gz BOWRJMOJYLNMFM-UHFFFAOYSA-N 0 0 441.535 5.722 1 0 IKAFRN CCn1cnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)c1 ZINC000045245919 563126649 /nfs/dbraw/zinc/12/66/49/563126649.db2.gz WAAXQYYJFWHYDF-UHFFFAOYSA-N 0 0 431.754 6.691 1 0 IKAFRN C[C@@](O)(c1ccc(Cl)cc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C ZINC000045252893 563126754 /nfs/dbraw/zinc/12/67/54/563126754.db2.gz AKMUGEXFTSZYPE-AYRHNUGRSA-N 0 0 436.958 6.454 1 0 IKAFRN CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)C1c1nc2cc(Cl)ccc2n1C ZINC000045253090 563126819 /nfs/dbraw/zinc/12/68/19/563126819.db2.gz KPKSGFQVORNLSF-FQEVSTJZSA-N 0 0 444.753 6.176 1 0 IKAFRN CCOC(=O)c1cc(/C=C/c2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)on1 ZINC000045253586 563126929 /nfs/dbraw/zinc/12/69/29/563126929.db2.gz QTBKMNNLXQBTMO-VOTSOKGWSA-N 0 0 430.304 5.608 1 0 IKAFRN S=C(Nc1cccc(Cl)c1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 ZINC000045254805 563127100 /nfs/dbraw/zinc/12/71/00/563127100.db2.gz NCGROZYMZSVLRL-UHFFFAOYSA-N 0 0 440.359 6.489 1 0 IKAFRN COc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1 ZINC000045254709 563127123 /nfs/dbraw/zinc/12/71/23/563127123.db2.gz JHJLYILMESERSD-UHFFFAOYSA-N 0 0 447.332 5.695 1 0 IKAFRN C[C@@](O)(Cc1ccc(F)cc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C ZINC000045259998 563127668 /nfs/dbraw/zinc/12/76/68/563127668.db2.gz WURAKPAOMDMLLY-DOEKTCAHSA-N 0 0 434.530 6.025 1 0 IKAFRN O=C(CCCCCCn1cc(-c2cccnc2)nn1)Nc1ccccc1Cc1ccccc1 ZINC000045260370 563127741 /nfs/dbraw/zinc/12/77/41/563127741.db2.gz MGVFPEPGORBZJI-UHFFFAOYSA-N 0 0 439.563 5.520 1 0 IKAFRN CCCOc1cccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)c4cn[nH]c4)cc3)cc2)c1 ZINC000045260342 563127751 /nfs/dbraw/zinc/12/77/51/563127751.db2.gz INITZJYAMOMMSL-IBGZPJMESA-N 0 0 441.531 6.149 1 0 IKAFRN COc1ccc([C@@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)OC(C)(C)C ZINC000045260947 563127762 /nfs/dbraw/zinc/12/77/62/563127762.db2.gz ZETKNZHIJVJONK-DLBZAZTESA-N 0 0 429.513 5.339 1 0 IKAFRN COc1ccc(Nc2ncnc3ccc(NC(=S)Nc4ccc(Cl)cc4)cc32)cc1 ZINC000045286877 563128419 /nfs/dbraw/zinc/12/84/19/563128419.db2.gz ZELRXNALFAUBBX-UHFFFAOYSA-N 0 0 435.940 5.844 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1)Nc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl ZINC000045287068 563128427 /nfs/dbraw/zinc/12/84/27/563128427.db2.gz QVPOWHSESYDQJX-UHFFFAOYSA-N 0 0 448.281 5.520 1 0 IKAFRN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cc3ccccn3c2)c1 ZINC000045287736 563128503 /nfs/dbraw/zinc/12/85/03/563128503.db2.gz OXLXRIQAZIQOJC-UHFFFAOYSA-N 0 0 429.829 6.234 1 0 IKAFRN CCCn1c(=S)[nH]nc1Cc1csc2nc(-c3ccc(Br)cc3)cn12 ZINC000045290057 563128718 /nfs/dbraw/zinc/12/87/18/563128718.db2.gz UKTUGCRZRXCMEC-UHFFFAOYSA-N 0 0 434.388 5.080 1 0 IKAFRN S=C(Nc1ccc(Cl)cc1)Nc1ncnc2c1sc(=S)n2-c1ccccc1 ZINC000045300520 563129120 /nfs/dbraw/zinc/12/91/20/563129120.db2.gz UWQNHQPTUZMEQW-UHFFFAOYSA-N 0 0 429.983 5.674 1 0 IKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)NC2CCCC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000045300758 563129126 /nfs/dbraw/zinc/12/91/26/563129126.db2.gz WNQMPNPTBHEOND-UHFFFAOYSA-N 0 0 431.367 5.567 1 0 IKAFRN O[C@]1(c2ccccc2)c2cc(Cl)ccc2O[C@@H]1c1nc2c(o1)c(Cl)ccc2Cl ZINC000045302015 563129297 /nfs/dbraw/zinc/12/92/97/563129297.db2.gz VOBKRGOZFWUAFL-TZIWHRDSSA-N 0 0 432.690 6.158 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)Cc5ccc[n+]([O-])c5)cc4)c3)nc21 ZINC000045302155 563129379 /nfs/dbraw/zinc/12/93/79/563129379.db2.gz VTOAKZQZOHGZIZ-UHFFFAOYSA-N 0 0 434.499 5.020 1 0 IKAFRN O=C(NC1CC1)c1ccc2cc(C(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)ccc2c1 ZINC000045302601 563129574 /nfs/dbraw/zinc/12/95/74/563129574.db2.gz WECSHLFKFXTYJQ-NDEPHWFRSA-N 0 0 446.550 5.520 1 0 IKAFRN Cc1c(-c2cn(C(C)C)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000045302973 563129689 /nfs/dbraw/zinc/12/96/89/563129689.db2.gz JUPJTDKQLVRRDB-UHFFFAOYSA-N 0 0 445.781 7.252 1 0 IKAFRN CCCCn1c(=S)[nH]nc1Cc1csc2nc(-c3ccc(Br)cc3)cn12 ZINC000045315174 563129785 /nfs/dbraw/zinc/12/97/85/563129785.db2.gz XIEKRCJKKQSNRA-UHFFFAOYSA-N 0 0 448.415 5.470 1 0 IKAFRN CN1c2ncnn2[C@@H](c2ccc(F)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(F)cc1 ZINC000045314811 563129811 /nfs/dbraw/zinc/12/98/11/563129811.db2.gz MMTJTCFRHQSHBS-LADGPHEKSA-N 0 0 428.442 5.141 1 0 IKAFRN CN1c2ncnn2[C@H](c2ccc(F)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(F)cc1 ZINC000045314814 563129813 /nfs/dbraw/zinc/12/98/13/563129813.db2.gz MMTJTCFRHQSHBS-VWNXMTODSA-N 0 0 428.442 5.141 1 0 IKAFRN CC(C)Nc1cc(-c2nc3cc(Cl)c(Cl)cc3nc2-c2ccc(F)cc2)ccn1 ZINC000045315870 563129881 /nfs/dbraw/zinc/12/98/81/563129881.db2.gz YBHHLYSIOSEZEX-UHFFFAOYSA-N 0 0 427.310 6.625 1 0 IKAFRN CC(=O)N[C@@H](C)c1ccc(-c2ccc(Oc3ccc(OCc4ccccc4)cc3)cc2)cc1 ZINC000045322187 563130418 /nfs/dbraw/zinc/13/04/18/563130418.db2.gz XXJLQMJCKKIIFA-NRFANRHFSA-N 0 0 437.539 6.922 1 0 IKAFRN CC(C)c1sc(N2CCC(C)CC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000045323443 563130653 /nfs/dbraw/zinc/13/06/53/563130653.db2.gz XRNGUTHVSSUXFO-UHFFFAOYSA-N 0 0 429.483 5.913 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)c5cccc(C(N)=O)c5)cc4)c3)nc21 ZINC000045322384 563130495 /nfs/dbraw/zinc/13/04/95/563130495.db2.gz BYSDEHFMQXWUNH-UHFFFAOYSA-N 0 0 446.510 5.557 1 0 IKAFRN C[C@H](O)[C@H]1CCCCN1C(=O)c1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000045323590 563130752 /nfs/dbraw/zinc/13/07/52/563130752.db2.gz AOGCAGPRZDSHRL-AVRWGWEMSA-N 0 0 425.532 5.272 1 0 IKAFRN O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000045323615 563130759 /nfs/dbraw/zinc/13/07/59/563130759.db2.gz BTEOLPBPGNWMEQ-MRXNPFEDSA-N 0 0 434.849 5.307 1 0 IKAFRN Cc1cc(C)n(-c2nc(-c3ccccc3)nc3c2[C@@H]2CCCN2C(=O)N3c2ccccc2)n1 ZINC000045334611 563131114 /nfs/dbraw/zinc/13/11/14/563131114.db2.gz TXILYGWDCJCVGK-NRFANRHFSA-N 0 0 436.519 5.355 1 0 IKAFRN Cc1cccc2[nH]c(-c3ccc(-c4cccc(C(=O)N5CCCC[C@H]5[C@H](C)O)c4)s3)nc21 ZINC000045334561 563131117 /nfs/dbraw/zinc/13/11/17/563131117.db2.gz FEONNFNUMJIIFV-UWJYYQICSA-N 0 0 445.588 5.642 1 0 IKAFRN Cc1cccc2[nH]c(-c3ccc(-c4cccc(C(=O)N5CCCC[C@H]5[C@@H](C)O)c4)s3)nc21 ZINC000045334557 563131119 /nfs/dbraw/zinc/13/11/19/563131119.db2.gz FEONNFNUMJIIFV-UTKZUKDTSA-N 0 0 445.588 5.642 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)C(C)(C)c5ccccn5)cc4)c3)nc21 ZINC000045334676 563131179 /nfs/dbraw/zinc/13/11/79/563131179.db2.gz OKSMSEIOIDBQSX-UHFFFAOYSA-N 0 0 446.554 6.517 1 0 IKAFRN Cc1cc(C)cc(C(=O)c2[nH]c(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)c1 ZINC000045336070 563131413 /nfs/dbraw/zinc/13/14/13/563131413.db2.gz GUTBPLHSNVLTFI-UHFFFAOYSA-N 0 0 425.488 5.003 1 0 IKAFRN CC(C)CNC(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1 ZINC000045336368 563131500 /nfs/dbraw/zinc/13/15/00/563131500.db2.gz VTFVYBYNSPOXNS-VFNWGFHPSA-N 0 0 439.814 6.377 1 0 IKAFRN CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(Cl)nc21 ZINC000045338492 563131763 /nfs/dbraw/zinc/13/17/63/563131763.db2.gz VCMJTAVRHDVBBI-UHFFFAOYSA-N 0 0 440.971 5.828 1 0 IKAFRN CC(=O)Oc1ccc([C@@H]2Oc3ccccc3[C@H](c3ccc(O)cc3)[C@H]2c2ccccc2)cc1 ZINC000045348236 563131993 /nfs/dbraw/zinc/13/19/93/563131993.db2.gz SYZAHJUALPOQSQ-NHKHRBQYSA-N 0 0 436.507 6.367 1 0 IKAFRN COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3O)c2cc1OC ZINC000045351433 563132335 /nfs/dbraw/zinc/13/23/35/563132335.db2.gz YJLOLSDWRBWJAG-UHFFFAOYSA-N 0 0 430.489 5.373 1 0 IKAFRN CC(C)c1nc2c(cccc2Cl)n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000045352262 563132337 /nfs/dbraw/zinc/13/23/37/563132337.db2.gz QIEBJBNGMINXIF-UHFFFAOYSA-N 0 0 440.952 5.998 1 0 IKAFRN COc1cc(-c2nc3ccccc3s2)ccc1Nc1ncnc2cc(OC)c(OC)cc21 ZINC000045354372 563132398 /nfs/dbraw/zinc/13/23/98/563132398.db2.gz HPJSNEQIUZAEBL-UHFFFAOYSA-N 0 0 444.516 5.676 1 0 IKAFRN Fc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2)cc1F ZINC000045353236 563132414 /nfs/dbraw/zinc/13/24/14/563132414.db2.gz DZOXGRZPPMWLSR-MZNJEOGPSA-N 0 0 432.341 7.472 1 0 IKAFRN CC(=O)Nc1ccc(OC(=O)c2ccc(Nc3ccnc(C(F)(F)F)c3)c(C)c2)cc1 ZINC000045355743 563132638 /nfs/dbraw/zinc/13/26/38/563132638.db2.gz YSCJZJPYACVLEA-UHFFFAOYSA-N 0 0 429.398 5.330 1 0 IKAFRN Cc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cccc1Oc1cccc2[nH]c(=O)[nH]c21 ZINC000045358389 563132903 /nfs/dbraw/zinc/13/29/03/563132903.db2.gz OKLYULRKCDNCCF-UHFFFAOYSA-N 0 0 443.381 5.108 1 0 IKAFRN Cc1nc2ccccc2n1C[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000045368570 563133259 /nfs/dbraw/zinc/13/32/59/563133259.db2.gz CKQNYOZESJFGOP-QGZVFWFLSA-N 0 0 439.359 5.664 1 0 IKAFRN CC(C)(C)c1ccc(C(=O)N2CCCn3cccc3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000045371660 563133460 /nfs/dbraw/zinc/13/34/60/563133460.db2.gz VSYNPBFPJHNHDO-AREMUKBSSA-N 0 0 428.620 6.719 1 0 IKAFRN CC[C@@H](c1nc2cc(Cl)ccc2c(=O)n1CC)N(CC)C(=O)c1ccc2ccccc2c1 ZINC000045374228 563133548 /nfs/dbraw/zinc/13/35/48/563133548.db2.gz RUUXCYZLGPXBQY-QHCPKHFHSA-N 0 0 447.966 5.836 1 0 IKAFRN CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1ccccc1 ZINC000045386625 563133932 /nfs/dbraw/zinc/13/39/32/563133932.db2.gz JTKQKLFQURVXET-UHFFFAOYSA-N 0 0 441.552 6.900 1 0 IKAFRN O=C(CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC000045391269 563134101 /nfs/dbraw/zinc/13/41/01/563134101.db2.gz OOAQCUJVRKPEEO-UHFFFAOYSA-N 0 0 438.755 5.136 1 0 IKAFRN O=C(c1cccc2ccccc21)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 ZINC000045497427 563134516 /nfs/dbraw/zinc/13/45/16/563134516.db2.gz SHLSRXBVKHESGD-UHFFFAOYSA-N 0 0 449.978 5.864 1 0 IKAFRN Cc1c(-c2nnc(C(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000045497665 563134622 /nfs/dbraw/zinc/13/46/22/563134622.db2.gz XBLIMDBQZCDRMM-UHFFFAOYSA-N 0 0 447.753 6.981 1 0 IKAFRN CC(C)CCc1cc(N(CC(C)C)C(=O)OC(C)(C)C)nc(NCc2ccccc2)n1 ZINC000045505921 563134791 /nfs/dbraw/zinc/13/47/91/563134791.db2.gz FLEBDVOLUOGXBM-UHFFFAOYSA-N 0 0 426.605 6.075 1 0 IKAFRN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)N(C(=O)NC1CCCCC1)CC2 ZINC000045506630 563134932 /nfs/dbraw/zinc/13/49/32/563134932.db2.gz CTZCWTMPVOXSQA-HSZRJFAPSA-N 0 0 428.960 5.347 1 0 IKAFRN O=C(CSC(=O)N1CCCc2cc(Cl)cc(Cl)c21)Nc1ccccc1Cl ZINC000048999999 563135201 /nfs/dbraw/zinc/13/52/01/563135201.db2.gz NTUKAXBBRWLMRL-UHFFFAOYSA-N 0 0 429.756 5.891 1 0 IKAFRN CCCCC/C=C\CC[C@H](O)CCCCCCCc1nnc(Nc2ccccc2)s1 ZINC000048999866 563135206 /nfs/dbraw/zinc/13/52/06/563135206.db2.gz TYNMPXAJDGQJST-SJEJWHSFSA-N 0 0 429.674 7.442 1 0 IKAFRN NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Br)n2CC1CCCCC1 ZINC000049021264 563135666 /nfs/dbraw/zinc/13/56/66/563135666.db2.gz UBIQOOYKDVAQFG-UHFFFAOYSA-N 0 0 441.373 5.090 1 0 IKAFRN O=C(Nc1ccccc1)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1 ZINC000049021946 563135744 /nfs/dbraw/zinc/13/57/44/563135744.db2.gz JJHHLCYLWFYZQF-UHFFFAOYSA-N 0 0 435.491 5.047 1 0 IKAFRN Cc1cccc(NC(=O)Nc2cccc(-c3cn4ccnc4c(NCc4ccncc4)n3)c2)c1 ZINC000049032966 563135940 /nfs/dbraw/zinc/13/59/40/563135940.db2.gz ZWQJXXDUCZISDN-UHFFFAOYSA-N 0 0 449.518 5.356 1 0 IKAFRN c1n[nH]cc1-c1cc2sc([C@@H]3COc4ccccc4C3)nc2c(OCC[C@H]2CCOC2)c1 ZINC000049033649 563136066 /nfs/dbraw/zinc/13/60/66/563136066.db2.gz ZHSQTINQSPGGQO-APWZRJJASA-N 0 0 447.560 5.211 1 0 IKAFRN c1n[nH]cc1-c1cc2sc([C@H]3COc4ccccc4C3)nc2c(OCC[C@@H]2CCOC2)c1 ZINC000049033647 563136075 /nfs/dbraw/zinc/13/60/75/563136075.db2.gz ZHSQTINQSPGGQO-QFBILLFUSA-N 0 0 447.560 5.211 1 0 IKAFRN Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCC(C)CC4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049035795 563136358 /nfs/dbraw/zinc/13/63/58/563136358.db2.gz UKYBIZRBNHPETF-UHFFFAOYSA-N 0 0 438.925 5.954 1 0 IKAFRN COc1ccc2cc(-c3ccc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)cc3OC)ccc2c1 ZINC000049036505 563136461 /nfs/dbraw/zinc/13/64/61/563136461.db2.gz LBLIPVGWOHKGGK-RNWIMVQKSA-N 0 0 443.587 6.565 1 0 IKAFRN CCCN(Cc1ccccc1)C(=O)c1c(C)nc2n1CCCN2c1c(C)cc(C)cc1C ZINC000049047362 563136663 /nfs/dbraw/zinc/13/66/63/563136663.db2.gz BAASZDMCYFWYFM-UHFFFAOYSA-N 0 0 430.596 5.711 1 0 IKAFRN CC(C)Cc1ccc([C@H](C)C(=O)OCc2ccc(OC(=O)OCCC(C)(C)C)cc2)cc1 ZINC000049050080 563136777 /nfs/dbraw/zinc/13/67/77/563136777.db2.gz LXBFPRSQOWRVRJ-FQEVSTJZSA-N 0 0 440.580 6.684 1 0 IKAFRN O=C(NC1CCCCC1)N1CCN([C@H](c2ccccc2)c2cc(Cl)ccc2Cl)CC1 ZINC000049050990 563136872 /nfs/dbraw/zinc/13/68/72/563136872.db2.gz CYXNIKYYBOULLS-HSZRJFAPSA-N 0 0 446.422 5.743 1 0 IKAFRN O=C(NC1CCCCC1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2F)CC1 ZINC000049051560 563136991 /nfs/dbraw/zinc/13/69/91/563136991.db2.gz NXJUHCGSLXWNDQ-HSZRJFAPSA-N 0 0 429.967 5.228 1 0 in-vitro IKAFRN CC(C)=CCC/C(C)=C/COc1ccc([C@@H]2C[C@@H]2c2nnc3c4ccccc4cnn32)cc1 ZINC000049055683 563137178 /nfs/dbraw/zinc/13/71/78/563137178.db2.gz MADGMSSACSBJDO-DJCCSWQUSA-N 0 0 438.575 6.620 1 0 IKAFRN CC(C)(C)OC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccc(O)c2ncccc12 ZINC000049067661 563137345 /nfs/dbraw/zinc/13/73/45/563137345.db2.gz FMEQNIVQWKPUPL-UHFFFAOYSA-N 0 0 432.442 5.897 1 0 IKAFRN COC(=O)c1cnc(NC(=O)[C@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)s1 ZINC000049068722 563137537 /nfs/dbraw/zinc/13/75/37/563137537.db2.gz GMIBWKKQKNUQRZ-CYBMUJFWSA-N 0 0 427.353 5.539 1 0 IKAFRN O=C(Nc1ccccc1)c1cccnc1Nc1ccc(Oc2ccnc3[nH]ccc32)c(F)c1 ZINC000049088352 563138036 /nfs/dbraw/zinc/13/80/36/563138036.db2.gz PNHRJBVGFACIOV-UHFFFAOYSA-N 0 0 439.450 5.885 1 0 IKAFRN CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@]2(C)CC1 ZINC000049111469 563138214 /nfs/dbraw/zinc/13/82/14/563138214.db2.gz ZQDROJRMNNOBCZ-OGSUCJMTSA-N 0 0 426.729 8.169 1 0 IKAFRN O=C(NCc1ccc(C(F)(F)F)nc1Oc1ccccc1)Nc1cccc2n[nH]cc21 ZINC000049112241 563138312 /nfs/dbraw/zinc/13/83/12/563138312.db2.gz ZRNLGEOJZRGZBV-UHFFFAOYSA-N 0 0 427.386 5.091 1 0 IKAFRN O=C(Nc1ccc(Cl)nc1)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 ZINC000049112916 563138408 /nfs/dbraw/zinc/13/84/08/563138408.db2.gz ATQYMQDBHTYEPU-UHFFFAOYSA-N 0 0 427.266 5.633 1 0 IKAFRN Cc1nc2c(cccc2C(F)(F)F)nc1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1 ZINC000049113120 563138449 /nfs/dbraw/zinc/13/84/49/563138449.db2.gz WIRCIXPAVYMAMG-UHFFFAOYSA-N 0 0 442.462 5.695 1 0 IKAFRN COCCOc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@]4(CCC(C)(C)C(=O)O4)[C@@]3(C)CC[C@H]21 ZINC000049113189 563138511 /nfs/dbraw/zinc/13/85/11/563138511.db2.gz IAGAIIGHFGJGMK-VJBPQSTDSA-N 0 0 426.597 5.670 1 0 IKAFRN CCCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1 ZINC000049113667 563138603 /nfs/dbraw/zinc/13/86/03/563138603.db2.gz MFVREGCSTSILCV-UHFFFAOYSA-N 0 0 445.994 7.070 1 0 IKAFRN FC(F)(F)c1ccc(Nc2ccnc3cc(-c4ncccc4C(F)(F)F)ccc32)nc1 ZINC000049113978 563138618 /nfs/dbraw/zinc/13/86/18/563138618.db2.gz ZZFNGMUTCXRSSB-UHFFFAOYSA-N 0 0 434.343 6.473 1 0 IKAFRN Cc1cc(OC[P@@]2(=O)OCC[C@@H](c3ccncc3)O2)c2c(c1C)Cc1scnc1-2 ZINC000049115877 563138733 /nfs/dbraw/zinc/13/87/33/563138733.db2.gz VIYHZEAFVCWOMU-YMGMXPECSA-N 0 0 428.450 5.434 1 0 IKAFRN CCO[P@@]1(=O)OC(c2ccc(CC)cc2)=C(Br)c2ccc(Cl)cc21 ZINC000049784419 563139623 /nfs/dbraw/zinc/13/96/23/563139623.db2.gz INOFJEYMWHEZRW-XMMPIXPASA-N 0 0 427.662 6.008 1 0 IKAFRN Cc1ccc2sc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)cc2c1 ZINC000049785745 563139766 /nfs/dbraw/zinc/13/97/66/563139766.db2.gz ROCCXTVQIHMEEO-UHFFFAOYSA-N 0 0 448.548 6.392 1 0 IKAFRN Clc1cccc([C@H]2ON=C(c3ccc(C4=NO[C@H](c5cccc(Cl)c5)O4)cc3)O2)c1 ZINC000049785790 563139815 /nfs/dbraw/zinc/13/98/15/563139815.db2.gz HZSYZNGBGKVKSW-FGZHOGPDSA-N 0 0 441.270 5.808 1 0 IKAFRN CCN(CC)C(=S)S[C@@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000049803128 563139996 /nfs/dbraw/zinc/13/99/96/563139996.db2.gz CMBQOVVNKYPLES-IBGZPJMESA-N 0 0 436.440 6.123 1 0 IKAFRN COc1ccc(C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@]3(C)NC(=O)CC[C@@H]43)C2)cc1 ZINC000049807863 563140254 /nfs/dbraw/zinc/14/02/54/563140254.db2.gz CTAOIJRITAWVMB-SXUTZIHKSA-N 0 0 437.580 5.052 1 0 IKAFRN 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563145801 /nfs/dbraw/zinc/14/58/01/563145801.db2.gz BTROPBUITBKPQC-OAQYLSRUSA-N 0 0 439.302 5.146 1 0 IKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2C(=O)N1CCCCc2ccccc21 ZINC000058623027 563145897 /nfs/dbraw/zinc/14/58/97/563145897.db2.gz SJNCHOWFWAZDQC-GGIZDREOSA-N 0 0 446.635 5.269 1 0 IKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2C(=O)Nc1cccc(Cl)c1 ZINC000058689972 563146054 /nfs/dbraw/zinc/14/60/54/563146054.db2.gz RNMGUTOEDMXVAX-RKRMHJIESA-N 0 0 426.988 5.192 1 0 IKAFRN CC(C)CCNC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccccc4Cl)cc3)nc2c1 ZINC000059032051 563146056 /nfs/dbraw/zinc/14/60/56/563146056.db2.gz DHNZHCARDAQLDB-UHFFFAOYSA-N 0 0 433.939 6.452 1 0 IKAFRN Clc1ccccc1COc1c2cnc3ccccc3c2nn1-c1ccc2c(c1)OCO2 ZINC000059024502 563146059 /nfs/dbraw/zinc/14/60/59/563146059.db2.gz RMPSDPZBGHYHQZ-UHFFFAOYSA-N 0 0 429.863 5.535 1 0 IKAFRN CCCOP(=O)(OCCC)[C@@H](NC(=S)N[C@H](C)C1CCCCC1)c1ccccc1 ZINC000059130230 563146220 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5.414 3 0 IKAFRN C[C@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C(=O)Cc1cccc2ccccc21 ZINC000061896015 563147259 /nfs/dbraw/zinc/14/72/59/563147259.db2.gz LQWXGTMMBFURDA-HSZRJFAPSA-N 0 0 427.331 5.319 3 0 IKAFRN C[C@@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C(=O)Cc1cccc2ccccc21 ZINC000061896016 563147274 /nfs/dbraw/zinc/14/72/74/563147274.db2.gz LQWXGTMMBFURDA-QHCPKHFHSA-N 0 0 427.331 5.319 3 0 IKAFRN Cc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)c2ccccc2CCc2ccccc2)cc1C ZINC000061896083 563147324 /nfs/dbraw/zinc/14/73/24/563147324.db2.gz JPFNBELKHQKIHS-MUUNZHRXSA-N 0 0 426.560 5.332 3 0 IKAFRN O=C(Nc1cccc2c1CCCC2)c1cc([C@H]2CCCCN2C(=O)c2cccs2)on1 ZINC000061896149 563147347 /nfs/dbraw/zinc/14/73/47/563147347.db2.gz YEZZORCBYQECEP-HXUWFJFHSA-N 0 0 435.549 5.235 3 0 IKAFRN C[C@]1(Cc2ccc(C(F)(F)F)o2)C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cc21 ZINC000061896518 563147426 /nfs/dbraw/zinc/14/74/26/563147426.db2.gz FFQUTICDHROJDA-HXUWFJFHSA-N 0 0 439.355 6.437 3 0 IKAFRN CCc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C)C(=O)c1ccco1 ZINC000061896633 563147435 /nfs/dbraw/zinc/14/74/35/563147435.db2.gz POPVYVAHFHITEX-UHFFFAOYSA-N 0 0 443.425 5.364 3 0 IKAFRN COc1ccc(-c2ccc(C(=O)Nc3cccc(Oc4ccccc4)c3)c3occc32)c(C)c1 ZINC000061896971 563147512 /nfs/dbraw/zinc/14/75/12/563147512.db2.gz JUEIKRIYGRIYSY-UHFFFAOYSA-N 0 0 449.506 7.461 3 0 IKAFRN O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1Cc2c(nccc2-c2ccc(Cl)cc2)O1 ZINC000061898805 563147673 /nfs/dbraw/zinc/14/76/73/563147673.db2.gz STCWLFKMSGQUBK-SFHVURJKSA-N 0 0 434.801 5.243 3 0 IKAFRN C[C@]1(C(=O)NCc2ccc(F)c(F)c2)Cc2c(nccc2-c2cccc(C(F)(F)F)c2)O1 ZINC000061898376 563147703 /nfs/dbraw/zinc/14/77/03/563147703.db2.gz WBAYZKXGMORBGA-JOCHJYFZSA-N 0 0 448.391 5.056 3 0 IKAFRN CCc1nc2c(OCCC3CCCCC3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061903279 563147953 /nfs/dbraw/zinc/14/79/53/563147953.db2.gz FTZMFCIDHZGBNS-UHFFFAOYSA-N 0 0 435.568 5.531 3 0 IKAFRN O=C(Nc1cccc(Oc2ccccc2)c1)[C@H]1Cc2c(nccc2-c2cccc(F)c2)O1 ZINC000061904241 563148099 /nfs/dbraw/zinc/14/80/99/563148099.db2.gz HUVINTSDMKPDPU-XMMPIXPASA-N 0 0 426.447 5.622 3 0 IKAFRN O=C(NCc1cccs1)[C@@H]1Cc2c(nccc2-c2ccccc2Oc2ccccc2)O1 ZINC000061905346 563148302 /nfs/dbraw/zinc/14/83/02/563148302.db2.gz INNWJTVPEWIPKH-QHCPKHFHSA-N 0 0 428.513 5.222 3 0 IKAFRN Cc1nc2c(OCc3ccc(Cl)cc3Cl)cccn2c1N(C)Cc1cccs1 ZINC000061905547 563148397 /nfs/dbraw/zinc/14/83/97/563148397.db2.gz HRASQPWXNQDYNI-UHFFFAOYSA-N 0 0 432.376 6.226 3 0 IKAFRN COc1cccc(CN2CC[C@@]2(C)C(=O)Nc2cccc(Oc3ccccc3)c2)c1OC ZINC000061906664 563148650 /nfs/dbraw/zinc/14/86/50/563148650.db2.gz PJYDZLVKEUNOOV-SANMLTNESA-N 0 0 432.520 5.099 3 0 IKAFRN C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000061907447 563148808 /nfs/dbraw/zinc/14/88/08/563148808.db2.gz QCNKYRIHBCWEJW-LJAQVGFWSA-N 0 0 449.554 5.387 3 0 IKAFRN CSc1ccccc1NC(=O)[C@]1(C)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000061925690 563149742 /nfs/dbraw/zinc/14/97/42/563149742.db2.gz JVZGKKXBPCTBPM-SANMLTNESA-N 0 0 430.573 5.248 3 0 IKAFRN CCc1nc2c(OCc3ccccc3)cccn2c1N(C)C(=O)Nc1ccccc1OC ZINC000061927494 563150205 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COc1cc(C[C@H]2c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)cc(OC)c1OC ZINC000064274635 563152598 /nfs/dbraw/zinc/15/25/98/563152598.db2.gz NIPCPZVPIZHADP-INIZCTEOSA-N 0 0 443.326 5.938 1 0 IKAFRN CC1=C(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](c2ccco2)n2c(nc3ccccc32)N1 ZINC000064448312 563153405 /nfs/dbraw/zinc/15/34/05/563153405.db2.gz DYZDFOVDEVYGGO-FQEVSTJZSA-N 0 0 438.409 5.576 1 0 IKAFRN c1c2ccccc2oc1-c1nn(-c2ccccc2)cc1[C@@H]1CC(c2cc3ccccc3o2)=NN1 ZINC000064453823 563153558 /nfs/dbraw/zinc/15/35/58/563153558.db2.gz HNYSGZDSGJABIS-QFIPXVFZSA-N 0 0 444.494 6.470 1 0 IKAFRN CCOC(=O)C1=C(N)Oc2ccc(Sc3nc4ccccc4[nH]3)cc2[C@H]1c1cccs1 ZINC000064454220 563153578 /nfs/dbraw/zinc/15/35/78/563153578.db2.gz TVKJXWISUMRIGU-IBGZPJMESA-N 0 0 449.557 5.033 1 0 IKAFRN COc1cc2nccc(Oc3ccc4c(cccc4C(=O)NC4CC4)c3)c2cc1C(C)=O ZINC000064503998 563153957 /nfs/dbraw/zinc/15/39/57/563153957.db2.gz ZEKKSESXTGQCDK-UHFFFAOYSA-N 0 0 426.472 5.284 1 0 IKAFRN CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)c3ccc(C)c(F)c3)c2)[nH]1 ZINC000064513074 563154084 /nfs/dbraw/zinc/15/40/84/563154084.db2.gz ZNYUDLLUWJNBHW-UHFFFAOYSA-N 0 0 436.487 5.700 1 0 IKAFRN Cc1ccc2c(cccc2NC[C@](O)(CC(C)(C)c2cc(F)ccc2O)C(F)(F)F)n1 ZINC000064527223 563154475 /nfs/dbraw/zinc/15/44/75/563154475.db2.gz REEPFLFXEYDSCM-JOCHJYFZSA-N 0 0 436.449 5.461 1 0 IKAFRN Fc1cccc(-c2ccccc2)c1Nc1nc(Cl)nc(NCc2ccc3occc3c2)n1 ZINC000064528444 563154884 /nfs/dbraw/zinc/15/48/84/563154884.db2.gz SPXNACLKEBXSPI-UHFFFAOYSA-N 0 0 445.885 6.433 1 0 IKAFRN Cc1ccccc1CCOc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1 ZINC000064540166 563155251 /nfs/dbraw/zinc/15/52/51/563155251.db2.gz LQPUAWYJYKDELL-UHFFFAOYSA-N 0 0 447.534 6.013 1 0 IKAFRN COc1cc(OC)c([C@H](CC(=O)c2ccc(Cl)cc2)c2c[nH]c3ccccc32)cc1OC ZINC000064540228 563155274 /nfs/dbraw/zinc/15/52/74/563155274.db2.gz SZNIHHWTGVNPIN-IBGZPJMESA-N 0 0 449.934 6.252 1 0 IKAFRN Cc1ccccc1COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1 ZINC000064548341 563155402 /nfs/dbraw/zinc/15/54/02/563155402.db2.gz ZWSGEPOOZIGUJW-UHFFFAOYSA-N 0 0 433.507 5.971 1 0 IKAFRN CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC[C@@H](O)C[C@@H]32)SCCS1 ZINC000064549187 563155604 /nfs/dbraw/zinc/15/56/04/563155604.db2.gz BNDLXLKMHFSKCI-GUDVDZBRSA-N 0 0 436.683 6.411 1 0 IKAFRN CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C[C@H]1O ZINC000064549829 563155690 /nfs/dbraw/zinc/15/56/90/563155690.db2.gz WQNQRPYWNWXABT-BSMCXZHXSA-N 0 0 446.716 7.010 1 0 IKAFRN FC(F)(F)c1cccc(Nc2ncnc3c2CCN(c2ncccc2C(F)(F)F)C3)c1 ZINC000064549799 563155715 /nfs/dbraw/zinc/15/57/15/563155715.db2.gz JWQSRYCSYMQUQO-UHFFFAOYSA-N 0 0 439.363 5.216 1 0 IKAFRN C[C@@H](Nc1nc2cc[nH]c(=O)c2cc1-c1ccc(F)cc1)c1cc(F)c(Cl)cc1Cl ZINC000064559453 563156011 /nfs/dbraw/zinc/15/60/11/563156011.db2.gz WBSBRCJNWZWMFW-LLVKDONJSA-N 0 0 446.284 6.348 1 0 IKAFRN CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)n1 ZINC000064564417 563156267 /nfs/dbraw/zinc/15/62/67/563156267.db2.gz PZVIQPBSJBPATG-UHFFFAOYSA-N 0 0 445.910 5.587 1 0 IKAFRN CC(C)=C[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 ZINC000066065896 563156999 /nfs/dbraw/zinc/15/69/99/563156999.db2.gz WAGHSYJXJAHWPX-LLUYJYKPSA-N 0 0 438.696 7.532 1 0 in-vitro IKAFRN CC[C@H](NC(=O)c1c2cccc(F)c2nc(-c2ccccc2)c1[S@@](C)=O)c1ccccc1 ZINC000066066674 563157201 /nfs/dbraw/zinc/15/72/01/563157201.db2.gz GLZIAHGQHCQKEZ-MNAQKMTRSA-N 0 0 446.547 5.659 1 0 IKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4C(C)(C)C(=O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]12C ZINC000066066570 563157213 /nfs/dbraw/zinc/15/72/13/563157213.db2.gz FEAAYJYTVFABGY-UHNHVWPPSA-N 0 0 442.728 7.594 1 0 in-vitro IKAFRN CC(C)(C)C(=O)O[C@H]1CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1 ZINC000066075552 563157378 /nfs/dbraw/zinc/15/73/78/563157378.db2.gz DHHKSLVEYZZKCA-HXUWFJFHSA-N 0 0 430.426 5.689 1 0 IKAFRN Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cccs4)nc4ccccc43)CC2)cc1 ZINC000066075418 563157385 /nfs/dbraw/zinc/15/73/85/563157385.db2.gz DRWJEBYYLNQWBZ-UHFFFAOYSA-N 0 0 449.601 5.235 1 0 IKAFRN Clc1ccc(-n2nc3c(cnc4c3CCCCC4)c2OCc2ccccc2Cl)cc1 ZINC000066075964 563157476 /nfs/dbraw/zinc/15/74/76/563157476.db2.gz ARBXYFIBGCCVTN-UHFFFAOYSA-N 0 0 438.358 6.575 1 0 IKAFRN COc1ccc(Cl)cc1CCOc1cc(C)cc(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000066077608 563157675 /nfs/dbraw/zinc/15/76/75/563157675.db2.gz GYUCYXNOZKZDRU-UHFFFAOYSA-N 0 0 432.004 6.033 1 0 IKAFRN Cc1cccc(Cc2ccc3sc(-c4ccc(C[NH+]5CC(C(=O)[O-])C5)cc4F)nc3c2)c1 ZINC000066098221 563157999 /nfs/dbraw/zinc/15/79/99/563157999.db2.gz TWSQVUDENPEVHA-UHFFFAOYSA-N 0 0 446.547 5.518 1 0 IKAFRN O=C(OCCc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1cccs1 ZINC000066099516 563158081 /nfs/dbraw/zinc/15/80/81/563158081.db2.gz VZTLILHBEZDCOZ-UHFFFAOYSA-N 0 0 444.339 5.963 1 0 IKAFRN Cc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)NCC(F)(F)F)ccc3n2C[C@H](C)O)c1 ZINC000066099834 563158089 /nfs/dbraw/zinc/15/80/89/563158089.db2.gz PNBVISXDLMVWAF-KRWDZBQOSA-N 0 0 446.513 5.262 1 0 IKAFRN FC(F)(F)c1ccccc1-c1cc2[nH]c(C3=NOC4(C3)CCOCC4)nc2c(Cl)c1 ZINC000066099321 563158124 /nfs/dbraw/zinc/15/81/24/563158124.db2.gz HLMKJRBWLAKJSU-UHFFFAOYSA-N 0 0 435.833 5.576 1 0 IKAFRN CC(C)(C)N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(Cl)c(Cl)c3)N2C1=O ZINC000066101149 563158316 /nfs/dbraw/zinc/15/83/16/563158316.db2.gz MBKPBFCCOYUWQK-ICSRJNTNSA-N 0 0 442.346 5.552 1 0 IKAFRN CC[C@]1(c2ccc(CSc3ccccn3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111877 563158895 /nfs/dbraw/zinc/15/88/95/563158895.db2.gz ATWMZVGCWYNJFV-AREMUKBSSA-N 0 0 426.541 6.045 1 0 IKAFRN O=c1cc([C@@H](c2ccc(Cl)cc2)n2ccnc2)c2ccc(Oc3ccccc3)cc2o1 ZINC000066111895 563158906 /nfs/dbraw/zinc/15/89/06/563158906.db2.gz OUIPCNQCTPOAKI-RUZDIDTESA-N 0 0 428.875 6.073 1 0 IKAFRN O=c1cc([C@@H](c2ccccc2)n2ccnc2)c2ccc(Oc3ccc(F)c(F)c3)cc2o1 ZINC000066111894 563158912 /nfs/dbraw/zinc/15/89/12/563158912.db2.gz SBRYQYVWUVLSED-RUZDIDTESA-N 0 0 430.410 5.698 1 0 IKAFRN CC[C@@]1(c2ccc(CSc3cnccn3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111880 563158920 /nfs/dbraw/zinc/15/89/20/563158920.db2.gz VAOKGCACZOTKOH-VWLOTQADSA-N 0 0 427.529 5.440 1 0 IKAFRN O=c1cc([C@H](c2ccccc2)n2ccnc2)c2ccc(Oc3ccc(F)c(F)c3)cc2o1 ZINC000066111893 563158932 /nfs/dbraw/zinc/15/89/32/563158932.db2.gz SBRYQYVWUVLSED-VWLOTQADSA-N 0 0 430.410 5.698 1 0 IKAFRN O=C1c2cccn2-c2ccccc2O[C@H]1c1ccc(CSc2ccccc2Cl)cc1 ZINC000066112808 563159105 /nfs/dbraw/zinc/15/91/05/563159105.db2.gz CFRSAGHGLRIOIS-VWLOTQADSA-N 0 0 431.944 6.739 1 0 IKAFRN O=C(OCCc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccccc1 ZINC000066113454 563159183 /nfs/dbraw/zinc/15/91/83/563159183.db2.gz BQGCNJGBZBGQTC-UHFFFAOYSA-N 0 0 438.310 5.901 1 0 IKAFRN CCC(CC)(NC(=O)c1cnn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(F)cc1 ZINC000066122891 563159263 /nfs/dbraw/zinc/15/92/63/563159263.db2.gz RENDLWLVEWQODR-JOCHJYFZSA-N 0 0 434.559 5.760 1 0 IKAFRN COc1ccc2c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)NC1CCCC1)C2=O ZINC000066136539 563159432 /nfs/dbraw/zinc/15/94/32/563159432.db2.gz CELDEWSNNCPJDH-RTWAWAEBSA-N 0 0 449.425 5.068 1 0 IKAFRN CC[C@@]1(c2ccc(CSc3ncccn3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066128764 563159441 /nfs/dbraw/zinc/15/94/41/563159441.db2.gz DEABWPDDGVSDSZ-VWLOTQADSA-N 0 0 427.529 5.440 1 0 IKAFRN CC1=CC[C@H](COc2ccccc2)O[C@]2(C1)c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000066136662 563159526 /nfs/dbraw/zinc/15/95/26/563159526.db2.gz ZQIJUFOQOUADII-UFHPHHKVSA-N 0 0 443.518 5.772 1 0 IKAFRN COc1cc2ncnc(N3CCC[C@@H](c4ccccc4)C3)c2cc1OCCc1ccccn1 ZINC000066167124 563159789 /nfs/dbraw/zinc/15/97/89/563159789.db2.gz DWBBOQWADWMQGE-OAQYLSRUSA-N 0 0 440.547 5.039 1 0 in-vitro IKAFRN COc1ccc(-c2c3ccccc3sc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000066251690 563160014 /nfs/dbraw/zinc/16/00/14/563160014.db2.gz OIHGIZOHVBFWEW-UHFFFAOYSA-N 0 0 448.540 6.142 1 0 IKAFRN CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 ZINC000066252492 563160142 /nfs/dbraw/zinc/16/01/42/563160142.db2.gz OQCIVVIWXFKWDZ-UHFFFAOYSA-N 0 0 432.608 5.652 1 0 IKAFRN CCCCCn1cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 ZINC000066252654 563160197 /nfs/dbraw/zinc/16/01/97/563160197.db2.gz XVGJQASFRRXJNE-BITABPLHSA-N 0 0 446.635 6.040 1 0 IKAFRN O=C(NC1CCCCC1)[C@@H](c1ccncc1)n1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000066258464 563160247 /nfs/dbraw/zinc/16/02/47/563160247.db2.gz ASRJHSMONZVNTD-XMMPIXPASA-N 0 0 444.966 5.790 1 0 IKAFRN O=C(Nc1ccccc1)[C@@H](C1CCCCC1)n1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000066258465 563160269 /nfs/dbraw/zinc/16/02/69/563160269.db2.gz BEJFABDZKKNSMC-RUZDIDTESA-N 0 0 443.978 7.117 1 0 IKAFRN O=C(Nc1ccccc1)[C@H](C1CCCCC1)n1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000066258466 563160273 /nfs/dbraw/zinc/16/02/73/563160273.db2.gz BEJFABDZKKNSMC-VWLOTQADSA-N 0 0 443.978 7.117 1 0 IKAFRN O=C([O-])[C@@H]1CCC[N@H+](CC/C=C(/c2ccccc2F)c2ccccc2OC(F)(F)F)C1 ZINC000066258570 563160277 /nfs/dbraw/zinc/16/02/77/563160277.db2.gz SQIPXGAJYDVRLC-FNTDYBJHSA-N 0 0 437.433 5.343 1 0 IKAFRN CCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 ZINC000066259846 563160657 /nfs/dbraw/zinc/16/06/57/563160657.db2.gz KDTHTYYXAAWQAB-UHFFFAOYSA-N 0 0 432.608 5.794 1 0 IKAFRN CCCCCC[C@@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C ZINC000066259941 563160723 /nfs/dbraw/zinc/16/07/23/563160723.db2.gz DOQRGXMYBKLLBR-MRXNPFEDSA-N 0 0 447.410 6.367 1 0 IKAFRN CC(C)(O)c1ccc(-c2nc(-c3ccc(F)cc3)oc2Sc2ccc(Cl)cn2)cn1 ZINC000068198918 563161153 /nfs/dbraw/zinc/16/11/53/563161153.db2.gz DBZMCSVIITXLCC-UHFFFAOYSA-N 0 0 441.915 5.970 1 0 IKAFRN O=c1c2ccccc2sn1[C@@H](Cc1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000068205593 563161193 /nfs/dbraw/zinc/16/11/93/563161193.db2.gz WBLYUHDURWSSDA-IBGZPJMESA-N 0 0 433.920 5.599 1 0 IKAFRN COc1cc(/C=C2\CCCN3CC[C@@H](c4ccc(F)cc4)ON=C23)ccc1-n1cnc(C)c1 ZINC000068205881 563161231 /nfs/dbraw/zinc/16/12/31/563161231.db2.gz RCGSXNNEINRPEU-ZBXXMNEPSA-N 0 0 446.526 5.283 1 0 IKAFRN O=C(Nc1nocc1Cl)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000068209119 563161289 /nfs/dbraw/zinc/16/12/89/563161289.db2.gz SLWUKAWTWWPUQI-UHFFFAOYSA-N 0 0 447.322 5.123 1 0 IKAFRN COC(=O)c1cccc(-c2cnc(C(=O)[C@H]3CCc4cc(-c5ccccc5)ccc4C3)o2)n1 ZINC000071316247 563161942 /nfs/dbraw/zinc/16/19/42/563161942.db2.gz XCJYQTBTCKPUDK-NRFANRHFSA-N 0 0 438.483 5.178 1 0 IKAFRN Cc1cccc(-c2nn(CCC(=O)Nc3ccccc3)cc2-c2ccc3ncccc3c2)n1 ZINC000071316191 563162006 /nfs/dbraw/zinc/16/20/06/563162006.db2.gz GUKOPIGVRWRYRF-UHFFFAOYSA-N 0 0 433.515 5.498 1 0 IKAFRN Cc1ccc2nc(-c3cccc(Br)c3)c(Cc3ccccc3C(F)(F)F)n2c1 ZINC000072104230 563162929 /nfs/dbraw/zinc/16/29/29/563162929.db2.gz BQPMHXRSZDGRMF-UHFFFAOYSA-N 0 0 445.282 6.682 3 0 IKAFRN COc1ccc(C(C)C)cc1CN1CCC(=O)[C@H](C(c2ccccc2)c2ccccc2)C1 ZINC000072106634 563163060 /nfs/dbraw/zinc/16/30/60/563163060.db2.gz GYEWGSQAACBKPX-AREMUKBSSA-N 0 0 427.588 6.042 1 0 IKAFRN CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@@]1(CC2)CC[C@H]2C[C@@H]1C2(C)C ZINC000072109258 563163253 /nfs/dbraw/zinc/16/32/53/563163253.db2.gz VWAJWZADDWGIBB-PGXOYOEPSA-N 0 0 442.596 6.075 1 0 IKAFRN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c(-c2c[nH]c3cccc(Br)c23)n1 ZINC000072109293 563163256 /nfs/dbraw/zinc/16/32/56/563163256.db2.gz BUKMKYKVQNZQIM-UHFFFAOYSA-N 0 0 433.231 5.655 1 0 IKAFRN CC(C)OC(=O)O[C@H](C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000072111998 563163414 /nfs/dbraw/zinc/16/34/14/563163414.db2.gz GVRRNBZCZFHVMU-OAHLLOKOSA-N 0 0 448.899 5.179 1 0 IKAFRN CCC(CC)Nc1c2c(nc3c(-c4ccc(OC(F)F)cc4Cl)c(C)nn31)CCC2 ZINC000072113281 563163550 /nfs/dbraw/zinc/16/35/50/563163550.db2.gz FGOBMMBNSOPRGB-UHFFFAOYSA-N 0 0 434.918 6.049 1 0 IKAFRN Cc1cc2nc(-c3cccc(Cl)c3)c(Cc3ccccc3)n2c(C)c1Br ZINC000072136583 563164157 /nfs/dbraw/zinc/16/41/57/563164157.db2.gz QBMAHUNVTNMLNK-UHFFFAOYSA-N 0 0 425.757 6.625 3 0 IKAFRN C[C@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000072136454 563164211 /nfs/dbraw/zinc/16/42/11/563164211.db2.gz WEPDOROMUPGPKS-YCRPNKLZSA-N 0 0 431.916 5.192 1 0 IKAFRN O=S1(=O)c2cccc(Cl)c2OC[C@@H](c2ccccc2)N1Cc1cccc(Cl)c1 ZINC000072138262 563164268 /nfs/dbraw/zinc/16/42/68/563164268.db2.gz QKSXUAPIBGAFGR-IBGZPJMESA-N 0 0 434.344 5.318 1 0 IKAFRN C[C@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000072138041 563164286 /nfs/dbraw/zinc/16/42/86/563164286.db2.gz FOBRNHAHAOUMFZ-BTYIYWSLSA-N 0 0 448.371 5.707 1 0 IKAFRN COc1ccccc1Cc1c(-c2ccc(Cl)cc2)nc2ccc(Br)cn21 ZINC000072138478 563164333 /nfs/dbraw/zinc/16/43/33/563164333.db2.gz JCBFKMMXOFJZKP-UHFFFAOYSA-N 0 0 427.729 6.017 3 0 IKAFRN COc1ccc(-c2nc3c(C)cc(Br)cn3c2CC2CCCCC2)cc1OC ZINC000072138526 563164388 /nfs/dbraw/zinc/16/43/88/563164388.db2.gz DCRJTZNGAUBQJM-UHFFFAOYSA-N 0 0 443.385 6.212 3 0 IKAFRN CC(C)CN1Cc2cc(Br)ccc2Oc2ccc(Cl)cc2S1(=O)=O ZINC000072138588 563164391 /nfs/dbraw/zinc/16/43/91/563164391.db2.gz VUOUJLSFWFFNLQ-UHFFFAOYSA-N 0 0 430.751 5.055 1 0 IKAFRN C[C@@H]1CN(C(=O)Nc2ccccc2Cl)CC[C@@H]1c1nc(-c2ccc3ccccc3n2)no1 ZINC000072142768 563164909 /nfs/dbraw/zinc/16/49/09/563164909.db2.gz BMMFFGHJPCJSJK-WBVHZDCISA-N 0 0 447.926 5.596 1 0 IKAFRN N#CN1[C@@H](c2ccccc2)[C@@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000072171843 563164944 /nfs/dbraw/zinc/16/49/44/563164944.db2.gz HYBASOOOYSQEOZ-QPDVFSJASA-N 0 0 428.535 6.402 1 0 IKAFRN O=NN1[C@H](c2ccccc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000072172167 563165013 /nfs/dbraw/zinc/16/50/13/563165013.db2.gz YOSWCGUILOMJQV-YVHASNINSA-N 0 0 432.523 6.603 1 0 IKAFRN COc1ccc(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1OC1CCCC1 ZINC000072173032 563165116 /nfs/dbraw/zinc/16/51/16/563165116.db2.gz LCVFUYGISZOSJE-UHFFFAOYSA-N 0 0 443.544 5.181 1 0 IKAFRN CC(=O)Nc1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccccc3Cl)sc1-2 ZINC000072175025 563165264 /nfs/dbraw/zinc/16/52/64/563165264.db2.gz RTUHEKLMDKJAQG-UHFFFAOYSA-N 0 0 426.925 5.238 1 0 in-vitro IKAFRN CC(C)(O)Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)c1nccs1 ZINC000072176103 563165597 /nfs/dbraw/zinc/16/55/97/563165597.db2.gz ZFWJHRHYLANHPY-FQEVSTJZSA-N 0 0 441.984 5.149 1 0 IKAFRN CCOC(=O)C(=CNc1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000072176884 563165755 /nfs/dbraw/zinc/16/57/55/563165755.db2.gz YCORGVHXONRDKY-RCCKNPSSSA-N 0 0 442.342 6.589 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@@H](c3ccc(F)cc3)[C@@H]1C2 ZINC000072177069 563165858 /nfs/dbraw/zinc/16/58/58/563165858.db2.gz KVNYHKNLTXXKRM-YKSBVNFPSA-N 0 0 449.457 5.147 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@H](c3ccccc3)[C@H]1C2 ZINC000072177055 563165884 /nfs/dbraw/zinc/16/58/84/563165884.db2.gz FUUKCJZUEZOAIJ-GBXCKJPGSA-N 0 0 431.467 5.008 1 0 IKAFRN CCC[C@@H](Cc1cc2cc(-c3ccccc3C)ccc2nc1N)C(=O)NCC1CCCCC1 ZINC000072177972 563166091 /nfs/dbraw/zinc/16/60/91/563166091.db2.gz KSRGIPYZQZCBMH-QHCPKHFHSA-N 0 0 443.635 6.448 1 0 IKAFRN c1ccc(CCCCNc2nc3ncccc3c(NCCCCc3ccccc3)n2)cc1 ZINC000072178744 563166391 /nfs/dbraw/zinc/16/63/91/563166391.db2.gz UMSIROGJMWEEMY-UHFFFAOYSA-N 0 0 425.580 5.894 1 0 IKAFRN Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(Cl)cc3)C2)cc1C ZINC000072179631 563166546 /nfs/dbraw/zinc/16/65/46/563166546.db2.gz YZVSCCMTUKESSP-VWLOTQADSA-N 0 0 444.003 7.436 1 0 IKAFRN CC(=O)c1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCCC(C)(C)C)cc2c1 ZINC000072179803 563166649 /nfs/dbraw/zinc/16/66/49/563166649.db2.gz SZARSNWHVAWQRF-QGZVFWFLSA-N 0 0 431.580 5.418 1 0 IKAFRN CC(=O)O[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]12 ZINC000072180317 563166857 /nfs/dbraw/zinc/16/68/57/563166857.db2.gz MMIBWYWPPODERI-NHGCSETBSA-N 0 0 444.700 6.930 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@@H](c3ccccc3)[C@H]1C2 ZINC000072180746 563166957 /nfs/dbraw/zinc/16/69/57/563166957.db2.gz HCDNUIFLRHNPOQ-LVXARBLLSA-N 0 0 441.531 5.486 1 0 IKAFRN C[C@@H]1C[C@H](c2nc(-c3ccc4ccccc4n3)no2)CCN1C(=O)Nc1ccccc1Cl ZINC000072180491 563166966 /nfs/dbraw/zinc/16/69/66/563166966.db2.gz TYOHMZNJKGNDTI-NVXWUHKLSA-N 0 0 447.926 5.738 1 0 IKAFRN Cc1nc2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000072181186 563167134 /nfs/dbraw/zinc/16/71/34/563167134.db2.gz KRATVDDKLSLZQX-HNNXBMFYSA-N 0 0 438.358 6.191 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072181629 563167243 /nfs/dbraw/zinc/16/72/43/563167243.db2.gz PWEPGGYALHELNW-UHFFFAOYSA-N 0 0 433.899 5.350 1 0 IKAFRN CC[C@@H](C)[C@@H](NCc1ccccc1OC)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072181457 563167246 /nfs/dbraw/zinc/16/72/46/563167246.db2.gz QUYHWFCDBBRAOW-QFQXNSOFSA-N 0 0 447.623 6.141 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@@H](c3ccccc3)[C@H]1C2 ZINC000072181863 563167307 /nfs/dbraw/zinc/16/73/07/563167307.db2.gz ROIQELCFETWEND-LVXARBLLSA-N 0 0 441.531 5.486 1 0 IKAFRN Cc1cccc(-c2c(-c3ccc4nc(C)c(C)nc4c3)cnn2CC(=O)Nc2ccccc2)n1 ZINC000072182087 563167330 /nfs/dbraw/zinc/16/73/30/563167330.db2.gz IJIXVMSMOISVCY-UHFFFAOYSA-N 0 0 448.530 5.119 1 0 IKAFRN COc1cc(-c2nc(CNC(c3ccccc3)c3ccccc3)co2)cc(OC)c1OC ZINC000072182264 563167410 /nfs/dbraw/zinc/16/74/10/563167410.db2.gz ZHRIBCIBEZNOPM-UHFFFAOYSA-N 0 0 430.504 5.247 1 0 IKAFRN O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccccc1Cl ZINC000072183153 563167577 /nfs/dbraw/zinc/16/75/77/563167577.db2.gz NGZBROVMEZFFKM-UHFFFAOYSA-N 0 0 442.824 6.933 1 0 IKAFRN Clc1cccc(N2CCN(Cc3coc(-c4ccc(Br)cc4)n3)CC2)c1 ZINC000072183738 563167672 /nfs/dbraw/zinc/16/76/72/563167672.db2.gz RFAARAMYFNXWPT-UHFFFAOYSA-N 0 0 432.749 5.080 1 0 IKAFRN CC[C@@H](C)[C@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072184255 563167796 /nfs/dbraw/zinc/16/77/96/563167796.db2.gz XLYFKUYOYSCHFH-XXBNENTESA-N 0 0 435.568 5.064 1 0 IKAFRN CC(C)c1ccc(NC(=O)N2CCN([C@H](c3ccc(Cl)cc3)c3cncnc3)CC2)cc1 ZINC000072184643 563167848 /nfs/dbraw/zinc/16/78/48/563167848.db2.gz GWFLZLFYTPMBHN-XMMPIXPASA-N 0 0 449.986 5.193 1 0 IKAFRN O[C@@](c1cc(-c2ccccc2)on1)(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000072185938 563168190 /nfs/dbraw/zinc/16/81/90/563168190.db2.gz LHBPDTASSUNLNX-JOCHJYFZSA-N 0 0 429.825 6.298 1 0 IKAFRN FC(F)(F)Oc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1Cl ZINC000072315712 563168347 /nfs/dbraw/zinc/16/83/47/563168347.db2.gz SCIJCWVEPLKBGV-UHFFFAOYSA-N 0 0 448.832 5.797 1 0 IKAFRN O=C(Oc1ccccc1)N1CCC(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1 ZINC000072315373 563168387 /nfs/dbraw/zinc/16/83/87/563168387.db2.gz NCZZHJPXIOTLEV-JOCHJYFZSA-N 0 0 433.533 5.387 1 0 IKAFRN COc1ccc([C@H]2CC(=O)N(Cc3ccc(-c4ccno4)cc3)C2)c2c3ccccc3oc21 ZINC000072317646 563168471 /nfs/dbraw/zinc/16/84/71/563168471.db2.gz UTJDHUIBROECDV-IBGZPJMESA-N 0 0 438.483 5.766 1 0 IKAFRN O=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21 ZINC000072318236 563168548 /nfs/dbraw/zinc/16/85/48/563168548.db2.gz GVSOSQXVSIDDOZ-UHFFFAOYSA-N 0 0 440.330 5.810 1 0 IKAFRN CCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1 ZINC000073129880 563168623 /nfs/dbraw/zinc/16/86/23/563168623.db2.gz TZCLFKYOYFCIEV-UHFFFAOYSA-N 0 0 431.367 5.595 1 0 IKAFRN O=C(c1ccccc1)[C@H](c1c[nH]c2ccc(Br)cc21)[C@H]1C(=O)Nc2ccccc21 ZINC000073138687 563168792 /nfs/dbraw/zinc/16/87/92/563168792.db2.gz OEROHWACZCZDEQ-YADHBBJMSA-N 0 0 445.316 5.633 1 0 IKAFRN O=C(c1ccccc1)[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)[C@H]1C(=O)Nc2ccccc21 ZINC000073139228 563168813 /nfs/dbraw/zinc/16/88/13/563168813.db2.gz QORHHAPWEMINMT-SVBPBHIXSA-N 0 0 442.518 6.537 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)[C@H](c3ccccc3)[C@@H]1C2 ZINC000073140170 563168881 /nfs/dbraw/zinc/16/88/81/563168881.db2.gz CUDIYPHOFQUNMY-HYBUGGRVSA-N 0 0 447.922 5.523 1 0 IKAFRN Cc1ccc(CN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C(=O)c2ccccc2)cc1 ZINC000073140615 563168896 /nfs/dbraw/zinc/16/88/96/563168896.db2.gz ARRZZOCFOXLNCS-RUZDIDTESA-N 0 0 448.566 5.806 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Cl)cc3)[C@H](c3ccccc3)[C@H]1C2 ZINC000073140175 563168903 /nfs/dbraw/zinc/16/89/03/563168903.db2.gz CUDIYPHOFQUNMY-GBXCKJPGSA-N 0 0 447.922 5.523 1 0 IKAFRN C[C@H](c1ccc2sc(-c3ccc(C[NH+]4CC(C(=O)[O-])C4)cc3F)nc2c1)c1ccccn1 ZINC000073157131 563169152 /nfs/dbraw/zinc/16/91/52/563169152.db2.gz SSCWZGDBIUBKDW-OAHLLOKOSA-N 0 0 447.535 5.166 1 0 IKAFRN Cc1cc(C(=O)NC[C@H]2CCCO2)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc21 ZINC000073169241 563169790 /nfs/dbraw/zinc/16/97/90/563169790.db2.gz FRTJCWOASKNPLV-OAQYLSRUSA-N 0 0 449.938 5.215 1 0 IKAFRN COc1cc(Nc2nc3c(s2)CCC[C@@H]3c2ccccc2)ccc1-c1sc(C)nc1C ZINC000073170054 563169863 /nfs/dbraw/zinc/16/98/63/563169863.db2.gz SDURVYPKHDBFKT-LJQANCHMSA-N 0 0 447.629 7.104 1 0 IKAFRN COc1ccc2nc(NC(=O)c3cccnc3Nc3ccc(Cl)c(F)c3)sc2c1 ZINC000073198413 563169976 /nfs/dbraw/zinc/16/99/76/563169976.db2.gz SPGFPOXCYDTCDN-UHFFFAOYSA-N 0 0 428.876 5.488 1 0 IKAFRN COc1ccc(Nc2ncc3nc(Nc4c(F)cccc4F)n(C4CCCC4)c3n2)cc1 ZINC000073198490 563170070 /nfs/dbraw/zinc/17/00/70/563170070.db2.gz VQAHFLPDFJAHTG-UHFFFAOYSA-N 0 0 436.466 5.715 1 0 IKAFRN CCCCc1ccc(C(SC(C)(C)[C@H]([NH3+])C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000073198868 563170099 /nfs/dbraw/zinc/17/00/99/563170099.db2.gz PDAJPFCQIWPBGC-RUZDIDTESA-N 0 0 447.644 6.245 1 0 IKAFRN CCCCCCN(CCCCCC)C(=O)[C@@H]1CCCc2c1c1ccccc1n2CCF ZINC000073199051 563170165 /nfs/dbraw/zinc/17/01/65/563170165.db2.gz IEPBDJLCCQHAQX-HSZRJFAPSA-N 0 0 428.636 7.020 1 0 IKAFRN COc1cccc(-c2c[nH]c([C@H](NC(=O)CCCOc3ccccc3)C3CCCCC3)n2)c1 ZINC000073199612 563170272 /nfs/dbraw/zinc/17/02/72/563170272.db2.gz ZNONXBIEHNDKBX-AREMUKBSSA-N 0 0 447.579 5.682 1 0 IKAFRN Clc1ccc(OCCOc2ccc(-c3ccccc3)nc2Br)c(Cl)c1 ZINC000073219576 563170404 /nfs/dbraw/zinc/17/04/04/563170404.db2.gz KCDRDRFNDMAXIH-UHFFFAOYSA-N 0 0 439.136 6.276 1 0 IKAFRN Nc1scc(CN2CCN(c3ccccc3Cl)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000073222412 563170678 /nfs/dbraw/zinc/17/06/78/563170678.db2.gz ZGNUUPGCNLNRGC-UHFFFAOYSA-N 0 0 446.403 5.190 1 0 IKAFRN CCCCc1cc2c(cc1OCCOc1ccccc1)[nH]c(C)c(-c1ccccc1)c2=O ZINC000073240800 563171297 /nfs/dbraw/zinc/17/12/97/563171297.db2.gz HSKVJIIBEPNKNJ-UHFFFAOYSA-N 0 0 427.544 6.304 1 0 IKAFRN COc1cccc2c1CCc1c(-c3ccc(F)cc3)cc(-c3ccc4ccccc4n3)nc1-2 ZINC000073242970 563171414 /nfs/dbraw/zinc/17/14/14/563171414.db2.gz FOHFZQFUSMKJGF-UHFFFAOYSA-N 0 0 432.498 6.877 1 0 IKAFRN Cc1cccc(Oc2ccc(-c3nc(-c4csc(C[NH+]5CC(C(=O)[O-])C5)c4)no3)cc2)c1 ZINC000073278285 563171737 /nfs/dbraw/zinc/17/17/37/563171737.db2.gz GIHPQDVYSVBQIQ-UHFFFAOYSA-N 0 0 447.516 5.082 1 0 IKAFRN CN(C(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1)c1ccccc1 ZINC000073292817 563171896 /nfs/dbraw/zinc/17/18/96/563171896.db2.gz GPUDKIUSSXZVNS-OAQYLSRUSA-N 0 0 442.346 5.435 1 0 IKAFRN O=C(NCc1ccccc1)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073292828 563171911 /nfs/dbraw/zinc/17/19/11/563171911.db2.gz IRSFFPSIZQQYCD-NRFANRHFSA-N 0 0 442.346 5.088 1 0 IKAFRN COc1ccc([C@@H](CC(=O)CCc2ccc3cc(OC)ccc3c2)Nc2cc(C)on2)cc1 ZINC000073294393 563172000 /nfs/dbraw/zinc/17/20/00/563172000.db2.gz QAPSLYVISAVJLX-AREMUKBSSA-N 0 0 444.531 5.899 1 0 IKAFRN C[C@](Nc1ccc(O)cc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000073310900 563172276 /nfs/dbraw/zinc/17/22/76/563172276.db2.gz HUKXAGQGHJAYNC-RUZDIDTESA-N 0 0 446.443 6.423 1 0 IKAFRN COc1c(F)cc(Oc2c(Cl)cnn(Cc3cccc4ccccc43)c2=O)cc1F ZINC000073314187 563172345 /nfs/dbraw/zinc/17/23/45/563172345.db2.gz SUCODMONHZVJJU-UHFFFAOYSA-N 0 0 428.822 5.177 1 0 IKAFRN C[C@](Nc1ccccc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000073315170 563172409 /nfs/dbraw/zinc/17/24/09/563172409.db2.gz IORYKYZJWNIIGU-RUZDIDTESA-N 0 0 430.444 6.718 1 0 IKAFRN COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3cccc(F)c3)ccc2c1 ZINC000073314586 563172415 /nfs/dbraw/zinc/17/24/15/563172415.db2.gz PBFMMCDLLPTOOF-VWLOTQADSA-N 0 0 432.495 6.029 1 0 IKAFRN O=c1c(Oc2ccc(Cl)c(Cl)c2)c(Cl)cnn1Cc1cccc2ccccc21 ZINC000073370917 563172643 /nfs/dbraw/zinc/17/26/43/563172643.db2.gz RLQWXOXXXMLLIX-UHFFFAOYSA-N 0 0 431.706 6.197 1 0 IKAFRN CC1(C)Oc2c3ccccc3oc(=O)c2[C@H]2C3=Cc4cc(Cl)ccc4O[C@@]3(C)CC[C@H]21 ZINC000073388601 563172749 /nfs/dbraw/zinc/17/27/49/563172749.db2.gz IUHOFVFVOGVPPT-GZAUMTHMSA-N 0 0 434.919 6.346 1 0 IKAFRN COc1c(F)cc(Oc2c(Cl)cnn(Cc3cccc4ccccc43)c2=O)cc1Cl ZINC000073406030 563172831 /nfs/dbraw/zinc/17/28/31/563172831.db2.gz PHEAFSYBJCFGOJ-UHFFFAOYSA-N 0 0 445.277 5.692 1 0 IKAFRN COc1ccc(Nc2ncc3nc(Nc4ccccc4Cl)n(C4CCCC4)c3n2)cc1 ZINC000082151666 563173232 /nfs/dbraw/zinc/17/32/32/563173232.db2.gz GHNFBAGHBLQXTA-UHFFFAOYSA-N 0 0 434.931 6.091 1 0 IKAFRN CCCCCc1ccc(C(SC[C@H]([NH3+])C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000082156783 563173690 /nfs/dbraw/zinc/17/36/90/563173690.db2.gz YZWLSAPZKRYOOF-VWLOTQADSA-N 0 0 433.617 5.856 1 0 IKAFRN O=C(c1sc(Nc2ccc(Oc3ccccc3)cc2)nc1-c1ccccc1)c1ccccc1 ZINC000084636041 563174836 /nfs/dbraw/zinc/17/48/36/563174836.db2.gz GEISJFNMRCXBPC-UHFFFAOYSA-N 0 0 448.547 7.577 1 0 IKAFRN O=c1c(Cl)c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2ccccc12 ZINC000084687115 563175663 /nfs/dbraw/zinc/17/56/63/563175663.db2.gz JUOYHJPAYQNMCS-UHFFFAOYSA-N 0 0 429.825 6.338 1 0 IKAFRN CC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(Cl)c(OC(F)F)cc3C)ccnc21 ZINC000084689325 563176101 /nfs/dbraw/zinc/17/61/01/563176101.db2.gz AGXBQHOVCVJMSO-KRWDZBQOSA-N 0 0 433.886 5.691 1 0 IKAFRN CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(OC(F)(F)F)ccc2o1 ZINC000084690186 563176328 /nfs/dbraw/zinc/17/63/28/563176328.db2.gz VXTLJIRADXWIRX-UHFFFAOYSA-N 0 0 449.458 5.242 1 0 IKAFRN Cc1cc(C)cc(CNc2nc(-c3cccc(C)n3)c(-c3ccc4ncnn4c3)s2)c1 ZINC000084690900 563176466 /nfs/dbraw/zinc/17/64/66/563176466.db2.gz IXHWEVQIYXKCCA-UHFFFAOYSA-N 0 0 426.549 5.452 1 0 IKAFRN CCCNc1ncc(-c2cc(-c3cc(OC)ccc3Cl)nc(-c3cnccn3)n2)s1 ZINC000084690803 563176491 /nfs/dbraw/zinc/17/64/91/563176491.db2.gz MVJBIZDRJOFXBG-UHFFFAOYSA-N 0 0 438.944 5.208 1 0 IKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccc(-c3ccccc3)cc21 ZINC000084690886 563176509 /nfs/dbraw/zinc/17/65/09/563176509.db2.gz XVEXONDXMBEISU-UHFFFAOYSA-N 0 0 440.631 7.197 1 0 IKAFRN Cc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc(-c3ccsc3)cc1)S[C@@H](C)C(=O)N2 ZINC000084705529 563176803 /nfs/dbraw/zinc/17/68/03/563176803.db2.gz NIEWBUALYBNLOU-GAJHUEQPSA-N 0 0 445.613 6.381 1 0 IKAFRN COc1ccc(C2=NN(C(=O)c3ccc(Cl)nc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000084705453 563176831 /nfs/dbraw/zinc/17/68/31/563176831.db2.gz POPIBINSVGFJBJ-HXUWFJFHSA-N 0 0 426.303 5.389 1 0 IKAFRN CC(=O)Oc1ccccc1Cn1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000084705370 563176833 /nfs/dbraw/zinc/17/68/33/563176833.db2.gz AIHJGPRVDUEPDV-FQEVSTJZSA-N 0 0 426.560 6.360 1 0 IKAFRN [NH3+][C@@H](CS[C@](Cc1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000084706039 563176949 /nfs/dbraw/zinc/17/69/49/563176949.db2.gz SVYAJSPCPSKHJH-JTHBVZDNSA-N 0 0 446.399 5.625 1 0 IKAFRN COC(=O)N[C@@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 ZINC000084707026 563176991 /nfs/dbraw/zinc/17/69/91/563176991.db2.gz WITLAKUTNJGTNP-MRXNPFEDSA-N 0 0 432.307 5.416 1 0 IKAFRN CCOC(=O)C(C)(C)C1=C/C(=C\c2ccc(-c3ccccc3)c(F)c2)c2ccc(F)cc21 ZINC000084710018 563177208 /nfs/dbraw/zinc/17/72/08/563177208.db2.gz LCDQZGLPYOVDQA-XSFVSMFZSA-N 0 0 430.494 7.159 1 0 IKAFRN CCOC(=O)C(C)(C)C1=C/C(=C\c2ccc(-c3ccc(F)cc3)cc2)c2ccc(F)cc21 ZINC000084710021 563177244 /nfs/dbraw/zinc/17/72/44/563177244.db2.gz YCBBGNFZJZTHHA-RCCKNPSSSA-N 0 0 430.494 7.159 1 0 IKAFRN CCCCNC(=O)c1cc(NC(=O)CN2CCCC2)ccc1Oc1ccc(C(C)C)cc1 ZINC000084710137 563177329 /nfs/dbraw/zinc/17/73/29/563177329.db2.gz VOBZYKILMXTPBE-UHFFFAOYSA-N 0 0 437.584 5.167 1 0 IKAFRN [NH3+][C@@H](CS[C@@](Cc1ccccc1)(c1ccc(Cl)cc1)c1cccc(Cl)c1)C(=O)[O-] ZINC000084710600 563177349 /nfs/dbraw/zinc/17/73/49/563177349.db2.gz IWWVAZMDKATSOE-GMAHTHKFSA-N 0 0 446.399 5.625 1 0 IKAFRN COc1ccc(-c2cc3ccc(OCCc4nc(-c5ccccc5)oc4C)cc3o2)cc1 ZINC000084712414 563177689 /nfs/dbraw/zinc/17/76/89/563177689.db2.gz UKBCRSUUHRVILE-UHFFFAOYSA-N 0 0 425.484 6.693 1 0 IKAFRN CC(C)Cc1ccc([C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2Cl)cc1 ZINC000084713294 563177761 /nfs/dbraw/zinc/17/77/61/563177761.db2.gz BHWXTGUSZFCXBQ-GOSISDBHSA-N 0 0 437.414 7.742 1 0 IKAFRN N=C(Nc1ccc(COCc2ccc(NC(=N)c3ccccn3)cc2)cc1)c1ccccn1 ZINC000084723366 563178021 /nfs/dbraw/zinc/17/80/21/563178021.db2.gz XSJOFNAZLJDFED-UHFFFAOYSA-N 0 0 436.519 5.068 1 0 IKAFRN CCOC(=O)C1=C(Nc2ccc(C)cc2)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000084724707 563178134 /nfs/dbraw/zinc/17/81/34/563178134.db2.gz PBTMBXIOPFMCBV-RUZDIDTESA-N 0 0 426.516 5.321 1 0 IKAFRN CCOC(=O)C(C)(C)C1=C/C(=C\c2cccc(-c3ccc(F)cc3)n2)c2ccc(F)cc21 ZINC000084724088 563178135 /nfs/dbraw/zinc/17/81/35/563178135.db2.gz BVBPFGHPCCDWBU-NBVRZTHBSA-N 0 0 431.482 6.554 1 0 IKAFRN Cc1sc(N)c(C(=O)c2ccccc2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000084731868 563178633 /nfs/dbraw/zinc/17/86/33/563178633.db2.gz CKWRHFSLVPKNBB-UHFFFAOYSA-N 0 0 429.385 6.574 1 0 IKAFRN Cc1ccc([C@@H]2N=C(c3ccc(Br)cc3)Oc3ccc4ccccc4c32)cc1 ZINC000084731349 563178635 /nfs/dbraw/zinc/17/86/35/563178635.db2.gz FUKHKUTUBQILHH-DEOSSOPVSA-N 0 0 428.329 6.839 1 0 IKAFRN Cc1cccc(-c2nc(NCc3ccc(F)c(F)c3)sc2-c2ccc3ncnn3c2)n1 ZINC000084742265 563179292 /nfs/dbraw/zinc/17/92/92/563179292.db2.gz VXRUZPWNIPZAQV-UHFFFAOYSA-N 0 0 434.475 5.114 1 0 IKAFRN COc1cc2cc(S(=O)(=O)c3ccc(Cl)cc3)c3nc(C)sc3c2cc1OC ZINC000084757418 563179435 /nfs/dbraw/zinc/17/94/35/563179435.db2.gz JCJJVCVXANMNFJ-UHFFFAOYSA-N 0 0 433.938 5.261 1 0 IKAFRN O=C(c1cccc2ccccc21)N1Cc2ccccc2C[C@H]1COc1ccc(F)cc1F ZINC000084758302 563179613 /nfs/dbraw/zinc/17/96/13/563179613.db2.gz WBVHBINTMLXBLQ-QFIPXVFZSA-N 0 0 429.466 5.764 1 0 IKAFRN O=C(c1cccc2ccccc21)N1Cc2ccccc2C[C@@H]1COc1ccc(F)cc1F ZINC000084758301 563179619 /nfs/dbraw/zinc/17/96/19/563179619.db2.gz WBVHBINTMLXBLQ-JOCHJYFZSA-N 0 0 429.466 5.764 1 0 IKAFRN Cc1c(=O)c2ccccc2[nH]c1-c1c(F)cc(-c2ccc(OC(F)(F)F)cc2)cc1F ZINC000084758701 563179686 /nfs/dbraw/zinc/17/96/86/563179686.db2.gz AVJPZFUKKMTISI-UHFFFAOYSA-N 0 0 431.360 6.347 1 0 IKAFRN COc1ccc2cc(-c3cn([C@H](C)c4ccc5sc6ccccc6c5c4)nn3)ccc2c1 ZINC000084759239 563179716 /nfs/dbraw/zinc/17/97/16/563179716.db2.gz FNORUMINAWZISS-QGZVFWFLSA-N 0 0 435.552 7.084 1 0 IKAFRN COCc1cc(OC)c(Oc2nc3cccc(NC4CCCCC4)c3cc2C)c(OC)c1 ZINC000084759351 563179831 /nfs/dbraw/zinc/17/98/31/563179831.db2.gz VLULIAGJCRKIBU-UHFFFAOYSA-N 0 0 436.552 6.244 1 0 IKAFRN COc1ccc(-n2nnc(CCCCN3c4ccccc4Sc4ccccc43)n2)cc1 ZINC000084759574 563179838 /nfs/dbraw/zinc/17/98/38/563179838.db2.gz KIHOJZCALKBJBN-UHFFFAOYSA-N 0 0 429.549 5.297 1 0 IKAFRN Fc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2Cl)cc1Cl ZINC000085679244 563179993 /nfs/dbraw/zinc/17/99/93/563179993.db2.gz MRNOGUDBSGVPPX-UHFFFAOYSA-N 0 0 426.322 6.656 1 0 IKAFRN Cc1ccc(NC(=S)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000087711579 563180113 /nfs/dbraw/zinc/18/01/13/563180113.db2.gz VCKSZZUSBYOEKT-UHFFFAOYSA-N 0 0 445.654 5.492 3 0 IKAFRN COc1ccc(-c2nc3cc(Cl)ccc3n2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000095552143 563180751 /nfs/dbraw/zinc/18/07/51/563180751.db2.gz RKIYADMQYCOQLU-UHFFFAOYSA-N 0 0 438.911 5.439 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(C)cc(OC(F)(F)F)c1)CC2 ZINC000095552640 563180895 /nfs/dbraw/zinc/18/08/95/563180895.db2.gz LGXTZIAGXUJVDO-UHFFFAOYSA-N 0 0 434.336 5.516 1 0 IKAFRN CCCOc1ccc2c(cc(-c3cc4ccccc4nc3N3CCOCC3)cc2C(C)C)n1 ZINC000095553050 563180996 /nfs/dbraw/zinc/18/09/96/563180996.db2.gz YBYGFAJBPVSJHP-UHFFFAOYSA-N 0 0 441.575 6.199 1 0 IKAFRN CCOC(=O)c1c(O)c2cc(OC)c(Cl)cc2nc1-c1cccc(-c2ccccc2)c1 ZINC000095553788 563181101 /nfs/dbraw/zinc/18/11/01/563181101.db2.gz TXJNZCJFBRAWMU-UHFFFAOYSA-N 0 0 433.891 5.701 1 0 IKAFRN COc1cc(/C=C2/c3ccccc3N(c3c(Cl)cccc3Cl)C2=O)cc(OC)c1O ZINC000095554303 563181109 /nfs/dbraw/zinc/18/11/09/563181109.db2.gz FJFISXFAMYWPSK-GDNBJRDFSA-N 0 0 442.298 5.935 1 0 IKAFRN CCCOc1nc2ccccc2cc1-c1cc2nc(N3CCOCC3)ccc2c(C(C)C)c1 ZINC000095553787 563181124 /nfs/dbraw/zinc/18/11/24/563181124.db2.gz NNSULNYBTSFDTD-UHFFFAOYSA-N 0 0 441.575 6.199 1 0 IKAFRN CC[C@@H](C)c1cc(-c2ccc(OCC[NH+](C)C)c([C@@H](C)CC)c2)ccc1OCC(=O)[O-] ZINC000095555355 563181270 /nfs/dbraw/zinc/18/12/70/563181270.db2.gz AAKIKGCJVGKMAI-RBUKOAKNSA-N 0 0 427.585 5.784 1 0 IKAFRN O=C(Nc1cc(OC(F)(F)F)cc(-c2cccnc2)c1)N1CCc2ccc(Cl)cc21 ZINC000095557387 563181605 /nfs/dbraw/zinc/18/16/05/563181605.db2.gz ZAHDEASWZMGGPA-UHFFFAOYSA-N 0 0 433.817 5.895 1 0 IKAFRN Cc1nc(Cc2ccc(Cl)cc2)sc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000095559272 563181967 /nfs/dbraw/zinc/18/19/67/563181967.db2.gz YWEHWVXBTFPZHN-HXUWFJFHSA-N 0 0 435.401 6.128 1 0 IKAFRN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3nc4c(c(N)c32)CCCC4)c(OC)c1 ZINC000095561504 563182429 /nfs/dbraw/zinc/18/24/29/563182429.db2.gz WVOGNNUVYUMTIT-XMMPIXPASA-N 0 0 438.527 5.999 1 0 IKAFRN C[C@H](O)C1CCN(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1 ZINC000095561827 563182481 /nfs/dbraw/zinc/18/24/81/563182481.db2.gz GNWKATFENPQMIQ-INIZCTEOSA-N 0 0 447.564 5.219 1 0 in-vitro IKAFRN Clc1ccc2c(c1)S[C@H](c1ccccc1)[C@@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000095563328 563182852 /nfs/dbraw/zinc/18/28/52/563182852.db2.gz NAGCVRCWFWUITK-FULLSBAXSA-N 0 0 437.995 8.070 1 0 IKAFRN Oc1ccc2c(c1)CCc1ccc(cc1O)Oc1cc(ccc1O)CCc1ccc-2c(O)c1 ZINC000095563879 563183013 /nfs/dbraw/zinc/18/30/13/563183013.db2.gz INMCZJKRQGAPFX-UHFFFAOYSA-N 0 0 440.495 5.852 1 0 IKAFRN CCCCCCSc1ccc(-c2nc3ccc(C)cn3c2NCCCC)cc1OC ZINC000095566129 563183424 /nfs/dbraw/zinc/18/34/24/563183424.db2.gz XLDDMCPNRZHMAR-UHFFFAOYSA-N 0 0 425.642 7.203 3 0 IKAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)c1 ZINC000095566863 563183658 /nfs/dbraw/zinc/18/36/58/563183658.db2.gz IPXIOUVIOKPMOR-UHFFFAOYSA-N 0 0 429.804 5.178 1 0 IKAFRN O=c1c(-c2ccccc2)nc2ccccc2n1[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000095566545 563183566 /nfs/dbraw/zinc/18/35/66/563183566.db2.gz OPWLCLDGWAGEMT-SANMLTNESA-N 0 0 428.495 5.578 3 0 IKAFRN O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(Cl)c(Cl)c1)O[C@@H](CCc1ccccc1)C2 ZINC000095567254 563183737 /nfs/dbraw/zinc/18/37/37/563183737.db2.gz AUMXPKIZKRMKRC-LIRRHRJNSA-N 0 0 433.360 5.403 3 0 IKAFRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](c2ccccn2)C23CC2C3)c(C(C)C)c1 ZINC000095568956 563184001 /nfs/dbraw/zinc/18/40/01/563184001.db2.gz VQWHUKDXVQJTSN-ISISGCMPSA-N 0 0 426.626 5.881 3 0 IKAFRN CN(Cc1ccc(Cl)c(Cl)c1)[C@@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C ZINC000095569107 563184002 /nfs/dbraw/zinc/18/40/02/563184002.db2.gz PIETVPGWYFWLJX-FQEVSTJZSA-N 0 0 444.366 5.703 3 0 IKAFRN O=C(NC1CCCC1)[C@@H](c1ccccc1)n1c(Cc2cc(F)cc(F)c2)nc2ccccc21 ZINC000095569420 563184089 /nfs/dbraw/zinc/18/40/89/563184089.db2.gz QRXVJQZKRHOLJE-AREMUKBSSA-N 0 0 445.513 5.554 3 0 IKAFRN FC(F)(F)c1cc(Cl)c2nc(-c3ccco3)c(Cc3ccccc3C(F)(F)F)n2c1 ZINC000095569700 563184179 /nfs/dbraw/zinc/18/41/79/563184179.db2.gz XYIVACLBHZZHSE-UHFFFAOYSA-N 0 0 444.762 6.876 3 0 IKAFRN Cc1ccc(OCc2nc3ccccc3n2[C@H](C(=O)Nc2c(C)cccc2C)C2CC2)cc1 ZINC000095569879 563184215 /nfs/dbraw/zinc/18/42/15/563184215.db2.gz XHYCTATYQXYNEV-MHZLTWQESA-N 0 0 439.559 6.130 3 0 IKAFRN COc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(Cl)c2)cc1OC ZINC000095569821 563184264 /nfs/dbraw/zinc/18/42/64/563184264.db2.gz CUDLRWYWDPFLKG-UHFFFAOYSA-N 0 0 428.919 6.416 3 0 IKAFRN O=C(NC1CCCC1)[C@H](c1ccccc1)n1c2ccccc2nc1-c1ccc2c(c1)CCO2 ZINC000095569867 563184271 /nfs/dbraw/zinc/18/42/71/563184271.db2.gz UHPZLZWVXIFQOC-SANMLTNESA-N 0 0 437.543 5.286 3 0 IKAFRN COc1ccc(Cc2c(C3CCCCC3)nc3c(Cl)cc(C(F)(F)F)cn23)c(C)c1 ZINC000095571229 563184401 /nfs/dbraw/zinc/18/44/01/563184401.db2.gz ZOLQYZXQBBRITG-UHFFFAOYSA-N 0 0 436.905 6.962 3 0 IKAFRN O=c1[nH]c(=S)[nH]c2c1[C@H](c1cccc(C(F)(F)F)c1)O[C@H](CCc1ccccc1)C2 ZINC000095570963 563184420 /nfs/dbraw/zinc/18/44/20/563184420.db2.gz PDMWMDYCWZPWOB-APWZRJJASA-N 0 0 432.467 5.115 3 0 IKAFRN O=C(NCc1ccccc1)[C@@H](C1CC1)n1c(Cc2cc(F)cc(F)c2)nc2ccccc21 ZINC000095571235 563184435 /nfs/dbraw/zinc/18/44/35/563184435.db2.gz PPBFXGBHWVTLHP-RUZDIDTESA-N 0 0 431.486 5.173 3 0 IKAFRN O=c1[nH]c(=S)[nH]c2c1[C@@H](c1cccc(C(F)(F)F)c1)O[C@H](CCc1ccccc1)C2 ZINC000095570965 563184437 /nfs/dbraw/zinc/18/44/37/563184437.db2.gz PDMWMDYCWZPWOB-VQIMIIECSA-N 0 0 432.467 5.115 3 0 IKAFRN O=c1[nH]c(=S)[nH]c2c1[C@@H](c1cccc(C(F)(F)F)c1)O[C@@H](CCc1ccccc1)C2 ZINC000095570966 563184443 /nfs/dbraw/zinc/18/44/43/563184443.db2.gz PDMWMDYCWZPWOB-QFBILLFUSA-N 0 0 432.467 5.115 3 0 IKAFRN Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)c1C ZINC000095571750 563184579 /nfs/dbraw/zinc/18/45/79/563184579.db2.gz FFRUAXVVWCDMLM-HSZRJFAPSA-N 0 0 426.988 5.117 1 0 IKAFRN Cc1ccc2c(n1)Nc1ccc(C)c(C)c1N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000095572099 563184635 /nfs/dbraw/zinc/18/46/35/563184635.db2.gz VZELSPNRKZDDGT-UHFFFAOYSA-N 0 0 435.593 5.757 1 0 IKAFRN CC(=O)Nc1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1 ZINC000095572130 563184674 /nfs/dbraw/zinc/18/46/74/563184674.db2.gz RUNUKCKEYGDZLR-UHFFFAOYSA-N 0 0 427.512 5.387 1 0 IKAFRN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)(C)C ZINC000095572778 563184892 /nfs/dbraw/zinc/18/48/92/563184892.db2.gz JDINXGAGMZNXJB-JOCHJYFZSA-N 0 0 426.988 5.199 1 0 IKAFRN COc1ccc(C2=C(c3ccc(OCc4ccc5ccccc5n4)cc3)C(=O)N(C)C2)cc1 ZINC000095573284 563185023 /nfs/dbraw/zinc/18/50/23/563185023.db2.gz MCBOAVVCEXFRNI-UHFFFAOYSA-N 0 0 436.511 5.205 1 0 IKAFRN Cc1noc(-c2ccc3c(c2)c2c(n3C[C@H](F)COc3cc(F)cc(F)c3)CCCC2)n1 ZINC000095573353 563185093 /nfs/dbraw/zinc/18/50/93/563185093.db2.gz MAJDGZOZHNXQSL-SFHVURJKSA-N 0 0 441.453 5.574 1 0 IKAFRN COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2F)n3C)ccc1-n1cnc(C)c1 ZINC000095573945 563185248 /nfs/dbraw/zinc/18/52/48/563185248.db2.gz OABVPHMXGVFMQT-UHFFFAOYSA-N 0 0 445.473 5.765 1 0 IKAFRN Fc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1OC(F)(F)F ZINC000095574751 563185409 /nfs/dbraw/zinc/18/54/09/563185409.db2.gz UAEWXICMVWVIMK-UHFFFAOYSA-N 0 0 432.377 5.283 1 0 IKAFRN CCC[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000095575242 563185608 /nfs/dbraw/zinc/18/56/08/563185608.db2.gz HJEJGZGXMRYDDF-VWLOTQADSA-N 0 0 448.994 5.798 1 0 IKAFRN CCCn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2F)c1-c1ccc(O)cc1F ZINC000095575277 563185627 /nfs/dbraw/zinc/18/56/27/563185627.db2.gz LSPMQVTZNPQXAR-UHFFFAOYSA-N 0 0 439.433 6.433 1 0 IKAFRN O=C1CC[C@H]2c3cc(OCc4ccc(F)cc4)c(OCc4ccc(F)cc4)cc3CCN12 ZINC000095575513 563185713 /nfs/dbraw/zinc/18/57/13/563185713.db2.gz UWFQYQNTGPSGFQ-QHCPKHFHSA-N 0 0 435.470 5.342 1 0 IKAFRN O=C1CC[C@@H]2c3cc(OCc4ccc(F)cc4)c(OCc4ccc(F)cc4)cc3CCN12 ZINC000095575514 563185734 /nfs/dbraw/zinc/18/57/34/563185734.db2.gz UWFQYQNTGPSGFQ-HSZRJFAPSA-N 0 0 435.470 5.342 1 0 IKAFRN FC(F)(F)Cc1cnc2c(Cl)c(-c3cc4ccn(CC5CC5)c4c(Cl)c3)ccn12 ZINC000095576013 563185832 /nfs/dbraw/zinc/18/58/32/563185832.db2.gz VEWBCNTUXMKBMD-UHFFFAOYSA-N 0 0 438.280 6.778 1 0 IKAFRN COc1cc(Nc2cccc3oc(Cc4ccc(F)cc4)nc32)ccc1-n1cnc(C)c1 ZINC000095575706 563185851 /nfs/dbraw/zinc/18/58/51/563185851.db2.gz NPYAHWBZOQFCKU-UHFFFAOYSA-N 0 0 428.467 5.804 1 0 IKAFRN FC(F)(F)C1(c2ccccc2)CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1 ZINC000095576247 563185907 /nfs/dbraw/zinc/18/59/07/563185907.db2.gz QSMXXTRLUCIQSH-UHFFFAOYSA-N 0 0 434.893 5.436 1 0 IKAFRN Cc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1Nc1ccc2c(c1)CCCCC2=O ZINC000095576313 563185954 /nfs/dbraw/zinc/18/59/54/563185954.db2.gz UNNSFDSCOGSJDW-UHFFFAOYSA-N 0 0 440.587 7.198 1 0 IKAFRN Clc1cccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)c1 ZINC000095577132 563186195 /nfs/dbraw/zinc/18/61/95/563186195.db2.gz ARQMZUQHYGRGKL-UHFFFAOYSA-N 0 0 426.907 6.176 1 0 IKAFRN COc1ccc(C2=NN(C(=O)c3cc(Cl)ccc3O)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095577318 563186212 /nfs/dbraw/zinc/18/62/12/563186212.db2.gz WXACIDRVAAKEJD-OAQYLSRUSA-N 0 0 441.314 5.699 1 0 IKAFRN Cc1ccc(C(NC(=O)Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000095577409 563186219 /nfs/dbraw/zinc/18/62/19/563186219.db2.gz TUILVEAESIDKOI-UHFFFAOYSA-N 0 0 441.358 5.018 1 0 IKAFRN Cc1ccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)cc1NC(=O)c1ccccc1 ZINC000095577634 563186339 /nfs/dbraw/zinc/18/63/39/563186339.db2.gz DTUOAUQGMIXDFU-UHFFFAOYSA-N 0 0 432.523 6.321 1 0 IKAFRN COC(=O)C[C@H]1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O ZINC000095577986 563186602 /nfs/dbraw/zinc/18/66/02/563186602.db2.gz LSXWGWIINRYFAI-JMUQELJHSA-N 0 0 446.374 5.640 1 0 IKAFRN Clc1ccc(-c2nnc(-c3cc(Br)c(Br)[nH]3)o2)c(Cl)c1 ZINC000095578865 563186842 /nfs/dbraw/zinc/18/68/42/563186842.db2.gz WSXVQMLDKUTHCP-UHFFFAOYSA-N 0 0 437.906 5.564 1 0 IKAFRN COc1cc([C@@H]2C[C@@]23CCCN([C@@H](C)c2ccc(F)cc2)C3=O)ccc1-n1cnc(C)c1 ZINC000095578919 563186852 /nfs/dbraw/zinc/18/68/52/563186852.db2.gz CINAODWEFYFMCD-DOPYIHRPSA-N 0 0 433.527 5.186 1 0 IKAFRN CC(C)[C@@H](NC(=O)Cc1cccc(Cl)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000095579930 563187157 /nfs/dbraw/zinc/18/71/57/563187157.db2.gz KRYCCBLVGQUESB-HSZRJFAPSA-N 0 0 447.406 5.083 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC000095582513 563187972 /nfs/dbraw/zinc/18/79/72/563187972.db2.gz NXMLCRVEBOAFJK-UHFFFAOYSA-N 0 0 442.129 7.737 1 0 IKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(-c2ccc3ccccc3c2)s1 ZINC000095585127 563188726 /nfs/dbraw/zinc/18/87/26/563188726.db2.gz LXNJNVBQBDELRX-NDEPHWFRSA-N 0 0 446.575 7.364 1 0 IKAFRN Cc1c2oc3c(c2cc2c(C)c(CCC(=O)Nc4ccc(O)cc4)c(=O)oc12)CCCC3 ZINC000095585244 563188820 /nfs/dbraw/zinc/18/88/20/563188820.db2.gz PSPDMMNYSJAVEC-UHFFFAOYSA-N 0 0 431.488 5.312 1 0 IKAFRN Cc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2OCc2ccccc2)s1 ZINC000095585274 563188832 /nfs/dbraw/zinc/18/88/32/563188832.db2.gz NSPIBXUSIGAQLR-AREMUKBSSA-N 0 0 440.568 6.431 1 0 IKAFRN CC[C@@H]1CCCCN1C(=O)/C=C/c1c(/C=C/c2ccc(OC)cc2)cc(OC)cc1OC ZINC000095586436 563189153 /nfs/dbraw/zinc/18/91/53/563189153.db2.gz CALFSGSUDFWDAW-NWHNIJLCSA-N 0 0 435.564 5.687 1 0 IKAFRN Cc1nn(C)c(Oc2ccccc2C(F)(F)F)c1C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000095586699 563189286 /nfs/dbraw/zinc/18/92/86/563189286.db2.gz DQWNTGMOUIJOAL-GOSISDBHSA-N 0 0 444.457 5.302 1 0 IKAFRN COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000095589775 563189701 /nfs/dbraw/zinc/18/97/01/563189701.db2.gz PHVKEPWPEVNNRD-BRIXCJGGSA-N 0 0 435.564 5.401 1 0 IKAFRN O=C(c1ccc(C(F)(F)F)cc1)N1CCOc2ccc(-c3ccc4[nH]cnc4c3)cc2C1 ZINC000095590045 563189799 /nfs/dbraw/zinc/18/97/99/563189799.db2.gz CXWNDVAYTGMYND-UHFFFAOYSA-N 0 0 437.421 5.284 1 0 IKAFRN Cc1c(Cl)cccc1C(=O)N1CCC[C@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)C1 ZINC000095590219 563189989 /nfs/dbraw/zinc/18/99/89/563189989.db2.gz JFXKJWJJNWBCRK-HXWOXPGZSA-N 0 0 439.987 5.519 1 0 IKAFRN COc1ccc([C@@H]2c3c(cc(OC)cc3OC)C(C)=C2c2cc(OC)cc(OC)c2)cc1 ZINC000095590745 563190079 /nfs/dbraw/zinc/19/00/79/563190079.db2.gz IZDULYYAZKYBGP-SANMLTNESA-N 0 0 432.516 5.806 1 0 IKAFRN COc1ccc([C@H]2c3c(cc(OC)cc3OC)C(C)=C2c2cc(OC)cc(OC)c2)cc1 ZINC000095590746 563190112 /nfs/dbraw/zinc/19/01/12/563190112.db2.gz IZDULYYAZKYBGP-AREMUKBSSA-N 0 0 432.516 5.806 1 0 IKAFRN COC(=O)c1ccc(NC(=O)Nc2cccnc2Oc2cccc(C(F)(F)F)c2)cc1 ZINC000095590928 563190183 /nfs/dbraw/zinc/19/01/83/563190183.db2.gz YTHXPZXQHDFJCY-UHFFFAOYSA-N 0 0 431.370 5.323 1 0 IKAFRN CC(C)(C)C(=O)Nc1nc2[nH]c3cccc(Cl)c3c2c(Nc2ccc(Cl)cc2F)n1 ZINC000095591661 563190381 /nfs/dbraw/zinc/19/03/81/563190381.db2.gz RRMYLYIWCKITOG-UHFFFAOYSA-N 0 0 446.313 6.285 1 0 IKAFRN O=c1c2ccccc2sn1[C@H](Cc1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000095593088 563190646 /nfs/dbraw/zinc/19/06/46/563190646.db2.gz WBLYUHDURWSSDA-LJQANCHMSA-N 0 0 433.920 5.599 1 0 IKAFRN COc1cc(Sc2c3ccccc3[nH]c2-c2ccc3[nH]ccc3c2)cc(OC)c1OC ZINC000095593033 563190667 /nfs/dbraw/zinc/19/06/67/563190667.db2.gz VRZXJXMZIDJPTG-UHFFFAOYSA-N 0 0 430.529 6.493 1 0 IKAFRN Nc1ccc(-c2ccc(OCc3nnc(SC4CCCC4)n3-c3cccnc3)cc2)cc1 ZINC000095593816 563190768 /nfs/dbraw/zinc/19/07/68/563190768.db2.gz WCCWVRVCAGDGKL-UHFFFAOYSA-N 0 0 443.576 5.525 1 0 IKAFRN CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095593654 563190808 /nfs/dbraw/zinc/19/08/08/563190808.db2.gz JXGIYKRRPGCLFV-QFIPXVFZSA-N 0 0 433.552 5.275 3 0 IKAFRN C=C(c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1-c1ccc2ccccc2c1 ZINC000095594228 563190939 /nfs/dbraw/zinc/19/09/39/563190939.db2.gz GHKHIDXGYMNDIS-UHFFFAOYSA-N 0 0 426.512 6.603 1 0 IKAFRN COc1cc(/C=C2\CCCCN3C2=NOC[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000095594133 563190945 /nfs/dbraw/zinc/19/09/45/563190945.db2.gz YRGMMCOPNXRHSC-QYAMMSNYSA-N 0 0 446.526 5.283 1 0 IKAFRN CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095594480 563191041 /nfs/dbraw/zinc/19/10/41/563191041.db2.gz DOMGCPLUUDIPFX-QFIPXVFZSA-N 0 0 433.552 5.275 1 0 IKAFRN COc1ccc(Oc2c(Cl)cnn(C3=Nc4ccccc4Oc4ccccc43)c2=O)cc1 ZINC000095594362 563191052 /nfs/dbraw/zinc/19/10/52/563191052.db2.gz ZFWSXYHHNIWRLM-UHFFFAOYSA-N 0 0 445.862 5.430 1 0 IKAFRN COc1cc(/C=C2\CCCN3CC[C@H](c4ccc(F)cc4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095594549 563191103 /nfs/dbraw/zinc/19/11/03/563191103.db2.gz RCGSXNNEINRPEU-JRXNCPAPSA-N 0 0 446.526 5.283 1 0 IKAFRN CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cccnc1)c1ccc(C(C)(C)C)cc1 ZINC000095594762 563191136 /nfs/dbraw/zinc/19/11/36/563191136.db2.gz NSXLEFPJMRRSKS-HSZRJFAPSA-N 0 0 444.579 5.077 1 0 IKAFRN Clc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000095595775 563191381 /nfs/dbraw/zinc/19/13/81/563191381.db2.gz HRCMMCKHIBKIGN-WIOPSUGQSA-N 0 0 441.987 6.992 1 0 IKAFRN CCCOc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)cc1 ZINC000095596281 563191519 /nfs/dbraw/zinc/19/15/19/563191519.db2.gz WWVZAKXBKMDHSV-UHFFFAOYSA-N 0 0 444.918 6.096 1 0 IKAFRN CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccncc1)c1ccc(C(C)(C)C)cc1 ZINC000095596766 563191620 /nfs/dbraw/zinc/19/16/20/563191620.db2.gz VWZQHFKHVJOHQH-HSZRJFAPSA-N 0 0 444.579 5.077 1 0 IKAFRN O=c1c2ccccc2sn1[C@@H](CCc1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000095596861 563191687 /nfs/dbraw/zinc/19/16/87/563191687.db2.gz YHNAIKGRBDASLP-FQEVSTJZSA-N 0 0 447.947 5.989 1 0 IKAFRN CCOc1ccc(-c2nnc([C@@H](Cc3ccccc3)n3sc4ccccc4c3=O)o2)cc1 ZINC000095597070 563191793 /nfs/dbraw/zinc/19/17/93/563191793.db2.gz GWLYSONRQIRTDP-OAQYLSRUSA-N 0 0 443.528 5.344 1 0 IKAFRN COc1cc(Sc2c3ccccc3[nH]c2-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000095597532 563191897 /nfs/dbraw/zinc/19/18/97/563191897.db2.gz FFFOSHMSQCOLBX-UHFFFAOYSA-N 0 0 425.937 6.665 1 0 IKAFRN Cc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(-c3ccccc3)nc12 ZINC000095598911 563192221 /nfs/dbraw/zinc/19/22/21/563192221.db2.gz ZUPKEWXWVIVAHR-UHFFFAOYSA-N 0 0 445.282 6.682 3 0 IKAFRN COc1ccc([C@H](C(=O)Nc2c(C)cccc2C)N2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000095598988 563192356 /nfs/dbraw/zinc/19/23/56/563192356.db2.gz ZZIVHQFJOFEFFT-HHHXNRCGSA-N 0 0 443.591 5.122 3 0 IKAFRN O=C([C@H](Nc1ccccc1F)c1cc2ccccc2s1)N1CCC[C@@H]1c1cccnc1 ZINC000095601526 563192860 /nfs/dbraw/zinc/19/28/60/563192860.db2.gz GWVXTQJIYAYAEZ-ZJSXRUAMSA-N 0 0 431.536 5.952 1 0 IKAFRN 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C[C@@H](Oc1c(Cl)cccc1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000095604386 563193705 /nfs/dbraw/zinc/19/37/05/563193705.db2.gz KZGJTHBUENTSJX-GFCCVEGCSA-N 0 0 428.275 5.603 1 0 IKAFRN FC(F)(F)c1ccccc1Cc1c(-c2cccc(Cl)c2)nc2c3ccccc3ccn12 ZINC000095604366 563193737 /nfs/dbraw/zinc/19/37/37/563193737.db2.gz WRMIDFUXVGEQBB-UHFFFAOYSA-N 0 0 436.864 7.418 3 0 IKAFRN COC(=O)c1ccccc1-c1ccc(CSc2nc(C(C)C)nc3ccccc32)cc1 ZINC000095604785 563193794 /nfs/dbraw/zinc/19/37/94/563193794.db2.gz LLGWUTZREQDEOO-UHFFFAOYSA-N 0 0 428.557 6.499 1 0 IKAFRN COc1ccccc1Cc1c(-c2cccc(Cl)c2)nc2c(C)cc(Br)cn12 ZINC000095605418 563193959 /nfs/dbraw/zinc/19/39/59/563193959.db2.gz FDZRXKAESUCEMV-UHFFFAOYSA-N 0 0 441.756 6.325 3 0 IKAFRN C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000095605562 563194053 /nfs/dbraw/zinc/19/40/53/563194053.db2.gz XQDNYWOUGDXBJB-HNNXBMFYSA-N 0 0 443.890 6.102 1 0 IKAFRN O=C(CCc1nc(CO)c(CCc2ccccc2)s1)CSCCCc1ccccc1 ZINC000096142543 563195136 /nfs/dbraw/zinc/19/51/36/563195136.db2.gz BHWALCRDMQICAS-UHFFFAOYSA-N 0 0 439.646 5.288 1 0 IKAFRN O=c1c(CNc2ncnc3cc(F)ccc32)cn(-c2ccccc2)c2cc(Cl)ccc12 ZINC000096170264 563195594 /nfs/dbraw/zinc/19/55/94/563195594.db2.gz OSYLIHQCWGBAND-UHFFFAOYSA-N 0 0 430.870 5.339 1 0 IKAFRN CCN(c1c(OC)nn2c(-c3c(OC)cc(COC)cc3OC)csc12)C1CCCC1 ZINC000096172600 563195713 /nfs/dbraw/zinc/19/57/13/563195713.db2.gz NCWBJLHWWRFVQS-UHFFFAOYSA-N 0 0 445.585 5.004 1 0 IKAFRN O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1nc3ccccc3s1)CC2 ZINC000096173089 563195760 /nfs/dbraw/zinc/19/57/60/563195760.db2.gz UDEVJXZAPAEOER-UHFFFAOYSA-N 0 0 430.577 5.187 1 0 IKAFRN O=C1CCCC2(CCN(c3nc4ccc(Cl)cc4o3)CC2)N1Cc1cccc2[nH]ccc21 ZINC000096173177 563195883 /nfs/dbraw/zinc/19/58/83/563195883.db2.gz CFOAWEGRMUFFPB-UHFFFAOYSA-N 0 0 448.954 5.514 1 0 IKAFRN COc1ccccc1[C@H]1c2c(n[nH]c2C2CC2)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177091 563196333 /nfs/dbraw/zinc/19/63/33/563196333.db2.gz AQUTUFGFJLCBPZ-DEOSSOPVSA-N 0 0 427.529 5.774 1 0 IKAFRN COc1ccc(-c2[nH]nc3c2[C@H](C2CCCCC2)N(c2ccc4[nH]ccc4c2)C3=O)cc1 ZINC000096177063 563196347 /nfs/dbraw/zinc/19/63/47/563196347.db2.gz SEESTDWSGXROMT-VWLOTQADSA-N 0 0 426.520 5.848 1 0 IKAFRN COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000096177211 563196431 /nfs/dbraw/zinc/19/64/31/563196431.db2.gz ZBGOUGRLAHUUQI-QHCPKHFHSA-N 0 0 427.504 5.726 1 0 IKAFRN COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccn2C)cc1 ZINC000096177213 563196443 /nfs/dbraw/zinc/19/64/43/563196443.db2.gz JQYMLKCSVZQTPC-DEOSSOPVSA-N 0 0 440.547 5.471 1 0 IKAFRN COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)nc1 ZINC000096177261 563196446 /nfs/dbraw/zinc/19/64/46/563196446.db2.gz OIYJBJCEAHVBNG-QFIPXVFZSA-N 0 0 444.560 5.589 1 0 IKAFRN CC[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CC)(c2ccccc2)OC1=O ZINC000096178524 563196522 /nfs/dbraw/zinc/19/65/22/563196522.db2.gz XUUNWJJVQNZHOV-RPLLCQBOSA-N 0 0 430.548 5.651 1 0 IKAFRN CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(C2(CO)CC2)cc1 ZINC000096269955 563196647 /nfs/dbraw/zinc/19/66/47/563196647.db2.gz UVSUNVZNTGPDOF-UHFFFAOYSA-N 0 0 431.536 5.839 1 0 IKAFRN Cc1noc2c1-c1sc(C)c(C)c1C(c1ccc(Cl)cc1)=N[C@H]2Cc1nccs1 ZINC000096284462 563197276 /nfs/dbraw/zinc/19/72/76/563197276.db2.gz PPRZAKUOTSYDCL-INIZCTEOSA-N 0 0 439.993 6.573 1 0 IKAFRN CC(C)c1[nH+]ccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@@H]1CC(=O)[O-] ZINC000096305020 563197340 /nfs/dbraw/zinc/19/73/40/563197340.db2.gz LUZBJNWFEDHIPR-GFCCVEGCSA-N 0 0 435.376 6.580 1 0 IKAFRN CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000096905778 563197572 /nfs/dbraw/zinc/19/75/72/563197572.db2.gz QTOSHZSDFDEDQX-RUZDIDTESA-N 0 0 442.469 5.515 1 0 IKAFRN CC(C)(C)c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2ccccc2O)c1 ZINC000096927427 563198127 /nfs/dbraw/zinc/19/81/27/563198127.db2.gz CTPJGZLYIUBHAV-UHFFFAOYSA-N 0 0 425.557 6.795 1 0 IKAFRN Fc1ccc(-c2nc3ccc(-c4ccsc4)nn3c2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000096927440 563198136 /nfs/dbraw/zinc/19/81/36/563198136.db2.gz PGXHUXOHSVQFKN-UHFFFAOYSA-N 0 0 447.538 7.598 1 0 IKAFRN Fc1ccc(-c2nc3ccc(N4CCOCC4)cn3c2-c2cccc(-c3ccccc3)c2)cc1 ZINC000096927589 563198182 /nfs/dbraw/zinc/19/81/82/563198182.db2.gz JGVRXBMLQAVQAU-UHFFFAOYSA-N 0 0 449.529 6.311 1 0 IKAFRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1cnc2cc3ccccc3cc21 ZINC000096927796 563198190 /nfs/dbraw/zinc/19/81/90/563198190.db2.gz GIZKEXBZQCDPAD-OPXRDTOJSA-N 0 0 438.615 6.964 1 0 IKAFRN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC(=S)Nc2ccc(F)cc2)cc1 ZINC000096937810 563199661 /nfs/dbraw/zinc/19/96/61/563199661.db2.gz UFTGPKOELOXALO-UHFFFAOYSA-N 0 0 430.508 5.114 1 0 IKAFRN COc1cccc(NC[C@H](F)Cn2c3ccccc3c3cc(Br)ccc32)c1 ZINC000096938607 563199805 /nfs/dbraw/zinc/19/98/05/563199805.db2.gz GMKFBPDMTLMJFO-INIZCTEOSA-N 0 0 427.317 6.016 1 0 IKAFRN CSc1nc(Nc2ccc3[nH]cnc3c2)nc(Nc2ccc3nc(C)cc(C)c3c2)n1 ZINC000098081942 563200478 /nfs/dbraw/zinc/20/04/78/563200478.db2.gz WMYUATNLWHZESU-UHFFFAOYSA-N 0 0 428.525 5.122 1 0 IKAFRN O=C1CCS[C@H](c2ccccc2F)N1CCCNc1ccnc2cc(Cl)ccc21 ZINC000098082200 563200520 /nfs/dbraw/zinc/20/05/20/563200520.db2.gz RVNTXHHIMGEMRS-JOCHJYFZSA-N 0 0 429.948 5.494 1 0 IKAFRN CN1C(=O)CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)NC(C)(C)CC(C)(C)C)[C@@]3(C)CC[C@@H]12 ZINC000098082286 563200541 /nfs/dbraw/zinc/20/05/41/563200541.db2.gz NCKLYMMMISTJDG-POCDESFWSA-N 0 0 444.704 5.797 1 0 IKAFRN Fc1cccc(F)c1[C@@H]1CC(c2ccccc2)=NN1C1=N[C@@H](c2ccc(Cl)cc2)S1 ZINC000098082418 563200550 /nfs/dbraw/zinc/20/05/50/563200550.db2.gz XKLRBFQNPLLWLO-RBBKRZOGSA-N 0 0 439.918 6.571 1 0 IKAFRN Fc1cccc(F)c1[C@H]1CC(c2ccccc2)=NN1C1=N[C@H](c2ccc(Cl)cc2)S1 ZINC000098082417 563200584 /nfs/dbraw/zinc/20/05/84/563200584.db2.gz XKLRBFQNPLLWLO-IRLDBZIGSA-N 0 0 439.918 6.571 1 0 IKAFRN Fc1cccc(F)c1[C@@H]1CC(c2ccccc2)=NN1C1=N[C@H](c2ccc(Cl)cc2)S1 ZINC000098082416 563200595 /nfs/dbraw/zinc/20/05/95/563200595.db2.gz XKLRBFQNPLLWLO-UNMCSNQZSA-N 0 0 439.918 6.571 1 0 IKAFRN Cn1cc(CCCNC(=O)CCc2c[nH]c3ccc(Cl)cc23)c2cc(Cl)ccc21 ZINC000098082614 563200622 /nfs/dbraw/zinc/20/06/22/563200622.db2.gz QKRXUTQOBAYMNK-UHFFFAOYSA-N 0 0 428.363 5.648 1 0 IKAFRN Cn1cc(CCC(=O)NCCCc2c[nH]c3ccc(Cl)cc23)c2cc(Cl)ccc21 ZINC000098082615 563200695 /nfs/dbraw/zinc/20/06/95/563200695.db2.gz KUCGHXAATHVXMU-UHFFFAOYSA-N 0 0 428.363 5.648 1 0 IKAFRN CC1(C)CC[C@@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC4 ZINC000013370664 571697956 /nfs/dbraw/zinc/69/79/56/571697956.db2.gz MCSMMGJCXCBSKD-JGZWOKGSSA-N 0 0 426.729 8.313 1 0 endogenous,in-man IKAFRN C[C@H]1[C@@H]2[C@@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@@]2(C)CC[C@@]1(C)O ZINC000014720085 571721490 /nfs/dbraw/zinc/72/14/90/571721490.db2.gz VCUCVBNQZJFUDR-JDQHFOICSA-N 0 0 442.728 7.428 1 0 endogenous,in-man IKAFRN CC1=CC[C@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C ZINC000014720192 571721551 /nfs/dbraw/zinc/72/15/51/571721551.db2.gz NGFFRJBGMSPDMS-IWWNDZEZSA-N 0 0 426.729 8.025 1 0 endogenous,in-man IKAFRN CC1(C)CC[C@@]2(CO)CC=C3[C@]4(C)CC[C@@H]5C(C)(C)[C@@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000014720320 571722177 /nfs/dbraw/zinc/72/21/77/571722177.db2.gz RJAKLUPHSBOQNU-AKIVNEAWSA-N 0 0 442.728 7.141 1 0 endogenous,in-man IKAFRN CC1(C)CC[C@@]2(O)C(=O)C[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000015105339 571730599 /nfs/dbraw/zinc/73/05/99/571730599.db2.gz DNIUVLCJWDCWGK-DWDRAWMCSA-N 0 0 442.684 6.073 1 0 endogenous,in-man IKAFRN CC1(C)CC[C@]2(O)C(=O)C[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000015105341 571730772 /nfs/dbraw/zinc/73/07/72/571730772.db2.gz DNIUVLCJWDCWGK-PSCVGDQSSA-N 0 0 442.684 6.073 1 0 endogenous,in-man IKAFRN CC1(C)CC[C@@]2(O)C(=O)C[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000015105351 571730776 /nfs/dbraw/zinc/73/07/76/571730776.db2.gz 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442.728 7.140 1 0 endogenous,in-man IKAFRN C[C@@H]1[C@H](O)CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000100779584 571831234 /nfs/dbraw/zinc/83/12/34/571831234.db2.gz KUBDEHGZXKPATK-IGPPFGEHSA-N 0 0 428.701 7.038 1 0 endogenous,in-man IKAFRN C[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C ZINC000100779567 571831250 /nfs/dbraw/zinc/83/12/50/571831250.db2.gz YEVQBJVJPQFPNE-WLTILWEOSA-N 0 0 426.729 8.313 1 0 endogenous,in-man IKAFRN C[C@@H]1CC[C@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C ZINC000100779572 571831362 /nfs/dbraw/zinc/83/13/62/571831362.db2.gz YEVQBJVJPQFPNE-HCXQOBCKSA-N 0 0 426.729 8.313 1 0 endogenous,in-man IKAFRN CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(O)C=C[C@@]2(O)C[C@@H](O)CC[C@]12C ZINC000118937302 571848517 /nfs/dbraw/zinc/84/85/17/571848517.db2.gz UPJVQRZPXLZUET-WHKWEJQUSA-N 0 0 430.673 5.496 1 0 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562949540 /nfs/dbraw/zinc/94/95/40/562949540.db2.gz NESXBRNDMQUVNG-UHFFFAOYSA-N 0 0 449.436 5.862 1 0 in-vivo IKAFRN Cc1cccc(NC(=O)N2CC(=O)Nc3sc4c(c3[C@H]2c2ccccc2)CCCC4)c1C ZINC000008587662 562950386 /nfs/dbraw/zinc/95/03/86/562950386.db2.gz BXRGFWQMJXBDOW-XMMPIXPASA-N 0 0 445.588 5.819 1 0 IKAFRN COc1ccc(-c2cn3c4ccc(C(=O)NCCc5ccccc5)cc4sc3n2)cc1 ZINC000008588693 562950806 /nfs/dbraw/zinc/95/08/06/562950806.db2.gz LDNCGUGUXQXMFY-UHFFFAOYSA-N 0 0 427.529 5.197 1 0 IKAFRN CCC1=Nc2cc(C(=O)NCCCOC)ccc2Sc2ccc(Br)cc21 ZINC000008594673 562953086 /nfs/dbraw/zinc/95/30/86/562953086.db2.gz RWEFMNJAHLYNRC-UHFFFAOYSA-N 0 0 433.371 5.211 1 0 IKAFRN CCN1c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2Sc2ccccc2C1=O ZINC000008600668 562955128 /nfs/dbraw/zinc/95/51/28/562955128.db2.gz KOQWLWFATUODIO-UHFFFAOYSA-N 0 0 438.936 5.489 1 0 aggregator IKAFRN Cc1nn(-c2cccc(Cl)c2C)c2c1c(C)cc(=O)n2CC(=O)Nc1c(C)cccc1C ZINC000008604067 562956238 /nfs/dbraw/zinc/95/62/38/562956238.db2.gz RYKQJOMGVIILPC-UHFFFAOYSA-N 0 0 448.954 5.021 1 0 IKAFRN Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2Cc1nc(-c2cc(C)ccc2C)oc1C ZINC000008605712 562956824 /nfs/dbraw/zinc/95/68/24/562956824.db2.gz CQVYULUSLXTSAG-UHFFFAOYSA-N 0 0 438.531 5.339 1 0 IKAFRN Cc1nn(-c2ccccc2)c2c1c(C)cc(=O)n2Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000008605772 562956874 /nfs/dbraw/zinc/95/68/74/562956874.db2.gz TUKOLTZYSFPFSZ-UHFFFAOYSA-N 0 0 444.922 5.469 1 0 IKAFRN Cc1ccc(CNC(=O)c2ccc(N3Cc4ccccc4Oc4ncccc43)s2)cc1 ZINC000008610293 562958101 /nfs/dbraw/zinc/95/81/01/562958101.db2.gz ZHJSWLFFYPYFMN-UHFFFAOYSA-N 0 0 427.529 5.826 1 0 aggregator IKAFRN CCC[C@@H]1C[C@@]1(CCC)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1 ZINC000008628791 562960052 /nfs/dbraw/zinc/96/00/52/562960052.db2.gz DDTBFBGMUOTQFO-ONDZYYNLSA-N 0 0 446.034 8.085 1 0 IKAFRN CC[C@@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1 ZINC000008666712 562960536 /nfs/dbraw/zinc/96/05/36/562960536.db2.gz NVYDCHTVFYTJGZ-LLVKDONJSA-N 0 0 432.571 5.320 3 0 IKAFRN CCOc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1 ZINC000008666544 562960540 /nfs/dbraw/zinc/96/05/40/562960540.db2.gz ZVDYTMSIBHJYLK-UHFFFAOYSA-N 0 0 426.523 5.563 3 0 aggregator IKAFRN CCCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(Cl)ccc3C)n2)s1 ZINC000008672438 562961066 /nfs/dbraw/zinc/96/10/66/562961066.db2.gz SUJPMPMXQFHKGP-UHFFFAOYSA-N 0 0 449.045 7.189 3 0 IKAFRN CCC/C=C(\CCC)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000008829592 562964653 /nfs/dbraw/zinc/96/46/53/562964653.db2.gz UMLSDBMFYOPPOU-KRWRZEAGSA-N 0 0 425.516 6.252 3 0 IKAFRN COc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)c1 ZINC000009432941 562970753 /nfs/dbraw/zinc/97/07/53/562970753.db2.gz JXHFUHHVXWYURH-DHIUTWEWSA-N 0 0 434.561 5.332 1 0 IKAFRN COc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009432911 562970755 /nfs/dbraw/zinc/97/07/55/562970755.db2.gz ANPNIFWTGGJAOZ-XZOQPEGZSA-N 0 0 434.561 5.332 1 0 IKAFRN CC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 ZINC000009433251 562970859 /nfs/dbraw/zinc/97/08/59/562970859.db2.gz BXOLYWPJAPOLPY-DNQXCXABSA-N 0 0 446.572 5.526 1 0 IKAFRN CCc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433628 562971009 /nfs/dbraw/zinc/97/10/09/562971009.db2.gz GTJDTDXOZNRPHG-JWQCQUIFSA-N 0 0 444.600 6.173 1 0 IKAFRN CC(=O)Nc1ccc(NC(=O)Cc2sc(-c3cccnc3)nc2-c2ccc(C)cc2)cc1 ZINC000009613339 562974259 /nfs/dbraw/zinc/97/42/59/562974259.db2.gz RQKVYWZLGPDISA-UHFFFAOYSA-N 0 0 442.544 5.320 3 0 IKAFRN COc1ccc(-c2nc3cc(C)ccc3cc2CN(C(=O)c2ccco2)C2CC2)cc1OC ZINC000011912342 562979794 /nfs/dbraw/zinc/97/97/94/562979794.db2.gz RHPNDPSWPBLNMH-UHFFFAOYSA-N 0 0 442.515 5.625 1 0 IKAFRN Cc1ccc(C(=O)Nc2cccc(-c3nc(CNC(=O)C4CCCCC4)c(C)o3)c2)s1 ZINC000011979496 562980085 /nfs/dbraw/zinc/98/00/85/562980085.db2.gz BYHKSSFQZVYJSG-UHFFFAOYSA-N 0 0 437.565 5.469 1 0 IKAFRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 ZINC000012248402 562980944 /nfs/dbraw/zinc/98/09/44/562980944.db2.gz VBUQXUOLURWKQH-UHFFFAOYSA-N 0 0 431.355 5.772 1 0 IKAFRN COc1ccc(-c2nc3c(s2)CCc2onc(-c4ccc(Br)cc4)c2-3)cc1 ZINC000012477370 562982298 /nfs/dbraw/zinc/98/22/98/562982298.db2.gz TUGOBVVEBQBZCB-UHFFFAOYSA-N 0 0 439.334 6.002 3 0 IKAFRN Cc1csc(N[C@H](C)c2nc3cc(Cl)c(Cl)cc3n2Cc2ccc(C)cc2)n1 ZINC000012489914 562982492 /nfs/dbraw/zinc/98/24/92/562982492.db2.gz VPFQGZVODYOEOU-CQSZACIVSA-N 0 0 431.392 6.638 3 0 IKAFRN Cc1cc(C)cc(SCc2noc(C(=O)NCCC(C)C)c2C(=O)NCCC(C)C)c1 ZINC000012726135 562983093 /nfs/dbraw/zinc/98/30/93/562983093.db2.gz QCCHRJICYRSHNU-UHFFFAOYSA-N 0 0 445.629 5.136 3 0 IKAFRN OCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 ZINC000012943484 562983610 /nfs/dbraw/zinc/98/36/10/562983610.db2.gz VWHWBZIOTDAZAF-UHFFFAOYSA-N 0 0 425.532 5.804 1 0 IKAFRN COc1c(CC=C(C)C)cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(CC=C(C)C)c1O ZINC000013132755 562985031 /nfs/dbraw/zinc/98/50/31/562985031.db2.gz RYBGOKVPJPOMQW-QFIPXVFZSA-N 0 0 438.520 5.536 3 0 IKAFRN COc1ccc([C@@H]2CC(=O)c3cc(CC=C(C)C)c4c(c3O2)C=CC(C)(C)O4)cc1OC ZINC000013339867 562985802 /nfs/dbraw/zinc/98/58/02/562985802.db2.gz KJBZFWLVOZNDBN-QHCPKHFHSA-N 0 0 434.532 6.103 1 0 in-vitro IKAFRN COc1cc(Cn2c3ccccc3c3cc(C=O)cc(OC)c32)cc2c3ccccc3[nH]c21 ZINC000013378347 562985853 /nfs/dbraw/zinc/98/58/53/562985853.db2.gz KFJHFCIOEPNXMD-UHFFFAOYSA-N 0 0 434.495 6.307 1 0 IKAFRN FC(F)Oc1ccc([C@H](Cc2ccncc2)c2ccc(Cl)cc2)cc1OC(F)F ZINC000013442069 562986500 /nfs/dbraw/zinc/98/65/00/562986500.db2.gz SXGLZTUYFZBGOK-QGZVFWFLSA-N 0 0 425.809 6.312 1 0 IKAFRN COc1ccc([C@H](Cc2ccncc2)c2cccc(NC(N)=O)c2)cc1OC1CCCC1 ZINC000013442025 562986508 /nfs/dbraw/zinc/98/65/08/562986508.db2.gz HXZRMELKVREISO-HSZRJFAPSA-N 0 0 431.536 5.277 1 0 IKAFRN COc1cc(F)c([C@@H](Cc2ccncc2)c2ccc(Cl)cc2)cc1OC1CCCC1 ZINC000013442055 562986513 /nfs/dbraw/zinc/98/65/13/562986513.db2.gz SYIRBUOZSOCAML-NRFANRHFSA-N 0 0 425.931 6.579 1 0 IKAFRN FC(F)Oc1ccc([C@@H](Cc2ccncc2)c2ccc(Cl)cc2)cc1OC1CCCC1 ZINC000013442063 562986529 /nfs/dbraw/zinc/98/65/29/562986529.db2.gz UQVHAWXUKZRMTH-QFIPXVFZSA-N 0 0 443.921 7.032 1 0 IKAFRN CC(=O)N1CCc2c(sc(N(CC(C)C)CC(C)C)c2C(=O)c2ccccc2Cl)C1 ZINC000013442735 562986590 /nfs/dbraw/zinc/98/65/90/562986590.db2.gz SHNHJKSOIKOYKB-UHFFFAOYSA-N 0 0 447.044 5.656 1 0 IKAFRN CN(C(=O)c1ccccc1)c1cc(C(=O)NC2CCCCC2)ccc1-c1ccc(F)cc1 ZINC000013444942 562986823 /nfs/dbraw/zinc/98/68/23/562986823.db2.gz PAYFXMBBNMGHKZ-UHFFFAOYSA-N 0 0 430.523 5.832 1 0 IKAFRN CCCCCc1cc(OCCN2CCOCC2)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 ZINC000013446968 562987050 /nfs/dbraw/zinc/98/70/50/562987050.db2.gz CSZHPJDQORYZKU-DHIUTWEWSA-N 0 0 427.629 5.741 1 0 IKAFRN CCCCN(CC)c1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 ZINC000013794526 563007129 /nfs/dbraw/zinc/00/71/29/563007129.db2.gz HMLCDCVNIHLWSH-UHFFFAOYSA-N 0 0 434.426 5.850 1 0 IKAFRN CC(C)CC(C/C=C1/C[C@](CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C ZINC000013470405 562987687 /nfs/dbraw/zinc/98/76/87/562987687.db2.gz PKVDZHIWRHABMS-DRBHLBEGSA-N 0 0 438.649 5.551 1 0 IKAFRN COc1cc(CCCCCCC[C@@H](C)CC[C@@H](O)c2cccs2)cc(OC)c1OC ZINC000013473257 562988251 /nfs/dbraw/zinc/98/82/51/562988251.db2.gz WKHDMCCYYYTPGK-TZIWHRDSSA-N 0 0 434.642 6.807 1 0 IKAFRN CC(=O)n1c2ccccc2c2c1CN(CCCC[C@]13CCCc4cccc(c41)NC3=O)CC2 ZINC000013473730 562988404 /nfs/dbraw/zinc/98/84/04/562988404.db2.gz FNLVSYVCTGWSJL-NDEPHWFRSA-N 0 0 441.575 5.056 1 0 IKAFRN C[S@@](=O)c1cccc(CSc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)c1 ZINC000013474288 562988740 /nfs/dbraw/zinc/98/87/40/562988740.db2.gz LMTKLNLLCGIZBN-PMERELPUSA-N 0 0 435.549 5.374 1 0 IKAFRN CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2[C@@H]1O3 ZINC000013474843 562988790 /nfs/dbraw/zinc/98/87/90/562988790.db2.gz COXRSODPRFBGSM-DEOSSOPVSA-N 0 0 436.577 5.468 1 0 IKAFRN CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000013475562 562988895 /nfs/dbraw/zinc/98/88/95/562988895.db2.gz FEARCXYRCLNTRM-JGDYFIEFSA-N 0 0 433.633 6.025 1 0 IKAFRN COc1cc(CNC(=O)[C@@]2(C)CCC[C@]3(C)[C@H]4CCC(C(C)C)=CC4=CC[C@H]32)ccc1O ZINC000013475577 562988908 /nfs/dbraw/zinc/98/89/08/562988908.db2.gz LNHRUFILTKXMCT-CEYYOHNYSA-N 0 0 437.624 6.152 1 0 IKAFRN CCc1nc2c(nccc2-c2ccc(C(F)(F)F)cc2Cl)n1[C@H](CC)CCOC ZINC000013479597 562989287 /nfs/dbraw/zinc/98/92/87/562989287.db2.gz LAVLZQNQFFTQDT-CQSZACIVSA-N 0 0 425.882 6.321 1 0 IKAFRN COC(=O)c1cc(-c2cccc(F)c2)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487097 562989344 /nfs/dbraw/zinc/98/93/44/562989344.db2.gz GVBFFXLPWQQTCR-UHFFFAOYSA-N 0 0 445.277 5.947 1 0 IKAFRN COc1cc(-c2ccc(F)cc2F)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487113 562989351 /nfs/dbraw/zinc/98/93/51/562989351.db2.gz FCDOVDMDLZRXCB-UHFFFAOYSA-N 0 0 435.257 6.309 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2cc(Cl)cc(Cl)c2)cc1 ZINC000013487280 562989354 /nfs/dbraw/zinc/98/93/54/562989354.db2.gz ANWKVGWXYDYXDA-UHFFFAOYSA-N 0 0 445.323 5.837 1 0 IKAFRN COC(=O)c1cc(-c2ccc(F)cc2)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487098 562989361 /nfs/dbraw/zinc/98/93/61/562989361.db2.gz NWKSHBUEWYUFRP-UHFFFAOYSA-N 0 0 445.277 5.947 1 0 IKAFRN Nc1ccn2c(nc(-c3ccccc3)c2-c2ccnc(N[C@H]3CCCc4ccccc43)c2)n1 ZINC000013487229 562989364 /nfs/dbraw/zinc/98/93/64/562989364.db2.gz WQKREPZMMAPYRS-QFIPXVFZSA-N 0 0 432.531 5.530 1 0 IKAFRN Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1 ZINC000013487946 562989589 /nfs/dbraw/zinc/98/95/89/562989589.db2.gz QQSBXPRUMHEDAZ-UHFFFAOYSA-N 0 0 427.479 5.461 1 0 IKAFRN COc1cc(CC[C@H](CCc2ccccc2)OC(=S)NCCc2ccccc2)ccc1O ZINC000013489519 562989887 /nfs/dbraw/zinc/98/98/87/562989887.db2.gz VUWXZDPCOJSJEV-DEOSSOPVSA-N 0 0 449.616 5.469 1 0 IKAFRN CCOc1cc2ncnc(Nc3cccc(-c4csc(N(C)C)n4)c3)c2cc1OCC ZINC000013490779 562990254 /nfs/dbraw/zinc/99/02/54/562990254.db2.gz IUXLSLNUJLHTAC-UHFFFAOYSA-N 0 0 435.553 5.360 1 0 IKAFRN CCOc1cc2nc(CC)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490817 562990280 /nfs/dbraw/zinc/99/02/80/562990280.db2.gz JXZOGXXITGINEQ-UHFFFAOYSA-N 0 0 434.565 6.165 1 0 IKAFRN CCOc1cc2nc(CC(C)C)nc(Nc3cccc(Br)c3)c2cc1OCC ZINC000013490838 562990284 /nfs/dbraw/zinc/99/02/84/562990284.db2.gz MDOWTIDDKKNVDN-UHFFFAOYSA-N 0 0 444.373 6.132 1 0 IKAFRN CCOc1cc2ncnc(Nc3cc(-c4csc(C)n4)ccc3CC)c2cc1OCC ZINC000013490814 562990298 /nfs/dbraw/zinc/99/02/98/562990298.db2.gz NPYYQKQIKAKJCL-UHFFFAOYSA-N 0 0 434.565 6.165 1 0 IKAFRN CCC[C@H](O)CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1 ZINC000013490925 562990355 /nfs/dbraw/zinc/99/03/55/562990355.db2.gz SHPZIIKLLBPVTQ-NRFANRHFSA-N 0 0 445.481 6.545 1 0 IKAFRN CCOc1cccc(CN(C[C@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490901 562990385 /nfs/dbraw/zinc/99/03/85/562990385.db2.gz HRWJIDJGKLAPHP-QHCPKHFHSA-N 0 0 431.454 5.807 1 0 IKAFRN CCOc1cccc(CN(C[C@@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490900 562990387 /nfs/dbraw/zinc/99/03/87/562990387.db2.gz HRWJIDJGKLAPHP-HSZRJFAPSA-N 0 0 431.454 5.807 1 0 IKAFRN CC(C)CCOC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1 ZINC000013493165 562990866 /nfs/dbraw/zinc/99/08/66/562990866.db2.gz DIEZILNYPVLVLJ-UHFFFAOYSA-N 0 0 431.532 5.983 1 0 IKAFRN O=C(Cc1ccc2ccccc2c1)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000013493820 562990909 /nfs/dbraw/zinc/99/09/09/562990909.db2.gz CVOIMSUWBGEDSR-UHFFFAOYSA-N 0 0 449.337 6.580 1 0 IKAFRN Nc1sc(Br)c(-c2ccc(C(F)(F)F)cc2)c1C(=O)c1ccccc1 ZINC000013518383 562991179 /nfs/dbraw/zinc/99/11/79/562991179.db2.gz HASMWTVLMNBFSX-UHFFFAOYSA-N 0 0 426.257 6.010 1 0 IKAFRN CC(C)(C)OC(=O)n1c2ccc(Br)cc2c2c1-c1ccccc1NC(=O)C2 ZINC000013532026 562992107 /nfs/dbraw/zinc/99/21/07/562992107.db2.gz XHZYYJIRPPAMPY-UHFFFAOYSA-N 0 0 427.298 5.349 1 0 IKAFRN Cc1cc(C)c(NC(=O)c2ccc3[nH]c(=NC(=O)OC(C)(C)C)sc3c2Cl)c(C)c1 ZINC000013533815 562992109 /nfs/dbraw/zinc/99/21/09/562992109.db2.gz LUQZDCVQCOVTRY-UHFFFAOYSA-N 0 0 445.972 6.474 1 0 IKAFRN COc1cc(C(=O)Nc2c(C)cc(C)cc2C)nc2sc(=NC(=O)OC(C)(C)C)[nH]c21 ZINC000013533827 562992238 /nfs/dbraw/zinc/99/22/38/562992238.db2.gz PNRAZKPPAHNLHS-UHFFFAOYSA-N 0 0 442.541 5.224 1 0 IKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NCc3ccco3)sc2c1 ZINC000013534052 562992276 /nfs/dbraw/zinc/99/22/76/562992276.db2.gz LRYNHQFSDOVYAN-UHFFFAOYSA-N 0 0 440.912 5.425 1 0 IKAFRN S=c1[nH]c(-c2ccc(Cl)cc2Cl)nn1Cc1cccc(Oc2ccccc2)c1 ZINC000013536896 562992399 /nfs/dbraw/zinc/99/23/99/562992399.db2.gz VGWBEDMOOQUIKD-UHFFFAOYSA-N 0 0 428.344 6.381 1 0 IKAFRN CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(Cc2ccccc2)c1=O ZINC000013536140 562992426 /nfs/dbraw/zinc/99/24/26/562992426.db2.gz QDLVCRZFBHDMOU-UHFFFAOYSA-N 0 0 433.596 5.519 1 0 IKAFRN Cc1cccc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c12 ZINC000013538328 562992604 /nfs/dbraw/zinc/99/26/04/562992604.db2.gz NLPNIUVVCDHSBA-UHFFFAOYSA-N 0 0 439.519 5.085 1 0 IKAFRN CCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(CC)c21 ZINC000013553392 562992858 /nfs/dbraw/zinc/99/28/58/562992858.db2.gz CDTWBJRLECMRNA-UHFFFAOYSA-N 0 0 433.427 7.140 1 0 IKAFRN CCCCCN(CCCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553423 562992883 /nfs/dbraw/zinc/99/28/83/562992883.db2.gz WJRNESDDMLZGJN-UHFFFAOYSA-N 0 0 433.427 7.047 1 0 IKAFRN CCCCCN(CCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553430 562992890 /nfs/dbraw/zinc/99/28/90/562992890.db2.gz WGTOQDCUQGARDR-UHFFFAOYSA-N 0 0 435.399 5.894 1 0 IKAFRN CCCCN(C[C@@H]1CCCO1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553437 562992910 /nfs/dbraw/zinc/99/29/10/562992910.db2.gz MAQVSDVHYXUDFI-KRWDZBQOSA-N 0 0 447.410 6.036 1 0 IKAFRN CCCN(Cc1ccccc1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cccc12 ZINC000013553461 562992931 /nfs/dbraw/zinc/99/29/31/562992931.db2.gz BPZAIIKWRAQHRZ-UHFFFAOYSA-N 0 0 435.398 7.934 1 0 IKAFRN CCO[P@](=O)(c1ccccc1)N1CCCC(c2ccc(Cl)c(C(F)(F)F)c2)=N1 ZINC000013557138 562993308 /nfs/dbraw/zinc/99/33/08/562993308.db2.gz XTPVKHATMKPMHS-MUUNZHRXSA-N 0 0 430.794 5.714 1 0 IKAFRN CC(C)(C)c1cc(/C=C2\CCN(c3ccc(Cl)cc3)S2(=O)=O)cc(C(C)(C)C)c1O ZINC000013558271 562993604 /nfs/dbraw/zinc/99/36/04/562993604.db2.gz KYVQOTMVUACBCO-CPNJWEJPSA-N 0 0 448.028 6.222 1 0 IKAFRN COC(=O)c1ccc(/C=C/[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1 ZINC000013558851 562993608 /nfs/dbraw/zinc/99/36/08/562993608.db2.gz OAYAVEWJOXAPFQ-XSYFLQPGSA-N 0 0 432.560 5.479 1 0 IKAFRN CCCCCCN(CCCCCC)C(=O)C(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000013560041 562994102 /nfs/dbraw/zinc/99/41/02/562994102.db2.gz IMYAAECOCXULOC-UHFFFAOYSA-N 0 0 432.608 7.007 1 0 IKAFRN CSc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)c(=O)o2)cc1 ZINC000013581326 562994571 /nfs/dbraw/zinc/99/45/71/562994571.db2.gz VDKZQYMMGKZJAC-UHFFFAOYSA-N 0 0 448.565 5.766 1 0 IKAFRN CSc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(S(C)(=O)=O)cc3)c(=O)o2)cc1 ZINC000013581316 562994581 /nfs/dbraw/zinc/99/45/81/562994581.db2.gz AJZNJPCIZIZPPQ-UHFFFAOYSA-N 0 0 448.565 5.766 1 0 IKAFRN Cc1ccc2c(-c3ccnc(Nc4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nn2n1 ZINC000013582739 562994747 /nfs/dbraw/zinc/99/47/47/562994747.db2.gz PMECDIZOVNMXJD-UHFFFAOYSA-N 0 0 446.436 5.924 1 0 IKAFRN CCN(Cc1ccc(Cl)cc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn21 ZINC000013583171 562994859 /nfs/dbraw/zinc/99/48/59/562994859.db2.gz WCDPCWZRDBSBJA-UHFFFAOYSA-N 0 0 449.002 5.462 1 0 IKAFRN CCN(Cc1cccc(C)c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn21 ZINC000013583163 562994871 /nfs/dbraw/zinc/99/48/71/562994871.db2.gz CSVCVLIQSGLCHX-UHFFFAOYSA-N 0 0 428.584 5.117 1 0 IKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCc3ccccc3)[nH]c(=O)c12 ZINC000013585160 562995038 /nfs/dbraw/zinc/99/50/38/562995038.db2.gz OKEQAPZULFSRRP-UHFFFAOYSA-N 0 0 447.753 5.417 1 0 IKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(C)c3)[nH]c(=O)c12 ZINC000013585175 562995055 /nfs/dbraw/zinc/99/50/55/562995055.db2.gz XOVJPFAQAXPONH-UHFFFAOYSA-N 0 0 447.753 5.531 1 0 IKAFRN CCCC/C(=C(\c1ccccc1)c1ccc(S(C)(=O)=O)cc1)c1ccc(OC(C)=O)cc1 ZINC000013585501 562995162 /nfs/dbraw/zinc/99/51/62/562995162.db2.gz GSVYNSQUYAMYGY-RQZHXJHFSA-N 0 0 448.584 6.165 1 0 IKAFRN CCCCn1cc(C2CC[NH+](CCOc3ccccc3C(=O)[O-])CC2)c2ccc(F)cc21 ZINC000013586282 562995265 /nfs/dbraw/zinc/99/52/65/562995265.db2.gz ZMOAWDWBPDLQAJ-UHFFFAOYSA-N 0 0 438.543 5.537 1 0 IKAFRN O=C(Nc1ccccc1)c1ccc2[nH]c(-c3ccc(NC(=O)C4CCCCC4)cc3)nc2c1 ZINC000013586374 562995295 /nfs/dbraw/zinc/99/52/95/562995295.db2.gz XEMBQLUWKWGBMM-UHFFFAOYSA-N 0 0 438.531 6.001 1 0 IKAFRN O=C1NCc2nc(Sc3ccc(F)cc3F)ccc2N1c1c(Cl)cccc1Cl ZINC000013587238 562995599 /nfs/dbraw/zinc/99/55/99/562995599.db2.gz SBYHQPVTFYWZBH-UHFFFAOYSA-N 0 0 438.286 6.179 1 0 IKAFRN CCCC[C@H](NC(=O)OC(C(C)(C)C)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000013589447 562996367 /nfs/dbraw/zinc/99/63/67/562996367.db2.gz GFFCOHZURVHDPK-MJGOQNOKSA-N 0 0 432.605 5.179 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)C[C@@H](O)CC(c1ccccc1)c1ccccc1 ZINC000013600135 562996744 /nfs/dbraw/zinc/99/67/44/562996744.db2.gz VRMBKNZANICQEN-DEOSSOPVSA-N 0 0 429.604 6.845 1 0 IKAFRN O=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)Nc1ccccc1 ZINC000013607358 562997385 /nfs/dbraw/zinc/99/73/85/562997385.db2.gz WDMAUWGACDRLFF-UHFFFAOYSA-N 0 0 430.722 6.143 1 0 IKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4C)cc3)c2cc1OC ZINC000013610086 562997716 /nfs/dbraw/zinc/99/77/16/562997716.db2.gz OMPVQOOIKZDYGO-UHFFFAOYSA-N 0 0 429.476 5.997 1 0 IKAFRN CCCN(c1nc(-c2ccc(OC)cc2C)n(C)n1)[C@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000013610703 562997756 /nfs/dbraw/zinc/99/77/56/562997756.db2.gz UURGHNMLHGJHLO-OAQYLSRUSA-N 0 0 446.517 6.186 1 0 IKAFRN CCCC[C@H](c1ccc(F)cc1)N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1 ZINC000013610719 562997767 /nfs/dbraw/zinc/99/77/67/562997767.db2.gz ZPMVACUFPBEMLZ-JOCHJYFZSA-N 0 0 440.563 5.786 1 0 IKAFRN CCC[C@H](c1ccccc1)N(CCC)c1nc(-c2cc(OC)c(OC)cc2Cl)n(C)n1 ZINC000013610725 562997781 /nfs/dbraw/zinc/99/77/81/562997781.db2.gz HKCQVNFUVMJATG-HXUWFJFHSA-N 0 0 442.991 5.911 1 0 IKAFRN CCCC[C@H](c1ccccc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 ZINC000013610657 562997796 /nfs/dbraw/zinc/99/77/96/562997796.db2.gz JAMCOMRRNHWERW-OAQYLSRUSA-N 0 0 426.992 6.292 1 0 IKAFRN c1ccc(-c2nnc3c4c(c(OCc5cnc6ccccc6n5)nn23)C2CCC4CC2)cc1 ZINC000013610302 562997802 /nfs/dbraw/zinc/99/78/02/562997802.db2.gz AKDSPRXIQQMVKS-UHFFFAOYSA-N 0 0 434.503 5.068 1 0 IKAFRN CC(=O)N1c2ccc(NC(=O)Nc3ccccc3)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013611393 562997860 /nfs/dbraw/zinc/99/78/60/562997860.db2.gz NQDJRZFOTQSMOA-MHZLTWQESA-N 0 0 427.548 6.172 1 0 IKAFRN CC(=O)N1c2ccc(NC(=O)Nc3ccccc3)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000013611390 562997868 /nfs/dbraw/zinc/99/78/68/562997868.db2.gz NQDJRZFOTQSMOA-HHHXNRCGSA-N 0 0 427.548 6.172 1 0 IKAFRN O=C(NN1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000013611847 562997987 /nfs/dbraw/zinc/99/79/87/562997987.db2.gz CPZFFCWPBSKKAF-UHFFFAOYSA-N 0 0 449.769 5.630 1 0 IKAFRN CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000013634912 562998216 /nfs/dbraw/zinc/99/82/16/562998216.db2.gz WCGKQZSRGMYXIA-JTAQYXEDSA-N 0 0 449.469 5.093 3 0 IKAFRN Clc1cccc(Nc2cncc(-c3cncc(NCCCCc4ccncc4)c3)n2)c1 ZINC000013648409 562998816 /nfs/dbraw/zinc/99/88/16/562998816.db2.gz BQEIJKOXORSBIM-UHFFFAOYSA-N 0 0 430.943 5.765 1 0 IKAFRN C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C/I)[C@H]12 ZINC000013649423 562998873 /nfs/dbraw/zinc/99/88/73/562998873.db2.gz ZYZDMAJYGAZXEO-NOWBUFNOSA-N 0 0 440.365 5.054 1 0 IKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)/C=C/I ZINC000013649417 562998875 /nfs/dbraw/zinc/99/88/75/562998875.db2.gz DWUIOIDQYOFBEC-GXDIAVKMSA-N 0 0 442.381 5.278 1 0 IKAFRN C[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C\I)[C@H]12 ZINC000013649410 562998928 /nfs/dbraw/zinc/99/89/28/562998928.db2.gz PHEIPZRUBHZNOH-ZWNHERPMSA-N 0 0 438.349 5.174 1 0 IKAFRN CCCCC[C@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3ccc(OC(C)=O)cc3n21 ZINC000013650960 562999154 /nfs/dbraw/zinc/99/91/54/562999154.db2.gz JXGAIFHWJGFTNR-IBGZPJMESA-N 0 0 433.504 5.649 1 0 IKAFRN CCCCC[C@@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3ccc(OC(C)=O)cc3n21 ZINC000013650959 562999210 /nfs/dbraw/zinc/99/92/10/562999210.db2.gz JXGAIFHWJGFTNR-LJQANCHMSA-N 0 0 433.504 5.649 1 0 IKAFRN C[C@]12CC[C@@H]3c4cc(F)c(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C\I ZINC000013651620 562999290 /nfs/dbraw/zinc/99/92/90/562999290.db2.gz HLVDBXRUIZJDOP-AQYZHNDFSA-N 0 0 442.312 5.067 1 0 IKAFRN COc1ccc2cc([C@H](C)C(=O)OC[C@@]3(C)Cc4c(c(C)c(C)c(O)c4C)O3)ccc2c1 ZINC000013652314 562999327 /nfs/dbraw/zinc/99/93/27/562999327.db2.gz HLSGCMJRDCUPBO-CBZJRKILSA-N 0 0 434.532 5.520 1 0 IKAFRN Cc1ccc(N(C(=O)Nc2cccc(Cl)c2)[C@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000013652451 562999333 /nfs/dbraw/zinc/99/93/33/562999333.db2.gz GECZRZKXOAHEMK-QGZVFWFLSA-N 0 0 446.938 5.993 1 0 IKAFRN COc1ccc2cc([C@H](C)C(=O)OC[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)ccc2c1 ZINC000013652321 562999335 /nfs/dbraw/zinc/99/93/35/562999335.db2.gz LJROIJOTAXGHOO-JMQGSBJISA-N 0 0 448.559 5.910 1 0 IKAFRN COc1ccc2cc([C@H](C)C(=O)NCC[C@]3(C)Cc4c(c(C)c(C)c(O)c4C)O3)ccc2c1 ZINC000013652319 562999366 /nfs/dbraw/zinc/99/93/66/562999366.db2.gz ZBVQBLJXKSYUIV-XDBZFTIUSA-N 0 0 447.575 5.483 1 0 IKAFRN COc1ccc2cc([C@H](C)C(=O)OC[C@]3(C)COc4c3c(C)c(O)c(C)c4C)ccc2c1 ZINC000013652334 562999370 /nfs/dbraw/zinc/99/93/70/562999370.db2.gz QNVKQZSQJKZVRB-SOKVYYICSA-N 0 0 434.532 5.476 1 0 IKAFRN CCCC(CCC)N1CCn2c(=O)n(-c3ccc(C(F)(F)F)cc3)c3nc(C)cc1c32 ZINC000013652918 562999371 /nfs/dbraw/zinc/99/93/71/562999371.db2.gz YDROUEOJVRBXDL-UHFFFAOYSA-N 0 0 432.490 5.303 1 0 IKAFRN COc1ccc(-c2cc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013662025 562999777 /nfs/dbraw/zinc/99/97/77/562999777.db2.gz MJZNTIVTTZIIPF-YJFRUDADSA-N 0 0 441.546 6.413 3 0 IKAFRN C[C@@H]1CC=C[C@@H]2[C@H](c3ccc(-c4ccc(F)cc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000013661949 562999783 /nfs/dbraw/zinc/99/97/83/562999783.db2.gz HFJMJJXISOUPFA-AIRFCXSGSA-N 0 0 429.510 6.544 3 0 IKAFRN COc1ccc(/C=C/c2ccccc2)cc1[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013661860 562999785 /nfs/dbraw/zinc/99/97/85/562999785.db2.gz AKPXMNGPDDQCPF-JGXSTHQHSA-N 0 0 449.594 6.922 3 0 IKAFRN C[C@@]12CCC=C[C@H]1[C@H](c1ccc(/C=C/c3ccccc3)cc1F)N(Cc1ccccc1)C2=O ZINC000013661839 562999786 /nfs/dbraw/zinc/99/97/86/562999786.db2.gz ODWPOIWZPBWHQI-URJHXMFISA-N 0 0 437.558 7.052 3 0 IKAFRN CCCCC(CCCC)N1CCn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc1c32 ZINC000013672724 562999963 /nfs/dbraw/zinc/99/99/63/562999963.db2.gz KUOPRESVWMTWCX-UHFFFAOYSA-N 0 0 445.438 7.283 1 0 IKAFRN CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)nc1-c1ccccc1 ZINC000013672385 562999991 /nfs/dbraw/zinc/99/99/91/562999991.db2.gz QYKQOWXHCPOZDZ-UHFFFAOYSA-N 0 0 431.573 6.063 1 0 IKAFRN COc1ccc(/C(=C\CCN2CCOC2=O)c2cc(F)cc(C(F)(F)F)c2)cc1OC ZINC000013673836 563000284 /nfs/dbraw/zinc/00/02/84/563000284.db2.gz AZMXYEMIXOVLEA-JJPRUIFNSA-N 0 0 439.405 5.136 1 0 IKAFRN CC[C@@]1(c2ccc(CNc3cccc(F)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675347 563000366 /nfs/dbraw/zinc/00/03/66/563000366.db2.gz IBPBIJYTXQTRFZ-MHZLTWQESA-N 0 0 426.491 6.109 1 0 IKAFRN Cc1c(Cc2c(Cl)cccc2Cl)nc(SCc2ccc(C(C)C)cc2)[nH]c1=O ZINC000013677554 563000624 /nfs/dbraw/zinc/00/06/24/563000624.db2.gz WHEXFFVRGMVPLX-UHFFFAOYSA-N 0 0 433.404 6.392 1 0 IKAFRN O=C1[C@@H](c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000013680150 563000912 /nfs/dbraw/zinc/00/09/12/563000912.db2.gz CUKPDQSSXDAABM-LJQANCHMSA-N 0 0 431.706 6.361 1 0 in-vivo IKAFRN CCCCN(C(=O)CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000013682511 563000973 /nfs/dbraw/zinc/00/09/73/563000973.db2.gz TZTITTQFQXZCLV-UHFFFAOYSA-N 0 0 447.419 5.765 1 0 IKAFRN Cc1nc(NC(=O)c2ccccc2)sc1[C@]1(C)CC(c2c(Cl)cccc2Cl)=NO1 ZINC000013682748 563001048 /nfs/dbraw/zinc/00/10/48/563001048.db2.gz XGJCOHREFKZUDU-NRFANRHFSA-N 0 0 446.359 6.050 3 0 IKAFRN Cc1nc(NC(=O)c2ccccc2)sc1[C@@]1(C)CC(c2c(Cl)cccc2Cl)=NO1 ZINC000013682744 563001069 /nfs/dbraw/zinc/00/10/69/563001069.db2.gz XGJCOHREFKZUDU-OAQYLSRUSA-N 0 0 446.359 6.050 3 0 IKAFRN CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccc(Cl)cc2n1 ZINC000013728686 563001502 /nfs/dbraw/zinc/00/15/02/563001502.db2.gz IUYNTOUXPMAIEK-UHFFFAOYSA-N 0 0 441.922 5.877 1 0 IKAFRN Cc1ccc(S(=O)(=O)c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)ns2)cc1 ZINC000013727722 563001546 /nfs/dbraw/zinc/00/15/46/563001546.db2.gz HYWFULJAZGPHNR-UHFFFAOYSA-N 0 0 444.622 5.647 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1c2ccccc2COc2ccc(CO)cc21 ZINC000013735263 563002239 /nfs/dbraw/zinc/00/22/39/563002239.db2.gz VQHBQOKIIDQHAR-SANMLTNESA-N 0 0 429.560 6.089 1 0 IKAFRN CSc1ccc2c(c1)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000013735239 563002249 /nfs/dbraw/zinc/00/22/49/563002249.db2.gz OLZZJLPVPQFJEO-SANMLTNESA-N 0 0 445.628 7.318 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)OC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000013737310 563002486 /nfs/dbraw/zinc/00/24/86/563002486.db2.gz JBVHKMFHWMALRV-QFIPXVFZSA-N 0 0 440.584 6.748 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NC(=O)c1ccccn1)c1ccccc1 ZINC000013737218 563002507 /nfs/dbraw/zinc/00/25/07/563002507.db2.gz SYIDHBHPUCQHFR-DEOSSOPVSA-N 0 0 444.579 5.621 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1OC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000013737316 563002527 /nfs/dbraw/zinc/00/25/27/563002527.db2.gz ZLEBRQZVKNTRQY-QFIPXVFZSA-N 0 0 440.584 6.288 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)N(C)C(=O)N(c1ccccc1)c1ccccc1 ZINC000013738001 563002741 /nfs/dbraw/zinc/00/27/41/563002741.db2.gz DVOKQRPHQPXISU-UHFFFAOYSA-N 0 0 429.564 7.355 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013738003 563002779 /nfs/dbraw/zinc/00/27/79/563002779.db2.gz UGNBXNCTBFTMDW-UHFFFAOYSA-N 0 0 445.588 7.478 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)OC(c1ccccc1)c1ccccc1 ZINC000013738012 563002820 /nfs/dbraw/zinc/00/28/20/563002820.db2.gz DJZKCHWTXZMPTI-UHFFFAOYSA-N 0 0 430.548 6.981 1 0 IKAFRN CCCC(=O)c1cnc2c(OCCCc3c[nH]cn3)cccc2c1Nc1c(C)cccc1C ZINC000013742250 563003398 /nfs/dbraw/zinc/00/33/98/563003398.db2.gz OIUDSIHLHKLLBT-UHFFFAOYSA-N 0 0 442.563 6.313 1 0 IKAFRN O=C(N[C@@H]1c2ccccc2OC[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 ZINC000013755696 563004319 /nfs/dbraw/zinc/00/43/19/563004319.db2.gz QOTCWRLMSFLHKL-LEAFIULHSA-N 0 0 435.523 5.558 1 0 IKAFRN COC(=O)[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1 ZINC000013762408 563005407 /nfs/dbraw/zinc/00/54/07/563005407.db2.gz ZSDYIUVQNWIAIS-QHCPKHFHSA-N 0 0 430.891 5.199 1 0 IKAFRN CC(C)(C)OC(=O)Nc1ccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c32)cc1 ZINC000013766068 563005606 /nfs/dbraw/zinc/00/56/06/563005606.db2.gz FDHOXGIXMNBPSE-UHFFFAOYSA-N 0 0 436.903 5.764 1 0 IKAFRN Clc1sccc1CO[C@@H]1c2cc(Cl)c(Cl)cc2S[C@H]1Cn1ccnc1 ZINC000013775768 563005669 /nfs/dbraw/zinc/00/56/69/563005669.db2.gz YEHKRXJFFRNTNF-JKSUJKDBSA-N 0 0 431.797 6.337 1 0 IKAFRN C[NH+](C)Cc1sccc1Oc1cccc(-c2c(=O)[nH]c3cc(Cl)ccc3c2[O-])c1 ZINC000013775726 563005704 /nfs/dbraw/zinc/00/57/04/563005704.db2.gz DJYSLBHGRAHXLV-UHFFFAOYSA-N 0 0 426.925 5.470 1 0 IKAFRN Clc1ccc(CO[C@@H]2c3c(cc(Cl)cc3Cl)S[C@@H]2Cn2ccnc2)cc1 ZINC000013775797 563005755 /nfs/dbraw/zinc/00/57/55/563005755.db2.gz HLISQAYPWNMIHC-MJGOQNOKSA-N 0 0 425.768 6.276 1 0 IKAFRN Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1ccc(Cl)cc1Cl ZINC000013775790 563005813 /nfs/dbraw/zinc/00/58/13/563005813.db2.gz GDQODJLFRNJZPE-RTBURBONSA-N 0 0 425.768 6.276 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Br)nc1)Oc1ccccc1-3 ZINC000013777138 563005921 /nfs/dbraw/zinc/00/59/21/563005921.db2.gz IZMLMXPILRMTIR-QHCPKHFHSA-N 0 0 433.349 6.600 1 0 IKAFRN Cc1cc(Br)cc([C@H]2Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)c1 ZINC000013777136 563005984 /nfs/dbraw/zinc/00/59/84/563005984.db2.gz BDYFDDGUXXUNJN-RUZDIDTESA-N 0 0 446.388 7.514 1 0 IKAFRN CCCCC(C)(C)OC(=O)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013778594 563006010 /nfs/dbraw/zinc/00/60/10/563006010.db2.gz MIGQWALYIGJROC-XMMPIXPASA-N 0 0 437.624 7.168 1 0 IKAFRN CC(=O)N(Cc1c(Cl)cccc1Cl)c1cccn2c(Br)c(C)nc12 ZINC000013778309 563006016 /nfs/dbraw/zinc/00/60/16/563006016.db2.gz LIBVBEOGUGRLGK-UHFFFAOYSA-N 0 0 427.129 5.265 1 0 IKAFRN CCCCC[C@@H](C)OC(=O)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013778586 563006017 /nfs/dbraw/zinc/00/60/17/563006017.db2.gz BTEMHWUCOCXSLE-PXDATVDWSA-N 0 0 437.624 7.168 1 0 IKAFRN CCN(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000013778272 563006035 /nfs/dbraw/zinc/00/60/35/563006035.db2.gz CCYYQYZNHPGFSQ-UHFFFAOYSA-N 0 0 443.172 5.747 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3ccccc3)o2)C2CCCCCC2)c(C)c1 ZINC000013779960 563006309 /nfs/dbraw/zinc/00/63/09/563006309.db2.gz PQLPKWPEJNNPJH-UHFFFAOYSA-N 0 0 430.592 7.629 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2c[nH]c(-c3ccccc3)n2)C2CCCCCC2)c(C)c1 ZINC000013779963 563006317 /nfs/dbraw/zinc/00/63/17/563006317.db2.gz HOBVPCHQUHESRO-UHFFFAOYSA-N 0 0 430.596 6.759 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-n3cncn3)cc2)C2CCCCCC2)c(C)c1 ZINC000013779985 563006323 /nfs/dbraw/zinc/00/63/23/563006323.db2.gz LWUFZGZUOIDQDZ-UHFFFAOYSA-N 0 0 431.584 5.949 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3ccn(C)n3)cc2)C2CCCCCC2)c(C)c1 ZINC000013779978 563006344 /nfs/dbraw/zinc/00/63/44/563006344.db2.gz AFQHIKKGSFMBMV-UHFFFAOYSA-N 0 0 444.623 6.769 1 0 IKAFRN Cc1nc(-c2ccc(CN(C(=O)Nc3c(C)cc(C)cc3C)C3CCCCCC3)cc2)n[nH]1 ZINC000013779988 563006404 /nfs/dbraw/zinc/00/64/04/563006404.db2.gz IFRBRNSHNRMHSR-UHFFFAOYSA-N 0 0 445.611 6.462 1 0 IKAFRN CCN1c2ncc(CCc3ccc4ccccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780552 563006474 /nfs/dbraw/zinc/00/64/74/563006474.db2.gz FEYLGORDRQXSPO-UHFFFAOYSA-N 0 0 442.950 5.816 1 0 IKAFRN CCN(CC)C(=O)CCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 ZINC000013781726 563006728 /nfs/dbraw/zinc/00/67/28/563006728.db2.gz CJAFXZUPRJLMRZ-FGZHOGPDSA-N 0 0 441.656 6.710 1 0 IKAFRN CCN(c1ccc(N(C)C)cc1C(F)(F)F)c1nc(C)nc(N(CC2CC2)CC2CC2)n1 ZINC000013794575 563007152 /nfs/dbraw/zinc/00/71/52/563007152.db2.gz MQYHFKHWGJFMLC-UHFFFAOYSA-N 0 0 448.537 5.049 1 0 IKAFRN CCCN(CC1CC1)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000013794572 563007158 /nfs/dbraw/zinc/00/71/58/563007158.db2.gz PPKVCONLQKTRKF-UHFFFAOYSA-N 0 0 436.526 5.049 1 0 IKAFRN CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3ccccc3C(F)(F)F)ccc2O1 ZINC000013795388 563007257 /nfs/dbraw/zinc/00/72/57/563007257.db2.gz NGEMLYHTEVGSNB-UHFFFAOYSA-N 0 0 425.406 5.158 1 0 IKAFRN CC[C@H](NC(=O)c1c(Br)c(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000013795688 563007261 /nfs/dbraw/zinc/00/72/61/563007261.db2.gz SEGYHCCGUHTJGG-FQEVSTJZSA-N 0 0 445.360 6.545 1 0 IKAFRN CN1CC[C@](O)(c2ccc(Cl)cc2Cl)[C@@H](C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000013804568 563008315 /nfs/dbraw/zinc/00/83/15/563008315.db2.gz FEIRROBBFMUCJM-BEFAXECRSA-N 0 0 433.162 5.322 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3ccc(F)cc3)c1)CC2 ZINC000013806107 563008405 /nfs/dbraw/zinc/00/84/05/563008405.db2.gz JQFXXJWMPNICNG-UHFFFAOYSA-N 0 0 431.389 5.510 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3c(C)ccnc3C)c1)CC2 ZINC000013806138 563008406 /nfs/dbraw/zinc/00/84/06/563008406.db2.gz BWXWMZPAKOINJY-UHFFFAOYSA-N 0 0 441.453 5.987 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)c(C)c(-c3cccnc3)c1)CC2 ZINC000013806171 563008428 /nfs/dbraw/zinc/00/84/28/563008428.db2.gz WZBAGSREBJLWKO-UHFFFAOYSA-N 0 0 445.416 5.818 1 0 IKAFRN COc1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)cc1 ZINC000013809644 563008895 /nfs/dbraw/zinc/00/88/95/563008895.db2.gz QQLWYDYVUOBKGW-UHFFFAOYSA-N 0 0 426.303 5.660 1 0 IKAFRN COc1ccc(Nc2ccc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 ZINC000013812758 563009000 /nfs/dbraw/zinc/00/90/00/563009000.db2.gz DFRMPGWCYUTILD-UHFFFAOYSA-N 0 0 426.303 5.660 1 0 IKAFRN COc1cc2oc(=O)cc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)c2c(OC)c1OC ZINC000013814366 563009220 /nfs/dbraw/zinc/00/92/20/563009220.db2.gz FRQSVEWYRXSJNK-UHFFFAOYSA-N 0 0 430.456 5.355 1 0 IKAFRN CCCCCC[C@@]1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1(Cl)Cl ZINC000013819878 563009979 /nfs/dbraw/zinc/00/99/79/563009979.db2.gz RNMKCDKJDCUKNL-IECBHUPTSA-N 0 0 437.451 7.789 1 0 IKAFRN O=C1c2c(c(=O)n3nc(-c4ccccc4)cc3n2CC2CCCCC2)CN1C1CCCCC1 ZINC000013821980 563010108 /nfs/dbraw/zinc/01/01/08/563010108.db2.gz WWQPKHPATDKPTD-UHFFFAOYSA-N 0 0 444.579 5.032 1 0 IKAFRN CCCCc1nnc(SCC(C)C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013825638 563010532 /nfs/dbraw/zinc/01/05/32/563010532.db2.gz LJUIJNVLUFWXTG-UHFFFAOYSA-N 0 0 447.612 5.264 1 0 IKAFRN CCCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C ZINC000013827521 563010712 /nfs/dbraw/zinc/01/07/12/563010712.db2.gz CZOTZWJSMLDBSH-UHFFFAOYSA-N 0 0 449.599 5.397 1 0 IKAFRN CCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1Cl ZINC000013827824 563010789 /nfs/dbraw/zinc/01/07/89/563010789.db2.gz RKKPIWZNBPVWII-UHFFFAOYSA-N 0 0 440.975 5.903 1 0 IKAFRN CCCCc1nc2ccc(OC)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828029 563010835 /nfs/dbraw/zinc/01/08/35/563010835.db2.gz RNFPQAYHCNOZCL-UHFFFAOYSA-N 0 0 438.535 5.283 1 0 IKAFRN CC(=O)c1ccc(-c2cccc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 ZINC000013829791 563011021 /nfs/dbraw/zinc/01/10/21/563011021.db2.gz ZDOITGLQBHPYRW-MUPNOLHXSA-N 0 0 435.567 6.612 1 0 IKAFRN COc1ccc(-c2cc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830490 563011022 /nfs/dbraw/zinc/01/10/22/563011022.db2.gz LBTCHHGRAPTJFO-ONDZYYNLSA-N 0 0 441.546 6.557 1 0 IKAFRN COc1ccc(Br)cc1[C@@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013829795 563011035 /nfs/dbraw/zinc/01/10/35/563011035.db2.gz KNRYFEGKCSWVBJ-XKCSPQBFSA-N 0 0 426.354 5.514 1 0 IKAFRN COc1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830673 563011127 /nfs/dbraw/zinc/01/11/27/563011127.db2.gz VQWJEKXDIGIDCM-ONDZYYNLSA-N 0 0 441.546 6.557 1 0 IKAFRN COc1cc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@H]23)ccc1OC1CCCC1 ZINC000013863454 563013292 /nfs/dbraw/zinc/01/32/92/563013292.db2.gz MBPFNGJUEJNAOH-XZOQPEGZSA-N 0 0 432.564 5.570 1 0 IKAFRN COCOc1cccc([C@H]2Oc3cccc(OC)c3-c3ccc4c(c32)C(C)=CC(C)(C)N4)c1 ZINC000013863760 563013406 /nfs/dbraw/zinc/01/34/06/563013406.db2.gz AKWLHIKHZRXJAM-HHHXNRCGSA-N 0 0 443.543 6.434 1 0 IKAFRN Cc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(C)c1 ZINC000013864348 563013531 /nfs/dbraw/zinc/01/35/31/563013531.db2.gz DNJHLGWWUWJPCC-UHFFFAOYSA-N 0 0 428.344 5.831 1 0 IKAFRN Cc1cc(O)c2c(c1)[C@H](C(C)C)Cc1cc3c(cc1-2)[C@@H](O)[C@@H](C(C)C)c1cc(C)cc(O)c1-3 ZINC000014637615 563014731 /nfs/dbraw/zinc/01/47/31/563014731.db2.gz TZUNCSSGETYEPM-PYWABEAOSA-N 0 0 442.599 7.131 1 0 IKAFRN CC[C@H](C)C(=O)c1c(O)c2c(oc3c2c(O)c(C(=O)CC(C)C)c(O)c3C)c(C)c1O ZINC000014686655 563014804 /nfs/dbraw/zinc/01/48/04/563014804.db2.gz FGVMIJJCBXNQHY-JTQLQIEISA-N 0 0 428.481 5.483 1 0 IKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2C(F)(F)F)c1 ZINC000014945226 563015222 /nfs/dbraw/zinc/01/52/22/563015222.db2.gz UCOGAOPSFPFQQE-UHFFFAOYSA-N 0 0 425.410 5.568 1 0 IKAFRN Cc1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1C(F)(F)F ZINC000014946607 563015486 /nfs/dbraw/zinc/01/54/86/563015486.db2.gz TXKJCQVOEAMXER-UHFFFAOYSA-N 0 0 425.414 5.383 1 0 IKAFRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1 ZINC000014957195 563015943 /nfs/dbraw/zinc/01/59/43/563015943.db2.gz HTUPONJUVMCVCW-UHFFFAOYSA-N 0 0 449.436 5.862 1 0 IKAFRN CC(=O)Nc1nc2c(cccc2Oc2cc(C3=CC[C@H](C(F)(F)F)CC3)ncn2)s1 ZINC000014974147 563016704 /nfs/dbraw/zinc/01/67/04/563016704.db2.gz BPHBCIKYYUQAFI-ZDUSSCGKSA-N 0 0 434.443 5.583 1 0 IKAFRN CCCCc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1 ZINC000014978318 563017182 /nfs/dbraw/zinc/01/71/82/563017182.db2.gz ZIORSNPJGIWSFP-UHFFFAOYSA-N 0 0 432.589 5.699 1 0 IKAFRN CCCCCCC1=C(c2ccccc2)[C@]2(Nc3ccc(OC(F)(F)F)cc3)CCC[C@@H]2C1 ZINC000014978572 563017295 /nfs/dbraw/zinc/01/72/95/563017295.db2.gz IFKYDVSHXAQASF-GJZUVCINSA-N 0 0 443.553 8.364 1 0 IKAFRN Cc1nn(C)c(C)c1CN(Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C)C1CC1 ZINC000015064298 563017409 /nfs/dbraw/zinc/01/74/09/563017409.db2.gz BDTJEDNBOZBGET-UHFFFAOYSA-N 0 0 442.563 5.957 1 0 IKAFRN CCCn1c2ccccc2nc1[C@@H](C)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000015937219 563019185 /nfs/dbraw/zinc/01/91/85/563019185.db2.gz GGXRSAIRUQEMBP-CQSZACIVSA-N 0 0 441.398 6.505 3 0 IKAFRN O=C(C[C@@H](C(=O)c1cccs1)c1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000017221995 563021759 /nfs/dbraw/zinc/02/17/59/563021759.db2.gz OHXMFITZQYJQPG-MRXNPFEDSA-N 0 0 443.318 5.479 1 0 IKAFRN COc1ccc([C@@H]2C=CCN(Cc3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018024271 563022205 /nfs/dbraw/zinc/02/22/05/563022205.db2.gz FZJPBLUXGQUAOK-IDISGSTGSA-N 0 0 444.550 5.365 1 0 IKAFRN COc1ccc(N2C(=O)[C@@H]3C[C@@H](c4ccc(C)cc4)c4c5ccccc5[nH]c4[C@H]3C2=O)cc1 ZINC000018066176 563022208 /nfs/dbraw/zinc/02/22/08/563022208.db2.gz IIWGYBSSXDFKAD-FBLLAGFSSA-N 0 0 436.511 5.294 1 0 IKAFRN CCCCCCc1cc2cc(-c3nc(-c4ccc(OC)cc4)cs3)c(=O)oc2cc1O ZINC000025869233 563027569 /nfs/dbraw/zinc/02/75/69/563027569.db2.gz ITTJIOXAJWFXBA-UHFFFAOYSA-N 0 0 435.545 6.421 1 0 IKAFRN COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@](C)(O)CCC1CCCCCC1 ZINC000025966154 563027666 /nfs/dbraw/zinc/02/76/66/563027666.db2.gz KFQOCRVSIWXQLA-VJJBZBNNSA-N 0 0 448.644 5.290 1 0 IKAFRN COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@@](C)(O)CCC1CCCCCC1 ZINC000025966148 563027686 /nfs/dbraw/zinc/02/76/86/563027686.db2.gz KFQOCRVSIWXQLA-HJYUYNGCSA-N 0 0 448.644 5.290 1 0 IKAFRN CCOC(=O)c1ccc(NC(=S)Nc2cc3c(cc2C)SC(C)(C)CC3(C)C)cc1 ZINC000025966990 563027776 /nfs/dbraw/zinc/02/77/76/563027776.db2.gz PEDXWASSKCBZSV-UHFFFAOYSA-N 0 0 442.650 6.533 1 0 IKAFRN Cc1ccc([S@@](=O)(=NC(=O)Nc2ccc(Cl)cc2)NCCc2ccccc2)cc1 ZINC000025976914 563027877 /nfs/dbraw/zinc/02/78/77/563027877.db2.gz SJDXQQAWBSECQU-LJAQVGFWSA-N 0 0 427.957 5.455 1 0 IKAFRN COc1ccc(Cc2cn(C3CC3)c3c(F)c(-c4cc(C)nc(C)c4)c(F)cc3c2=O)cc1 ZINC000025977321 563027896 /nfs/dbraw/zinc/02/78/96/563027896.db2.gz WLCNRYNOIAJNOA-UHFFFAOYSA-N 0 0 446.497 5.893 1 0 IKAFRN CCCCC[C@H](O[C@@H]1CCCCO1)c1cccc(OCc2cccc(C(=O)OC)c2)c1 ZINC000025985069 563028065 /nfs/dbraw/zinc/02/80/65/563028065.db2.gz LZMGDMPAIGSAHU-LOSJGSFVSA-N 0 0 426.553 6.217 1 0 IKAFRN CC(C)SCC[C@@H](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 ZINC000026005547 563028286 /nfs/dbraw/zinc/02/82/86/563028286.db2.gz PYAWAWCFGDSSGC-YJFVYAAPSA-N 0 0 446.785 8.264 1 0 IKAFRN CCCC(C)(C)C(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C(C)(C)CCC)cc2)cc1 ZINC000026005558 563028290 /nfs/dbraw/zinc/02/82/90/563028290.db2.gz MCLGSQKXJMZFQH-UHFFFAOYSA-N 0 0 438.564 6.381 1 0 IKAFRN CC[C@@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCCO)c1ccccc1 ZINC000026004483 563028333 /nfs/dbraw/zinc/02/83/33/563028333.db2.gz FGYOTBSIZORJPA-JOCHJYFZSA-N 0 0 426.516 5.154 1 0 IKAFRN COc1ccc([C@@H]2N(c3ccc(OC)cc3)C(=O)C23CCC(c2ccccc2)CC3)cc1 ZINC000026144488 563028909 /nfs/dbraw/zinc/02/89/09/563028909.db2.gz TVNUWGVMKRVPTL-HTHCSZCSSA-N 0 0 427.544 6.136 1 0 IKAFRN C[C@H]1c2ccccc2NCCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026166349 563029265 /nfs/dbraw/zinc/02/92/65/563029265.db2.gz KFUYJHQXQLVYOZ-ZDUSSCGKSA-N 0 0 445.407 5.765 1 0 IKAFRN CCCN(c1cccc2ccccc21)c1nccc(-c2c(OC)cc(OC)cc2OC)n1 ZINC000026177267 563029508 /nfs/dbraw/zinc/02/95/08/563029508.db2.gz QUQBMWUEUPLHNF-UHFFFAOYSA-N 0 0 429.520 5.871 1 0 IKAFRN CS(=O)(=O)Nc1ccc2c(c1)[C@@H](c1ccccc1)Oc1cccc(-c3cccs3)c1-2 ZINC000026182701 563029666 /nfs/dbraw/zinc/02/96/66/563029666.db2.gz JBCHKQOUNUPIOV-XMMPIXPASA-N 0 0 433.554 5.935 1 0 IKAFRN COc1cccc2c1-c1ccc(NS(=O)(=O)c3ccccc3)cc1[C@H](c1ccccc1)O2 ZINC000026179677 563029683 /nfs/dbraw/zinc/02/96/83/563029683.db2.gz LBPUUYGNAXELAJ-SANMLTNESA-N 0 0 443.524 5.645 1 0 IKAFRN CCCCCCN(CCCCCC)C(=O)Cc1c2ccccc2oc1-c1ccc(F)cc1 ZINC000026186887 563029878 /nfs/dbraw/zinc/02/98/78/563029878.db2.gz NFJVMLASQXVEAQ-UHFFFAOYSA-N 0 0 437.599 7.771 1 0 IKAFRN Clc1ccc2c(c1)nccc2N[C@@H]1CCCC[C@H]1Nc1ccnc2cc(Cl)ccc21 ZINC000026252435 563030003 /nfs/dbraw/zinc/03/00/03/563030003.db2.gz LISWOCWHIAZFSB-FGZHOGPDSA-N 0 0 437.374 6.925 1 0 IKAFRN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCCO)CC1 ZINC000026258891 563030192 /nfs/dbraw/zinc/03/01/92/563030192.db2.gz OPSFDILCXAIBDK-RBUKOAKNSA-N 0 0 443.628 5.642 1 0 IKAFRN CC[C@]12CCCn3c(C(=O)C(Cl)(Cl)Cl)cc(c31)-c1ccccc1NC(=O)CC2 ZINC000026261198 563030239 /nfs/dbraw/zinc/03/02/39/563030239.db2.gz LAKVLFRTVUFTQA-HXUWFJFHSA-N 0 0 439.770 5.882 1 0 IKAFRN CC[C@]12CCCn3ccc(c31)-c1ccccc1N(CC(=O)OCc1ccccc1)C(=O)CC2 ZINC000026271773 563030453 /nfs/dbraw/zinc/03/04/53/563030453.db2.gz GIFBOOCGMPUJAA-MUUNZHRXSA-N 0 0 442.559 5.467 1 0 IKAFRN CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCSC1=S ZINC000026279064 563030660 /nfs/dbraw/zinc/03/06/60/563030660.db2.gz ZLILVRHFOMTRSA-DEOSSOPVSA-N 0 0 434.548 6.027 1 0 IKAFRN CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCCCC1=O ZINC000026284735 563030737 /nfs/dbraw/zinc/03/07/37/563030737.db2.gz LYLDLQDRDBSOGP-NDEPHWFRSA-N 0 0 428.494 6.096 1 0 IKAFRN CC(C)c1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2cc(Cl)ccc2-3)no1 ZINC000026385732 563031563 /nfs/dbraw/zinc/03/15/63/563031563.db2.gz IJPHGOPFJRDONA-UHFFFAOYSA-N 0 0 438.318 5.704 1 0 IKAFRN COc1ccc(-c2cc(=O)n(Cc3ccc(Cl)cc3)nc2-c2ccc(OC)cc2)cc1 ZINC000026401950 563031834 /nfs/dbraw/zinc/03/18/34/563031834.db2.gz ZZXQPJDRCSMCCC-UHFFFAOYSA-N 0 0 432.907 5.296 1 0 IKAFRN CC(C)n1cnc2c1nc(N[C@H](CO)CC1CCCCC1)nc2Nc1cccc(Cl)c1 ZINC000026467578 563032065 /nfs/dbraw/zinc/03/20/65/563032065.db2.gz ZPORIYZCSVTKKP-IBGZPJMESA-N 0 0 442.995 5.547 1 0 IKAFRN O=S(=O)(c1ccccc1)N1CCCC(c2ccc(-c3ccc4ccccc4c3)cc2)=N1 ZINC000026493135 563032560 /nfs/dbraw/zinc/03/25/60/563032560.db2.gz JDXKYHZDNLDVNG-UHFFFAOYSA-N 0 0 426.541 5.696 1 0 IKAFRN C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OCc2ccc(Cl)cc2)C1 ZINC000026494983 563032648 /nfs/dbraw/zinc/03/26/48/563032648.db2.gz ADZPEGVGCRMCJB-BKIITAIPSA-N 0 0 444.999 5.476 1 0 IKAFRN CCCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OCCC)c1 ZINC000026572927 563033460 /nfs/dbraw/zinc/03/34/60/563033460.db2.gz ZFXJKZPUDLCSGS-UHFFFAOYSA-N 0 0 447.966 7.037 1 0 IKAFRN COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@@H]23)c2c1OC1(CCCC1)C2 ZINC000026572382 563033462 /nfs/dbraw/zinc/03/34/62/563033462.db2.gz WGWKCNVFLGOBOV-IRLDBZIGSA-N 0 0 444.575 5.496 1 0 IKAFRN CCCCC/C=C\C/C=C\CCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1 ZINC000026575865 563033637 /nfs/dbraw/zinc/03/36/37/563033637.db2.gz JSYYPAONXOHMGO-NQLNTKRDSA-N 0 0 429.645 6.873 1 0 IKAFRN CN(C)C(=O)Cc1cn(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026576349 563033746 /nfs/dbraw/zinc/03/37/46/563033746.db2.gz VAEUGHSPYWPCJC-UHFFFAOYSA-N 0 0 442.268 5.496 1 0 IKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC(=NO)C4=CC(=O)C(=O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000026578647 563034001 /nfs/dbraw/zinc/03/40/01/563034001.db2.gz AGHDZMKTPDANEA-XXLAJPEBSA-N 0 0 427.629 6.699 1 0 IKAFRN O=c1ncc2nc(Sc3ccc(F)cc3F)ccc2n1-c1c(Cl)cccc1Cl ZINC000026661383 563034974 /nfs/dbraw/zinc/03/49/74/563034974.db2.gz CZUUHOBWLGBODT-UHFFFAOYSA-N 0 0 436.270 5.517 1 0 IKAFRN CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)OCC)CC1 ZINC000026669275 563035278 /nfs/dbraw/zinc/03/52/78/563035278.db2.gz ZRGSKQJNTCUTDI-RTBURBONSA-N 0 0 443.628 5.906 1 0 IKAFRN CCCCOC(=O)O[C@H](CCc1ccccc1)CP(=O)(OCCCC)OCCCC ZINC000026671364 563035388 /nfs/dbraw/zinc/03/53/88/563035388.db2.gz ZLSBAPAMOWWBJZ-JOCHJYFZSA-N 0 0 442.533 6.768 1 0 IKAFRN COc1ccc(-c2c(CC(C)C)c(C)nc3cc(OC)c(OC)c(OC)c32)cc1OC ZINC000026674186 563035431 /nfs/dbraw/zinc/03/54/31/563035431.db2.gz LBLBHUUKNDJEJI-UHFFFAOYSA-N 0 0 425.525 5.452 1 0 IKAFRN COc1ccc(-c2c(C)c(-c3ccccc3)nc3cc(OC)c(OC)c(OC)c32)cc1OC ZINC000026674585 563035439 /nfs/dbraw/zinc/03/54/39/563035439.db2.gz UCOLJHCXTGDSGM-UHFFFAOYSA-N 0 0 445.515 5.920 1 0 IKAFRN COC(=O)[C@@H]1CCC[C@@H](Nc2n[nH]c3cccc(OCc4ccc(Cl)c(Cl)c4)c32)C1 ZINC000026718770 563035574 /nfs/dbraw/zinc/03/55/74/563035574.db2.gz PLSWPGCYLNQKDB-HUUCEWRRSA-N 0 0 448.350 5.592 1 0 IKAFRN Cc1c(Br)c2ncc(CSCc3ccccc3)n2c(C)c1Br ZINC000026731061 563035888 /nfs/dbraw/zinc/03/58/88/563035888.db2.gz RFHAROAQTDYGGF-UHFFFAOYSA-N 0 0 440.204 5.910 1 0 IKAFRN CCOC(=O)CCCC[C@]1(Cc2ccncc2)c2ccccc2N(c2ccccc2)C1=O ZINC000026730700 563035893 /nfs/dbraw/zinc/03/58/93/563035893.db2.gz YARJONMFCOLLPW-MHZLTWQESA-N 0 0 428.532 5.364 1 0 IKAFRN C[C@@]12CC[C@H]([C@H](O)CCc3ccccc3)[C@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026748825 563036502 /nfs/dbraw/zinc/03/65/02/563036502.db2.gz XHEKHZIUUNYQCE-CWTJTEAPSA-N 0 0 438.696 6.636 1 0 IKAFRN COc1cc(OC)c(NC(=S)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1Cl ZINC000026749802 563036516 /nfs/dbraw/zinc/03/65/16/563036516.db2.gz QKMDDLJQZUXSCG-UHFFFAOYSA-N 0 0 441.940 5.418 1 0 IKAFRN CC[C@H](C)[C@@H](/C=C/c1ccc(C)cc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccccc1 ZINC000026752219 563036612 /nfs/dbraw/zinc/03/66/12/563036612.db2.gz QTAVTWUPQXJRPJ-UKRAWTAVSA-N 0 0 432.608 5.277 1 0 IKAFRN O=C(c1cc2c(cn1)sc1ccccc12)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000026834461 563037276 /nfs/dbraw/zinc/03/72/76/563037276.db2.gz RCJPCNJEVWXXPI-UHFFFAOYSA-N 0 0 435.980 5.451 1 0 IKAFRN CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=C(C(F)(F)F)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000026843069 563037490 /nfs/dbraw/zinc/03/74/90/563037490.db2.gz VEYYQTYTWHFDDG-VEWWAGGTSA-N 0 0 439.562 5.982 1 0 IKAFRN CCOC(=O)[C@H](C(C)C)N1C(=O)[C@H](C)S[C@@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000026967811 563038314 /nfs/dbraw/zinc/03/83/14/563038314.db2.gz ZZHAMFBGKAHKHC-UIDQEFQQSA-N 0 0 438.593 5.365 1 0 IKAFRN O=C1C2=C(CN1C1CCCC1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000026967230 563038341 /nfs/dbraw/zinc/03/83/41/563038341.db2.gz LVLFILHVAUBCLH-IBGZPJMESA-N 0 0 445.332 5.161 1 0 IKAFRN CN1c2ccc(Cl)cc2C(c2ccc(O)cc2)=N[C@H](Cc2cnc3ccccc3c2)C1=O ZINC000026996537 563038871 /nfs/dbraw/zinc/03/88/71/563038871.db2.gz JVIJSRUGCCFWOA-HSZRJFAPSA-N 0 0 441.918 5.019 1 0 IKAFRN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2nc3ccc(C(F)(F)F)cc3c(O)c21 ZINC000027085627 563039144 /nfs/dbraw/zinc/03/91/44/563039144.db2.gz KNGMTLZITVIIMX-NSHDSACASA-N 0 0 425.328 5.478 1 0 IKAFRN O=C1C[C@@H](c2ccc(Cl)cc2Cl)Cc2nc3c(Cl)ccc(Cl)c3c(O)c21 ZINC000027088687 563039226 /nfs/dbraw/zinc/03/92/26/563039226.db2.gz HYVLFMMPQDWTLH-QMMMGPOBSA-N 0 0 427.114 6.054 1 0 IKAFRN CCCCOc1ccc([C@@H]2[C@H](CCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000027186487 563040178 /nfs/dbraw/zinc/04/01/78/563040178.db2.gz PLZRCCADDGBGNM-WUFINQPMSA-N 0 0 443.587 6.601 1 0 IKAFRN COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc([S@@](C)=O)cc2)cc1 ZINC000027197986 563040490 /nfs/dbraw/zinc/04/04/90/563040490.db2.gz PRQWWDVKMLWBIA-UOMUQXIMSA-N 0 0 433.573 5.160 1 0 IKAFRN COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1C(C)C ZINC000027201463 563040646 /nfs/dbraw/zinc/04/06/46/563040646.db2.gz GIFLEBHAGNNGFV-UHFFFAOYSA-N 0 0 433.777 6.341 1 0 IKAFRN COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000027205596 563040771 /nfs/dbraw/zinc/04/07/71/563040771.db2.gz VRPKMETXWJPNFU-AOYPEHQESA-N 0 0 431.532 5.439 1 0 IKAFRN CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027330476 563041680 /nfs/dbraw/zinc/04/16/80/563041680.db2.gz XXIKKMLIDXLAIK-IZSBMLLGSA-N 0 0 436.592 6.239 1 0 IKAFRN Cc1cc(-c2c(F)cc3c4nn(C5CCCCC5)c(=O)c-4cn(C4CC4)c3c2F)cc(C)n1 ZINC000027330201 563041698 /nfs/dbraw/zinc/04/16/98/563041698.db2.gz HTFKMEUHGVSKQP-UHFFFAOYSA-N 0 0 448.517 6.100 1 0 IKAFRN Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)cc2Cl)n2ccnc2)c(Cl)c1 ZINC000027423799 563042136 /nfs/dbraw/zinc/04/21/36/563042136.db2.gz BHLRUOGOYQUJHE-FQEVSTJZSA-N 0 0 437.157 7.130 1 0 IKAFRN Cc1cc(C)n(CCCCCC[S@@](=O)c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1 ZINC000027426420 563042163 /nfs/dbraw/zinc/04/21/63/563042163.db2.gz TVSPJKIQOPZAPE-YTTGMZPUSA-N 0 0 446.620 5.925 1 0 IKAFRN CC(C)C(=O)N1C[C@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000027522772 563042838 /nfs/dbraw/zinc/04/28/38/563042838.db2.gz WOEHEKXZXRTOLZ-OXQOHEQNSA-N 0 0 428.743 5.608 1 0 IKAFRN O=C1CC[C@]2(c3ccc4oc5ccccc5c4c3)O[C@H](COc3ccc(Cl)cc3)CN12 ZINC000027523099 563042840 /nfs/dbraw/zinc/04/28/40/563042840.db2.gz DKZOJMVAJSGTQF-UQBPGWFLSA-N 0 0 433.891 5.492 1 0 IKAFRN COC(=O)c1c(SC)cc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)c(Cl)c1 ZINC000027524364 563042993 /nfs/dbraw/zinc/04/29/93/563042993.db2.gz OQDGXABPTGERGJ-UHFFFAOYSA-N 0 0 437.775 7.489 1 0 IKAFRN COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(C(=O)OC(C)C)c(C(=O)OC(C)C)cc3C=C[C@H]12 ZINC000027526084 563043253 /nfs/dbraw/zinc/04/32/53/563043253.db2.gz PEUPYPPJZSWODT-BYXVTNLJSA-N 0 0 442.552 5.081 1 0 IKAFRN Cc1c(Br)cc(Br)c2ncc(CSCc3ccccc3)n21 ZINC000027560915 563044221 /nfs/dbraw/zinc/04/42/21/563044221.db2.gz NSJBWFYWKLKYFJ-UHFFFAOYSA-N 0 0 426.177 5.601 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)C[C@@H](O)c2cc(O)c(C)c(C)c2O1 ZINC000027622455 563044577 /nfs/dbraw/zinc/04/45/77/563044577.db2.gz RTMPQUPEXZWPHH-OYUSZVBFSA-N 0 0 426.641 7.783 1 0 IKAFRN CCCCC/C=C/C/C=C/CCCCCCC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1 ZINC000027626255 563044668 /nfs/dbraw/zinc/04/46/68/563044668.db2.gz PXZDWRCURFZFQA-AJCWGFOLSA-N 0 0 426.685 8.906 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(C(C)(C)C)cc2O1 ZINC000027626898 563044672 /nfs/dbraw/zinc/04/46/72/563044672.db2.gz LHBQGWGYEWJHRW-RWWUKFIOSA-N 0 0 438.696 8.973 1 0 IKAFRN COc1ccc(O[C@@H](CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000027629788 563044757 /nfs/dbraw/zinc/04/47/57/563044757.db2.gz UEZYAUDEJBRRAT-NDEPHWFRSA-N 0 0 447.550 6.220 1 0 IKAFRN CC(C)(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000027651807 563045233 /nfs/dbraw/zinc/04/52/33/563045233.db2.gz QLFJBQCFNCGPCF-WRBWEIJPSA-N 0 0 445.534 5.932 1 0 IKAFRN COc1ccc(-c2cc(-c3ccccc3)nc(C(C)C)c2/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)cc1 ZINC000027657356 563045306 /nfs/dbraw/zinc/04/53/06/563045306.db2.gz RHFOAKIAPXDZKW-DOZDWOLESA-N 0 0 443.543 5.627 1 0 IKAFRN O[C@@H](CCCN1CCc2c(c3cc(F)ccc3n2-c2ccccc2)C1)c1ccc(F)cc1 ZINC000027726037 563045989 /nfs/dbraw/zinc/04/59/89/563045989.db2.gz LITJZIGKHVGYFL-MHZLTWQESA-N 0 0 432.514 5.781 1 0 IKAFRN O=C(CCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027725968 563046021 /nfs/dbraw/zinc/04/60/21/563046021.db2.gz HNXGJBYRNOHGNV-UHFFFAOYSA-N 0 0 434.461 5.679 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000027730901 563046060 /nfs/dbraw/zinc/04/60/60/563046060.db2.gz CDKAMGZLXLOSQF-UIQPFIAFSA-N 0 0 437.668 7.370 1 0 IKAFRN O[C@H](CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccccc1 ZINC000027732453 563046185 /nfs/dbraw/zinc/04/61/85/563046185.db2.gz TVVIIUQNFRQZBO-HHHXNRCGSA-N 0 0 432.514 5.781 1 0 IKAFRN C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@@H]2C3=CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000027763495 563046971 /nfs/dbraw/zinc/04/69/71/563046971.db2.gz ZMOAZIJFXBMABY-ULRFGFEGSA-N 0 0 428.701 6.917 1 0 IKAFRN C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000027763519 563046982 /nfs/dbraw/zinc/04/69/82/563046982.db2.gz ZMOAZIJFXBMABY-IBXXQEJVSA-N 0 0 428.701 6.917 1 0 IKAFRN C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027763503 563047010 /nfs/dbraw/zinc/04/70/10/563047010.db2.gz ZMOAZIJFXBMABY-ICXCSOTCSA-N 0 0 428.701 6.917 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2C3=CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027763533 563047014 /nfs/dbraw/zinc/04/70/14/563047014.db2.gz RZLZHALRFKMVTR-BMPQXNTOSA-N 0 0 428.701 6.916 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@@H]2C3=CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000027763541 563047028 /nfs/dbraw/zinc/04/70/28/563047028.db2.gz RZLZHALRFKMVTR-UBTGSHOQSA-N 0 0 428.701 6.916 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2C3=CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000027763548 563047031 /nfs/dbraw/zinc/04/70/31/563047031.db2.gz RZLZHALRFKMVTR-JQXAHAQFSA-N 0 0 428.701 6.916 1 0 IKAFRN O=S(=O)(/C=C/c1ccc(F)cc1F)Cc1ccc(Nc2ncnc3ccccc32)cc1 ZINC000027767731 563047081 /nfs/dbraw/zinc/04/70/81/563047081.db2.gz YDIJAZTYLRSURH-VAWYXSNFSA-N 0 0 437.471 5.237 1 0 IKAFRN O[C@@H](CCCN1Cc2c3cc(F)ccc3n(-c3ccc(F)cc3)c2C1)c1ccc(F)cc1 ZINC000027768256 563047102 /nfs/dbraw/zinc/04/71/02/563047102.db2.gz MDAGIYDZFPGBEP-SANMLTNESA-N 0 0 436.477 5.877 1 0 IKAFRN CCc1nn(-c2ccccn2)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl ZINC000027846476 563047294 /nfs/dbraw/zinc/04/72/94/563047294.db2.gz OUJHRWKGYOQFTR-UHFFFAOYSA-N 0 0 442.003 6.236 1 0 IKAFRN O=C(c1cc(Cl)cc(Cl)c1)N(C(=S)OCCOc1ccccc1)c1ccccc1 ZINC000027866976 563047550 /nfs/dbraw/zinc/04/75/50/563047550.db2.gz IJLMEFFRGWXVNZ-UHFFFAOYSA-N 0 0 446.355 6.021 1 0 IKAFRN Cc1cc(C(=O)c2c(N)sc3c2CCN(Cc2ccccc2)C3)cc2ccc(Cl)cc12 ZINC000027890653 563048088 /nfs/dbraw/zinc/04/80/88/563048088.db2.gz CHCLSQMVRDENHR-UHFFFAOYSA-N 0 0 447.003 6.235 1 0 IKAFRN CCC(CC)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 ZINC000027899044 563048259 /nfs/dbraw/zinc/04/82/59/563048259.db2.gz YNAMVFSBFMILIU-IVIOQTJTSA-N 0 0 446.628 5.366 1 0 IKAFRN COc1cc2nccc(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3F)c2cc1OC ZINC000027985937 563048740 /nfs/dbraw/zinc/04/87/40/563048740.db2.gz DRSXYMINBGBLTF-UHFFFAOYSA-N 0 0 446.522 7.225 1 0 IKAFRN COc1cc2nccc(Oc3ccc(NC4CCC(C(C)(C)C)CC4)cc3)c2cc1OC ZINC000027989907 563048987 /nfs/dbraw/zinc/04/89/87/563048987.db2.gz MGGAROKMOBSMTE-UHFFFAOYSA-N 0 0 434.580 7.061 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@@H]1CC(=O)N[C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000027995407 563049091 /nfs/dbraw/zinc/04/90/91/563049091.db2.gz OMWDKTDFTFCYDM-VJFMXWJXSA-N 0 0 429.689 6.257 1 0 IKAFRN CCc1nc2c(nc(C)cc2C)n1[C@H]1CCCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21 ZINC000028022232 563050156 /nfs/dbraw/zinc/05/01/56/563050156.db2.gz PXZXEXJYCNMVNB-QHCPKHFHSA-N 0 0 449.562 5.383 1 0 IKAFRN COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000028062199 563050200 /nfs/dbraw/zinc/05/02/00/563050200.db2.gz UYTJBJPLDXRSJS-VWLOTQADSA-N 0 0 441.556 6.183 1 0 IKAFRN COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000028062202 563050213 /nfs/dbraw/zinc/05/02/13/563050213.db2.gz UYTJBJPLDXRSJS-RUZDIDTESA-N 0 0 441.556 6.183 1 0 IKAFRN O=C(Nc1ccc(Br)cn1)c1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000028562875 563057656 /nfs/dbraw/zinc/05/76/56/563057656.db2.gz GNXWMDUGMWZVJO-UHFFFAOYSA-N 0 0 443.153 5.451 1 0 IKAFRN CCCN1C(=O)c2ccccc2[C@]1(OCc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1 ZINC000028118740 563051049 /nfs/dbraw/zinc/05/10/49/563051049.db2.gz CSKXZPCSBBCYHI-MUUNZHRXSA-N 0 0 448.006 6.921 1 0 IKAFRN CCc1nc2n(c1C(=O)N(CCC(F)(F)F)CC1CC1)CCN2c1c(C)cc(C)cc1C ZINC000028126252 563051213 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5.477 1 0 IKAFRN COc1ccc([C@@H](c2ccc3ccccc3c2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028219026 563051597 /nfs/dbraw/zinc/05/15/97/563051597.db2.gz CHWFVHOGGFETFZ-SANMLTNESA-N 0 0 426.512 5.923 1 0 IKAFRN FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN1CC=CC1 ZINC000028138119 563051647 /nfs/dbraw/zinc/05/16/47/563051647.db2.gz JZADKYGFGFSVPV-UHFFFAOYSA-N 0 0 428.694 6.238 1 0 IKAFRN COc1ccc([C@@H](c2cc(C(C)(C)C)ccc2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028221864 563051730 /nfs/dbraw/zinc/05/17/30/563051730.db2.gz NUBFEJCIDFBSHN-AREMUKBSSA-N 0 0 432.560 6.068 1 0 IKAFRN COc1ccc2c(c1)OC[C@H]1c3cc(O)c(OCc4cccc5ccccc54)cc3O[C@@H]21 ZINC000028234010 563051928 /nfs/dbraw/zinc/05/19/28/563051928.db2.gz DANVKHMTBIAALE-CUNXSJBXSA-N 0 0 426.468 5.743 1 0 IKAFRN Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028236749 563051986 /nfs/dbraw/zinc/05/19/86/563051986.db2.gz PJSHSVCQMVWYTF-UHFFFAOYSA-N 0 0 444.966 6.230 1 0 IKAFRN Cc1ccc([C@@H](c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)n2ccnc2)cc1 ZINC000028234959 563052022 /nfs/dbraw/zinc/05/20/22/563052022.db2.gz ZIQMGLHLIIJUHD-QHCPKHFHSA-N 0 0 436.342 6.388 1 0 IKAFRN CC(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000028262383 563052452 /nfs/dbraw/zinc/05/24/52/563052452.db2.gz JZZMDHQYBFQRMW-ROUWMTJPSA-N 0 0 444.744 7.077 1 0 IKAFRN O=C(c1cnc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1)N1CCCCC1 ZINC000028333649 563052648 /nfs/dbraw/zinc/05/26/48/563052648.db2.gz MVBCVQCUGBLHOZ-UHFFFAOYSA-N 0 0 445.777 7.002 1 0 IKAFRN Cn1c(C(=O)NC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000028336573 563052760 /nfs/dbraw/zinc/05/27/60/563052760.db2.gz NLHNOVPBFCSLAT-UHFFFAOYSA-N 0 0 448.781 6.387 1 0 IKAFRN Cn1c(=O)c(-c2c(Cl)cccc2C(F)(F)F)cc2cnc(Nc3ccccc3)nc21 ZINC000028341654 563052844 /nfs/dbraw/zinc/05/28/44/563052844.db2.gz ALUWXRODNZKFAY-UHFFFAOYSA-N 0 0 430.817 5.411 1 0 IKAFRN CCCC[C@@H](CC)CNc1ncnc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc21 ZINC000028346949 563053078 /nfs/dbraw/zinc/05/30/78/563053078.db2.gz QHYGMKOVGQKLPW-QGZVFWFLSA-N 0 0 447.533 6.660 1 0 IKAFRN CC(C)c1ccccc1Sc1ccc(-c2cc(N(C)C(C)C)ncn2)cc1C(F)(F)F ZINC000028356875 563053360 /nfs/dbraw/zinc/05/33/60/563053360.db2.gz YYCCOHSORPUJOI-UHFFFAOYSA-N 0 0 445.554 7.282 1 0 IKAFRN COc1ccc2c(c1)CC[C@@H]([C@@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)Nc1ccccc1)C2 ZINC000028362289 563053515 /nfs/dbraw/zinc/05/35/15/563053515.db2.gz XLXBPYJJAKTAKZ-BQXMOOCUSA-N 0 0 435.564 5.177 1 0 IKAFRN Cc1cc(NC(=S)N[C@H](C)c2ccc(F)cc2)ccc1NC(=O)c1ccccc1F ZINC000028362627 563053517 /nfs/dbraw/zinc/05/35/17/563053517.db2.gz PDCXXGAUIABRGY-OAHLLOKOSA-N 0 0 425.504 5.573 1 0 IKAFRN COc1ccc2c(c1)CC[C@H]([C@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)Nc1ccccc1)C2 ZINC000028362295 563053542 /nfs/dbraw/zinc/05/35/42/563053542.db2.gz XLXBPYJJAKTAKZ-GUFCLIDSSA-N 0 0 435.564 5.177 1 0 IKAFRN O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SCCCO ZINC000028370362 563053757 /nfs/dbraw/zinc/05/37/57/563053757.db2.gz DZEGTIULGLYTAR-UHFFFAOYSA-N 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563055114 /nfs/dbraw/zinc/05/51/14/563055114.db2.gz PAFWQWTXOBRCJN-UHFFFAOYSA-N 0 0 444.343 6.608 1 0 IKAFRN CC(C)(CCCCOCCCCC(C)(C)CO[C@@H]1CCCCO1)CO[C@@H]1CCCCO1 ZINC000028461343 563055116 /nfs/dbraw/zinc/05/51/16/563055116.db2.gz GNRRIRCEOUUBNX-DNQXCXABSA-N 0 0 442.681 6.482 1 0 IKAFRN Cn1cc(-c2ccc(-n3cccc3)cc2)c([C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 ZINC000028467789 563055331 /nfs/dbraw/zinc/05/53/31/563055331.db2.gz DEKRDBRWCDKYAG-RUZDIDTESA-N 0 0 447.369 6.624 1 0 IKAFRN CCCc1c2ccn(C(C)C)c2ccc1OCCCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000028468417 563055378 /nfs/dbraw/zinc/05/53/78/563055378.db2.gz BEYOWLBQYUYGPR-UHFFFAOYSA-N 0 0 433.556 5.593 1 0 IKAFRN Cn1cc(-c2cccc3ccccc32)c([C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 ZINC000028466912 563055395 /nfs/dbraw/zinc/05/53/95/563055395.db2.gz CHNKNGSGNRZHCK-RUZDIDTESA-N 0 0 432.354 6.986 1 0 IKAFRN CCCN(CC1CC1)C(=O)c1c(C)nc2n1c1cc(F)ccc1n2-c1c(C)cc(C)cc1C ZINC000028468962 563055436 /nfs/dbraw/zinc/05/54/36/563055436.db2.gz MHIWUZZWJGRGFA-UHFFFAOYSA-N 0 0 446.570 5.913 1 0 IKAFRN COC/C=C/c1ccc(CN(C(=O)C2CCCCC2)c2cccc(/C=C/C(=O)OC)c2)cc1 ZINC000028469307 563055453 /nfs/dbraw/zinc/05/54/53/563055453.db2.gz GVUYXZBBEHNZTP-UUPYSRSKSA-N 0 0 447.575 5.646 1 0 IKAFRN Clc1ccc2c(c1)nccc2Nc1cccc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000028470572 563055475 /nfs/dbraw/zinc/05/54/75/563055475.db2.gz YIOPLEOETVRVPP-UHFFFAOYSA-N 0 0 431.326 7.577 1 0 IKAFRN Cc1c(C(C)(C)C)nc2c(-c3cccc(O)c3)c(-c3ccc(O)cc3)nn2c1C(C)(C)C ZINC000028473750 563055650 /nfs/dbraw/zinc/05/56/50/563055650.db2.gz NSODAUFSVXOQBO-UHFFFAOYSA-N 0 0 429.564 6.378 1 0 IKAFRN Brc1cnc(Nc2ccc3[nH]cnc3c2)nc1N[C@H]1CCCc2ccccc21 ZINC000028522945 563056184 /nfs/dbraw/zinc/05/61/84/563056184.db2.gz JONSRNZJYAZYTE-KRWDZBQOSA-N 0 0 435.329 5.349 1 0 IKAFRN CC(C)(C[C@@](O)(CCc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1 ZINC000028525081 563056602 /nfs/dbraw/zinc/05/66/02/563056602.db2.gz CTRKFGYVXQHNDJ-NDEPHWFRSA-N 0 0 443.543 5.027 1 0 IKAFRN COc1cccc(C(=O)N2CCCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028525427 563056634 /nfs/dbraw/zinc/05/66/34/563056634.db2.gz UKAHZXRHPDREGU-UHFFFAOYSA-N 0 0 442.968 5.677 1 0 IKAFRN O=C(Oc1ccc(Cl)cc1Cl)c1cccnc1Nc1ccnc(C(F)(F)F)c1 ZINC000028530460 563057575 /nfs/dbraw/zinc/05/75/75/563057575.db2.gz YZFOJNMOKLUASZ-UHFFFAOYSA-N 0 0 428.197 5.765 1 0 IKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(Oc2c(Cl)cccc2Cl)n1 ZINC000028563032 563057663 /nfs/dbraw/zinc/05/76/63/563057663.db2.gz OPWVNAKURVHSGP-UHFFFAOYSA-N 0 0 433.238 6.513 1 0 IKAFRN CCOc1ccc(-n2c(C)c3c(c2C)c(NCc2ccc4c(n2)NCCC4)nnc3C)cc1 ZINC000028569204 563058694 /nfs/dbraw/zinc/05/86/94/563058694.db2.gz WXQFPQYDFWSNIJ-UHFFFAOYSA-N 0 0 442.567 5.110 1 0 IKAFRN CCC[C@@H](O)c1cnc([C@@H](C)CC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569220 563058725 /nfs/dbraw/zinc/05/87/25/563058725.db2.gz YPDHBJDSZAAURZ-BLLLJJGKSA-N 0 0 438.412 5.532 1 0 IKAFRN O=C(c1ccccc1)N1N=C(c2ccc(Br)s2)C[C@H]1c1ccc(Cl)cc1 ZINC000028569659 563058880 /nfs/dbraw/zinc/05/88/80/563058880.db2.gz MKUZSJJSXPJCDY-KRWDZBQOSA-N 0 0 445.769 6.156 1 0 IKAFRN Cc1ccnn1-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)c(C(F)(F)F)c1 ZINC000028569996 563059028 /nfs/dbraw/zinc/05/90/28/563059028.db2.gz VSRZYUKCFUGODB-UHFFFAOYSA-N 0 0 449.436 5.499 1 0 IKAFRN C[C@@H](OC[C@@]1(c2ccccc2)CN(C)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028569755 563059034 /nfs/dbraw/zinc/05/90/34/563059034.db2.gz LLSCCRZEAHDGPJ-BFUOFWGJSA-N 0 0 446.391 5.352 1 0 IKAFRN O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1CC(F)(F)F ZINC000028570279 563059069 /nfs/dbraw/zinc/05/90/69/563059069.db2.gz KRDSFDHCRNWEMI-UHFFFAOYSA-N 0 0 439.224 5.118 1 0 IKAFRN COc1ccc(NCCNC(=O)[C@@H](CC(C)C)Oc2ccccc2-c2ccccc2)cc1 ZINC000028570998 563059218 /nfs/dbraw/zinc/05/92/18/563059218.db2.gz BQUFZKSFNJHBFQ-AREMUKBSSA-N 0 0 432.564 5.384 1 0 IKAFRN CCCCO[C@H]1[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H](c2ccccc2)[C@@H]1OCCCC ZINC000028571674 563059375 /nfs/dbraw/zinc/05/93/75/563059375.db2.gz HQOWMCCPRKODPK-IQKWJPHWSA-N 0 0 440.580 5.611 1 0 IKAFRN COc1ccc(NCCNC(=O)[C@@H](CC(C)C)Oc2ccc(Oc3ccccc3)cc2)cc1 ZINC000028572114 563059462 /nfs/dbraw/zinc/05/94/62/563059462.db2.gz YXIDMSYSWZDFOL-AREMUKBSSA-N 0 0 448.563 5.509 1 0 IKAFRN CCC(=O)Nc1ccc2nc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@@H]34)ccc2c1 ZINC000028572462 563059554 /nfs/dbraw/zinc/05/95/54/563059554.db2.gz YLECZSFAZFNGTC-UFGMQQEISA-N 0 0 432.564 5.601 1 0 IKAFRN COc1ccc2[nH]cc(CCCCCCCCCCCCCCCCCCO)c2c1OC ZINC000028639337 563059974 /nfs/dbraw/zinc/05/99/74/563059974.db2.gz FTPSYWJLPSZTLR-UHFFFAOYSA-N 0 0 445.688 7.962 1 0 IKAFRN C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=CCO)[C@H](O)C3)CCC[C@]21C ZINC000028645563 563060693 /nfs/dbraw/zinc/06/06/93/563060693.db2.gz YNIUCOAOVZEMHY-SBOHFYHJSA-N 0 0 446.672 5.067 1 0 IKAFRN CCCCCCc1c(O)cccc1OCCCCCCCCCCCC(=O)NCCO ZINC000028649218 563061060 /nfs/dbraw/zinc/06/10/60/563061060.db2.gz XPJFBDPWHWLIOG-UHFFFAOYSA-N 0 0 435.649 5.903 1 0 IKAFRN O=C1S/C(=C\c2sc(Cl)nc2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000028650466 563061065 /nfs/dbraw/zinc/06/10/65/563061065.db2.gz 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ZINC000028713122 563063068 /nfs/dbraw/zinc/06/30/68/563063068.db2.gz MCAKKMBYVBUYSQ-UHFFFAOYSA-N 0 0 441.494 5.549 1 0 IKAFRN CCOc1ccc(-n2c(C)c3c(c2C)c(-c2ccc(OC(F)(F)F)cc2)nnc3C)cc1 ZINC000028756340 563063371 /nfs/dbraw/zinc/06/33/71/563063371.db2.gz ZGSPTBBLXWOPHE-UHFFFAOYSA-N 0 0 441.453 6.310 1 0 IKAFRN CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NCc2ccccc2)cc1 ZINC000028760725 563063645 /nfs/dbraw/zinc/06/36/45/563063645.db2.gz TWUJKYFPPSDBMW-UHFFFAOYSA-N 0 0 425.960 5.255 1 0 IKAFRN Oc1cc2c(cc1CCCOc1ccc(C3N=NN=N3)cc1)O[C@H](CCc1ccccc1)C2 ZINC000028760697 563063677 /nfs/dbraw/zinc/06/36/77/563063677.db2.gz NJENEYMNBSYNKP-HSZRJFAPSA-N 0 0 442.519 6.172 1 0 IKAFRN Clc1ccc(CC[C@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028766959 563064247 /nfs/dbraw/zinc/06/42/47/563064247.db2.gz YUANOLWCHMZDBJ-GHTZIAJQSA-N 0 0 437.754 5.745 1 0 IKAFRN COc1ccc(CC[C@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 ZINC000028768633 563064253 /nfs/dbraw/zinc/06/42/53/563064253.db2.gz FKNBVWMLDHPIHH-SIKLNZKXSA-N 0 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CCOC(=O)C[C@H](CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1)C(C)C ZINC000028821678 563065454 /nfs/dbraw/zinc/06/54/54/563065454.db2.gz RZJZSMOCWTXXTM-SANMLTNESA-N 0 0 446.635 7.311 1 0 IKAFRN CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000028823171 563065846 /nfs/dbraw/zinc/06/58/46/563065846.db2.gz HZSIJLACSNPTDP-ZDUSSCGKSA-N 0 0 435.895 5.235 1 0 IKAFRN CCCc1nnn(-c2c(Br)cc(C(F)(F)F)cc2Br)c1C ZINC000028825613 563066275 /nfs/dbraw/zinc/06/62/75/563066275.db2.gz QJMNBCZNCXOESN-UHFFFAOYSA-N 0 0 427.062 5.072 1 0 IKAFRN CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@H](C)c3ccccc3)cc2)c1 ZINC000028822760 563065753 /nfs/dbraw/zinc/06/57/53/563065753.db2.gz HLDSMJBDGJWNMP-GOSISDBHSA-N 0 0 439.515 5.382 1 0 IKAFRN Cn1nc(C(F)(F)F)c(C=C2SC(=S)NC2=O)c1Sc1ccc(Cl)cc1 ZINC000028822812 563065776 /nfs/dbraw/zinc/06/57/76/563065776.db2.gz NLTQTZDFGXEACB-POHAHGRESA-N 0 0 435.905 5.573 1 0 IKAFRN C[C@@H](c1ccccc1)n1ccnc1C1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000028822944 563065853 /nfs/dbraw/zinc/06/58/53/563065853.db2.gz JXUWRZZEVUREMV-QHCPKHFHSA-N 0 0 435.571 5.715 1 0 IKAFRN CC(C)(C)OC(=O)n1c(-c2ccc(CCNC(=O)c3ccccc3)cc2)cc2ccccc21 ZINC000028822980 563065856 /nfs/dbraw/zinc/06/58/56/563065856.db2.gz CANDDIRWDWFMQO-UHFFFAOYSA-N 0 0 440.543 6.064 1 0 IKAFRN C[C@H](C1CCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823223 563065938 /nfs/dbraw/zinc/06/59/38/563065938.db2.gz QFAZGRCQNSLFAZ-CQSZACIVSA-N 0 0 428.381 5.260 1 0 IKAFRN CC[C@@]1(C[C@@](O)(Cc2cc(Cl)nc3ccccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826170 563066409 /nfs/dbraw/zinc/06/64/09/563066409.db2.gz HCXOEHYNUWUKAG-ZEQRLZLVSA-N 0 0 447.928 6.799 1 0 IKAFRN CC[C@]1(C[C@](O)(CNc2cccc3cnccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826243 563066475 /nfs/dbraw/zinc/06/64/75/563066475.db2.gz CNAHGVBTDVLLSD-RPWUZVMVSA-N 0 0 428.498 6.015 1 0 IKAFRN CC[C@]1(C[C@](O)(CNc2cccc3nc(C)ccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826214 563066488 /nfs/dbraw/zinc/06/64/88/563066488.db2.gz XJFFZMILSHZEQK-RPBOFIJWSA-N 0 0 442.525 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428.576 6.177 1 0 IKAFRN CCC(CC)(c1ccc(OC(=O)N(C(C)C)C(C)C)cc1)c1ccc(N(C)C(C)=O)cc1 ZINC000028950168 563069470 /nfs/dbraw/zinc/06/94/70/563069470.db2.gz CJTPLYUHOOXKDM-UHFFFAOYSA-N 0 0 438.612 6.393 1 0 IKAFRN COc1ccc(Cl)cc1-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1 ZINC000028952652 563069845 /nfs/dbraw/zinc/06/98/45/563069845.db2.gz IGIJXNHGHSMYTP-UHFFFAOYSA-N 0 0 437.912 5.258 1 0 IKAFRN CCCO[C@H]1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2Cc1ccc(OC)cc1 ZINC000028955702 563070190 /nfs/dbraw/zinc/07/01/90/563070190.db2.gz UUUNKOINEPNIGQ-MHZLTWQESA-N 0 0 425.528 5.863 1 0 IKAFRN COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@@H](OCC(C)C)c2ccccc2-3)cc1 ZINC000028955730 563070262 /nfs/dbraw/zinc/07/02/62/563070262.db2.gz PTLYWBXDLJZGQD-NDEPHWFRSA-N 0 0 439.555 6.109 1 0 IKAFRN CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OC1CC1 ZINC000028956476 563070335 /nfs/dbraw/zinc/07/03/35/563070335.db2.gz LQZHSSVWXFJEPH-LADGPHEKSA-N 0 0 430.552 5.354 1 0 IKAFRN CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OC(C)C ZINC000028956417 563070336 /nfs/dbraw/zinc/07/03/36/563070336.db2.gz SKFGLBGENUOICG-LADGPHEKSA-N 0 0 432.568 5.600 1 0 IKAFRN COc1ccc2c(c1)CC[C@H](NC(=O)Nc1cccc3cnccc31)[C@@H]2Cc1ccccc1 ZINC000028959133 563070626 /nfs/dbraw/zinc/07/06/26/563070626.db2.gz HLMMYNCSAQLMGG-VPUSJEBWSA-N 0 0 437.543 5.706 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@H]1CCc2cc(Cl)ccc2[C@H]1Cc1ccccc1 ZINC000028959232 563070639 /nfs/dbraw/zinc/07/06/39/563070639.db2.gz RHIDQKHRPVMEGG-RSXGOPAZSA-N 0 0 441.962 6.351 1 0 IKAFRN CC(=O)Nc1nc2c(cccc2Oc2ncnc(-c3ccc(C(F)(F)F)cc3)c2N)s1 ZINC000028961083 563070701 /nfs/dbraw/zinc/07/07/01/563070701.db2.gz DOXXUQVVKOKEOG-UHFFFAOYSA-N 0 0 445.426 5.105 1 0 IKAFRN Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)NCc1ccccc1 ZINC000029038330 563071654 /nfs/dbraw/zinc/07/16/54/563071654.db2.gz RMPUYTVQLZBLCI-UHFFFAOYSA-N 0 0 432.574 5.671 1 0 IKAFRN CCCN(CCn1ccnc1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc21 ZINC000029037826 563071674 /nfs/dbraw/zinc/07/16/74/563071674.db2.gz YMYNXVXNDOYIHZ-UHFFFAOYSA-N 0 0 428.580 5.949 1 0 IKAFRN Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)C2CCCCC2)cc1 ZINC000029039039 563071920 /nfs/dbraw/zinc/07/19/20/563071920.db2.gz URTRVFWUUAICBJ-UHFFFAOYSA-N 0 0 427.548 5.385 1 0 IKAFRN COc1ccc(-c2nn3ccc(NC(C)C)cc3c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000029039897 563071929 /nfs/dbraw/zinc/07/19/29/563071929.db2.gz RMANLZQDOIEBGU-UHFFFAOYSA-N 0 0 442.567 5.642 1 0 IKAFRN Cc1ccccc1-c1c(OC[C@@H]2COC(C)(C)O2)nc2ccccc2c1-c1ccncc1 ZINC000029040265 563072021 /nfs/dbraw/zinc/07/20/21/563072021.db2.gz MGSDFQPGIGFLCV-HXUWFJFHSA-N 0 0 426.516 5.803 1 0 IKAFRN CC(=O)OC/C=C(\C)CCC1=C(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C ZINC000029041985 563072146 /nfs/dbraw/zinc/07/21/46/563072146.db2.gz ZCSONGATRIIYBY-WBAUYTFCSA-N 0 0 448.600 5.302 1 0 IKAFRN O=C(Cc1ccccc1)Nc1ccn(Cc2cc(Cl)ccc2OCc2ccccc2)n1 ZINC000029043200 563072310 /nfs/dbraw/zinc/07/23/10/563072310.db2.gz IBMLTYHTAMIFMN-UHFFFAOYSA-N 0 0 431.923 5.345 1 0 IKAFRN Cc1cc(NC(=O)OCC(C)C)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029043467 563072345 /nfs/dbraw/zinc/07/23/45/563072345.db2.gz FUOTYLXOGMRCOF-UHFFFAOYSA-N 0 0 427.932 5.677 1 0 IKAFRN CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(OC)cc1 ZINC000029045563 563072504 /nfs/dbraw/zinc/07/25/04/563072504.db2.gz AZKJRJYZWANEPF-UHFFFAOYSA-N 0 0 442.519 6.188 1 0 IKAFRN O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H](c1ccccc1)N3CC(F)(F)F ZINC000029045985 563072610 /nfs/dbraw/zinc/07/26/10/563072610.db2.gz MDOUYWPWXICVMI-MRXNPFEDSA-N 0 0 428.332 5.049 1 0 IKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4c(Cl)cccc4Cl)cc3)oc2c(C)c1 ZINC000029048725 563072813 /nfs/dbraw/zinc/07/28/13/563072813.db2.gz DIQRCUKFXZHWCH-UHFFFAOYSA-N 0 0 441.314 6.436 1 0 IKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4ccccc4C(F)(F)F)cc3)oc2c(C)c1 ZINC000029049612 563073000 /nfs/dbraw/zinc/07/30/00/563073000.db2.gz IICIVLBBDHVVJR-UHFFFAOYSA-N 0 0 440.421 6.148 1 0 IKAFRN Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(OC(F)(F)F)ccc3o2)cc1 ZINC000029049431 563073002 /nfs/dbraw/zinc/07/30/02/563073002.db2.gz DQYQLELWEMGKRN-UHFFFAOYSA-N 0 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ZINC000029058071 563073596 /nfs/dbraw/zinc/07/35/96/563073596.db2.gz WYKGMUQLKNNCBA-XQNSMLJCSA-N 0 0 439.902 5.553 1 0 IKAFRN CCc1cc(-c2ccc(C(=O)CC(C)(C)C(=O)NCc3cccnc3)cc2)ccc1OC ZINC000029123266 563073832 /nfs/dbraw/zinc/07/38/32/563073832.db2.gz RNLXBAUSXRWBCY-UHFFFAOYSA-N 0 0 430.548 5.235 1 0 IKAFRN COc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1OC)CCc1ccc-2cc1 ZINC000029124353 563074128 /nfs/dbraw/zinc/07/41/28/563074128.db2.gz HMOXHHMJBYTUJK-UHFFFAOYSA-N 0 0 436.551 7.047 1 0 IKAFRN CC(C)c1ccc(NC(=O)Cc2cs/c(=N/c3ccc(C(F)(F)F)cc3)n2C)cc1 ZINC000029124808 563074201 /nfs/dbraw/zinc/07/42/01/563074201.db2.gz DTFPHMOHXIMWBY-SZXQPVLSSA-N 0 0 433.499 5.642 1 0 IKAFRN O=C(c1ccccc1)N1N=C(c2ccc(-c3ccccc3)cc2)C[C@@H]1c1ccccc1Cl ZINC000029128858 563075199 /nfs/dbraw/zinc/07/51/99/563075199.db2.gz QKRWKKPKPKWXBV-HHHXNRCGSA-N 0 0 436.942 6.999 1 0 IKAFRN CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128898 563075333 /nfs/dbraw/zinc/07/53/33/563075333.db2.gz QUDKCXJSFPLCSM-RROAGRCYSA-N 0 0 434.686 5.554 1 0 IKAFRN Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)c12 ZINC000029129232 563075376 /nfs/dbraw/zinc/07/53/76/563075376.db2.gz KDFQAERRZQLBCW-UHFFFAOYSA-N 0 0 430.365 5.009 1 0 IKAFRN CC(C)Cn1cnc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)nc21 ZINC000029130744 563075610 /nfs/dbraw/zinc/07/56/10/563075610.db2.gz WVRVCBOBBRMCCQ-UHFFFAOYSA-N 0 0 429.474 6.090 1 0 IKAFRN Cc1nc2ccc(-c3nc(-c4c(F)cccc4F)[nH]c3-c3ccccc3)cc2n1CC(C)C ZINC000029130883 563075612 /nfs/dbraw/zinc/07/56/12/563075612.db2.gz YUKWWDANXQPDGD-UHFFFAOYSA-N 0 0 442.513 7.003 1 0 IKAFRN CCOC(=O)c1c(N)sc(-c2cccc(C(C)=O)c2)c1-c1cccc(C(F)(F)F)c1 ZINC000029132640 563075756 /nfs/dbraw/zinc/07/57/56/563075756.db2.gz LBEKPCZTPDTHCN-UHFFFAOYSA-N 0 0 433.451 6.062 1 0 IKAFRN CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1)C=C4)O[C@H](C)CC3=O ZINC000029133257 563075910 /nfs/dbraw/zinc/07/59/10/563075910.db2.gz NZPJILIUHUBLLF-ACJLOTCBSA-N 0 0 436.891 5.900 1 0 IKAFRN CCCC[C@H]1C=Cc2c3c(c4oc(=O)cc(CCC(F)(F)F)c4c2O1)C(=O)C[C@H](C)O3 ZINC000029133488 563075965 /nfs/dbraw/zinc/07/59/65/563075965.db2.gz IABROMSHKZJLPK-JSGCOSHPSA-N 0 0 436.426 5.606 1 0 IKAFRN CCCCNc1nc2ccc(CNc3cc(C)cc(C)c3)cc2n1Cc1nc(C)ccc1O ZINC000029134212 563076045 /nfs/dbraw/zinc/07/60/45/563076045.db2.gz BCWQSHDDNDBQOS-UHFFFAOYSA-N 0 0 443.595 5.935 1 0 IKAFRN O=C1C[C@H](c2cccc(Br)c2)c2c(ccc3cc(Br)ccc32)O1 ZINC000029136135 563076308 /nfs/dbraw/zinc/07/63/08/563076308.db2.gz XFSJRBRIPSJKSB-MRXNPFEDSA-N 0 0 432.111 5.806 1 0 IKAFRN CCCC(=O)c1c(=O)n([C@@H](C)CO)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000029208838 563076525 /nfs/dbraw/zinc/07/65/25/563076525.db2.gz GNRYMFISVLBYIL-AWEZNQCLSA-N 0 0 445.346 5.420 1 0 IKAFRN CCOC(=O)c1ccc(NCCCCCCCCCCCCCCCC(F)(F)F)cc1 ZINC000029216745 563076724 /nfs/dbraw/zinc/07/67/24/563076724.db2.gz VYQFDMSYMNKLSF-UHFFFAOYSA-N 0 0 443.594 8.299 1 0 IKAFRN CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCCCC2 ZINC000029340062 563078376 /nfs/dbraw/zinc/07/83/76/563078376.db2.gz FZMKOFDCRNAIEL-UHFFFAOYSA-N 0 0 426.568 5.390 1 0 IKAFRN Cc1ccc(Cn2c(Oc3ccccc3)nc3c2nc(C(F)(F)F)nc3N(C)C)cc1 ZINC000029391673 563079032 /nfs/dbraw/zinc/07/90/32/563079032.db2.gz SEQTXTISUYZIQS-UHFFFAOYSA-N 0 0 427.430 5.060 1 0 IKAFRN CCc1nc2c(c(C)nn2-c2ccc(C(C)C)cc2Br)n1Cc1ccccc1 ZINC000029404180 563079433 /nfs/dbraw/zinc/07/94/33/563079433.db2.gz MCNMNLAZIZBDLY-UHFFFAOYSA-N 0 0 437.385 6.027 1 0 IKAFRN CS(=O)(=O)Nc1ccc(-c2cc(C(F)F)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000029408172 563079599 /nfs/dbraw/zinc/07/95/99/563079599.db2.gz WYQAKTRWTBBDJF-UHFFFAOYSA-N 0 0 432.279 5.155 1 0 IKAFRN COc1cccc2c1CC[C@H](c1ccccc1)[C@@H]2NC(=O)C(c1ccccc1)c1ccccc1 ZINC000029412391 563079886 /nfs/dbraw/zinc/07/98/86/563079886.db2.gz JXTPQAIBAATZAO-RNAHPLFWSA-N 0 0 447.578 6.415 1 0 IKAFRN Cn1c(=O)c2c(-c3ccccc3)nn(-c3cccc(Br)c3)c2c2ccccc21 ZINC000029413639 563079941 /nfs/dbraw/zinc/07/99/41/563079941.db2.gz RKOYGPHBEKVKNX-UHFFFAOYSA-N 0 0 430.305 5.307 1 0 IKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)N[C@H](CO)C[C@]4(C)[C@H]3CC[C@]12C ZINC000029471938 563080733 /nfs/dbraw/zinc/08/07/33/563080733.db2.gz HFSRYBKUQYKSPJ-ULUCHOHESA-N 0 0 431.705 6.195 1 0 IKAFRN CCOCc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 ZINC000029476330 563080929 /nfs/dbraw/zinc/08/09/29/563080929.db2.gz DTSBHNXGHWMZCF-ACCUITESSA-N 0 0 435.886 5.280 1 0 IKAFRN Fc1ccc(C(CCCN2CCc3[nH]c4ccc(F)cc4c3C2)c2ccc(F)cc2)cc1 ZINC000029486686 563081425 /nfs/dbraw/zinc/08/14/25/563081425.db2.gz FDZCICPSBGWJFW-UHFFFAOYSA-N 0 0 434.505 6.556 1 0 IKAFRN Cc1ncccc1Oc1ccc(NC(=O)N2CCc3c2cc(Cl)c(C)c3Cl)cn1 ZINC000029489012 563081452 /nfs/dbraw/zinc/08/14/52/563081452.db2.gz NKXYELGYGCHEOC-UHFFFAOYSA-N 0 0 429.307 5.787 1 0 IKAFRN Cc1cn(CCCC2CCCCC2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000029544211 563081528 /nfs/dbraw/zinc/08/15/28/563081528.db2.gz VYLHRODYBXCVOV-UHFFFAOYSA-N 0 0 444.406 7.264 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ncccc1Cl ZINC000029544945 563081643 /nfs/dbraw/zinc/08/16/43/563081643.db2.gz YIZBXGFREIYYAF-UHFFFAOYSA-N 0 0 447.970 6.965 1 0 IKAFRN Cc1cc2c(cc1Cl)N(C(=O)Nc1cnc(Oc3cccnc3C)c(Cl)c1)CC2 ZINC000029544536 563081654 /nfs/dbraw/zinc/08/16/54/563081654.db2.gz GTCYVVVSPQMWQW-UHFFFAOYSA-N 0 0 429.307 5.787 1 0 IKAFRN O=C(Cc1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)OCc1ccccc1 ZINC000029546992 563081763 /nfs/dbraw/zinc/08/17/63/563081763.db2.gz SWUKKWSXXMLNDK-UHFFFAOYSA-N 0 0 437.539 5.969 1 0 IKAFRN CCCCCCc1ccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)nc1 ZINC000029553300 563082005 /nfs/dbraw/zinc/08/20/05/563082005.db2.gz KZUJCSPPJKPBDV-UHFFFAOYSA-N 0 0 435.593 5.699 1 0 IKAFRN O=S(=O)(Oc1ccccc1)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000029570422 563083065 /nfs/dbraw/zinc/08/30/65/563083065.db2.gz LQYZLQQJRLKQPQ-UHFFFAOYSA-N 0 0 432.497 5.046 1 0 IKAFRN Cc1c(C)c(SC(F)(F)C(F)F)ccc1NC(=O)NC(=O)c1c(F)cccc1F ZINC000031500163 563083399 /nfs/dbraw/zinc/08/33/99/563083399.db2.gz YHULVFCFFMQFOP-UHFFFAOYSA-N 0 0 436.377 5.494 1 0 IKAFRN COc1ccc(C2=NO[C@]3(SCc4ccccc4C3=O)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000031909860 563083843 /nfs/dbraw/zinc/08/38/43/563083843.db2.gz BLYMEWHJKISCOO-RDGATRHJSA-N 0 0 431.513 5.048 1 0 IKAFRN CCOC(=O)C[C@]1(O)CCCCC1(Sc1ccc(C)cc1)Sc1ccc(C)cc1 ZINC000031905707 563083862 /nfs/dbraw/zinc/08/38/62/563083862.db2.gz MOCHMAWTQNGFJB-HSZRJFAPSA-N 0 0 430.635 6.142 1 0 IKAFRN C[C@@H](c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1)[C@@H](C)CCCc1ccc(F)cc1 ZINC000031983092 563083951 /nfs/dbraw/zinc/08/39/51/563083951.db2.gz IDJOGASRLKFGOQ-HSALFYBXSA-N 0 0 436.611 8.038 1 0 IKAFRN CCC(=O)C(CCCCCCCCCCOc1ccc(OC)cc1Cl)=C(O)CC ZINC000032138861 563084133 /nfs/dbraw/zinc/08/41/33/563084133.db2.gz PIMVJNYOKDUEIN-UHFFFAOYSA-N 0 0 425.009 6.813 1 0 IKAFRN C[C@@]1([C@@H](NC(=O)Cc2ccccc2)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CCCCC1 ZINC000033363676 563084379 /nfs/dbraw/zinc/08/43/79/563084379.db2.gz YMXJUBYHIDHEPY-LHGWWSMPSA-N 0 0 437.627 7.360 1 0 IKAFRN CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1 ZINC000033363678 563084394 /nfs/dbraw/zinc/08/43/94/563084394.db2.gz DDTBFBGMUOTQFO-WGHVJBFBSA-N 0 0 446.034 8.085 1 0 IKAFRN Clc1ccc([C@@H](COc2ccc(Br)cc2)Cn2ccnc2)c(Cl)c1 ZINC000033493820 563084495 /nfs/dbraw/zinc/08/44/95/563084495.db2.gz HUFOMRFPRSVNOQ-CYBMUJFWSA-N 0 0 426.141 5.815 1 0 IKAFRN Cc1ccn2c(c1)nc(-c1ccccc1OC(=O)C1CCCC1)c2NC(C)(C)CC(C)(C)C ZINC000033789516 563084686 /nfs/dbraw/zinc/08/46/86/563084686.db2.gz WZZRZUQWXSWPND-UHFFFAOYSA-N 0 0 447.623 7.032 1 0 IKAFRN COc1c2c(c3c(c1OC)CN(C(=O)CC(c1ccccc1)c1ccccc1)CC3)CCC2 ZINC000033826949 563084778 /nfs/dbraw/zinc/08/47/78/563084778.db2.gz XKVHBBWLWNWCJV-UHFFFAOYSA-N 0 0 441.571 5.299 1 0 IKAFRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]2CC[C@]2(C)Nc4c(cnn4-c4ccccc4)C[C@@H]32)C1 ZINC000033849425 563084878 /nfs/dbraw/zinc/08/48/78/563084878.db2.gz XVVJHYWVIHHEOR-GBQMVUELSA-N 0 0 445.607 5.693 1 0 IKAFRN CC(=CCc1cc(O)cc(C)c1O)CC(=O)C[C@@]1(C)C[C@H]2C([O-])=CC(=O)C[C@]1(C)C2(C)C ZINC000033954056 563085064 /nfs/dbraw/zinc/08/50/64/563085064.db2.gz NOCISAZINLIHQQ-SYBXDPBWSA-N 0 0 440.580 6.200 1 0 IKAFRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)ccc1O ZINC000033964928 563085081 /nfs/dbraw/zinc/08/50/81/563085081.db2.gz RHNWUOJJYHDFQF-UHFFFAOYSA-N 0 0 428.126 5.445 1 0 IKAFRN CC#C[C@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4c(c3)OCO4)C[C@@]21C ZINC000033970496 563085128 /nfs/dbraw/zinc/08/51/28/563085128.db2.gz DFELGYQKEOCHOA-PNWBBWMBSA-N 0 0 430.544 5.069 1 0 investigational IKAFRN O=C(NCc1ccc(C(=O)N2CCCCc3ccccc32)cc1)Nc1c(F)cccc1F ZINC000034047350 563085469 /nfs/dbraw/zinc/08/54/69/563085469.db2.gz CHVDHGULKQMPAV-UHFFFAOYSA-N 0 0 435.474 5.270 1 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/c1ccccc1C(F)(F)F ZINC000034047731 563085485 /nfs/dbraw/zinc/08/54/85/563085485.db2.gz WSMPLUQFTPBNJI-NYFISDDFSA-N 0 0 442.521 6.712 1 0 in-vitro IKAFRN CCOC(=O)N1CCC(=O)C[C@@H]1C/C=C/[P@@]1(=O)O[C@H](c2ccccc2)[C@@H](C)N1C(C)C ZINC000034172002 563085740 /nfs/dbraw/zinc/08/57/40/563085740.db2.gz WRHCAISPSIPKAB-WEILWPROSA-N 0 0 448.500 5.144 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cc(F)ccc2[nH]1)C(F)(F)F ZINC000034323841 563086121 /nfs/dbraw/zinc/08/61/21/563086121.db2.gz HFWXCPFGOCGJDK-NRFANRHFSA-N 0 0 427.413 5.659 1 0 IKAFRN FC(F)(F)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)cnc32)cc1 ZINC000034323992 563086124 /nfs/dbraw/zinc/08/61/24/563086124.db2.gz RNWMGFPVPGBMKE-UHFFFAOYSA-N 0 0 435.331 5.868 1 0 IKAFRN COc1ccc([C@@H]2SCc3c(sc(N)c3C(=O)c3ccc(Cl)cc3)S2)cc1 ZINC000034352387 563086191 /nfs/dbraw/zinc/08/61/91/563086191.db2.gz MTNPHHFAVRMOFO-LJQANCHMSA-N 0 0 434.007 6.261 1 0 IKAFRN COc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1-c1c(Br)cnn1C ZINC000034565916 563086334 /nfs/dbraw/zinc/08/63/34/563086334.db2.gz BQDQNHMUANFRRQ-UHFFFAOYSA-N 0 0 435.709 5.156 1 0 IKAFRN COc1ccc(-c2cc3c(c(=O)o2)C[C@H]2[C@@](C)(CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]42C)O3)cc1 ZINC000034518651 563086352 /nfs/dbraw/zinc/08/63/52/563086352.db2.gz ZAYVSCMOIFKFEU-KCXTWHPGSA-N 0 0 438.564 5.222 1 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000034569930 563086365 /nfs/dbraw/zinc/08/63/65/563086365.db2.gz ITNIPUJWTIIATR-NJEIJUFLSA-N 0 0 442.521 6.712 1 0 IKAFRN CC[C@@H](NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034570808 563086417 /nfs/dbraw/zinc/08/64/17/563086417.db2.gz VMMMBCJXTBUYKN-QFIPXVFZSA-N 0 0 425.421 6.000 3 0 IKAFRN CCCN1N=C2/C(=C/c3ccc(Cl)cc3)CS(=O)(=O)C[C@H]2[C@H]1c1ccc(Cl)cc1 ZINC000034588892 563086465 /nfs/dbraw/zinc/08/64/65/563086465.db2.gz PBVUABNYOBNMIK-LOEGHEPLSA-N 0 0 449.403 5.244 1 0 IKAFRN CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)c(C)c3)C[C@@]21C ZINC000034802078 563087601 /nfs/dbraw/zinc/08/76/01/563087601.db2.gz CXHCCXWTWCTAPK-DQFOBABISA-N 0 0 430.588 5.658 1 0 IKAFRN N=C(Nc1ccc2[nH]cc(C3CCN(C(=O)c4ccccc4)CC3)c2c1)c1cccs1 ZINC000034805988 563087892 /nfs/dbraw/zinc/08/78/92/563087892.db2.gz LNWYIZBTQOVQNS-UHFFFAOYSA-N 0 0 428.561 5.687 1 0 IKAFRN O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1-c1ccc(Br)cc1 ZINC000034821303 563088134 /nfs/dbraw/zinc/08/81/34/563088134.db2.gz OCKGYHHJPPCJJI-UHFFFAOYSA-N 0 0 425.713 5.392 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1S(C)(=O)=O)c1ccccc1 ZINC000034983329 563088598 /nfs/dbraw/zinc/08/85/98/563088598.db2.gz XUXIBWRIMCCUMW-NRFANRHFSA-N 0 0 444.556 5.186 1 0 IKAFRN COc1ccc([C@H]2C=CC[C@H](OCc3ccccc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000034960811 563088601 /nfs/dbraw/zinc/08/86/01/563088601.db2.gz KPIIYCCTXPDMPE-RRPNLBNLSA-N 0 0 445.534 5.840 3 0 IKAFRN O=c1ccn2c(-c3ccc(F)cc3F)cccc2c1-c1c(F)cc(-c2nnco2)cc1F ZINC000034984356 563088615 /nfs/dbraw/zinc/08/86/15/563088615.db2.gz SUUWTKVQWYDNTC-UHFFFAOYSA-N 0 0 437.352 5.240 1 0 IKAFRN O=C1[C@H]2[C@@H](C=CC[C@@H]2c2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000034961354 563088625 /nfs/dbraw/zinc/08/86/25/563088625.db2.gz WYYXBFAZCDHMPY-POTDNYQPSA-N 0 0 447.500 6.765 3 0 IKAFRN COc1cc(C(=O)c2sc(-c3ccc(Cl)c(Cl)c3)cc2N)cc(OC)c1OC ZINC000035065315 563089148 /nfs/dbraw/zinc/08/91/48/563089148.db2.gz PPKGQPUVCPOZCH-UHFFFAOYSA-N 0 0 438.332 5.561 1 0 IKAFRN COc1cc(C(=O)c2sc(-c3ccc(Br)cc3)cc2N)cc(OC)c1OC ZINC000035065317 563089141 /nfs/dbraw/zinc/08/91/41/563089141.db2.gz GJDVCEHBWHFFIB-UHFFFAOYSA-N 0 0 448.338 5.017 1 0 IKAFRN COc1cc(C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)cc2N)cc(OC)c1OC ZINC000035065333 563089146 /nfs/dbraw/zinc/08/91/46/563089146.db2.gz CNMJWDDLJOFSMB-UHFFFAOYSA-N 0 0 437.439 5.273 1 0 IKAFRN CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1C)C(=O)C(C)(C)C ZINC000035130604 563089446 /nfs/dbraw/zinc/08/94/46/563089446.db2.gz FAZNPSQRINJVBD-UHFFFAOYSA-N 0 0 426.605 5.010 1 0 IKAFRN O=C(NCCCCNc1ccnc2cc(Cl)ccc21)c1ccc(Br)cc1 ZINC000035190652 563089467 /nfs/dbraw/zinc/08/94/67/563089467.db2.gz RGEOMGDZALAFGG-UHFFFAOYSA-N 0 0 432.749 5.273 1 0 IKAFRN O=C(NCCCCNc1ccnc2cc(Cl)ccc21)C(c1ccccc1)c1ccccc1 ZINC000035190628 563089471 /nfs/dbraw/zinc/08/94/71/563089471.db2.gz IXMNQLKMWFJEEF-UHFFFAOYSA-N 0 0 443.978 6.029 1 0 IKAFRN CCCCCCc1ccc(C(=O)NCCCCNc2ccnc3cc(Cl)ccc32)cc1 ZINC000035190677 563089475 /nfs/dbraw/zinc/08/94/75/563089475.db2.gz GWFVDUAWTOFTQU-UHFFFAOYSA-N 0 0 438.015 6.633 1 0 IKAFRN CCCc1cc(Cl)cc(-c2c3cc(C(F)(F)F)ccc3n(C)c(=O)c2CCO)c1O ZINC000035259910 563089647 /nfs/dbraw/zinc/08/96/47/563089647.db2.gz IVTLKUQFHJADBK-UHFFFAOYSA-N 0 0 439.861 5.071 1 0 IKAFRN COCCn1nc(N)c2c1cccc2-c1ccc(NC(=O)Nc2cc(C)ccc2F)cc1 ZINC000035324652 563089897 /nfs/dbraw/zinc/08/98/97/563089897.db2.gz VAWVZAYWTUKBNV-UHFFFAOYSA-N 0 0 433.487 5.023 1 0 IKAFRN O=C([O-])C[C@@H]1C[NH2+][C@@H](c2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)C1 ZINC000035849449 563090109 /nfs/dbraw/zinc/09/01/09/563090109.db2.gz AEINVRKYWDZAKS-UZUQRXQVSA-N 0 0 431.536 5.577 1 0 IKAFRN COc1ccc(N(C(=O)NCc2ccccc2Cl)c2ccnc(NC(C)C)n2)cc1 ZINC000035969663 563090550 /nfs/dbraw/zinc/09/05/50/563090550.db2.gz JQTLOPYARSABOF-UHFFFAOYSA-N 0 0 425.920 5.007 1 0 IKAFRN S=C(N1CCC(c2cccc(Br)c2)=N1)N1CCC(Cc2ccccc2)CC1 ZINC000035998154 563090713 /nfs/dbraw/zinc/09/07/13/563090713.db2.gz XPBCHOQXFZLQLP-UHFFFAOYSA-N 0 0 442.426 5.099 1 0 IKAFRN CC[C@@H](CNC(=O)c1ccc(-c2ccnc(NC)n2)s1)c1ccc(Cl)cc1Cl ZINC000036144116 563091287 /nfs/dbraw/zinc/09/12/87/563091287.db2.gz DJJRJUQWSOKPLQ-LBPRGKRZSA-N 0 0 435.380 5.477 1 0 IKAFRN CCCCCn1c2ccc(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000036161202 563091443 /nfs/dbraw/zinc/09/14/43/563091443.db2.gz VIQZLWYWXRJJTI-UHFFFAOYSA-N 0 0 432.907 5.894 1 0 IKAFRN CN1CC[C@](O)(c2ccc(Cl)cc2Cl)[C@H](C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000036177294 563091585 /nfs/dbraw/zinc/09/15/85/563091585.db2.gz FEIRROBBFMUCJM-KXBFYZLASA-N 0 0 433.162 5.322 1 0 IKAFRN O=C([O-])C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)c(F)c4)n3)cc2)[NH2+]1 ZINC000036178496 563091682 /nfs/dbraw/zinc/09/16/82/563091682.db2.gz GNLKZOCFPXHKNV-SIKLNZKXSA-N 0 0 435.499 5.468 1 0 IKAFRN Nc1ncc2cc(-c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3Cl)ccc2n1 ZINC000036187665 563091833 /nfs/dbraw/zinc/09/18/33/563091833.db2.gz COCBLXXASLXQGL-UHFFFAOYSA-N 0 0 442.828 5.804 1 0 IKAFRN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc2ccccc21 ZINC000036188532 563091845 /nfs/dbraw/zinc/09/18/45/563091845.db2.gz XOIXQAQAVFEYCG-URASWHAFSA-N 0 0 442.603 5.692 1 0 IKAFRN CCCCCN(C(=O)CCC)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036189653 563091941 /nfs/dbraw/zinc/09/19/41/563091941.db2.gz WBGPDNKNLSWTLR-PNTMCDISSA-N 0 0 444.704 6.037 1 0 IKAFRN CCCCCn1cc(C(=O)c2cccc3ccccc32)cc1-c1cccc(C(F)(F)F)c1 ZINC000036294613 563092651 /nfs/dbraw/zinc/09/26/51/563092651.db2.gz GETLFVZYXNFVJS-UHFFFAOYSA-N 0 0 435.489 7.748 1 0 in-vivo IKAFRN CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000036294978 563092688 /nfs/dbraw/zinc/09/26/88/563092688.db2.gz MVMHIMFXUANMIR-ZRYFUDBVSA-N 0 0 444.700 5.742 1 0 in-vivo IKAFRN C=C/C(=C\CC/C(C)=C/CC/C=C(\C)CCC[C@H](C)CC[C@H]1O[C@H]1C)CCC=C(C)C ZINC000036351378 563093271 /nfs/dbraw/zinc/09/32/71/563093271.db2.gz SQNGRFWURHATRC-QEACHGDVSA-N 0 0 426.729 9.672 1 0 IKAFRN CC(C)(C)OC(=O)Nc1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000036379092 563093550 /nfs/dbraw/zinc/09/35/50/563093550.db2.gz PBBFTQAMAYRELA-FQEVSTJZSA-N 0 0 425.488 6.263 1 0 IKAFRN O=C(Cc1ccccc1)Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000036379109 563093613 /nfs/dbraw/zinc/09/36/13/563093613.db2.gz QUVMAECBIAMORA-RUZDIDTESA-N 0 0 443.506 6.097 3 0 IKAFRN O=c1oc2ccc(F)cc2c2c1[C@H]1O[C@](c3ccsc3)(Cc3c4ccccc4ccc31)O2 ZINC000036379250 563093630 /nfs/dbraw/zinc/09/36/30/563093630.db2.gz KKWXEGXJIXTMBC-JYFHCDHNSA-N 0 0 442.467 6.054 1 0 IKAFRN Cc1cc2c(s1)c1cnn(Cc3cc(C(F)(F)F)cc(Cl)c3F)c(=O)c1n2C ZINC000036380294 563093652 /nfs/dbraw/zinc/09/36/52/563093652.db2.gz OOBDTSROLDJDQF-UHFFFAOYSA-N 0 0 429.826 5.118 1 0 IKAFRN C[C@@H]1CC2=CCC[C@@H]2[C@]2(O1)C(=O)N(Cc1ccc(F)cc1)c1cccc(Br)c12 ZINC000036381960 563093823 /nfs/dbraw/zinc/09/38/23/563093823.db2.gz OUPJNVDJJPRGFC-XZRIDHLOSA-N 0 0 442.328 5.476 3 0 IKAFRN COc1cc(-c2nc3ccccn3c2NCc2ccccc2)ccc1SC1CCCCC1 ZINC000036382301 563093905 /nfs/dbraw/zinc/09/39/05/563093905.db2.gz XBVOCTLSYGTROZ-UHFFFAOYSA-N 0 0 443.616 7.047 3 0 IKAFRN CCCCCCSc1cccc(-c2nc3cc(C)ccn3c2NCc2ccccc2)c1 ZINC000036382309 563093963 /nfs/dbraw/zinc/09/39/63/563093963.db2.gz BLPRQLLKEKNVQU-UHFFFAOYSA-N 0 0 429.633 7.594 3 0 IKAFRN C[C@@H]1CCC(=O)N(CC[C@H](Sc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000036383014 563094134 /nfs/dbraw/zinc/09/41/34/563094134.db2.gz BBOAVRGCOHHJAR-UTKZUKDTSA-N 0 0 432.427 6.321 3 0 IKAFRN COc1ccc(CNC(=O)[C@]2(C)CCC[C@@]3(C)[C@H]4CC[C@@]5(C)C[C@@]4(CC5=O)CC[C@H]23)cc1 ZINC000036387942 563094667 /nfs/dbraw/zinc/09/46/67/563094667.db2.gz YLHJJCIMCUBIGM-IXNGEBPUSA-N 0 0 437.624 5.684 3 0 IKAFRN C[C@]12CCC=C[C@H]1[C@H](c1ccc3ccccc3c1Br)N(Cc1ccccc1)C2=O ZINC000036388192 563094800 /nfs/dbraw/zinc/09/48/00/563094800.db2.gz MKUQHWSYDVIMFL-GVUKDKGQSA-N 0 0 446.388 6.658 1 0 IKAFRN COc1ccc(-c2oc(=O)c3cc(OC)c(OC)cc3c2/C=C/c2ccc(F)cc2)cc1 ZINC000036388925 563094967 /nfs/dbraw/zinc/09/49/67/563094967.db2.gz FZWOJQZREIHBHC-AWNIVKPZSA-N 0 0 432.447 5.795 3 0 IKAFRN CC(=O)O[C@H]1C[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3C[C@@H](O)[C@]2(C)c2cocc21 ZINC000036402545 563095056 /nfs/dbraw/zinc/09/50/56/563095056.db2.gz JRKYCNUZXAQLDW-PVRRMCBNSA-N 0 0 428.613 6.175 1 0 IKAFRN CCCC(=O)c1cnc2c(I)cccc2c1Nc1ccccc1C ZINC000036418450 563095214 /nfs/dbraw/zinc/09/52/14/563095214.db2.gz FNWFDLOQCJSLRM-UHFFFAOYSA-N 0 0 430.289 5.874 1 0 IKAFRN CC(C)[C@H]1CC[C@H]([C@@]2(O)CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@H](O)O1 ZINC000036444805 563095286 /nfs/dbraw/zinc/09/52/86/563095286.db2.gz RIRPYZYGFSEJSK-XPWOJOHSSA-N 0 0 432.645 5.099 1 0 IKAFRN CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1 ZINC000036486799 563095670 /nfs/dbraw/zinc/09/56/70/563095670.db2.gz HWGVPMPYDKYYCH-UHFFFAOYSA-N 0 0 439.046 5.059 1 0 IKAFRN CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000036485845 563095721 /nfs/dbraw/zinc/09/57/21/563095721.db2.gz MYDAHVLZPZRGIL-UHFFFAOYSA-N 0 0 439.046 5.059 1 0 IKAFRN C[C@@H]1CC2=CCC[C@H]2[C@]2(O1)C(=O)N(Cc1ccc(F)cc1)c1cccc(Br)c12 ZINC000038142354 563096064 /nfs/dbraw/zinc/09/60/64/563096064.db2.gz OUPJNVDJJPRGFC-CGROQTEOSA-N 0 0 442.328 5.476 3 0 IKAFRN O=c1c2c([nH]n1-c1ccc(C(F)(F)F)cc1)N[C@@H](c1ncccc1C(F)(F)F)CC2 ZINC000038156645 563096752 /nfs/dbraw/zinc/09/67/52/563096752.db2.gz AOKAGHIHXNUEDC-CQSZACIVSA-N 0 0 428.336 5.110 1 0 IKAFRN CC[C@H](CN(C(=O)c1ccccc1)c1cccc(Cl)c1)OC(=O)NCc1ccccc1 ZINC000038232244 563097180 /nfs/dbraw/zinc/09/71/80/563097180.db2.gz JCCZNTVBVJVUAP-HSZRJFAPSA-N 0 0 436.939 5.692 1 0 IKAFRN COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3ccc(Cl)c(C)c3)c1NC2 ZINC000038253918 563097274 /nfs/dbraw/zinc/09/72/74/563097274.db2.gz OKGVOIUSIQQDGY-UHFFFAOYSA-N 0 0 428.945 5.584 1 0 IKAFRN CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C ZINC000038320584 563097418 /nfs/dbraw/zinc/09/74/18/563097418.db2.gz NCGLCBITYFKBDE-UHFFFAOYSA-N 0 0 449.736 5.546 1 0 IKAFRN Cc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000038412929 563097647 /nfs/dbraw/zinc/09/76/47/563097647.db2.gz SCNBWTRGKZBRIY-UHFFFAOYSA-N 0 0 448.370 6.781 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cccc(F)c2[nH]1)C(F)(F)F ZINC000038412511 563097719 /nfs/dbraw/zinc/09/77/19/563097719.db2.gz BCWFWNBNYVPLRF-OAQYLSRUSA-N 0 0 427.413 5.659 1 0 IKAFRN CC(C)=CCC[C@H](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=O ZINC000038800676 563098323 /nfs/dbraw/zinc/09/83/23/563098323.db2.gz TVMGQCAMNPECHD-VGYIVZNUSA-N 0 0 440.712 7.658 1 0 IKAFRN CC(C)c1[nH+]ccc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CC[C@@H]1CC(=O)[O-] ZINC000038840233 563098428 /nfs/dbraw/zinc/09/84/28/563098428.db2.gz DUBMQSMUGSQPDR-GFCCVEGCSA-N 0 0 435.376 6.580 1 0 IKAFRN Cc1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 ZINC000038908297 563098523 /nfs/dbraw/zinc/09/85/23/563098523.db2.gz KACVTGKCOLBAOJ-UHFFFAOYSA-N 0 0 445.376 5.582 1 0 IKAFRN COC(=O)C=CNc1cc(-c2ccncc2)nc2c1c(C)c(C)n2[C@H](C)c1ccccc1 ZINC000039107417 563098736 /nfs/dbraw/zinc/09/87/36/563098736.db2.gz SEZGEXLLEMMUPM-LJQBUTKESA-N 0 0 426.520 5.423 1 0 IKAFRN O=C(c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1)c1ccccc1 ZINC000039206991 563098814 /nfs/dbraw/zinc/09/88/14/563098814.db2.gz NYQGRRYTJIZSCD-UHFFFAOYSA-N 0 0 428.491 6.001 1 0 IKAFRN CCCCCOc1ccc(Nc2cc(C)nc3ccc4[nH]cnc4c32)cc1OCCCCC ZINC000039214860 563098891 /nfs/dbraw/zinc/09/88/91/563098891.db2.gz FBSXFIZYPUBICY-UHFFFAOYSA-N 0 0 446.595 7.301 1 0 IKAFRN COC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242680 563098979 /nfs/dbraw/zinc/09/89/79/563098979.db2.gz ASDWEMAWCZRMOH-HXUWFJFHSA-N 0 0 436.813 6.444 1 0 IKAFRN COC(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242703 563098995 /nfs/dbraw/zinc/09/89/95/563098995.db2.gz UMIJYUKMKLJIOJ-FQEVSTJZSA-N 0 0 437.706 6.732 1 0 IKAFRN COC(=O)[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000039242768 563099001 /nfs/dbraw/zinc/09/90/01/563099001.db2.gz SLCHNYWACOBUPH-QHCPKHFHSA-N 0 0 440.992 7.082 1 0 IKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5ccsc5)cnn4c3N)cc2)c1 ZINC000040379186 563099384 /nfs/dbraw/zinc/09/93/84/563099384.db2.gz AQDKLUJYKQRNDT-UHFFFAOYSA-N 0 0 440.532 5.659 1 0 IKAFRN COc1cccc(-c2ncc(Cc3ccc(Cl)cc3)n2C2CCC3(CC2)OCCO3)c1 ZINC000040391186 563099742 /nfs/dbraw/zinc/09/97/42/563099742.db2.gz LRIIIXSAXXTARY-UHFFFAOYSA-N 0 0 438.955 5.661 1 0 IKAFRN Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C(=O)N3CCCC3)c2)c1 ZINC000040391982 563099815 /nfs/dbraw/zinc/09/98/15/563099815.db2.gz ITROVDJOIPDCOB-UHFFFAOYSA-N 0 0 442.946 6.892 1 0 IKAFRN O=C(Nc1cccc(Br)c1)c1nscc1NCc1ccc2ccccc2n1 ZINC000040393069 563100088 /nfs/dbraw/zinc/10/00/88/563100088.db2.gz HDMVKFBSOGSVEF-UHFFFAOYSA-N 0 0 439.338 5.318 1 0 IKAFRN COc1ccc(C2=Nn3c(nnc3-c3cc(Cl)cc(Cl)c3Cl)SC2)cc1 ZINC000040393294 563100181 /nfs/dbraw/zinc/10/01/81/563100181.db2.gz BWBLDIOPJDXGHY-UHFFFAOYSA-N 0 0 425.728 5.272 1 0 IKAFRN CCOC(=O)[C@H](Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)c1ccccc1 ZINC000040393643 563100295 /nfs/dbraw/zinc/10/02/95/563100295.db2.gz BSULAJVIYMOMRF-HXUWFJFHSA-N 0 0 427.957 5.887 1 0 IKAFRN COC1=C(C)C(=O)O/C1=C\[C@@H](C)CCC/C(C)=C/CC/C(C)=C/CCC1=C[C@H](O)OC1=O ZINC000040394242 563100353 /nfs/dbraw/zinc/10/03/53/563100353.db2.gz YFUGMUILKDDXKV-WUTWXFGASA-N 0 0 444.568 5.409 1 0 IKAFRN COC1=C(C)C(=O)OC1=C[C@@H](C)CCC/C(C)=C/C/C=C(\C)CCC(=O)c1ccoc1 ZINC000040394871 563100536 /nfs/dbraw/zinc/10/05/36/563100536.db2.gz VBYUTWUMIKPGLL-ILAUTSFZSA-N 0 0 426.553 6.693 1 0 IKAFRN Cc1[nH]c(C)c(-c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c(=O)c1Br ZINC000040394893 563100649 /nfs/dbraw/zinc/10/06/49/563100649.db2.gz PJGPDSZXWHEAQG-UHFFFAOYSA-N 0 0 438.243 6.232 1 0 IKAFRN CC(C)P(=O)(Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)C(C)C ZINC000040395513 563100792 /nfs/dbraw/zinc/10/07/92/563100792.db2.gz IOURSVZYUGYLLC-UHFFFAOYSA-N 0 0 440.549 6.930 1 0 IKAFRN CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000040401385 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563110344 /nfs/dbraw/zinc/11/03/44/563110344.db2.gz QCSPVJXQGJUTIE-UHFFFAOYSA-N 0 0 430.932 5.252 1 0 IKAFRN Cc1ccc(-c2c(C(=O)NN3CCCCC3)cnn2-c2ccc(Cl)cc2Cl)cc1 ZINC000040897552 563110683 /nfs/dbraw/zinc/11/06/83/563110683.db2.gz CZFXFZZCNOBAQP-UHFFFAOYSA-N 0 0 429.351 5.285 1 0 IKAFRN COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OC ZINC000040914749 563111275 /nfs/dbraw/zinc/11/12/75/563111275.db2.gz CBIHKNQEUSGCEN-UHFFFAOYSA-N 0 0 444.516 5.676 1 0 IKAFRN CCCCCc1cccc2c1[nH]c(-c1ccccc1)c2C1=C(Br)C(=O)NC1=O ZINC000040917731 563111603 /nfs/dbraw/zinc/11/16/03/563111603.db2.gz NHFABUWLSPYULH-UHFFFAOYSA-N 0 0 437.337 5.330 1 0 IKAFRN O=C(NCCC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000040917680 563111607 /nfs/dbraw/zinc/11/16/07/563111607.db2.gz AJSPXZGDXSOKJL-MUUNZHRXSA-N 0 0 439.986 6.810 1 0 IKAFRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(N)c(Cl)c1 ZINC000040917959 563111719 /nfs/dbraw/zinc/11/17/19/563111719.db2.gz BYCBVTAUYYXCCF-UHFFFAOYSA-N 0 0 448.832 5.149 1 0 IKAFRN CN(C)c1cc(Cc2ccc(Cl)c(Oc3cccc(Br)c3)c2)n[nH]c1=O ZINC000040918944 563111958 /nfs/dbraw/zinc/11/19/58/563111958.db2.gz LDKKFRJBZVHNRZ-UHFFFAOYSA-N 0 0 434.721 5.047 1 0 IKAFRN N=C1SC(=Cc2c[nH]nc2-c2ccc(-c3ccc(F)cc3)cc2)C(=O)N1c1nccs1 ZINC000040918984 563111960 /nfs/dbraw/zinc/11/19/60/563111960.db2.gz KIDJUIOOWOLFTO-JERZPRFUSA-N 0 0 447.520 5.395 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1cc(OC)ccc1C ZINC000040919107 563112051 /nfs/dbraw/zinc/11/20/51/563112051.db2.gz FTCMUWROYDNZCB-JOCHJYFZSA-N 0 0 430.592 6.689 1 0 IKAFRN C[NH+](C)CCN1CCn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccccc2C1 ZINC000040919231 563112121 /nfs/dbraw/zinc/11/21/21/563112121.db2.gz NCHXWGAACZWDTE-UHFFFAOYSA-N 0 0 445.607 5.431 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1ccc(OC)cc1C ZINC000040919210 563112126 /nfs/dbraw/zinc/11/21/26/563112126.db2.gz PFTUGVBKBQEBBR-QHCPKHFHSA-N 0 0 430.592 6.689 1 0 IKAFRN Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)N[C@H](c1cccc(F)c1)C1CC1 ZINC000040933548 563112212 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442.728 7.428 1 0 IKAFRN O=C(Nc1ccccc1F)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1 ZINC000040951439 563113987 /nfs/dbraw/zinc/11/39/87/563113987.db2.gz JTDAPLNYHSQSQY-UHFFFAOYSA-N 0 0 433.418 5.200 1 0 IKAFRN CCc1ccccc1[C@H]1CC(c2ccccc2)=NN1c1nc2nc3ccccc3nc2s1 ZINC000040951559 563114003 /nfs/dbraw/zinc/11/40/03/563114003.db2.gz LBVUMSUETCSESJ-HSZRJFAPSA-N 0 0 435.556 6.158 1 0 IKAFRN COc1cc(CN(C(=O)c2scnc2C)c2cccc(Cl)c2)c2cccc(F)c2n1 ZINC000040951960 563114085 /nfs/dbraw/zinc/11/40/85/563114085.db2.gz NKTNVSITVJLCCH-UHFFFAOYSA-N 0 0 441.915 5.648 1 0 IKAFRN Cn1c(-c2ccc(-c3ccccc3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1 ZINC000040953929 563114377 /nfs/dbraw/zinc/11/43/77/563114377.db2.gz DLCWGHYEPISYHV-UHFFFAOYSA-N 0 0 434.370 6.926 1 0 IKAFRN CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3N)ncn2)s1 ZINC000040954999 563114578 /nfs/dbraw/zinc/11/45/78/563114578.db2.gz BHESLGXYAUGTJK-UHFFFAOYSA-N 0 0 445.426 5.105 1 0 IKAFRN CC(C)(C)c1ccc(-c2nc3c(cccc3N3CCN(Cc4nccs4)CC3)[nH]2)cc1 ZINC000040955616 563114660 /nfs/dbraw/zinc/11/46/60/563114660.db2.gz ZBBMRWKSLKCCOL-UHFFFAOYSA-N 0 0 431.609 5.306 1 0 IKAFRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCCCCCCn1cnc3ccccc31)O2 ZINC000040973279 563115018 /nfs/dbraw/zinc/11/50/18/563115018.db2.gz NVGXSEOYGGSDBW-GDLZYMKVSA-N 0 0 448.651 7.572 1 0 IKAFRN Cc1c(C2=NC(=O)C(C)(C)N2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040974820 563115196 /nfs/dbraw/zinc/11/51/96/563115196.db2.gz HDMBJOMYKUDPRX-UHFFFAOYSA-N 0 0 447.753 5.463 1 0 IKAFRN CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccccc4Cl)no3)ccc21 ZINC000040975303 563115204 /nfs/dbraw/zinc/11/52/04/563115204.db2.gz SHTUJXZMNFQBJY-UHFFFAOYSA-N 0 0 444.922 6.089 1 0 IKAFRN O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccccc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 ZINC000040975278 563115226 /nfs/dbraw/zinc/11/52/26/563115226.db2.gz NFJNEAWIKVVIPO-IBGZPJMESA-N 0 0 449.539 5.522 1 0 IKAFRN O=C(Nc1ccc(F)c(F)c1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c32)c2ccccc12 ZINC000040975768 563115322 /nfs/dbraw/zinc/11/53/22/563115322.db2.gz DMGJFEIYBSAQDS-UHFFFAOYSA-N 0 0 447.401 5.119 1 0 IKAFRN Cc1nc(-c2ccc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)cc2)no1 ZINC000040976118 563115402 /nfs/dbraw/zinc/11/54/02/563115402.db2.gz KHFHEQXZOIBNQI-UHFFFAOYSA-N 0 0 439.519 5.268 1 0 IKAFRN Cc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4cnc(C(F)(F)F)nc4)cc3)cn12 ZINC000043011193 563116484 /nfs/dbraw/zinc/11/64/84/563116484.db2.gz FGYZDLINVANVIK-UHFFFAOYSA-N 0 0 437.425 5.248 1 0 IKAFRN CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)O[C@]2(CCCC)OC ZINC000043010730 563116493 /nfs/dbraw/zinc/11/64/93/563116493.db2.gz SIFVKFNQJLVAOD-VWLOTQADSA-N 0 0 444.524 5.791 1 0 IKAFRN Brc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccccc3)on2)cc1 ZINC000043012164 563116547 /nfs/dbraw/zinc/11/65/47/563116547.db2.gz HVQJMHDCGYNNIU-UHFFFAOYSA-N 0 0 442.316 6.624 1 0 IKAFRN CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000043013198 563116639 /nfs/dbraw/zinc/11/66/39/563116639.db2.gz WGFUAYPZJSHCOV-UHFFFAOYSA-N 0 0 427.976 5.290 1 0 IKAFRN O=Nc1c(-c2ccc(Br)cc2)nc2sc(Cc3noc4ccccc43)nn21 ZINC000043014744 563116749 /nfs/dbraw/zinc/11/67/49/563116749.db2.gz PFCKDCCGCHGIFZ-UHFFFAOYSA-N 0 0 440.282 5.350 1 0 IKAFRN COc1ccc([C@@H]2CC(=O)c3c(O)c4c(c(CC=C(C)C)c3O2)OC(C)(C)C=C4)c(O)c1 ZINC000043022023 563117272 /nfs/dbraw/zinc/11/72/72/563117272.db2.gz DODLFMXUTHHGIM-NRFANRHFSA-N 0 0 436.504 5.506 1 0 IKAFRN CCCCCc1c(C)c(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)O[C@@H]2CCCC ZINC000043063066 563117701 /nfs/dbraw/zinc/11/77/01/563117701.db2.gz PPWLKKHPVRDTIR-OAQYLSRUSA-N 0 0 428.525 6.342 1 0 IKAFRN Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(F)cc2F)c1-c1ccc(C2CC2)cc1 ZINC000043063001 563117706 /nfs/dbraw/zinc/11/77/06/563117706.db2.gz SDHNLNXASWUTHB-UHFFFAOYSA-N 0 0 436.506 5.134 1 0 IKAFRN CC1(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)CCCCC1 ZINC000043073493 563118158 /nfs/dbraw/zinc/11/81/58/563118158.db2.gz FOJDBRNWXWMNQL-UHFFFAOYSA-N 0 0 439.987 5.211 1 0 IKAFRN C[C@H](Cc1ccccc1)n1c(=O)c2c(ccnc2C(F)(F)F)nc1-c1ncccc1Cl ZINC000043072015 563118159 /nfs/dbraw/zinc/11/81/59/563118159.db2.gz BSHNWGCSKUAQMP-CYBMUJFWSA-N 0 0 444.844 5.329 1 0 IKAFRN Cc1cc(-c2ncsc2Cl)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 ZINC000043076061 563118324 /nfs/dbraw/zinc/11/83/24/563118324.db2.gz XBHFEGHYUVXTFO-UHFFFAOYSA-N 0 0 436.751 6.601 1 0 IKAFRN Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3F)ccc2OC(=O)c2ccccc2)c1 ZINC000043078589 563118449 /nfs/dbraw/zinc/11/84/49/563118449.db2.gz TZEVOVJLUAAGAJ-UHFFFAOYSA-N 0 0 443.449 6.412 1 0 IKAFRN COC(=O)[C@H](CC(C)C)NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000043119939 563118707 /nfs/dbraw/zinc/11/87/07/563118707.db2.gz PWFOQHKESRDDEN-SPRBNPHMSA-N 0 0 434.580 5.020 1 0 IKAFRN COc1ccc(Nc2[nH+]c3cc(C(=O)[O-])ccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000043120805 563118908 /nfs/dbraw/zinc/11/89/08/563118908.db2.gz SHPMBGWORDLKHI-UHFFFAOYSA-N 0 0 441.409 5.554 1 0 IKAFRN COc1ccc(-c2nc3ccc(/C=C/c4ccccc4)cn3c2NC2CCCC2)cc1O ZINC000043121574 563118910 /nfs/dbraw/zinc/11/89/10/563118910.db2.gz HGVSTFHGVJRJRD-VAWYXSNFSA-N 0 0 425.532 6.240 1 0 IKAFRN COc1cc(/C=C/c2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000043171175 563119156 /nfs/dbraw/zinc/11/91/56/563119156.db2.gz DTUBMQQXYZEXQC-YICVCXCLSA-N 0 0 429.499 5.016 1 0 IKAFRN COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCC[C@@H]3C)c(C(F)(F)F)c2)n1 ZINC000043204052 563119496 /nfs/dbraw/zinc/11/94/96/563119496.db2.gz KLKXOTGOHLLMNT-ZDUSSCGKSA-N 0 0 435.421 5.949 1 0 IKAFRN CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](F)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000043587357 563120948 /nfs/dbraw/zinc/12/09/48/563120948.db2.gz CGVPTNIUVOQACW-RYWLMXRFSA-N 0 0 448.707 6.944 1 0 IKAFRN C[C@@H]1CC[C@]23CO[C@@]4(C=C[C@H]5[C@@](C)(CC[C@H]6C(C)(C)[C@@H](O)CC[C@]56C)[C@]4(C)CC2)[C@@H]3[C@H]1C ZINC000044387090 563121959 /nfs/dbraw/zinc/12/19/59/563121959.db2.gz IHYMCZXESXXHQU-BIGADOPWSA-N 0 0 440.712 7.014 1 0 IKAFRN CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000044416988 563122123 /nfs/dbraw/zinc/12/21/23/563122123.db2.gz NZSAHCYFUVNLPX-VYNSOXFUSA-N 0 0 446.716 5.966 1 0 in-man IKAFRN CS(=O)(=O)c1cccc(Oc2cccc(-c3ccnc4c3cccc4C(F)(F)F)c2)c1 ZINC000044460342 563122250 /nfs/dbraw/zinc/12/22/50/563122250.db2.gz DZEKZLIXNYUATR-UHFFFAOYSA-N 0 0 443.446 6.116 1 0 in-vitro IKAFRN O=c1cc(NCC[C@H]2CC=CCN2Cc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 ZINC000045167491 563122354 /nfs/dbraw/zinc/12/23/54/563122354.db2.gz FUXMCEXQNHCLQI-QGZVFWFLSA-N 0 0 428.363 5.468 1 0 IKAFRN Cc1[nH]c(C)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(=O)c1Br ZINC000045168628 563122668 /nfs/dbraw/zinc/12/26/68/563122668.db2.gz VNXGLTIRWVQRLY-UHFFFAOYSA-N 0 0 439.231 5.382 1 0 IKAFRN C[C@@H](O)[C@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 ZINC000045187854 563123005 /nfs/dbraw/zinc/12/30/05/563123005.db2.gz FPACHUNFHLBRSN-IIBYNOLFSA-N 0 0 431.561 5.334 1 0 IKAFRN CCCCNc1nc2nc(NCCCC)c(Cc3ccccc3)c(C)c2c(NCCCC)n1 ZINC000045189154 563123179 /nfs/dbraw/zinc/12/31/79/563123179.db2.gz JKMRVCNDFMYWAW-UHFFFAOYSA-N 0 0 448.659 6.560 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(C(=O)N5CCCC[C@H]5[C@@H](C)O)cc4)c3)nc21 ZINC000045190464 563123431 /nfs/dbraw/zinc/12/34/31/563123431.db2.gz BNMHAFOGEFUKGR-CLOONOSVSA-N 0 0 439.559 5.581 1 0 IKAFRN O=C(Nc1ccc(O[C@@H]2CCN(Cc3ccc(F)cc3)C2)c(Cl)c1)c1cccs1 ZINC000045190551 563123461 /nfs/dbraw/zinc/12/34/61/563123461.db2.gz UPJGISNSUGKSPX-GOSISDBHSA-N 0 0 430.932 5.446 1 0 IKAFRN O=C(Nc1ccc(O[C@H]2CCN(Cc3ccc(F)cc3)C2)c(Cl)c1)c1cccs1 ZINC000045190554 563123473 /nfs/dbraw/zinc/12/34/73/563123473.db2.gz UPJGISNSUGKSPX-SFHVURJKSA-N 0 0 430.932 5.446 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(C(=O)N5CCCC[C@@H]5[C@H](C)O)cc4)c3)nc21 ZINC000045190467 563123493 /nfs/dbraw/zinc/12/34/93/563123493.db2.gz BNMHAFOGEFUKGR-UQBPGWFLSA-N 0 0 439.559 5.581 1 0 IKAFRN Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000045190906 563123627 /nfs/dbraw/zinc/12/36/27/563123627.db2.gz HARPCQWFSQIZMP-UHFFFAOYSA-N 0 0 441.918 6.215 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)c5ccc(C(N)=O)cc5)c4)c3)nc21 ZINC000045190881 563123637 /nfs/dbraw/zinc/12/36/37/563123637.db2.gz HFOPGSMKCXKMTF-UHFFFAOYSA-N 0 0 446.510 5.557 1 0 IKAFRN Cc1ccc(NC(=O)Nc2ccccc2F)cc1-c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000045190588 563123650 /nfs/dbraw/zinc/12/36/50/563123650.db2.gz DRCYZVAZIZFOPK-UHFFFAOYSA-N 0 0 440.478 6.092 1 0 IKAFRN FC(F)(F)c1cccc(CCNc2nccc(NCc3ccc(Cl)cc3Cl)n2)c1 ZINC000045194651 563124351 /nfs/dbraw/zinc/12/43/51/563124351.db2.gz LJYFLERYGMZLTL-UHFFFAOYSA-N 0 0 441.284 6.069 1 0 IKAFRN CC(C)c1cccc(OCC2CCN(c3ncc(C(=O)NC4CC4)cc3Cl)CC2)c1 ZINC000045195452 563124512 /nfs/dbraw/zinc/12/45/12/563124512.db2.gz ZZEOIRSJYAXPNE-UHFFFAOYSA-N 0 0 427.976 5.046 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)[C@H](C)C(=O)NC(C)C)cc4)c3)nc21 ZINC000045196429 563124563 /nfs/dbraw/zinc/12/45/63/563124563.db2.gz WLWVYNMFQQMRQH-GOSISDBHSA-N 0 0 440.547 5.305 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)[C@@H](C)C(=O)NC(C)C)cc4)c3)nc21 ZINC000045196426 563124604 /nfs/dbraw/zinc/12/46/04/563124604.db2.gz WLWVYNMFQQMRQH-SFHVURJKSA-N 0 0 440.547 5.305 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)c5cnn6cccnc56)c4)c3)nc21 ZINC000045201208 563124688 /nfs/dbraw/zinc/12/46/88/563124688.db2.gz PUONFLKERSHWJT-UHFFFAOYSA-N 0 0 444.498 5.500 1 0 IKAFRN Cc1cc(NCCc2cccc(F)c2)nc(NC(=N)Nc2cccc(C(F)(F)F)c2)n1 ZINC000045201798 563124839 /nfs/dbraw/zinc/12/48/39/563124839.db2.gz BMRFPRVTLYVWJL-UHFFFAOYSA-N 0 0 432.425 5.056 1 0 IKAFRN CC(=O)Nc1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045202872 563125171 /nfs/dbraw/zinc/12/51/71/563125171.db2.gz WIKGXIIZIZRLDS-UHFFFAOYSA-N 0 0 446.510 6.108 1 0 IKAFRN Cn1cncc1-c1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1 ZINC000045227093 563125430 /nfs/dbraw/zinc/12/54/30/563125430.db2.gz WEVYGRGHPNEVKY-UHFFFAOYSA-N 0 0 431.503 5.172 1 0 IKAFRN Cc1cnc(C[S@@](=O)c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1OCc1ccccc1 ZINC000045226671 563125436 /nfs/dbraw/zinc/12/54/36/563125436.db2.gz SBIIGFBBFMTJHL-HKBQPEDESA-N 0 0 445.466 5.172 1 0 IKAFRN CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(O)c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000045227437 563125539 /nfs/dbraw/zinc/12/55/39/563125539.db2.gz WTVYYYDSYOSLJO-QGZVFWFLSA-N 0 0 449.378 5.135 1 0 IKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000045230916 563126210 /nfs/dbraw/zinc/12/62/10/563126210.db2.gz NRUOZLRSLHSRQK-UHFFFAOYSA-N 0 0 448.876 5.698 1 0 IKAFRN COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)c1C ZINC000045245094 563126399 /nfs/dbraw/zinc/12/63/99/563126399.db2.gz QYBVEGZPNZFILA-UHFFFAOYSA-N 0 0 435.698 5.867 1 0 IKAFRN CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)C1c1nc2ccc(F)cc2n1C ZINC000045245127 563126403 /nfs/dbraw/zinc/12/64/03/563126403.db2.gz DOWMXECLUTUSBD-FQEVSTJZSA-N 0 0 428.298 5.662 1 0 IKAFRN CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)C1c1nc2c(cccc2F)n1C ZINC000045245894 563126648 /nfs/dbraw/zinc/12/66/48/563126648.db2.gz WPZCTNVQNQPPRW-FQEVSTJZSA-N 0 0 428.298 5.662 1 0 IKAFRN Cc1c(-c2c[nH]c(C(C)C)n2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000045253030 563126766 /nfs/dbraw/zinc/12/67/66/563126766.db2.gz KRAINGXZINNBKC-UHFFFAOYSA-N 0 0 445.781 7.321 1 0 IKAFRN CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)o1)C1CCCCC1 ZINC000045254407 563127012 /nfs/dbraw/zinc/12/70/12/563127012.db2.gz FKSZTVMVORTQHM-DEOSSOPVSA-N 0 0 432.520 5.164 1 0 IKAFRN CCc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000045254756 563127125 /nfs/dbraw/zinc/12/71/25/563127125.db2.gz NGLYERQRYRDLCH-UHFFFAOYSA-N 0 0 443.526 5.262 1 0 IKAFRN Cc1c(-c2cn(-c3ccccc3)cn2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000045254952 563127130 /nfs/dbraw/zinc/12/71/30/563127130.db2.gz SKUJRFWLYROKKQ-UHFFFAOYSA-N 0 0 445.353 7.007 1 0 in-vitro IKAFRN Nc1nc2ccnc(-c3cc(Br)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2[nH]1 ZINC000045254746 563127134 /nfs/dbraw/zinc/12/71/34/563127134.db2.gz KKWUIAKNMKXRTR-UHFFFAOYSA-N 0 0 430.309 5.632 1 0 IKAFRN CC(C)c1ccc(C(=O)NC[C@@]2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)cc1 ZINC000045255510 563127218 /nfs/dbraw/zinc/12/72/18/563127218.db2.gz UDAIVTJWMNDIHV-LJQANCHMSA-N 0 0 426.822 5.213 1 0 IKAFRN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NO[C@@H](c2ccccc2)C1 ZINC000045255078 563127242 /nfs/dbraw/zinc/12/72/42/563127242.db2.gz MYZOHOYTMJPNBY-SFHLNBCPSA-N 0 0 432.442 5.135 1 0 IKAFRN Cc1c(-c2nc(C(C)C)c[nH]2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000045255884 563127336 /nfs/dbraw/zinc/12/73/36/563127336.db2.gz CXHJLAXQIAEUGB-UHFFFAOYSA-N 0 0 445.781 7.321 1 0 IKAFRN CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C ZINC000045258947 563127582 /nfs/dbraw/zinc/12/75/82/563127582.db2.gz PUFQEVKPIIDGEA-UTEZGYMGSA-N 0 0 438.624 5.335 1 0 IKAFRN CC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(NC(=O)Cc2ccc(F)cc2)c1 ZINC000045260003 563127674 /nfs/dbraw/zinc/12/76/74/563127674.db2.gz MIZDPIXJCBYSCW-UHFFFAOYSA-N 0 0 433.458 5.986 1 0 IKAFRN C[C@@](O)(CCc1ccccc1)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C ZINC000045260816 563127746 /nfs/dbraw/zinc/12/77/46/563127746.db2.gz ZRYRCGNOGWVLFU-RZDMPUFOSA-N 0 0 430.567 6.276 1 0 IKAFRN COc1ccc(Nc2ncnc3ccc(NC(=S)Nc4cccc(F)c4)cc32)cc1OC ZINC000045261305 563127807 /nfs/dbraw/zinc/12/78/07/563127807.db2.gz HSQGHNWKLJMBBO-UHFFFAOYSA-N 0 0 449.511 5.339 1 0 IKAFRN CCCOc1c(C(=O)NC2=CCCCC2)sc(C(=O)NC2=CCCCC2)c1OCCC ZINC000045284152 563127978 /nfs/dbraw/zinc/12/79/78/563127978.db2.gz IKMZGAQXAVABPX-UHFFFAOYSA-N 0 0 446.613 5.701 1 0 IKAFRN COc1ccccc1NC(=S)Nc1ncnc2c1sc(=S)n2-c1ccccc1 ZINC000045284686 563128089 /nfs/dbraw/zinc/12/80/89/563128089.db2.gz NPKJZXVTOCJSRD-UHFFFAOYSA-N 0 0 425.564 5.029 1 0 IKAFRN C[C@H](Oc1ccc2ccccc2c1)C(=O)N1N=C(c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000045286385 563128378 /nfs/dbraw/zinc/12/83/78/563128378.db2.gz PZVVVDYEAUYOJD-MMTVBGGISA-N 0 0 436.511 5.089 1 0 IKAFRN CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1nccn1Cc1ccccc1 ZINC000045289360 563128610 /nfs/dbraw/zinc/12/86/10/563128610.db2.gz MZXOJLUENNUYRY-IBGZPJMESA-N 0 0 438.018 5.102 1 0 IKAFRN CC(C)(C)Oc1ccc(CNC(=O)[C@@H]2CCC[C@H]2C2=NO[C@](C)(c3ccccc3)C2)cc1 ZINC000045299507 563128974 /nfs/dbraw/zinc/12/89/74/563128974.db2.gz IQCGRVOPQLDGHO-NOTUOJBMSA-N 0 0 434.580 5.588 1 0 IKAFRN CC(C)c1ccc(Cn2cc(-c3ccncc3)c3cc(OCc4ccccc4)ccc32)cc1 ZINC000045301191 563129176 /nfs/dbraw/zinc/12/91/76/563129176.db2.gz JKFPROYVPPDHDG-UHFFFAOYSA-N 0 0 432.567 7.454 1 0 IKAFRN O[C@@]1(c2ccccc2)c2cc(Cl)ccc2O[C@H]1c1nc2c(o1)c(Cl)ccc2Cl ZINC000045302016 563129316 /nfs/dbraw/zinc/12/93/16/563129316.db2.gz VOBKRGOZFWUAFL-FPOVZHCZSA-N 0 0 432.690 6.158 1 0 IKAFRN O=C(Nc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000045302489 563129493 /nfs/dbraw/zinc/12/94/93/563129493.db2.gz WHTRJAOBCQTGRW-RPLLCQBOSA-N 0 0 444.538 6.575 1 0 IKAFRN CCOc1cc(C(=O)Nc2ccc(Cl)c(-c3ncc[nH]3)c2)cc(OCC)c1OCC ZINC000045316658 563129895 /nfs/dbraw/zinc/12/98/95/563129895.db2.gz GWBYZXAIPHACIL-UHFFFAOYSA-N 0 0 429.904 5.179 1 0 IKAFRN COc1cc(Nc2cc(Oc3ccc(C)nc3-c3ccccn3)ccn2)cc(OC)c1OC ZINC000045317558 563129941 /nfs/dbraw/zinc/12/99/41/563129941.db2.gz JUQWKHUSDMGHQR-UHFFFAOYSA-N 0 0 444.491 5.409 1 0 IKAFRN CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)C1c1nc2cccc(F)c2n1C ZINC000045317662 563130006 /nfs/dbraw/zinc/13/00/06/563130006.db2.gz AFFAZKGLCFTDEU-IBGZPJMESA-N 0 0 428.298 5.662 1 0 IKAFRN FC(F)(F)Oc1ccc([C@H]2CC([C@@H]3CCC[C@H]3c3cc(-c4ccccc4)on3)=NO2)cc1 ZINC000045318113 563130021 /nfs/dbraw/zinc/13/00/21/563130021.db2.gz MVMYCZRXDDPASS-DNVFCKCGSA-N 0 0 442.437 6.642 1 0 IKAFRN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1 ZINC000045318103 563130047 /nfs/dbraw/zinc/13/00/47/563130047.db2.gz XHENCXGOTQHMDN-RTBURBONSA-N 0 0 430.426 5.440 1 0 IKAFRN COc1ccc(NC(=S)Nc2ncnc3c2sc(=S)n3-c2ccccc2)cc1 ZINC000045320532 563130218 /nfs/dbraw/zinc/13/02/18/563130218.db2.gz JQYWCOUDFCTNTR-UHFFFAOYSA-N 0 0 425.564 5.029 1 0 IKAFRN Cc1cnc(NCCc2ccc(F)cc2)nc1N[C@@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000045321078 563130220 /nfs/dbraw/zinc/13/02/20/563130220.db2.gz BRYLSJNEEQNMGO-QFIPXVFZSA-N 0 0 435.547 5.044 1 0 IKAFRN COc1ccc(NC(=O)Nc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)cc1 ZINC000045321937 563130279 /nfs/dbraw/zinc/13/02/79/563130279.db2.gz HWAHZOHKMRWRIV-UHFFFAOYSA-N 0 0 434.499 6.550 1 0 IKAFRN C[C@H](O)[C@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1 ZINC000045322397 563130374 /nfs/dbraw/zinc/13/03/74/563130374.db2.gz ALMQNUTZOAEMHK-SSOJOUAXSA-N 0 0 443.522 5.412 1 0 IKAFRN C[C@@H](O)[C@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1 ZINC000045322400 563130423 /nfs/dbraw/zinc/13/04/23/563130423.db2.gz ALMQNUTZOAEMHK-CRICUBBOSA-N 0 0 443.522 5.412 1 0 IKAFRN C[C@H](O)[C@@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1 ZINC000045322391 563130491 /nfs/dbraw/zinc/13/04/91/563130491.db2.gz ALMQNUTZOAEMHK-GKVSMKOHSA-N 0 0 443.522 5.412 1 0 IKAFRN O=C(Nc1ccc(O[C@@H]2CCN(Cc3ccco3)C2)c(Cl)c1)c1ccc2ncccc2c1 ZINC000045323001 563130520 /nfs/dbraw/zinc/13/05/20/563130520.db2.gz HUQZWMBICXNIEI-OAQYLSRUSA-N 0 0 447.922 5.387 1 0 IKAFRN C[C@@H](O)[C@H]1CCCCN1C(=O)c1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000045323593 563130735 /nfs/dbraw/zinc/13/07/35/563130735.db2.gz AOGCAGPRZDSHRL-IQGLISFBSA-N 0 0 425.532 5.272 1 0 IKAFRN O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000045323618 563130801 /nfs/dbraw/zinc/13/08/01/563130801.db2.gz BTEOLPBPGNWMEQ-INIZCTEOSA-N 0 0 434.849 5.307 1 0 IKAFRN O=C(Nc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1)c1ccoc1 ZINC000045324438 563130899 /nfs/dbraw/zinc/13/08/99/563130899.db2.gz MGMNIWDSIVUQQI-UHFFFAOYSA-N 0 0 447.416 6.761 1 0 IKAFRN Cc1cccc2[nH]c(-c3ccc(-c4cccc(C(=O)N5CCCC[C@@H]5[C@H](C)O)c4)s3)nc21 ZINC000045334559 563131065 /nfs/dbraw/zinc/13/10/65/563131065.db2.gz FEONNFNUMJIIFV-LAUBAEHRSA-N 0 0 445.588 5.642 1 0 IKAFRN C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000045334904 563131146 /nfs/dbraw/zinc/13/11/46/563131146.db2.gz LFLWFUKVHCOBTD-GKVSMKOHSA-N 0 0 443.522 5.412 1 0 IKAFRN CS(=O)(=O)c1cccc(Oc2cccc(-n3cnc4c3cccc4C(F)(F)F)c2)c1 ZINC000045339738 563131927 /nfs/dbraw/zinc/13/19/27/563131927.db2.gz ZVQPSFBFGZWVGY-UHFFFAOYSA-N 0 0 432.423 5.240 1 0 IKAFRN O=C(NCc1ccc(Cl)cc1Cl)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000045349227 563132088 /nfs/dbraw/zinc/13/20/88/563132088.db2.gz MBPSUORTTVDJJX-UHFFFAOYSA-N 0 0 447.284 5.981 1 0 IKAFRN Cc1c(Cl)c(=O)oc2cc(OC(=O)CCCOc3ccc(Cl)cc3Cl)ccc12 ZINC000045352124 563132318 /nfs/dbraw/zinc/13/23/18/563132318.db2.gz JWRZYLXQSSFJKX-UHFFFAOYSA-N 0 0 441.694 5.826 1 0 IKAFRN O=C(COc1ccccc1C(F)(F)F)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000045364982 563132978 /nfs/dbraw/zinc/13/29/78/563132978.db2.gz NEGMGEHDSZVJCE-UHFFFAOYSA-N 0 0 446.812 6.185 1 0 IKAFRN CCCCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000045368589 563133230 /nfs/dbraw/zinc/13/32/30/563133230.db2.gz ZKUMGLNLTFCLPJ-UHFFFAOYSA-N 0 0 429.731 6.178 1 0 IKAFRN O=C(c1oc2ccc3c(-c4ccccc4)cc(=O)oc3c2c1-c1ccccc1)c1ccccc1 ZINC000045371054 563133333 /nfs/dbraw/zinc/13/33/33/563133333.db2.gz GGSAUVIUOBDVTM-UHFFFAOYSA-N 0 0 442.470 7.104 1 0 IKAFRN CCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1 ZINC000045370718 563133361 /nfs/dbraw/zinc/13/33/61/563133361.db2.gz AUMLOLGRFWACMM-UHFFFAOYSA-N 0 0 438.479 6.534 1 0 IKAFRN O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000045390950 563134079 /nfs/dbraw/zinc/13/40/79/563134079.db2.gz JLIGZUVIVORBQB-UHFFFAOYSA-N 0 0 446.812 6.185 1 0 IKAFRN O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000045497108 563134541 /nfs/dbraw/zinc/13/45/41/563134541.db2.gz XGVHEGGVYVHPBP-UHFFFAOYSA-N 0 0 434.845 5.581 1 0 IKAFRN O=C(C1CCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000045498210 563134611 /nfs/dbraw/zinc/13/46/11/563134611.db2.gz ZFXWVJXGIBMEAG-UHFFFAOYSA-N 0 0 431.407 5.807 1 0 IKAFRN CCc1ccc([C@H]2ON=C(c3ccc(C4=NO[C@@H](c5ccc(CC)cc5)O4)cc3)O2)cc1 ZINC000048999183 563135088 /nfs/dbraw/zinc/13/50/88/563135088.db2.gz YFAQTTPVQAVUSI-WMPKNSHKSA-N 0 0 428.488 5.626 1 0 IKAFRN CO[C@@H]1O[C@H](OC)C2=CC[C@H]3[C@]4(C)CC[C@H]5C(C)(C)CCC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]21 ZINC000049013863 563135297 /nfs/dbraw/zinc/13/52/97/563135297.db2.gz DANVYXZMOWTDMU-YFKFFVSUSA-N 0 0 432.645 5.544 1 0 IKAFRN C/C=C(\CC[C@](C)(O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(C)C ZINC000049021451 563135668 /nfs/dbraw/zinc/13/56/68/563135668.db2.gz CUSJYXLJHWOVEL-NMDKGTOKSA-N 0 0 426.641 5.969 1 0 IKAFRN Clc1ccc([C@H]2ON=C(c3ccc(C4=NO[C@@H](c5ccc(Cl)cc5)O4)cc3)O2)cc1 ZINC000049031383 563135738 /nfs/dbraw/zinc/13/57/38/563135738.db2.gz IVNQNUYXDNHJCB-SZPZYZBQSA-N 0 0 441.270 5.808 1 0 IKAFRN COc1ccc2c(c1C/C=C(\C)CCC=C(C)C)OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4 ZINC000049032219 563135852 /nfs/dbraw/zinc/13/58/52/563135852.db2.gz SGXPCZPZSRMJEW-TVOGELLKSA-N 0 0 434.532 6.269 1 0 IKAFRN CC1(C)C[C@@H](O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049048282 563136655 /nfs/dbraw/zinc/13/66/55/563136655.db2.gz XNNYTAVOTLXAAJ-LJQANCHMSA-N 0 0 434.750 6.970 1 0 IKAFRN CC1(C)C[C@@](C)(O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049047226 563136662 /nfs/dbraw/zinc/13/66/62/563136662.db2.gz DNIMVDXXSHCQLS-HSZRJFAPSA-N 0 0 448.777 7.144 1 0 IKAFRN CC(C)Cc1ccc([C@@H](C)C(=O)OCc2ccc(OC(=O)OCCC(C)(C)C)cc2)cc1 ZINC000049050075 563136758 /nfs/dbraw/zinc/13/67/58/563136758.db2.gz LXBFPRSQOWRVRJ-HXUWFJFHSA-N 0 0 440.580 6.684 1 0 IKAFRN CC(C)(C)[C@H]1CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1 ZINC000049053919 563137149 /nfs/dbraw/zinc/13/71/49/563137149.db2.gz QVZCMVDSTYUQDH-OAQYLSRUSA-N 0 0 426.343 7.102 1 0 IKAFRN CC(C)=CCC/C(C)=C/COc1ccc([C@@H]2C[C@H]2c2nnc3c4ccccc4cnn32)cc1 ZINC000049055689 563137213 /nfs/dbraw/zinc/13/72/13/563137213.db2.gz MADGMSSACSBJDO-ZWTRZYDUSA-N 0 0 438.575 6.620 1 0 IKAFRN CC(C)C1=C2CC[C@]3(C)[C@H]([C@H](O)C[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)CCC[C@]43C)[C@@]2(C)CC1 ZINC000049072187 563137908 /nfs/dbraw/zinc/13/79/08/563137908.db2.gz OZBKZCYBEQKRAI-WKOWXSQSSA-N 0 0 426.729 8.169 1 0 IKAFRN CO[C@]1(C)C[C@@H]2OCC3=CC[C@](C)(C/C=C/C(C)C)[C@@H](/C=C/OC(=O)C=C(C)C)[C@]32O1 ZINC000049072048 563137924 /nfs/dbraw/zinc/13/79/24/563137924.db2.gz DZJLUNSANZJJSP-QNEVPVOGSA-N 0 0 430.585 5.485 1 0 IKAFRN Cc1cc(OC[P@@]2(=O)OCC[C@@H](c3cccnc3)O2)c2c(c1C)Cc1scnc1-2 ZINC000049088160 563137977 /nfs/dbraw/zinc/13/79/77/563137977.db2.gz MRZTZDFHFHGWFU-YMGMXPECSA-N 0 0 428.450 5.434 1 0 IKAFRN CCS(=O)(=O)c1cccc(-c2cccc(-c3ccnc4c3cccc4C(F)(F)F)c2)c1 ZINC000049088222 563138090 /nfs/dbraw/zinc/13/80/90/563138090.db2.gz VJEBBKVWKHODQJ-UHFFFAOYSA-N 0 0 441.474 6.381 1 0 IKAFRN Cc1cc(-c2ccccc2)ccc1C(=O)N1CCN(C(=O)c2ccc3cc[nH]c3c2)[C@@H](C)C1 ZINC000049109396 563138155 /nfs/dbraw/zinc/13/81/55/563138155.db2.gz OAGCCFSDZUILFX-FQEVSTJZSA-N 0 0 437.543 5.130 1 0 IKAFRN Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3C(C)C)c2Cl)cc1 ZINC000049112059 563138279 /nfs/dbraw/zinc/13/82/79/563138279.db2.gz SAYLMCYSUXRGDS-UHFFFAOYSA-N 0 0 437.931 5.176 1 0 IKAFRN Clc1cccc(Cl)c1Cc1nnc(Nc2ccc(COCc3ccoc3)cc2)o1 ZINC000049112841 563138345 /nfs/dbraw/zinc/13/83/45/563138345.db2.gz NOQMIWOFQMNCFA-UHFFFAOYSA-N 0 0 430.291 6.021 1 0 IKAFRN COc1ccc(-c2cc(-c3ccccc3)n(C(=O)c3sc4ccccc4c3Cl)n2)cc1 ZINC000049113238 563138599 /nfs/dbraw/zinc/13/85/99/563138599.db2.gz PMEJQPFVWDKNBX-UHFFFAOYSA-N 0 0 444.943 6.782 1 0 IKAFRN Cc1ccc2oc(=O)cc(COc3ccc(-c4cc(-c5ccccc5)nc(N)n4)cc3)c2c1 ZINC000049590073 563138949 /nfs/dbraw/zinc/13/89/49/563138949.db2.gz ARNRWTQOOOPREJ-UHFFFAOYSA-N 0 0 435.483 5.387 1 0 IKAFRN COC(=O)Cc1csc(NC(=O)[C@@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1 ZINC000049784360 563139584 /nfs/dbraw/zinc/13/95/84/563139584.db2.gz GNHJXSIKSWYCMU-HNNXBMFYSA-N 0 0 441.380 5.468 1 0 IKAFRN CC(C)c1cc2c3c(c1OC(=O)Cc1ccccc1)OC(=O)[C@@]31CCCC(C)(C)[C@@H]1CC2 ZINC000049784266 563139585 /nfs/dbraw/zinc/13/95/85/563139585.db2.gz WPBGUWULBJTYOR-RBTNQOKQSA-N 0 0 432.560 5.887 1 0 IKAFRN CS(=O)(=O)c1cc(-c2cccc(-c3ccnc4c3cccc4C(F)(F)F)c2)ccc1F ZINC000049784530 563139692 /nfs/dbraw/zinc/13/96/92/563139692.db2.gz QIFYDQQBXMOQLW-UHFFFAOYSA-N 0 0 445.437 6.130 1 0 IKAFRN CCN(C(=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000049785868 563139756 /nfs/dbraw/zinc/13/97/56/563139756.db2.gz NXSYYWOLJUDIIF-ZKOKMOFOSA-N 0 0 436.640 5.381 1 0 IKAFRN Cc1ccc2oc(=O)cc(COc3ccc(-c4cc(-c5ccccc5)nc(=O)[nH]4)cc3)c2c1 ZINC000049803848 563140175 /nfs/dbraw/zinc/14/01/75/563140175.db2.gz HQGBBVULMNWYSJ-UHFFFAOYSA-N 0 0 436.467 5.098 1 0 IKAFRN O=C(c1ccccc1)c1cc(Cl)ccc1OCc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000049807901 563140227 /nfs/dbraw/zinc/14/02/27/563140227.db2.gz DBPONAXFYBKUBY-UHFFFAOYSA-N 0 0 443.261 5.993 1 0 IKAFRN C[C@]12CC[C@H](OC(=O)c3ccc(Cl)cc3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)NC(=O)CC[C@@H]12 ZINC000049807864 563140236 /nfs/dbraw/zinc/14/02/36/563140236.db2.gz CSVYJNACMLLEGR-RACKXPAOSA-N 0 0 441.999 5.697 1 0 IKAFRN COc1cc(-c2noc(COc3ccc(Cl)cc3C(=O)c3ccccc3)n2)ccc1F ZINC000049808064 563140242 /nfs/dbraw/zinc/14/02/42/563140242.db2.gz GTUGKUHZNHPISO-UHFFFAOYSA-N 0 0 438.842 5.348 1 0 IKAFRN COc1cc(Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc(OC)c1OC ZINC000049808531 563140329 /nfs/dbraw/zinc/14/03/29/563140329.db2.gz ZYQQFTUVZFRNSG-UHFFFAOYSA-N 0 0 438.520 5.369 1 0 IKAFRN O=C(Nc1ccc(N2CCCCC2)cc1)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 ZINC000052569867 563140813 /nfs/dbraw/zinc/14/08/13/563140813.db2.gz YJPKAIVYJOQOBD-HSZRJFAPSA-N 0 0 435.959 5.233 1 0 IKAFRN Cc1ccc(N[C@H](C(=O)CCc2cccnc2)c2ccccc2Br)c(Cl)c1 ZINC000052594947 563140832 /nfs/dbraw/zinc/14/08/32/563140832.db2.gz UJFSTCJWOHQIAZ-QFIPXVFZSA-N 0 0 443.772 6.161 1 0 IKAFRN Cc1ccccc1[C@@H](Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CCc1ccncc1 ZINC000052594974 563140833 /nfs/dbraw/zinc/14/08/33/563140833.db2.gz FUWUMJVNJXTJIK-JOCHJYFZSA-N 0 0 432.873 6.417 1 0 IKAFRN CCCCCc1ccc(NC(=O)Nc2cccc3cc(-c4ccccc4C(C)C)oc32)cc1 ZINC000053226591 563141244 /nfs/dbraw/zinc/14/12/44/563141244.db2.gz ASCJIAKBYVUVNZ-UHFFFAOYSA-N 0 0 440.587 8.600 1 0 in-vitro IKAFRN Cc1[nH]c(/C=C2\C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc32)c(C)c1-c1ccccc1 ZINC000053230133 563141374 /nfs/dbraw/zinc/14/13/74/563141374.db2.gz BLSXAFXUOYRASH-KQWNVCNZSA-N 0 0 448.526 6.435 1 0 IKAFRN NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccccc1Br ZINC000053243652 563141507 /nfs/dbraw/zinc/14/15/07/563141507.db2.gz KKXQNAGTKHZSRD-OAHLLOKOSA-N 0 0 429.170 5.151 1 0 IKAFRN NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccc(Br)cc1 ZINC000053296784 563141906 /nfs/dbraw/zinc/14/19/06/563141906.db2.gz SQWROUHFTLYQQG-HNNXBMFYSA-N 0 0 429.170 5.151 1 0 IKAFRN C[C@H](C(=O)NC1CCCC1)c1cccc([C@H](OC(=O)NC2CCCC2)c2ccccc2)c1 ZINC000053312280 563141997 /nfs/dbraw/zinc/14/19/97/563141997.db2.gz XQLNSUYTMDPVAV-UQBPGWFLSA-N 0 0 434.580 5.607 1 0 IKAFRN C[NH+]1CCN(c2ccc(Nc3ccnc4ccc(-c5ccc(Cl)cc5)cc43)cc2)CC1 ZINC000058520190 563143923 /nfs/dbraw/zinc/14/39/23/563143923.db2.gz CQERPSZQVAXWHF-UHFFFAOYSA-N 0 0 428.967 6.051 1 0 IKAFRN FC(F)(F)c1scnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cn3)ccnc2n1 ZINC000058541210 563144200 /nfs/dbraw/zinc/14/42/00/563144200.db2.gz MPRGCUVQJWCKJG-UHFFFAOYSA-N 0 0 441.360 5.930 1 0 IKAFRN CC[C@]1(c2ccc(F)cc2)c2c(F)c(F)ccc2N(CCOC)C(=O)N1CC(F)(F)F ZINC000058575521 563144848 /nfs/dbraw/zinc/14/48/48/563144848.db2.gz PNPJMVIUKPATDC-FQEVSTJZSA-N 0 0 446.391 5.208 1 0 IKAFRN Cc1c(C)n(Cc2ccccc2)c2c1cc(C(=O)NC1CC1)nc2OCc1ccc(F)cc1 ZINC000058575821 563144863 /nfs/dbraw/zinc/14/48/63/563144863.db2.gz DBRLFUKWRBPMLK-UHFFFAOYSA-N 0 0 443.522 5.312 1 0 IKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nccn1Cc1ccc(Cl)cc1 ZINC000058576551 563144936 /nfs/dbraw/zinc/14/49/36/563144936.db2.gz LIYROGPUOXOGKP-IBGZPJMESA-N 0 0 448.876 5.973 1 0 IKAFRN COc1ccc2[nH]cc(C3(c4c[nH]c5ccc(OC)cc54)C(=O)Nc4ccc(F)cc43)c2c1 ZINC000058583767 563145236 /nfs/dbraw/zinc/14/52/36/563145236.db2.gz CESOMIMDWKQMDQ-UHFFFAOYSA-N 0 0 441.462 5.092 1 0 IKAFRN COc1cc(F)ccc1-c1cccc(Cn2ccc3ccc(NC(=O)C(C)(C)C)cc32)c1 ZINC000058592130 563145590 /nfs/dbraw/zinc/14/55/90/563145590.db2.gz BYPRYRAYQLEVHL-UHFFFAOYSA-N 0 0 430.523 6.489 1 0 IKAFRN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2c2nc(Cl)cc(Cl)n2)cc1 ZINC000058603351 563145772 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/nfs/dbraw/zinc/14/80/68/563148068.db2.gz MRILCCCYOGSKSY-UHFFFAOYSA-N 0 0 425.941 5.115 3 0 IKAFRN O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H]1Cc2c(nccc2-c2cccc(F)c2)O1 ZINC000061904240 563148092 /nfs/dbraw/zinc/14/80/92/563148092.db2.gz HUVINTSDMKPDPU-DEOSSOPVSA-N 0 0 426.447 5.622 3 0 IKAFRN CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(F)c(F)c3)c3ccoc32)c1 ZINC000061907646 563148814 /nfs/dbraw/zinc/14/88/14/563148814.db2.gz XXIXRXWXXLIHAD-UHFFFAOYSA-N 0 0 442.443 5.002 3 0 IKAFRN CCN(CC)C(=O)c1cccc(-c2csc([C@@](O)(c3ccccc3)C(F)(F)F)n2)c1 ZINC000061907951 563148910 /nfs/dbraw/zinc/14/89/10/563148910.db2.gz ABTIYWRNCPGSCV-NRFANRHFSA-N 0 0 434.483 5.090 3 0 IKAFRN Cc1ccsc1-c1cc2nc(NCCOc3ccccc3Cl)n(C)c(=O)c2s1 ZINC000061908298 563148996 /nfs/dbraw/zinc/14/89/96/563148996.db2.gz NBUCXXNWEFGOAZ-UHFFFAOYSA-N 0 0 431.970 5.176 3 0 IKAFRN O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@H]2CCCCN2C(=O)c2cccs2)on1 ZINC000061926286 563149885 /nfs/dbraw/zinc/14/98/85/563149885.db2.gz WOBHNCHEGQWWDM-MRXNPFEDSA-N 0 0 433.892 5.148 3 0 IKAFRN Cc1nc2c(OCc3ccc(Cl)cc3)cccn2c1N(C)C(=O)CCC1CCCC1 ZINC000061926182 563149892 /nfs/dbraw/zinc/14/98/92/563149892.db2.gz RVHNNCQDGCOATE-UHFFFAOYSA-N 0 0 425.960 5.808 3 0 IKAFRN C[C@@]1(C(=O)Nc2cccc3ncccc32)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000061928196 563150283 /nfs/dbraw/zinc/15/02/83/563150283.db2.gz VAXIQLJESNFJCJ-NDEPHWFRSA-N 0 0 435.527 5.074 3 0 IKAFRN C[C@]1(C(=O)Nc2cccc3ncccc32)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000061928194 563150285 /nfs/dbraw/zinc/15/02/85/563150285.db2.gz VAXIQLJESNFJCJ-MUUNZHRXSA-N 0 0 435.527 5.074 3 0 IKAFRN COc1ccccc1-c1ccc2c(c1)[C@@](C)(Cc1cc(Cl)ccc1C(F)(F)F)C(=O)N2 ZINC000061928658 563150356 /nfs/dbraw/zinc/15/03/56/563150356.db2.gz FOPWNOSEXHKSCN-HSZRJFAPSA-N 0 0 445.868 6.487 3 0 IKAFRN O=C(CCc1ccccc1)N1CCCC[C@H]1c1cc(C(=O)Nc2ccccc2Cl)no1 ZINC000061930347 563150585 /nfs/dbraw/zinc/15/05/85/563150585.db2.gz KFNQWTJTWOCZLP-NRFANRHFSA-N 0 0 437.927 5.267 3 0 IKAFRN C[C@H]1[C@@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1Cc1ccc(F)cc1F ZINC000061931128 563150715 /nfs/dbraw/zinc/15/07/15/563150715.db2.gz JLEYFSYYTSLJID-FPTDNZKUSA-N 0 0 449.906 5.331 3 0 IKAFRN COc1ccc(-c2sc3ccccc3c2-c2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000061947939 563151538 /nfs/dbraw/zinc/15/15/38/563151538.db2.gz DEXGYQDWSASSFT-UHFFFAOYSA-N 0 0 445.584 5.955 3 0 IKAFRN Cc1ccc2c(c1)C(=O)N1[C@H]3c4cc(C)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2 ZINC000061959435 563151985 /nfs/dbraw/zinc/15/19/85/563151985.db2.gz WYGQBRHZVKMZDA-PUWQJRQGSA-N 0 0 438.527 5.004 3 0 IKAFRN Cc1ccn2c(c1)nc(-c1cccc(SC3CCCCC3)c1)c2NCc1ccccc1 ZINC000061959489 563152007 /nfs/dbraw/zinc/15/20/07/563152007.db2.gz BAAPJGFWODTLSH-UHFFFAOYSA-N 0 0 427.617 7.347 3 0 IKAFRN CC[C@@H](C)NC(=O)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)[C@H]2c1ccc(Cl)cc1 ZINC000062212997 563152080 /nfs/dbraw/zinc/15/20/80/563152080.db2.gz WXKNIMWWXLNAHN-IERDGZPVSA-N 0 0 443.950 5.157 1 0 IKAFRN Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c21 ZINC000063298235 563152263 /nfs/dbraw/zinc/15/22/63/563152263.db2.gz RWEHAHIEUDLKGT-UHFFFAOYSA-N 0 0 439.338 5.952 1 0 IKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3csc4c3c(N)ncc4-c3cn[nH]c3)cc2)c1 ZINC000063298123 563152303 /nfs/dbraw/zinc/15/23/03/563152303.db2.gz UGEJLCNSVIVALC-UHFFFAOYSA-N 0 0 440.532 5.888 1 0 IKAFRN Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c(Cl)c1 ZINC000063539426 563152335 /nfs/dbraw/zinc/15/23/35/563152335.db2.gz NIKNJFKATRPZSL-UHFFFAOYSA-N 0 0 440.784 5.201 1 0 IKAFRN Brc1ccc2nc(-c3ccccc3)nc(N3CCN(c4ccccc4)CC3)c2c1 ZINC000064235567 563152463 /nfs/dbraw/zinc/15/24/63/563152463.db2.gz WBJGPKGYTOHUOZ-UHFFFAOYSA-N 0 0 445.364 5.386 1 0 IKAFRN COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c4c(cccc4Cl)c3[C@@H]12 ZINC000064417436 563152898 /nfs/dbraw/zinc/15/28/98/563152898.db2.gz QBLRNZJXTOWJAJ-ZRJLEYOISA-N 0 0 435.995 7.330 1 0 IKAFRN COc1c(O)c(CC=C(C)C)cc2c1Oc1cc(O)c(CC=C(C)C)c(O)c1C(=O)O2 ZINC000064416900 563152899 /nfs/dbraw/zinc/15/28/99/563152899.db2.gz CZKGIKZOHGKQSQ-UHFFFAOYSA-N 0 0 426.465 5.154 1 0 IKAFRN Cc1nc2c(=O)n(Cc3ccccc3)nc(-c3ccccc3)c2c2cc(-c3ccccc3)nn21 ZINC000064436270 563152949 /nfs/dbraw/zinc/15/29/49/563152949.db2.gz MZFDFSJUAOUGBY-UHFFFAOYSA-N 0 0 443.510 5.130 1 0 IKAFRN CC1(C)C(c2ccccc2)=NN(C(=O)COc2cccc3cccnc32)[C@H]1c1ccccc1 ZINC000064426624 563152955 /nfs/dbraw/zinc/15/29/55/563152955.db2.gz BQDKLQQUIVAFHC-MHZLTWQESA-N 0 0 435.527 5.628 1 0 IKAFRN c1c2ccccc2oc1-c1nn(-c2ccccc2)cc1[C@H]1CC(c2cc3ccccc3o2)=NN1 ZINC000064453825 563153599 /nfs/dbraw/zinc/15/35/99/563153599.db2.gz HNYSGZDSGJABIS-JOCHJYFZSA-N 0 0 444.494 6.470 1 0 IKAFRN COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3[nH]c4ccc(OC)cc4c3[C@@H]12 ZINC000064491931 563153781 /nfs/dbraw/zinc/15/37/81/563153781.db2.gz MKQNOLGLBUYUNV-BIYCFNCWSA-N 0 0 431.576 6.685 1 0 IKAFRN COc1ccc2[nH]cc(CC(=O)Nc3ccccc3COc3cccc4scnc43)c2c1 ZINC000064526857 563154384 /nfs/dbraw/zinc/15/43/84/563154384.db2.gz ICLPOEHMFCYLSJ-UHFFFAOYSA-N 0 0 443.528 5.546 1 0 IKAFRN Cc1ccc(-c2nc3ccc(Cl)cc3c(SCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000064527731 563154656 /nfs/dbraw/zinc/15/46/56/563154656.db2.gz WYJDAZSCQUKGGN-UHFFFAOYSA-N 0 0 437.927 6.129 1 0 IKAFRN O=C1c2cc(OCCC(F)(F)F)ccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000064539666 563155056 /nfs/dbraw/zinc/15/50/56/563155056.db2.gz KVPVGJUNEHZCLG-UHFFFAOYSA-N 0 0 425.406 5.414 1 0 IKAFRN COc1cccc(COc2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(-c3ccccc3)cc2)c1 ZINC000064539942 563155203 /nfs/dbraw/zinc/15/52/03/563155203.db2.gz ZKAZSDCSTZCFTM-UHFFFAOYSA-N 0 0 449.506 5.671 1 0 IKAFRN O=C1c2cc(OCC3CCCCC3)ccc2N(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000064540157 563155276 /nfs/dbraw/zinc/15/52/76/563155276.db2.gz AXWMTILQKRILIH-UHFFFAOYSA-N 0 0 425.528 6.042 1 0 IKAFRN O=C1OC2(CN1c1ccccn1)CCC(CNc1ccc(-c3ccccc3F)nc1)CC2 ZINC000064540663 563155336 /nfs/dbraw/zinc/15/53/36/563155336.db2.gz GMLAPGTZUBCPCU-UHFFFAOYSA-N 0 0 432.499 5.280 1 0 IKAFRN C[C@@](O)(c1ccc(S(=O)(=O)c2ccc(-c3ccncc3)cc2Cl)cc1)C(F)(F)F ZINC000064549037 563155629 /nfs/dbraw/zinc/15/56/29/563155629.db2.gz HZEKGMMEFHASKT-LJQANCHMSA-N 0 0 441.858 5.005 1 0 IKAFRN COc1c(F)c(F)cc2c(=O)c(-c3nnc(Nc4ccccc4C)s3)cn(C3CC3)c21 ZINC000064549241 563155645 /nfs/dbraw/zinc/15/56/45/563155645.db2.gz YXUYDRJJCORNOP-UHFFFAOYSA-N 0 0 440.475 5.194 1 0 IKAFRN CCCNc1ncc(-c2cc(-c3ccc(F)cc3Cl)nc(-c3ccccn3)n2)s1 ZINC000064549329 563155700 /nfs/dbraw/zinc/15/57/00/563155700.db2.gz JSEFKQYKLXCXBQ-UHFFFAOYSA-N 0 0 425.920 5.944 1 0 IKAFRN CC(C)(C)c1ccccc1Nc1ncnc2c1CCN(c1ncccc1C(F)(F)F)C2 ZINC000064549433 563155704 /nfs/dbraw/zinc/15/57/04/563155704.db2.gz MKAWBCJAAWUYHJ-UHFFFAOYSA-N 0 0 427.474 5.494 1 0 IKAFRN CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2I)n1 ZINC000066066185 563157031 /nfs/dbraw/zinc/15/70/31/563157031.db2.gz PYUYMBOKENEYDV-CQSZACIVSA-N 0 0 444.316 5.377 1 0 IKAFRN O=C([O-])C1C[NH+](Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4s3)c(F)c2)C1 ZINC000066066282 563157132 /nfs/dbraw/zinc/15/71/32/563157132.db2.gz YHUJYSUWHIWQKN-UHFFFAOYSA-N 0 0 432.520 5.210 1 0 IKAFRN COc1ccc([C@H]2CC(c3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)=NO2)cc1 ZINC000066073999 563157309 /nfs/dbraw/zinc/15/73/09/563157309.db2.gz HFIPEEBYEWGBEK-XMMPIXPASA-N 0 0 436.433 6.524 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2cccc(F)c2)c1[S@](C)=O)c1ccccc1 ZINC000066077440 563157697 /nfs/dbraw/zinc/15/76/97/563157697.db2.gz NPKZRAKVLIOXGJ-GFJKYASSSA-N 0 0 446.547 5.659 1 0 IKAFRN Cc1cc(C)nc(Sc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)n1 ZINC000066078623 563157788 /nfs/dbraw/zinc/15/77/88/563157788.db2.gz NINXKFNRLWVILT-UHFFFAOYSA-N 0 0 434.443 5.787 1 0 IKAFRN O=C(OCCc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1cccnc1 ZINC000066099514 563158084 /nfs/dbraw/zinc/15/80/84/563158084.db2.gz SWZYRBXZCDRYEO-UHFFFAOYSA-N 0 0 439.298 5.296 1 0 IKAFRN Cc1cc2c(sc(C(=O)N(C)C)c2-c2ccc(CCNc3ncccn3)cc2)c(C)c1 ZINC000066100794 563158187 /nfs/dbraw/zinc/15/81/87/563158187.db2.gz JITDPABHFPFTJJ-UHFFFAOYSA-N 0 0 430.577 5.332 1 0 IKAFRN CC(C)(C)NC(=O)Cn1c2ccc(C(C)(C)C(=O)NC(C)(C)C)cc2cc1C(C)(C)C ZINC000066099876 563158199 /nfs/dbraw/zinc/15/81/99/563158199.db2.gz GEBISPTWUCDYIX-UHFFFAOYSA-N 0 0 427.633 5.046 1 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/nfs/dbraw/zinc/15/91/06/563159106.db2.gz QBVIIKWXODYTTK-UHFFFAOYSA-N 0 0 430.331 5.778 1 0 IKAFRN O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2cccc3ccccc32)nc2ccccc21 ZINC000066114118 563159193 /nfs/dbraw/zinc/15/91/93/563159193.db2.gz WJWGIMDGOPMMMM-UHFFFAOYSA-N 0 0 432.439 5.950 1 0 IKAFRN CCC(CC)(NC(=O)c1cnn2c1N[C@H](c1ccccc1)CC2(C)C)c1ccc(OC)cc1 ZINC000066114120 563159194 /nfs/dbraw/zinc/15/91/94/563159194.db2.gz LCKSNKOBGHCPJH-QHCPKHFHSA-N 0 0 446.595 5.629 1 0 IKAFRN CC[C@@]1(c2ccc(CSc3cccc(C)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123175 563159264 /nfs/dbraw/zinc/15/92/64/563159264.db2.gz KIJBXXYTVMRQIL-NDEPHWFRSA-N 0 0 439.580 6.959 1 0 IKAFRN CCC(CC)(NC(=O)c1cnn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccccc1F ZINC000066123326 563159327 /nfs/dbraw/zinc/15/93/27/563159327.db2.gz ILUFJJNLTHNZPD-JOCHJYFZSA-N 0 0 434.559 5.760 1 0 IKAFRN CCc1cccc(CC)c1NC(=O)COc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000066123757 563159333 /nfs/dbraw/zinc/15/93/33/563159333.db2.gz YSHNCAVAPZTKEY-PDGQHHTCSA-N 0 0 426.563 5.158 1 0 IKAFRN CCC(CC)(NC(=O)c1cnn2c1N[C@H](c1ccccc1)CC2(C)C)c1ccccc1F ZINC000066123324 563159366 /nfs/dbraw/zinc/15/93/66/563159366.db2.gz ILUFJJNLTHNZPD-QFIPXVFZSA-N 0 0 434.559 5.760 1 0 IKAFRN COc1ccc(N2C(=O)N3[C@H](c4ccccc4)[C@H](C)C[C@H]4c5ccccc5C[C@@]43C2=O)cc1 ZINC000066148254 563159565 /nfs/dbraw/zinc/15/95/65/563159565.db2.gz GWTUNRHBWJDCDM-FJMPLDJOSA-N 0 0 438.527 5.324 1 0 IKAFRN C[C@H](NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3)c1ccccc1 ZINC000066147899 563159624 /nfs/dbraw/zinc/15/96/24/563159624.db2.gz COGMNWRZIWEDJB-MOPGFXCFSA-N 0 0 427.548 5.039 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000066166557 563159773 /nfs/dbraw/zinc/15/97/73/563159773.db2.gz KLNXYNZIEFQEEJ-UHFFFAOYSA-N 0 0 430.851 6.447 1 0 IKAFRN Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(Cl)c1 ZINC000066167354 563159880 /nfs/dbraw/zinc/15/98/80/563159880.db2.gz CHDLYHTXJUVGMK-UHFFFAOYSA-N 0 0 433.389 6.049 1 0 IKAFRN O=C(c1ccc(OCc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1)C1CC1 ZINC000066251394 563159974 /nfs/dbraw/zinc/15/99/74/563159974.db2.gz XFHJCIITKHDRKM-UHFFFAOYSA-N 0 0 427.327 6.744 1 0 IKAFRN CC[C@H](C)C[C@@H](C(=O)NC1CCCCC1)n1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000066252158 563160064 /nfs/dbraw/zinc/16/00/64/563160064.db2.gz PBWMJJLEMRWVSM-UUOWRZLLSA-N 0 0 438.015 6.783 1 0 IKAFRN CN1c2nn(Cc3cccc(O)c3)cc2C(=O)N(c2ccccc2)c2cc(Cl)ccc21 ZINC000066258503 563160291 /nfs/dbraw/zinc/16/02/91/563160291.db2.gz FKICLCIZKVGMDA-UHFFFAOYSA-N 0 0 430.895 5.350 1 0 IKAFRN Cc1ccc(-c2nc3ncc(-c4nc5cc(F)ccc5[nH]4)cn3c2Nc2ccccc2)cc1 ZINC000066258291 563160302 /nfs/dbraw/zinc/16/03/02/563160302.db2.gz OVQHAPYOSXESQX-UHFFFAOYSA-N 0 0 434.478 6.131 1 0 IKAFRN O=C(c1cccs1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000066259042 563160391 /nfs/dbraw/zinc/16/03/91/563160391.db2.gz WWAWDEKLBQPWBE-XSARVHFWSA-N 0 0 448.975 5.310 1 0 IKAFRN CN1c2ncn(Cc3cccc(O)c3)c2C(=O)N(c2ccccc2)c2cc(Cl)ccc21 ZINC000066259292 563160483 /nfs/dbraw/zinc/16/04/83/563160483.db2.gz JJZNLLMYTKEPJK-UHFFFAOYSA-N 0 0 430.895 5.350 1 0 IKAFRN CCC(C)(C)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2c(C)ccc2C)c1C ZINC000066259439 563160502 /nfs/dbraw/zinc/16/05/02/563160502.db2.gz XQGJEFOMDMDKQT-UHFFFAOYSA-N 0 0 433.383 5.813 1 0 IKAFRN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)c2ccccc2Cl)cc1 ZINC000066259634 563160562 /nfs/dbraw/zinc/16/05/62/563160562.db2.gz JNACCBSRACUOCK-UHFFFAOYSA-N 0 0 446.890 5.241 1 0 IKAFRN FC(F)(F)c1cccc(-c2cn(CC3CC3)c(-c3cccc(CN4CCOCC4)c3)n2)c1 ZINC000066259742 563160607 /nfs/dbraw/zinc/16/06/07/563160607.db2.gz BIHAWDXODSOWQG-UHFFFAOYSA-N 0 0 441.497 5.478 1 0 IKAFRN COc1cc(/C=C/c2nc3sc4c(c3c(N)n2)CCCCC4)ccc1-n1cnc(C)c1 ZINC000066263447 563160893 /nfs/dbraw/zinc/16/08/93/563160893.db2.gz FYIAXSYXQPAMIK-PKNBQFBNSA-N 0 0 431.565 5.216 1 0 IKAFRN Oc1cc(-c2cccs2)cc2c1OCCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC000067908250 563161034 /nfs/dbraw/zinc/16/10/34/563161034.db2.gz WZCZPODMPNGPBJ-UHFFFAOYSA-N 0 0 437.952 5.559 1 0 IKAFRN O=C(NCCO)c1cccc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc32)c1 ZINC000068201355 563161233 /nfs/dbraw/zinc/16/12/33/563161233.db2.gz LBKIJSKRXVUWER-UHFFFAOYSA-N 0 0 439.433 5.432 1 0 in-vitro IKAFRN COc1ccnc2ccc(-c3cn(CC(=O)Nc4ccccc4)nc3-c3cccc(C)n3)cc21 ZINC000071316261 563161979 /nfs/dbraw/zinc/16/19/79/563161979.db2.gz LNUASTFNUJTEQI-UHFFFAOYSA-N 0 0 449.514 5.116 1 0 IKAFRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2cc3ccccc3o2)cc1OC ZINC000071318713 563162129 /nfs/dbraw/zinc/16/21/29/563162129.db2.gz HBVOSMJTIHIBRY-NRFANRHFSA-N 0 0 426.472 5.442 1 0 IKAFRN COc1cc(N2C(=O)[C@H](c3cccs3)[C@H]2c2ccc3ccccc3c2)cc(OC)c1OC ZINC000071329122 563162233 /nfs/dbraw/zinc/16/22/33/563162233.db2.gz HIRTVEMJGXIWIY-DNQXCXABSA-N 0 0 445.540 5.799 1 0 IKAFRN Cc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(C)cc3)C2c2ccc[nH]2)cc1 ZINC000071341895 563162659 /nfs/dbraw/zinc/16/26/59/563162659.db2.gz BGZAIIBIPRCFOS-UHFFFAOYSA-N 0 0 440.547 5.144 1 0 IKAFRN O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3)cc2OCc2ccc(F)cc2)S1 ZINC000072109395 563163225 /nfs/dbraw/zinc/16/32/25/563163225.db2.gz YPPZQANRGKMBPW-UUYOSTAYSA-N 0 0 435.476 5.308 1 0 IKAFRN CCc1nc2c(nc(C)c(C)c2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21 ZINC000072109927 563163326 /nfs/dbraw/zinc/16/33/26/563163326.db2.gz PQLMUUHTNDBXNG-QHCPKHFHSA-N 0 0 449.562 5.302 1 0 IKAFRN CC(C)c1nc2cc3c(cc2n1Cc1ccccc1)oc(-c1ccc(C(N)=O)cc1)cc3=O ZINC000072110272 563163329 /nfs/dbraw/zinc/16/33/29/563163329.db2.gz QUFVJIQVLNWBBM-UHFFFAOYSA-N 0 0 437.499 5.080 1 0 IKAFRN Cn1c2ccccc2c2cc([C@@H]3Nc4ccc(Br)cc4[C@@H]4OCCC[C@H]34)ccc21 ZINC000072114362 563163659 /nfs/dbraw/zinc/16/36/59/563163659.db2.gz QVNGINIDVBNNPO-AYCKEJKLSA-N 0 0 447.376 6.729 1 0 IKAFRN Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000072122781 563164011 /nfs/dbraw/zinc/16/40/11/563164011.db2.gz OLFXTZUEIADXON-UHFFFAOYSA-N 0 0 443.450 5.533 1 0 IKAFRN CC[C@H](c1nc2ccccc2[nH]1)N(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)on1 ZINC000072135024 563164113 /nfs/dbraw/zinc/16/41/13/563164113.db2.gz JGQILKLDYPWVHG-HSZRJFAPSA-N 0 0 437.503 5.407 3 0 IKAFRN C[C@@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000072136453 563164187 /nfs/dbraw/zinc/16/41/87/563164187.db2.gz WEPDOROMUPGPKS-QVKFZJNVSA-N 0 0 431.916 5.192 1 0 IKAFRN C[C@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1F ZINC000072136605 563164209 /nfs/dbraw/zinc/16/42/09/563164209.db2.gz LCUHWXWLALSVDB-LHSJRXKWSA-N 0 0 449.906 5.331 1 0 IKAFRN O=S1(=O)c2cccc(Cl)c2OC[C@H](c2ccccc2)N1Cc1cccc(Cl)c1 ZINC000072138263 563164235 /nfs/dbraw/zinc/16/42/35/563164235.db2.gz QKSXUAPIBGAFGR-LJQANCHMSA-N 0 0 434.344 5.318 1 0 IKAFRN COC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3ccsc3)n2c1 ZINC000072138257 563164237 /nfs/dbraw/zinc/16/42/37/563164237.db2.gz CHIXCMHWVYUEDW-UHFFFAOYSA-N 0 0 427.323 5.203 3 0 IKAFRN Brc1cccc(-c2nc3ccc(Br)cn3c2Cc2ccsc2)c1 ZINC000072139400 563164342 /nfs/dbraw/zinc/16/43/42/563164342.db2.gz RRTOBDINYBZSJA-UHFFFAOYSA-N 0 0 448.183 6.179 3 0 IKAFRN C[C@@H](c1ccc(-c2ccc(F)cc2)cc1)N1CC[C@](CCO)(c2ccc(F)cc2)OC1=O ZINC000072141545 563164679 /nfs/dbraw/zinc/16/46/79/563164679.db2.gz XKUYBHWZCQUCGO-QYBDOPJKSA-N 0 0 437.486 5.813 1 0 IKAFRN CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2ccccc2)cs1)C1CCCCC1 ZINC000072142343 563164698 /nfs/dbraw/zinc/16/46/98/563164698.db2.gz JYBUJWCGCMUDMY-UHFFFAOYSA-N 0 0 431.565 5.559 1 0 IKAFRN O=NN1[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000072142388 563164711 /nfs/dbraw/zinc/16/47/11/563164711.db2.gz YQNVENJYPXQQMB-PMVMPFDFSA-N 0 0 425.315 6.516 1 0 IKAFRN Cc1ccc(C(=O)Nc2ccon2)cc1-c1ccc2c(c1)NC(=O)C21CCC(F)(F)CC1 ZINC000072142831 563164863 /nfs/dbraw/zinc/16/48/63/563164863.db2.gz IRPKJXGDXVWWFC-UHFFFAOYSA-N 0 0 437.446 5.302 1 0 IKAFRN N#CN1[C@H](c2ccccc2)[C@@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000072171845 563164958 /nfs/dbraw/zinc/16/49/58/563164958.db2.gz HYBASOOOYSQEOZ-VJLHXPKFSA-N 0 0 428.535 6.402 1 0 IKAFRN CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(N)=O)N(C(=O)c3ccccc3)[C@H]1Nc1ccccc12 ZINC000072170984 563164968 /nfs/dbraw/zinc/16/49/68/563164968.db2.gz DHCPWNXQBGRKKD-RCDYTHDVSA-N 0 0 443.591 5.159 1 0 IKAFRN O=NN1[C@H](c2ccccc2)[C@@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000072172166 563165038 /nfs/dbraw/zinc/16/50/38/563165038.db2.gz YOSWCGUILOMJQV-JUDWXZBOSA-N 0 0 432.523 6.603 1 0 IKAFRN COc1cc(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1OC1CCCC1 ZINC000072173056 563165107 /nfs/dbraw/zinc/16/51/07/563165107.db2.gz VDXCBKPQBCVDHE-UHFFFAOYSA-N 0 0 443.544 5.181 1 0 IKAFRN CN(C(=O)c1cc2c(s1)-c1ccc(-c3cn[nH]c3)cc1OCC2)c1ccccc1Cl ZINC000072173150 563165125 /nfs/dbraw/zinc/16/51/25/563165125.db2.gz OFXOYSAUGHFJJQ-UHFFFAOYSA-N 0 0 435.936 5.670 1 0 IKAFRN COc1cc(-c2cc(C(C)C)c(N[C@@H](C)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1 ZINC000072173528 563165180 /nfs/dbraw/zinc/16/51/80/563165180.db2.gz QLZIPZSSIJMSKJ-SFHVURJKSA-N 0 0 445.542 6.082 1 0 IKAFRN COc1ccc(/C=C2\CCCCc3c(-c4ccc(OC)c(OC)c4)nc(N)nc32)cc1OC ZINC000072176590 563165680 /nfs/dbraw/zinc/16/56/80/563165680.db2.gz AFIUYNQVUPEWNU-GHRIWEEISA-N 0 0 447.535 5.027 1 0 IKAFRN COc1cc(-c2ccc(O)c(CC=C(C)C)c2)c(OC)c2oc3cc(OC)c(O)cc3c21 ZINC000072176767 563165797 /nfs/dbraw/zinc/16/57/97/563165797.db2.gz HWBQSNYBSJLMIS-UHFFFAOYSA-N 0 0 434.488 6.199 1 0 in-vitro IKAFRN COc1cc(-c2ccc(O)c(CC=C(C)C)c2)c(OC)c2oc3cc(OC)c(OC)cc3c21 ZINC000072176766 563165808 /nfs/dbraw/zinc/16/58/08/563165808.db2.gz JIAZRMIMWOXXHE-UHFFFAOYSA-N 0 0 448.515 6.502 1 0 in-vitro IKAFRN O=C1[C@@H](n2cc(-c3ccccc3)nn2)[C@@H](/C=C/c2ccccc2)N1c1ccc(Cl)cc1 ZINC000072178361 563166200 /nfs/dbraw/zinc/16/62/00/563166200.db2.gz GKFGAYIWJDYHLH-LIALUFNXSA-N 0 0 426.907 5.268 1 0 IKAFRN CO[C@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)c3c(c21)Oc1cc(O)c(C)c2c1[C@H]3O[C@H](C)[C@H]2C ZINC000072178523 563166268 /nfs/dbraw/zinc/16/62/68/563166268.db2.gz HRXCZVGVMBEMLM-LDIJAATQSA-N 0 0 426.509 5.599 1 0 IKAFRN c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000072179173 563166483 /nfs/dbraw/zinc/16/64/83/563166483.db2.gz QRNLBGBHCRCSKR-UHFFFAOYSA-N 0 0 438.534 7.468 1 0 IKAFRN Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc(Cl)cc3)C2)cc1C ZINC000072179632 563166578 /nfs/dbraw/zinc/16/65/78/563166578.db2.gz YZVSCCMTUKESSP-RUZDIDTESA-N 0 0 444.003 7.436 1 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccc(C(F)(F)F)c1 ZINC000072179731 563166629 /nfs/dbraw/zinc/16/66/29/563166629.db2.gz JRSQYSLSGRZKNR-WJGLBBAVSA-N 0 0 430.510 6.241 1 0 IKAFRN CC[C@@H](C)[C@@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072180200 563166771 /nfs/dbraw/zinc/16/67/71/563166771.db2.gz RVZGSHOSWHWPMO-ATIYNZHBSA-N 0 0 431.624 6.441 1 0 IKAFRN C[C@H]1C[C@H](c2nc(-c3ccc4ccccc4n3)no2)CCN1C(=O)Nc1ccccc1Cl ZINC000072180372 563166859 /nfs/dbraw/zinc/16/68/59/563166859.db2.gz TYOHMZNJKGNDTI-DOTOQJQBSA-N 0 0 447.926 5.738 1 0 IKAFRN Cc1ccc(N2CCN(Cc3coc(-c4ccc(OC(F)(F)F)cc4)n3)CC2)c(C)c1 ZINC000072180941 563167035 /nfs/dbraw/zinc/16/70/35/563167035.db2.gz LPWKKFRRLRBAIK-UHFFFAOYSA-N 0 0 431.458 5.179 1 0 IKAFRN Cc1nc2cc(C(=O)N[C@H](C)c3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000072181317 563167143 /nfs/dbraw/zinc/16/71/43/563167143.db2.gz KRATVDDKLSLZQX-OAHLLOKOSA-N 0 0 438.358 6.191 1 0 IKAFRN CC[C@H](C)[C@@H](NCc1ccccc1OC)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072181458 563167251 /nfs/dbraw/zinc/16/72/51/563167251.db2.gz QUYHWFCDBBRAOW-HFZDXXHNSA-N 0 0 447.623 6.141 1 0 IKAFRN c1[nH]c2ccccc2c1CCNc1nc2ncccc2c(NCCc2c[nH]c3ccccc23)n1 ZINC000072182375 563167393 /nfs/dbraw/zinc/16/73/93/563167393.db2.gz VKWMRERVIVCNQB-UHFFFAOYSA-N 0 0 447.546 5.297 1 0 IKAFRN CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000072183833 563167675 /nfs/dbraw/zinc/16/76/75/563167675.db2.gz FVOWWSRLGCNEGB-VJENCBHGSA-N 0 0 434.705 6.208 1 0 IKAFRN CC[C@H](C)[C@@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072184258 563167759 /nfs/dbraw/zinc/16/77/59/563167759.db2.gz XLYFKUYOYSCHFH-WMZHIEFXSA-N 0 0 435.568 5.064 1 0 IKAFRN CC[C@@H](C)[C@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072185373 563168112 /nfs/dbraw/zinc/16/81/12/563168112.db2.gz YZYGOZIGGKPNTA-YKSBVNFPSA-N 0 0 433.596 6.218 1 0 IKAFRN O[C@](c1cc(-c2ccccc2)on1)(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000072185939 563168189 /nfs/dbraw/zinc/16/81/89/563168189.db2.gz LHBPDTASSUNLNX-QFIPXVFZSA-N 0 0 429.825 6.298 1 0 IKAFRN FC(F)(F)c1cccc(N2CCN(Cc3coc(-c4cccc5ccccc54)n3)CC2)c1 ZINC000072186354 563168285 /nfs/dbraw/zinc/16/82/85/563168285.db2.gz ASVONULRKMDGPL-UHFFFAOYSA-N 0 0 437.465 5.836 1 0 IKAFRN O=C(c1ccccc1)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)C1CCCCC1 ZINC000073138646 563168796 /nfs/dbraw/zinc/16/87/96/563168796.db2.gz LLCAZQCQLFVRTL-QHCPKHFHSA-N 0 0 426.560 5.631 1 0 IKAFRN O=C(c1ccccc1)[C@@H](c1c[nH]c2ccc(Br)cc21)[C@H]1C(=O)Nc2ccccc21 ZINC000073138685 563168808 /nfs/dbraw/zinc/16/88/08/563168808.db2.gz OEROHWACZCZDEQ-VXKWHMMOSA-N 0 0 445.316 5.633 1 0 IKAFRN O=C(c1ccccc1)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1CCCCC1 ZINC000073138648 563168819 /nfs/dbraw/zinc/16/88/19/563168819.db2.gz LLCAZQCQLFVRTL-HSZRJFAPSA-N 0 0 426.560 5.631 1 0 IKAFRN Cc1cccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)c1 ZINC000073141172 563168972 /nfs/dbraw/zinc/16/89/72/563168972.db2.gz DORONXPGVMNNNC-NRFANRHFSA-N 0 0 442.544 5.811 1 0 IKAFRN CCc1cccc2[nH]c(C[C@@](O)(CC(C)(C)c3cc(F)ccc3OC)C(F)(F)F)cc21 ZINC000073141376 563168974 /nfs/dbraw/zinc/16/89/74/563168974.db2.gz VDCNLLFWCBGVMM-HSZRJFAPSA-N 0 0 437.477 6.082 1 0 IKAFRN Cn1cc(C=C2C(=O)NN=C2c2nccs2)c2c1cccc2OCc1ccc(F)cc1 ZINC000073156807 563169132 /nfs/dbraw/zinc/16/91/32/563169132.db2.gz SILSDXCCWFMXKP-BOPFTXTBSA-N 0 0 432.480 5.111 1 0 IKAFRN OCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21 ZINC000073169036 563169732 /nfs/dbraw/zinc/16/97/32/563169732.db2.gz FLFHZVYTVPANLR-UHFFFAOYSA-N 0 0 448.832 5.632 1 0 IKAFRN CC(C)(C)Oc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(C(F)(F)F)cn2)cc1 ZINC000073168519 563169754 /nfs/dbraw/zinc/16/97/54/563169754.db2.gz QZVKYTBQVHAICK-UHFFFAOYSA-N 0 0 445.441 5.913 1 0 IKAFRN Cn1ccc2ncnc(Nc3ccc(Oc4cccc(OC(F)(F)F)c4)c(Cl)c3)c21 ZINC000073169031 563169783 /nfs/dbraw/zinc/16/97/83/563169783.db2.gz QFMCOTDYFYKZNH-UHFFFAOYSA-N 0 0 434.805 6.056 1 0 IKAFRN COc1cc(Nc2nc3c(s2)CCC[C@H]3c2ccccc2)ccc1-c1cnc(C)s1 ZINC000073170053 563169856 /nfs/dbraw/zinc/16/98/56/563169856.db2.gz VDFJAGJWYNXAEA-SFHVURJKSA-N 0 0 433.602 6.795 1 0 IKAFRN CN(c1ccc(F)c(Cl)c1)c1ncnc2sc(C(=O)c3cc4ccccc4[nH]3)cc21 ZINC000073198420 563170000 /nfs/dbraw/zinc/17/00/00/563170000.db2.gz NTTSBRQVYORONV-UHFFFAOYSA-N 0 0 436.899 5.964 1 0 IKAFRN CCNC(=O)c1ccc2c(c1)-c1sc(C(=O)N(C)c3ccccc3Cl)cc1CCO2 ZINC000073198599 563170083 /nfs/dbraw/zinc/17/00/83/563170083.db2.gz UNOKQMHGASWYJJ-UHFFFAOYSA-N 0 0 440.952 5.030 1 0 IKAFRN CCCCCCN(CCCCCC)C(=O)[C@H]1CCCc2c1c1ccccc1n2CCF ZINC000073199052 563170161 /nfs/dbraw/zinc/17/01/61/563170161.db2.gz IEPBDJLCCQHAQX-QHCPKHFHSA-N 0 0 428.636 7.020 1 0 IKAFRN Fc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3cccs3)[nH]c(=S)n2)cc1 ZINC000073223074 563170751 /nfs/dbraw/zinc/17/07/51/563170751.db2.gz NQQCSGQAHRXKMH-UHFFFAOYSA-N 0 0 430.533 6.153 1 0 IKAFRN CO[C@H]1O[C@@]2(OC)C[C@@](C)(O)[C@H]3C[C@@]4(C)CC[C@H]([C@@H](C)/C=C\C=C(C)C)[C@@H]4CC=C1[C@H]32 ZINC000073224670 563171027 /nfs/dbraw/zinc/17/10/27/563171027.db2.gz IJDXBTKKTDHRMD-OEGXZRSOSA-N 0 0 430.629 5.630 1 0 IKAFRN COc1ccc(Oc2c(Cl)cnn(C3c4ccccc4CCc4ccccc43)c2=O)cc1 ZINC000073241337 563171441 /nfs/dbraw/zinc/17/14/41/563171441.db2.gz IPLCWJLBWRPXQF-UHFFFAOYSA-N 0 0 444.918 5.434 1 0 IKAFRN COc1ccc(Oc2c(Cl)cnn(C3c4ccccc4Oc4ccccc43)c2=O)cc1 ZINC000073258945 563171464 /nfs/dbraw/zinc/17/14/64/563171464.db2.gz FJEZSQVSLDYNAF-UHFFFAOYSA-N 0 0 432.863 5.441 1 0 IKAFRN Cc1cc(-c2noc(-c3ccc(Oc4ccccc4)cc3)n2)sc1C[NH+]1CC(C(=O)[O-])C1 ZINC000073273426 563171488 /nfs/dbraw/zinc/17/14/88/563171488.db2.gz NWILTLNGJXEDDX-UHFFFAOYSA-N 0 0 447.516 5.082 1 0 IKAFRN O=C(Nc1ccc(-c2ccnc3[nH]cnc32)cc1)Nc1cccc(C(=O)Nc2ccccc2)c1 ZINC000073258740 563171512 /nfs/dbraw/zinc/17/15/12/563171512.db2.gz XUOFRIRHKXSQDU-UHFFFAOYSA-N 0 0 448.486 5.521 3 0 IKAFRN COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3OCc3ccccc3)c2=O)cc1 ZINC000073277372 563171645 /nfs/dbraw/zinc/17/16/45/563171645.db2.gz HIBLDXBJNJLETI-UHFFFAOYSA-N 0 0 448.906 5.325 1 0 IKAFRN CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3ncnc4[nH]cc(Cl)c43)cc2)c1 ZINC000073276971 563171687 /nfs/dbraw/zinc/17/16/87/563171687.db2.gz WRCCQNZGVMRARX-UHFFFAOYSA-N 0 0 448.914 5.061 1 0 IKAFRN Cc1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)cc3)nc2c1 ZINC000073278250 563171755 /nfs/dbraw/zinc/17/17/55/563171755.db2.gz SHXZPOUGUMBZNW-UHFFFAOYSA-N 0 0 444.456 7.771 1 0 IKAFRN CC1CCN(C(=O)N2CC(O[C@H](c3ccc(Cl)cc3)c3cccnc3Cl)C2)CC1 ZINC000073293226 563171910 /nfs/dbraw/zinc/17/19/10/563171910.db2.gz YANAKJOERYVQEK-HXUWFJFHSA-N 0 0 434.367 5.031 1 0 IKAFRN COc1ccc([C@H](CC(=O)CCc2ccc3cc(OC)ccc3c2)Nc2cc(C)on2)cc1 ZINC000073294392 563172006 /nfs/dbraw/zinc/17/20/06/563172006.db2.gz QAPSLYVISAVJLX-SANMLTNESA-N 0 0 444.531 5.899 1 0 IKAFRN O=c1c(Oc2ccc3c(c2)OCO3)c(Cl)cnn1C1c2ccccc2-c2ccccc21 ZINC000073296167 563172058 /nfs/dbraw/zinc/17/20/58/563172058.db2.gz YYHQWTILTXBLND-UHFFFAOYSA-N 0 0 430.847 5.036 1 0 IKAFRN COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3ccc(C)cc3)ccc2c1 ZINC000073315223 563172404 /nfs/dbraw/zinc/17/24/04/563172404.db2.gz FJNBETHCWXJELX-AREMUKBSSA-N 0 0 428.532 6.198 1 0 IKAFRN COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3ccc(Cl)cc3)ccc2c1 ZINC000073315199 563172424 /nfs/dbraw/zinc/17/24/24/563172424.db2.gz JWNINJJVWPEXOI-VWLOTQADSA-N 0 0 448.950 6.543 1 0 IKAFRN COc1ccccc1Cc1c(-c2ccc(F)cc2)nc2cc(C)c(Br)c(C)n21 ZINC000073417812 563172773 /nfs/dbraw/zinc/17/27/73/563172773.db2.gz LETMCSFLVGJNOO-UHFFFAOYSA-N 0 0 439.328 6.119 3 0 IKAFRN CC1=CC[C@H]2[C@H](CC[C@]2(C)O)C(C)(C)[C@@H]1CC[C@@H]1[C@](C)(O)CC[C@@H]2O[C@H](O)CC[C@]21C ZINC000073413497 563172816 /nfs/dbraw/zinc/17/28/16/563172816.db2.gz QHUWGQUBUQPIRE-DEOUKZKDSA-N 0 0 434.661 5.201 1 0 IKAFRN Nc1cccc(Oc2cc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn2)c1 ZINC000082152673 563173390 /nfs/dbraw/zinc/17/33/90/563173390.db2.gz JVUPYBZTROENBO-UHFFFAOYSA-N 0 0 436.874 5.966 1 0 IKAFRN Clc1cc2nc([C@@H]3CCCN3c3cc(NCc4ccccc4)ncn3)[nH]c2cc1Cl ZINC000082154543 563173442 /nfs/dbraw/zinc/17/34/42/563173442.db2.gz UHQQRAGZDMALFK-IBGZPJMESA-N 0 0 439.350 5.613 1 0 IKAFRN CCN(CC)C(=O)c1ccc(C(c2ccccn2)=C2CCN(Cc3cscn3)CC2)cc1 ZINC000082156862 563173635 /nfs/dbraw/zinc/17/36/35/563173635.db2.gz MLCSQCQQXKVRFQ-UHFFFAOYSA-N 0 0 446.620 5.118 1 0 IKAFRN C1=C/CN(Cc2ccccn2)Cc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1 ZINC000082158769 563173996 /nfs/dbraw/zinc/17/39/96/563173996.db2.gz MFQNYMZZSRZQKB-DAFODLJHSA-N 0 0 449.558 5.623 1 0 IKAFRN CCc1cc(C[NH+]2CC(C(=O)[O-])C2)sc1-c1ncc(-c2ccc(OC(C)C)cc2)s1 ZINC000084635583 563174775 /nfs/dbraw/zinc/17/47/75/563174775.db2.gz ISWMRJKYFBBRCA-UHFFFAOYSA-N 0 0 442.606 5.405 1 0 IKAFRN CCNC(=O)N[C@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 ZINC000084653534 563175025 /nfs/dbraw/zinc/17/50/25/563175025.db2.gz LOEKJIKYSAMXPR-KRWDZBQOSA-N 0 0 445.350 5.379 1 0 IKAFRN Cc1c(=O)c2ccc(Cl)cc2[nH]c1-c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1 ZINC000084670153 563175131 /nfs/dbraw/zinc/17/51/31/563175131.db2.gz JIOZNQLEPBWGST-UHFFFAOYSA-N 0 0 430.813 6.118 1 0 IKAFRN COc1cc([C@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Nc2ccccc2)ccc1O ZINC000084670047 563175140 /nfs/dbraw/zinc/17/51/40/563175140.db2.gz YSFRBKVTAWCDKZ-HXUWFJFHSA-N 0 0 427.460 5.530 1 0 IKAFRN COc1ccc(Cn2cc(-c3nnc(Nc4ccc(OC)cc4)s3)c3ccccc32)cc1 ZINC000084670655 563175240 /nfs/dbraw/zinc/17/52/40/563175240.db2.gz RSIDKRRVKNKHMT-UHFFFAOYSA-N 0 0 442.544 5.969 1 0 IKAFRN Cc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc(-c3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000084672018 563175464 /nfs/dbraw/zinc/17/54/64/563175464.db2.gz URLAQSXTWBIKJV-UQBPGWFLSA-N 0 0 439.584 6.319 1 0 IKAFRN CCCCCCNC(=O)CC1=C(C)/C(=C/c2ccc([S@](C)=O)cc2)c2ccc(F)cc21 ZINC000084672299 563175577 /nfs/dbraw/zinc/17/55/77/563175577.db2.gz FKGLMGUVNRSPML-UJNAHJLLSA-N 0 0 439.596 5.977 1 0 IKAFRN O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)c1cccc2c1OCCO2 ZINC000084672183 563175595 /nfs/dbraw/zinc/17/55/95/563175595.db2.gz NVDKILXCXNCRQG-UHFFFAOYSA-N 0 0 432.867 5.050 1 0 IKAFRN CCCCCCNC(=O)CC1=C(C)/C(=C/c2ccc([S@@](C)=O)cc2)c2ccc(F)cc21 ZINC000084672300 563175617 /nfs/dbraw/zinc/17/56/17/563175617.db2.gz FKGLMGUVNRSPML-CNCAVXGMSA-N 0 0 439.596 5.977 1 0 IKAFRN Cc1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)[C@H]2c2cn(C)c3ccccc23)cc1 ZINC000084687524 563175753 /nfs/dbraw/zinc/17/57/53/563175753.db2.gz KOILPVYMZKTHKD-GDLZYMKVSA-N 0 0 442.562 6.561 1 0 IKAFRN Cc1ccc(N2C(=O)C(c3ccccc3)(c3ccccc3)[C@@H]2c2cn(C)c3ccccc23)cc1 ZINC000084687525 563175774 /nfs/dbraw/zinc/17/57/74/563175774.db2.gz KOILPVYMZKTHKD-LJAQVGFWSA-N 0 0 442.562 6.561 1 0 IKAFRN CC1(C)C=Cc2cc(CN(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)ccc2O1 ZINC000084688095 563175988 /nfs/dbraw/zinc/17/59/88/563175988.db2.gz KLVJIGUKADABIL-UHFFFAOYSA-N 0 0 441.499 5.545 1 0 IKAFRN CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(Cl)c(OC(F)F)cc3C)ncnc21 ZINC000084689408 563176080 /nfs/dbraw/zinc/17/60/80/563176080.db2.gz BDTYNQOKCDKEBV-OAHLLOKOSA-N 0 0 434.874 5.086 1 0 IKAFRN CC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(Cl)c(OC(F)F)cc3C)ncnc21 ZINC000084689407 563176131 /nfs/dbraw/zinc/17/61/31/563176131.db2.gz BDTYNQOKCDKEBV-HNNXBMFYSA-N 0 0 434.874 5.086 1 0 IKAFRN Cc1nn(C)c(C)c1-c1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1 ZINC000084703739 563176587 /nfs/dbraw/zinc/17/65/87/563176587.db2.gz SBHODUNGGJKTHR-UHFFFAOYSA-N 0 0 426.520 5.239 1 0 IKAFRN COC(=O)c1ccc(Cn2c3ccccc3nc2[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000084705349 563176801 /nfs/dbraw/zinc/17/68/01/563176801.db2.gz KCAQRSYEOOYLPK-FQEVSTJZSA-N 0 0 426.560 6.222 1 0 IKAFRN CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)C(C)C ZINC000084705788 563176817 /nfs/dbraw/zinc/17/68/17/563176817.db2.gz QJWFSEVBDLTXAL-RUNCGKLVSA-N 0 0 444.700 5.742 1 0 IKAFRN COC(=O)CCSC/C=C(\C)CCn1cc(CCc2ccccc2-c2ccccc2)nn1 ZINC000084705902 563176819 /nfs/dbraw/zinc/17/68/19/563176819.db2.gz YDPLYYDKRJREEO-RCCKNPSSSA-N 0 0 449.620 5.363 1 0 IKAFRN Clc1ccc(C2=NN(c3ncc(Br)cn3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000084706515 563176936 /nfs/dbraw/zinc/17/69/36/563176936.db2.gz HXBHIYATCMZFAD-GOSISDBHSA-N 0 0 448.151 5.902 1 0 IKAFRN COc1cc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)[nH][nH]c-3cc2=O)ccc1Cl ZINC000084710092 563177232 /nfs/dbraw/zinc/17/72/32/563177232.db2.gz ASZMRYJQUICXIL-UHFFFAOYSA-N 0 0 449.938 5.102 1 0 IKAFRN [NH3+][C@@H](CS[C@](Cc1ccccc1)(c1ccc(Cl)cc1)c1cccc(Cl)c1)C(=O)[O-] ZINC000084710599 563177357 /nfs/dbraw/zinc/17/73/57/563177357.db2.gz IWWVAZMDKATSOE-JTHBVZDNSA-N 0 0 446.399 5.625 1 0 IKAFRN COc1ccc([C@]23Sc4cc(Br)ccc4N=C2c2ccccc2C3=O)cc1 ZINC000084714363 563177876 /nfs/dbraw/zinc/17/78/76/563177876.db2.gz FMWSWPARQQPFDW-QFIPXVFZSA-N 0 0 436.330 5.776 1 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/nfs/dbraw/zinc/17/87/66/563178766.db2.gz LXVCWENZGYILIK-UHFFFAOYSA-N 0 0 447.623 5.832 1 0 IKAFRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N(C)C(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000084741134 563179072 /nfs/dbraw/zinc/17/90/72/563179072.db2.gz IAVDKJWBPMWUDM-WCKWMXOKSA-N 0 0 435.652 6.375 1 0 IKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21 ZINC000084741648 563179175 /nfs/dbraw/zinc/17/91/75/563179175.db2.gz YXQYTSDYWOYZGY-UHFFFAOYSA-N 0 0 430.592 6.790 1 0 IKAFRN COc1cccc2[nH]c(-c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3)c(C)c(=O)c21 ZINC000084757136 563179418 /nfs/dbraw/zinc/17/94/18/563179418.db2.gz SZQXIRJNPWLVNL-UHFFFAOYSA-N 0 0 439.433 6.002 1 0 IKAFRN CCOc1ccc(NC(=S)N2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000084757577 563179441 /nfs/dbraw/zinc/17/94/41/563179441.db2.gz JUNMTHXIWCTLIP-UHFFFAOYSA-N 0 0 428.601 6.380 1 0 IKAFRN CCCN(CCC)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc21 ZINC000084757426 563179448 /nfs/dbraw/zinc/17/94/48/563179448.db2.gz QNEGIRBIDXLQTH-UHFFFAOYSA-N 0 0 438.568 6.126 1 0 IKAFRN CN(C)c1cccc(OC[C@H]2Cc3ccccc3CN2C(=O)c2cccc3ccccc32)c1 ZINC000084758173 563179510 /nfs/dbraw/zinc/17/95/10/563179510.db2.gz YDBIGTPIWPFGJX-RUZDIDTESA-N 0 0 436.555 5.552 1 0 IKAFRN CN(C)c1cccc(OC[C@@H]2Cc3ccccc3CN2C(=O)c2cccc3ccccc32)c1 ZINC000084758172 563179575 /nfs/dbraw/zinc/17/95/75/563179575.db2.gz YDBIGTPIWPFGJX-VWLOTQADSA-N 0 0 436.555 5.552 1 0 IKAFRN Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(F)c(-c2ccccc2)c1 ZINC000085679118 563179966 /nfs/dbraw/zinc/17/99/66/563179966.db2.gz UAVDTYVNLUIZCY-UHFFFAOYSA-N 0 0 448.545 6.599 1 0 IKAFRN CC(C)(C)CC(=O)N[C@](Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000095552923 563181022 /nfs/dbraw/zinc/18/10/22/563181022.db2.gz VEKPYEXAFDUONM-RUZDIDTESA-N 0 0 440.509 6.139 1 0 IKAFRN Cc1cc(-c2ccccc2)n2ncc(C(=O)Nc3ccccc3Sc3ccccc3)c2n1 ZINC000095553768 563181103 /nfs/dbraw/zinc/18/11/03/563181103.db2.gz SNMBEWMNBFVKHE-UHFFFAOYSA-N 0 0 436.540 6.108 1 0 IKAFRN O=C(Nc1cc(Cl)cc2c3cc(NCc4ccccc4)ncc3[nH]c21)c1ccccn1 ZINC000095554582 563181182 /nfs/dbraw/zinc/18/11/82/563181182.db2.gz NZRJQPJRTDPLML-UHFFFAOYSA-N 0 0 427.895 5.629 1 0 IKAFRN CC[C@@H](C)c1cc(-c2ccc(OCC(=O)[O-])c([C@H](C)CC)c2)ccc1OCC[NH+](C)C ZINC000095555354 563181333 /nfs/dbraw/zinc/18/13/33/563181333.db2.gz AAKIKGCJVGKMAI-RTBURBONSA-N 0 0 427.585 5.784 1 0 IKAFRN CCC[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6C[C@@](C)(C4)C[C@](C)(C6)C5)cn1c23 ZINC000095556481 563181527 /nfs/dbraw/zinc/18/15/27/563181527.db2.gz BKTJKWJUVAXLAS-PEYYEFRBSA-N 0 0 434.580 5.214 1 0 IKAFRN COc1ccc2c(c1)N(C(=O)Nc1cc(OC(F)(F)F)cc(-c3cccnc3)c1)CC2 ZINC000095556579 563181532 /nfs/dbraw/zinc/18/15/32/563181532.db2.gz BYTSKINKCTULOS-UHFFFAOYSA-N 0 0 429.398 5.250 1 0 IKAFRN COc1c(F)c(F)ccc1C1CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1 ZINC000095557882 563181753 /nfs/dbraw/zinc/18/17/53/563181753.db2.gz XDZFHMNHWHUANI-UHFFFAOYSA-N 0 0 432.902 5.006 1 0 IKAFRN Cc1ccc(NC(=O)CSc2nccnc2-c2ccccc2Cl)c(Br)c1 ZINC000095559927 563182048 /nfs/dbraw/zinc/18/20/48/563182048.db2.gz CSCTVSNGJAJDDL-UHFFFAOYSA-N 0 0 448.773 5.599 1 0 IKAFRN CCCn1cc(C(=O)c2cccc3cccc(I)c32)c2ccccc21 ZINC000095560153 563182181 /nfs/dbraw/zinc/18/21/81/563182181.db2.gz UMJSYQSBASNWIN-UHFFFAOYSA-N 0 0 439.296 6.040 1 0 IKAFRN COc1ccc(F)cc1C1CCN(c2ccn3c(CC(F)(F)F)nnc3c2Cl)CC1 ZINC000095560714 563182222 /nfs/dbraw/zinc/18/22/22/563182222.db2.gz ZAHRLTQFDAVZMQ-UHFFFAOYSA-N 0 0 442.844 5.019 1 0 IKAFRN COc1c(F)ccc(F)c1C1CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1 ZINC000095560653 563182280 /nfs/dbraw/zinc/18/22/80/563182280.db2.gz OXFCYNMUHYQEJB-UHFFFAOYSA-N 0 0 432.902 5.006 1 0 IKAFRN O=C1CN(CC2CCCCC2)C(=O)c2ccccc2N1Cc1ccc(-c2ccccc2)cc1 ZINC000095561159 563182349 /nfs/dbraw/zinc/18/23/49/563182349.db2.gz LSXBYTLUVCJQRT-UHFFFAOYSA-N 0 0 438.571 5.923 1 0 IKAFRN COc1c(F)cccc1C1CCN(c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1 ZINC000095562316 563182606 /nfs/dbraw/zinc/18/26/06/563182606.db2.gz SUIITPIUKORVAN-UHFFFAOYSA-N 0 0 448.464 5.232 1 0 IKAFRN Nc1c2c(nc3c1[C@@H](c1ccc(Cl)c(Cl)c1)c1ccc4ccccc4c1O3)CCCC2 ZINC000095563271 563182817 /nfs/dbraw/zinc/18/28/17/563182817.db2.gz IFYBUPQCUTZITP-QFIPXVFZSA-N 0 0 447.365 7.289 1 0 IKAFRN CCCCCn1c(C)c(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21 ZINC000095563300 563182835 /nfs/dbraw/zinc/18/28/35/563182835.db2.gz RFJVQUYCUPFOIP-UHFFFAOYSA-N 0 0 434.377 7.287 1 0 IKAFRN Cc1nn(C(=O)COc2ccc(Cl)cc2Cl)c2c1nnc1cc(Cl)c(F)cc21 ZINC000095564228 563183102 /nfs/dbraw/zinc/18/31/02/563183102.db2.gz VMSUYIDDPJNNGJ-UHFFFAOYSA-N 0 0 439.661 5.106 1 0 IKAFRN CCCCCc1c(-c2ccc(Br)cc2)ncn1CCc1ccccc1OC ZINC000095565768 563183335 /nfs/dbraw/zinc/18/33/35/563183335.db2.gz SEUXLCPSEDPLFB-UHFFFAOYSA-N 0 0 427.386 6.297 3 0 IKAFRN CC(C)(C)NC(=O)[C@@H](CCc1ccccc1)n1c2ccccc2nc(-c2ccccc2)c1=O ZINC000095566388 563183505 /nfs/dbraw/zinc/18/35/05/563183505.db2.gz LGXHADYIDLQVFC-XMMPIXPASA-N 0 0 439.559 5.152 3 0 IKAFRN Cc1cc2nc(C3CCCCC3)c(Cc3cccc(Cl)c3)n2c(C)c1Br ZINC000095566754 563183579 /nfs/dbraw/zinc/18/35/79/563183579.db2.gz DJQMXNJZZVZSTJ-UHFFFAOYSA-N 0 0 431.805 7.006 3 0 IKAFRN COc1ccc(Cc2c(-c3ccc(C)cc3)nc3cc(C)c(Br)c(C)n32)c(C)c1 ZINC000095566797 563183672 /nfs/dbraw/zinc/18/36/72/563183672.db2.gz MXFVBIXQKWUXKU-UHFFFAOYSA-N 0 0 449.392 6.597 3 0 IKAFRN Fc1cccc(Cc2c(-c3ccc(Cl)cc3)nc3c(Cl)cc(C(F)(F)F)cn23)c1 ZINC000095567431 563183752 /nfs/dbraw/zinc/18/37/52/563183752.db2.gz AUFZNNQYDPKCJO-UHFFFAOYSA-N 0 0 439.239 7.057 3 0 IKAFRN Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccccc1 ZINC000095567970 563183824 /nfs/dbraw/zinc/18/38/24/563183824.db2.gz AERCGEFCENYSNO-UHFFFAOYSA-N 0 0 429.907 5.078 3 0 IKAFRN Fc1ccc(CCn2c(Cn3c4ccccc4nc3-c3cnccn3)nc3ccccc32)cc1 ZINC000095568166 563183848 /nfs/dbraw/zinc/18/38/48/563183848.db2.gz LUGILFSMNCGSQH-UHFFFAOYSA-N 0 0 448.505 5.273 3 0 IKAFRN Cn1c2ccc(-c3ccc4[nH]ccc4c3)cc2c(Sc2ccccc2)c1-c1ccccc1 ZINC000095569686 563184156 /nfs/dbraw/zinc/18/41/56/563184156.db2.gz ZTMZCBLMXOEWIL-UHFFFAOYSA-N 0 0 430.576 8.145 3 0 IKAFRN COC(=O)c1ccc2nc(-c3cccc(Br)c3)c(CC3CCCCC3)n2c1 ZINC000095569567 563184166 /nfs/dbraw/zinc/18/41/66/563184166.db2.gz MRIJOVWMAHOPOS-UHFFFAOYSA-N 0 0 427.342 5.673 3 0 IKAFRN CC(=O)C[C@H]1c2cc(F)ccc2C=C(c2ccsc2)N1c1ccc(-c2cccnc2)cc1 ZINC000095570422 563184341 /nfs/dbraw/zinc/18/43/41/563184341.db2.gz OVUBBCNDZOLSKL-MHZLTWQESA-N 0 0 440.543 6.988 3 0 IKAFRN O=C(c1ccccc1)N(CCCn1ccnc1)[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000095570957 563184422 /nfs/dbraw/zinc/18/44/22/563184422.db2.gz XRQPKOPDTHLLNO-VWLOTQADSA-N 0 0 435.531 5.082 3 0 IKAFRN Cc1cnc(-c2nc3ccccc3n2[C@H](C(=O)NC(C)(C)C)c2cc3ccccc3o2)cn1 ZINC000095571269 563184514 /nfs/dbraw/zinc/18/45/14/563184514.db2.gz RTVKKGHLLNBMBX-QHCPKHFHSA-N 0 0 439.519 5.052 3 0 IKAFRN COc1cc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)ncc1-n1cnc(C)c1 ZINC000095572129 563184668 /nfs/dbraw/zinc/18/46/68/563184668.db2.gz HZBCNIXRPWTDIM-UHFFFAOYSA-N 0 0 428.471 5.021 1 0 IKAFRN Cc1c(-c2nnc(-c3ccccc3)o2)sc2ncnc(Nc3ccc(F)c(Cl)c3)c12 ZINC000095571893 563184711 /nfs/dbraw/zinc/18/47/11/563184711.db2.gz HUOHUDOOMMOQNT-UHFFFAOYSA-N 0 0 437.887 6.253 1 0 IKAFRN COC(=O)c1cccc(NC(=O)CCOc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000095572755 563184894 /nfs/dbraw/zinc/18/48/94/563184894.db2.gz DCWZGVZXOAEXSK-UHFFFAOYSA-N 0 0 433.548 5.349 1 0 IKAFRN CCCN1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc21 ZINC000095573253 563185012 /nfs/dbraw/zinc/18/50/12/563185012.db2.gz KPYYZMLWXHSKDH-UHFFFAOYSA-N 0 0 442.346 6.058 1 0 IKAFRN CC(C)(C)c1ccc(C(=O)Nc2cc(Nc3ccc4c(c3)CCCCC4=O)ccc2F)cc1 ZINC000095573946 563185242 /nfs/dbraw/zinc/18/52/42/563185242.db2.gz HWYSYZLDBKHUKX-UHFFFAOYSA-N 0 0 444.550 7.028 1 0 IKAFRN CCN(CC)c1ccc(COC)c2nc(-c3c(OC)cc(COC)cc3OC)c(C)cc12 ZINC000095574302 563185272 /nfs/dbraw/zinc/18/52/72/563185272.db2.gz IUEFHKRYAQAOIK-UHFFFAOYSA-N 0 0 438.568 5.366 1 0 IKAFRN CC(=O)N[C@@H](CC(C)C)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000095574818 563185467 /nfs/dbraw/zinc/18/54/67/563185467.db2.gz KVVOUURXKOZNPC-QHCPKHFHSA-N 0 0 435.499 5.169 1 0 IKAFRN Fc1ccc(C2CCN(c3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1 ZINC000095575871 563185837 /nfs/dbraw/zinc/18/58/37/563185837.db2.gz OYQKQASXFZFMKT-UHFFFAOYSA-N 0 0 436.428 5.363 1 0 IKAFRN COC(=O)c1ccc(NC(=O)/C=C/Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000095576406 563185948 /nfs/dbraw/zinc/18/59/48/563185948.db2.gz NHVXMQGORPWPPY-ZHACJKMWSA-N 0 0 431.532 5.472 1 0 IKAFRN CCC[C@@H](C(=O)OCC)N1C(=O)CC[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000095577021 563186094 /nfs/dbraw/zinc/18/60/94/563186094.db2.gz BOIQYIAUPQAVTN-FUPPJEDESA-N 0 0 448.390 6.173 1 0 IKAFRN O=C1c2ccc(OCc3cccc(-c4ccc(Cl)cc4F)c3)cc2CN1C1CCCC1 ZINC000095577656 563186352 /nfs/dbraw/zinc/18/63/52/563186352.db2.gz HAOGXXJUFZGYJP-UHFFFAOYSA-N 0 0 435.926 6.624 1 0 IKAFRN O=C(N[C@H]1CCN(CCSc2cccc(Cl)c2Cl)C1)c1ccc2ccccc2n1 ZINC000095577844 563186484 /nfs/dbraw/zinc/18/64/84/563186484.db2.gz FUOKCOLCLIHXST-INIZCTEOSA-N 0 0 446.403 5.138 1 0 IKAFRN O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OC3CCOCC3)cc21 ZINC000095578296 563186628 /nfs/dbraw/zinc/18/66/28/563186628.db2.gz QTWBAWAPDYWZAH-UHFFFAOYSA-N 0 0 435.470 5.596 1 0 IKAFRN COc1cc(/C=C2\OC(C)(C)CN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000095578893 563186865 /nfs/dbraw/zinc/18/68/65/563186865.db2.gz CJFOXKHAYNLQIB-DNNAEVNTSA-N 0 0 449.526 5.068 1 0 IKAFRN O=C(Nc1cccc(Nc2ccc3c(c2)OCc2ccccc2C3=O)c1)c1cccc(F)c1 ZINC000095579260 563187006 /nfs/dbraw/zinc/18/70/06/563187006.db2.gz WKZNDMUMEGVMMX-UHFFFAOYSA-N 0 0 438.458 5.945 1 0 IKAFRN COc1cc(/C=C2\CCCN3C2=NOC[C@@]3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000095579872 563187165 /nfs/dbraw/zinc/18/71/65/563187165.db2.gz GKXRXBPNFZXEEM-DKGRHVEHSA-N 0 0 446.526 5.067 1 0 IKAFRN Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1-c1nc(-c2ccccc2)c[nH]1 ZINC000095580071 563187194 /nfs/dbraw/zinc/18/71/94/563187194.db2.gz KYWZXFGBEZZQSA-UHFFFAOYSA-N 0 0 438.531 5.141 1 0 IKAFRN Brc1cc(-c2nnc(/C=C/C3=COc4ccccc4C3)o2)[nH]c1Br ZINC000095580480 563187265 /nfs/dbraw/zinc/18/72/65/563187265.db2.gz HLQQIHMOHIRUSP-AATRIKPKSA-N 0 0 449.102 5.122 1 0 IKAFRN FC(F)(F)c1cc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)ccc1Cl ZINC000095580454 563187275 /nfs/dbraw/zinc/18/72/75/563187275.db2.gz IEIRGUKKLCLATB-UHFFFAOYSA-N 0 0 432.833 5.917 1 0 IKAFRN COc1ccc(-c2ccc([C@@H]3N(C)c4ccccc4C(=O)N3c3ccccc3)s2)cc1 ZINC000095581329 563187570 /nfs/dbraw/zinc/18/75/70/563187570.db2.gz RKXKWJKRDVTYIU-RUZDIDTESA-N 0 0 426.541 6.219 1 0 IKAFRN CCCCCCOCCCCCCCCc1cc2cn([C@@H]3CC[C@H](CO)O3)c(=O)nc2o1 ZINC000095581955 563187820 /nfs/dbraw/zinc/18/78/20/563187820.db2.gz LZZDNCIZXBKHSF-PKTZIBPZSA-N 0 0 448.604 5.139 1 0 IKAFRN CCc1cc(F)c(Cc2cnc(Nc3ccc(Oc4cccnc4)c(Cl)c3)o2)c(F)c1 ZINC000095583691 563188441 /nfs/dbraw/zinc/18/84/41/563188441.db2.gz OUNRTSQYVQGCJG-UHFFFAOYSA-N 0 0 441.865 6.690 1 0 IKAFRN C[C@H]1CCCN(C(=O)C[C@H](c2ccc3c(c2)OCO3)c2cc(-c3ccccc3)ccc2O)C1 ZINC000095584619 563188625 /nfs/dbraw/zinc/18/86/25/563188625.db2.gz DRTVUSCCYGCTRX-WMZHIEFXSA-N 0 0 443.543 5.568 1 0 IKAFRN COc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1ccnc(NC2CCCCC2)n1 ZINC000095586467 563189185 /nfs/dbraw/zinc/18/91/85/563189185.db2.gz BLYQNHCDMISTOE-UHFFFAOYSA-N 0 0 449.558 6.389 1 0 IKAFRN CC[C@H]1CCCCN1C(=O)/C=C/c1c(/C=C/c2ccc(OC)cc2)cc(OC)cc1OC ZINC000095586437 563189202 /nfs/dbraw/zinc/18/92/02/563189202.db2.gz CALFSGSUDFWDAW-VUKRVBDZSA-N 0 0 435.564 5.687 1 0 IKAFRN Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC[C@H]1c1cccnc1 ZINC000095586486 563189277 /nfs/dbraw/zinc/18/92/77/563189277.db2.gz NWLPWXWFLGAKIV-KRWDZBQOSA-N 0 0 445.350 5.590 1 0 IKAFRN O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 ZINC000095589370 563189606 /nfs/dbraw/zinc/18/96/06/563189606.db2.gz BNDXORQTGUJRGY-UHFFFAOYSA-N 0 0 438.508 5.426 1 0 IKAFRN Oc1ccc(CC2=C(c3cc(O)cc(O)c3)[C@@H](c3ccccc3)c3c2cc(O)cc3O)cc1 ZINC000095589990 563189832 /nfs/dbraw/zinc/18/98/32/563189832.db2.gz BRSPDPNHIOSCIX-HHHXNRCGSA-N 0 0 438.479 5.514 1 0 IKAFRN COc1ccc([C@@H]2CC(/C=C/[C@H]3C(C)=CCCC3(C)C)=NN2c2ccccc2)cc1OC ZINC000095590684 563190062 /nfs/dbraw/zinc/19/00/62/563190062.db2.gz INOPVHOGYZEOKN-CNPKUOIJSA-N 0 0 430.592 6.950 1 0 IKAFRN COc1ccc([C@H]2CC(/C=C/[C@H]3C(C)=CCCC3(C)C)=NN2c2ccccc2)cc1OC ZINC000095590686 563190086 /nfs/dbraw/zinc/19/00/86/563190086.db2.gz INOPVHOGYZEOKN-HGMGIVORSA-N 0 0 430.592 6.950 1 0 IKAFRN COc1ccc([C@H]2CC(/C=C/[C@@H]3C(C)=CCCC3(C)C)=NN2c2ccccc2)cc1OC ZINC000095590685 563190103 /nfs/dbraw/zinc/19/01/03/563190103.db2.gz INOPVHOGYZEOKN-LJAHQNNKSA-N 0 0 430.592 6.950 1 0 IKAFRN CCOC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)nc2c1 ZINC000095592280 563190462 /nfs/dbraw/zinc/19/04/62/563190462.db2.gz IYHMWINMQKBNDE-UHFFFAOYSA-N 0 0 426.394 6.218 1 0 IKAFRN CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095594401 563191050 /nfs/dbraw/zinc/19/10/50/563191050.db2.gz UOZULKVJTOFNBL-OAQYLSRUSA-N 0 0 438.593 5.941 1 0 IKAFRN COc1ccc(Oc2c(Cl)cnn([C@@H](C(=O)c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000095594586 563191130 /nfs/dbraw/zinc/19/11/30/563191130.db2.gz TVRAQAGGKZTXDO-JOCHJYFZSA-N 0 0 446.890 5.170 1 0 IKAFRN O=C(Nc1ccc(Br)cc1)c1nnc(SC2CCCC2)n1-c1ccccc1 ZINC000095595362 563191326 /nfs/dbraw/zinc/19/13/26/563191326.db2.gz GVRHQRWFMAPAMN-UHFFFAOYSA-N 0 0 443.370 5.317 1 0 IKAFRN COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000095595633 563191373 /nfs/dbraw/zinc/19/13/73/563191373.db2.gz XIGIXCCQNSKJLO-DHZHZOJOSA-N 0 0 432.560 6.856 1 0 IKAFRN COc1cc(Sc2c3ccccc3[nH]c2-c2cc3ccccc3s2)cc(OC)c1OC ZINC000095595724 563191382 /nfs/dbraw/zinc/19/13/82/563191382.db2.gz OKGYJMIPULBDJQ-UHFFFAOYSA-N 0 0 447.581 7.227 1 0 IKAFRN Clc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000095595776 563191391 /nfs/dbraw/zinc/19/13/91/563191391.db2.gz HRCMMCKHIBKIGN-DHLKQENFSA-N 0 0 441.987 6.992 1 0 IKAFRN COc1cc(Sc2c3ccccc3[nH]c2-c2ccc3ncccc3c2)cc(OC)c1OC ZINC000095596201 563191442 /nfs/dbraw/zinc/19/14/42/563191442.db2.gz RCGKGVABZNDRIR-UHFFFAOYSA-N 0 0 442.540 6.560 1 0 IKAFRN Cc1ccoc1C(=O)N(c1ccc(C(C)(C)C)cc1)[C@@H](C(=O)NC(C)(C)C)c1cccnc1 ZINC000095596089 563191446 /nfs/dbraw/zinc/19/14/46/563191446.db2.gz OTCQBNDSWCQTCE-JOCHJYFZSA-N 0 0 447.579 5.583 1 0 IKAFRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2ccco2)c2ccc(C(C)(C)C)cc2)cn1 ZINC000095596876 563191684 /nfs/dbraw/zinc/19/16/84/563191684.db2.gz RUIWMZIUTNWOQX-QHCPKHFHSA-N 0 0 447.579 5.583 1 0 IKAFRN O=c1c2ccccc2sn1[C@H](CCc1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000095596862 563191686 /nfs/dbraw/zinc/19/16/86/563191686.db2.gz YHNAIKGRBDASLP-HXUWFJFHSA-N 0 0 447.947 5.989 1 0 IKAFRN CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccccn1)c1ccc(C(C)(C)C)cc1 ZINC000095597583 563191870 /nfs/dbraw/zinc/19/18/70/563191870.db2.gz APKRQLGECSUUOZ-HSZRJFAPSA-N 0 0 444.579 5.077 1 0 IKAFRN COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000095597453 563191881 /nfs/dbraw/zinc/19/18/81/563191881.db2.gz XEQYFXLFTUREFS-JYFHCDHNSA-N 0 0 437.568 6.347 1 0 IKAFRN Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc3ccccc32)c1C(=O)NCc1ccccc1 ZINC000095599440 563192428 /nfs/dbraw/zinc/19/24/28/563192428.db2.gz VLOLCDPEUPLGFI-UHFFFAOYSA-N 0 0 445.522 5.578 3 0 IKAFRN CSCC[C@H](C(=O)Nc1c(C)cccc1C)n1c2ccccc2nc1-c1cnc(C)cn1 ZINC000095599313 563192430 /nfs/dbraw/zinc/19/24/30/563192430.db2.gz QNKGBTRWSKNPEJ-JOCHJYFZSA-N 0 0 445.592 5.351 3 0 IKAFRN CC(C)(C)C(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccccc1Br ZINC000095600583 563192644 /nfs/dbraw/zinc/19/26/44/563192644.db2.gz FAJPNNIHLGBZQR-UHFFFAOYSA-N 0 0 425.326 5.486 3 0 IKAFRN Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc21)N(C)Cc1ccccc1 ZINC000095600923 563192711 /nfs/dbraw/zinc/19/27/11/563192711.db2.gz PESPCUGPWGZMLC-SANMLTNESA-N 0 0 434.547 5.049 3 0 IKAFRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(-c3ccccn3)nc2c1 ZINC000095601028 563192730 /nfs/dbraw/zinc/19/27/30/563192730.db2.gz BOKHENFMKIHRHD-LBPRGKRZSA-N 0 0 428.275 5.603 1 0 IKAFRN Cc1ccc2[nH]c(-c3ccccc3)c([C@H]3C=C(c4ccccc4)Oc4nc[nH]c(=O)c43)c2c1 ZINC000095601442 563192792 /nfs/dbraw/zinc/19/27/92/563192792.db2.gz YUAJVHOYDVUMOL-OAQYLSRUSA-N 0 0 431.495 5.792 1 0 IKAFRN O=C(Nc1ccc(-n2ncc3ccccc32)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000095601470 563192809 /nfs/dbraw/zinc/19/28/09/563192809.db2.gz RODLQZULCJZILG-UHFFFAOYSA-N 0 0 430.817 6.342 1 0 IKAFRN Cc1ccc2[nH]c(-c3ccccc3)c([C@@H]3C=C(c4ccccc4)Oc4nc[nH]c(=O)c43)c2c1 ZINC000095601441 563192827 /nfs/dbraw/zinc/19/28/27/563192827.db2.gz YUAJVHOYDVUMOL-NRFANRHFSA-N 0 0 431.495 5.792 1 0 IKAFRN C[C@H](C(=O)NCc1ccccc1)n1c(CSCCOc2ccccc2)nc2ccccc21 ZINC000095601984 563193053 /nfs/dbraw/zinc/19/30/53/563193053.db2.gz VEXGKHOFDXJQKQ-HXUWFJFHSA-N 0 0 445.588 5.226 3 0 IKAFRN O=C([C@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccccn1 ZINC000095602106 563193087 /nfs/dbraw/zinc/19/30/87/563193087.db2.gz IGOIUKBPLOVGEE-FGZHOGPDSA-N 0 0 443.444 5.756 1 0 IKAFRN COC(=O)c1cccc(-c2ccc(CSc3nc(C(C)C)nc4ccccc43)cc2)c1 ZINC000095603215 563193365 /nfs/dbraw/zinc/19/33/65/563193365.db2.gz WUVRPSBKDPWZPK-UHFFFAOYSA-N 0 0 428.557 6.499 1 0 IKAFRN CC(=O)C[C@H]1c2ccccc2C=C(c2ccsc2)N1c1ccc(-c2cccs2)cc1 ZINC000095603743 563193559 /nfs/dbraw/zinc/19/35/59/563193559.db2.gz JFRIUFWVGUMJRE-VWLOTQADSA-N 0 0 427.594 7.515 3 0 IKAFRN Nc1[nH]nc2c1[C@H](c1c3ccccc3[nH]c1-c1ccccc1)C=C(c1ccc(Cl)cc1)O2 ZINC000095604176 563193629 /nfs/dbraw/zinc/19/36/29/563193629.db2.gz PEMGENNXUMJEQH-IBGZPJMESA-N 0 0 438.918 6.359 1 0 IKAFRN O=C([C@H](Nc1ccccc1F)c1cc2ccccc2s1)N1CCC[C@H]1c1ccccc1F ZINC000095604684 563193814 /nfs/dbraw/zinc/19/38/14/563193814.db2.gz KDMNOLXIKGBQOY-WIOPSUGQSA-N 0 0 448.538 6.696 1 0 IKAFRN C[C@@H](c1nc2ccccc2n1Cc1ccccc1)n1c2ccccc2nc1-c1cnccn1 ZINC000095604910 563193819 /nfs/dbraw/zinc/19/38/19/563193819.db2.gz CUFQFYZCBZEYML-IBGZPJMESA-N 0 0 430.515 5.501 3 0 IKAFRN O=C(Nc1cccc(-c2nc3ncnc(Nc4ccc(F)cc4)c3[nH]2)c1)c1ccccc1F ZINC000095604702 563193826 /nfs/dbraw/zinc/19/38/26/563193826.db2.gz UQPCKMGBPRSDNF-UHFFFAOYSA-N 0 0 442.429 5.294 1 0 IKAFRN O=C1C[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CCN1 ZINC000095605044 563193902 /nfs/dbraw/zinc/19/39/02/563193902.db2.gz HBDJTAXFKXXUNZ-LJQANCHMSA-N 0 0 431.376 5.089 1 0 IKAFRN CC1(C)OC(=O)C2=C(C[C@@H](CCc3ccccc3)O[C@H]2CCc2cccc(Cl)c2)O1 ZINC000095605401 563193973 /nfs/dbraw/zinc/19/39/73/563193973.db2.gz NLDCJTFPZKEVRL-RTWAWAEBSA-N 0 0 426.940 5.627 3 0 IKAFRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2nc(-c3ccncc3)oc2c1 ZINC000095605552 563194052 /nfs/dbraw/zinc/19/40/52/563194052.db2.gz YUFRXADFMZVJFT-LBPRGKRZSA-N 0 0 428.275 5.603 1 0 IKAFRN CC(C)OC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC000095665447 563194319 /nfs/dbraw/zinc/19/43/19/563194319.db2.gz XSCBAUNBSITGFU-UHFFFAOYSA-N 0 0 431.960 5.049 1 0 IKAFRN CC(C)(C)OC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC000095665433 563194337 /nfs/dbraw/zinc/19/43/37/563194337.db2.gz MOVCEQJKJVEWQF-UHFFFAOYSA-N 0 0 445.987 5.439 1 0 IKAFRN FC(F)(F)c1cc(Br)cc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000095755479 563194502 /nfs/dbraw/zinc/19/45/02/563194502.db2.gz GIQDYWGEMOCDSN-UHFFFAOYSA-N 0 0 438.203 5.397 1 0 IKAFRN Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4)cc3OC(F)(F)F)c12 ZINC000096168067 563195235 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562960537 /nfs/dbraw/zinc/96/05/37/562960537.db2.gz GZGQOEHHOLCDED-UHFFFAOYSA-N 0 0 430.599 6.236 3 0 IKAFRN COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1 ZINC000008672307 562961093 /nfs/dbraw/zinc/96/10/93/562961093.db2.gz SRAOHJODOOJPGA-UHFFFAOYSA-N 0 0 446.941 5.826 3 0 IKAFRN O=C(Cc1cccs1)N(Cc1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccsc1 ZINC000008687124 562962876 /nfs/dbraw/zinc/96/28/76/562962876.db2.gz VMOPKNNGLSCSEB-QHCPKHFHSA-N 0 0 438.618 5.181 3 0 IKAFRN Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1-c1csc(Nc2cccc(F)c2)n1 ZINC000008691392 562963443 /nfs/dbraw/zinc/96/34/43/562963443.db2.gz NUFHEFXORUZMKX-UHFFFAOYSA-N 0 0 444.944 6.363 3 0 IKAFRN Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccc(Cl)cc2)n1 ZINC000008691390 562963475 /nfs/dbraw/zinc/96/34/75/562963475.db2.gz MWCNONFICGHCLB-UHFFFAOYSA-N 0 0 426.954 6.224 3 0 IKAFRN CCC[C@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3cc(Cl)ccc3C)n2)s1 ZINC000008691895 562963512 /nfs/dbraw/zinc/96/35/12/562963512.db2.gz BCHGWKSLRABHQC-LBPRGKRZSA-N 0 0 435.018 6.655 3 0 IKAFRN CCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(Cl)ccc3OC)n2)s1 ZINC000008691907 562963522 /nfs/dbraw/zinc/96/35/22/562963522.db2.gz QQDMHLYMJUVQNF-UHFFFAOYSA-N 0 0 436.990 6.109 3 0 IKAFRN COc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000008829207 562964612 /nfs/dbraw/zinc/96/46/12/562964612.db2.gz HQGSLGNBGZYIFD-UHFFFAOYSA-N 0 0 447.560 5.146 3 0 IKAFRN O=C(Nc1ccc(F)cc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433347 562970931 /nfs/dbraw/zinc/97/09/31/562970931.db2.gz XELRZKLHDKDYAD-GOTSBHOMSA-N 0 0 434.536 5.749 1 0 IKAFRN COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)cc1 ZINC000009433643 562971008 /nfs/dbraw/zinc/97/10/08/562971008.db2.gz DGVWBPFNDGANNQ-ZEQRLZLVSA-N 0 0 446.572 5.619 1 0 IKAFRN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2C(C)=O)c(F)c1 ZINC000011662957 562978971 /nfs/dbraw/zinc/97/89/71/562978971.db2.gz MVXVTEZBINHTOW-SANMLTNESA-N 0 0 442.490 5.306 3 0 IKAFRN Cc1c(C(=O)N2CCCC[C@@H]2c2cccnc2)sc2ncnc(NCc3cccs3)c12 ZINC000012027531 562980430 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IKAFRN COc1c(CC=C(C)C)cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)c(CC=C(C)C)c1O ZINC000013132756 562984995 /nfs/dbraw/zinc/98/49/95/562984995.db2.gz RYBGOKVPJPOMQW-JOCHJYFZSA-N 0 0 438.520 5.536 3 0 IKAFRN CCCN(CCC)c1nccn2c(N(CC)c3ccc(Cl)cc3Cl)nc(CC)c12 ZINC000013437367 562986042 /nfs/dbraw/zinc/98/60/42/562986042.db2.gz IFVXGJWSBLXKRB-UHFFFAOYSA-N 0 0 434.415 6.383 1 0 IKAFRN CC(=O)Nc1ccc(OC(=O)c2ccccc2Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000013438000 562986071 /nfs/dbraw/zinc/98/60/71/562986071.db2.gz HRSPAUUOMSITMQ-UHFFFAOYSA-N 0 0 429.303 6.223 1 0 IKAFRN CC(C)CCOc1cccc2oc(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)nc21 ZINC000013438205 562986084 /nfs/dbraw/zinc/98/60/84/562986084.db2.gz JKGRQELQDGWVBP-NRFANRHFSA-N 0 0 438.524 5.386 1 0 IKAFRN CC(C)SCC[C@@H](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 ZINC000013447450 562986998 /nfs/dbraw/zinc/98/69/98/562986998.db2.gz PYAWAWCFGDSSGC-LRACWDLYSA-N 0 0 446.785 8.264 1 0 IKAFRN O=[S@@](Cc1cc(OCc2cc(Cl)cc(Cl)c2)ccn1)c1nc2cscc2[nH]1 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/nfs/dbraw/zinc/98/82/31/562988231.db2.gz QCOQQJOVCOVBJH-DXEJGBPQSA-N 0 0 446.609 6.087 1 0 IKAFRN C[S@@](=O)c1ccc(CSc2ncc(-c3ccc(F)cc3)c(-c3cccnc3)n2)cc1 ZINC000013474282 562988666 /nfs/dbraw/zinc/98/86/66/562988666.db2.gz FOZSAJYPIOZILQ-PMERELPUSA-N 0 0 435.549 5.374 1 0 IKAFRN CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2[C@H]1O3 ZINC000013474844 562988776 /nfs/dbraw/zinc/98/87/76/562988776.db2.gz COXRSODPRFBGSM-XMMPIXPASA-N 0 0 436.577 5.468 1 0 IKAFRN CCCCCC[C@@H](O)CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000013475564 562988856 /nfs/dbraw/zinc/98/88/56/562988856.db2.gz BIXYRIHMTKCRJI-HSZRJFAPSA-N 0 0 435.649 6.249 1 0 IKAFRN CCCCCCC(=O)CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000013475567 562988893 /nfs/dbraw/zinc/98/88/93/562988893.db2.gz NOEHSOXICUQDMS-UHFFFAOYSA-N 0 0 433.633 6.458 1 0 IKAFRN Cc1cc2nc(CCN(Cc3cccnc3)C(=S)Nc3ccc(F)cc3)[nH]c2cc1C ZINC000013477537 562989097 /nfs/dbraw/zinc/98/90/97/562989097.db2.gz ZNERFEJCRFYHII-UHFFFAOYSA-N 0 0 433.556 5.156 3 0 IKAFRN CC[C@H](CCOC)n1c(COC)nc2c1nccc2-c1ccc(C(F)(F)F)cc1Cl ZINC000013479605 562989290 /nfs/dbraw/zinc/98/92/90/562989290.db2.gz UAMUNBPVIAWLPB-CQSZACIVSA-N 0 0 441.881 5.905 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000013487279 562989337 /nfs/dbraw/zinc/98/93/37/562989337.db2.gz TZBMVZXZXPBYCC-UHFFFAOYSA-N 0 0 445.323 5.837 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2cccc3ccccc32)cc1 ZINC000013487283 562989359 /nfs/dbraw/zinc/98/93/59/562989359.db2.gz YAFGADPAZOCEFD-UHFFFAOYSA-N 0 0 426.493 5.684 1 0 IKAFRN CSc1ncc(Cl)c(C(=O)Nc2ccc(C)cc2C(=O)Nc2ccc(Cl)cc2)n1 ZINC000013487515 562989449 /nfs/dbraw/zinc/98/94/49/562989449.db2.gz BIFUGRALHILHLS-UHFFFAOYSA-N 0 0 447.347 5.318 1 0 IKAFRN c1ccc(-c2ccc(N3CCc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)CCO4)nc2)nc1 ZINC000013487992 562989591 /nfs/dbraw/zinc/98/95/91/562989591.db2.gz WBTKLEFBLWJDCP-GDLZYMKVSA-N 0 0 444.538 5.712 1 0 IKAFRN Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccc(C(F)(F)F)cc3)c3ccc(C)cc32)cc1 ZINC000013490225 562990155 /nfs/dbraw/zinc/99/01/55/562990155.db2.gz NFDYGXNXYQNIOW-JPYJTQIMSA-N 0 0 438.493 6.914 1 0 IKAFRN CCCc1nc(-c2cccc(Nc3ncnc4cc(OCC)c(OCC)cc43)c2)cs1 ZINC000013490773 562990255 /nfs/dbraw/zinc/99/02/55/562990255.db2.gz BYXXNJRXKMTBJK-UHFFFAOYSA-N 0 0 434.565 6.247 1 0 IKAFRN CCOc1cc2nc(C(C)C)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490819 562990256 /nfs/dbraw/zinc/99/02/56/562990256.db2.gz QCCLOAGASFLPHC-UHFFFAOYSA-N 0 0 448.592 6.726 1 0 IKAFRN CC(C)Cc1cccc(CN(C[C@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490915 562990339 /nfs/dbraw/zinc/99/03/39/562990339.db2.gz PLHQHZARAHITPN-VWLOTQADSA-N 0 0 443.509 6.607 1 0 IKAFRN O[C@H](CN(Cc1cccc(C2CC2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490919 562990343 /nfs/dbraw/zinc/99/03/43/562990343.db2.gz KIBKXORMJPVXKP-XMMPIXPASA-N 0 0 427.466 6.286 1 0 IKAFRN CC(C)(O)c1cccc(CN(C[C@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490921 562990351 /nfs/dbraw/zinc/99/03/51/562990351.db2.gz OZYIHHXXMLAIJB-QHCPKHFHSA-N 0 0 445.481 5.636 1 0 IKAFRN CC(C)Oc1cccc(CN(C[C@@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490908 562990383 /nfs/dbraw/zinc/99/03/83/562990383.db2.gz ZGOIWKZKTOHHFF-XMMPIXPASA-N 0 0 445.481 6.196 1 0 IKAFRN Fc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cn2-c2ccc(F)cc2)cc1 ZINC000013491650 562990416 /nfs/dbraw/zinc/99/04/16/562990416.db2.gz OCPUMUSLGLBFKT-UHFFFAOYSA-N 0 0 430.502 5.140 1 0 IKAFRN Clc1ccc(N2CCN(Cc3cn(-c4ccccc4)c(-c4ccccc4)n3)CC2)cc1 ZINC000013491641 562990475 /nfs/dbraw/zinc/99/04/75/562990475.db2.gz VVXPDQWPTOGEHG-UHFFFAOYSA-N 0 0 428.967 5.515 1 0 IKAFRN CCOc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC000013491649 562990489 /nfs/dbraw/zinc/99/04/89/562990489.db2.gz VVYABMSSBXSXFF-UHFFFAOYSA-N 0 0 438.575 5.260 1 0 IKAFRN CC(=O)N(C)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F ZINC000013518719 562991108 /nfs/dbraw/zinc/99/11/08/562991108.db2.gz LMRDHVZYHUDQGW-UHFFFAOYSA-N 0 0 427.401 5.291 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)Cc1ccsc1 ZINC000013517614 562991137 /nfs/dbraw/zinc/99/11/37/562991137.db2.gz SRJYIYYIALICKM-NTNVCBRRSA-N 0 0 427.698 7.941 1 0 IKAFRN Cc1ccc(-c2c(-c3ccccc3)sc(N)c2C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000013518351 562991160 /nfs/dbraw/zinc/99/11/60/562991160.db2.gz ZUPIYUWYAIGHOJ-UHFFFAOYSA-N 0 0 445.587 7.871 1 0 IKAFRN C[S@](=O)c1ccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccnc(F)c3)[nH]2)cc1 ZINC000013524485 562991553 /nfs/dbraw/zinc/99/15/53/562991553.db2.gz OVGKZNZLNCRNCZ-SSEXGKCCSA-N 0 0 441.528 5.447 1 0 IKAFRN CC(C)(C)CNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)n[nH]c21 ZINC000013531361 562992017 /nfs/dbraw/zinc/99/20/17/562992017.db2.gz OOQBBAVUQUYUQX-UHFFFAOYSA-N 0 0 427.357 5.129 1 0 IKAFRN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CCc3ccccc32)cc1 ZINC000013534488 562992229 /nfs/dbraw/zinc/99/22/29/562992229.db2.gz HUUUZIMXRBOXTG-UHFFFAOYSA-N 0 0 432.523 6.324 1 0 IKAFRN CCCCN(CCSC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553436 562992892 /nfs/dbraw/zinc/99/28/92/562992892.db2.gz OCURVGWXYUOOHL-UHFFFAOYSA-N 0 0 437.440 6.220 1 0 IKAFRN O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccnc(F)c1)Cc1ccnc(F)c1 ZINC000013556082 562993087 /nfs/dbraw/zinc/99/30/87/562993087.db2.gz XDWYRVPKAPFGDJ-UHFFFAOYSA-N 0 0 427.454 5.156 1 0 IKAFRN COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000013557943 562993459 /nfs/dbraw/zinc/99/34/59/562993459.db2.gz LFQYDCXQGCTGCW-UHFFFAOYSA-N 0 0 438.483 5.992 1 0 IKAFRN CC(C)(C)c1cc(/C=C2/CCN(c3ccc(Cl)cc3)S2(=O)=O)cc(C(C)(C)C)c1O ZINC000013558285 562993591 /nfs/dbraw/zinc/99/35/91/562993591.db2.gz KYVQOTMVUACBCO-UYRXBGFRSA-N 0 0 448.028 6.222 1 0 IKAFRN CC=C1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H]1O ZINC000013558805 562993595 /nfs/dbraw/zinc/99/35/95/562993595.db2.gz SUUQQKHQTOSJCI-UTFUJGBOSA-N 0 0 430.673 6.095 1 0 IKAFRN CCCCCCN(CCCCCC)C(=O)C(=O)c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000013560056 562994076 /nfs/dbraw/zinc/99/40/76/562994076.db2.gz VGFVXBYVWBOHDQ-UHFFFAOYSA-N 0 0 446.635 7.315 1 0 IKAFRN CCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)c(=O)o2)cc1 ZINC000013581308 562994586 /nfs/dbraw/zinc/99/45/86/562994586.db2.gz XPNPOVQRZAWSCD-UHFFFAOYSA-N 0 0 446.524 5.443 1 0 IKAFRN CCCCCCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCCCCCC ZINC000013584622 562994927 /nfs/dbraw/zinc/99/49/27/562994927.db2.gz WDTZUMGRHADNGT-UHFFFAOYSA-N 0 0 438.564 7.084 1 0 IKAFRN Oc1ccc(-c2nn3c(nc(C(F)(F)F)cc3C(F)(F)F)c2-c2ccc(O)cc2)cc1 ZINC000013584998 562995011 /nfs/dbraw/zinc/99/50/11/562995011.db2.gz VEKHAWLAUFKERN-UHFFFAOYSA-N 0 0 439.315 5.512 1 0 IKAFRN Oc1ccc(-c2c(-c3cccc(O)c3)nn3c2nc(C(F)(F)F)cc3C(F)(F)F)cc1 ZINC000013585001 562995044 /nfs/dbraw/zinc/99/50/44/562995044.db2.gz MEKVMNPZSPSUTG-UHFFFAOYSA-N 0 0 439.315 5.512 1 0 IKAFRN O=C(Nc1ccc(-c2nc3cc(C(=O)NC4CCCCC4)ccc3[nH]2)cc1)c1ccccc1 ZINC000013586373 562995306 /nfs/dbraw/zinc/99/53/06/562995306.db2.gz BZKKAIQVIYKWDL-UHFFFAOYSA-N 0 0 438.531 5.545 1 0 IKAFRN CCN1c2ncc(CSc3ccnc(C)c3)cc2C(=O)Nc2c(C)cc(Cl)nc21 ZINC000013589471 562996373 /nfs/dbraw/zinc/99/63/73/562996373.db2.gz HPKRLZZAMUMBAN-UHFFFAOYSA-N 0 0 425.945 5.158 1 0 IKAFRN Cc1cn(CCCc2ccccc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000013589706 562996454 /nfs/dbraw/zinc/99/64/54/562996454.db2.gz WZZXQGHMUNKNST-UHFFFAOYSA-N 0 0 438.358 6.537 1 0 IKAFRN Cc1cn(Cc2csc(C)n2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000013589712 562996471 /nfs/dbraw/zinc/99/64/71/562996471.db2.gz PEGGCQCFFVKPAO-UHFFFAOYSA-N 0 0 431.348 5.717 1 0 IKAFRN Cc1cn(Cc2ccccc2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589721 562996494 /nfs/dbraw/zinc/99/64/94/562996494.db2.gz GTAREIVODMENMP-UHFFFAOYSA-N 0 0 426.303 5.191 1 0 IKAFRN CCCCN(C)C(=O)CCCCCS[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013601019 562996746 /nfs/dbraw/zinc/99/67/46/562996746.db2.gz IWNRXDASBQTUKA-DEOSSOPVSA-N 0 0 429.626 5.934 1 0 IKAFRN Cc1cc(NC(=O)C(=O)OCc2ccccc2)cc(C)c1Oc1ccc(O)c(C(C)C)c1 ZINC000013602418 562996973 /nfs/dbraw/zinc/99/69/73/562996973.db2.gz UHTHGQQXDMYMDC-UHFFFAOYSA-N 0 0 433.504 5.607 1 0 IKAFRN COCOc1c(-c2ccccc2)cccc1-c1ccc(C(=O)OC[C@H](C)CC(C)(C)C)cc1 ZINC000013603838 562997060 /nfs/dbraw/zinc/99/70/60/562997060.db2.gz XZCBWCFFMKCRKN-OAQYLSRUSA-N 0 0 446.587 7.232 1 0 IKAFRN O=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)NC1CCCCC1 ZINC000013607403 562997375 /nfs/dbraw/zinc/99/73/75/562997375.db2.gz COHJPHMQYOPHPC-UHFFFAOYSA-N 0 0 436.770 5.953 1 0 IKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c2cc1OC ZINC000013610068 562997691 /nfs/dbraw/zinc/99/76/91/562997691.db2.gz BVSYMJUCSKOBAS-UHFFFAOYSA-N 0 0 433.439 5.827 1 0 IKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(C)c4)cc3)c2cc1OC ZINC000013610090 562997695 /nfs/dbraw/zinc/99/76/95/562997695.db2.gz CJPNTWIJDMEPOG-UHFFFAOYSA-N 0 0 429.476 5.997 1 0 IKAFRN COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc43)cc2)cc1 ZINC000013610057 562997711 /nfs/dbraw/zinc/99/77/11/562997711.db2.gz UQLOTEZFDHTNMJ-UHFFFAOYSA-N 0 0 446.463 5.092 1 0 IKAFRN CCCC[C@H](c1ccc(F)cc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 ZINC000013610693 562997777 /nfs/dbraw/zinc/99/77/77/562997777.db2.gz SYBPBURKXDRONN-OAQYLSRUSA-N 0 0 444.982 6.431 1 0 IKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1OC ZINC000013610115 562997792 /nfs/dbraw/zinc/99/77/92/562997792.db2.gz RGAHTFBLOZYPNE-UHFFFAOYSA-N 0 0 449.894 6.342 1 0 IKAFRN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH]cc(C[NH+](C)C)c2c1 ZINC000013611714 562997849 /nfs/dbraw/zinc/99/78/49/562997849.db2.gz HEXLAVRQPAXCGQ-UHFFFAOYSA-N 0 0 433.986 5.207 1 0 IKAFRN Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 ZINC000013611858 562997939 /nfs/dbraw/zinc/99/79/39/562997939.db2.gz PIQKCFMGYGBVIK-UHFFFAOYSA-N 0 0 447.341 5.424 1 0 IKAFRN CCN(CC)C(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1C ZINC000013611895 562997951 /nfs/dbraw/zinc/99/79/51/562997951.db2.gz MVVWQUKKYBOCHH-UHFFFAOYSA-N 0 0 436.770 6.290 1 0 IKAFRN O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000013612719 562998052 /nfs/dbraw/zinc/99/80/52/562998052.db2.gz BKOKJBYJXSVYSS-UHFFFAOYSA-N 0 0 447.579 5.294 1 0 IKAFRN CN(C)c1ccc(C(=O)Nc2cncc(-c3cncc(Nc4cccc(Cl)c4)n3)c2)cc1 ZINC000013648391 562998796 /nfs/dbraw/zinc/99/87/96/562998796.db2.gz MKQUABVRXBYMTD-UHFFFAOYSA-N 0 0 444.926 5.254 1 0 IKAFRN COc1ccc2cc([C@H](C)C(=O)NC[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)ccc2c1 ZINC000013652322 562999316 /nfs/dbraw/zinc/99/93/16/562999316.db2.gz KFXVFPUPENWSFM-XDBZFTIUSA-N 0 0 447.575 5.483 1 0 IKAFRN CC(C)(C)c1ccc(C(=O)Nc2ccc(O)c3c(=O)cc(-c4cccc(Cl)c4)oc23)cc1 ZINC000013661142 562999687 /nfs/dbraw/zinc/99/96/87/562999687.db2.gz CPQKMQKBMFHBRX-UHFFFAOYSA-N 0 0 447.918 6.369 3 0 IKAFRN C[C@@H]1CC=C[C@@H]2[C@H](c3ccc(/C=C/c4ccccc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000013661853 562999778 /nfs/dbraw/zinc/99/97/78/562999778.db2.gz ABMDJMAZWAUPMF-WACQLOJESA-N 0 0 437.558 6.908 3 0 IKAFRN COc1ccc(-c2ccc(C)cc2)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013661863 562999779 /nfs/dbraw/zinc/99/97/79/562999779.db2.gz CTLHQYKQJVVDCO-YXXNYFEMSA-N 0 0 437.583 6.583 3 0 IKAFRN COc1ccc(Br)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013662003 562999787 /nfs/dbraw/zinc/99/97/87/562999787.db2.gz XIZWFWLMRNKXER-RWBNYIAVSA-N 0 0 426.354 5.370 3 0 IKAFRN COc1ccc(-c2ccc(F)cc2)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013661973 562999801 /nfs/dbraw/zinc/99/98/01/562999801.db2.gz LJUDQBSVMGSVLY-UOJXCGHASA-N 0 0 441.546 6.413 3 0 IKAFRN Cc1ccc(-c2cc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013662040 562999806 /nfs/dbraw/zinc/99/98/06/562999806.db2.gz KQNOSVLASOFLIV-MDZVADFISA-N 0 0 425.547 6.857 3 0 IKAFRN Cc1ccc(CNC(=O)c2ccc3c(c2)nc2scc(-c4ccc(C)cc4)n2c3=O)cc1 ZINC000013662279 562999898 /nfs/dbraw/zinc/99/98/98/562999898.db2.gz BARNPSMTSDGARI-UHFFFAOYSA-N 0 0 439.540 5.123 3 0 IKAFRN C[C@@H]1CC=C[C@@H]2[C@H](c3ccc4ccccc4c3Br)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000013662080 562999909 /nfs/dbraw/zinc/99/99/09/562999909.db2.gz GQOBBRUOMREMLT-PFFAGKLISA-N 0 0 446.388 6.514 3 0 IKAFRN O=C(Cc1cccc(Cl)c1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn21 ZINC000013672422 562999974 /nfs/dbraw/zinc/99/99/74/562999974.db2.gz VWMYDUILCRHRQR-UHFFFAOYSA-N 0 0 438.274 5.026 1 0 IKAFRN CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1Cc1ccccc1 ZINC000013672714 563000036 /nfs/dbraw/zinc/00/00/36/563000036.db2.gz TXGLGORYNPYGQS-SFHVURJKSA-N 0 0 437.374 6.512 1 0 IKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(C)cc2[C@@H](c2ccc(F)cc2)[C@H]1O ZINC000013672991 563000127 /nfs/dbraw/zinc/00/01/27/563000127.db2.gz LOKJHJLKGYGISU-DNQXCXABSA-N 0 0 432.601 5.781 1 0 IKAFRN CCCCC1(CCCC)CS(=O)(=O)c2cc(OC)ccc2[C@@H](c2ccccc2)[C@H]1O ZINC000013672982 563000160 /nfs/dbraw/zinc/00/01/60/563000160.db2.gz IONOEORPFWSGHD-DNQXCXABSA-N 0 0 430.610 5.342 1 0 IKAFRN CC[C@]1(c2ccc(COc3cccc(Cl)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675341 563000333 /nfs/dbraw/zinc/00/03/33/563000333.db2.gz TWHRAFICIVSMBQ-HHHXNRCGSA-N 0 0 443.930 6.590 1 0 IKAFRN CC[C@]1(c2ccc(COc3ccccc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675337 563000344 /nfs/dbraw/zinc/00/03/44/563000344.db2.gz BFPHQLQGXWTHSA-HHHXNRCGSA-N 0 0 443.930 6.590 1 0 IKAFRN CC[C@]1(c2ccc(CNc3cccc(F)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675349 563000346 /nfs/dbraw/zinc/00/03/46/563000346.db2.gz IBPBIJYTXQTRFZ-HHHXNRCGSA-N 0 0 426.491 6.109 1 0 IKAFRN COc1ccc(CCSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000013677572 563000608 /nfs/dbraw/zinc/00/06/08/563000608.db2.gz ORELRFFGBJCJFE-UHFFFAOYSA-N 0 0 435.376 5.319 1 0 IKAFRN C[C@]12CC3CC(NC(=O)c4cn(Cc5ccccc5)c5ccccc5c4=O)(C1)C[C@@](C)(C3)C2 ZINC000013678333 563000644 /nfs/dbraw/zinc/00/06/44/563000644.db2.gz PDDHHLKCLCQTPB-NCMSXQFYSA-N 0 0 440.587 5.529 1 0 IKAFRN O=c1cc(N2CCOCC2)oc2ccc(-c3cccc4c3Sc3ccccc3S4)cc12 ZINC000013677097 563000672 /nfs/dbraw/zinc/00/06/72/563000672.db2.gz NXGBJPCXFKHQKN-UHFFFAOYSA-N 0 0 445.565 5.912 1 0 in-vivo IKAFRN C[C@H](NC(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O)c1ccccc1 ZINC000013681899 563000953 /nfs/dbraw/zinc/00/09/53/563000953.db2.gz VYRBSTNFIWINRM-KYGAWKFCSA-N 0 0 431.576 5.311 1 0 IKAFRN CC1=CC(=O)O[C@@H](CSc2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)[nH]2)C1 ZINC000013730544 563001784 /nfs/dbraw/zinc/00/17/84/563001784.db2.gz ONRSNSXYNLHFMA-CQSZACIVSA-N 0 0 445.371 6.404 1 0 IKAFRN CCCc1nc2c(cc(C[NH+](C)C)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732092 563001918 /nfs/dbraw/zinc/00/19/18/563001918.db2.gz CAQRHLOFHNXARY-UHFFFAOYSA-N 0 0 441.575 5.772 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000013737171 563002526 /nfs/dbraw/zinc/00/25/26/563002526.db2.gz LVYCIMBNMCLJQE-VWLOTQADSA-N 0 0 443.591 6.226 1 0 IKAFRN Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2cccnc2Cl)CC1 ZINC000013738236 563002753 /nfs/dbraw/zinc/00/27/53/563002753.db2.gz PQIFGRSJIPGQGK-UHFFFAOYSA-N 0 0 436.386 5.980 1 0 IKAFRN COC(=O)c1ccc(C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000013741250 563003309 /nfs/dbraw/zinc/00/33/09/563003309.db2.gz PLRJNLJFUOQXEN-HHHXNRCGSA-N 0 0 449.550 5.705 1 0 IKAFRN CCCC(=O)c1cnc2c(Oc3ccnc(Cl)c3)cccc2c1Nc1ccccc1C ZINC000013742244 563003426 /nfs/dbraw/zinc/00/34/26/563003426.db2.gz ZYWFEUHUZBONQW-UHFFFAOYSA-N 0 0 431.923 7.110 1 0 IKAFRN Cc1ccccc1-c1c2ccccc2c(=O)n(C)c1C(=O)N(C)Cc1ccccc1Cl ZINC000013742628 563003498 /nfs/dbraw/zinc/00/34/98/563003498.db2.gz RAVSIXKQUPRXPP-UHFFFAOYSA-N 0 0 430.935 5.440 1 0 IKAFRN CCN(Cc1ccccc1OC)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C ZINC000013742626 563003512 /nfs/dbraw/zinc/00/35/12/563003512.db2.gz QSCPQKRZZYXKEC-UHFFFAOYSA-N 0 0 440.543 5.185 1 0 IKAFRN Cc1ccc2c(=O)ccoc2c1NC(=O)C(C)(C)CCCCCOc1ccc(Cl)cc1 ZINC000013742732 563003547 /nfs/dbraw/zinc/00/35/47/563003547.db2.gz IEOHTSIMBAEKFQ-UHFFFAOYSA-N 0 0 441.955 6.359 1 0 IKAFRN Cc1ccc2c(c1NC(=O)C(C)(C)CCCCCOc1ccc(Cl)cc1)OCCC2=O ZINC000013742720 563003550 /nfs/dbraw/zinc/00/35/50/563003550.db2.gz HUHYHXZOEBTZEP-UHFFFAOYSA-N 0 0 443.971 6.218 1 0 IKAFRN Cc1cc(C)c(NC(=O)C(C)(C)CCCCOc2ccc(Cl)cc2)c2c1CC(C)(C)O2 ZINC000013747638 563004268 /nfs/dbraw/zinc/00/42/68/563004268.db2.gz UDMBQDWSUIGFFF-UHFFFAOYSA-N 0 0 444.015 6.884 1 0 IKAFRN O=C(N[C@@H]1c2ccccc2CCC[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 ZINC000013755692 563004301 /nfs/dbraw/zinc/00/43/01/563004301.db2.gz GNVUISULKNXGJZ-PQHLKRTFSA-N 0 0 447.578 6.502 1 0 IKAFRN O=C(N[C@@H]1c2cccc(O)c2CC[C@@H]1c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000013755667 563004332 /nfs/dbraw/zinc/00/43/32/563004332.db2.gz HHUIOKBNOWGMED-GIGWZHCTSA-N 0 0 433.551 6.112 1 0 IKAFRN CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cc(Cl)cc(Cl)c2)cc1 ZINC000013762142 563005346 /nfs/dbraw/zinc/00/53/46/563005346.db2.gz MQWARLALXCOJKW-UHFFFAOYSA-N 0 0 435.254 5.268 1 0 IKAFRN COC(=O)[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1 ZINC000013762410 563005454 /nfs/dbraw/zinc/00/54/54/563005454.db2.gz ZSDYIUVQNWIAIS-HSZRJFAPSA-N 0 0 430.891 5.199 1 0 IKAFRN Clc1sccc1CO[C@@H]1c2cc(Br)ccc2S[C@@H]1Cn1ccnc1 ZINC000013775772 563005685 /nfs/dbraw/zinc/00/56/85/563005685.db2.gz ISIPTFMYNCJCQF-HZPDHXFCSA-N 0 0 441.803 5.793 1 0 IKAFRN Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1ccc(Cl)c(Cl)c1 ZINC000013775793 563005772 /nfs/dbraw/zinc/00/57/72/563005772.db2.gz RABCTYBZXGVXFS-RTBURBONSA-N 0 0 425.768 6.276 1 0 IKAFRN Clc1ccc2c(c1)S[C@@H](Cn1ccnc1)[C@@H]2OCc1ccc(Cl)cc1Cl ZINC000013775792 563005779 /nfs/dbraw/zinc/00/57/79/563005779.db2.gz GDQODJLFRNJZPE-RBUKOAKNSA-N 0 0 425.768 6.276 1 0 IKAFRN Clc1ccc2c(c1)[C@H](OCc1c(Cl)cccc1Cl)[C@H](Cn1ccnc1)S2 ZINC000013775785 563005810 /nfs/dbraw/zinc/00/58/10/563005810.db2.gz ZAALNFSOYYCKNV-OALUTQOASA-N 0 0 425.768 6.276 1 0 IKAFRN Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@H]2OCc1ccc(Cl)cc1Cl ZINC000013775789 563005833 /nfs/dbraw/zinc/00/58/33/563005833.db2.gz GDQODJLFRNJZPE-MOPGFXCFSA-N 0 0 425.768 6.276 1 0 IKAFRN Clc1ccc2c(c1)[C@H](OCc1ccc(Cl)cc1Cl)[C@H](Cn1ccnc1)S2 ZINC000013775783 563005837 /nfs/dbraw/zinc/00/58/37/563005837.db2.gz QUQDOQTVANCRAB-OALUTQOASA-N 0 0 425.768 6.276 1 0 IKAFRN FC(F)(F)c1cc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc32)cc(C(F)(F)F)c1 ZINC000013779316 563006145 /nfs/dbraw/zinc/00/61/45/563006145.db2.gz ZOWMANBDCKOVCC-UHFFFAOYSA-N 0 0 447.593 7.082 1 0 IKAFRN CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCCCC3)c2)CC1 ZINC000013779650 563006241 /nfs/dbraw/zinc/00/62/41/563006241.db2.gz LAZZWNWLZKNZQI-UHFFFAOYSA-N 0 0 449.639 5.202 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3ccnn3C)cc2)C2CCCCCC2)c(C)c1 ZINC000013779980 563006307 /nfs/dbraw/zinc/00/63/07/563006307.db2.gz FCCFOWDZDUCFQT-UHFFFAOYSA-N 0 0 444.623 6.769 1 0 IKAFRN O=C(Nc1c(F)cc(F)cc1F)N(Cc1ccc(-n2cccc2)cc1)C1CCCCCC1 ZINC000013779969 563006327 /nfs/dbraw/zinc/00/63/27/563006327.db2.gz SFQNEDKFLSSTOV-UHFFFAOYSA-N 0 0 441.497 6.652 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3ccnn3C)c2)C2CCCCCC2)c(C)c1 ZINC000013779981 563006329 /nfs/dbraw/zinc/00/63/29/563006329.db2.gz PKGCLZQXBDMHFD-UHFFFAOYSA-N 0 0 444.623 6.769 1 0 IKAFRN COC(=O)CC[C@@]1(C)C(=O)C[C@H](C)[C@H]2[C@@H]3CC[C@@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]21 ZINC000013781889 563006717 /nfs/dbraw/zinc/00/67/17/563006717.db2.gz XFCVTFKDDBKWIC-FQGZIRHSSA-N 0 0 432.689 7.076 1 0 IKAFRN CCCC[C@H](CC)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794766 563007119 /nfs/dbraw/zinc/00/71/19/563007119.db2.gz URKVGMJFEGLMIB-INIZCTEOSA-N 0 0 445.409 5.786 1 0 IKAFRN CCC[C@@H](CC)Nc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794853 563007201 /nfs/dbraw/zinc/00/72/01/563007201.db2.gz NETDPOYYGYQJTL-MRXNPFEDSA-N 0 0 430.394 6.000 1 0 IKAFRN CCCCN(CC)c1nc(C)nc2c1nc(C)n2-c1ccc(C(C)C)cc1Br ZINC000013794875 563007210 /nfs/dbraw/zinc/00/72/10/563007210.db2.gz XMBUSLAAFNHEDA-UHFFFAOYSA-N 0 0 444.421 5.945 1 0 IKAFRN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000013795604 563007314 /nfs/dbraw/zinc/00/73/14/563007314.db2.gz PQPGIXLRLWOMKC-NDEPHWFRSA-N 0 0 428.535 6.616 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cnccc3C)c1)CC2 ZINC000013806120 563008438 /nfs/dbraw/zinc/00/84/38/563008438.db2.gz CNYCTYLQOYVVNS-UHFFFAOYSA-N 0 0 428.414 5.074 1 0 IKAFRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1-c1ccccc1 ZINC000013814657 563009187 /nfs/dbraw/zinc/00/91/87/563009187.db2.gz BFANKIPRJRXYSS-UHFFFAOYSA-N 0 0 445.750 6.087 1 0 IKAFRN CCOC(=O)c1ccc(-c2cccc(-c3cc(=O)oc4cc(OC)cc(OC)c43)c2)cc1 ZINC000013814159 563009196 /nfs/dbraw/zinc/00/91/96/563009196.db2.gz UEYHPIJGJQUMIW-UHFFFAOYSA-N 0 0 430.456 5.321 3 0 aggregator IKAFRN O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(Br)c1 ZINC000013821514 563010061 /nfs/dbraw/zinc/01/00/61/563010061.db2.gz UNMPPPGEZMOFAY-UHFFFAOYSA-N 0 0 444.332 5.415 1 0 IKAFRN CCCC/C=C/[C@H](C)[C@@](C)(COC(=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000013828819 563010872 /nfs/dbraw/zinc/01/08/72/563010872.db2.gz GOFDNNKPFWCGPY-RACCTTRGSA-N 0 0 443.425 7.237 1 0 IKAFRN CCCCCNC(=O)Nc1c(NC)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827624 563010702 /nfs/dbraw/zinc/01/07/02/563010702.db2.gz OYJATRYNSJBDHY-UHFFFAOYSA-N 0 0 449.599 5.681 1 0 IKAFRN CCCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827680 563010705 /nfs/dbraw/zinc/01/07/05/563010705.db2.gz RKJGLNYXQFDUSX-UHFFFAOYSA-N 0 0 448.611 6.338 1 0 IKAFRN CCCCCNC(=O)Nc1c(OCCn2cnc(-c3ccccc3)c2)cccc1N(C)C ZINC000013827553 563010707 /nfs/dbraw/zinc/01/07/07/563010707.db2.gz WEPJCYOFKWLPHG-UHFFFAOYSA-N 0 0 435.572 5.007 1 0 IKAFRN CCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C ZINC000013827518 563010711 /nfs/dbraw/zinc/01/07/11/563010711.db2.gz PPXVURQJPIDTTG-UHFFFAOYSA-N 0 0 435.572 5.007 1 0 IKAFRN CCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1C(C)C ZINC000013827818 563010762 /nfs/dbraw/zinc/01/07/62/563010762.db2.gz WUUHIJKNNRVBCV-UHFFFAOYSA-N 0 0 448.611 6.373 1 0 IKAFRN CCCCc1nc2cc(Cl)ccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828031 563010791 /nfs/dbraw/zinc/01/07/91/563010791.db2.gz XZUFBTOCSLJFCW-UHFFFAOYSA-N 0 0 442.954 5.928 1 0 IKAFRN CCc1c(-c2ccccc2)ncn1CCCOc1cccc(C)c1NC(=O)NCCC(C)C ZINC000013827829 563010832 /nfs/dbraw/zinc/01/08/32/563010832.db2.gz JFFJPGREVWZSDU-UHFFFAOYSA-N 0 0 448.611 6.058 1 0 IKAFRN COc1ccc(-c2cc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830488 563011034 /nfs/dbraw/zinc/01/10/34/563011034.db2.gz LBTCHHGRAPTJFO-BOSLPAGOSA-N 0 0 441.546 6.557 1 0 IKAFRN Cc1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830449 563011040 /nfs/dbraw/zinc/01/10/40/563011040.db2.gz YSRZWGRSLGAGHJ-BOSLPAGOSA-N 0 0 425.547 6.857 1 0 IKAFRN C[C@]12CCC=C[C@H]1[C@@H](c1ccc3ccccc3c1Br)N(Cc1ccccc1)C2=O ZINC000013830397 563011044 /nfs/dbraw/zinc/01/10/44/563011044.db2.gz MKUQHWSYDVIMFL-FBILRYNDSA-N 0 0 446.388 6.658 1 0 IKAFRN Cc1ccc(-c2cc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830910 563011146 /nfs/dbraw/zinc/01/11/46/563011146.db2.gz KQNOSVLASOFLIV-BOSLPAGOSA-N 0 0 425.547 6.857 1 0 IKAFRN Nc1nc2[nH]c(Cc3ccc(Cl)cc3)cc2c(Nc2cccc(Br)c2)n1 ZINC000013859508 563012356 /nfs/dbraw/zinc/01/23/56/563012356.db2.gz YHWUBFBUCSKQSU-UHFFFAOYSA-N 0 0 428.721 5.290 1 0 IKAFRN COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC1CCCC1 ZINC000013863460 563013307 /nfs/dbraw/zinc/01/33/07/563013307.db2.gz VQMKXNJTGPRWCC-XZOQPEGZSA-N 0 0 436.596 5.868 1 0 IKAFRN Cc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(=O)c2ccccc2)cc1 ZINC000013864040 563013427 /nfs/dbraw/zinc/01/34/27/563013427.db2.gz UORYEOUFLACLBH-UHFFFAOYSA-N 0 0 448.522 5.660 1 0 IKAFRN Cc1cc(Cl)ccc1Sc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 ZINC000013864346 563013546 /nfs/dbraw/zinc/01/35/46/563013546.db2.gz RASGAWVMUIIYGF-UHFFFAOYSA-N 0 0 448.762 6.176 1 0 IKAFRN Cc1cc(=O)c(Oc2ccc(Br)cc2F)c(-c2ccc([S@](C)=O)cc2)o1 ZINC000013977525 563014096 /nfs/dbraw/zinc/01/40/96/563014096.db2.gz RZDNFEBTJXOTQW-AREMUKBSSA-N 0 0 437.286 5.047 1 0 IKAFRN COc1cccc(C(=O)N2CCCC2)c1O[C@H](C)c1csc(-c2ccc(Cl)cc2)n1 ZINC000013981559 563014190 /nfs/dbraw/zinc/01/41/90/563014190.db2.gz JVEFYZADNCMYJH-OAHLLOKOSA-N 0 0 442.968 5.848 1 0 IKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1 ZINC000014945224 563015246 /nfs/dbraw/zinc/01/52/46/563015246.db2.gz CYWYPTQSOGGBKY-UHFFFAOYSA-N 0 0 425.410 5.568 1 0 IKAFRN CCCCc1ccc(C(=O)N2CCc3c4ccccc4n(Cc4ccc(O)cc4)c3C2)cc1 ZINC000014946242 563015428 /nfs/dbraw/zinc/01/54/28/563015428.db2.gz UPBDXKQXRMRMOL-UHFFFAOYSA-N 0 0 438.571 5.936 1 0 IKAFRN Cc1cc(Cl)c(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)s1 ZINC000014963652 563016275 /nfs/dbraw/zinc/01/62/75/563016275.db2.gz BQBNVFZMPTVXJE-UHFFFAOYSA-N 0 0 439.751 6.521 1 0 IKAFRN COc1ccccc1-c1ccc2c(c1)C([C@H](C)OCCc1ccc(Cl)cc1)=CC(C)(C)N2 ZINC000014968858 563016451 /nfs/dbraw/zinc/01/64/51/563016451.db2.gz XYBAXMXTSMKKKQ-IBGZPJMESA-N 0 0 448.006 7.251 1 0 IKAFRN COc1ccccc1-c1ccc2c(c1)C([C@H](C)OCCCc1ccccc1)=CC(C)(C)N2 ZINC000014968826 563016468 /nfs/dbraw/zinc/01/64/68/563016468.db2.gz LQSQZDKLBRTUSD-NRFANRHFSA-N 0 0 427.588 6.988 1 0 IKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1cc2ccccc2s1 ZINC000014970182 563016569 /nfs/dbraw/zinc/01/65/69/563016569.db2.gz XKKUGGUSZYRUML-NYMACZPPSA-N 0 0 430.548 6.316 1 0 IKAFRN Cc1cccc(N(CCNC(=O)Nc2ccccc2Br)Cc2ccccc2)c1 ZINC000014973928 563016700 /nfs/dbraw/zinc/01/67/00/563016700.db2.gz GYEKVDBPXVZQTP-UHFFFAOYSA-N 0 0 438.369 5.586 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@H](c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000014973735 563016709 /nfs/dbraw/zinc/01/67/09/563016709.db2.gz LPUQNQGJQQQXDT-QFIPXVFZSA-N 0 0 427.470 6.697 1 0 IKAFRN Nc1noc2cccc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12 ZINC000014975395 563016794 /nfs/dbraw/zinc/01/67/94/563016794.db2.gz DHSKSBMVWDEGIA-UHFFFAOYSA-N 0 0 430.361 5.879 1 0 IKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)NC2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000014975704 563016906 /nfs/dbraw/zinc/01/69/06/563016906.db2.gz LUIAQRSHMYHZAQ-UHFFFAOYSA-N 0 0 445.394 5.958 1 0 IKAFRN CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C ZINC000014975797 563016917 /nfs/dbraw/zinc/01/69/17/563016917.db2.gz GWKGBPWEUPDTSJ-UHFFFAOYSA-N 0 0 445.603 6.512 1 0 IKAFRN COc1ccc2[nH]c(C(=O)N3CCC(n4c(CC(C)C)nc5ccccc54)CC3)cc2c1 ZINC000014976940 563017109 /nfs/dbraw/zinc/01/71/09/563017109.db2.gz YOKYFNIZXANDKH-UHFFFAOYSA-N 0 0 430.552 5.202 1 0 IKAFRN CCC/C=C(\CCC)C1=C(c2ccc3ccccc3c2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1 ZINC000014978527 563017162 /nfs/dbraw/zinc/01/71/62/563017162.db2.gz 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/nfs/dbraw/zinc/03/32/71/563033271.db2.gz DUCNJELHRZZKGR-NRFANRHFSA-N 0 0 428.507 5.890 1 0 IKAFRN COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1OC1CCCC1 ZINC000026574102 563033450 /nfs/dbraw/zinc/03/34/50/563033450.db2.gz VQMKXNJTGPRWCC-GOTSBHOMSA-N 0 0 436.596 5.868 1 0 IKAFRN Cc1oc(-c2ccc(Cl)cc2)nc1CCOc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000026576158 563033631 /nfs/dbraw/zinc/03/36/31/563033631.db2.gz CCEMUNLJLRJBSS-UNOMPAQXSA-N 0 0 440.908 5.249 1 0 IKAFRN CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000026576486 563033740 /nfs/dbraw/zinc/03/37/40/563033740.db2.gz JSKGXFZDJKIKGY-AREMUKBSSA-N 0 0 434.584 5.284 1 0 IKAFRN CCCC/C=C\C/C=C\CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000026577213 563033804 /nfs/dbraw/zinc/03/38/04/563033804.db2.gz YJBFWUHMTYPZKJ-HZJYTTRNSA-N 0 0 443.672 7.611 1 0 IKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C/C(=N\O)C4=C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000026579791 563034189 /nfs/dbraw/zinc/03/41/89/563034189.db2.gz 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CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)N(C)C)CC1 ZINC000026666950 563035220 /nfs/dbraw/zinc/03/52/20/563035220.db2.gz ZRJKLVGIKAJOHF-RTBURBONSA-N 0 0 442.644 5.431 1 0 IKAFRN CCCCCC(=O)O[C@H](Cc1ccccc1)CP(=O)(OCCCC)OCCCC ZINC000026674838 563035477 /nfs/dbraw/zinc/03/54/77/563035477.db2.gz QBTLEGMUJNLRHP-JOCHJYFZSA-N 0 0 426.534 6.548 1 0 IKAFRN O=C(NCCc1ccccc1)[C@@]1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 ZINC000026673635 563035478 /nfs/dbraw/zinc/03/54/78/563035478.db2.gz IDVYVVGIQIVDOX-JGCGQSQUSA-N 0 0 445.606 6.063 1 0 IKAFRN CCCCNC(=O)O[C@@H](CCc1ccccc1)CP(=O)(OCCCC)OCCCC ZINC000026721654 563035591 /nfs/dbraw/zinc/03/55/91/563035591.db2.gz CXLUCURZFMHRRN-QFIPXVFZSA-N 0 0 441.549 6.341 1 0 IKAFRN COC(=O)[C@@H]1CCC[C@@H](Nc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026725412 563035706 /nfs/dbraw/zinc/03/57/06/563035706.db2.gz OZKHHBXCZYWMMN-UYAOXDASSA-N 0 0 435.568 5.583 1 0 IKAFRN COC(=O)[C@H]1CCC[C@@H](Nc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026725416 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443.568 6.554 1 0 IKAFRN O=C(Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1)c1c(Cl)cccc1Cl ZINC000028394140 563054551 /nfs/dbraw/zinc/05/45/51/563054551.db2.gz SHXGFVDBWMZHGT-UHFFFAOYSA-N 0 0 448.375 6.374 1 0 IKAFRN Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000028394953 563054563 /nfs/dbraw/zinc/05/45/63/563054563.db2.gz SPYAHPCGCDDALM-UHFFFAOYSA-N 0 0 430.899 5.888 1 0 IKAFRN C[C@@](CO)(CCCCCC(=O)CCCCC[C@](C)(CO)c1ccccc1)c1ccccc1 ZINC000028457840 563054762 /nfs/dbraw/zinc/05/47/62/563054762.db2.gz RONGASBWZLDFPU-ISILISOKSA-N 0 0 438.652 6.357 1 0 IKAFRN COc1c([C@@H](O)CC(C)C)ccc2c1C(=O)Oc1cc(C)cc(OCC3CCCC3)c1O2 ZINC000028459604 563055009 /nfs/dbraw/zinc/05/50/09/563055009.db2.gz ZISUZKGXPUKYDF-IBGZPJMESA-N 0 0 440.536 5.977 1 0 IKAFRN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000028459458 563055014 /nfs/dbraw/zinc/05/50/14/563055014.db2.gz UDGCYCUPBCXPLW-UHFFFAOYSA-N 0 0 447.557 5.063 1 0 IKAFRN c1ccc(C2=C(c3ccc(OCCN4CCOCC4)cc3)c3ccccc3OCC2)cc1 ZINC000028461075 563055085 /nfs/dbraw/zinc/05/50/85/563055085.db2.gz ZQCZXXGPQMGPTR-UHFFFAOYSA-N 0 0 427.544 5.139 1 0 IKAFRN Cc1c(C(C)(C)C)nc2c(-c3ccc(O)cc3)c(-c3cccc(O)c3)nn2c1C(C)(C)C ZINC000028460732 563055112 /nfs/dbraw/zinc/05/51/12/563055112.db2.gz RAHYZYMMCUNKSE-UHFFFAOYSA-N 0 0 429.564 6.378 1 0 IKAFRN COc1c([C@H](O)CCC(C)C)ccc2c1C(=O)Oc1cc(C)cc(OCCC(C)C)c1O2 ZINC000028462422 563055211 /nfs/dbraw/zinc/05/52/11/563055211.db2.gz VNMSPVJMWDGYMJ-LJQANCHMSA-N 0 0 442.552 6.223 1 0 IKAFRN COc1c([C@@H](O)CC2CC2)ccc2c1C(=O)Oc1cc(C)cc(OCCC(C)C)c1O2 ZINC000028463632 563055220 /nfs/dbraw/zinc/05/52/20/563055220.db2.gz CXQZBEXRWHANFN-SFHVURJKSA-N 0 0 426.509 5.587 1 0 IKAFRN COc1c([C@@H](O)CC(C)(C)C)ccc2c1C(=O)Oc1cc(C)cc(OCCC(C)C)c1O2 ZINC000028467725 563055348 /nfs/dbraw/zinc/05/53/48/563055348.db2.gz ZNLXPUXVJIRZEU-SFHVURJKSA-N 0 0 442.552 6.223 1 0 IKAFRN COc1c([C@H](O)CC(C)C)ccc2c1C(=O)Oc1cc(C)cc(OCCC(C)C)c1O2 ZINC000028468340 563055360 /nfs/dbraw/zinc/05/53/60/563055360.db2.gz AFUNYIIIXDWWSE-GOSISDBHSA-N 0 0 428.525 5.833 1 0 IKAFRN CCCc1c2ccn(CC(C)C)c2ccc1OCCCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000028469224 563055446 /nfs/dbraw/zinc/05/54/46/563055446.db2.gz RESDFTYHVKYNOW-UHFFFAOYSA-N 0 0 447.583 5.668 1 0 IKAFRN CCn1cc(-c2cccc3ccccc32)c([C@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 ZINC000028468901 563055480 /nfs/dbraw/zinc/05/54/80/563055480.db2.gz OGUXNYIWVMPLKT-SANMLTNESA-N 0 0 446.381 7.469 1 0 IKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3cccc(C)c3)cc2)C(=O)C(C)C)c1 ZINC000028471376 563055571 /nfs/dbraw/zinc/05/55/71/563055571.db2.gz PXJPGZWPSSIJHH-DTQAZKPQSA-N 0 0 427.544 6.037 1 0 IKAFRN CCCn1cc(-c2ccc(Cl)cc2)c([C@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 ZINC000028473765 563055637 /nfs/dbraw/zinc/05/56/37/563055637.db2.gz GOIJKKQZIHTWJK-QHCPKHFHSA-N 0 0 444.793 7.360 1 0 IKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3ccccn3)cc2)C(=O)C(C)C)c1 ZINC000028473707 563055662 /nfs/dbraw/zinc/05/56/62/563055662.db2.gz PLLOUMRDXDSKRH-YXLFCKQPSA-N 0 0 440.543 5.627 1 0 IKAFRN C[C@@H](CCCOc1ccc(-c2ccc(Cl)cc2)cc1)CN1CCN(c2ccncc2)C1=O 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SGQYWCQDHLYFNM-KRWDZBQOSA-N 0 0 431.515 5.126 1 0 IKAFRN COC(=O)CCc1ccc(OCCCCOc2ccc(C(=O)CC(C)C)c(O)c2C)cc1 ZINC000028525527 563056741 /nfs/dbraw/zinc/05/67/41/563056741.db2.gz DEGADJDBPJFEPQ-UHFFFAOYSA-N 0 0 442.552 5.273 1 0 IKAFRN O=C(N[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1)c1ccc(-c2cccs2)cc1 ZINC000028529637 563057370 /nfs/dbraw/zinc/05/73/70/563057370.db2.gz CAXQUECQSWHONO-FQEVSTJZSA-N 0 0 430.495 5.438 1 0 IKAFRN O=C(Nc1ccc(-c2nc3cccnc3[nH]2)cc1)Nc1ccc(-c2nc3cccnc3[nH]2)cc1 ZINC000028563836 563057740 /nfs/dbraw/zinc/05/77/40/563057740.db2.gz MIUSTICZLRNBPA-UHFFFAOYSA-N 0 0 446.474 5.207 1 0 IKAFRN O=C(Nc1ccccc1)N1CCC(c2nccn2Cc2ccccc2)(c2ccccc2)CC1 ZINC000028566226 563058216 /nfs/dbraw/zinc/05/82/16/563058216.db2.gz SSXWGBNGZDJNOZ-UHFFFAOYSA-N 0 0 436.559 5.545 1 0 in-vivo IKAFRN FC(F)(F)c1cc(-c2ccc(-c3ccccc3)cc2)nn1-c1ccnc2cc(Cl)ccc21 ZINC000028568203 563058421 /nfs/dbraw/zinc/05/84/21/563058421.db2.gz KKVHRJIFUUZCSS-UHFFFAOYSA-N 0 0 449.863 7.427 1 0 IKAFRN O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2cnn1CC(F)(F)F ZINC000028568078 563058479 /nfs/dbraw/zinc/05/84/79/563058479.db2.gz BLFSFPLFARTKFQ-UHFFFAOYSA-N 0 0 439.224 5.118 1 0 IKAFRN CCC[C@H](O)c1cnc([C@H](C)CC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569223 563058677 /nfs/dbraw/zinc/05/86/77/563058677.db2.gz YPDHBJDSZAAURZ-WBMJQRKESA-N 0 0 438.412 5.532 1 0 IKAFRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000028569333 563058765 /nfs/dbraw/zinc/05/87/65/563058765.db2.gz OZIAZQBXQMKSLA-AYMDEYKRSA-N 0 0 446.716 6.111 1 0 in-vivo IKAFRN CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000028569336 563058795 /nfs/dbraw/zinc/05/87/95/563058795.db2.gz CIZGZRCBMJRIFK-WBOGVSQLSA-N 0 0 430.717 6.996 1 0 in-vivo IKAFRN CCOc1ccc(-n2c(C)c3c(c2C)c(NCc2cccc4[nH]ccc42)nnc3C)cc1 ZINC000028569414 563058935 /nfs/dbraw/zinc/05/89/35/563058935.db2.gz CWKLMQXUTGWQLY-UHFFFAOYSA-N 0 0 425.536 5.838 1 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/nfs/dbraw/zinc/05/93/85/563059385.db2.gz YNCBPGDLFXFYQN-UKWGHVSLSA-N 0 0 447.610 6.904 1 0 IKAFRN O=C(Cc1ccc(Cl)cc1)N1N=C(c2ccco2)C[C@H]1c1ccc(Br)cc1 ZINC000028572014 563059457 /nfs/dbraw/zinc/05/94/57/563059457.db2.gz QGUZIOXBCLTTES-IBGZPJMESA-N 0 0 443.728 5.616 1 0 IKAFRN CCOc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3OCC)c2)ccn1 ZINC000028572044 563059478 /nfs/dbraw/zinc/05/94/78/563059478.db2.gz FCOGOYOJNYQGJG-UHFFFAOYSA-N 0 0 426.520 6.428 1 0 IKAFRN CN(C)C(=O)CCCCCC[C@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 ZINC000028641843 563060421 /nfs/dbraw/zinc/06/04/21/563060421.db2.gz KTJCFCARYHSLOR-JQPPBRKOSA-N 0 0 445.688 5.614 1 0 IKAFRN CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C[C@@H]1O ZINC000028642791 563060566 /nfs/dbraw/zinc/06/05/66/563060566.db2.gz CYAGVDMNRPMVDV-ZMIVVTAWSA-N 0 0 440.712 7.348 1 0 in-vitro IKAFRN CCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1C(F)(F)F ZINC000028644063 563060575 /nfs/dbraw/zinc/06/05/75/563060575.db2.gz NBFMTGBUPXDUBC-UHFFFAOYSA-N 0 0 426.446 5.167 1 0 IKAFRN C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(=CCO)[C@H](O)C3)CCC[C@]21C ZINC000028645558 563060667 /nfs/dbraw/zinc/06/06/67/563060667.db2.gz YNIUCOAOVZEMHY-KOGDVJBPSA-N 0 0 446.672 5.067 1 0 IKAFRN C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=CCF)[C@H](O)C3)CCC[C@]21C ZINC000028645542 563060669 /nfs/dbraw/zinc/06/06/69/563060669.db2.gz NPQPAYRGQQTLEO-SBOHFYHJSA-N 0 0 448.663 6.044 1 0 IKAFRN O=C(NCc1ccccc1Cl)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F ZINC000028645301 563060686 /nfs/dbraw/zinc/06/06/86/563060686.db2.gz PKUQNCZXTZGBPM-UHFFFAOYSA-N 0 0 441.240 5.476 1 0 IKAFRN CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@@H](O)C4(C)C ZINC000028646878 563060815 /nfs/dbraw/zinc/06/08/15/563060815.db2.gz ONQRKEUAIJMULO-BVEDLWBASA-N 0 0 426.729 8.169 1 0 IKAFRN O=C1CS[C@@H](c2c(F)cccc2F)N1c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000028647371 563060876 /nfs/dbraw/zinc/06/08/76/563060876.db2.gz XDUQUVICUMADHK-DEOSSOPVSA-N 0 0 445.494 5.867 1 0 IKAFRN CCCCCCc1c(O)cccc1OCCCCCCCCCCCC(=O)NC1CC1 ZINC000028649222 563061086 /nfs/dbraw/zinc/06/10/86/563061086.db2.gz JHGUWCGGYDWNIQ-UHFFFAOYSA-N 0 0 431.661 7.073 1 0 IKAFRN C[C@H](c1nc(Nc2ccc(Br)cc2)n[nH]1)c1ccc(-c2ccccc2)cc1F ZINC000028654592 563061314 /nfs/dbraw/zinc/06/13/14/563061314.db2.gz HILGAIKIVMSJKR-AWEZNQCLSA-N 0 0 437.316 6.269 1 0 IKAFRN O=C(NC1CCCCC1)c1cn(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000028702454 563061495 /nfs/dbraw/zinc/06/14/95/563061495.db2.gz ZMRMCCQCBIVGDN-UHFFFAOYSA-N 0 0 432.326 6.048 1 0 IKAFRN CN(C(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1)C1CCCCC1 ZINC000028702478 563061522 /nfs/dbraw/zinc/06/15/22/563061522.db2.gz NLKZUPMRVTXOQH-UHFFFAOYSA-N 0 0 428.363 6.251 1 0 in-vitro IKAFRN O=C1NC(=S)SC1=Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000028703286 563061732 /nfs/dbraw/zinc/06/17/32/563061732.db2.gz XVYLEONEMYQIGD-LPYMAVHISA-N 0 0 433.554 6.174 1 0 IKAFRN O=C([O-])C[C@@H](c1ccccc1)n1ccc2cc(CCCc3ccc4c([nH+]3)NCCC4)ccc21 ZINC000028707388 563062079 /nfs/dbraw/zinc/06/20/79/563062079.db2.gz NEBGAKBOVCHODI-SANMLTNESA-N 0 0 439.559 5.634 1 0 IKAFRN CCCCCC[C@H](c1cc(=O)oc2cc(OC(C)=O)ccc21)S(=O)(=O)c1ccccc1 ZINC000028709429 563062378 /nfs/dbraw/zinc/06/23/78/563062378.db2.gz CKXAUWSOCFTXQY-HSZRJFAPSA-N 0 0 442.533 5.204 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCc1ccc2c(c1)OCO2 ZINC000028710849 563062680 /nfs/dbraw/zinc/06/26/80/563062680.db2.gz BFQQYXZIMKNZNI-DOFZRALJSA-N 0 0 438.608 7.604 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCC1OCC(C)(C)CO1 ZINC000028710848 563062682 /nfs/dbraw/zinc/06/26/82/563062682.db2.gz LUOSPTFXHTWCME-GKFVBPDJSA-N 0 0 446.672 7.465 1 0 IKAFRN O=C(N[C@@H](Cc1ccccc1)C(=O)Oc1cccc2ccccc21)OCc1ccccc1 ZINC000028765925 563064135 /nfs/dbraw/zinc/06/41/35/563064135.db2.gz QOEZYSHXDXOWSO-DEOSSOPVSA-N 0 0 425.484 5.283 1 0 IKAFRN CCN[C@H](c1c(Cl)cc(O)cc1Cl)[C@H](NCC)c1c(Cl)cc(O)cc1Cl ZINC000028769571 563064297 /nfs/dbraw/zinc/06/42/97/563064297.db2.gz UZLSQSZSEHSGNT-QZTJIDSGSA-N 0 0 438.182 5.713 1 0 IKAFRN CC(=O)Oc1ccc(-c2c(C)c3cc(OC(C)=O)ccc3n2Cc2ccc(C)cc2)cc1 ZINC000028768665 563064346 /nfs/dbraw/zinc/06/43/46/563064346.db2.gz CNLRDQXEXAROLC-UHFFFAOYSA-N 0 0 427.500 5.824 1 0 IKAFRN FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1-c1ccncc1 ZINC000028817709 563064683 /nfs/dbraw/zinc/06/46/83/563064683.db2.gz DMVACINAOWAHKR-UHFFFAOYSA-N 0 0 436.264 6.558 1 0 IKAFRN CCOC(=O)c1ccc(Cn2c(CC(F)(F)F)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000028817678 563064684 /nfs/dbraw/zinc/06/46/84/563064684.db2.gz UVYZCJATIUPPHA-UHFFFAOYSA-N 0 0 431.241 5.673 1 0 IKAFRN CCOC(=O)CCCOc1ccc(-n2cnc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000028821609 563065443 /nfs/dbraw/zinc/06/54/43/563065443.db2.gz GGLRARBADDSMSO-UHFFFAOYSA-N 0 0 426.516 5.928 1 0 IKAFRN CCOC(=O)C[C@@H](CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1)C(C)C ZINC000028821677 563065469 /nfs/dbraw/zinc/06/54/69/563065469.db2.gz RZJZSMOCWTXXTM-AREMUKBSSA-N 0 0 446.635 7.311 1 0 IKAFRN CC[C@H]1O[C@H](c2ccccc2)[C@]2(C(=O)N([C@@H](C)c3ccccc3)[C@H]2c2ccccc2)[C@@H]1O ZINC000028822309 563065677 /nfs/dbraw/zinc/06/56/77/563065677.db2.gz NKUPRKKJSZEXER-AVHPBXTJSA-N 0 0 427.544 5.229 1 0 IKAFRN O=C1OC[C@H]2[C@@H]1Cc1c(Cl)cccc1[C@@H]2/C=C/c1ccc(-c2cccc(Cl)c2)cn1 ZINC000028823201 563065862 /nfs/dbraw/zinc/06/58/62/563065862.db2.gz IJHURODMFRMRBT-AEXASODUSA-N 0 0 436.338 6.198 1 0 IKAFRN C[C@H](C1CCCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823227 563065939 /nfs/dbraw/zinc/06/59/39/563065939.db2.gz SUYIHEGPYVNQBO-OAHLLOKOSA-N 0 0 442.408 5.650 1 0 IKAFRN COc1ccc(/C=C/c2cc(OC)c(CCCCCCCCCCO)c(OC)c2)cc1 ZINC000028823583 563065940 /nfs/dbraw/zinc/06/59/40/563065940.db2.gz FFXULECVUHKNSM-BUHFOSPRSA-N 0 0 426.597 6.538 1 0 IKAFRN Cc1ccc2c(cccc2NC[C@](O)(C[C@]2(C)CCCc3ccccc32)C(F)(F)F)n1 ZINC000028826276 563066473 /nfs/dbraw/zinc/06/64/73/563066473.db2.gz DHLZHFIJSYWCJK-BJKOFHAPSA-N 0 0 428.498 5.933 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000028862476 563066828 /nfs/dbraw/zinc/06/68/28/563066828.db2.gz RRDSVYGZMKNAFC-LJQANCHMSA-N 0 0 439.276 6.345 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1c(C)ccc2ccccc21)C(F)(F)F ZINC000028862553 563066834 /nfs/dbraw/zinc/06/68/34/563066834.db2.gz BXRDIKRRETWSCY-XMMPIXPASA-N 0 0 434.473 6.500 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000028862488 563066843 /nfs/dbraw/zinc/06/68/43/563066843.db2.gz XZKRNADKQRQVOR-LJQANCHMSA-N 0 0 439.276 6.345 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000028862481 563066857 /nfs/dbraw/zinc/06/68/57/563066857.db2.gz OIXUDXUFFGADIZ-IBGZPJMESA-N 0 0 439.276 6.345 1 0 IKAFRN COc1ccc(CCSc2nc([C@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862837 563066916 /nfs/dbraw/zinc/06/69/16/563066916.db2.gz LOXQNIAXBACKIR-CYBMUJFWSA-N 0 0 449.403 5.880 1 0 IKAFRN CC(=O)Oc1ccc(CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862799 563066938 /nfs/dbraw/zinc/06/69/38/563066938.db2.gz BFHCCGJNQWGELU-UHFFFAOYSA-N 0 0 449.359 5.194 1 0 IKAFRN COc1ccc(/C=C/CSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000028862971 563067020 /nfs/dbraw/zinc/06/70/20/563067020.db2.gz RPUXUCACLDJRBP-VBROQKIQSA-N 0 0 428.504 5.322 1 0 IKAFRN CC(=O)Oc1ccc(Br)cc1C(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000028863464 563067093 /nfs/dbraw/zinc/06/70/93/563067093.db2.gz NSBRGHJZGNLIAO-UHFFFAOYSA-N 0 0 446.385 6.222 1 0 IKAFRN C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C4=CCCO[C@@H]4C3)CCC[C@@]21C ZINC000028865760 563067137 /nfs/dbraw/zinc/06/71/37/563067137.db2.gz LFHQKMQIKUQKFP-AVGBDCGASA-N 0 0 442.684 6.503 1 0 IKAFRN CCCCCn1c(C)c(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c(=O)c2ccccc21 ZINC000028864464 563067139 /nfs/dbraw/zinc/06/71/39/563067139.db2.gz FXVVMQDNFASIOI-IBGZPJMESA-N 0 0 426.560 6.144 1 0 IKAFRN Cc1ccccc1/C(=C/C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 ZINC000028863827 563067146 /nfs/dbraw/zinc/06/71/46/563067146.db2.gz KYAPMESATRKSNW-HKOYGPOVSA-N 0 0 427.544 6.134 1 0 IKAFRN CCOP(=O)(OCC)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]12C ZINC000028870305 563067444 /nfs/dbraw/zinc/06/74/44/563067444.db2.gz FZVDUMLLFNWHEX-JIAAILLZSA-N 0 0 438.501 5.823 1 0 IKAFRN COc1cc2c(cc1OC)CN(Cc1ccc3cc(-c4ccccc4)oc3c1OC)CC2 ZINC000028878120 563067702 /nfs/dbraw/zinc/06/77/02/563067702.db2.gz FYIAOCVACKOQMX-UHFFFAOYSA-N 0 0 429.516 5.684 1 0 IKAFRN Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4c(Cl)cccc4Cl)c3)c12 ZINC000028885496 563068000 /nfs/dbraw/zinc/06/80/00/563068000.db2.gz KQXYLZOGVVHRFX-UHFFFAOYSA-N 0 0 439.346 6.132 1 0 IKAFRN Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4OC(F)F)c3)c12 ZINC000028885365 563068046 /nfs/dbraw/zinc/06/80/46/563068046.db2.gz SYXCOPRMXTYKNO-UHFFFAOYSA-N 0 0 436.462 5.426 1 0 IKAFRN CCCc1ncnc(N[C@@H](CC)c2ccc(Oc3ccc(F)cc3)cc2)c1Br ZINC000028887716 563068130 /nfs/dbraw/zinc/06/81/30/563068130.db2.gz SNPAOHQPLNUMPU-IBGZPJMESA-N 0 0 444.348 6.686 1 0 IKAFRN Fc1ccc(-c2nn3c(cccc3NC3CCCC3)c2-c2c[nH]c(NC3CCCC3)n2)cc1 ZINC000028890512 563068287 /nfs/dbraw/zinc/06/82/87/563068287.db2.gz URAGBINSEHYGQD-UHFFFAOYSA-N 0 0 444.558 6.240 1 0 IKAFRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)Nc1ccc(O)c(Cl)c1 ZINC000028895863 563068698 /nfs/dbraw/zinc/06/86/98/563068698.db2.gz VZDPAYQFJHNFDN-HPWKXKAUSA-N 0 0 426.000 7.516 1 0 IKAFRN Cn1cc(Cc2cn(C)c3ccc(Br)cc23)c2cc(Br)ccc21 ZINC000028949189 563069427 /nfs/dbraw/zinc/06/94/27/563069427.db2.gz KEXXZYICJHIPKO-UHFFFAOYSA-N 0 0 432.159 5.786 1 0 IKAFRN CC(C)OCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc65)cc43)nc21 ZINC000028950061 563069482 /nfs/dbraw/zinc/06/94/82/563069482.db2.gz SZVKQFOSCWNKPT-UHFFFAOYSA-N 0 0 434.503 5.641 1 0 IKAFRN CCN(CC)C(=O)Oc1ccc(C2(c3ccc(N(C)C(C)=O)cc3)CCCCCC2)cc1 ZINC000028950158 563069537 /nfs/dbraw/zinc/06/95/37/563069537.db2.gz PTIBOEHTDCKNFZ-UHFFFAOYSA-N 0 0 436.596 6.150 1 0 IKAFRN O=C(Nc1nc(-c2ccc(C(F)(F)F)cc2)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952530 563069834 /nfs/dbraw/zinc/06/98/34/563069834.db2.gz IMJQJDIOWHMZHO-UHFFFAOYSA-N 0 0 441.438 5.615 1 0 IKAFRN O=C(Nc1coc(-c2cccc(C(F)(F)F)c2F)n1)c1ccc(Nc2ccncn2)cc1 ZINC000028953192 563069942 /nfs/dbraw/zinc/06/99/42/563069942.db2.gz ILSLWQOFMXFORO-UHFFFAOYSA-N 0 0 443.360 5.285 1 0 IKAFRN C=C1OC=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]12C ZINC000028954911 563070078 /nfs/dbraw/zinc/07/00/78/563070078.db2.gz HEDVRZZOBZFHBU-QYQUYBGJSA-N 0 0 442.603 5.963 1 0 IKAFRN Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cc(C(F)(F)F)ccc2N(C)C)n1CC1CC1 ZINC000028954366 563070098 /nfs/dbraw/zinc/07/00/98/563070098.db2.gz BLBIJEGJALRLOC-QOMWVZHYSA-N 0 0 439.547 5.391 1 0 IKAFRN Cc1c(C(C)(C)C)s/c(=N\C(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1CC1CC1 ZINC000028954357 563070136 /nfs/dbraw/zinc/07/01/36/563070136.db2.gz FMJPYKRJGDIQFB-BWAHOGKJSA-N 0 0 430.923 5.979 1 0 IKAFRN COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@H](OC(C)C)c2ccccc2-3)cc1 ZINC000028955707 563070184 /nfs/dbraw/zinc/07/01/84/563070184.db2.gz HOYNOXLHNFOKQP-HHHXNRCGSA-N 0 0 425.528 5.862 1 0 IKAFRN CCc1nc(N[C@H](CC)c2ccccc2)c(CC)nc1Nc1ncc(Cl)cc1Cl ZINC000028956357 563070329 /nfs/dbraw/zinc/07/03/29/563070329.db2.gz NIMHOJJVTQKDIQ-QGZVFWFLSA-N 0 0 430.383 6.610 1 0 IKAFRN CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)cc(C)n2)nc1CC ZINC000028956462 563070331 /nfs/dbraw/zinc/07/03/31/563070331.db2.gz OHGDKOGPXYYKAS-LADGPHEKSA-N 0 0 432.568 5.520 1 0 IKAFRN COc1ccc2c(c1)CC[C@@H](NC(=O)Nc1cccc3cnccc31)[C@H]2Cc1ccccc1 ZINC000028959145 563070621 /nfs/dbraw/zinc/07/06/21/563070621.db2.gz HLMMYNCSAQLMGG-AHKZPQOWSA-N 0 0 437.543 5.706 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@@H]1CCc2cc(F)ccc2[C@@H]1Cc1ccccc1 ZINC000028959189 563070624 /nfs/dbraw/zinc/07/06/24/563070624.db2.gz FXFUGZJVGIYTPJ-AZGAKELHSA-N 0 0 425.507 5.837 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@H]1CCc2c(Cl)cccc2[C@@H]1Cc1ccccc1 ZINC000028959216 563070627 /nfs/dbraw/zinc/07/06/27/563070627.db2.gz IGLYWXHZBJDYEO-OZXSUGGESA-N 0 0 441.962 6.351 1 0 IKAFRN C[N@H+](CCOc1ccc(-c2ccc3c(c2)CCO3)cc1-c1ccccc1Cl)CC(=O)[O-] ZINC000028958426 563070636 /nfs/dbraw/zinc/07/06/36/563070636.db2.gz YJCIAODGCVLELU-UHFFFAOYSA-N 0 0 437.923 5.004 1 0 IKAFRN NC(=O)c1cnc2cc(-c3ccc(C(=O)C4CCCC4)cc3)ccc2c1Nc1ccccc1 ZINC000028960595 563070746 /nfs/dbraw/zinc/07/07/46/563070746.db2.gz TURITJGBAMUOHE-UHFFFAOYSA-N 0 0 435.527 6.117 1 0 IKAFRN CC(=O)N1C[C@@H](c2ccccc2)[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000028961404 563070773 /nfs/dbraw/zinc/07/07/73/563070773.db2.gz FDLMXQUTNNMCCC-CAYVGHNUSA-N 0 0 445.403 5.816 1 0 IKAFRN Clc1cccc(CSc2nnc(-c3ccsc3)n2Cc2ccccc2)c1Cl ZINC000028976786 563071473 /nfs/dbraw/zinc/07/14/73/563071473.db2.gz SOQGQCHDPWIWCU-UHFFFAOYSA-N 0 0 432.401 6.654 1 0 IKAFRN C[C@]1(c2cccc(OCc3ccccc3)c2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O ZINC000028978558 563071505 /nfs/dbraw/zinc/07/15/05/563071505.db2.gz QASCBWTWFDWZJI-HSZRJFAPSA-N 0 0 426.299 5.665 1 0 IKAFRN Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)C2CCCCC2)cc1 ZINC000029039261 563071873 /nfs/dbraw/zinc/07/18/73/563071873.db2.gz PFMDDIUTOACPOG-UHFFFAOYSA-N 0 0 433.577 5.446 1 0 IKAFRN COc1cc(/C=C/C(=O)NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1O ZINC000029039184 563071876 /nfs/dbraw/zinc/07/18/76/563071876.db2.gz TVDJNWGQAWTVFW-MDZDMXLPSA-N 0 0 441.568 5.040 1 0 IKAFRN COCCNc1ccn2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1 ZINC000029039854 563071910 /nfs/dbraw/zinc/07/19/10/563071910.db2.gz FPZNHXIUFKJEHG-UHFFFAOYSA-N 0 0 446.530 5.010 1 0 IKAFRN Cc1cc(NC(=O)Cc2cccnc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029042458 563072133 /nfs/dbraw/zinc/07/21/33/563072133.db2.gz MBNHYSACNLWTFZ-UHFFFAOYSA-N 0 0 446.938 5.048 1 0 IKAFRN CC(C)=CCC/C(C)=C/COc1cc(O)c(C(C)=O)c2c1C=C[C@@](C)(CCC=C(C)C)O2 ZINC000029041976 563072161 /nfs/dbraw/zinc/07/21/61/563072161.db2.gz XSSCFVOPJZDLBW-GHMVGRGESA-N 0 0 438.608 7.577 1 0 IKAFRN C/C1=C\CC/C(C)=C/[C@H](OC(=O)NCc2ccccc2)C[C@](C)(O)/C=C/[C@H](C(C)C)CC1 ZINC000029042277 563072186 /nfs/dbraw/zinc/07/21/86/563072186.db2.gz GMIZPNVASYWNGR-HIZAWWPOSA-N 0 0 439.640 6.718 1 0 IKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4ccc(C)c5c4CCC5)cc3)oc2c(C)c1 ZINC000029048447 563072807 /nfs/dbraw/zinc/07/28/07/563072807.db2.gz FUOUVOAVLJXZTC-UHFFFAOYSA-N 0 0 426.516 5.926 1 0 IKAFRN Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Br)ccc3o2)cc1 ZINC000029048996 563072899 /nfs/dbraw/zinc/07/28/99/563072899.db2.gz CQDVRBBTROIYGZ-UHFFFAOYSA-N 0 0 437.293 5.583 1 0 IKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4ccc(-c5ccccc5)cc4)cc3)oc2c(C)c1 ZINC000029049422 563072948 /nfs/dbraw/zinc/07/29/48/563072948.db2.gz KDNMDRLCMQZPAC-UHFFFAOYSA-N 0 0 448.522 6.796 1 0 IKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4ccccc4-c4ccccc4)cc3)oc2c(C)c1 ZINC000029049427 563072963 /nfs/dbraw/zinc/07/29/63/563072963.db2.gz LPTXODFIEIXCAJ-UHFFFAOYSA-N 0 0 448.522 6.796 1 0 IKAFRN CC(=O)S[C@@H](CCc1ccccc1)[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 ZINC000029053200 563073211 /nfs/dbraw/zinc/07/32/11/563073211.db2.gz CFRFZOJZPLDJPP-ISJGIBHGSA-N 0 0 449.547 5.517 1 0 IKAFRN CCc1ccccc1-c1cc(OC)c2c(n1)CCC[C@@H]2N(CC)c1cccc2ccccc21 ZINC000029053812 563073243 /nfs/dbraw/zinc/07/32/43/563073243.db2.gz MMXMFMPXNVWWPU-NDEPHWFRSA-N 0 0 436.599 7.377 1 0 IKAFRN Cc1c(-c2cnc3sc4ccccc4n23)c(C(=O)Nc2ccccc2)nn1-c1ccccc1 ZINC000029123348 563073889 /nfs/dbraw/zinc/07/38/89/563073889.db2.gz DPAURYZPZRNGIA-UHFFFAOYSA-N 0 0 449.539 5.962 1 0 IKAFRN CCCCCOc1ccc(/N=c2/scc(CC(=O)Nc3ccc(CC)cc3)n2C)cc1 ZINC000029124838 563074179 /nfs/dbraw/zinc/07/41/79/563074179.db2.gz CPJVMPMQCOLVNV-IMVLJIQESA-N 0 0 437.609 5.632 1 0 IKAFRN CCn1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)n1 ZINC000029124669 563074180 /nfs/dbraw/zinc/07/41/80/563074180.db2.gz XWBQCYPJNIGGJZ-UHFFFAOYSA-N 0 0 433.730 5.481 1 0 IKAFRN O=C(c1ccccc1)N1N=C(c2ccc(-c3ccccc3)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000029128860 563075317 /nfs/dbraw/zinc/07/53/17/563075317.db2.gz JIVYZZMTPORXDK-HHHXNRCGSA-N 0 0 436.942 6.999 1 0 IKAFRN CC(C)Cn1cnc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)cc21 ZINC000029130965 563075592 /nfs/dbraw/zinc/07/55/92/563075592.db2.gz FGRSPBXZSPTKJS-UHFFFAOYSA-N 0 0 428.486 6.695 1 0 IKAFRN O=C([O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2Cl)cc1 ZINC000029131990 563075674 /nfs/dbraw/zinc/07/56/74/563075674.db2.gz IQKCPEMRGFWRHP-QFIPXVFZSA-N 0 0 430.331 5.224 1 0 IKAFRN CCOC(=O)c1c(N)sc(-c2ccc(C(C)=O)cc2)c1-c1cccc(C(F)(F)F)c1 ZINC000029132639 563075779 /nfs/dbraw/zinc/07/57/79/563075779.db2.gz QTJOHXYQHVGPDS-UHFFFAOYSA-N 0 0 433.451 6.062 1 0 IKAFRN CC(=O)CCCCC[C@H](N[C@H]1CCCCN1C)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000029133209 563075897 /nfs/dbraw/zinc/07/58/97/563075897.db2.gz CIUMTXQEHQJOHY-IZZNHLLZSA-N 0 0 435.612 5.232 1 0 IKAFRN CC(=O)CCCCC[C@H](N[C@@H]1CCCCN1C)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000029133211 563075924 /nfs/dbraw/zinc/07/59/24/563075924.db2.gz CIUMTXQEHQJOHY-UIOOFZCWSA-N 0 0 435.612 5.232 1 0 IKAFRN Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(N)ncc2c1 ZINC000029134698 563076105 /nfs/dbraw/zinc/07/61/05/563076105.db2.gz BIPPSOZOQMDQPZ-UHFFFAOYSA-N 0 0 437.425 5.850 1 0 IKAFRN CC(=O)c1c(=O)n(CCCCCO)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000029206770 563076389 /nfs/dbraw/zinc/07/63/89/563076389.db2.gz VZJSJLORSBONGJ-UHFFFAOYSA-N 0 0 445.346 5.249 1 0 IKAFRN COC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1 ZINC000029217731 563076751 /nfs/dbraw/zinc/07/67/51/563076751.db2.gz MMIOWKYMBIIJIF-NRFANRHFSA-N 0 0 434.363 5.902 1 0 IKAFRN COc1ccc([C@@H]2CC[C@H](OCc3ccc(-n4c(C)nc5ccccc54)cc3)O2)cc1OC ZINC000029311239 563077522 /nfs/dbraw/zinc/07/75/22/563077522.db2.gz HJQFXLTXKOEJDR-RPLLCQBOSA-N 0 0 444.531 5.746 1 0 IKAFRN CC(=O)Oc1c2ccccc2c(OC(C)=O)c(Oc2ccccc2)c1Oc1ccccc1 ZINC000029316650 563077573 /nfs/dbraw/zinc/07/75/73/563077573.db2.gz XRVLDXMRGPJNTA-UHFFFAOYSA-N 0 0 428.440 6.275 1 0 IKAFRN CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCCCC2=O ZINC000029345295 563078640 /nfs/dbraw/zinc/07/86/40/563078640.db2.gz LZYWJUJVQJOAFW-UHFFFAOYSA-N 0 0 440.551 5.030 1 0 IKAFRN COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)Cc1cc(C(C)C)oc1C4 ZINC000029389488 563078825 /nfs/dbraw/zinc/07/88/25/563078825.db2.gz KHYWDRNRDPVQEL-RPBOFIJWSA-N 0 0 446.499 5.035 1 0 IKAFRN O=C1N(CCCCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1 ZINC000029400960 563079236 /nfs/dbraw/zinc/07/92/36/563079236.db2.gz WXSUPRFKEUWQEL-UHFFFAOYSA-N 0 0 435.955 5.893 1 0 IKAFRN COc1ccc(-c2ccc(OCCCCCN3CCN(c4ccncc4)C3=O)cc2)cc1 ZINC000029400955 563079249 /nfs/dbraw/zinc/07/92/49/563079249.db2.gz OGEXSSDSZNIMHQ-UHFFFAOYSA-N 0 0 431.536 5.249 1 0 IKAFRN O=C1N(CCCCCCOc2ccc(C(F)(F)F)cc2)CCN1c1ccnc(Cl)c1 ZINC000029401225 563079272 /nfs/dbraw/zinc/07/92/72/563079272.db2.gz KRBUGRVYKXBSEM-UHFFFAOYSA-N 0 0 441.881 5.635 1 0 IKAFRN Cc1csc(-c2cc(-c3ccc(C(C)(C)C)cc3)c3n(c2=O)CCCc2ccncc2-3)n1 ZINC000029403852 563079369 /nfs/dbraw/zinc/07/93/69/563079369.db2.gz VDWYQUGGMXOSQJ-UHFFFAOYSA-N 0 0 441.600 6.253 1 0 IKAFRN CCOC(=O)Oc1ccc(-c2nn(-c3c(Cl)cc(Cl)cc3Cl)c(=N)s2)cc1 ZINC000029412360 563079928 /nfs/dbraw/zinc/07/99/28/563079928.db2.gz WVGTZDCSCHVAPY-UHFFFAOYSA-N 0 0 444.727 5.576 1 0 IKAFRN C/C1=C/CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)c2ccc(cc2CO)C[C@@H](O)CC1 ZINC000029412419 563079946 /nfs/dbraw/zinc/07/99/46/563079946.db2.gz PXBWNGKEUOCNRT-PZWZCXTDSA-N 0 0 440.712 7.565 1 0 IKAFRN COc1ccc([C@H]2CCc3ccccc3[C@@H]2NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000029416048 563080000 /nfs/dbraw/zinc/08/00/00/563080000.db2.gz OZXVQQLRFVQEFN-DGPALRBDSA-N 0 0 447.578 6.415 1 0 IKAFRN COc1ccc2c(c1)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)CC2 ZINC000029463264 563080259 /nfs/dbraw/zinc/08/02/59/563080259.db2.gz HWGLRHBPWWLEBX-POURPWNDSA-N 0 0 447.578 6.415 1 0 IKAFRN CC(C)(C)c1cc(-c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c(=N)s2)ccn1 ZINC000029467914 563080466 /nfs/dbraw/zinc/08/04/66/563080466.db2.gz YJDVUJCIWWOTGU-UHFFFAOYSA-N 0 0 447.313 6.098 1 0 IKAFRN COc1cccc(C(c2ccc(C(C)C)cc(=O)c2O)c2ccc(C(C)C)cc(=O)c2O)c1 ZINC000029470155 563080666 /nfs/dbraw/zinc/08/06/66/563080666.db2.gz UUFLRVJBIHITBZ-UHFFFAOYSA-N 0 0 446.543 5.254 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ccc(Cl)cc1 ZINC000029480821 563081100 /nfs/dbraw/zinc/08/11/00/563081100.db2.gz FSHLHNXMNVQREI-UHFFFAOYSA-N 0 0 446.982 7.570 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NCc1ccccn1)c1ccccc1 ZINC000029481079 563081102 /nfs/dbraw/zinc/08/11/02/563081102.db2.gz RLKGOOILEBUPFL-VWLOTQADSA-N 0 0 430.596 5.981 1 0 IKAFRN COc1ccccc1C(=C/C=C/C(=O)NCCCCc1cccnc1)c1ccccc1OC ZINC000029482560 563081209 /nfs/dbraw/zinc/08/12/09/563081209.db2.gz CPGHLTGASAARCO-GIJQJNRQSA-N 0 0 442.559 5.226 1 0 IKAFRN COc1ccccc1-n1c(NC(=O)Nc2c(C(C)C)cccc2C(C)C)nc2ccccc21 ZINC000029483650 563081238 /nfs/dbraw/zinc/08/12/38/563081238.db2.gz GCYHJDAGQVPRHQ-UHFFFAOYSA-N 0 0 442.563 6.925 1 0 IKAFRN CCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2 ZINC000029484937 563081311 /nfs/dbraw/zinc/08/13/11/563081311.db2.gz ARAFYPRUPJZLKF-UHFFFAOYSA-N 0 0 442.441 5.753 1 0 IKAFRN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ncccc2C(F)(F)F)C([N+](=O)[O-])=C(C)N1 ZINC000029485466 563081333 /nfs/dbraw/zinc/08/13/33/563081333.db2.gz CWUITVIIPSEPTE-QUWSGOTNSA-N 0 0 447.413 5.196 1 0 IKAFRN Cc1cccc(COc2ccc(NC(=O)N3CCc4cc(C)c(C(F)(F)F)cc43)cn2)n1 ZINC000029484684 563081347 /nfs/dbraw/zinc/08/13/47/563081347.db2.gz ZWUGPYFBRWYLBW-UHFFFAOYSA-N 0 0 442.441 5.286 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ccccc1Cl ZINC000029485030 563081348 /nfs/dbraw/zinc/08/13/48/563081348.db2.gz HTIVQRSGBOUPBD-UHFFFAOYSA-N 0 0 446.982 7.570 1 0 IKAFRN COc1ccc(/C(=C\C=C\C(=O)N[C@H](C)CCCc2cccnc2)C2CCCCC2)cc1 ZINC000029486016 563081372 /nfs/dbraw/zinc/08/13/72/563081372.db2.gz ZDHBRXKWSOVSKM-KOZRAUCBSA-N 0 0 432.608 6.138 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H](CNC(=O)c1ccccc1)c1ccccc1 ZINC000029488485 563081436 /nfs/dbraw/zinc/08/14/36/563081436.db2.gz KRHGNVPTXGZLQD-VWLOTQADSA-N 0 0 443.591 6.226 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H](CNC(=O)c1ccccc1)c1ccccc1 ZINC000029488489 563081448 /nfs/dbraw/zinc/08/14/48/563081448.db2.gz KRHGNVPTXGZLQD-RUZDIDTESA-N 0 0 443.591 6.226 1 0 IKAFRN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(C(F)(F)F)n2)C([N+](=O)[O-])=C(C)N1 ZINC000029488535 563081480 /nfs/dbraw/zinc/08/14/80/563081480.db2.gz FCNGTHLXNSEDJW-UQNFDQQLSA-N 0 0 447.413 5.196 1 0 IKAFRN CC1(C)CC[C@@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000029549235 563081877 /nfs/dbraw/zinc/08/18/77/563081877.db2.gz PSZDOEIIIJFCFE-XUKRPAFTSA-N 0 0 442.728 7.141 1 0 IKAFRN Cc1oc(-c2ccc(C)cc2)nc1CCC(=O)c1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000029551249 563081903 /nfs/dbraw/zinc/08/19/03/563081903.db2.gz SIUCDAMPOPHKST-BKUYFWCQSA-N 0 0 432.501 5.098 1 0 IKAFRN Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2CCOCC2)c(C)c1 ZINC000031715915 563083390 /nfs/dbraw/zinc/08/33/90/563083390.db2.gz LZSRHPZGZOQOMC-SXOMAYOGSA-N 0 0 429.560 5.583 1 0 IKAFRN Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)N2CCOCC2)c(C)c1 ZINC000031715913 563083395 /nfs/dbraw/zinc/08/33/95/563083395.db2.gz LZSRHPZGZOQOMC-KAYWLYCHSA-N 0 0 429.560 5.583 1 0 IKAFRN O=C(Nc1ccccc1F)c1cc2ccc(O)cc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000031905189 563083770 /nfs/dbraw/zinc/08/37/70/563083770.db2.gz QLOQZUDCKIKBNZ-SLMZUGIISA-N 0 0 442.368 5.781 1 0 IKAFRN COc1ccc(C2=NO[C@@]3(SCc4ccccc4C3=O)[C@H]2c2ccc(OC)cc2)cc1 ZINC000031909858 563083830 /nfs/dbraw/zinc/08/38/30/563083830.db2.gz BLYMEWHJKISCOO-WIOPSUGQSA-N 0 0 431.513 5.048 1 0 IKAFRN COc1ccc(C2=NO[C@@]3(SCc4ccccc4C3=O)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000031909854 563083867 /nfs/dbraw/zinc/08/38/67/563083867.db2.gz BLYMEWHJKISCOO-RCZVLFRGSA-N 0 0 431.513 5.048 1 0 IKAFRN COc1ccc(C2=NO[C@]3(SCc4ccccc4C3=O)[C@H]2c2ccc(OC)cc2)cc1 ZINC000031909864 563083914 /nfs/dbraw/zinc/08/39/14/563083914.db2.gz BLYMEWHJKISCOO-DHLKQENFSA-N 0 0 431.513 5.048 1 0 IKAFRN CCCCn1c2ccc(Cl)cc2c(=O)c2c1C[C@H](c1ccc(C(F)(F)F)cc1)CC2=O ZINC000032253147 563084197 /nfs/dbraw/zinc/08/41/97/563084197.db2.gz ZVOXGEQFLGXBIE-HNNXBMFYSA-N 0 0 447.884 6.387 1 0 IKAFRN Clc1ccc([C@@H](CCOc2ccc(Br)cc2)Cn2ccnc2)c(Cl)c1 ZINC000033493838 563084519 /nfs/dbraw/zinc/08/45/19/563084519.db2.gz FVEQGTXOBNBFPK-AWEZNQCLSA-N 0 0 440.168 6.205 1 0 IKAFRN CC(=O)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C ZINC000033816275 563084694 /nfs/dbraw/zinc/08/46/94/563084694.db2.gz WNTCMDLOMSFFPE-GXBJFGSMSA-N 0 0 426.685 6.958 1 0 IKAFRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4Cc5cnn(-c6ccccc6)c5N[C@@]4(C)CC[C@@H]32)C1 ZINC000033849424 563084864 /nfs/dbraw/zinc/08/48/64/563084864.db2.gz XVVJHYWVIHHEOR-KLPWJXDZSA-N 0 0 445.607 5.693 1 0 IKAFRN COc1ccc(OC)c(-c2nc3ccc(Br)cn3c2NCc2ccccc2)c1 ZINC000033887411 563084961 /nfs/dbraw/zinc/08/49/61/563084961.db2.gz XYIFDPBEKWRUEA-UHFFFAOYSA-N 0 0 438.325 5.393 1 0 IKAFRN Cc1cc(C)c(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)cn1 ZINC000034012174 563085350 /nfs/dbraw/zinc/08/53/50/563085350.db2.gz FMACPFBCGJVLLZ-UHFFFAOYSA-N 0 0 428.336 5.174 1 0 IKAFRN CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(CC=C(C)C)c1-c1cc2ccc(O)cc2o1 ZINC000034080896 563085577 /nfs/dbraw/zinc/08/55/77/563085577.db2.gz SYIDABHGIYOYPG-KEBDBYFISA-N 0 0 446.587 7.961 1 0 IKAFRN CC(=O)OC/C(=C\C[C@H]1OC(=O)C[C@H]1CO)CC/C=C(\C)CCC1=C(C)CCCC1(C)C ZINC000034440880 563086272 /nfs/dbraw/zinc/08/62/72/563086272.db2.gz MCMNDZVJLXSQIS-ZWFRQKONSA-N 0 0 446.628 5.823 1 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCCCO)[C@H]3[C@@H]1CC[C@@H]2O ZINC000034770137 563087064 /nfs/dbraw/zinc/08/70/64/563087064.db2.gz JGEUAWIQQPNGCZ-LIHJZYAESA-N 0 0 442.684 6.729 1 0 IKAFRN CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(SC)cc3)C[C@@]21C ZINC000034802077 563087621 /nfs/dbraw/zinc/08/76/21/563087621.db2.gz HOENTPHQBWBCJB-WKWWZUSTSA-N 0 0 432.629 6.062 1 0 IKAFRN Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c21 ZINC000034802749 563087686 /nfs/dbraw/zinc/08/76/86/563087686.db2.gz TWOLOZGQZKJZKJ-UHFFFAOYSA-N 0 0 445.376 5.563 1 0 in-vitro IKAFRN CC(C)c1cccc(C(C)C)c1N1CN(CC(c2ccccc2)c2ccccc2)CC1=O ZINC000034803554 563087797 /nfs/dbraw/zinc/08/77/97/563087797.db2.gz XXRAOJRXUGAIHI-UHFFFAOYSA-N 0 0 426.604 6.372 1 0 IKAFRN c1nn2c(ncc(-c3ccc(OC4CCCCC4)cc3)c2C2CCCCC2)c1-c1nn[nH]n1 ZINC000034819966 563087958 /nfs/dbraw/zinc/08/79/58/563087958.db2.gz XPLHLTYDOWIYHV-UHFFFAOYSA-N 0 0 443.555 5.336 1 0 IKAFRN COc1ccc([C@H]2CC(=O)N(c3cccc(NCc4ccoc4)c3)C2)cc1OC1CCCC1 ZINC000034820597 563088052 /nfs/dbraw/zinc/08/80/52/563088052.db2.gz NEXSAOOMVDQPHD-NRFANRHFSA-N 0 0 446.547 5.742 1 0 IKAFRN O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)cc1 ZINC000034874634 563088324 /nfs/dbraw/zinc/08/83/24/563088324.db2.gz OQISJILOOMGJEZ-UHFFFAOYSA-N 0 0 431.488 5.525 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1[S@](C)=O)c1ccccc1 ZINC000034983322 563088610 /nfs/dbraw/zinc/08/86/10/563088610.db2.gz BQWCXAMITVBWIR-JCOAXYOVSA-N 0 0 428.557 5.520 1 0 IKAFRN C[S@@](=O)c1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000034984442 563088618 /nfs/dbraw/zinc/08/86/18/563088618.db2.gz WJYCRUVWHFDNRS-QNLPTKCRSA-N 0 0 440.568 5.520 1 0 IKAFRN COc1ccccc1/C=C\CN(C(=O)c1ccc(C)cc1)C(c1ccccc1)c1ccccc1 ZINC000035002299 563088694 /nfs/dbraw/zinc/08/86/94/563088694.db2.gz VFAYWXARBIGQAX-BOPFTXTBSA-N 0 0 447.578 6.949 1 0 IKAFRN CCCN1C(=O)c2ccccc2[C@]1(OCCc1ccc(O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000035064425 563089094 /nfs/dbraw/zinc/08/90/94/563089094.db2.gz YRTWFZJSFHBPMW-GDLZYMKVSA-N 0 0 443.587 6.016 1 0 IKAFRN C[C@H](C[NH2+]CCCCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000035050531 563089105 /nfs/dbraw/zinc/08/91/05/563089105.db2.gz QSKIHUNBYZFLGI-ZHHJOTBYSA-N 0 0 431.661 5.407 1 0 IKAFRN CCCC(=O)N(CCC[C@@H](C)Nc1cc(OC)cc2cccnc21)Cc1ccc(F)cc1 ZINC000035097382 563089408 /nfs/dbraw/zinc/08/94/08/563089408.db2.gz FGSCJMUNMWRDDH-LJQANCHMSA-N 0 0 437.559 5.792 1 0 IKAFRN COc1cc2cccnc2c(N[C@@H](C)CCCN(Cc2ccccc2OC)C(=O)C(C)C)c1 ZINC000035095912 563089421 /nfs/dbraw/zinc/08/94/21/563089421.db2.gz VYAREVMWQQVFIV-FQEVSTJZSA-N 0 0 449.595 5.517 1 0 IKAFRN COc1cc2cccnc2c(N[C@H](C)CCCN(Cc2ccccc2OC)C(=O)C(C)C)c1 ZINC000035095910 563089428 /nfs/dbraw/zinc/08/94/28/563089428.db2.gz VYAREVMWQQVFIV-HXUWFJFHSA-N 0 0 449.595 5.517 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2s1)C(F)(F)F ZINC000035879347 563090263 /nfs/dbraw/zinc/09/02/63/563090263.db2.gz ORHHWJMIJCSUTC-FQEVSTJZSA-N 0 0 427.463 5.648 1 0 IKAFRN O=C1c2cccc3c(NC4CCCCC4)ccc(c32)C(=O)N1c1cccc(Br)c1 ZINC000035920947 563090411 /nfs/dbraw/zinc/09/04/11/563090411.db2.gz IVNRMLNYNXNUNM-UHFFFAOYSA-N 0 0 449.348 6.148 1 0 IKAFRN COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3cccc(Cl)c3F)c1NC2 ZINC000035984403 563090569 /nfs/dbraw/zinc/09/05/69/563090569.db2.gz MKROJQIUNPVZIP-UHFFFAOYSA-N 0 0 432.908 5.415 1 0 IKAFRN CC(C)CCn1c2ccc(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000036161235 563091450 /nfs/dbraw/zinc/09/14/50/563091450.db2.gz DDMDDWMWTMOXPE-UHFFFAOYSA-N 0 0 432.907 5.750 1 0 IKAFRN O=c1c(-c2ccc(C(F)(F)F)cc2)cccn1[C@H](CN1C=CC=CC=N1)c1ccccc1 ZINC000036190473 563092023 /nfs/dbraw/zinc/09/20/23/563092023.db2.gz YITOFYWWKAQJCU-HSZRJFAPSA-N 0 0 435.449 5.495 1 0 IKAFRN O=c1cc(-c2ccc(-c3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12 ZINC000036310629 563092655 /nfs/dbraw/zinc/09/26/55/563092655.db2.gz HTPYEYLGDZAIRX-UHFFFAOYSA-N 0 0 442.470 6.900 1 0 in-vivo IKAFRN CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000036294982 563092684 /nfs/dbraw/zinc/09/26/84/563092684.db2.gz MVMHIMFXUANMIR-OCLIHCLJSA-N 0 0 444.700 5.742 1 0 in-vivo IKAFRN C[C@H](Nc1cc(-c2ccc(N(C)C)cc2)nc(-n2cnc3ccncc32)n1)c1ccccc1 ZINC000036348878 563093124 /nfs/dbraw/zinc/09/31/24/563093124.db2.gz CMXVRFDAZVLFOZ-SFHVURJKSA-N 0 0 435.535 5.117 1 0 IKAFRN Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H]1O[C@](c3ccsc3)(Cc3ccccc31)O2 ZINC000036379226 563093576 /nfs/dbraw/zinc/09/35/76/563093576.db2.gz YNKCMZIOGSCLMR-AHWVRZQESA-N 0 0 427.525 5.174 1 0 IKAFRN Cc1nc2c3ccc(Br)cc3oc2c(SCc2nc3ccccc3[nH]2)n1 ZINC000036380952 563093727 /nfs/dbraw/zinc/09/37/27/563093727.db2.gz IAAMVTAYVZZVKO-UHFFFAOYSA-N 0 0 425.311 5.616 3 0 IKAFRN O=C(Nc1ccccc1)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000036381428 563093794 /nfs/dbraw/zinc/09/37/94/563093794.db2.gz JEACXEOIUIGTOT-UHFFFAOYSA-N 0 0 442.382 5.428 1 0 IKAFRN CCCCNc1c(-c2ccc(OC)c(Sc3ccc(OC)cc3)c2)nc2ccccn21 ZINC000036382353 563093954 /nfs/dbraw/zinc/09/39/54/563093954.db2.gz HLGCHERTBMGZKN-UHFFFAOYSA-N 0 0 433.577 6.382 3 0 IKAFRN COc1cc(-c2c(-c3ccc4c(c3)OCO4)noc2-c2ccsc2)cc(OC)c1OC ZINC000036383109 563094200 /nfs/dbraw/zinc/09/42/00/563094200.db2.gz RYOGFSJETOGFOK-UHFFFAOYSA-N 0 0 437.473 5.492 1 0 IKAFRN C[C@H]1CCC(=O)N([C@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000036383164 563094235 /nfs/dbraw/zinc/09/42/35/563094235.db2.gz GDWADZXNVFGCRH-PXNSSMCTSA-N 0 0 432.427 5.801 3 0 IKAFRN CC1(C)C[C@@H](NC(=S)Nc2ccccc2Cl)c2cc(Br)ccc2O1 ZINC000040430511 563103526 /nfs/dbraw/zinc/10/35/26/563103526.db2.gz TUBPYFDYIFDFBD-OAHLLOKOSA-N 0 0 425.779 5.691 1 0 IKAFRN C[C@@]12C(=O)Nc3cc(Cl)ccc3C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036387245 563094641 /nfs/dbraw/zinc/09/46/41/563094641.db2.gz BLLFQODFYIVNAZ-WVIBYCHQSA-N 0 0 444.918 5.040 3 0 IKAFRN COc1ccc(-c2ccc(F)cc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036387933 563094698 /nfs/dbraw/zinc/09/46/98/563094698.db2.gz LJUDQBSVMGSVLY-IAGXWTBMSA-N 0 0 441.546 6.413 1 0 IKAFRN CC(=O)c1ccc(-c2cccc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 ZINC000036387971 563094700 /nfs/dbraw/zinc/09/47/00/563094700.db2.gz ZDOITGLQBHPYRW-LXQNXJGFSA-N 0 0 435.567 6.612 1 0 IKAFRN C[C@]12CCC=C[C@@H]1[C@H](c1ccc(F)c(/C=C/c3ccccc3)c1)N(Cc1ccccc1)C2=O ZINC000036387914 563094714 /nfs/dbraw/zinc/09/47/14/563094714.db2.gz KAHGIBROZIDIFE-RBTRPSFGSA-N 0 0 437.558 7.052 1 0 IKAFRN Cc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036388361 563094766 /nfs/dbraw/zinc/09/47/66/563094766.db2.gz PUHUOPDTCVDJOL-OLVGDHEJSA-N 0 0 425.547 6.713 1 0 IKAFRN C[C@]12CCC=C[C@@H]1[C@H](c1ccc(/C=C/c3ccccc3)cc1F)N(Cc1ccccc1)C2=O ZINC000036388288 563094779 /nfs/dbraw/zinc/09/47/79/563094779.db2.gz ODWPOIWZPBWHQI-RBTRPSFGSA-N 0 0 437.558 7.052 1 0 IKAFRN COc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000036388371 563094783 /nfs/dbraw/zinc/09/47/83/563094783.db2.gz MJZNTIVTTZIIPF-YDWZHMMXSA-N 0 0 441.546 6.413 1 0 IKAFRN COc1ccc(-c2oc(=O)c3cc(OC)c(OC)cc3c2-c2cc(F)cc(OC)c2)cc1 ZINC000036388721 563094850 /nfs/dbraw/zinc/09/48/50/563094850.db2.gz OOBOWHKZDRQEQO-UHFFFAOYSA-N 0 0 436.435 5.301 3 0 IKAFRN COc1cccc(-c2ncc3ccccc3c2COC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000036388739 563094853 /nfs/dbraw/zinc/09/48/53/563094853.db2.gz XKZYXZCEEFNMSI-UHFFFAOYSA-N 0 0 425.528 6.565 3 0 IKAFRN c1[nH]c2ccccc2c1[C@@H]1CCCC(c2c[nH]c3ccccc32)(c2c[nH]c3ccccc32)C1 ZINC000036410142 563095122 /nfs/dbraw/zinc/09/51/22/563095122.db2.gz DQIIPAPLAOUTKD-HXUWFJFHSA-N 0 0 429.567 7.774 1 0 IKAFRN CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(C(C)(C)C)c4)cnc3c2)ccn1 ZINC000036410079 563095131 /nfs/dbraw/zinc/09/51/31/563095131.db2.gz RMPZMQHKGMSUFK-UHFFFAOYSA-N 0 0 427.508 5.218 1 0 IKAFRN CC(C)=CC[C@@H](OC(C)=O)/C(C)=C/[C@@H](O)C/C(C)=C/COc1ccc2ccc(=O)oc2c1 ZINC000036403200 563095137 /nfs/dbraw/zinc/09/51/37/563095137.db2.gz GPZNNGDJDDVSLA-IRKUGNOHSA-N 0 0 440.536 5.103 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cc(C)nc(C)c2[nH]1)C(F)(F)F ZINC000036426051 563095218 /nfs/dbraw/zinc/09/52/18/563095218.db2.gz CXXWEXDTTVWKSJ-QFIPXVFZSA-N 0 0 438.465 5.531 1 0 IKAFRN Cc1cc(CNC(=S)CCc2ccc(C(C)(C)C)cc2)cc(C)c1NS(C)(=O)=O ZINC000036485851 563095677 /nfs/dbraw/zinc/09/56/77/563095677.db2.gz GFVNXBREXSQUAD-UHFFFAOYSA-N 0 0 432.655 5.022 1 0 IKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccccc4)c(=N)c32)c1 ZINC000038141948 563096062 /nfs/dbraw/zinc/09/60/62/563096062.db2.gz FOFZSBYICLUIEN-DEOSSOPVSA-N 0 0 431.495 5.799 3 0 IKAFRN N=c1c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1[C@H]2c1ccc2c(c1)CCO2 ZINC000038142019 563096109 /nfs/dbraw/zinc/09/61/09/563096109.db2.gz WIUYCEBEKPEUQH-RUZDIDTESA-N 0 0 443.506 5.726 1 0 IKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccc(C)cc4)c(=N)c32)c1 ZINC000038142932 563096148 /nfs/dbraw/zinc/09/61/48/563096148.db2.gz UCXMCUPAPSEUKY-VWLOTQADSA-N 0 0 445.522 6.108 1 0 IKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccncc4)c(=N)c32)c1 ZINC000038142929 563096169 /nfs/dbraw/zinc/09/61/69/563096169.db2.gz KUCCLDAIHJALRJ-QHCPKHFHSA-N 0 0 432.483 5.194 1 0 IKAFRN COc1cccc([C@@H]2c3c(ccc4ccccc43)Oc3ncn(-c4cccc(C)c4)c(=N)c32)c1 ZINC000038142931 563096179 /nfs/dbraw/zinc/09/61/79/563096179.db2.gz IUKRUSAUJNTLNC-RUZDIDTESA-N 0 0 445.522 6.108 1 0 IKAFRN O=C(Nc1ccc(-c2nc3cc(NC(=O)[C@@H]4C[C@H]4F)ccc3[nH]2)cc1)c1ccccc1Cl ZINC000038147880 563096387 /nfs/dbraw/zinc/09/63/87/563096387.db2.gz HRROEMZOJHVNNJ-IEBWSBKVSA-N 0 0 448.885 5.432 1 0 IKAFRN CSc1ccc(NC(=O)Nc2c(=O)n(-c3cnc4ccccc4c3)n(C)c2C(C)C)cc1 ZINC000038157789 563096875 /nfs/dbraw/zinc/09/68/75/563096875.db2.gz AMJWADKSEJNOBY-UHFFFAOYSA-N 0 0 447.564 5.214 1 0 IKAFRN C[C@@]1([C@H](NC(=O)c2cccs2)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CCCCC1 ZINC000038179217 563096877 /nfs/dbraw/zinc/09/68/77/563096877.db2.gz CSVWAUMVMIFHBS-DKRHUIDYSA-N 0 0 429.629 7.493 1 0 IKAFRN Cc1cc(-c2cccc3cc[nH]c32)c(Cl)c2c1NC(C)(C)C(=O)[C@]2(C)Cc1ccccc1 ZINC000038269299 563097305 /nfs/dbraw/zinc/09/73/05/563097305.db2.gz GQEDWCRZISUBTM-MUUNZHRXSA-N 0 0 442.990 7.070 1 0 IKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C/C(=N\O)C4=CC(=O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000038428489 563097654 /nfs/dbraw/zinc/09/76/54/563097654.db2.gz GJRHBVPNSJKQGM-YSWBMCGKSA-N 0 0 429.645 6.008 1 0 IKAFRN COc1ccc(C2=C(OC(=O)c3ccncc3)c3cccn3-c3ccccc3S2)cc1 ZINC000038468737 563097830 /nfs/dbraw/zinc/09/78/30/563097830.db2.gz QLHOJFHGOIVGEG-UHFFFAOYSA-N 0 0 426.497 5.669 1 0 IKAFRN O=C([O-])c1cccc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)c1 ZINC000038560750 563098065 /nfs/dbraw/zinc/09/80/65/563098065.db2.gz TUVSIMUHFGGVNU-URXFXBBRSA-N 0 0 437.923 5.011 1 0 IKAFRN CCNC(=O)O/N=C1/C=C2CC[C@H]3[C@H]4CC[C@H](OC(=O)NCC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000038802134 563098348 /nfs/dbraw/zinc/09/83/48/563098348.db2.gz ODSCMQMBEHYDCG-QICYFACRSA-N 0 0 445.604 5.166 1 0 IKAFRN CO[C@H]1C(=O)c2c(O)c3c(c(CC=C(C)C)c2O[C@@H]1c1ccccc1O)OC(C)(C)C=C3 ZINC000038840351 563098442 /nfs/dbraw/zinc/09/84/42/563098442.db2.gz ZQNJQIORXQNFHJ-RPBOFIJWSA-N 0 0 436.504 5.122 1 0 biogenic,in-vitro IKAFRN c1cnc2c(c1)cccc2SCc1cccc(CSc2cccc3cccnc32)n1 ZINC000039223727 563098889 /nfs/dbraw/zinc/09/88/89/563098889.db2.gz LUBCIDUIGUDCDE-UHFFFAOYSA-N 0 0 425.582 6.763 1 0 IKAFRN O=C(O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000039233051 563098904 /nfs/dbraw/zinc/09/89/04/563098904.db2.gz GTJGKVOCMBQPQR-KRWDZBQOSA-N 0 0 430.118 6.095 1 0 IKAFRN COC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000039242744 563098986 /nfs/dbraw/zinc/09/89/86/563098986.db2.gz VBVJIZMLHIEGFF-HXUWFJFHSA-N 0 0 436.813 6.444 1 0 IKAFRN COC(=O)[C@@H](Oc1cc(C)c(Cl)c(C)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242694 563098990 /nfs/dbraw/zinc/09/89/90/563098990.db2.gz GBDCQVBAHSILIW-QFIPXVFZSA-N 0 0 431.315 6.696 1 0 IKAFRN COC(=O)[C@@H](Oc1cccc(C(C)(C)C)c1)c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000039242756 563099006 /nfs/dbraw/zinc/09/90/06/563099006.db2.gz CUDZSOAEQZVUEF-SANMLTNESA-N 0 0 446.587 7.367 1 0 IKAFRN O=C(NC1CCCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040380232 563099555 /nfs/dbraw/zinc/09/95/55/563099555.db2.gz OTWNRERSJLONOB-UHFFFAOYSA-N 0 0 448.781 6.562 1 0 IKAFRN Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(/C=C/c3ccccc3)s2)cc1 ZINC000040380564 563099714 /nfs/dbraw/zinc/09/97/14/563099714.db2.gz YVLXZUIHCLCSJY-YTEMWHBBSA-N 0 0 448.551 5.886 1 0 IKAFRN CNC(=O)c1c(C)c2c(c(C(=O)NC)c1-c1ccccc1Cl)Nc1ccccc1S2 ZINC000040392628 563099934 /nfs/dbraw/zinc/09/99/34/563099934.db2.gz LWLKPLCGQDUABA-UHFFFAOYSA-N 0 0 437.952 5.243 1 0 IKAFRN Clc1ccc(OCc2nnc3n2CCN3c2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000040392291 563099957 /nfs/dbraw/zinc/09/99/57/563099957.db2.gz VGJDEBWUCIBHQH-UHFFFAOYSA-N 0 0 430.122 5.622 1 0 IKAFRN COc1cccc(Nc2ncnc3ccc(NC(=O)Nc4cccc(C(C)=O)c4)cc32)c1 ZINC000040392788 563100034 /nfs/dbraw/zinc/10/00/34/563100034.db2.gz ZECCXNZTZYMXQE-UHFFFAOYSA-N 0 0 427.464 5.229 1 0 IKAFRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5C(=O)C[C@]43C)[C@H]2C1 ZINC000040393092 563100134 /nfs/dbraw/zinc/10/01/34/563100134.db2.gz JOZYDRGQGVTMSG-QCUCWRLJSA-N 0 0 440.712 7.348 1 0 IKAFRN COc1cc(Nc2nccc(Nc3cc(C)[nH]n3)n2)ccc1-c1nc2ccccc2s1 ZINC000040393135 563100150 /nfs/dbraw/zinc/10/01/50/563100150.db2.gz HSMLVQPVLGLUCI-UHFFFAOYSA-N 0 0 429.509 5.281 1 0 IKAFRN CCOc1ccc(Cc2nc3cc(N(C)C(=O)N(CC)CC)ccc3n2CC2CC2)cc1 ZINC000040393944 563100277 /nfs/dbraw/zinc/10/02/77/563100277.db2.gz HBNYOCFTGWIISU-UHFFFAOYSA-N 0 0 434.584 5.334 1 0 IKAFRN CCO[P@@](=O)(CC)Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 ZINC000040394744 563100568 /nfs/dbraw/zinc/10/05/68/563100568.db2.gz KFGDGDXWTSPQRB-NDEPHWFRSA-N 0 0 428.494 6.084 1 0 IKAFRN Cc1cc(NC(=O)c2cccc(Cl)c2)c2cc(NC(=O)Nc3cccc(F)c3)ccc2n1 ZINC000040401948 563100890 /nfs/dbraw/zinc/10/08/90/563100890.db2.gz VWUKMXKAMXGSFZ-UHFFFAOYSA-N 0 0 448.885 6.232 1 0 IKAFRN COc1ccc2c(c1)[C@H](CCNC(=O)C1CCC1)C[C@@H](c1cccc(C(F)(F)F)c1)C2 ZINC000040402772 563100978 /nfs/dbraw/zinc/10/09/78/563100978.db2.gz NOOANLAIFQUGKS-UXHICEINSA-N 0 0 431.498 5.834 1 0 IKAFRN Cc1ccc(NC(=O)c2ccnc(NC3CC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000040403167 563101085 /nfs/dbraw/zinc/10/10/85/563101085.db2.gz RRNUATGYKVGOAR-UHFFFAOYSA-N 0 0 440.547 5.023 1 0 IKAFRN CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3ccc(C(F)(F)F)cc32)on1 ZINC000040403909 563101113 /nfs/dbraw/zinc/10/11/13/563101113.db2.gz PICOXPRURKEJJL-UHFFFAOYSA-N 0 0 434.292 5.016 1 0 IKAFRN CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3cc(C(F)(F)F)ccc32)on1 ZINC000040404564 563101170 /nfs/dbraw/zinc/10/11/70/563101170.db2.gz KAWKKYYFZUQPLF-UHFFFAOYSA-N 0 0 434.292 5.016 1 0 IKAFRN CC(C)[C@H](C)C[C@@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040411239 563101803 /nfs/dbraw/zinc/10/18/03/563101803.db2.gz PKESXWKAOMUZDM-LEMXWWIZSA-N 0 0 430.673 5.785 1 0 IKAFRN O=C([O-])C[C@H]1CCn2c3cc[nH+]c(C4CC4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040411401 563101806 /nfs/dbraw/zinc/10/18/06/563101806.db2.gz CKSFQUBFLPPBLA-GFCCVEGCSA-N 0 0 433.360 6.334 1 0 IKAFRN Cc1c(-c2nnc(C(C)(C)C)o2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1 ZINC000040412432 563101887 /nfs/dbraw/zinc/10/18/87/563101887.db2.gz PRFQYDZLFSZSHV-UHFFFAOYSA-N 0 0 427.335 6.502 1 0 IKAFRN COc1ccc([C@@H]2[C@@H](CCC(=O)Nc3ccc(C)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000040420388 563102109 /nfs/dbraw/zinc/10/21/09/563102109.db2.gz WCHQWYMHYFMUGY-AOYPEHQESA-N 0 0 444.531 5.135 1 0 IKAFRN CO[C@@H]1c2cc(OC(C)=O)c(OC(C)=O)cc2O[C@@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 ZINC000040421047 563102273 /nfs/dbraw/zinc/10/22/73/563102273.db2.gz CCKHCTFPKJBONS-GDKKAJJHSA-N 0 0 444.568 5.618 1 0 IKAFRN CC(C)[C@H](CO)Nc1nc2c(ncn2C(C)C)c(Nc2ccc(-c3ccccc3)cc2)n1 ZINC000040422050 563102344 /nfs/dbraw/zinc/10/23/44/563102344.db2.gz OXCMTXGIYFYLLY-NRFANRHFSA-N 0 0 430.556 5.247 1 0 IKAFRN Cc1c(C(=O)N[C@H](C)COc2ccccc2)cnc2c(-c3ccc(C(C)C)cc3)cnn21 ZINC000040421666 563102357 /nfs/dbraw/zinc/10/23/57/563102357.db2.gz DJSWNINDPRRCLC-GOSISDBHSA-N 0 0 428.536 5.025 1 0 in-vitro IKAFRN Cc1ccccc1[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)NC2CCCCCC2)CC1 ZINC000040423649 563102653 /nfs/dbraw/zinc/10/26/53/563102653.db2.gz AMOQRGVXFGDBST-RUZDIDTESA-N 0 0 440.031 5.788 1 0 IKAFRN Cc1cc(C)c([C@@H]2CC(c3ccccc3)=NN2c2nc3nc4ccccc4nc3s2)c(C)c1 ZINC000040423463 563102657 /nfs/dbraw/zinc/10/26/57/563102657.db2.gz KMCDQUALEDCCQA-QHCPKHFHSA-N 0 0 449.583 6.520 1 0 IKAFRN Cc1cc(C)c([C@H]2CC(c3ccccc3)=NN2c2nc3nc4ccccc4nc3s2)c(C)c1 ZINC000040423464 563102716 /nfs/dbraw/zinc/10/27/16/563102716.db2.gz KMCDQUALEDCCQA-HSZRJFAPSA-N 0 0 449.583 6.520 1 0 IKAFRN Cc1ncoc1CN1CCN(c2cccc3[nH]c(-c4ccc(C(C)(C)C)cc4)nc32)CC1 ZINC000040423698 563102741 /nfs/dbraw/zinc/10/27/41/563102741.db2.gz CRGWNCVWUAJNON-UHFFFAOYSA-N 0 0 429.568 5.146 1 0 IKAFRN Cc1ccc(C)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000040423676 563102746 /nfs/dbraw/zinc/10/27/46/563102746.db2.gz RHLZTJUJQAJXKG-XMMPIXPASA-N 0 0 427.504 5.362 1 0 IKAFRN CCn1c2ccccc2c2cc(NC(=O)CCc3cc(-c4ccccc4F)no3)ccc21 ZINC000040424409 563102945 /nfs/dbraw/zinc/10/29/45/563102945.db2.gz QCYIKNZWXJIYAF-UHFFFAOYSA-N 0 0 427.479 6.180 1 0 IKAFRN COc1ccc(Br)cc1[C@H]1Sc2ccc(C(F)(F)F)cc2N(C)C1=O ZINC000040424381 563102992 /nfs/dbraw/zinc/10/29/92/563102992.db2.gz LJVSNRFQDYECPE-OAHLLOKOSA-N 0 0 432.261 5.286 1 0 IKAFRN c1ccc(CCc2cc(SCc3ccccc3)nc(SCc3ccccc3)n2)cc1 ZINC000040429794 563103224 /nfs/dbraw/zinc/10/32/24/563103224.db2.gz CNSVKHMSHQQXIY-UHFFFAOYSA-N 0 0 428.626 6.846 1 0 IKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C/C(=N\O)C4=C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000040457098 563103791 /nfs/dbraw/zinc/10/37/91/563103791.db2.gz RXVIHDNLTKWAIL-QXUITCLQSA-N 0 0 431.661 5.800 1 0 IKAFRN CCOC(=O)[C@H](C(C)C)N1C(=O)[C@@H](C)S[C@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000040475138 563104079 /nfs/dbraw/zinc/10/40/79/563104079.db2.gz ZZHAMFBGKAHKHC-LZGLPUDESA-N 0 0 438.593 5.365 1 0 IKAFRN O=c1cc(-c2ccc(-c3ccc4oc(-c5ccccc5)cc(=O)c4c3)cc2)oc2ccccc12 ZINC000040563827 563104616 /nfs/dbraw/zinc/10/46/16/563104616.db2.gz YQQFWTHRAHFRMC-UHFFFAOYSA-N 0 0 442.470 6.900 1 0 in-vivo IKAFRN COc1cc(/C=C/Cc2cc3sc(-c4ccccc4)cc3c(O)c2)cc(OC)c1OC ZINC000040566158 563104877 /nfs/dbraw/zinc/10/48/77/563104877.db2.gz VSJSGPGUQAILOZ-VQHVLOKHSA-N 0 0 432.541 6.556 1 0 IKAFRN COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3ccc4ncsc4c3)c1NC2 ZINC000040567649 563105047 /nfs/dbraw/zinc/10/50/47/563105047.db2.gz UCVXDRJGLPEHFY-UHFFFAOYSA-N 0 0 437.550 5.232 1 0 IKAFRN C[C@H](C[NH2+]CCCCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040576285 563105284 /nfs/dbraw/zinc/10/52/84/563105284.db2.gz QSKIHUNBYZFLGI-VDPKLVTDSA-N 0 0 431.661 5.407 1 0 IKAFRN CCCCc1nc([C@H](C)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n(CCCC)n1 ZINC000040639248 563105753 /nfs/dbraw/zinc/10/57/53/563105753.db2.gz REJXIIHCBYNERW-GOSISDBHSA-N 0 0 429.572 5.420 1 0 IKAFRN COc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 ZINC000040763453 563106447 /nfs/dbraw/zinc/10/64/47/563106447.db2.gz MUSDNMUEOVYGKB-JTHBVZDNSA-N 0 0 444.984 5.082 1 0 IKAFRN CSc1ccc(Cc2nn(-c3ccc(Br)cc3)c(=O)c3ccccc32)cc1 ZINC000040764015 563106454 /nfs/dbraw/zinc/10/64/54/563106454.db2.gz UOKYKGYKIXKESB-UHFFFAOYSA-N 0 0 437.362 5.461 1 0 IKAFRN Cc1ccc([C@@]2(O)[C@H](c3ccc(Cl)cc3)C[C@H]3C(=O)c4ccccc4NC(=O)[C@@H]32)cc1 ZINC000040764009 563106511 /nfs/dbraw/zinc/10/65/11/563106511.db2.gz VWCFBESTKYSBSH-KNZHSQOXSA-N 0 0 431.919 5.091 1 0 IKAFRN CC(C)(C)n1c(Nc2ccccc2Cl)nc2cnc(Nc3c(F)cccc3F)nc21 ZINC000040766692 563106630 /nfs/dbraw/zinc/10/66/30/563106630.db2.gz FMVGFHSVGJBSDK-UHFFFAOYSA-N 0 0 428.874 6.000 1 0 IKAFRN CCCCn1c(Nc2ccccc2Cl)nc2cnc(Nc3c(F)cccc3F)nc21 ZINC000040767007 563106693 /nfs/dbraw/zinc/10/66/93/563106693.db2.gz LCTBKMMZQPKPAK-UHFFFAOYSA-N 0 0 428.874 6.045 1 0 IKAFRN O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000040791301 563106774 /nfs/dbraw/zinc/10/67/74/563106774.db2.gz NVMIPOOAPIJFSG-NRFANRHFSA-N 0 0 440.543 5.456 1 0 IKAFRN COc1oc(=O)c2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc2c1Cl ZINC000040801608 563106831 /nfs/dbraw/zinc/10/68/31/563106831.db2.gz QAZBBZYTIAYHMG-UHFFFAOYSA-N 0 0 433.891 5.616 1 0 IKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C/C(=N\O)C4=C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000040810679 563106911 /nfs/dbraw/zinc/10/69/11/563106911.db2.gz RXVIHDNLTKWAIL-CIRZCMOLSA-N 0 0 431.661 5.800 1 0 IKAFRN C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@@](=O)c1ccccc1 ZINC000040818283 563107030 /nfs/dbraw/zinc/10/70/30/563107030.db2.gz QWMGYYFZIHRGPX-AZGXQMFKSA-N 0 0 443.008 5.216 1 0 IKAFRN Clc1ccc(Sc2ncnc3ncn([C@@H]4COc5ccccc5CO4)c32)c(Cl)c1 ZINC000040833753 563107076 /nfs/dbraw/zinc/10/70/76/563107076.db2.gz NMHGZARKJNKYOQ-KRWDZBQOSA-N 0 0 445.331 5.392 1 0 IKAFRN NC(=S)N1N=C(c2cccc(Br)c2)C[C@H]1c1cccc(Cl)c1Cl ZINC000040834337 563107193 /nfs/dbraw/zinc/10/71/93/563107193.db2.gz RWXHIDWNUCEXAN-AWEZNQCLSA-N 0 0 429.170 5.151 1 0 IKAFRN CCOC(=O)c1c(-c2ccc(C)cc2)cc(-c2ccccc2)nc1Nc1ccc(Cl)cc1 ZINC000040846331 563107422 /nfs/dbraw/zinc/10/74/22/563107422.db2.gz DBYKBNFAIMMEHL-UHFFFAOYSA-N 0 0 442.946 7.298 1 0 IKAFRN Cc1cccc(Cl)c1/C=C/n1cnc2c1ncnc2Nc1ccc(P(C)(C)=O)cc1 ZINC000040847968 563107693 /nfs/dbraw/zinc/10/76/93/563107693.db2.gz MLLBPOJSIGXWLG-VAWYXSNFSA-N 0 0 437.871 5.408 1 0 IKAFRN CCCCCC[C@H](Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)OCC ZINC000040863405 563108437 /nfs/dbraw/zinc/10/84/37/563108437.db2.gz GJJDMFOJAUUPSS-SFHVURJKSA-N 0 0 436.021 6.485 1 0 IKAFRN Cc1cc(C(=O)[O-])ccc1-c1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)CC2 ZINC000040863642 563108473 /nfs/dbraw/zinc/10/84/73/563108473.db2.gz IAHJITSEABYJCG-ZCYQVOJMSA-N 0 0 435.951 5.194 1 0 IKAFRN CCCCC(=O)c1ccc(OC(F)F)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000040863959 563108542 /nfs/dbraw/zinc/10/85/42/563108542.db2.gz CYAGNRWQAXGUQG-UHFFFAOYSA-N 0 0 427.488 5.439 1 0 IKAFRN CCN(CC)C(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c(Cl)cccc43)c2)c1 ZINC000040865301 563108628 /nfs/dbraw/zinc/10/86/28/563108628.db2.gz KWHJGYSZNVMWPZ-UHFFFAOYSA-N 0 0 444.962 7.138 1 0 IKAFRN CCCC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)NC1CCCCC1 ZINC000040865954 563108706 /nfs/dbraw/zinc/10/87/06/563108706.db2.gz IWCYUGVZRFNYJU-QHCPKHFHSA-N 0 0 449.620 5.486 1 0 IKAFRN CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000040866344 563108778 /nfs/dbraw/zinc/10/87/78/563108778.db2.gz HZGNKWDCTLABNM-GOSISDBHSA-N 0 0 439.865 5.014 1 0 IKAFRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CCNc2ncnc3ccsc32)cc1 ZINC000040866311 563108792 /nfs/dbraw/zinc/10/87/92/563108792.db2.gz JMCRLXRZTYCGFU-UHFFFAOYSA-N 0 0 442.466 5.617 1 0 IKAFRN COC(=O)CC[C@@H]1C(=C(C)C)CC[C@H]2[C@@]1(C)CC[C@H](C)[C@]2(C)Cc1cc(O)cc(C)c1O ZINC000040872706 563109016 /nfs/dbraw/zinc/10/90/16/563109016.db2.gz WEOSAKSJMIITOA-ABYCQCASSA-N 0 0 442.640 6.707 1 0 IKAFRN C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(F)c1 ZINC000040873719 563109182 /nfs/dbraw/zinc/10/91/82/563109182.db2.gz BPFKKKXJXMTOMR-OGKKXEKVSA-N 0 0 441.631 6.601 1 0 IKAFRN CO[C@@H](/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)[C@H](O)C=C(C)C ZINC000040874150 563109257 /nfs/dbraw/zinc/10/92/57/563109257.db2.gz HIGHTOPFNURUCC-GQQLEHRLSA-N 0 0 442.640 6.579 1 0 IKAFRN CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@]3(C)CC[C@@]12C ZINC000040874269 563109268 /nfs/dbraw/zinc/10/92/68/563109268.db2.gz GGZKGYNMLKSNIH-VHOPJRGESA-N 0 0 440.756 8.725 1 0 IKAFRN Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1cccs1 ZINC000040875167 563109348 /nfs/dbraw/zinc/10/93/48/563109348.db2.gz PNDOAVAJDVVHRR-UHFFFAOYSA-N 0 0 435.380 5.347 1 0 IKAFRN Cc1[nH]c(C)c(C(F)(F)F)c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000040874552 563109350 /nfs/dbraw/zinc/10/93/50/563109350.db2.gz OUAOLFABQISEAI-UHFFFAOYSA-N 0 0 443.343 6.368 1 0 IKAFRN CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c2nncn21 ZINC000040875027 563109360 /nfs/dbraw/zinc/10/93/60/563109360.db2.gz WVDJTKNTFJTWOV-UHFFFAOYSA-N 0 0 448.357 6.611 1 0 IKAFRN Cc1cc(NC(=O)c2ccccc2Cl)c2cc(NC(=O)Nc3cccc(F)c3)ccc2n1 ZINC000040876529 563109462 /nfs/dbraw/zinc/10/94/62/563109462.db2.gz LFVKKVGFJDGBIL-UHFFFAOYSA-N 0 0 448.885 6.232 1 0 IKAFRN O=C(NCCc1ccc(OCc2ccccc2)cc1)[C@H](O)CCC12CC3CC(CC(C3)C1)C2 ZINC000040892561 563110053 /nfs/dbraw/zinc/11/00/53/563110053.db2.gz VJIVWPKGAIMUEM-GUBUMGFBSA-N 0 0 447.619 5.282 1 0 IKAFRN CC(C)(C)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc32)cc1 ZINC000040896597 563110473 /nfs/dbraw/zinc/11/04/73/563110473.db2.gz HYDWRFYEYGBVQS-UHFFFAOYSA-N 0 0 444.391 7.178 1 0 IKAFRN CC(C)c1c(Cc2c(Cl)cccc2Cl)nc(SCC(=O)c2ccccc2)[nH]c1=O ZINC000040896592 563110477 /nfs/dbraw/zinc/11/04/77/563110477.db2.gz YKXRHFFWXMPWOR-UHFFFAOYSA-N 0 0 447.387 5.766 1 0 IKAFRN O=C(Nc1ncc(CCNc2ncnc3ccsc32)s1)c1cccc(C(F)(F)F)c1 ZINC000040896907 563110596 /nfs/dbraw/zinc/11/05/96/563110596.db2.gz MRNNDSLOABKQKF-UHFFFAOYSA-N 0 0 449.483 5.074 1 0 IKAFRN CC1(C)Oc2ccc(C(=O)c3ccccc3)cc2[C@@H](Nc2noc3ccc(Cl)cc32)[C@@H]1O ZINC000040898936 563110852 /nfs/dbraw/zinc/11/08/52/563110852.db2.gz YXXXHZMGPOOMLE-GGAORHGYSA-N 0 0 448.906 5.397 1 0 IKAFRN NC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000040900482 563110949 /nfs/dbraw/zinc/11/09/49/563110949.db2.gz HEIAXSCVUDVDSX-GGXMVOPNSA-N 0 0 431.539 5.071 1 0 IKAFRN COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)n1ccc2ccccc21 ZINC000040900818 563111018 /nfs/dbraw/zinc/11/10/18/563111018.db2.gz PBRBZXPUQSWKJE-DEOSSOPVSA-N 0 0 443.344 6.598 1 0 IKAFRN O=C(Nc1ccc2oc(Cc3ccc(Br)cc3)nc2c1)c1cc2ccccc2o1 ZINC000040917165 563111534 /nfs/dbraw/zinc/11/15/34/563111534.db2.gz HMBMBOASMHPNEG-UHFFFAOYSA-N 0 0 447.288 6.180 1 0 IKAFRN Cc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000040918620 563111850 /nfs/dbraw/zinc/11/18/50/563111850.db2.gz GZGRGXPFYDFNHF-UHFFFAOYSA-N 0 0 440.587 6.352 1 0 IKAFRN CN1C[C@H](C[NH+](C)C)n2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccccc21 ZINC000040933475 563112202 /nfs/dbraw/zinc/11/22/02/563112202.db2.gz COOXYNPVPROHKZ-FQEVSTJZSA-N 0 0 431.580 5.607 1 0 IKAFRN COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(Nc2ccccc2)c1 ZINC000040933249 563112204 /nfs/dbraw/zinc/11/22/04/563112204.db2.gz SEAFXFMGEABCIG-UHFFFAOYSA-N 0 0 434.540 5.863 1 0 IKAFRN CCCCCc1ccc2[nH]c(-c3ccccc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040934228 563112364 /nfs/dbraw/zinc/11/23/64/563112364.db2.gz BGSDLXXDDXGAGO-UHFFFAOYSA-N 0 0 437.337 5.330 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Oc1cc(OC)ccc1C ZINC000040934697 563112488 /nfs/dbraw/zinc/11/24/88/563112488.db2.gz HYYZFCDIAFOHIL-DEOSSOPVSA-N 0 0 431.576 6.655 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1ccccc1C(N)=O ZINC000040935171 563112646 /nfs/dbraw/zinc/11/26/46/563112646.db2.gz AYDHVJYCWGENRJ-OAQYLSRUSA-N 0 0 429.564 5.470 1 0 IKAFRN CCCCN(CCCC)C(=O)C1=C(C)Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000040936035 563112752 /nfs/dbraw/zinc/11/27/52/563112752.db2.gz RMEMYXFOBLZUSU-OAQYLSRUSA-N 0 0 435.399 5.908 1 0 IKAFRN O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cnccc1Cl ZINC000040938319 563113129 /nfs/dbraw/zinc/11/31/29/563113129.db2.gz KQJKUMRTDGBAER-UHFFFAOYSA-N 0 0 434.727 5.211 1 0 IKAFRN Cc1cc(Sc2ccc(Cl)cc2)c2ncc(CSCCc3ccccc3)n2c1 ZINC000040938546 563113232 /nfs/dbraw/zinc/11/32/32/563113232.db2.gz DEASUYAJJQQLSS-UHFFFAOYSA-N 0 0 425.022 6.923 1 0 IKAFRN CC[C@H](Cn1nc(C(F)(F)F)cc1C1CCCC1)OC(=O)Nc1ccc(F)cc1F ZINC000040943666 563113614 /nfs/dbraw/zinc/11/36/14/563113614.db2.gz DCSXZSHAQIFCPE-CQSZACIVSA-N 0 0 431.405 5.865 1 0 IKAFRN O=C1O[C@H](O)C(c2cccc(-c3ccc4ccccc4c3)c2)=C1c1ccc2ccccc2c1 ZINC000040949487 563113711 /nfs/dbraw/zinc/11/37/11/563113711.db2.gz AXWQJVPOSBAMCI-LJAQVGFWSA-N 0 0 428.487 6.446 1 0 IKAFRN CCCCc1ccc(C2=C(c3ccc(-c4ccc(CCCC)cc4)cc3)[C@H](O)OC2=O)cc1 ZINC000040949485 563113742 /nfs/dbraw/zinc/11/37/42/563113742.db2.gz KGAUNNJHCDNQKQ-SSEXGKCCSA-N 0 0 440.583 6.825 1 0 IKAFRN CC(C)c1ccccc1[C@H]1CC(c2ccccc2)=NN1c1nc2nc3ccccc3nc2s1 ZINC000040950798 563113885 /nfs/dbraw/zinc/11/38/85/563113885.db2.gz VSIQULLFFFZAOL-XMMPIXPASA-N 0 0 449.583 6.719 1 0 IKAFRN CC(C)c1ccccc1[C@@H]1CC(c2ccccc2)=NN1c1nc2nc3ccccc3nc2s1 ZINC000040950796 563113942 /nfs/dbraw/zinc/11/39/42/563113942.db2.gz VSIQULLFFFZAOL-DEOSSOPVSA-N 0 0 449.583 6.719 1 0 IKAFRN CCCCN(Cc1cccc(CCO)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000040952656 563114173 /nfs/dbraw/zinc/11/41/73/563114173.db2.gz YGEIBYBALYPULP-UHFFFAOYSA-N 0 0 449.435 5.340 1 0 IKAFRN CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1ccc(Cl)cc1N2c1ccccc1C ZINC000040954666 563114468 /nfs/dbraw/zinc/11/44/68/563114468.db2.gz IZIMONFTVJLQCV-UHFFFAOYSA-N 0 0 448.953 5.085 1 0 IKAFRN O=C1N=C(NC2CCCCC2)C2(CCN(c3ccc(F)cc3)CC2)N1c1cccc(F)c1 ZINC000040955692 563114685 /nfs/dbraw/zinc/11/46/85/563114685.db2.gz ZWOBSDHHHCJSBJ-UHFFFAOYSA-N 0 0 438.522 5.265 1 0 IKAFRN O=C(Nc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1)c1ccccc1F ZINC000040955665 563114688 /nfs/dbraw/zinc/11/46/88/563114688.db2.gz CXSXAZUQNDUUFW-UHFFFAOYSA-N 0 0 433.418 5.200 1 0 IKAFRN O=C(OCc1cccc(Cl)c1)c1cc(CO)cc(C(=O)OCc2cccc(Cl)c2)c1 ZINC000040956385 563114761 /nfs/dbraw/zinc/11/47/61/563114761.db2.gz GDJMEKGQFIQOJX-UHFFFAOYSA-N 0 0 445.298 5.200 1 0 IKAFRN CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO ZINC000040973338 563115055 /nfs/dbraw/zinc/11/50/55/563115055.db2.gz IWHGIUPHPWHJHD-XEBFZVLZSA-N 0 0 432.689 6.176 1 0 IKAFRN CC(=O)Nc1cccc2c(Oc3cc(NC(=O)c4ccncc4Cl)ccc3C)ccnc12 ZINC000040974142 563115092 /nfs/dbraw/zinc/11/50/92/563115092.db2.gz ZWROPTZISBQHIH-UHFFFAOYSA-N 0 0 446.894 5.595 1 0 IKAFRN CC1(C)C[C@@H](NC(=S)Nc2cccc(Cl)c2)c2cc(Br)ccc2O1 ZINC000040975210 563115191 /nfs/dbraw/zinc/11/51/91/563115191.db2.gz SBLLOSAMWVFIDV-OAHLLOKOSA-N 0 0 425.779 5.691 1 0 IKAFRN CC1(C)C[C@H](NC(=S)Nc2cccc(Cl)c2)c2cc(Br)ccc2O1 ZINC000040975209 563115214 /nfs/dbraw/zinc/11/52/14/563115214.db2.gz SBLLOSAMWVFIDV-HNNXBMFYSA-N 0 0 425.779 5.691 1 0 IKAFRN COC(=O)c1ccc(NCc2cncn2Cc2cccc(Cl)c2)cc1-c1ccccc1 ZINC000040975695 563115302 /nfs/dbraw/zinc/11/53/02/563115302.db2.gz FZGAUMSBJSEVJL-UHFFFAOYSA-N 0 0 431.923 5.651 1 0 IKAFRN CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccccc4F)co3)ccc21 ZINC000040976027 563115369 /nfs/dbraw/zinc/11/53/69/563115369.db2.gz QUFMLWDZQZQXLQ-UHFFFAOYSA-N 0 0 427.479 6.180 1 0 IKAFRN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040979192 563115463 /nfs/dbraw/zinc/11/54/63/563115463.db2.gz JGAOGTQFPHFFEP-UHFFFAOYSA-N 0 0 438.176 5.832 1 0 IKAFRN CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OCC3CC3)cc1)n2CCC(C)C ZINC000040981268 563115663 /nfs/dbraw/zinc/11/56/63/563115663.db2.gz CXNZYHMSULMVGD-UHFFFAOYSA-N 0 0 447.623 5.944 1 0 IKAFRN CC(C)[C@@H](C)[C@]1(C)C[C@@H]1[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000042887965 563115915 /nfs/dbraw/zinc/11/59/15/563115915.db2.gz YRPMZHRSQIFCLR-MXUHDLKRSA-N 0 0 426.729 7.881 1 0 IKAFRN Clc1ccc(-c2nc3sc(Cc4noc5ccccc54)nn3c2Br)cc1 ZINC000043017177 563116935 /nfs/dbraw/zinc/11/69/35/563116935.db2.gz DJBBBUSZSOCYMO-UHFFFAOYSA-N 0 0 445.729 5.606 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1cccc(OC)c1 ZINC000043020530 563117195 /nfs/dbraw/zinc/11/71/95/563117195.db2.gz NHKSMDSAHHJEBL-ZKWNWVNESA-N 0 0 437.668 7.500 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccccc1OC ZINC000043025302 563117480 /nfs/dbraw/zinc/11/74/80/563117480.db2.gz GKCWPCLQCFAVCZ-ZKWNWVNESA-N 0 0 437.668 7.500 1 0 IKAFRN CC1(C)C=Cc2c(-c3cc4ccccc4s3)cc3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000043059981 563117517 /nfs/dbraw/zinc/11/75/17/563117517.db2.gz VLIODZQIXMLCOW-UHFFFAOYSA-N 0 0 436.532 7.526 1 0 IKAFRN C[C@H](Cc1ccccc1)n1c(=O)c2c(ccnc2C(F)(F)F)nc1-c1cccc(F)c1O ZINC000043060725 563117670 /nfs/dbraw/zinc/11/76/70/563117670.db2.gz YKNQKXABYUNGOK-CYBMUJFWSA-N 0 0 443.400 5.126 1 0 IKAFRN CCCCCc1c(C)c(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)O[C@H]2CCCC ZINC000043063071 563117754 /nfs/dbraw/zinc/11/77/54/563117754.db2.gz PPWLKKHPVRDTIR-NRFANRHFSA-N 0 0 428.525 6.342 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCCCCCC3)n2)cc1 ZINC000043065524 563117806 /nfs/dbraw/zinc/11/78/06/563117806.db2.gz OKBDKOSLCRZSLD-UHFFFAOYSA-N 0 0 428.476 5.058 1 0 IKAFRN COc1ccc2cc(C(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)ccc2c1 ZINC000043076679 563118328 /nfs/dbraw/zinc/11/83/28/563118328.db2.gz RQDMDMIVEPJOKQ-UHFFFAOYSA-N 0 0 442.462 6.167 1 0 IKAFRN O=C1CSC(N2N=C(c3ccccc3)C[C@@H]2c2ccc(OCc3ccccc3)cc2)=N1 ZINC000043079791 563118507 /nfs/dbraw/zinc/11/85/07/563118507.db2.gz KNJOUWDAWPWWPJ-HSZRJFAPSA-N 0 0 427.529 5.046 1 0 IKAFRN Cc1cccc(C(=O)c2[nH]c(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)c1C ZINC000043101991 563118620 /nfs/dbraw/zinc/11/86/20/563118620.db2.gz OWIDLTDOZSLENB-UHFFFAOYSA-N 0 0 425.488 5.003 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2cnc(Cc3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1 ZINC000043119110 563118648 /nfs/dbraw/zinc/11/86/48/563118648.db2.gz IHVOKFSTLXFPQC-UHFFFAOYSA-N 0 0 436.483 5.083 1 0 IKAFRN COc1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2[C@@H]2CCCN2C(C)=O)cc1 ZINC000043120143 563118720 /nfs/dbraw/zinc/11/87/20/563118720.db2.gz GRQKQQXHGYBBAJ-QHCPKHFHSA-N 0 0 428.492 5.109 1 0 IKAFRN C=Cc1cc(CNC(=S)CCc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O ZINC000043132138 563119089 /nfs/dbraw/zinc/11/90/89/563119089.db2.gz JEBWUGHHPFDUQJ-UHFFFAOYSA-N 0 0 430.639 5.048 1 0 IKAFRN O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn32)c1 ZINC000043197027 563119257 /nfs/dbraw/zinc/11/92/57/563119257.db2.gz BCAIAJFLSCRMPZ-UHFFFAOYSA-N 0 0 428.389 5.491 1 0 IKAFRN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1ccc(OC(C)C)nc1 ZINC000043202426 563119423 /nfs/dbraw/zinc/11/94/23/563119423.db2.gz KHTOJAKOSMDONB-UHFFFAOYSA-N 0 0 436.295 5.888 1 0 IKAFRN Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cc(-c3ncccc3F)c2)nc1 ZINC000043204769 563119543 /nfs/dbraw/zinc/11/95/43/563119543.db2.gz PMEILICYJRXCEI-MRXNPFEDSA-N 0 0 430.458 5.283 1 0 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448.574 5.813 1 0 IKAFRN Cc1cccc(-c2cc3cc(Nc4ccnc5cc(-c6nccs6)ccc54)ccc3[nH]2)c1 ZINC000045189681 563123320 /nfs/dbraw/zinc/12/33/20/563123320.db2.gz YGAXZOLXMGSNBP-UHFFFAOYSA-N 0 0 432.552 7.559 1 0 IKAFRN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1 ZINC000045189555 563123340 /nfs/dbraw/zinc/12/33/40/563123340.db2.gz FNCBFJNJDPBZOU-NSYGIPOTSA-N 0 0 443.522 5.412 1 0 IKAFRN C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1 ZINC000045189552 563123345 /nfs/dbraw/zinc/12/33/45/563123345.db2.gz FNCBFJNJDPBZOU-GKVSMKOHSA-N 0 0 443.522 5.412 1 0 IKAFRN C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1 ZINC000045189561 563123370 /nfs/dbraw/zinc/12/33/70/563123370.db2.gz FNCBFJNJDPBZOU-CRICUBBOSA-N 0 0 443.522 5.412 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(C(=O)N5CCCC[C@H]5[C@H](C)O)cc4)c3)nc21 ZINC000045190470 563123490 /nfs/dbraw/zinc/12/34/90/563123490.db2.gz BNMHAFOGEFUKGR-DFBJGRDBSA-N 0 0 439.559 5.581 1 0 IKAFRN NC(=O)c1cccc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)c1 ZINC000045191200 563123699 /nfs/dbraw/zinc/12/36/99/563123699.db2.gz FAFXMWAAFSVQMV-UHFFFAOYSA-N 0 0 438.512 5.310 1 0 IKAFRN CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n(C3CCCCC3)c2c1 ZINC000045195068 563124262 /nfs/dbraw/zinc/12/42/62/563124262.db2.gz QNMBLVODQNTODY-SFHVURJKSA-N 0 0 440.613 5.670 1 0 IKAFRN CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)cn1 ZINC000045201576 563124743 /nfs/dbraw/zinc/12/47/43/563124743.db2.gz WPGPQXMHHZSKCB-UHFFFAOYSA-N 0 0 447.498 5.503 1 0 IKAFRN Cc1noc(C)c1-c1ccc2c(c1)ncc(C(N)=O)c2Nc1ccc(C(F)(F)F)cc1 ZINC000045201148 563124756 /nfs/dbraw/zinc/12/47/56/563124756.db2.gz YBUWPHQILHWMRM-UHFFFAOYSA-N 0 0 426.398 5.368 1 0 IKAFRN CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1c2CN(Cc2ccccc2)CC1 ZINC000045202943 563125213 /nfs/dbraw/zinc/12/52/13/563125213.db2.gz YLMOVOKMDJDMOS-UHFFFAOYSA-N 0 0 433.592 6.305 1 0 IKAFRN Cc1[nH]c(C)c(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c(=O)c1Br ZINC000045211162 563125302 /nfs/dbraw/zinc/12/53/02/563125302.db2.gz UMRCCBTZTCLDST-UHFFFAOYSA-N 0 0 439.136 6.520 1 0 IKAFRN COc1ccc(-c2cc(Nc3nc(-c4cccc(Cl)c4)nc4ccccc43)ccn2)cc1 ZINC000045210209 563125336 /nfs/dbraw/zinc/12/53/36/563125336.db2.gz VVCMMKWMFITLQY-UHFFFAOYSA-N 0 0 438.918 6.764 1 0 IKAFRN CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)C1c1nc2ccc(F)cc2n1C ZINC000045245128 563126388 /nfs/dbraw/zinc/12/63/88/563126388.db2.gz DOWMXECLUTUSBD-HXUWFJFHSA-N 0 0 428.298 5.662 1 0 IKAFRN C[C@@]1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)Nc2ccc(OC(F)(F)F)cc2)=NO1 ZINC000045245167 563126411 /nfs/dbraw/zinc/12/64/11/563126411.db2.gz QXFIRUJDLICTBG-KNKQGSTJSA-N 0 0 432.442 5.632 1 0 IKAFRN CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)C1c1nc2ccc(Cl)cc2n1C ZINC000045245971 563126633 /nfs/dbraw/zinc/12/66/33/563126633.db2.gz AVPYSJFWICKDGZ-FQEVSTJZSA-N 0 0 444.753 6.176 1 0 IKAFRN COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3Cc2ccccc2)c1 ZINC000045245846 563126656 /nfs/dbraw/zinc/12/66/56/563126656.db2.gz WSXCKCWCLWUFKT-UHFFFAOYSA-N 0 0 443.543 6.125 1 0 IKAFRN CC(=O)N[C@@H](C)c1ccc(-c2ccc(Oc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1 ZINC000045252988 563126729 /nfs/dbraw/zinc/12/67/29/563126729.db2.gz RIQQCLOPZLQSKX-FQEVSTJZSA-N 0 0 435.523 6.574 1 0 IKAFRN COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3cc(Cl)cc(Cl)c3)o2)c1C ZINC000045253892 563126935 /nfs/dbraw/zinc/12/69/35/563126935.db2.gz ZXAUTCWYLAZANP-UHFFFAOYSA-N 0 0 435.698 5.867 1 0 IKAFRN CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(=O)c4cn[nH]c4)cc3)cn2)cc1 ZINC000045254314 563127015 /nfs/dbraw/zinc/12/70/15/563127015.db2.gz DEACLVSHQUYFSZ-SFHVURJKSA-N 0 0 442.519 5.544 1 0 IKAFRN O=C1C(=S)N(c2ccc(Br)cc2)C(=O)N1c1ccc2c(c1)Cc1ccccc1-2 ZINC000045254207 563127016 /nfs/dbraw/zinc/12/70/16/563127016.db2.gz QGGCVAPFSNNIFC-UHFFFAOYSA-N 0 0 449.329 5.321 1 0 IKAFRN Cc1ccc2c(c1)nc(N1CCC1)nc2NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000045254734 563127144 /nfs/dbraw/zinc/12/71/44/563127144.db2.gz LRLFSSDGEWJOLP-UHFFFAOYSA-N 0 0 441.510 5.152 1 0 IKAFRN Cc1ccc(S(=O)(=O)NCc2cccc(-c3ccc(-c4cccc(O)c4)s3)c2)cc1 ZINC000045255034 563127239 /nfs/dbraw/zinc/12/72/39/563127239.db2.gz IVCDEBFKHIULLR-UHFFFAOYSA-N 0 0 435.570 5.575 1 0 IKAFRN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NO[C@H](c2ccccc2)C1 ZINC000045255076 563127250 /nfs/dbraw/zinc/12/72/50/563127250.db2.gz MYZOHOYTMJPNBY-SBHAEUEKSA-N 0 0 432.442 5.135 1 0 IKAFRN CC(=O)N[C@H](C)c1ccc(-c2ccc(Oc3ccc(OCc4ccccc4)cc3)nc2)cc1 ZINC000045258903 563127592 /nfs/dbraw/zinc/12/75/92/563127592.db2.gz MPXDACBIPNMNOF-HXUWFJFHSA-N 0 0 438.527 6.317 1 0 IKAFRN C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1csc2ccccc21 ZINC000045260066 563127670 /nfs/dbraw/zinc/12/76/70/563127670.db2.gz GORYZYUNDWMPJM-XCRWMPKNSA-N 0 0 444.575 6.841 1 0 IKAFRN CCC(CC)[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccnn1Cc1ccc(OC)cc1 ZINC000045284670 563128094 /nfs/dbraw/zinc/12/80/94/563128094.db2.gz KNXYSOZGSFSLCT-HSZRJFAPSA-N 0 0 425.960 5.501 1 0 IKAFRN Cc1c(C(=O)Nc2ccc(Cl)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1 ZINC000045285643 563128180 /nfs/dbraw/zinc/12/81/80/563128180.db2.gz UGFQTTONVSTIIC-UHFFFAOYSA-N 0 0 445.737 6.184 1 0 IKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)NC2CCCC2)nn1-c1ccc(Cl)cc1Cl ZINC000045285579 563128181 /nfs/dbraw/zinc/12/81/81/563128181.db2.gz VZADTQBJFLJQCA-UHFFFAOYSA-N 0 0 431.367 5.567 1 0 IKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)Nc2ccc(Cl)cc2)nn1-c1ccc(F)cc1F ZINC000045286081 563128315 /nfs/dbraw/zinc/12/83/15/563128315.db2.gz JOTBLGHJBUWXCN-UHFFFAOYSA-N 0 0 440.881 5.772 1 0 IKAFRN C[C@H](Oc1ccc2ccccc2c1)C(=O)N1N=C(c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000045286381 563128341 /nfs/dbraw/zinc/12/83/41/563128341.db2.gz PZVVVDYEAUYOJD-WTYVLRPYSA-N 0 0 436.511 5.089 1 0 IKAFRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1N=C(c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000045286388 563128364 /nfs/dbraw/zinc/12/83/64/563128364.db2.gz PZVVVDYEAUYOJD-NGOKVRLYSA-N 0 0 436.511 5.089 1 0 IKAFRN C[C@H](c1ccccc1)N1CCC(=O)[C@@]2(C1)ON=C(c1ccc(Cl)cc1)[C@H]2c1ccccc1 ZINC000045286775 563128391 /nfs/dbraw/zinc/12/83/91/563128391.db2.gz UEYSORMHNYKTNT-DSSGHVNRSA-N 0 0 444.962 5.633 1 0 IKAFRN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3n2C)c1 ZINC000045288573 563128599 /nfs/dbraw/zinc/12/85/99/563128599.db2.gz BXBCTGXZEZPKJI-UHFFFAOYSA-N 0 0 444.844 5.868 1 0 IKAFRN CC1=CCC[C@H]2[C@](C)(Cc3cc(O)c(Sc4ccccc4CO)cc3O)CCC[C@]12C ZINC000045290777 563128740 /nfs/dbraw/zinc/12/87/40/563128740.db2.gz ZBGHEHFYLIHYFD-GMQQYTKMSA-N 0 0 438.633 6.837 1 0 IKAFRN COc1ccc(-c2nc(-c3ccccc3F)oc2Sc2ncccn2)c(OC)c1OC ZINC000045289911 563128770 /nfs/dbraw/zinc/12/87/70/563128770.db2.gz RTIMWTYWRUOICM-UHFFFAOYSA-N 0 0 439.468 5.115 1 0 IKAFRN COc1cccc(Nc2ncnc3ccc(NC(=S)Nc4cccc(Cl)c4)cc32)c1 ZINC000045290958 563128855 /nfs/dbraw/zinc/12/88/55/563128855.db2.gz YJCDNFFGUXRWRH-UHFFFAOYSA-N 0 0 435.940 5.844 1 0 IKAFRN COc1cccc(Nc2ncnc3ccc(NC(=S)Nc4ccc(Cl)cc4)cc32)c1 ZINC000045298963 563128958 /nfs/dbraw/zinc/12/89/58/563128958.db2.gz CDTDPXUDXLGCRE-UHFFFAOYSA-N 0 0 435.940 5.844 1 0 IKAFRN O[C@@]1(c2ccccc2)c2cc(Cl)ccc2O[C@@H]1c1nc2c(o1)c(Cl)ccc2Cl ZINC000045302012 563129271 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445.391 5.309 1 0 IKAFRN CCCCC(=O)N[C@H](C)c1ccc(-c2ccc(Oc3ccc(OCCC)cc3)nc2)cc1 ZINC000045318618 563130131 /nfs/dbraw/zinc/13/01/31/563130131.db2.gz ZOBIVUMMPIBCGH-HXUWFJFHSA-N 0 0 432.564 6.697 1 0 IKAFRN CCCCCC(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C ZINC000045320053 563130209 /nfs/dbraw/zinc/13/02/09/563130209.db2.gz VMPGLGQPIADLGS-UHFFFAOYSA-N 0 0 449.639 7.422 1 0 IKAFRN Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)Nc5ccsc5)c4)s3)nc21 ZINC000045321568 563130286 /nfs/dbraw/zinc/13/02/86/563130286.db2.gz VGEVKDOUPOBCKX-UHFFFAOYSA-N 0 0 430.558 6.972 1 0 IKAFRN Cc1onc(-c2ccccc2)c1-c1nc(NCCC(c2ccccc2)c2ccccc2)no1 ZINC000045322894 563130538 /nfs/dbraw/zinc/13/05/38/563130538.db2.gz FMPXGYWRWZEMCW-UHFFFAOYSA-N 0 0 436.515 6.334 1 0 IKAFRN O=C(Nc1ccc(O[C@H]2CCN(Cc3ccco3)C2)c(Cl)c1)c1ccc2ncccc2c1 ZINC000045323004 563130570 /nfs/dbraw/zinc/13/05/70/563130570.db2.gz HUQZWMBICXNIEI-NRFANRHFSA-N 0 0 447.922 5.387 1 0 IKAFRN Cc1ccc2[nH]c(-c3ccccc3Nc3ccnc4cc(-c5nccs5)ccc43)nc2c1 ZINC000045323860 563130724 /nfs/dbraw/zinc/13/07/24/563130724.db2.gz IAEPRKXFLZTZGB-UHFFFAOYSA-N 0 0 433.540 6.954 1 0 IKAFRN C[C@H](O)[C@@H]1CCCCN1C(=O)c1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000045323584 563130819 /nfs/dbraw/zinc/13/08/19/563130819.db2.gz AOGCAGPRZDSHRL-BVZFJXPGSA-N 0 0 425.532 5.272 1 0 IKAFRN CCOc1cc(C(=O)Nc2cccnc2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000045324843 563130856 /nfs/dbraw/zinc/13/08/56/563130856.db2.gz IVCAAKROHFHGIJ-UHFFFAOYSA-N 0 0 427.291 5.583 1 0 IKAFRN C[C@@H](O)[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000045334909 563131157 /nfs/dbraw/zinc/13/11/57/563131157.db2.gz LFLWFUKVHCOBTD-CRICUBBOSA-N 0 0 443.522 5.412 1 0 IKAFRN Cc1ccc(C)c(C(=O)c2[nH]c(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)c1 ZINC000045336631 563131505 /nfs/dbraw/zinc/13/15/05/563131505.db2.gz XUQPQNYDVWURNZ-UHFFFAOYSA-N 0 0 425.488 5.003 1 0 IKAFRN CC(=O)Nc1ccc(OC(=O)c2cc(Cl)ccc2Nc2ccnc(C(F)(F)F)c2)cc1 ZINC000045337430 563131592 /nfs/dbraw/zinc/13/15/92/563131592.db2.gz 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6.256 1 0 IKAFRN CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(Cl)nc21 ZINC000045374300 563133640 /nfs/dbraw/zinc/13/36/40/563133640.db2.gz IQGATJOTVOKJCZ-UHFFFAOYSA-N 0 0 444.934 5.577 1 0 IKAFRN C[C@@H](Oc1ccc2ncc(/C=C/C(=O)N(C)C)cc2c1)c1c(Cl)ccc(F)c1Cl ZINC000045391391 563134081 /nfs/dbraw/zinc/13/40/81/563134081.db2.gz CFSBXICQIRBTLS-QGQQYVBWSA-N 0 0 433.310 5.922 1 0 IKAFRN O=C(Nc1cccnc1)c1c2onc(Nc3cccc(C(F)(F)F)c3)c2ccc1Cl ZINC000045495421 563134329 /nfs/dbraw/zinc/13/43/29/563134329.db2.gz ZKNGADHMFWSYGS-UHFFFAOYSA-N 0 0 432.789 5.891 1 0 IKAFRN Cc1ccc(Oc2cccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)[O-] ZINC000045495825 563134427 /nfs/dbraw/zinc/13/44/27/563134427.db2.gz YMFJEEDRPNEAGN-QHCPKHFHSA-N 0 0 425.912 5.005 1 0 IKAFRN COC(=O)c1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@@]4(CCC(C)(C)C(=O)O4)[C@@]3(C)CC[C@H]21 ZINC000048999205 563135067 /nfs/dbraw/zinc/13/50/67/563135067.db2.gz PKQSLILGQSRLFN-CWASCFFXSA-N 0 0 426.553 5.137 1 0 IKAFRN CCCCCC[C@@H](O)C/C=C\CCCCCCCc1nnc(Nc2ccccc2)s1 ZINC000048999864 563135189 /nfs/dbraw/zinc/13/51/89/563135189.db2.gz JQOPGBMNLIQVHR-QQWLQNCRSA-N 0 0 429.674 7.442 1 0 IKAFRN Clc1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@@H](c5ccc(Cl)cc5)O4)cc3)O2)cc1 ZINC000049031386 563135751 /nfs/dbraw/zinc/13/57/51/563135751.db2.gz IVNQNUYXDNHJCB-VXKWHMMOSA-N 0 0 441.270 5.808 1 0 IKAFRN CCCCC/C=C\C/C=C\CCCCCCCc1c2[nH]c3ccccc3c2cc(O)c1C ZINC000049031823 563135830 /nfs/dbraw/zinc/13/58/30/563135830.db2.gz LIVCGOKZVFJFFV-NQLNTKRDSA-N 0 0 431.664 9.301 1 0 IKAFRN c1n[nH]cc1-c1cc2sc([C@@H]3COc4ccccc4C3)nc2c(OCC[C@@H]2CCOC2)c1 ZINC000049033645 563136017 /nfs/dbraw/zinc/13/60/17/563136017.db2.gz ZHSQTINQSPGGQO-LPHOPBHVSA-N 0 0 447.560 5.211 1 0 IKAFRN O=C(Oc1cccc(-c2ccccc2)c1)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000049036315 563136445 /nfs/dbraw/zinc/13/64/45/563136445.db2.gz BJCDGEPFKSLHPU-UHFFFAOYSA-N 0 0 427.426 5.088 1 0 IKAFRN COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(-c2ccccc2)s1 ZINC000049045271 563136572 /nfs/dbraw/zinc/13/65/72/563136572.db2.gz PQVTUPVRVUDOFO-LYZGTLIUSA-N 0 0 445.628 7.132 1 0 IKAFRN Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)[nH]1 ZINC000049046500 563136593 /nfs/dbraw/zinc/13/65/93/563136593.db2.gz FSQSSVYXLVXENX-UHFFFAOYSA-N 0 0 435.575 6.332 1 0 IKAFRN CC1(C)C[C@H](O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049048277 563136667 /nfs/dbraw/zinc/13/66/67/563136667.db2.gz XNNYTAVOTLXAAJ-IBGZPJMESA-N 0 0 434.750 6.970 1 0 IKAFRN CCCN(CCc1ccccc1)C(=O)c1c(C)nc2n1CCCN2c1c(C)cc(C)cc1C ZINC000049046686 563136682 /nfs/dbraw/zinc/13/66/82/563136682.db2.gz RNDZVYYHCKLREY-UHFFFAOYSA-N 0 0 444.623 5.753 1 0 IKAFRN CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3cn[nH]n3)cc2)n1 ZINC000049049476 563136785 /nfs/dbraw/zinc/13/67/85/563136785.db2.gz UQZBJCNYORYKRJ-UHFFFAOYSA-N 0 0 429.568 5.538 1 0 IKAFRN Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCSCC4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049054355 563137104 /nfs/dbraw/zinc/13/71/04/563137104.db2.gz YTBUECQNAIUXRV-UHFFFAOYSA-N 0 0 442.938 5.271 1 0 IKAFRN Clc1c2ccccc2sc1-c1nn2c(COc3ccccc3Cl)nnc2s1 ZINC000049053663 563137059 /nfs/dbraw/zinc/13/70/59/563137059.db2.gz KHOCQEGENNLSSG-UHFFFAOYSA-N 0 0 433.345 5.953 1 0 IKAFRN CC(C)=CCC/C(C)=C/COc1ccc([C@H]2C[C@@H]2c2nnc3c4ccccc4cnn32)cc1 ZINC000049055686 563137177 /nfs/dbraw/zinc/13/71/77/563137177.db2.gz MADGMSSACSBJDO-UNCOXZGGSA-N 0 0 438.575 6.620 1 0 IKAFRN CC(C)=CCC/C(C)=C/COc1ccc([C@H]2C[C@H]2c2nnc3c4ccccc4cnn32)cc1 ZINC000049055692 563137207 /nfs/dbraw/zinc/13/72/07/563137207.db2.gz MADGMSSACSBJDO-JQJCMXQBSA-N 0 0 438.575 6.620 1 0 IKAFRN O=C(N1CCCCC1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2Cl)CC1 ZINC000049066982 563137286 /nfs/dbraw/zinc/13/72/86/563137286.db2.gz BHUFAMDEGOUAKE-JOCHJYFZSA-N 0 0 432.395 5.306 1 0 IKAFRN Cc1nc2c(cccc2C(F)(F)F)nc1-c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000049067753 563137367 /nfs/dbraw/zinc/13/73/67/563137367.db2.gz OCOLFJMGVUFGBJ-UHFFFAOYSA-N 0 0 442.462 5.695 1 0 IKAFRN Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CC[C@@H](c3ccccc3)C2)nc2ncn(C)c21 ZINC000049068164 563137486 /nfs/dbraw/zinc/13/74/86/563137486.db2.gz QLUVBQGNTPVJSL-HXUWFJFHSA-N 0 0 440.595 5.707 1 0 IKAFRN COc1ccc(OC)c(CC(=O)Nc2cc3c(C=Cc4ccccc4)n[nH]c3cc2C)c1 ZINC000049071138 563137808 /nfs/dbraw/zinc/13/78/08/563137808.db2.gz KAHHZLXTLVPZAC-PKNBQFBNSA-N 0 0 427.504 5.240 1 0 IKAFRN O=C(c1ccccc1)N(Cc1ccc(-c2ccccc2)cc1)Cc1ccc(F)cc1Cl ZINC000049071159 563137814 /nfs/dbraw/zinc/13/78/14/563137814.db2.gz SISXRZFAYYJKHJ-UHFFFAOYSA-N 0 0 429.922 6.989 1 0 IKAFRN COc1ccc2c(c1)c(CC(=O)OCCC(C)(C)C)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000049087519 563137983 /nfs/dbraw/zinc/13/79/83/563137983.db2.gz FFAZIHFCWAPFNS-UHFFFAOYSA-N 0 0 441.955 5.822 1 0 IKAFRN O[C@](c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000049088128 563138004 /nfs/dbraw/zinc/13/80/04/563138004.db2.gz DAXGWLCLIPNRDH-HXUWFJFHSA-N 0 0 438.783 5.755 1 0 in-vivo IKAFRN O=C1c2ccc(Oc3ccccc3)cc2O[C@@H](SCc2cccnc2)[C@H]1c1ccccc1 ZINC000049088577 563138073 /nfs/dbraw/zinc/13/80/73/563138073.db2.gz NPRHWIYPJGTPNE-BDYUSTAISA-N 0 0 439.536 6.492 1 0 IKAFRN NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2CCc1c[nH]c2ccccc12 ZINC000049112907 563138386 /nfs/dbraw/zinc/13/83/86/563138386.db2.gz HKBHNZWWRRRSCH-UHFFFAOYSA-N 0 0 443.938 5.125 1 0 IKAFRN O=C(NC1CCCCC1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2Cl)CC1 ZINC000049113439 563138565 /nfs/dbraw/zinc/13/85/65/563138565.db2.gz OKSNOSDSHBATTM-QHCPKHFHSA-N 0 0 429.967 5.228 1 0 in-vitro IKAFRN COC(=O)c1csc(NC(=O)[C@@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1 ZINC000049115754 563138769 /nfs/dbraw/zinc/13/87/69/563138769.db2.gz GLJHRZZRWZRDGK-ZDUSSCGKSA-N 0 0 427.353 5.539 1 0 IKAFRN CCN(CC)C(=S)S[C@@H](CC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000049589113 563138983 /nfs/dbraw/zinc/13/89/83/563138983.db2.gz OOUQQSNOANKZED-IBGZPJMESA-N 0 0 436.440 6.123 1 0 IKAFRN CC(C)C1=C2CC[C@]3(C)[C@H]([C@H](O)C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@]2(C)CC1 ZINC000049783975 563139619 /nfs/dbraw/zinc/13/96/19/563139619.db2.gz PIYOHPNMTFGCSD-QABYISBDSA-N 0 0 442.728 7.140 1 0 IKAFRN COC(=O)Cc1csc(NC(=O)[C@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1 ZINC000049784361 563139629 /nfs/dbraw/zinc/13/96/29/563139629.db2.gz GNHJXSIKSWYCMU-OAHLLOKOSA-N 0 0 441.380 5.468 1 0 IKAFRN Clc1cccc([C@H]2ON=C(c3ccc(C4=NO[C@@H](c5cccc(Cl)c5)O4)cc3)O2)c1 ZINC000049785791 563139769 /nfs/dbraw/zinc/13/97/69/563139769.db2.gz HZSYZNGBGKVKSW-SZPZYZBQSA-N 0 0 441.270 5.808 1 0 IKAFRN Clc1cccc([C@@H]2ON=C(c3ccc(C4=NO[C@@H](c5cccc(Cl)c5)O4)cc3)O2)c1 ZINC000049785792 563139782 /nfs/dbraw/zinc/13/97/82/563139782.db2.gz HZSYZNGBGKVKSW-VXKWHMMOSA-N 0 0 441.270 5.808 1 0 IKAFRN O=C(CCCCCCOc1ccc(-c2cc(=S)ss2)cc1)Nc1ccccc1 ZINC000049799620 563139956 /nfs/dbraw/zinc/13/99/56/563139956.db2.gz REPVAFYZZQEAIZ-UHFFFAOYSA-N 0 0 429.632 7.174 1 0 IKAFRN CCN(CC)C(=S)S[C@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000049803129 563140041 /nfs/dbraw/zinc/14/00/41/563140041.db2.gz CMBQOVVNKYPLES-LJQANCHMSA-N 0 0 436.440 6.123 1 0 IKAFRN CCC[C@H](O)CN(Cc1cccc(OC(F)(F)F)c1)c1ccccc1Oc1ccccc1 ZINC000049808138 563140321 /nfs/dbraw/zinc/14/03/21/563140321.db2.gz PCNDHKJMLDCOGU-FQEVSTJZSA-N 0 0 445.481 6.545 1 0 IKAFRN CO[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H]([C@H](C)[C@H](O)C[C@@H](C)C(C)C)CC[C@H]3[C@H]12 ZINC000049872058 563140400 /nfs/dbraw/zinc/14/04/00/563140400.db2.gz UYEMZAOCHUCHMG-KVPUWWBNSA-N 0 0 446.716 6.230 1 0 IKAFRN O=C(Nc1ccc(Oc2ccc(-c3nccs3)cc2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000049808670 563140402 /nfs/dbraw/zinc/14/04/02/563140402.db2.gz CQPGWGRHPKNTOQ-UHFFFAOYSA-N 0 0 439.899 7.039 1 0 IKAFRN Cc1ccc(N[C@@H](C(=O)CCc2cccnc2)c2ccccc2Br)c(Cl)c1 ZINC000052594950 563140834 /nfs/dbraw/zinc/14/08/34/563140834.db2.gz UJFSTCJWOHQIAZ-JOCHJYFZSA-N 0 0 443.772 6.161 1 0 IKAFRN Cc1ccc(N[C@H](C(=O)CCc2ccccc2)c2ccccc2Br)c(Cl)c1 ZINC000053151216 563141162 /nfs/dbraw/zinc/14/11/62/563141162.db2.gz DCYOKNXAKWFFQI-QHCPKHFHSA-N 0 0 442.784 6.766 1 0 IKAFRN C[C@H](C(=O)N1CCCCC1)c1cccc([C@H](OC(=O)N2CCCCC2)c2ccccc2)c1 ZINC000053242633 563141352 /nfs/dbraw/zinc/14/13/52/563141352.db2.gz JKVXZJSDKJBYOM-SQJMNOBHSA-N 0 0 434.580 5.515 1 0 IKAFRN Cc1cc2nc(NCCCO)n(CC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2cc1C ZINC000053293632 563141713 /nfs/dbraw/zinc/14/17/13/563141713.db2.gz LBJDSZHRBUNYTP-UHFFFAOYSA-N 0 0 449.639 5.925 1 0 IKAFRN CCCOc1ccc(/C=C/[C@@](C)(/C=C/c2ccc(O)cc2)CCC=C(C)C)cc1Cl ZINC000053298189 563141911 /nfs/dbraw/zinc/14/19/11/563141911.db2.gz IIDUXQIFTMUEBK-BAKYTSDKSA-N 0 0 425.012 8.314 1 0 IKAFRN C[C@@H](C(=O)NC1CCCC1)c1cccc([C@H](OC(=O)NC2CCCC2)c2ccccc2)c1 ZINC000053312284 563142022 /nfs/dbraw/zinc/14/20/22/563142022.db2.gz XQLNSUYTMDPVAV-KBMIEXCESA-N 0 0 434.580 5.607 1 0 IKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2C(=O)Nc1cccc2ccccc21 ZINC000058486726 563143593 /nfs/dbraw/zinc/14/35/93/563143593.db2.gz XOIXQAQAVFEYCG-GGIZDREOSA-N 0 0 442.603 5.692 1 0 IKAFRN C[C@]12CC[C@@H]3[C@H](Cc4nn(C/C=C/c5ccccc5)c5c4[C@@]3(C)CCC5=O)[C@@H]1CCC2=O ZINC000058504277 563143676 /nfs/dbraw/zinc/14/36/76/563143676.db2.gz LBMKCHPKESVQRU-PMOLIPCUSA-N 0 0 428.576 5.398 1 0 IKAFRN C[NH+]1CCN(c2ccc(Nc3ccnc4ccc(-c5ccc(C(=O)[O-])cc5)cc43)cc2)CC1 ZINC000058538072 563144050 /nfs/dbraw/zinc/14/40/50/563144050.db2.gz XIUINWUMVJSAEM-UHFFFAOYSA-N 0 0 438.531 5.095 1 0 IKAFRN FC(F)(F)c1cnc(Nc2ccnc3nc(-c4ncccc4C(F)(F)F)ccc23)cn1 ZINC000058540748 563144259 /nfs/dbraw/zinc/14/42/59/563144259.db2.gz QWIPVJLMPGXZNA-UHFFFAOYSA-N 0 0 436.319 5.263 1 0 IKAFRN COc1ccccc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000058547721 563144322 /nfs/dbraw/zinc/14/43/22/563144322.db2.gz OFAJYVNHCQDBFF-XPNTWCBSSA-N 0 0 440.927 6.193 1 0 IKAFRN FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncncc4C(F)(F)F)ccc23)nc1 ZINC000058541718 563144331 /nfs/dbraw/zinc/14/43/31/563144331.db2.gz DMVWXWJLDQNRIM-UHFFFAOYSA-N 0 0 436.319 5.263 1 0 IKAFRN O=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1cccc2ncccc21 ZINC000058582231 563145088 /nfs/dbraw/zinc/14/50/88/563145088.db2.gz BOUDAHSVDOKLOI-UHFFFAOYSA-N 0 0 439.946 6.463 1 0 IKAFRN O=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccnc2ccccc21 ZINC000058591016 563145428 /nfs/dbraw/zinc/14/54/28/563145428.db2.gz LQYLILWDCGLLHY-UHFFFAOYSA-N 0 0 439.946 6.463 1 0 IKAFRN COc1cc(F)ccc1-c1cccc(Cc2cn(C)c3ccc(NC(=O)C(C)(C)C)cc23)c1 ZINC000058590645 563145441 /nfs/dbraw/zinc/14/54/41/563145441.db2.gz YBALYSCCSWPJFU-UHFFFAOYSA-N 0 0 444.550 6.568 1 0 IKAFRN CC(C)C(/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000058590544 563145442 /nfs/dbraw/zinc/14/54/42/563145442.db2.gz CTYONHPQOUXTOS-OSXDSGIUSA-N 0 0 426.729 8.047 1 0 IKAFRN CC(C)OC(=O)NCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000058678505 563146061 /nfs/dbraw/zinc/14/60/61/563146061.db2.gz BJWCWCMHVVNSFA-CEIFOQQWSA-N 0 0 449.676 5.138 1 0 IKAFRN O=C(NCCCc1ccccc1)c1ccc2[nH]c(-c3ccc(Oc4ccccc4)cc3)nc2c1 ZINC000059031771 563146062 /nfs/dbraw/zinc/14/60/62/563146062.db2.gz CTMMXQWAFOYGCG-UHFFFAOYSA-N 0 0 447.538 6.385 1 0 IKAFRN Cc1onc(-c2c(Cl)cccc2Cl)c1N(C)C(=O)OCc1c(F)cccc1Cl ZINC000059069048 563146157 /nfs/dbraw/zinc/14/61/57/563146157.db2.gz WYDJTQKFXIRJPP-UHFFFAOYSA-N 0 0 443.689 6.522 1 0 IKAFRN CC(C)OP(=O)(OC(C)C)[C@@H](NC(=S)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000059130238 563146232 /nfs/dbraw/zinc/14/62/32/563146232.db2.gz WERBVZHAUGHWMQ-WIYYLYMNSA-N 0 0 434.542 5.954 1 0 IKAFRN CC(C)OP(=O)(OC(C)C)[C@@H](NC(=S)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000059130235 563146248 /nfs/dbraw/zinc/14/62/48/563146248.db2.gz WERBVZHAUGHWMQ-GHTZIAJQSA-N 0 0 434.542 5.954 1 0 IKAFRN C[C@]1(Cc2cccc(C(F)(F)F)c2)C(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21 ZINC000061895562 563147125 /nfs/dbraw/zinc/14/71/25/563147125.db2.gz DWCFVJSVDSTDKD-JOCHJYFZSA-N 0 0 433.832 6.617 3 0 IKAFRN C[C@]1(C(=O)NCc2cccc3ccccc32)CCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000061895836 563147264 /nfs/dbraw/zinc/14/72/64/563147264.db2.gz GNTSPMKBXYLCCF-HSZRJFAPSA-N 0 0 428.454 5.019 3 0 IKAFRN CCc1nc2ccc(C(=O)Nc3cccc(OC)c3)cn2c1N(C)CCCc1ccccc1 ZINC000061898482 563147680 /nfs/dbraw/zinc/14/76/80/563147680.db2.gz LXWPWJYJCJAAJU-UHFFFAOYSA-N 0 0 442.563 5.227 3 0 IKAFRN CCCCC(=O)N(C)c1c(CC)nc2c(OCc3ccc(Cl)cc3Cl)cccn21 ZINC000061898454 563147691 /nfs/dbraw/zinc/14/76/91/563147691.db2.gz WUIHIFOBYWCOEJ-UHFFFAOYSA-N 0 0 434.367 5.936 3 0 IKAFRN Cc1c(Br)cccc1NC(=O)[C@]1(C)CCN1Cc1ccc(OC(C)C)cc1 ZINC000061902624 563147784 /nfs/dbraw/zinc/14/77/84/563147784.db2.gz GEGUXXKFUUZUGY-QFIPXVFZSA-N 0 0 431.374 5.148 3 0 IKAFRN COc1cc(NC(=O)c2ccc(-c3ccc(F)c(F)c3)c3ccoc32)cc(OC)c1OC ZINC000061903549 563147912 /nfs/dbraw/zinc/14/79/12/563147912.db2.gz AMOHZPYCFDIHDO-UHFFFAOYSA-N 0 0 439.414 5.656 3 0 IKAFRN COCCNc1nc2cc(-c3ccccc3)sc2c(Oc2ccc(NC(C)=O)cc2)n1 ZINC000061903221 563147947 /nfs/dbraw/zinc/14/79/47/563147947.db2.gz OGJDPOJNOPGFTH-UHFFFAOYSA-N 0 0 434.521 5.167 3 0 IKAFRN CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc(C(C)C)cc2)O3)c1 ZINC000061903431 563147948 /nfs/dbraw/zinc/14/79/48/563147948.db2.gz ZPFLSWVPJLXIET-AREMUKBSSA-N 0 0 429.520 5.163 3 0 IKAFRN CCc1nc2c(OCc3ccc(Cl)cc3)cccn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061904036 563148081 /nfs/dbraw/zinc/14/80/81/563148081.db2.gz MPGRSWVCKCECHY-UHFFFAOYSA-N 0 0 449.938 5.301 3 0 IKAFRN CCCCC(=O)N(C)c1c(CC)nc2c(OCc3ccc(C(F)(F)F)cc3)cccn21 ZINC000061905636 563148393 /nfs/dbraw/zinc/14/83/93/563148393.db2.gz XZMCUWOHEDZQMZ-UHFFFAOYSA-N 0 0 433.474 5.648 3 0 IKAFRN Cc1ccc(F)cc1C(=O)N1CCC[C@H](c2cc(C(=O)Nc3ccccc3Cl)no2)C1 ZINC000061906080 563148482 /nfs/dbraw/zinc/14/84/82/563148482.db2.gz RFARPIQFMLYHLV-HNNXBMFYSA-N 0 0 441.890 5.048 3 0 IKAFRN C[C@@H](CC(=O)Nc1ccc2c(c1)c(=O)n(C)n2-c1ccc2ccccc2c1)C(F)(F)F ZINC000061907594 563148820 /nfs/dbraw/zinc/14/88/20/563148820.db2.gz CAXGUPFFGNKYEA-AWEZNQCLSA-N 0 0 427.426 5.009 3 0 IKAFRN Cc1c(C(=O)Nc2cccc(Oc3ccccc3)c2)sc(=O)n1Cc1ccc(F)cc1 ZINC000061907937 563148891 /nfs/dbraw/zinc/14/88/91/563148891.db2.gz PRPHGSZDYSGATQ-UHFFFAOYSA-N 0 0 434.492 5.450 3 0 IKAFRN COc1ccccc1-c1ccc2c(c1)[C@@](C)(Cc1ccc(OC(F)(F)F)cc1)C(=O)N2 ZINC000061908726 563149039 /nfs/dbraw/zinc/14/90/39/563149039.db2.gz KEWKFZZUFMKYQJ-HSZRJFAPSA-N 0 0 427.422 5.713 3 0 IKAFRN CCc1nc2c(OCc3cc(Cl)cc(Cl)c3)cccn2c1N(C)C(=O)CC(C)C ZINC000061908808 563149057 /nfs/dbraw/zinc/14/90/57/563149057.db2.gz VVMSXLJPNNFQCA-UHFFFAOYSA-N 0 0 434.367 5.791 3 0 IKAFRN COc1ccc([C@@H]2[C@@H](C)N(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000061921050 563149121 /nfs/dbraw/zinc/14/91/21/563149121.db2.gz OAGQVGNMZNGNID-MNNSJKJDSA-N 0 0 448.566 6.619 3 0 IKAFRN COc1ccccc1CNc1nc2ccsc2c(NCCOc2ccccc2Cl)n1 ZINC000061926096 563149830 /nfs/dbraw/zinc/14/98/30/563149830.db2.gz MMINRNGEVRNOAV-UHFFFAOYSA-N 0 0 440.956 5.456 3 0 IKAFRN O=C(Nc1ccc(Cl)cc1)[C@@H]1Cc2c(nccc2-c2ccccc2Oc2ccccc2)O1 ZINC000061926171 563149805 /nfs/dbraw/zinc/14/98/05/563149805.db2.gz UYCXLHSYRFAOQE-DEOSSOPVSA-N 0 0 442.902 6.137 3 0 IKAFRN C[C@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN1Cc1ccc(-c2ccccc2)o1 ZINC000061926701 563149963 /nfs/dbraw/zinc/14/99/63/563149963.db2.gz IVDRYGBXNWRUOJ-HSZRJFAPSA-N 0 0 428.454 5.246 3 0 IKAFRN O[C@@](c1nc(/C=C/c2ccc(C(F)(F)F)cc2)cs1)(c1ccccc1)C(F)(F)F ZINC000061927117 563150111 /nfs/dbraw/zinc/15/01/11/563150111.db2.gz HVDFYSHOSLHCSM-VEGGFIAOSA-N 0 0 429.385 6.131 3 0 IKAFRN COc1ccc(OC(F)(F)F)cc1C[C@@]1(C)C(=O)Nc2ccc(-c3ccsc3)cc21 ZINC000061930155 563150545 /nfs/dbraw/zinc/15/05/45/563150545.db2.gz IOBCNVHYRDSUPA-OAQYLSRUSA-N 0 0 433.451 5.775 3 0 IKAFRN CN1OC[C@@H]2CN(C(=O)CCc3ccccc3)[C@H](c3cccc(Oc4ccccc4)c3)C[C@@H]21 ZINC000061942650 563150961 /nfs/dbraw/zinc/15/09/61/563150961.db2.gz QGTNCAJYGQQSCY-YGPDHOBYSA-N 0 0 442.559 5.247 3 0 IKAFRN Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1Cl ZINC000061945366 563151167 /nfs/dbraw/zinc/15/11/67/563151167.db2.gz FCROWDAKNKFHDO-UHFFFAOYSA-N 0 0 433.389 6.049 3 0 IKAFRN COc1ccc(/C=C/c2c3cc(OC)c(OC)cc3sc2-c2ccc(OC)cc2)cc1 ZINC000061947986 563151545 /nfs/dbraw/zinc/15/15/45/563151545.db2.gz JKKRARNWKDOXQD-VGOFMYFVSA-N 0 0 432.541 6.773 3 0 IKAFRN CC(C)C(=O)c1cc([C@@H]2CC[C@]3(C)C4=CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)c[nH]1 ZINC000064348947 563152675 /nfs/dbraw/zinc/15/26/75/563152675.db2.gz 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C[C@H](c1ccccc1)c1ccc2nc(-c3ccc(C[NH+]4CC(C(=O)[O-])C4)cc3F)sc2n1 ZINC000066076919 563157551 /nfs/dbraw/zinc/15/75/51/563157551.db2.gz CXOPPLGMWBBMQK-OAHLLOKOSA-N 0 0 447.535 5.166 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2F)c1[S@@](C)=O)c1ccccc1 ZINC000066098136 563158022 /nfs/dbraw/zinc/15/80/22/563158022.db2.gz OAYRJQVIMQZHAA-MNAQKMTRSA-N 0 0 446.547 5.659 1 0 IKAFRN COCC[NH2+][C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099518 563158082 /nfs/dbraw/zinc/15/80/82/563158082.db2.gz GAROGPGIPWJBPB-HXUWFJFHSA-N 0 0 448.563 5.051 1 0 IKAFRN CN(CCc1ccccc1)C(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 ZINC000066102507 563158494 /nfs/dbraw/zinc/15/84/94/563158494.db2.gz GFIRMZBACUHOCR-UHFFFAOYSA-N 0 0 427.470 5.085 1 0 IKAFRN COc1cc(-c2onc3c2CCCN3Cc2cc(F)cc(F)c2)ccc1-n1cnc(C)c1 ZINC000066103127 563158553 /nfs/dbraw/zinc/15/85/53/563158553.db2.gz MBDLUTZDIUTHTF-UHFFFAOYSA-N 0 0 436.462 5.075 1 0 IKAFRN COc1cc2c(cc1OC)n(Cc1ccccc1)cc(COCc1ccc(Cl)cc1)c2=O ZINC000066103462 563158555 /nfs/dbraw/zinc/15/85/55/563158555.db2.gz FEGXOKBGWTWRFD-UHFFFAOYSA-N 0 0 449.934 5.437 1 0 IKAFRN CCCCCn1c(C)c(C(=O)c2ccc(CCCC)c3ccc(C)cc23)c2ccccc21 ZINC000066102999 563158566 /nfs/dbraw/zinc/15/85/66/563158566.db2.gz DAKKQKNNVJTIFR-UHFFFAOYSA-N 0 0 425.616 8.175 1 0 IKAFRN FC(F)(F)c1ccccc1-c1ccc2[nH]c(C3=NOC4(C3)CCC(F)(F)CC4)nc2c1 ZINC000066102625 563158568 /nfs/dbraw/zinc/15/85/68/563158568.db2.gz CAOHHGZDRMEMEU-UHFFFAOYSA-N 0 0 435.396 6.321 1 0 IKAFRN O=C(OCCc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl)c1ccco1 ZINC000066105217 563158747 /nfs/dbraw/zinc/15/87/47/563158747.db2.gz OJVMTUIANNQPHO-UHFFFAOYSA-N 0 0 428.271 5.494 1 0 IKAFRN O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1 ZINC000066111939 563158921 /nfs/dbraw/zinc/15/89/21/563158921.db2.gz LZITYSWDKXUWGU-UHFFFAOYSA-N 0 0 426.438 6.350 1 0 IKAFRN Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)cc1Cl ZINC000066112163 563158984 /nfs/dbraw/zinc/15/89/84/563158984.db2.gz RAAKJXGYTXLCLM-UHFFFAOYSA-N 0 0 428.348 5.383 1 0 IKAFRN CC(C)(C)N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)cc3Cl)N2C1=O ZINC000066112692 563159087 /nfs/dbraw/zinc/15/90/87/563159087.db2.gz QWVBWSABLKPVJO-UYAOXDASSA-N 0 0 442.346 5.552 1 0 IKAFRN CCCC[C@H](O)c1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(OC)c(CC=C(C)C)c(OC)c12 ZINC000066113233 563159102 /nfs/dbraw/zinc/15/91/02/563159102.db2.gz OMUGPTVQXAFMBM-LPHOPBHVSA-N 0 0 444.568 5.771 1 0 IKAFRN CC(C)(C)N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)c(Cl)c3)N2C1=O ZINC000066113038 563159107 /nfs/dbraw/zinc/15/91/07/563159107.db2.gz MBKPBFCCOYUWQK-UYAOXDASSA-N 0 0 442.346 5.552 1 0 IKAFRN Fc1cccc(OC(F)(F)F)c1-c1ccc2nc(C3=NOC4(C3)CCCCC4)[nH]c2c1 ZINC000066113414 563159172 /nfs/dbraw/zinc/15/91/72/563159172.db2.gz MVMARDSCTPXWRW-UHFFFAOYSA-N 0 0 433.405 6.095 1 0 IKAFRN CC[C@]1(c2ccc(CSc3ccccc3F)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123169 563159256 /nfs/dbraw/zinc/15/92/56/563159256.db2.gz XXZKZRABXDBUHR-HHHXNRCGSA-N 0 0 443.543 6.789 1 0 IKAFRN CCC(CC)(NC(=O)c1cnn2c1N[C@@H](c1ccccc1)CC2(C)C)c1cccc(F)c1 ZINC000066123321 563159355 /nfs/dbraw/zinc/15/93/55/563159355.db2.gz AFJKHMXICXLERW-JOCHJYFZSA-N 0 0 434.559 5.760 1 0 IKAFRN C[C@@H](NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3)c1ccccc1 ZINC000066147905 563159609 /nfs/dbraw/zinc/15/96/09/563159609.db2.gz COGMNWRZIWEDJB-RBUKOAKNSA-N 0 0 427.548 5.039 1 0 IKAFRN Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(C(F)(F)F)c1 ZINC000066148757 563159623 /nfs/dbraw/zinc/15/96/23/563159623.db2.gz PLECZAQOIHPFBA-UHFFFAOYSA-N 0 0 434.418 5.432 1 0 IKAFRN Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1 ZINC000066166744 563159795 /nfs/dbraw/zinc/15/97/95/563159795.db2.gz XGRJREIUXZWFGH-UHFFFAOYSA-N 0 0 443.395 5.505 1 0 IKAFRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(Cl)c(Cl)c3)cc2c1 ZINC000066252620 563160149 /nfs/dbraw/zinc/16/01/49/563160149.db2.gz NEPYWXGRPVQCOI-UHFFFAOYSA-N 0 0 441.314 5.579 1 0 IKAFRN Cc1cc(F)ccc1/C(=C\CC[N@@H+]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000066258572 563160298 /nfs/dbraw/zinc/16/02/98/563160298.db2.gz QIFUSAXEZPLUKU-UZHQLRPZSA-N 0 0 435.461 5.771 1 0 IKAFRN COc1ccc([C@@H]2[C@@H](c3ccccc3)C(=S)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066259241 563160482 /nfs/dbraw/zinc/16/04/82/563160482.db2.gz SSPMNBWELACZTI-DHIUTWEWSA-N 0 0 435.545 5.394 1 0 IKAFRN CCOc1ccc(-c2c3ccccc3sc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066259704 563160589 /nfs/dbraw/zinc/16/05/89/563160589.db2.gz CVPXDIXASUGYMF-UHFFFAOYSA-N 0 0 448.540 6.224 1 0 IKAFRN O=C(NCC1CCCCC1)c1cc2ccccc2c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000066259651 563160596 /nfs/dbraw/zinc/16/05/96/563160596.db2.gz NCHITLKMQNCSBW-UHFFFAOYSA-N 0 0 427.470 6.307 1 0 IKAFRN COc1cc(C(=O)c2sc3ccccc3c2-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000066259748 563160603 /nfs/dbraw/zinc/16/06/03/563160603.db2.gz CGUGNQWPYVVBLI-UHFFFAOYSA-N 0 0 438.932 6.479 1 0 IKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)NCCC(C)(C)C)nn1-c1ccc(Cl)cc1Cl ZINC000066260151 563160674 /nfs/dbraw/zinc/16/06/74/563160674.db2.gz XCGNJCOSCDTVPS-UHFFFAOYSA-N 0 0 447.410 6.061 1 0 IKAFRN COc1ccccc1-c1c2ccccc2sc1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000066262785 563160906 /nfs/dbraw/zinc/16/09/06/563160906.db2.gz WNOWYAQIJYHHJE-UHFFFAOYSA-N 0 0 434.513 5.834 1 0 IKAFRN Cc1ccc2[nH]cc(-c3nc4sc5cc(F)ccc5n4c3Nc3ccc(F)cc3)c2c1 ZINC000071296647 563161811 /nfs/dbraw/zinc/16/18/11/563161811.db2.gz CMQZLQGKDBVZCY-UHFFFAOYSA-N 0 0 430.483 7.028 1 0 IKAFRN CCOc1ccc2ccccc2c1Nc1ccc([C@@H](n2ccnc2)C(C)(C)C(=O)OC)cc1 ZINC000071330294 563162439 /nfs/dbraw/zinc/16/24/39/563162439.db2.gz NANFXTXUURYZJT-RUZDIDTESA-N 0 0 443.547 5.967 1 0 IKAFRN CCc1cccc(NC(=O)N2CCc3nc(-c4ccncc4)nc(-c4ccccc4C)c3C2)c1 ZINC000071341740 563162664 /nfs/dbraw/zinc/16/26/64/563162664.db2.gz ULLGPFLSMWEVIB-UHFFFAOYSA-N 0 0 449.558 5.667 1 0 IKAFRN CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(OC(F)(F)F)cc4)nc3c2)ccn1 ZINC000071341604 563162673 /nfs/dbraw/zinc/16/26/73/563162673.db2.gz ZNYMPMILEBRLNS-UHFFFAOYSA-N 0 0 444.369 5.017 1 0 IKAFRN CCCCc1nc2ccc(-c3ccco3)cc2c(O)c1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000072106344 563163092 /nfs/dbraw/zinc/16/30/92/563163092.db2.gz HOQYFFDGCOMQQV-UHFFFAOYSA-N 0 0 444.575 5.829 1 0 IKAFRN O=C(/C=C/c1ccccc1Cl)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 ZINC000072108596 563163162 /nfs/dbraw/zinc/16/31/62/563163162.db2.gz ZOUNEVFOXIHPIZ-DHZHZOJOSA-N 0 0 435.314 6.332 1 0 IKAFRN CCc1nc2c(nc(CC)cc2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21 ZINC000072109276 563163233 /nfs/dbraw/zinc/16/32/33/563163233.db2.gz XXWXOZMPDDSSEJ-QHCPKHFHSA-N 0 0 449.562 5.247 1 0 IKAFRN CC[C@@H](c1ccc(-c2ccc(F)cc2)cc1)N1CC[C@](CCCO)(c2ccccc2)OC1=O ZINC000072117034 563163737 /nfs/dbraw/zinc/16/37/37/563163737.db2.gz ZASJMILIAPSNCZ-XTEPFMGCSA-N 0 0 447.550 6.454 1 0 IKAFRN Brc1cccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2)c1 ZINC000072121987 563163884 /nfs/dbraw/zinc/16/38/84/563163884.db2.gz KDLSSVOQCVHLJP-UHFFFAOYSA-N 0 0 442.154 6.117 3 0 IKAFRN CSCC[C@H](C(=O)Nc1c(C)cccc1C)N(Cc1ccccc1)Cc1ccccc1 ZINC000072134109 563164109 /nfs/dbraw/zinc/16/41/09/563164109.db2.gz FFVLPFHAQBBIGQ-RUZDIDTESA-N 0 0 432.633 6.066 3 0 IKAFRN C[C@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000072136456 563164183 /nfs/dbraw/zinc/16/41/83/563164183.db2.gz WEPDOROMUPGPKS-BTYIYWSLSA-N 0 0 431.916 5.192 1 0 IKAFRN C[C@@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1F ZINC000072136606 563164202 /nfs/dbraw/zinc/16/42/02/563164202.db2.gz LCUHWXWLALSVDB-SZNDQCEHSA-N 0 0 449.906 5.331 1 0 IKAFRN Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072139513 563164328 /nfs/dbraw/zinc/16/43/28/563164328.db2.gz SDKMEXVHAJFAST-MGUPHCMFSA-N 0 0 439.603 5.314 3 0 IKAFRN C[C@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(Cl)cc1 ZINC000072139559 563164390 /nfs/dbraw/zinc/16/43/90/563164390.db2.gz SMQBAXPNASWCCU-BTYIYWSLSA-N 0 0 448.371 5.707 1 0 IKAFRN CO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000072140979 563164518 /nfs/dbraw/zinc/16/45/18/563164518.db2.gz GQVCGTRDXSDAHC-HDFQMVTHSA-N 0 0 444.700 6.151 1 0 IKAFRN O=NN1[C@H](c2ccc(Cl)cc2)CC(=O)[C@H](c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072142391 563164709 /nfs/dbraw/zinc/16/47/09/563164709.db2.gz YQNVENJYPXQQMB-ACIOBRDBSA-N 0 0 425.315 6.516 1 0 IKAFRN Cc1onc(-c2c(Cl)cccc2Cl)c1CC(=O)NCc1ccc(-n2cccn2)cc1 ZINC000072170991 563164957 /nfs/dbraw/zinc/16/49/57/563164957.db2.gz VXMWDJDJGPLVJE-UHFFFAOYSA-N 0 0 441.318 5.001 1 0 IKAFRN Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000072171037 563164971 /nfs/dbraw/zinc/16/49/71/563164971.db2.gz QQZTYBGLBQYXKC-UHFFFAOYSA-N 0 0 428.513 5.021 1 0 IKAFRN O=C(Nc1ccc(Oc2ccnc3ccccc32)cc1)c1cc(C(F)(F)F)ccc1F ZINC000072172100 563165012 /nfs/dbraw/zinc/16/50/12/563165012.db2.gz HLQQFANMINGQAS-UHFFFAOYSA-N 0 0 426.369 6.437 1 0 IKAFRN Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F ZINC000072173244 563165095 /nfs/dbraw/zinc/16/50/95/563165095.db2.gz GOZUPPYBSRVJCV-UHFFFAOYSA-N 0 0 442.206 5.044 1 0 IKAFRN CN(C(=O)c1cc2c(s1)-c1ccc(-c3cn[nH]c3)cc1OCC2)c1ccncc1Cl ZINC000072173451 563165227 /nfs/dbraw/zinc/16/52/27/563165227.db2.gz YLRIKVDDMMIOGQ-UHFFFAOYSA-N 0 0 436.924 5.065 1 0 IKAFRN Cc1cn(-c2ccc(-c3ccc(N[C@@H](C)c4ccc(F)cc4)nc3)cc2OC(C)C)cn1 ZINC000072176321 563165588 /nfs/dbraw/zinc/16/55/88/563165588.db2.gz YBLMUAJROLCROR-IBGZPJMESA-N 0 0 430.527 6.342 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@H](c3ccccc3)[C@@H]1C2 ZINC000072177053 563165855 /nfs/dbraw/zinc/16/58/55/563165855.db2.gz FUUKCJZUEZOAIJ-HYBUGGRVSA-N 0 0 431.467 5.008 1 0 IKAFRN Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(O)cc3)C2)cc1C ZINC000072177368 563166046 /nfs/dbraw/zinc/16/60/46/563166046.db2.gz FJWFYMMJHWZSLX-VWLOTQADSA-N 0 0 425.557 6.488 1 0 IKAFRN Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000072178660 563166279 /nfs/dbraw/zinc/16/62/79/563166279.db2.gz MHDGMURJDSJVEZ-RUZDIDTESA-N 0 0 427.548 6.922 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccccc3)[C@@H]1C2 ZINC000072180743 563166956 /nfs/dbraw/zinc/16/69/56/563166956.db2.gz HCDNUIFLRHNPOQ-QFQXNSOFSA-N 0 0 441.531 5.486 1 0 IKAFRN O=C(N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1)N1CCCc2ccccc21 ZINC000072181628 563167223 /nfs/dbraw/zinc/16/72/23/563167223.db2.gz WVXINFMZJIIZKL-UHFFFAOYSA-N 0 0 439.519 5.037 1 0 IKAFRN CC[C@H](C)[C@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000072184750 563167893 /nfs/dbraw/zinc/16/78/93/563167893.db2.gz YULZIQNVMXNVSA-OFVILXPXSA-N 0 0 433.596 5.287 1 0 IKAFRN O=C(Oc1ccccc1)N1CCC(c2nc(C3=NO[C@H](c4ccccc4)C3)cs2)CC1 ZINC000072315372 563168367 /nfs/dbraw/zinc/16/83/67/563168367.db2.gz NCZZHJPXIOTLEV-QFIPXVFZSA-N 0 0 433.533 5.387 1 0 IKAFRN COc1cc(F)c(CN(Cc2ccc(SC)cc2)c2ccc3[nH]cnc3c2)cc1OC ZINC000072317635 563168415 /nfs/dbraw/zinc/16/84/15/563168415.db2.gz JMXDDDQZGVUFAW-UHFFFAOYSA-N 0 0 437.540 5.648 1 0 IKAFRN COC(=O)c1ccc(CN2C[C@@H](c3ccc(OC)c4oc5ccccc5c43)CC2=O)c(F)c1 ZINC000072317640 563168461 /nfs/dbraw/zinc/16/84/61/563168461.db2.gz XSOSGKOMEFEZFN-KRWDZBQOSA-N 0 0 447.462 5.036 1 0 IKAFRN CCOC(=O)c1c(N)nc2c(c1-c1ccc(N(C)C)cc1)CCc1c3cc(C)ccc3[nH]c1-2 ZINC000073139312 563168797 /nfs/dbraw/zinc/16/87/97/563168797.db2.gz CRDRLRLILIFJRN-UHFFFAOYSA-N 0 0 440.547 5.129 1 0 IKAFRN O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N(c1ccccc1)c1ccccc1 ZINC000073157326 563169137 /nfs/dbraw/zinc/16/91/37/563169137.db2.gz KOHNNAYDCSEQNR-UHFFFAOYSA-N 0 0 440.374 5.480 1 0 IKAFRN COc1ccc(Br)cc1-c1csc(Nc2ccc(-n3cnc(C)c3)cc2)n1 ZINC000073160581 563169347 /nfs/dbraw/zinc/16/93/47/563169347.db2.gz GDEPVUVIBMMPRS-UHFFFAOYSA-N 0 0 441.354 5.819 1 0 IKAFRN COc1ccc(Oc2cc(Nc3cc(Cl)ccc3C(N)=O)c(C(F)(F)F)cn2)cc1 ZINC000073161959 563169484 /nfs/dbraw/zinc/16/94/84/563169484.db2.gz UNYBVPZZEAKQRB-UHFFFAOYSA-N 0 0 437.805 5.397 1 0 IKAFRN Cc1c2cc(Cl)ccc2sc1-c1csc(NCCCCCNS(C)(=O)=O)n1 ZINC000073167493 563169654 /nfs/dbraw/zinc/16/96/54/563169654.db2.gz LUUCATYSMMCMJX-UHFFFAOYSA-N 0 0 444.047 5.118 1 0 IKAFRN COc1ccc(Nc2nc(Nc3cccc(OC(F)F)c3)cc(N3CCCCC3)n2)cc1 ZINC000073167005 563169683 /nfs/dbraw/zinc/16/96/83/563169683.db2.gz HSGACOSXIJOBFW-UHFFFAOYSA-N 0 0 441.482 5.564 1 0 IKAFRN COc1cc(Nc2nc3c(s2)CCC[C@H]3c2ccccc2)ccc1-c1sc(C)nc1C ZINC000073170055 563169844 /nfs/dbraw/zinc/16/98/44/563169844.db2.gz SDURVYPKHDBFKT-IBGZPJMESA-N 0 0 447.629 7.104 1 0 IKAFRN COc1cc(Nc2nc3c(s2)CCC[C@@H]3c2ccccc2)ccc1-c1cnc(C)s1 ZINC000073170052 563169849 /nfs/dbraw/zinc/16/98/49/563169849.db2.gz VDFJAGJWYNXAEA-GOSISDBHSA-N 0 0 433.602 6.795 1 0 IKAFRN COc1cccnc1COc1ccc(-c2nn(CC(F)(F)F)cc2-c2ccncc2)cc1 ZINC000073170058 563169853 /nfs/dbraw/zinc/16/98/53/563169853.db2.gz RARHAHMFCRRNBY-UHFFFAOYSA-N 0 0 440.425 5.157 1 0 IKAFRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)C[C@@H](O)COC(=O)c1ccncc1 ZINC000073196327 563169932 /nfs/dbraw/zinc/16/99/32/563169932.db2.gz NJOSGDACXBKYLX-IPQYAGCOSA-N 0 0 443.628 6.372 1 0 IKAFRN CCOP(=O)(OCC)[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccncc2)cc1 ZINC000073199070 563170162 /nfs/dbraw/zinc/17/01/62/563170162.db2.gz JKGJYWUUDHXARL-QFIPXVFZSA-N 0 0 448.862 6.918 1 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(-c2ccccc2)cc1 ZINC000073199227 563170170 /nfs/dbraw/zinc/17/01/70/563170170.db2.gz MPOKUZQIPUCUNH-ZOROSQJXSA-N 0 0 438.611 6.889 1 0 IKAFRN O=C([O-])Cc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000073199754 563170261 /nfs/dbraw/zinc/17/02/61/563170261.db2.gz FTUJZURBRXPUEZ-UHFFFAOYSA-N 0 0 445.403 5.774 1 0 IKAFRN CC(C)Oc1ccc(C(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000073221151 563170505 /nfs/dbraw/zinc/17/05/05/563170505.db2.gz TVBZNJRDTLLUIH-UHFFFAOYSA-N 0 0 430.548 5.224 1 0 IKAFRN Cc1ccc(N2C(=O)N[C@@]3(C[C@H]3c3ccc4cccc(OCc5ccccc5)c4n3)C2=O)cc1 ZINC000073223972 563171002 /nfs/dbraw/zinc/17/10/02/563171002.db2.gz NPCQHJQRDWTTJC-RBISFHTESA-N 0 0 449.510 5.105 1 0 IKAFRN Cc1nc(-c2ccc(Cl)cc2)sc1C[NH2+][C@@H]1CCCN(c2cccc(C(=O)[O-])c2)C1 ZINC000073240501 563171263 /nfs/dbraw/zinc/17/12/63/563171263.db2.gz OALFXKQGIJFXHQ-LJQANCHMSA-N 0 0 441.984 5.229 1 0 IKAFRN CCCCc1cc2c(cc1OCCOc1ccccc1)[nH]c(C)c(-c1c(C)noc1C)c2=O ZINC000073240566 563171374 /nfs/dbraw/zinc/17/13/74/563171374.db2.gz HMUKFOMTFLXXGZ-UHFFFAOYSA-N 0 0 446.547 5.909 1 0 IKAFRN CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(C(C)(C)C)c4)ccc3c2)ccn1 ZINC000073259102 563171473 /nfs/dbraw/zinc/17/14/73/563171473.db2.gz NEHBNDOQIMPXPZ-UHFFFAOYSA-N 0 0 426.520 5.823 1 0 IKAFRN CCOC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1Nc1ccc(C)cc1 ZINC000073273842 563171597 /nfs/dbraw/zinc/17/15/97/563171597.db2.gz SWXSXXCCJPDLRB-UHFFFAOYSA-N 0 0 442.946 7.298 1 0 IKAFRN O=C(N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1)N1CCCCCC1 ZINC000073279843 563171812 /nfs/dbraw/zinc/17/18/12/563171812.db2.gz BJYXXCKPEXLTTG-HXUWFJFHSA-N 0 0 434.367 5.175 1 0 IKAFRN C[C@@H]1CCCN(C(=O)N2CC(O[C@H](c3ccc(Cl)cc3)c3cccnc3Cl)C2)C1 ZINC000073293216 563171914 /nfs/dbraw/zinc/17/19/14/563171914.db2.gz SYQGKQQDUZSDHW-FOIQADDNSA-N 0 0 434.367 5.031 1 0 IKAFRN C[C@@H]1CCCN(C(=O)N2CC(O[C@@H](c3ccc(Cl)cc3)c3cccnc3Cl)C2)C1 ZINC000073293210 563171920 /nfs/dbraw/zinc/17/19/20/563171920.db2.gz SYQGKQQDUZSDHW-QRWLVFNGSA-N 0 0 434.367 5.031 1 0 IKAFRN C[C@H]1CCCN(C(=O)N2CC(O[C@@H](c3ccc(Cl)cc3)c3cccnc3Cl)C2)C1 ZINC000073293213 563171928 /nfs/dbraw/zinc/17/19/28/563171928.db2.gz SYQGKQQDUZSDHW-YWZLYKJASA-N 0 0 434.367 5.031 1 0 IKAFRN Nc1nc2c(ccn2Cc2cccc3ccccc32)c(Nc2cccc(Br)c2)n1 ZINC000073296351 563172160 /nfs/dbraw/zinc/17/21/60/563172160.db2.gz XETBAKDIRRDIRG-UHFFFAOYSA-N 0 0 444.336 5.721 1 0 IKAFRN C[C@@](NNc1ccccc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000073311568 563172295 /nfs/dbraw/zinc/17/22/95/563172295.db2.gz UQTPOBCKULZTES-VWLOTQADSA-N 0 0 445.459 6.222 1 0 IKAFRN Nc1nc2c(ccn2Cc2ccccc2Cl)c(Nc2cccc(Br)c2)n1 ZINC000073312773 563172346 /nfs/dbraw/zinc/17/23/46/563172346.db2.gz AIZJPCNAKJGBKZ-UHFFFAOYSA-N 0 0 428.721 5.221 1 0 IKAFRN Cc1ccc(N[C@](C)(c2cccnc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000073313883 563172353 /nfs/dbraw/zinc/17/23/53/563172353.db2.gz JXXTYWXELQBCNF-SANMLTNESA-N 0 0 444.471 7.026 1 0 IKAFRN O=C(NCc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1)Nc1ccc(Cl)cc1 ZINC000073312826 563172367 /nfs/dbraw/zinc/17/23/67/563172367.db2.gz HBOLCBRNVOAEBO-UHFFFAOYSA-N 0 0 447.966 5.682 1 0 IKAFRN C[C@@](Nc1ccccc1)(c1cccnc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000073315173 563172414 /nfs/dbraw/zinc/17/24/14/563172414.db2.gz IORYKYZJWNIIGU-VWLOTQADSA-N 0 0 430.444 6.718 1 0 IKAFRN COc1ccc2cc(CCC(=O)C[C@H](Nc3cc(C)on3)c3ccc(C)cc3)ccc2c1 ZINC000073315225 563172421 /nfs/dbraw/zinc/17/24/21/563172421.db2.gz FJNBETHCWXJELX-SANMLTNESA-N 0 0 428.532 6.198 1 0 IKAFRN COc1ccccc1Cc1c(-c2ccc(C)cc2)nc2cc(C)c(Br)c(C)n21 ZINC000073351364 563172545 /nfs/dbraw/zinc/17/25/45/563172545.db2.gz CAUNAAGRGFGGPS-UHFFFAOYSA-N 0 0 435.365 6.288 3 0 IKAFRN CCOc1c(F)cc(Oc2c(Cl)cnn(Cc3cccc4ccccc43)c2=O)cc1F ZINC000073353154 563172564 /nfs/dbraw/zinc/17/25/64/563172564.db2.gz DEDFBKFSAFQNDB-UHFFFAOYSA-N 0 0 442.849 5.567 1 0 IKAFRN COc1ccc(Oc2cc(Nc3c(Cl)cccc3C(N)=O)c(C(F)(F)F)cn2)cc1 ZINC000073386585 563172644 /nfs/dbraw/zinc/17/26/44/563172644.db2.gz IREYXIHHOFTWLZ-UHFFFAOYSA-N 0 0 437.805 5.397 1 0 IKAFRN O=c1c(-c2ccc(F)c(F)c2)c(Br)cnn1Cc1cccc2ccccc21 ZINC000073417825 563172833 /nfs/dbraw/zinc/17/28/33/563172833.db2.gz XXZDVADVEWPPTF-UHFFFAOYSA-N 0 0 427.248 5.153 1 0 IKAFRN COc1ccc(-c2ccc(NS(=O)(=O)c3ccc4cc(OC)ccc4c3)cc2OC)cc1 ZINC000082149410 563172952 /nfs/dbraw/zinc/17/29/52/563172952.db2.gz WWNCCLSCNCLJMF-UHFFFAOYSA-N 0 0 449.528 5.333 1 0 IKAFRN Cc1ccccc1Oc1ccc(-c2nc(-c3csc(C[NH+]4CC(C(=O)[O-])C4)c3)no2)cc1 ZINC000082149063 563172979 /nfs/dbraw/zinc/17/29/79/563172979.db2.gz WZSIVTSIPOTKIW-UHFFFAOYSA-N 0 0 447.516 5.082 1 0 IKAFRN c1ccc2[nH]c(-c3cccc(OCCOc4cccc(-c5nc6ccccc6[nH]5)c4)c3)nc2c1 ZINC000082150232 563173079 /nfs/dbraw/zinc/17/30/79/563173079.db2.gz MZFSQHSKTUXWGV-UHFFFAOYSA-N 0 0 446.510 6.231 1 0 IKAFRN CN(C(=O)c1cc2c(s1)-c1ccc(-c3cc[nH]n3)cc1OCC2)c1ccccc1Cl ZINC000082149739 563173089 /nfs/dbraw/zinc/17/30/89/563173089.db2.gz VYNINSZPZUFHMR-UHFFFAOYSA-N 0 0 435.936 5.670 1 0 IKAFRN COc1ccc(-c2ccc(-c3cccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c3)o2)cc1 ZINC000082150803 563173095 /nfs/dbraw/zinc/17/30/95/563173095.db2.gz UCIGZZIDSCFRLC-INIZCTEOSA-N 0 0 436.508 5.474 1 0 IKAFRN CC(C)c1cc(CCC(=O)C[C@@H](O)CCCCCCc2ccccc2)cc(C(C)C)c1O ZINC000082149760 563173117 /nfs/dbraw/zinc/17/31/17/563173117.db2.gz BJRMWEHFSJOJSM-VWLOTQADSA-N 0 0 438.652 7.085 1 0 IKAFRN C[C@H](NC(=O)CCc1ccc(-c2ccccc2)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000082152423 563173346 /nfs/dbraw/zinc/17/33/46/563173346.db2.gz XVMIXHGJLDCYQY-HNNXBMFYSA-N 0 0 438.358 6.347 1 0 IKAFRN COc1c(OC)c(OC)c2c(=O)cc(-c3cccc(OCc4ccccc4)c3)oc2c1OC ZINC000082155556 563173644 /nfs/dbraw/zinc/17/36/44/563173644.db2.gz QQBNAUTXBGEBOA-UHFFFAOYSA-N 0 0 448.471 5.073 1 0 IKAFRN Cc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[nH]c(=S)n2)cc1 ZINC000082157553 563173744 /nfs/dbraw/zinc/17/37/44/563173744.db2.gz YYKZGZGRBBCQBC-UHFFFAOYSA-N 0 0 438.531 6.773 1 0 IKAFRN COc1ccc2cc(S(=O)(=O)Nc3ccc(-c4ccc(OC)c(OC)c4)cc3)ccc2c1 ZINC000082157485 563173782 /nfs/dbraw/zinc/17/37/82/563173782.db2.gz ILYMLIIWPUWOSS-UHFFFAOYSA-N 0 0 449.528 5.333 1 0 IKAFRN COc1ccc(Cn2c3ccccc3nc2N[C@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000084635328 563174806 /nfs/dbraw/zinc/17/48/06/563174806.db2.gz ZNQYFMWXTMEFJZ-QGZVFWFLSA-N 0 0 448.954 5.494 1 0 IKAFRN C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2cc(F)cc(F)c2Cl)nn1 ZINC000084652282 563174895 /nfs/dbraw/zinc/17/48/95/563174895.db2.gz UALJJHWAALMQRL-LBPRGKRZSA-N 0 0 425.891 6.854 1 0 IKAFRN CCC(C)(C)C(=O)Oc1cc2c(s1)CCN([C@H](C(=O)OC)c1ccccc1Cl)C2 ZINC000084653539 563174983 /nfs/dbraw/zinc/17/49/83/563174983.db2.gz QMXFQSJTYAEYQD-IBGZPJMESA-N 0 0 435.973 5.016 1 0 IKAFRN O=C(Nc1ccc(F)cc1)N1CCc2cc(F)ccc2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000084670184 563175139 /nfs/dbraw/zinc/17/51/39/563175139.db2.gz DTGRSUMIIUYHEO-OAQYLSRUSA-N 0 0 432.392 6.163 1 0 IKAFRN O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc21 ZINC000084670694 563175235 /nfs/dbraw/zinc/17/52/35/563175235.db2.gz WAKGEROYRUJRJS-QHCPKHFHSA-N 0 0 449.554 5.327 1 0 IKAFRN COc1cc(COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc(OC)c1OC ZINC000084670458 563175263 /nfs/dbraw/zinc/17/52/63/563175263.db2.gz BPRQKBNBNWXUBW-UHFFFAOYSA-N 0 0 436.382 5.348 1 0 IKAFRN CC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(C)c(OC(C)C)cc3Cl)ccnc21 ZINC000084688125 563175974 /nfs/dbraw/zinc/17/59/74/563175974.db2.gz WYLUTOFQVJUPPL-FQEVSTJZSA-N 0 0 425.960 5.877 1 0 IKAFRN CCCCCCn1cc(COc2ccc3c(c2)O[C@@H](c2ccc(OC)cc2)CC3=O)nn1 ZINC000084688120 563175975 /nfs/dbraw/zinc/17/59/75/563175975.db2.gz JYHKYVIGPWIZHU-XMMPIXPASA-N 0 0 435.524 5.153 1 0 IKAFRN COc1ccc(OCCF)cc1CN(C(C)=O)c1cc(F)ccc1Oc1ccccc1 ZINC000084689967 563176315 /nfs/dbraw/zinc/17/63/15/563176315.db2.gz CCAPEMIGRIHMLM-UHFFFAOYSA-N 0 0 427.447 5.528 1 0 IKAFRN COc1cc(-c2nnc(SCc3ccc(F)cc3)o2)ccc1OCc1ccc(F)cc1 ZINC000084704987 563176695 /nfs/dbraw/zinc/17/66/95/563176695.db2.gz NHOZKWJSWOJAOU-UHFFFAOYSA-N 0 0 440.471 5.895 1 0 IKAFRN COc1ccc(C2=NN(C(=O)c3ccc(C)nc3Cl)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000084705458 563176845 /nfs/dbraw/zinc/17/68/45/563176845.db2.gz NOAPANNJSDUOAY-OAQYLSRUSA-N 0 0 440.330 5.697 1 0 IKAFRN COC(=O)c1ccc(Cn2c3ccccc3nc2[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000084705347 563176850 /nfs/dbraw/zinc/17/68/50/563176850.db2.gz KCAQRSYEOOYLPK-HXUWFJFHSA-N 0 0 426.560 6.222 1 0 IKAFRN CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)C(C)C ZINC000084705786 563176855 /nfs/dbraw/zinc/17/68/55/563176855.db2.gz GHKZSOXKUWCNDD-PPNLVLDGSA-N 0 0 428.701 6.772 1 0 IKAFRN COc1cc([C@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Nc2ccc(C)cc2)ccc1O ZINC000084709193 563177099 /nfs/dbraw/zinc/17/70/99/563177099.db2.gz RBCLTFFOOSOUBD-OAQYLSRUSA-N 0 0 441.487 5.839 1 0 IKAFRN [NH3+][C@@H](CSC(Cc1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000084710604 563177354 /nfs/dbraw/zinc/17/73/54/563177354.db2.gz VXGWMLNDFBTSOR-NRFANRHFSA-N 0 0 446.399 5.625 1 0 IKAFRN CC(C)(C)N(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1Cl ZINC000084711945 563177527 /nfs/dbraw/zinc/17/75/27/563177527.db2.gz VJIHIPNEMHPLDJ-GOSISDBHSA-N 0 0 435.895 5.104 1 0 IKAFRN O=C(c1ccc(Cl)nc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000084712698 563177642 /nfs/dbraw/zinc/17/76/42/563177642.db2.gz ZLZPBIXQDDYNJM-LJQANCHMSA-N 0 0 430.722 6.033 1 0 IKAFRN Cc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc(-c3ccco3)cc1)S[C@@H](C)C(=O)N2 ZINC000084712843 563177658 /nfs/dbraw/zinc/17/76/58/563177658.db2.gz VVLPWLMXSGZKEJ-GAJHUEQPSA-N 0 0 429.545 5.912 1 0 IKAFRN CCCCNC(=O)c1cc(NC(=O)CN2CCCCC2)ccc1Oc1ccc(Cl)cc1 ZINC000084713778 563177788 /nfs/dbraw/zinc/17/77/88/563177788.db2.gz PPIXXSVBMCYVHW-UHFFFAOYSA-N 0 0 443.975 5.087 1 0 IKAFRN O=C(c1cccnc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000084714748 563177875 /nfs/dbraw/zinc/17/78/75/563177875.db2.gz SRSFCHZGLULSSU-IBGZPJMESA-N 0 0 430.722 6.033 1 0 IKAFRN Cc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)c(Cl)n1 ZINC000084714742 563177887 /nfs/dbraw/zinc/17/78/87/563177887.db2.gz PZECVPMKXWMKFV-FQEVSTJZSA-N 0 0 444.749 6.342 1 0 IKAFRN C[C@@](O)(c1ccc(N(C2CCCC2)S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F ZINC000084723450 563178010 /nfs/dbraw/zinc/17/80/10/563178010.db2.gz RSZNSUZRQVPUFH-LJQANCHMSA-N 0 0 447.906 5.248 1 0 IKAFRN CC(=CC[n+]1cn(C)c2[nH]cnc(=N[O-])c21)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21 ZINC000084724427 563178128 /nfs/dbraw/zinc/17/81/28/563178128.db2.gz MRWKJLOSJBCIOX-FGOPRVDBSA-N 0 0 438.640 5.582 1 0 IKAFRN CCN(CC)c1ccc(C)c2nc(-c3c(OC)cc(COC)cc3OC)c(Cl)cc12 ZINC000084729966 563178440 /nfs/dbraw/zinc/17/84/40/563178440.db2.gz JMUWCILRZHRUPS-UHFFFAOYSA-N 0 0 428.960 5.873 1 0 IKAFRN Cc1cccc(-c2nc(NCc3cccc(Cl)c3)sc2-c2ccc3ncnn3c2)n1 ZINC000084730861 563178522 /nfs/dbraw/zinc/17/85/22/563178522.db2.gz RNKGUQCZUZXJAW-UHFFFAOYSA-N 0 0 432.940 5.489 1 0 IKAFRN CCCCCC[C@@](O)(CC)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000084731198 563178662 /nfs/dbraw/zinc/17/86/62/563178662.db2.gz KXNCPBQHKGCDBR-AMPLGARNSA-N 0 0 434.705 6.089 1 0 IKAFRN Cc1sc(N)c(C(=O)c2ccc(C)cc2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000084732212 563178767 /nfs/dbraw/zinc/17/87/67/563178767.db2.gz QROAGVBFAJWJHY-UHFFFAOYSA-N 0 0 443.412 6.883 1 0 IKAFRN CCCCNC(=O)c1ccc2c(c1)/C(=C(\c1nc3ccccc3[nH]1)c1ccccc1)C(=O)N2 ZINC000084741057 563179063 /nfs/dbraw/zinc/17/90/63/563179063.db2.gz XZPCRXOMUZGUNA-WCWDXBQESA-N 0 0 436.515 5.004 1 0 IKAFRN CCCCNC(=O)c1ccc2c(c1)/C(=C(/c1nc3ccccc3[nH]1)c1ccccc1)C(=O)N2 ZINC000084741056 563179117 /nfs/dbraw/zinc/17/91/17/563179117.db2.gz XZPCRXOMUZGUNA-VHXPQNKSSA-N 0 0 436.515 5.004 1 0 IKAFRN Cc1sc(N)c(C(=O)c2ccc(Cl)c(Cl)c2)c1-c1cccc(C(F)(F)F)c1 ZINC000084741737 563179199 /nfs/dbraw/zinc/17/91/99/563179199.db2.gz WWOGZRYPNKYQJM-UHFFFAOYSA-N 0 0 430.278 6.862 1 0 IKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)ccc21 ZINC000084742421 563179270 /nfs/dbraw/zinc/17/92/70/563179270.db2.gz OQOCZVKCYOLNJZ-UHFFFAOYSA-N 0 0 440.631 7.197 1 0 IKAFRN COc1cc2[nH]c(-c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3)cc(=O)c2cc1F ZINC000084757710 563179444 /nfs/dbraw/zinc/17/94/44/563179444.db2.gz KYVAWRHGAKQLRX-UHFFFAOYSA-N 0 0 443.396 5.832 1 0 IKAFRN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000084758871 563179740 /nfs/dbraw/zinc/17/97/40/563179740.db2.gz JACOBDRWVNCFMH-SXGWCWSVSA-N 0 0 429.907 5.853 1 0 IKAFRN Cc1cc(C)c(Nc2nc3cccc(N(CC4CC4)CC4CCOCC4)c3cc2C)c(C)c1 ZINC000084759352 563179868 /nfs/dbraw/zinc/17/98/68/563179868.db2.gz AMPLHRZGGAECTP-UHFFFAOYSA-N 0 0 443.635 6.855 1 0 IKAFRN Clc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-n1cccc1 ZINC000085679216 563179988 /nfs/dbraw/zinc/17/99/88/563179988.db2.gz BPTMXGXXXOCGCS-UHFFFAOYSA-N 0 0 438.962 6.655 1 0 IKAFRN Cc1cncc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)c1 ZINC000089469634 563180526 /nfs/dbraw/zinc/18/05/26/563180526.db2.gz KVVQUXAGSWSMKF-UHFFFAOYSA-N 0 0 446.898 5.125 1 0 IKAFRN Cc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)o1 ZINC000095546562 563180762 /nfs/dbraw/zinc/18/07/62/563180762.db2.gz IFEUWBHCHXKRPY-UPCLLVRISA-N 0 0 437.561 6.337 1 0 aggregator IKAFRN CC(C)(C)OC(=O)c1ncn2c1CN=C(c1ccc(Cl)cc1)c1cc(Cl)ccc1-2 ZINC000095553780 563181080 /nfs/dbraw/zinc/18/10/80/563181080.db2.gz DIFFWKCMFRKUBQ-UHFFFAOYSA-N 0 0 428.319 5.485 1 0 IKAFRN CC[C@@H](C)c1cc(-c2ccc(OCC(=O)[O-])c([C@@H](C)CC)c2)ccc1OCC[NH+](C)C ZINC000095555352 563181277 /nfs/dbraw/zinc/18/12/77/563181277.db2.gz AAKIKGCJVGKMAI-MOPGFXCFSA-N 0 0 427.585 5.784 1 0 IKAFRN COc1cc(F)cc(F)c1C1CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1 ZINC000095559031 563181910 /nfs/dbraw/zinc/18/19/10/563181910.db2.gz XLLJAPMXDNKGQJ-UHFFFAOYSA-N 0 0 432.902 5.006 1 0 IKAFRN COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@@H]32)cc1 ZINC000095559946 563182088 /nfs/dbraw/zinc/18/20/88/563182088.db2.gz LBQYCOIUNJRZJW-XQFUHLNNSA-N 0 0 433.576 7.425 1 0 IKAFRN Cc1csc(-c2[nH]c(CNC(=O)OCC(C)(C)C)nc2-c2ccc3ncsc3c2)n1 ZINC000095559939 563182093 /nfs/dbraw/zinc/18/20/93/563182093.db2.gz AIUNBPHYOYNUPA-UHFFFAOYSA-N 0 0 441.582 5.391 1 0 IKAFRN COc1ccc(NC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1OCCCC(C)C ZINC000095560933 563182304 /nfs/dbraw/zinc/18/23/04/563182304.db2.gz NLDYEDFNFAUYLV-INIZCTEOSA-N 0 0 438.490 6.412 1 0 IKAFRN Cc1ccc([C@@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@H]32)cc1 ZINC000095561848 563182500 /nfs/dbraw/zinc/18/25/00/563182500.db2.gz HPCMASFBCQZSSC-QVKOCQLISA-N 0 0 431.604 8.033 1 0 IKAFRN COc1ccc2c(c1)S[C@H](c1ccccc1)[C@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000095562245 563182575 /nfs/dbraw/zinc/18/25/75/563182575.db2.gz SHLQVIWIBZJTCD-LSMIHOHGSA-N 0 0 433.576 7.425 1 0 IKAFRN Cc1ccc(CN(CCO)Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 ZINC000095562082 563182593 /nfs/dbraw/zinc/18/25/93/563182593.db2.gz CGRLIJVNZSOVAK-UHFFFAOYSA-N 0 0 435.564 5.055 1 0 IKAFRN Oc1ccc2c(c1)CCc1ccc(c(O)c1)Oc1cc(ccc1O)CCc1ccc-2c(O)c1 ZINC000095562535 563182660 /nfs/dbraw/zinc/18/26/60/563182660.db2.gz OYDRFFDAUDGDGJ-UHFFFAOYSA-N 0 0 440.495 5.852 1 0 IKAFRN Nc1c2c(nc3c1[C@@H](c1c(Cl)cccc1Cl)c1ccc4ccccc4c1O3)CCCC2 ZINC000095562891 563182738 /nfs/dbraw/zinc/18/27/38/563182738.db2.gz UCYMJDLWIMOPFK-OAQYLSRUSA-N 0 0 447.365 7.289 1 0 IKAFRN COC(=O)c1ccc([C@H](C)NC(=O)Nc2ccc(OC)c(OCCCC(C)C)c2)cc1 ZINC000095563282 563182833 /nfs/dbraw/zinc/18/28/33/563182833.db2.gz JJRKTUHCOVKQAZ-KRWDZBQOSA-N 0 0 428.529 5.180 1 0 IKAFRN CC(C)(C)C(=O)c1c(NC(=O)c2ccccc2OC(F)(F)F)sc2c1CCOC2 ZINC000095563650 563182905 /nfs/dbraw/zinc/18/29/05/563182905.db2.gz SYCJXYVITJBOGA-UHFFFAOYSA-N 0 0 427.444 5.201 1 0 IKAFRN COc1ccc([C@@H]2Sc3cc(C)ccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@H]32)cc1 ZINC000095563833 563182994 /nfs/dbraw/zinc/18/29/94/563182994.db2.gz XVKWGFIPMCEATE-QVKOCQLISA-N 0 0 447.603 7.733 1 0 IKAFRN CCCCOC(=O)NCc1nc(-c2ccc3ncsc3c2)c(-c2nc(C)cs2)[nH]1 ZINC000095563748 563182996 /nfs/dbraw/zinc/18/29/96/563182996.db2.gz PMZRLWQBTSWXIE-UHFFFAOYSA-N 0 0 427.555 5.145 1 0 IKAFRN Cc1ccc(OCc2nc3ccccc3n2[C@@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 ZINC000095568298 563183925 /nfs/dbraw/zinc/18/39/25/563183925.db2.gz ZYZXTFHNNKIRPO-RUZDIDTESA-N 0 0 427.548 5.428 3 0 IKAFRN Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccc4ccccc43)O[C@H]3CCCC[C@@H]32)cc1 ZINC000095569574 563184169 /nfs/dbraw/zinc/18/41/69/563184169.db2.gz DKCNPGXFXRPJFN-RNXOBYDBSA-N 0 0 449.572 5.079 3 0 IKAFRN O=C(NC1CCCC1)[C@@H](c1ccccc1)n1c2ccccc2nc1-c1ccc2c(c1)CCO2 ZINC000095569868 563184225 /nfs/dbraw/zinc/18/42/25/563184225.db2.gz UHPZLZWVXIFQOC-AREMUKBSSA-N 0 0 437.543 5.286 3 0 IKAFRN CCCC[C@@H](c1nc2ccccc2[nH]1)n1c2cc(C)c(C)cc2nc(-c2ccccc2)c1=O ZINC000095570142 563184249 /nfs/dbraw/zinc/18/42/49/563184249.db2.gz ZICGFRBZJBXTBU-DEOSSOPVSA-N 0 0 436.559 6.336 3 0 IKAFRN CC(=O)C[C@@H]1c2cc(F)ccc2C=C(c2ccsc2)N1c1ccc(-c2cccnc2)cc1 ZINC000095570421 563184327 /nfs/dbraw/zinc/18/43/27/563184327.db2.gz OVUBBCNDZOLSKL-HHHXNRCGSA-N 0 0 440.543 6.988 3 0 IKAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3Cl)CC2)c1 ZINC000095570884 563184386 /nfs/dbraw/zinc/18/43/86/563184386.db2.gz WKFUYRNUGCILSS-UHFFFAOYSA-N 0 0 429.804 5.178 1 0 IKAFRN COc1ccccc1Cc1c(C2CCCCC2)nc2cc(C)c(Br)c(C)n21 ZINC000095570934 563184413 /nfs/dbraw/zinc/18/44/13/563184413.db2.gz VHUQRJYFVMNEDK-UHFFFAOYSA-N 0 0 427.386 6.361 3 0 IKAFRN O=c1[nH]c(=S)[nH]c2c1[C@H](c1cccc(C(F)(F)F)c1)O[C@@H](CCc1ccccc1)C2 ZINC000095570964 563184415 /nfs/dbraw/zinc/18/44/15/563184415.db2.gz PDMWMDYCWZPWOB-LPHOPBHVSA-N 0 0 432.467 5.115 3 0 IKAFRN O=C(c1ccccc1)N(CCCn1ccnc1)[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000095570958 563184429 /nfs/dbraw/zinc/18/44/29/563184429.db2.gz XRQPKOPDTHLLNO-RUZDIDTESA-N 0 0 435.531 5.082 3 0 IKAFRN O=C(NC1CCCC1)[C@@H](c1ccccc1)n1c2ccccc2nc1-c1cccc2ccccc21 ZINC000095571384 563184495 /nfs/dbraw/zinc/18/44/95/563184495.db2.gz WLIUFKTUDOYJBG-MUUNZHRXSA-N 0 0 445.566 6.505 3 0 IKAFRN COc1ccc(-c2nc3c(C)cc(Br)cn3c2Cc2ccsc2)cc1OC ZINC000095571296 563184526 /nfs/dbraw/zinc/18/45/26/563184526.db2.gz FFTZGXVEPGFNDF-UHFFFAOYSA-N 0 0 443.366 5.742 3 0 IKAFRN O=C(NC1CCCC1)[C@H](c1ccccc1)n1c2ccccc2nc1-c1cccc2ccccc21 ZINC000095571383 563184534 /nfs/dbraw/zinc/18/45/34/563184534.db2.gz WLIUFKTUDOYJBG-NDEPHWFRSA-N 0 0 445.566 6.505 3 0 IKAFRN CCOC(=O)[C@@H](CC)N1C(=O)CC[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000095571756 563184595 /nfs/dbraw/zinc/18/45/95/563184595.db2.gz QLMRAJFICQBJAE-KCZVDYSFSA-N 0 0 434.363 5.782 1 0 IKAFRN O=C(Nc1ccc(F)c(Nc2ccc3c(c2)CCc2ccccc2C3=O)c1)c1ccccc1 ZINC000095572132 563184676 /nfs/dbraw/zinc/18/46/76/563184676.db2.gz AGAUXADFBDJXLV-UHFFFAOYSA-N 0 0 436.486 6.151 1 0 IKAFRN O=C(Nc1ccc(F)cc1)Oc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1Cl ZINC000095573190 563184939 /nfs/dbraw/zinc/18/49/39/563184939.db2.gz VTZVTKPVHHQBOU-UHFFFAOYSA-N 0 0 445.321 6.696 1 0 IKAFRN O=C(CCc1ccccc1)Nc1cccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)c1 ZINC000095572865 563184961 /nfs/dbraw/zinc/18/49/61/563184961.db2.gz CIUXMXZWPSKTPT-UHFFFAOYSA-N 0 0 446.550 6.331 1 0 IKAFRN Cc1noc(-c2ccc3c(c2)c2c(n3C[C@@H](F)COc3cc(F)cc(F)c3)CCCC2)n1 ZINC000095573354 563185050 /nfs/dbraw/zinc/18/50/50/563185050.db2.gz MAJDGZOZHNXQSL-GOSISDBHSA-N 0 0 441.453 5.574 1 0 IKAFRN CC(C)[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000095573860 563185179 /nfs/dbraw/zinc/18/51/79/563185179.db2.gz RYEYOCAUSXYRDA-HSZRJFAPSA-N 0 0 447.406 5.083 1 0 IKAFRN CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)c3[nH]c4ccc(C(F)(F)F)cc4c3C[C@]21C ZINC000095574184 563185235 /nfs/dbraw/zinc/18/52/35/563185235.db2.gz SHCRZOQIFTVRDS-BKMJKUGQSA-N 0 0 441.537 7.370 1 0 IKAFRN CCc1cc(CC)nc(OCCCn2c3ccc(-c4nc(C)no4)cc3c3c2CCCC3)n1 ZINC000095574441 563185340 /nfs/dbraw/zinc/18/53/40/563185340.db2.gz VNUGXTJNTCKJIZ-UHFFFAOYSA-N 0 0 445.567 5.262 1 0 IKAFRN Cc1ccc(NC(=O)c2ccccc2)cc1Nc1ccc2c(c1)CCc1ccccc1C2=O ZINC000095574494 563185360 /nfs/dbraw/zinc/18/53/60/563185360.db2.gz NQRZLFJHJAXSRT-UHFFFAOYSA-N 0 0 432.523 6.321 1 0 IKAFRN O=C(Nc1cccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)c1)c1cccc(F)c1 ZINC000095574531 563185369 /nfs/dbraw/zinc/18/53/69/563185369.db2.gz OAQUVHHCVYGHRK-UHFFFAOYSA-N 0 0 436.486 6.151 1 0 IKAFRN O=C(Nc1nc2ccc(Br)cc2s1)c1ccccc1C(=O)c1ccccc1 ZINC000095576094 563185830 /nfs/dbraw/zinc/18/58/30/563185830.db2.gz FAIVLCDJENRXIO-UHFFFAOYSA-N 0 0 437.318 5.542 1 0 IKAFRN CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)c3[nH]c4c(cc(Cl)cc4Cl)c3C[C@]21C ZINC000095576054 563185838 /nfs/dbraw/zinc/18/58/38/563185838.db2.gz HNNGOQBDLGBZMZ-HFZDXXHNSA-N 0 0 442.430 7.658 1 0 IKAFRN COc1cc(Nc2cccc3c2nc(Cc2ccc(F)cc2)n3C)ccc1-n1cnc(C)c1 ZINC000095577496 563186381 /nfs/dbraw/zinc/18/63/81/563186381.db2.gz NIPRNOLKWXJBCK-UHFFFAOYSA-N 0 0 441.510 5.550 1 0 IKAFRN COc1cc(Nc2cccc3c(C)n(-c4ccc(F)cc4F)nc32)ccc1-n1cnc(C)c1 ZINC000095578566 563186770 /nfs/dbraw/zinc/18/67/70/563186770.db2.gz YPACEIHNUIXWIN-UHFFFAOYSA-N 0 0 445.473 5.858 1 0 IKAFRN CC(C)NC(=O)c1cc(Oc2cccc(NC(=S)Nc3ccc(Cl)cc3)c2)ccn1 ZINC000095578401 563186786 /nfs/dbraw/zinc/18/67/86/563186786.db2.gz MWJMIPOLXGKMMN-UHFFFAOYSA-N 0 0 440.956 5.474 1 0 IKAFRN S=C(Sc1ccccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000095579605 563187103 /nfs/dbraw/zinc/18/71/03/563187103.db2.gz QPKFJTBQIBWVEF-UHFFFAOYSA-N 0 0 439.049 6.124 1 0 IKAFRN O=C(Nc1cc(Nc2ccc3c(c2)OCc2ccccc2C3=O)ccc1F)c1ccsc1 ZINC000095580378 563187277 /nfs/dbraw/zinc/18/72/77/563187277.db2.gz PCUFFZVTCCWYNI-UHFFFAOYSA-N 0 0 444.487 6.007 1 0 IKAFRN O=C(Nc1cccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)c1)c1ccc(F)cc1 ZINC000095580405 563187287 /nfs/dbraw/zinc/18/72/87/563187287.db2.gz DQSIYLDRTCPTPA-UHFFFAOYSA-N 0 0 436.486 6.151 1 0 IKAFRN Cc1ccc(-c2nnc(CCc3nnc(-c4ccncc4)n3-c3ccccc3Cl)o2)cc1 ZINC000095581309 563187559 /nfs/dbraw/zinc/18/75/59/563187559.db2.gz BSGNOJZPCZALIF-UHFFFAOYSA-N 0 0 442.910 5.126 1 0 IKAFRN Cc1ccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Sc2ccccc2)s1 ZINC000095582872 563188116 /nfs/dbraw/zinc/18/81/16/563188116.db2.gz BCDUTWFTAHTDSY-VWLOTQADSA-N 0 0 442.609 7.003 1 0 IKAFRN O=C(Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)NCc1ccccc1 ZINC000095583643 563188364 /nfs/dbraw/zinc/18/83/64/563188364.db2.gz INGFLZZGZKIQGA-UHFFFAOYSA-N 0 0 437.383 6.250 1 0 IKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(Sc2ccccc2)s1 ZINC000095584269 563188559 /nfs/dbraw/zinc/18/85/59/563188559.db2.gz VXWIBWQMXBGVAQ-DEOSSOPVSA-N 0 0 428.582 6.695 1 0 IKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(-c2ccc3ccccc3c2)s1 ZINC000095585126 563188743 /nfs/dbraw/zinc/18/87/43/563188743.db2.gz LXNJNVBQBDELRX-MUUNZHRXSA-N 0 0 446.575 7.364 1 0 IKAFRN Cc1nn(-c2ccccc2Cl)c2c1[C@@H]1c3cc4cccc(C)c4nc3SC[C@@H]1CO2 ZINC000095586198 563189143 /nfs/dbraw/zinc/18/91/43/563189143.db2.gz AZSPSYBQQHFFRY-KKSFZXQISA-N 0 0 433.964 5.937 1 0 IKAFRN Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc1ccc(C)nc1)C(C)C ZINC000095589677 563189724 /nfs/dbraw/zinc/18/97/24/563189724.db2.gz WSWKJTKHXAZGNB-UHFFFAOYSA-N 0 0 447.366 5.582 1 0 IKAFRN O=C(Nc1ccc(Oc2ncnc3n[nH]cc32)cc1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000095589660 563189732 /nfs/dbraw/zinc/18/97/32/563189732.db2.gz GTISFBOEAJPQNU-UHFFFAOYSA-N 0 0 448.792 5.461 1 0 IKAFRN CC(C)(C)c1cc(-c2ccc([C@@]3(O)CN4CCCC[C@@H]4CO3)cc2)cc(C(C)(C)C)c1O ZINC000095590600 563190129 /nfs/dbraw/zinc/19/01/29/563190129.db2.gz NSTVWXQNDPCSER-SKCUWOTOSA-N 0 0 437.624 5.684 1 0 IKAFRN c1nn(-c2cc3ccc2CCc2ccc(cc2)CC3)cc1CN1CCN(c2ccccc2)CC1 ZINC000095590708 563190135 /nfs/dbraw/zinc/19/01/35/563190135.db2.gz VMUIVGHGONOVFW-UHFFFAOYSA-N 0 0 448.614 5.078 1 0 IKAFRN O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000095591187 563190184 /nfs/dbraw/zinc/19/01/84/563190184.db2.gz XVDREQKBSGNPOB-UHFFFAOYSA-N 0 0 442.224 6.844 1 0 IKAFRN O=c1c2ccccc2sn1[C@@H](Cc1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 ZINC000095593414 563190685 /nfs/dbraw/zinc/19/06/85/563190685.db2.gz GSKVNZKDCWAFPW-IBGZPJMESA-N 0 0 433.920 5.599 1 0 IKAFRN Fc1cc(Br)cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1 ZINC000095593600 563190747 /nfs/dbraw/zinc/19/07/47/563190747.db2.gz QDAGGYSWIASIRP-UHFFFAOYSA-N 0 0 449.349 5.178 1 0 IKAFRN CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095593655 563190765 /nfs/dbraw/zinc/19/07/65/563190765.db2.gz JXGIYKRRPGCLFV-JOCHJYFZSA-N 0 0 433.552 5.275 3 0 in-vitro IKAFRN Brc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 ZINC000095593834 563190785 /nfs/dbraw/zinc/19/07/85/563190785.db2.gz BVOGOJFKHWNPKC-UHFFFAOYSA-N 0 0 431.359 5.039 1 0 IKAFRN COc1cc(Sc2c3ccccc3[nH]c2-c2csc3ccccc23)cc(OC)c1OC ZINC000095593897 563190882 /nfs/dbraw/zinc/19/08/82/563190882.db2.gz WVIBGFFJFHNACX-UHFFFAOYSA-N 0 0 447.581 7.227 1 0 IKAFRN CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095594400 563191004 /nfs/dbraw/zinc/19/10/04/563191004.db2.gz UOZULKVJTOFNBL-NRFANRHFSA-N 0 0 438.593 5.941 1 0 IKAFRN CCOc1cccc(OCCSc2nc3ccccc3n2CCOc2ccc(C)cc2)c1 ZINC000095594542 563191005 /nfs/dbraw/zinc/19/10/05/563191005.db2.gz YPKXOUWDTKDPOW-UHFFFAOYSA-N 0 0 448.588 5.994 1 0 IKAFRN COC(=O)NCCc1c[nH]c2ccc(OCCOc3ccc(Oc4ccccc4)cc3)cc12 ZINC000095594888 563191225 /nfs/dbraw/zinc/19/12/25/563191225.db2.gz LGVIZVIHBNKWPQ-UHFFFAOYSA-N 0 0 446.503 5.317 1 0 IKAFRN C=C(c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1-c1ccc(C(C)(C)C)cc1 ZINC000095595351 563191324 /nfs/dbraw/zinc/19/13/24/563191324.db2.gz JBWAJJMIYSJDAH-UHFFFAOYSA-N 0 0 432.560 6.747 1 0 IKAFRN COc1cc(/C=C2\CCCN3C2=NOCC[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000095595671 563191362 /nfs/dbraw/zinc/19/13/62/563191362.db2.gz BXWJGRFAZAHTIZ-XOYGFPHKSA-N 0 0 446.526 5.283 1 0 IKAFRN COc1cc(C(=O)c2c3ccccc3[nH]c2-c2ccc3ccccc3c2)cc(OC)c1OC ZINC000095595548 563191366 /nfs/dbraw/zinc/19/13/66/563191366.db2.gz PDRRWJYSVDMGRW-UHFFFAOYSA-N 0 0 437.495 6.245 1 0 IKAFRN CCOC(=O)C1=CN(CC2CCCCC2)C=C(C(=O)OCC)C1c1ccc(Cl)cc1 ZINC000095597969 563191975 /nfs/dbraw/zinc/19/19/75/563191975.db2.gz KHEZRLUEYGLVDX-UHFFFAOYSA-N 0 0 431.960 5.214 1 0 IKAFRN CC(C)C1=C(C(N)=O)SC2=N[C@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095596398 563191531 /nfs/dbraw/zinc/19/15/31/563191531.db2.gz GEYJYBGVKMFBLD-DENIHFKCSA-N 0 0 446.403 5.721 1 0 IKAFRN Cc1ccc(C(=O)N(c2ccc(C(C)(C)C)cc2)[C@H](C(=O)NC(C)(C)C)c2cccnc2)o1 ZINC000095596479 563191554 /nfs/dbraw/zinc/19/15/54/563191554.db2.gz IDCQVGDVUWHHDD-QHCPKHFHSA-N 0 0 447.579 5.583 1 0 IKAFRN CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cccs1)c1ccc(C(C)(C)C)cc1 ZINC000095596693 563191621 /nfs/dbraw/zinc/19/16/21/563191621.db2.gz RYEZRLQEBRCAQY-JOCHJYFZSA-N 0 0 449.620 5.743 3 0 IKAFRN COc1cc([C@H](O)c2c3ccccc3[nH]c2-c2ccc3ccccc3c2)cc(OC)c1OC ZINC000095596585 563191638 /nfs/dbraw/zinc/19/16/38/563191638.db2.gz RWJRKTKRORYISQ-MHZLTWQESA-N 0 0 439.511 6.096 1 0 IKAFRN CCOc1ccc(Oc2c(Cl)cnn(C3c4ccccc4-c4ccccc43)c2=O)cc1 ZINC000095596803 563191685 /nfs/dbraw/zinc/19/16/85/563191685.db2.gz AMNMNTMWGQZZPV-UHFFFAOYSA-N 0 0 430.891 5.706 1 0 IKAFRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2ccco2)c2ccc(C(C)(C)C)cc2)cn1 ZINC000095596877 563191697 /nfs/dbraw/zinc/19/16/97/563191697.db2.gz RUIWMZIUTNWOQX-HSZRJFAPSA-N 0 0 447.579 5.583 1 0 IKAFRN COc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000095597452 563191906 /nfs/dbraw/zinc/19/19/06/563191906.db2.gz XEQYFXLFTUREFS-BVAGGSTKSA-N 0 0 437.568 6.347 1 0 IKAFRN COc1ccc([C@@H](C(=O)NC2CCCC2)n2c3ccccc3nc2-c2cccs2)cc1 ZINC000095600379 563192557 /nfs/dbraw/zinc/19/25/57/563192557.db2.gz DJWPMMQBIJHEAD-QHCPKHFHSA-N 0 0 431.561 5.422 3 0 IKAFRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(-c3ccccn3)nc2c1 ZINC000095601029 563192722 /nfs/dbraw/zinc/19/27/22/563192722.db2.gz BOKHENFMKIHRHD-GFCCVEGCSA-N 0 0 428.275 5.603 1 0 IKAFRN O=C([C@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccccc1 ZINC000095601145 563192733 /nfs/dbraw/zinc/19/27/33/563192733.db2.gz HDFIXHABRALQGY-XZOQPEGZSA-N 0 0 442.456 6.361 1 0 IKAFRN Cc1ccc(C2=C[C@H](c3c4cc(C)ccc4[nH]c3-c3ccccc3)c3c(=O)[nH]cnc3O2)cc1 ZINC000095601585 563192888 /nfs/dbraw/zinc/19/28/88/563192888.db2.gz FMYRQEDBCGLKNT-JOCHJYFZSA-N 0 0 445.522 6.100 1 0 IKAFRN O=C([C@@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccccn1 ZINC000095602105 563193084 /nfs/dbraw/zinc/19/30/84/563193084.db2.gz IGOIUKBPLOVGEE-YADHBBJMSA-N 0 0 443.444 5.756 1 0 IKAFRN CC(C)[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000095602173 563193136 /nfs/dbraw/zinc/19/31/36/563193136.db2.gz VIIHAWVNRZJWJG-VWLOTQADSA-N 0 0 437.499 6.085 1 0 IKAFRN O=C(Nc1ccc(-n2ncc3c2cccc3F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000095602281 563193145 /nfs/dbraw/zinc/19/31/45/563193145.db2.gz PXCJKTFVIVLULR-UHFFFAOYSA-N 0 0 448.807 6.481 1 0 IKAFRN C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)Nc1ccc2oc(-c3cncs3)nc2c1 ZINC000095602921 563193285 /nfs/dbraw/zinc/19/32/85/563193285.db2.gz MCPYCPHYSXCNFM-ZDUSSCGKSA-N 0 0 449.919 6.164 1 0 IKAFRN C[C@H](Nc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000095602824 563193311 /nfs/dbraw/zinc/19/33/11/563193311.db2.gz IMBVKBZWLRXRAW-LBPRGKRZSA-N 0 0 427.291 5.636 1 0 in-vitro IKAFRN C[C@H](Oc1cccc2ccccc21)C(=O)N(C)c1ccc2oc(-c3cncs3)nc2c1 ZINC000095603184 563193357 /nfs/dbraw/zinc/19/33/57/563193357.db2.gz LDHSBRXXLVRYKA-HNNXBMFYSA-N 0 0 429.501 5.535 1 0 IKAFRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3cncs3)nc2c1 ZINC000095602974 563193368 /nfs/dbraw/zinc/19/33/68/563193368.db2.gz DKQDLZHSFUBUCK-JTQLQIEISA-N 0 0 434.304 5.664 1 0 IKAFRN O=C([C@@H](Nc1ccccc1F)c1cc2ccccc2s1)N1CCC[C@H]1c1ccccn1 ZINC000095603253 563193397 /nfs/dbraw/zinc/19/33/97/563193397.db2.gz BSONHOQFIYHFJW-URXFXBBRSA-N 0 0 431.536 5.952 1 0 IKAFRN COC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(C)C)c1 ZINC000095603221 563193401 /nfs/dbraw/zinc/19/34/01/563193401.db2.gz QNSWKJATUSNBHG-UHFFFAOYSA-N 0 0 444.575 6.185 1 0 IKAFRN O=C1CCC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1 ZINC000095603981 563193635 /nfs/dbraw/zinc/19/36/35/563193635.db2.gz IMIUEPWPBOREDD-HXUWFJFHSA-N 0 0 445.403 5.479 1 0 IKAFRN CC(C)c1nc2ccccc2c(SCc2ccc(-c3cccc(-c4nn[nH]n4)c3)cc2)n1 ZINC000095604205 563193657 /nfs/dbraw/zinc/19/36/57/563193657.db2.gz CHOLDTMKPVTJSZ-UHFFFAOYSA-N 0 0 438.560 5.893 1 0 IKAFRN O=C([C@H](Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccccc1F ZINC000095605539 563194046 /nfs/dbraw/zinc/19/40/46/563194046.db2.gz BQIBFWUVGIECIX-XZOQPEGZSA-N 0 0 442.456 6.361 1 0 IKAFRN CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)Nc2ccccc2F)[C@H]1CO ZINC000095878204 563194864 /nfs/dbraw/zinc/19/48/64/563194864.db2.gz KIRYLEHQOLUILQ-UKDVSSAZSA-N 0 0 449.501 5.038 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2CC1CCCCC1 ZINC000095894277 563194954 /nfs/dbraw/zinc/19/49/54/563194954.db2.gz ATFYIVPHCQLLCO-KMDXXIMOSA-N 0 0 439.987 5.101 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCCCC1 ZINC000095894276 563194957 /nfs/dbraw/zinc/19/49/57/563194957.db2.gz ATFYIVPHCQLLCO-SMIHKQSGSA-N 0 0 439.987 5.101 1 0 IKAFRN COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)cc5)nc4c3)c2cc1OC ZINC000095921315 563195037 /nfs/dbraw/zinc/19/50/37/563195037.db2.gz ZCCVUGDQCAGCAA-UHFFFAOYSA-N 0 0 447.878 6.583 1 0 in-vitro IKAFRN Nc1nccn2c(C3CCC3)nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c12 ZINC000096168076 563195220 /nfs/dbraw/zinc/19/52/20/563195220.db2.gz WXUCKCGHKWBUNS-UHFFFAOYSA-N 0 0 431.543 6.716 1 0 IKAFRN O=c1c(CNc2cc(N3CCCCC3)ncn2)cn(-c2ccccc2)c2cc(Cl)ccc12 ZINC000096170265 563195623 /nfs/dbraw/zinc/19/56/23/563195623.db2.gz WKRNYVKZKGKPCY-UHFFFAOYSA-N 0 0 445.954 5.037 1 0 IKAFRN CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N)cc2n1Cc1ccccc1 ZINC000096172138 563195631 /nfs/dbraw/zinc/19/56/31/563195631.db2.gz SJCKLPLGQPZHRU-UHFFFAOYSA-N 0 0 433.502 5.603 1 0 IKAFRN CCCOc1ccc2c(c1)n(Cc1ccccn1)c(C(C)C)c2C(=O)NCc1cccnc1 ZINC000096172233 563195676 /nfs/dbraw/zinc/19/56/76/563195676.db2.gz BXIVCMREDQWAMF-UHFFFAOYSA-N 0 0 442.563 5.322 1 0 IKAFRN Cc1cc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)nc2ccccc12 ZINC000096173203 563195868 /nfs/dbraw/zinc/19/58/68/563195868.db2.gz DDYKRFYMWLKLMC-UHFFFAOYSA-N 0 0 438.575 5.434 1 0 IKAFRN Cc1ccc2oc(N3CCC4(CCCC(=O)N4Cc4cccc5[nH]ccc54)CC3)nc2c1 ZINC000096173178 563195880 /nfs/dbraw/zinc/19/58/80/563195880.db2.gz KCMMYXVXOINAMH-UHFFFAOYSA-N 0 0 428.536 5.169 1 0 IKAFRN Cc1cc(COCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)no1 ZINC000096174117 563196067 /nfs/dbraw/zinc/19/60/67/563196067.db2.gz GNKUPACZMLXALH-UHFFFAOYSA-N 0 0 436.475 5.067 1 0 IKAFRN CN(C)c1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177127 563196338 /nfs/dbraw/zinc/19/63/38/563196338.db2.gz IUILRNVCPMSUEG-HSZRJFAPSA-N 0 0 441.535 5.178 1 0 IKAFRN COc1ccc(F)cc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177070 563196358 /nfs/dbraw/zinc/19/63/58/563196358.db2.gz POSLWHBYLLKDOK-QFIPXVFZSA-N 0 0 446.482 5.260 1 0 IKAFRN CSc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177107 563196366 /nfs/dbraw/zinc/19/63/66/563196366.db2.gz YJJCGORFWUJNGD-QFIPXVFZSA-N 0 0 444.560 5.834 1 0 IKAFRN COc1ccccc1[C@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)c(C)c1 ZINC000096177246 563196432 /nfs/dbraw/zinc/19/64/32/563196432.db2.gz QCHDCGSWGJDCBU-VWLOTQADSA-N 0 0 443.572 6.328 1 0 IKAFRN CC[C@@H](c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CC[C@](CC)(c2ccccc2)OC1=O ZINC000096178526 563196521 /nfs/dbraw/zinc/19/65/21/563196521.db2.gz WMGGVACWNSZZQE-RPLLCQBOSA-N 0 0 430.548 5.651 1 0 IKAFRN O=C(CCc1coc2cccc(OCC3CCCCC3)c2c1=O)c1ccc2ccccc2c1 ZINC000096258435 563196546 /nfs/dbraw/zinc/19/65/46/563196546.db2.gz IFUZDNLUIZVJGN-UHFFFAOYSA-N 0 0 440.539 6.721 1 0 IKAFRN COCC1(c2ccc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)cc2)CC1 ZINC000096269957 563196671 /nfs/dbraw/zinc/19/66/71/563196671.db2.gz GNPONBNGLYCGLN-UHFFFAOYSA-N 0 0 445.563 6.493 1 0 IKAFRN S=C(Nc1nc(C2N=NC(=S)N2c2ccc(Cl)cc2)cs1)Nc1ccccc1 ZINC000096282312 563197086 /nfs/dbraw/zinc/19/70/86/563197086.db2.gz TYWDAXUZHQURGU-UHFFFAOYSA-N 0 0 444.998 5.142 1 0 IKAFRN Cc1ccc(-n2cc(COc3ccc(-c4nc5c(ccc6ccccc56)o4)cc3)nn2)cc1 ZINC000096284403 563197251 /nfs/dbraw/zinc/19/72/51/563197251.db2.gz YBJCRAVBJOTPRR-UHFFFAOYSA-N 0 0 432.483 6.116 1 0 IKAFRN CCNC(=O)C[C@H]1N=C(c2ccc(Cl)cc2)c2c(C)c(C)sc2-c2c(C)noc21 ZINC000096284475 563197257 /nfs/dbraw/zinc/19/72/57/563197257.db2.gz BEBIPBFPYIYAQJ-MRXNPFEDSA-N 0 0 427.957 5.400 1 0 IKAFRN CCOC(=O)NCCCCN1c2ccc(Cl)cc2Sc2cc3ccccc3nc21 ZINC000096905897 563197607 /nfs/dbraw/zinc/19/76/07/563197607.db2.gz ADYOJGVHEZKLCW-UHFFFAOYSA-N 0 0 427.957 6.017 1 0 IKAFRN Fc1ccc(-c2nc3ccc(-c4ccccc4)nn3c2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000096927435 563198079 /nfs/dbraw/zinc/19/80/79/563198079.db2.gz ZKBUGKCUCHKQRQ-UHFFFAOYSA-N 0 0 441.509 7.536 1 0 IKAFRN Fc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1 ZINC000096927587 563198104 /nfs/dbraw/zinc/19/81/04/563198104.db2.gz IDMGHXXCGWAKNT-UHFFFAOYSA-N 0 0 440.521 8.141 1 0 IKAFRN COc1ccccc1-c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2ccoc2)c1 ZINC000096927429 563198158 /nfs/dbraw/zinc/19/81/58/563198158.db2.gz ZXSRCXUGRDSVOL-UHFFFAOYSA-N 0 0 449.535 7.060 1 0 IKAFRN Fc1ccc(-c2nc3ccc(-c4ccsc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1 ZINC000096927591 563198181 /nfs/dbraw/zinc/19/81/81/563198181.db2.gz IZBMKUBSIXBRNU-UHFFFAOYSA-N 0 0 446.550 8.203 1 0 IKAFRN O=C(Nc1cc2[nH]c(-c3ccco3)nc2cc1N1CCCCC1)c1cccc2ccccc21 ZINC000096928350 563198394 /nfs/dbraw/zinc/19/83/94/563198394.db2.gz COXVWXDOTRVGAY-UHFFFAOYSA-N 0 0 436.515 6.219 1 0 IKAFRN CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)O/C2=C\c2ccc(Cl)cc2)cc1 ZINC000096929022 563198430 /nfs/dbraw/zinc/19/84/30/563198430.db2.gz FGFQUSUUASGSBK-QNGOZBTKSA-N 0 0 436.916 5.252 1 0 IKAFRN CS(=O)(=O)c1ccc(C2=C(c3ccccc3Cl)C(=O)O/C2=C\c2ccccc2)cc1 ZINC000096929029 563198438 /nfs/dbraw/zinc/19/84/38/563198438.db2.gz KBMOBKYUNOKSHD-QNGOZBTKSA-N 0 0 436.916 5.252 1 0 IKAFRN COc1cc(CNc2nc3ccc4nc(SC)sc4c3s2)cc(OC)c1OC ZINC000096929313 563198522 /nfs/dbraw/zinc/19/85/22/563198522.db2.gz GWUYUROOVOGCSG-UHFFFAOYSA-N 0 0 433.580 5.266 1 0 IKAFRN Cc1ccc(NC(=O)N2CCc3c(c(-c4ccccc4)nn3C(=O)c3ccccc3)C2)cc1 ZINC000096932284 563198802 /nfs/dbraw/zinc/19/88/02/563198802.db2.gz KAIGVPUKUAVOIT-UHFFFAOYSA-N 0 0 436.515 5.137 1 0 IKAFRN O=C(c1ccc(N2CCCCC2)cc1)N1CC[C@@H]2c3ccccc3N[C@@H]2[C@@H]1c1ccccn1 ZINC000096933233 563199052 /nfs/dbraw/zinc/19/90/52/563199052.db2.gz GCPQYBCDXLBYGE-NPAAKHOSSA-N 0 0 438.575 5.237 1 0 IKAFRN CC(C)(C)c1ccc(-c2nn(CCCN3CCN(c4ccccc4)CC3)c(=S)[nH]2)cc1 ZINC000096934128 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443.591 5.000 1 0 IKAFRN O=C1OC[C@H]2[C@@H]1Cc1ccccc1[C@@H]2/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)cn1 ZINC000003940306 562939629 /nfs/dbraw/zinc/93/96/29/562939629.db2.gz PBRFZUOCABCOOY-DJJNJRNKSA-N 0 0 435.445 5.910 1 0 IKAFRN Cc1c(O)c2c(oc3c2c(O)c(C)c(O)c3C(=O)CC(C)C)c(C(=O)CC(C)C)c1O ZINC000003978776 562940328 /nfs/dbraw/zinc/94/03/28/562940328.db2.gz DEUFHKWBUJBCRS-UHFFFAOYSA-N 0 0 428.481 5.483 1 0 in-vitro IKAFRN COc1cc(CC[C@@H](CCc2ccccc2)OC(=S)NCCc2ccccc2)ccc1O ZINC000003992373 562940519 /nfs/dbraw/zinc/94/05/19/562940519.db2.gz VUWXZDPCOJSJEV-XMMPIXPASA-N 0 0 449.616 5.469 1 0 IKAFRN Cc1ccn2c(c1)nc(-c1ccccc1OC(=O)C1CCC1)c2NC(C)(C)CC(C)(C)C ZINC000004172800 562942543 /nfs/dbraw/zinc/94/25/43/562942543.db2.gz QDCKWFUSBXXLAJ-UHFFFAOYSA-N 0 0 433.596 6.642 1 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccc(Br)c1 ZINC000004392974 562943209 /nfs/dbraw/zinc/94/32/09/562943209.db2.gz GYMUXAKTTCAUGX-WJGLBBAVSA-N 0 0 441.409 5.985 1 0 IKAFRN 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Cc1ccc(C(=O)c2[nH]c(Nc3cc(C)ccn3)c(C(=S)Nc3ccccc3)c2N)cc1 ZINC000005597260 562944485 /nfs/dbraw/zinc/94/44/85/562944485.db2.gz VMSRCNSERRPWGW-UHFFFAOYSA-N 0 0 441.560 5.371 1 0 IKAFRN C/C(=C\[C@@H](C)COCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1 ZINC000005809847 562944684 /nfs/dbraw/zinc/94/46/84/562944684.db2.gz AMYBQWRZQWNLFU-SYPXCRNFSA-N 0 0 430.588 6.588 1 0 IKAFRN Clc1ccc(C2=NN(c3ccccc3)[C@@H]3c4cc(Br)ccc4OC[C@@H]23)cc1 ZINC000005823927 562944957 /nfs/dbraw/zinc/94/49/57/562944957.db2.gz PHCBCVPVOMIBHS-SIKLNZKXSA-N 0 0 439.740 6.077 1 0 IKAFRN CCOP(=O)(C=C=C1CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]12C)OCC ZINC000005838733 562945011 /nfs/dbraw/zinc/94/50/11/562945011.db2.gz JIHALSHDGNCNII-NSMDYCSZSA-N 0 0 430.525 6.856 1 0 IKAFRN C1CO[C@@H]2SC3=C(SC(=C4SC5=C(S4)SCCS5)S3)S[C@H]2O1 ZINC000005842910 562945119 /nfs/dbraw/zinc/94/51/19/562945119.db2.gz YUFRAYWYOAFEQR-PHDIDXHHSA-N 0 0 442.746 5.985 1 0 IKAFRN 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Cc1nnc2n1N=C(c1cc(F)c(Cl)cc1Cl)/C(=C/c1ccc(Cl)cc1)S2 ZINC000006019980 562945935 /nfs/dbraw/zinc/94/59/35/562945935.db2.gz FUGFORRHXIHJIS-SOFYXZRVSA-N 0 0 439.730 6.085 1 0 IKAFRN CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000006491929 562946886 /nfs/dbraw/zinc/94/68/86/562946886.db2.gz YRFHDUFXTPQAJY-LCSKREJOSA-N 0 0 440.712 7.658 1 0 IKAFRN CCCCCC/C(=C(\c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 ZINC000006718465 562948222 /nfs/dbraw/zinc/94/82/22/562948222.db2.gz ZUYRLXUNPGJIIF-RQZHXJHFSA-N 0 0 433.617 6.988 1 0 IKAFRN CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@@H]([C@]2(C(=O)OCC)CCCC2=O)O1 ZINC000007992285 562948774 /nfs/dbraw/zinc/94/87/74/562948774.db2.gz WRAZULSPEOLVKT-ZCYQVOJMSA-N 0 0 430.541 5.389 1 0 IKAFRN COc1cccc(-n2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3c2=O)c1 ZINC000008588657 562950737 /nfs/dbraw/zinc/95/07/37/562950737.db2.gz GUPHHGSEZRCDSE-UHFFFAOYSA-N 0 0 438.405 5.270 1 0 IKAFRN CCc1ccc(CNC(=O)CCCN2c3cc(Cl)ccc3Oc3ncccc3C2=O)cc1 ZINC000008590537 562951817 /nfs/dbraw/zinc/95/18/17/562951817.db2.gz ZKLYORJPGPKMRB-UHFFFAOYSA-N 0 0 449.938 5.147 1 0 IKAFRN O=c1cc(-c2ccc(F)cc2)nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)[nH]1 ZINC000008600167 562954987 /nfs/dbraw/zinc/95/49/87/562954987.db2.gz HZKCLXLAHJNVBN-UHFFFAOYSA-N 0 0 448.401 5.349 1 0 IKAFRN COc1ccc(C(=O)N2CCC(c3c[nH]c4ccccc43)(c3c[nH]c4ccccc43)CC2)cc1 ZINC000008610432 562958153 /nfs/dbraw/zinc/95/81/53/562958153.db2.gz NLYNIQVVOYNOIQ-UHFFFAOYSA-N 0 0 449.554 5.880 1 0 IKAFRN O=C(Nc1ccc(Br)cc1F)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000008611036 562958376 /nfs/dbraw/zinc/95/83/76/562958376.db2.gz OYCMWCBSPNKORD-UHFFFAOYSA-N 0 0 439.284 5.767 1 0 IKAFRN O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000008626790 562960015 /nfs/dbraw/zinc/96/00/15/562960015.db2.gz YIXMUAOMXLAEIN-UHFFFAOYSA-N 0 0 426.847 5.149 1 0 IKAFRN CCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1 ZINC000008666549 562960493 /nfs/dbraw/zinc/96/04/93/562960493.db2.gz WMNVADRVQWPRIV-UHFFFAOYSA-N 0 0 446.598 5.855 3 0 aggregator IKAFRN CCC[C@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1 ZINC000008666542 562960495 /nfs/dbraw/zinc/96/04/95/562960495.db2.gz JAZWKYQDMWHNDM-LBPRGKRZSA-N 0 0 446.598 5.711 3 0 aggregator IKAFRN O=C(Cc1cccs1)N(Cc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccsc1 ZINC000008687127 562962929 /nfs/dbraw/zinc/96/29/29/562962929.db2.gz VMOPKNNGLSCSEB-HSZRJFAPSA-N 0 0 438.618 5.181 3 0 IKAFRN CCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(Cl)ccc3C)n2)s1 ZINC000008691893 562963516 /nfs/dbraw/zinc/96/35/16/562963516.db2.gz PWOYSDZBSKHVNP-UHFFFAOYSA-N 0 0 435.018 6.799 3 0 IKAFRN CC[C@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3cc(Cl)ccc3OC)n2)s1 ZINC000008691910 562963521 /nfs/dbraw/zinc/96/35/21/562963521.db2.gz CBDGQHZIRPOZGM-JTQLQIEISA-N 0 0 436.990 5.965 3 0 IKAFRN C[C@@]1([C@@H](NC(=O)c2cccs2)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CCCCC1 ZINC000008829565 562964665 /nfs/dbraw/zinc/96/46/65/562964665.db2.gz CSVWAUMVMIFHBS-GYGTVUFYSA-N 0 0 429.629 7.493 3 0 IKAFRN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2F)[C@@H]1c1cccs1 ZINC000009432926 562970772 /nfs/dbraw/zinc/97/07/72/562970772.db2.gz LGYRSHHLFFNALN-YADHBBJMSA-N 0 0 440.515 5.602 1 0 IKAFRN CCOc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 ZINC000009433005 562970844 /nfs/dbraw/zinc/97/08/44/562970844.db2.gz DFBRJQZXOINNSB-RPWUZVMVSA-N 0 0 448.588 5.722 1 0 IKAFRN CC(=O)c1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 ZINC000009433252 562970853 /nfs/dbraw/zinc/97/08/53/562970853.db2.gz BXOLYWPJAPOLPY-RPWUZVMVSA-N 0 0 446.572 5.526 1 0 IKAFRN CCc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433629 562970988 /nfs/dbraw/zinc/97/09/88/562970988.db2.gz GTJDTDXOZNRPHG-LOSJGSFVSA-N 0 0 444.600 6.173 1 0 IKAFRN Cc1ccc2occ([C@H]3C(C(=O)OC4CCCC4)=C(C)NC4=C3C(=O)CCC4)c(=O)c2c1 ZINC000009778571 562976841 /nfs/dbraw/zinc/97/68/41/562976841.db2.gz BPMBNZKZZFXDON-QHCPKHFHSA-N 0 0 433.504 5.395 1 0 IKAFRN CCCc1nc2c(nc(C)cc2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21 ZINC000011687575 562979084 /nfs/dbraw/zinc/97/90/84/562979084.db2.gz UVDVRIXPMWDFIT-QHCPKHFHSA-N 0 0 449.562 5.383 1 0 IKAFRN O[C@@H](c1cccnc1)c1ccc2c(c1)CN(Cc1ccc(-c3ccccc3Cl)o1)CCO2 ZINC000012029107 562980423 /nfs/dbraw/zinc/98/04/23/562980423.db2.gz VHBJQIODQZLBSG-AREMUKBSSA-N 0 0 446.934 5.471 1 0 IKAFRN Cc1oc(-c2ccccc2NC(=O)C2CCC2)nc1CNC(=O)c1ccc2ccccc2c1 ZINC000012080289 562980836 /nfs/dbraw/zinc/98/08/36/562980836.db2.gz YHGKABDSZRJMOE-UHFFFAOYSA-N 0 0 439.515 5.472 1 0 IKAFRN CCOC(=O)c1ccc(-c2c(-c3ccc4c(c3)OCO4)noc2-c2ccsc2)cc1F ZINC000012474304 562982200 /nfs/dbraw/zinc/98/22/00/562982200.db2.gz FHZVIKWDLOTOKY-UHFFFAOYSA-N 0 0 437.448 5.782 3 0 IKAFRN Clc1ccc(-c2noc3c2-c2nc(Cc4cccc5ccccc54)sc2CC3)cc1 ZINC000012726482 562983091 /nfs/dbraw/zinc/98/30/91/562983091.db2.gz IAYKSVALVXFMLS-UHFFFAOYSA-N 0 0 428.944 6.961 3 0 IKAFRN c1ccc(Nc2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)s2)cc1 ZINC000012971219 562983703 /nfs/dbraw/zinc/98/37/03/562983703.db2.gz KODBGUVBMZBTOK-UHFFFAOYSA-N 0 0 441.585 6.631 1 0 IKAFRN COc1ccc(-c2[nH]c(-c3ccc(OC)cc3)c(-c3ccccn3)c2-c2ccccn2)cc1 ZINC000013002323 562983904 /nfs/dbraw/zinc/98/39/04/562983904.db2.gz WNLPGHXMHVQKKA-UHFFFAOYSA-N 0 0 433.511 6.490 1 0 IKAFRN CC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013025741 562984244 /nfs/dbraw/zinc/98/42/44/562984244.db2.gz DLBDNGXKKXMLCH-XMMPIXPASA-N 0 0 448.494 5.068 3 0 IKAFRN COc1cc([C@@H]2CC(=O)c3c(O)c(CC=C(C)C)c4c(c3O2)C=CC(C)(C)O4)ccc1O ZINC000013339860 562985769 /nfs/dbraw/zinc/98/57/69/562985769.db2.gz KCZWDIXZSAGPCD-FQEVSTJZSA-N 0 0 436.504 5.506 1 0 in-vitro IKAFRN CC(C)=CCOc1cccc2oc(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)nc21 ZINC000013438209 562986031 /nfs/dbraw/zinc/98/60/31/562986031.db2.gz MHLQISXSWHADJV-NRFANRHFSA-N 0 0 436.508 5.307 1 0 IKAFRN CNC(=O)Nc1cccc([C@@H](Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)c1 ZINC000013442027 562986496 /nfs/dbraw/zinc/98/64/96/562986496.db2.gz PMQUPVKJGDJJHJ-XMMPIXPASA-N 0 0 445.563 5.538 1 0 IKAFRN O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCCCCC1CCCCC1 ZINC000013442433 562986565 /nfs/dbraw/zinc/98/65/65/562986565.db2.gz KCIRBTXGALUYHT-UHFFFAOYSA-N 0 0 428.504 5.146 1 0 IKAFRN Oc1cc2c(cc1CCCSc1nc3ccccc3s1)O[C@@H](CCc1ccccc1)C2 ZINC000013453332 562987509 /nfs/dbraw/zinc/98/75/09/562987509.db2.gz ORCVUHCKQLQJTL-NRFANRHFSA-N 0 0 447.625 6.663 1 0 IKAFRN CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC)CC1 ZINC000013455576 562987618 /nfs/dbraw/zinc/98/76/18/562987618.db2.gz LQLJVDXDUMLJJC-QZTJIDSGSA-N 0 0 428.617 5.088 1 0 IKAFRN CC(=O)N[C@@H]1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000013471195 562987788 /nfs/dbraw/zinc/98/77/88/562987788.db2.gz LDMOLCOFCNCFPU-OAQYLSRUSA-N 0 0 438.449 5.228 1 0 IKAFRN CCCCCC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000013472865 562988115 /nfs/dbraw/zinc/98/81/15/562988115.db2.gz IRMRQFVSDSRFBF-UHFFFAOYSA-N 0 0 435.782 7.571 1 0 IKAFRN COc1cc(/C=C\CC/C=C/C=C(\C)CC[C@H](O)c2cccs2)cc(OC)c1OC ZINC000013473250 562988213 /nfs/dbraw/zinc/98/82/13/562988213.db2.gz HBDPZSXKPMQKKY-YBBKABOUSA-N 0 0 428.594 6.584 1 0 IKAFRN COc1cc(CCCCCCC[C@@H](C)CC[C@H](O)c2cccs2)cc(OC)c1OC ZINC000013473259 562988233 /nfs/dbraw/zinc/98/82/33/562988233.db2.gz WKHDMCCYYYTPGK-CTNGQTDRSA-N 0 0 434.642 6.807 1 0 IKAFRN CCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000013474255 562988680 /nfs/dbraw/zinc/98/86/80/562988680.db2.gz UMLUCOPZERDAMH-UHFFFAOYSA-N 0 0 436.770 6.338 1 0 IKAFRN C[S@](=O)c1ccc(CSc2ncc(-c3ccc(F)cc3)c(-c3cccnc3)n2)cc1 ZINC000013474283 562988674 /nfs/dbraw/zinc/98/86/74/562988674.db2.gz FOZSAJYPIOZILQ-SSEXGKCCSA-N 0 0 435.549 5.374 1 0 IKAFRN CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2[C@@H]1O3 ZINC000013474853 562988788 /nfs/dbraw/zinc/98/87/88/562988788.db2.gz WMIQSPDXASFBFO-SANMLTNESA-N 0 0 448.563 5.535 1 0 IKAFRN CC[C@H](CCOC)n1c(OC)nc2c1nccc2-c1ccc(OC(F)(F)F)cc1Cl ZINC000013479599 562989280 /nfs/dbraw/zinc/98/92/80/562989280.db2.gz OKEVPFNSMAXPBX-GFCCVEGCSA-N 0 0 443.853 5.647 1 0 IKAFRN CCCNC(=O)C1(CCCCP(=O)(OCC)OCC)c2ccccc2-c2ccccc21 ZINC000013488988 562989831 /nfs/dbraw/zinc/98/98/31/562989831.db2.gz UTHONZKRSSGOIT-UHFFFAOYSA-N 0 0 443.524 5.916 1 0 IKAFRN CCOc1cc2ncnc(Nc3cc(-c4csc(C)n4)c(F)cc3F)c2cc1OCC ZINC000013490809 562990290 /nfs/dbraw/zinc/99/02/90/562990290.db2.gz GJFQLFAPVMMQJJ-UHFFFAOYSA-N 0 0 442.491 5.881 1 0 IKAFRN CCOc1cc2nc(Cl)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490821 562990296 /nfs/dbraw/zinc/99/02/96/562990296.db2.gz TVGRVXRVEJWDJG-UHFFFAOYSA-N 0 0 440.956 6.256 1 0 IKAFRN CCC[C@@H](O)CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1 ZINC000013490924 562990381 /nfs/dbraw/zinc/99/03/81/562990381.db2.gz SHPZIIKLLBPVTQ-OAQYLSRUSA-N 0 0 445.481 6.545 1 0 IKAFRN COC(=O)c1cccc(CN(C[C@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490923 562990404 /nfs/dbraw/zinc/99/04/04/562990404.db2.gz DPAOSJVQJAIHRV-QFIPXVFZSA-N 0 0 445.437 5.195 1 0 IKAFRN C[S@](=O)c1ccc(CCSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000013491677 562990532 /nfs/dbraw/zinc/99/05/32/562990532.db2.gz NPADBIOEWOOPSK-SSEXGKCCSA-N 0 0 437.565 5.350 1 0 IKAFRN C[S@@](=O)c1ccc(CSc2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000013491671 562990535 /nfs/dbraw/zinc/99/05/35/562990535.db2.gz BXPRVORBTUKYAU-LJAQVGFWSA-N 0 0 439.993 5.822 1 0 IKAFRN CCc1ccccc1NC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000013493825 562990884 /nfs/dbraw/zinc/99/08/84/562990884.db2.gz CAEMDLPHEUIRPI-UHFFFAOYSA-N 0 0 428.319 6.452 1 0 IKAFRN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1 ZINC000013493388 562990928 /nfs/dbraw/zinc/99/09/28/562990928.db2.gz IBFGWVALMOAFKU-LICLKQGHSA-N 0 0 449.576 5.019 1 0 IKAFRN Nc1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000013518327 562991170 /nfs/dbraw/zinc/99/11/70/562991170.db2.gz IUPYVYLRNUFHTP-UHFFFAOYSA-N 0 0 431.560 7.562 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1N(C)C)Oc1ccc(F)cc1-3 ZINC000013527242 562991768 /nfs/dbraw/zinc/99/17/68/562991768.db2.gz CWXNSHLNBNLSSS-QFEZKATASA-N 0 0 426.535 7.057 1 0 IKAFRN CC(C)CCNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)n[nH]c21 ZINC000013531367 562992038 /nfs/dbraw/zinc/99/20/38/562992038.db2.gz QMMQDBYLTNBXDE-UHFFFAOYSA-N 0 0 427.357 5.129 1 0 IKAFRN CC(C)=CCNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)n[nH]c21 ZINC000013531373 562992158 /nfs/dbraw/zinc/99/21/58/562992158.db2.gz VXHQUMOJXJDXOX-UHFFFAOYSA-N 0 0 425.341 5.049 1 0 IKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC3CCCC3)sc2c1 ZINC000013534050 562992231 /nfs/dbraw/zinc/99/22/31/562992231.db2.gz GZCJXHBOLVLPIV-UHFFFAOYSA-N 0 0 428.945 5.575 1 0 IKAFRN Cc1cc(C)c(NC(=O)c2cc3sc(=NC(=O)OC(C)(C)C)[nH]c3c(C)c2)c(C)c1 ZINC000013533823 562992268 /nfs/dbraw/zinc/99/22/68/562992268.db2.gz WASNBRQPPBDKJL-UHFFFAOYSA-N 0 0 425.554 6.129 1 0 IKAFRN CCC(C)(C)c1ccc(Oc2ccc(C(=O)NCc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000013551604 562992772 /nfs/dbraw/zinc/99/27/72/562992772.db2.gz JMOLVPHADDOKKA-UHFFFAOYSA-N 0 0 433.548 6.114 1 0 IKAFRN CCCCN(CCCC)c1cc(C)nc2c1nn(CCC)c2-c1ccc(Cl)cc1Cl ZINC000013553403 562992863 /nfs/dbraw/zinc/99/28/63/562992863.db2.gz NWTNSJUZFWVFKP-UHFFFAOYSA-N 0 0 447.454 7.530 1 0 IKAFRN CCCCN(CCCC)c1cc(C)nc2c1nn(C(C)C)c2-c1ccc(Cl)cc1Cl ZINC000013553404 562992864 /nfs/dbraw/zinc/99/28/64/562992864.db2.gz WDIQROGJMLSXOC-UHFFFAOYSA-N 0 0 447.454 7.701 1 0 IKAFRN CCCCN(C[C@H]1CCCO1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553438 562992899 /nfs/dbraw/zinc/99/28/99/562992899.db2.gz MAQVSDVHYXUDFI-QGZVFWFLSA-N 0 0 447.410 6.036 1 0 IKAFRN CCCCN(CCCOC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553435 562992901 /nfs/dbraw/zinc/99/29/01/562992901.db2.gz VEYVCKVDJGSYIN-UHFFFAOYSA-N 0 0 435.399 5.894 1 0 IKAFRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(NC2CCCCC2)nc1C(F)(F)F ZINC000013555177 562993115 /nfs/dbraw/zinc/99/31/15/562993115.db2.gz UJEMQSTUVYRJHK-UHFFFAOYSA-N 0 0 433.261 5.799 1 0 IKAFRN CCO[P@@](=O)(c1ccccc1)N1CCCC(c2ccc(Cl)c(C(F)(F)F)c2)=N1 ZINC000013557140 562993315 /nfs/dbraw/zinc/99/33/15/562993315.db2.gz XTPVKHATMKPMHS-NDEPHWFRSA-N 0 0 430.794 5.714 1 0 IKAFRN CCCCCCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC)cc2)cc1 ZINC000013557946 562993520 /nfs/dbraw/zinc/99/35/20/562993520.db2.gz VZPRLQDZICJOFN-UHFFFAOYSA-N 0 0 446.547 6.159 1 0 IKAFRN Oc1ccc(-c2oc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1 ZINC000013558568 562993593 /nfs/dbraw/zinc/99/35/93/562993593.db2.gz SRBWFGWSNXOIMF-UHFFFAOYSA-N 0 0 436.463 6.770 1 0 IKAFRN CC=C1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)(C)O)C[C@H]1O ZINC000013558806 562993615 /nfs/dbraw/zinc/99/36/15/562993615.db2.gz SUUQQKHQTOSJCI-BXYLFLKSSA-N 0 0 430.673 6.095 1 0 IKAFRN O=Nc1c2ccc(Br)cc2[nH]c1C1C(=O)Nc2cc(Br)ccc21 ZINC000013559447 562993912 /nfs/dbraw/zinc/99/39/12/562993912.db2.gz QJGBZTRYFRVOPY-UHFFFAOYSA-N 0 0 435.075 5.945 1 0 IKAFRN COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)c(=O)o2)cc1 ZINC000013581306 562994594 /nfs/dbraw/zinc/99/45/94/562994594.db2.gz JFSOAPWHDSIWHR-UHFFFAOYSA-N 0 0 432.497 5.053 1 0 IKAFRN Oc1ccc(-c2nn3c(nc(-c4ccccc4)cc3-c3ccccc3)c2-c2ccccc2)cc1 ZINC000013585028 562994993 /nfs/dbraw/zinc/99/49/93/562994993.db2.gz ZOAAIGANFXCGQR-UHFFFAOYSA-N 0 0 439.518 7.103 1 0 IKAFRN O=C(NC1CCCCC1)c1ccc2[nH]c(-c3ccc(NC(=O)C4CCCCC4)cc3)nc2c1 ZINC000013586372 562995350 /nfs/dbraw/zinc/99/53/50/562995350.db2.gz XHYOVBJBMRTOAX-UHFFFAOYSA-N 0 0 444.579 5.811 1 0 IKAFRN COc1ccccc1Sc1ccc2c(n1)CNC(=O)N2c1c(Cl)cccc1Cl ZINC000013587251 562995628 /nfs/dbraw/zinc/99/56/28/562995628.db2.gz NQNGEKBGISIOGE-UHFFFAOYSA-N 0 0 432.332 5.910 1 0 IKAFRN COc1ccc(CSc2ccc3c(n2)CNC(=O)N3c2c(Cl)cccc2Cl)cc1 ZINC000013587260 562995651 /nfs/dbraw/zinc/99/56/51/562995651.db2.gz JNLNUJWPPDDIOB-UHFFFAOYSA-N 0 0 446.359 6.051 1 0 IKAFRN Cc1cccc(C)c1Sc1ccc2c(n1)CNC(=O)N2c1c(Cl)cccc1Cl ZINC000013587245 562995653 /nfs/dbraw/zinc/99/56/53/562995653.db2.gz VQKZUBKJYLJTPX-UHFFFAOYSA-N 0 0 430.360 6.518 1 0 IKAFRN CCCC[C@H](NC(=O)OC(CC(C)C)CC(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000013589446 562996389 /nfs/dbraw/zinc/99/63/89/562996389.db2.gz JLHJIXXQYOXDES-KNQAVFIVSA-N 0 0 432.605 5.179 1 0 IKAFRN CCN1c2ncc(CSc3ccncc3C)cc2C(=O)Nc2c(C)cc(Cl)nc21 ZINC000013589472 562996407 /nfs/dbraw/zinc/99/64/07/562996407.db2.gz YVVGGNNZPPNCKL-UHFFFAOYSA-N 0 0 425.945 5.158 1 0 IKAFRN CCN1c2ncc(CSc3cc(C)nc(C)c3)cc2C(=O)Nc2c(C)cc(Cl)nc21 ZINC000013589473 562996414 /nfs/dbraw/zinc/99/64/14/562996414.db2.gz KPVDIIPFHYNTLD-UHFFFAOYSA-N 0 0 439.972 5.466 1 0 IKAFRN COc1ccc([C@H]2CC(=O)N(Cc3ccc(Br)cc3)C2)cc1OC1CCCC1 ZINC000013600184 562996747 /nfs/dbraw/zinc/99/67/47/562996747.db2.gz UBNAXKVAGIAFDG-SFHVURJKSA-N 0 0 444.369 5.295 1 0 IKAFRN COCOc1cc(-c2ccccc2)ccc1-c1ccc(C(=O)OC[C@@H](C)CC(C)(C)C)cc1 ZINC000013603824 562997069 /nfs/dbraw/zinc/99/70/69/562997069.db2.gz NRDZJCPQCVQANM-NRFANRHFSA-N 0 0 446.587 7.232 1 0 IKAFRN COc1ccc(C2=C(OC(=O)c3cccnc3)c3cccn3-c3ccccc3S2)cc1 ZINC000013603870 562997072 /nfs/dbraw/zinc/99/70/72/562997072.db2.gz WROLJGOKBKDIQB-UHFFFAOYSA-N 0 0 426.497 5.669 1 0 IKAFRN COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000013604449 562997108 /nfs/dbraw/zinc/99/71/08/562997108.db2.gz UOAGRQSXJQWOLW-ZEQKJWHPSA-N 0 0 431.532 5.439 1 0 IKAFRN Cc1ccc(C(c2ccc(C)cc2)[S@@](=O)c2ncccc2C(=O)Nc2ccncc2)cc1 ZINC000013605263 562997205 /nfs/dbraw/zinc/99/72/05/562997205.db2.gz OJGOUOFUNRKTBB-YTTGMZPUSA-N 0 0 441.556 5.243 1 0 IKAFRN Cc1ccc(C(c2ccc(C)cc2)[S@](=O)c2ncccc2C(=O)Nc2ccncc2)cc1 ZINC000013605265 562997213 /nfs/dbraw/zinc/99/72/13/562997213.db2.gz OJGOUOFUNRKTBB-JGCGQSQUSA-N 0 0 441.556 5.243 1 0 IKAFRN c1ccc(-c2nnc3c4c(c(OCc5ccc6ccccc6n5)nn23)C2CCC4CC2)cc1 ZINC000013610299 562997737 /nfs/dbraw/zinc/99/77/37/562997737.db2.gz SGVYZSLDFHARFK-UHFFFAOYSA-N 0 0 433.515 5.673 1 0 IKAFRN CCCN(c1nc(-c2ccc(OC)cc2C)n(C)n1)[C@@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000013610700 562997743 /nfs/dbraw/zinc/99/77/43/562997743.db2.gz UURGHNMLHGJHLO-NRFANRHFSA-N 0 0 446.517 6.186 1 0 IKAFRN c1ccc(-c2nnc3c4c(c(OCc5nccc6ccccc65)nn23)C2CCC4CC2)cc1 ZINC000013610296 562997801 /nfs/dbraw/zinc/99/78/01/562997801.db2.gz SSJXJXJUHUAOQL-UHFFFAOYSA-N 0 0 433.515 5.673 1 0 IKAFRN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH]cc(CC[NH+](C)C)c2c1 ZINC000013611718 562997826 /nfs/dbraw/zinc/99/78/26/562997826.db2.gz ZHONXOSWPFCSGQ-UHFFFAOYSA-N 0 0 448.013 5.249 1 0 IKAFRN NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)cc3)nc2c1 ZINC000013612083 562997919 /nfs/dbraw/zinc/99/79/19/562997919.db2.gz CMWOTYZIHHRJRP-UHFFFAOYSA-N 0 0 431.801 5.793 1 0 IKAFRN C[C@@H]1CN(c2ncccc2C(F)(F)F)C[C@H](C)N1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000013611998 562997973 /nfs/dbraw/zinc/99/79/73/562997973.db2.gz WBTAUPAESBEXBG-BETUJISGSA-N 0 0 446.395 5.250 1 0 IKAFRN C[C@H]1CN(c2ncccc2C(F)(F)F)[C@@H](C)CN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000013612002 562997993 /nfs/dbraw/zinc/99/79/93/562997993.db2.gz QJNOWROIDIKPST-STQMWFEESA-N 0 0 446.395 5.250 1 0 IKAFRN CCO[C@@H]1OC(C(=O)Nc2ccccc2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000013635008 562998182 /nfs/dbraw/zinc/99/81/82/562998182.db2.gz WCGKQZSRGMYXIA-TXTKFYIRSA-N 0 0 449.469 5.093 3 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)c(F)c4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C\I ZINC000013651621 562999299 /nfs/dbraw/zinc/99/92/99/562999299.db2.gz QUVCCEPCXNTKAQ-YWDAJHKNSA-N 0 0 442.312 5.067 1 0 IKAFRN COc1ccc2cc([C@H](C)C(=O)OC[C@@]3(C)COc4c3c(C)c(O)c(C)c4C)ccc2c1 ZINC000013652333 562999355 /nfs/dbraw/zinc/99/93/55/562999355.db2.gz QNVKQZSQJKZVRB-CBZJRKILSA-N 0 0 434.532 5.476 1 0 IKAFRN COc1ccc2cc(CC(=O)OCC[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)ccc2c1 ZINC000013652330 562999367 /nfs/dbraw/zinc/99/93/67/562999367.db2.gz PRZWDAPJKQMRJP-NDEPHWFRSA-N 0 0 448.559 5.739 1 0 IKAFRN Cc1ccc(-c2ccc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661825 562999780 /nfs/dbraw/zinc/99/97/80/562999780.db2.gz YSRZWGRSLGAGHJ-MDZVADFISA-N 0 0 425.547 6.857 3 0 IKAFRN COc1ccc(-c2cc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013662043 562999790 /nfs/dbraw/zinc/99/97/90/562999790.db2.gz LBTCHHGRAPTJFO-MDZVADFISA-N 0 0 441.546 6.557 3 0 IKAFRN COc1ccc(Br)cc1[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013661978 562999791 /nfs/dbraw/zinc/99/97/91/562999791.db2.gz KNRYFEGKCSWVBJ-IEIRFRATSA-N 0 0 426.354 5.514 3 0 IKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccs2)[C@H]1O ZINC000013673056 563000118 /nfs/dbraw/zinc/00/01/18/563000118.db2.gz QBOCRPMYXMQJKK-XZOQPEGZSA-N 0 0 449.682 5.461 1 0 IKAFRN CCCCC1(CCCC)CS(=O)(=O)c2cc(N(C)C)ccc2[C@@H](c2ccccc2)[C@H]1O ZINC000013672999 563000129 /nfs/dbraw/zinc/00/01/29/563000129.db2.gz CQGUHTPPLHLZRR-JWQCQUIFSA-N 0 0 443.653 5.400 1 0 IKAFRN COCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 ZINC000013673672 563000241 /nfs/dbraw/zinc/00/02/41/563000241.db2.gz ACOWAIUKUFGHLY-UHFFFAOYSA-N 0 0 433.537 5.082 1 0 IKAFRN Nc1nnc2[n-][nH+]c(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)c1-2 ZINC000013674770 563000380 /nfs/dbraw/zinc/00/03/80/563000380.db2.gz KQMSZRUMQWJYMW-UHFFFAOYSA-N 0 0 439.522 6.603 1 0 IKAFRN CC[C@@]1(c2ccc(COc3cccc(Cl)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675339 563000409 /nfs/dbraw/zinc/00/04/09/563000409.db2.gz TWHRAFICIVSMBQ-MHZLTWQESA-N 0 0 443.930 6.590 1 0 IKAFRN CCOc1ccc(CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000013677552 563000653 /nfs/dbraw/zinc/00/06/53/563000653.db2.gz OUHALYRPVGQDOR-UHFFFAOYSA-N 0 0 435.376 5.667 1 0 IKAFRN O=C1[C@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000013680152 563000884 /nfs/dbraw/zinc/00/08/84/563000884.db2.gz QGYPCSASJKJMAT-IBGZPJMESA-N 0 0 431.706 6.361 1 0 IKAFRN CC(C)N(C(=O)CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000013682507 563000923 /nfs/dbraw/zinc/00/09/23/563000923.db2.gz FEYGDRFAPXYVOO-UHFFFAOYSA-N 0 0 433.392 5.373 1 0 IKAFRN C[C@H](NC(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O)c1ccccc1 ZINC000013681894 563000930 /nfs/dbraw/zinc/00/09/30/563000930.db2.gz VYRBSTNFIWINRM-QAHBIFLBSA-N 0 0 431.576 5.311 1 0 IKAFRN O=C(Nc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1)c1ccccc1 ZINC000013682566 563001045 /nfs/dbraw/zinc/00/10/45/563001045.db2.gz OGWNBHZZNNNNDE-UHFFFAOYSA-N 0 0 439.462 6.825 3 0 IKAFRN COC(=O)c1ccc(C2=NO[C@@](C)(c3sc(-c4ccc(Cl)cc4)nc3C)C2)cc1 ZINC000013682696 563001071 /nfs/dbraw/zinc/00/10/71/563001071.db2.gz DIAFXVJJVAKDRY-JOCHJYFZSA-N 0 0 426.925 5.598 3 0 IKAFRN Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(COCc2ccccc2)n1 ZINC000013685975 563001114 /nfs/dbraw/zinc/00/11/14/563001114.db2.gz YHNPYJODGMGFSJ-UHFFFAOYSA-N 0 0 445.954 5.290 1 0 IKAFRN CC(C)Oc1cccc(-n2c(=O)c3ccccc3nc2[C@@H](C)Cc2c[nH]c3ccccc23)c1 ZINC000013725288 563001324 /nfs/dbraw/zinc/00/13/24/563001324.db2.gz WVXCNBCXGRBJPK-IBGZPJMESA-N 0 0 437.543 6.000 1 0 IKAFRN CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(Cl)cccc2n1 ZINC000013728660 563001508 /nfs/dbraw/zinc/00/15/08/563001508.db2.gz YXSJOABXRQMQKO-UHFFFAOYSA-N 0 0 441.922 5.877 1 0 IKAFRN Cc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cc(Cl)ccc2n1 ZINC000013728670 563001526 /nfs/dbraw/zinc/00/15/26/563001526.db2.gz YRHGNIOGGTUMIF-UHFFFAOYSA-N 0 0 427.895 5.623 1 0 IKAFRN CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cccc(Cl)c2n1 ZINC000013728698 563001538 /nfs/dbraw/zinc/00/15/38/563001538.db2.gz NPGVOFMRLSPTIT-UHFFFAOYSA-N 0 0 441.922 5.877 1 0 IKAFRN Cc1cc(Cl)ccc1C(OCC[N@@H+]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1C ZINC000013729423 563001637 /nfs/dbraw/zinc/00/16/37/563001637.db2.gz KMNGHCRUSOVTAT-KRWDZBQOSA-N 0 0 436.379 5.513 1 0 IKAFRN CC1=CC(=O)O[C@H](CSc2nc(-c3cccc(Cl)c3)c(-c3cccc(Cl)c3)[nH]2)C1 ZINC000013730540 563001815 /nfs/dbraw/zinc/00/18/15/563001815.db2.gz OZZSUPKATKRUAT-SFHVURJKSA-N 0 0 445.371 6.404 1 0 IKAFRN CC(=O)O[C@H]1c2c(c3c(c4c(-c5ccccc5)cc(=O)oc42)OC(C)(C)C=C3)O[C@H](C)[C@H]1C ZINC000013732263 563001877 /nfs/dbraw/zinc/00/18/77/563001877.db2.gz DDHWWLULUFLVOI-GGOJBBCOSA-N 0 0 446.499 5.665 1 0 IKAFRN CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1 ZINC000013736592 563002414 /nfs/dbraw/zinc/00/24/14/563002414.db2.gz YEIKTHDDKVISCI-APWZRJJASA-N 0 0 446.524 5.583 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(CC(C)(C)C)cc2)CCCC1 ZINC000013736810 563002449 /nfs/dbraw/zinc/00/24/49/563002449.db2.gz ZOELJTWZCYDRGJ-UHFFFAOYSA-N 0 0 448.695 8.156 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000013737228 563002481 /nfs/dbraw/zinc/00/24/81/563002481.db2.gz GHXVJPSAEFEGAN-XMMPIXPASA-N 0 0 444.579 5.621 1 0 IKAFRN Cc1ccccc1-c1c(NC(=O)Nc2ccc(F)cc2F)cnc2cc(Cl)c(C)cc21 ZINC000013737646 563002569 /nfs/dbraw/zinc/00/25/69/563002569.db2.gz TUEBOSIKZUMQNB-UHFFFAOYSA-N 0 0 437.877 7.094 1 0 IKAFRN O=C(Nc1ccc(F)cc1F)Nc1cnc2ccc(Cl)cc2c1-c1cccc(Cl)c1 ZINC000013737636 563002598 /nfs/dbraw/zinc/00/25/98/563002598.db2.gz PWAPFWGSOGTQNG-UHFFFAOYSA-N 0 0 444.268 7.131 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)NC(c1ccccc1)c1ccccc1 ZINC000013738015 563002799 /nfs/dbraw/zinc/00/27/99/563002799.db2.gz UFMLZOZFSIWYSN-UHFFFAOYSA-N 0 0 430.548 6.521 1 0 IKAFRN Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000013738235 563002813 /nfs/dbraw/zinc/00/28/13/563002813.db2.gz OCFCLXVHANWHBW-UHFFFAOYSA-N 0 0 436.386 5.980 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000013738005 563002827 /nfs/dbraw/zinc/00/28/27/563002827.db2.gz ILPWTRSESJAHLJ-UHFFFAOYSA-N 0 0 443.591 6.877 1 0 IKAFRN CC(=O)Nc1ccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000013741230 563003244 /nfs/dbraw/zinc/00/32/44/563003244.db2.gz LCSOXNKUFUMICN-NDEPHWFRSA-N 0 0 448.566 5.877 1 0 IKAFRN CCCC(=O)c1cnc2c(OCCCC(=O)OCC)cccc2c1Nc1ccccc1C ZINC000013742231 563003395 /nfs/dbraw/zinc/00/33/95/563003395.db2.gz DQZCVPUXHVDGMO-UHFFFAOYSA-N 0 0 434.536 5.992 1 0 IKAFRN COc1ccccc1CN(C)Cc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C ZINC000013742634 563003528 /nfs/dbraw/zinc/00/35/28/563003528.db2.gz GLOQARJVIRHMJL-UHFFFAOYSA-N 0 0 426.560 5.463 1 0 IKAFRN COc1cccc([C@H]2CCc3ccccc3[C@H]2NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000013755654 563004322 /nfs/dbraw/zinc/00/43/22/563004322.db2.gz ZFRGDGGCVIMPFS-PQHLKRTFSA-N 0 0 447.578 6.415 1 0 IKAFRN O=C(N[C@@H]1c2cc(O)ccc2CC[C@@H]1c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000013755676 563004326 /nfs/dbraw/zinc/00/43/26/563004326.db2.gz UQCXBSDLQFUVAF-UHSQPCAPSA-N 0 0 433.551 6.112 1 0 IKAFRN O=C(N[C@@H]1c2ccccc2CC[C@@H]1c1ccccc1O)C(c1ccccc1)c1ccccc1 ZINC000013755650 563004336 /nfs/dbraw/zinc/00/43/36/563004336.db2.gz UNDZFRDGNNEQDT-GGXMVOPNSA-N 0 0 433.551 6.112 1 0 IKAFRN O=C(CCC[C@@H](C1CCCC1)C(F)(F)F)N1[C@H](C(=O)N2CCCC2)C[C@@H]2CCCC[C@@H]21 ZINC000013756452 563004466 /nfs/dbraw/zinc/00/44/66/563004466.db2.gz UOLCENYHJULYKC-TUFLPTIASA-N 0 0 442.566 5.308 1 0 IKAFRN CCCN(CC1CC1)c1nc(C)nc(N(C)c2c(Cl)cc(Cl)cc2Cl)c1C ZINC000013759984 563004879 /nfs/dbraw/zinc/00/48/79/563004879.db2.gz QNGYAHPJWIACBK-UHFFFAOYSA-N 0 0 427.807 6.448 1 0 IKAFRN COC(=O)[C@H](NC(=O)c1cc(-c2cc3ccccc3o2)nc2ccccc21)c1ccccc1 ZINC000013762374 563005376 /nfs/dbraw/zinc/00/53/76/563005376.db2.gz ZLODJFMIOPIMTQ-RUZDIDTESA-N 0 0 436.467 5.292 1 0 IKAFRN COC(=O)[C@@H](NC(=O)c1c2ccccc2nc2c1CCCc1ccccc1-2)c1ccccc1 ZINC000013762428 563005441 /nfs/dbraw/zinc/00/54/41/563005441.db2.gz WLBJZIMRAJXAKP-VWLOTQADSA-N 0 0 436.511 5.035 1 0 IKAFRN CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2c(Br)cc(C)cn12 ZINC000013765537 563005590 /nfs/dbraw/zinc/00/55/90/563005590.db2.gz FVJQCAWMZZWVMC-UHFFFAOYSA-N 0 0 428.374 5.263 1 0 IKAFRN Clc1cc(CO[C@@H]2c3ccc(Cl)cc3S[C@@H]2Cn2ccnc2)c(Cl)s1 ZINC000013775762 563005696 /nfs/dbraw/zinc/00/56/96/563005696.db2.gz AKWKORXLGBQLAL-GDBMZVCRSA-N 0 0 431.797 6.337 1 0 IKAFRN Clc1ccc2c(c1)S[C@@H](Cn1ccnc1)[C@H]2OCc1ccc(Cl)cc1Cl ZINC000013775791 563005799 /nfs/dbraw/zinc/00/57/99/563005799.db2.gz GDQODJLFRNJZPE-OALUTQOASA-N 0 0 425.768 6.276 1 0 IKAFRN Cc1cc([C@@H]2Oc3ccc(Cl)cc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)ccc1Cl ZINC000013777192 563005953 /nfs/dbraw/zinc/00/59/53/563005953.db2.gz SSFWXDSRZJERKU-VWLOTQADSA-N 0 0 436.382 8.058 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(Br)nc1)Oc1ccccc1-3 ZINC000013777140 563005963 /nfs/dbraw/zinc/00/59/63/563005963.db2.gz IZMLMXPILRMTIR-HSZRJFAPSA-N 0 0 433.349 6.600 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Br)cc1)Oc1ccccc1-3 ZINC000013777095 563005966 /nfs/dbraw/zinc/00/59/66/563005966.db2.gz POYMYRFGHYKMSL-DEOSSOPVSA-N 0 0 432.361 7.205 1 0 IKAFRN CCCCC[C@H](C)OC(=O)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013778591 563006015 /nfs/dbraw/zinc/00/60/15/563006015.db2.gz BTEMHWUCOCXSLE-OFVILXPXSA-N 0 0 437.624 7.168 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3ccsc3)cc2)C2CCCCCC2)c(C)c1 ZINC000013779968 563006308 /nfs/dbraw/zinc/00/63/08/563006308.db2.gz DJSRVEKEKCGUQQ-UHFFFAOYSA-N 0 0 446.660 8.097 1 0 IKAFRN CCOC(=O)c1ncc2c(c3cc(OCc4cccc5ccccc54)ccc3n2C)c1CC ZINC000013780138 563006406 /nfs/dbraw/zinc/00/64/06/563006406.db2.gz MTKGKPGOTHURGV-UHFFFAOYSA-N 0 0 438.527 6.198 1 0 IKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(Br)c1)Oc1ccccc1-3 ZINC000013781701 563006702 /nfs/dbraw/zinc/00/67/02/563006702.db2.gz SIBOLJWNOCJSKE-UCQKPKSFSA-N 0 0 444.372 7.614 1 0 IKAFRN CCCCN(CC)c1cc(C)nc(N(CC)c2ccc(C(C)=O)cc2Br)n1 ZINC000013794478 563007014 /nfs/dbraw/zinc/00/70/14/563007014.db2.gz LVCIPIXTPJVZBL-UHFFFAOYSA-N 0 0 433.394 5.535 1 0 IKAFRN CCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(Br)cc2Cl)n1 ZINC000013794494 563007019 /nfs/dbraw/zinc/00/70/19/563007019.db2.gz UWZGCBKUBPSOFQ-UHFFFAOYSA-N 0 0 432.193 5.859 1 0 IKAFRN CCC(CC)CNc1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 ZINC000013794425 563007095 /nfs/dbraw/zinc/00/70/95/563007095.db2.gz QXDTXIVLCGPCNN-UHFFFAOYSA-N 0 0 433.438 6.677 1 0 IKAFRN CCCCN(CC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794707 563007123 /nfs/dbraw/zinc/00/71/23/563007123.db2.gz CMZMJLNVDKOJIQ-UHFFFAOYSA-N 0 0 431.382 5.031 1 0 IKAFRN CCCC[C@@H](CC)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794763 563007150 /nfs/dbraw/zinc/00/71/50/563007150.db2.gz URKVGMJFEGLMIB-MRXNPFEDSA-N 0 0 445.409 5.786 1 0 IKAFRN CCC[C@@H](CC)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794756 563007166 /nfs/dbraw/zinc/00/71/66/563007166.db2.gz DKFOZDMJEAPJFB-OAHLLOKOSA-N 0 0 431.382 5.395 1 0 IKAFRN CCCC[C@H](CC)Oc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794903 563007196 /nfs/dbraw/zinc/00/71/96/563007196.db2.gz LNFDMCDSXCFDJA-INIZCTEOSA-N 0 0 446.393 5.752 1 0 IKAFRN CCCC[C@@H](CC)Nc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794859 563007213 /nfs/dbraw/zinc/00/72/13/563007213.db2.gz HSKXPCSIBAPTEP-QGZVFWFLSA-N 0 0 444.421 6.391 1 0 IKAFRN CCC[C@H](CC)Nc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794856 563007217 /nfs/dbraw/zinc/00/72/17/563007217.db2.gz NETDPOYYGYQJTL-INIZCTEOSA-N 0 0 430.394 6.000 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cccnc3)c1C)CC2 ZINC000013806152 563008402 /nfs/dbraw/zinc/00/84/02/563008402.db2.gz QGKVYGWDMOWGKN-UHFFFAOYSA-N 0 0 427.426 5.679 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cncc(-c3cc(F)cc(F)c3)c1)CC2 ZINC000013806109 563008403 /nfs/dbraw/zinc/00/84/03/563008403.db2.gz WZSHMSZLYVIMJC-UHFFFAOYSA-N 0 0 449.379 5.649 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C)c(-c3cnccc3C)c1)CC2 ZINC000013806140 563008414 /nfs/dbraw/zinc/00/84/14/563008414.db2.gz CBYNVWMUBJNWTI-UHFFFAOYSA-N 0 0 441.453 5.987 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3cccnc3)ccc1F)CC2 ZINC000013806150 563008436 /nfs/dbraw/zinc/00/84/36/563008436.db2.gz NTNQMMLNOPGXJA-UHFFFAOYSA-N 0 0 431.389 5.510 1 0 IKAFRN COc1cc(OC)c2c(c1)oc(=O)cc2-c1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000013814091 563009175 /nfs/dbraw/zinc/00/91/75/563009175.db2.gz ZKUQWXFLOVXRGL-UHFFFAOYSA-N 0 0 426.390 6.163 3 0 aggregator IKAFRN O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NCCc1ccccc1 ZINC000013814716 563009200 /nfs/dbraw/zinc/00/92/00/563009200.db2.gz KBMHUBSUTUOSBV-JLHYYAGUSA-N 0 0 428.384 6.517 1 0 IKAFRN COc1cc2oc(=O)cc(-c3ccc(-c4ccc(N(C)C)cc4)cc3)c2c(OC)c1OC ZINC000013814066 563009232 /nfs/dbraw/zinc/00/92/32/563009232.db2.gz NTDUYUJLCIVPOB-UHFFFAOYSA-N 0 0 431.488 5.219 3 0 IKAFRN C[C@H](NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3)c1ccccc1 ZINC000013817399 563009574 /nfs/dbraw/zinc/00/95/74/563009574.db2.gz COGMNWRZIWEDJB-OALUTQOASA-N 0 0 427.548 5.039 1 0 IKAFRN O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1cccc(C(F)(F)F)c1 ZINC000013821521 563010051 /nfs/dbraw/zinc/01/00/51/563010051.db2.gz LCPFOKSQZRDCHH-UHFFFAOYSA-N 0 0 433.433 5.671 1 0 IKAFRN O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1ccccc1C(F)(F)F ZINC000013821566 563010055 /nfs/dbraw/zinc/01/00/55/563010055.db2.gz NZHKNCGTRGCNDZ-UHFFFAOYSA-N 0 0 433.433 5.671 1 0 IKAFRN CCCCCNC(=O)Nc1c(OCCCn2ccnc2-c2ccccc2)cccc1N(C)C ZINC000013827592 563010687 /nfs/dbraw/zinc/01/06/87/563010687.db2.gz DMCPUDAATOTVFE-UHFFFAOYSA-N 0 0 449.599 5.397 1 0 IKAFRN Cc1c(-c2ccccc2)ncn1CCCOc1cccc(C)c1NC(=O)NC1CCCCC1 ZINC000013827683 563010693 /nfs/dbraw/zinc/01/06/93/563010693.db2.gz MEHWGATUJGCLAW-UHFFFAOYSA-N 0 0 446.595 6.090 1 0 IKAFRN CCCCCC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C ZINC000013827541 563010727 /nfs/dbraw/zinc/01/07/27/563010727.db2.gz JJZDMZHYPPAQNX-UHFFFAOYSA-N 0 0 434.584 5.604 1 0 IKAFRN CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2C)c1 ZINC000013827740 563010768 /nfs/dbraw/zinc/01/07/68/563010768.db2.gz PDYURNPQMRFRDC-UHFFFAOYSA-N 0 0 434.584 5.948 1 0 IKAFRN Cc1c(-c2ccccc2)ncn1CCCOc1cccc(C)c1NC(=O)NCCC(C)C ZINC000013827688 563010778 /nfs/dbraw/zinc/01/07/78/563010778.db2.gz FJKZJUQWARPOKU-UHFFFAOYSA-N 0 0 434.584 5.804 1 0 IKAFRN C[C@]12CCC=C[C@@H]1[C@@H](c1ccc(/C=C/c3ccccc3)cc1F)N(Cc1ccccc1)C2=O ZINC000013830526 563011013 /nfs/dbraw/zinc/01/10/13/563011013.db2.gz ODWPOIWZPBWHQI-QSBNGNOLSA-N 0 0 437.558 7.052 1 0 IKAFRN C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(F)c(/C=C/c2ccccc2)c1 ZINC000013830262 563011020 /nfs/dbraw/zinc/01/10/20/563011020.db2.gz IJIJLKCYGJLICK-LYWFGWHVSA-N 0 0 437.558 6.908 1 0 IKAFRN COc1ccc(Br)cc1[C@@H]1[C@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013829797 563011031 /nfs/dbraw/zinc/01/10/31/563011031.db2.gz KNRYFEGKCSWVBJ-KJXAQDMKSA-N 0 0 426.354 5.514 1 0 IKAFRN COc1ccc(-c2ccc(C)cc2)cc1[C@@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013829910 563011032 /nfs/dbraw/zinc/01/10/32/563011032.db2.gz UYTCXJUVDNZGAE-CVXIRMMQSA-N 0 0 437.583 6.727 1 0 IKAFRN Cc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830534 563011128 /nfs/dbraw/zinc/01/11/28/563011128.db2.gz IKMYLWAYVUFRCF-BZPPDAAYSA-N 0 0 425.547 6.713 1 0 IKAFRN COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830671 563011139 /nfs/dbraw/zinc/01/11/39/563011139.db2.gz VQWJEKXDIGIDCM-BOSLPAGOSA-N 0 0 441.546 6.557 1 0 IKAFRN C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc2ccccc2c1Br ZINC000013830564 563011153 /nfs/dbraw/zinc/01/11/53/563011153.db2.gz GQOBBRUOMREMLT-JKJBLDBHSA-N 0 0 446.388 6.514 1 0 IKAFRN O=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(I)cc1 ZINC000013833483 563011748 /nfs/dbraw/zinc/01/17/48/563011748.db2.gz YGWDYNZZLCECCG-UHFFFAOYSA-N 0 0 434.321 5.315 1 0 IKAFRN COc1cc(CCc2ccc(-c3cc4ccccc4c4nccn43)cc2)cc(OC)c1OC ZINC000013833380 563011777 /nfs/dbraw/zinc/01/17/77/563011777.db2.gz AOSZVNGZOCQVGX-UHFFFAOYSA-N 0 0 438.527 5.966 1 0 IKAFRN Cc1ccc(C(=O)N2Cc3sc4ccccc4c3C[C@@H]2C(=O)NC2CCCCC2)cc1 ZINC000013833828 563011914 /nfs/dbraw/zinc/01/19/14/563011914.db2.gz JPQWISDTBHHRON-JOCHJYFZSA-N 0 0 432.589 5.226 1 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(Cl)c(Cl)c1 ZINC000013835225 563012165 /nfs/dbraw/zinc/01/21/65/563012165.db2.gz INENAPRMWVFCIT-XIKCKBGFSA-N 0 0 431.403 6.529 1 0 IKAFRN COc1cc2nccc(Oc3ccc(C(=O)c4ccc(C(C)(C)C)cc4)cc3)c2cc1OC ZINC000013859484 563012331 /nfs/dbraw/zinc/01/23/31/563012331.db2.gz IBXFZLDPLQETKT-UHFFFAOYSA-N 0 0 441.527 6.573 1 0 IKAFRN O=C([O-])c1ccc2c(c1)[C@H](SCC[N@@H+]1CCc3ccccc3C1)c1ccccc1CO2 ZINC000013861361 563012686 /nfs/dbraw/zinc/01/26/86/563012686.db2.gz QFSZUFOLEYHTBT-RUZDIDTESA-N 0 0 431.557 5.158 1 0 IKAFRN CCCCc1cc(C)n2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2n1 ZINC000013861603 563012775 /nfs/dbraw/zinc/01/27/75/563012775.db2.gz PLUCEUJPUGCCAM-UHFFFAOYSA-N 0 0 437.540 5.257 1 0 IKAFRN O=C(/C=C/C(F)(F)F)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000013861818 563012862 /nfs/dbraw/zinc/01/28/62/563012862.db2.gz IINXAWRVTBPNCW-VOTSOKGWSA-N 0 0 437.219 5.193 1 0 IKAFRN COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@H]23)c2c1OC1(CCCC1)C2 ZINC000013863456 563013320 /nfs/dbraw/zinc/01/33/20/563013320.db2.gz WGWKCNVFLGOBOV-RBBKRZOGSA-N 0 0 444.575 5.496 1 0 IKAFRN Cc1ccc(CC(=O)Nc2ccc(NC(=O)c3cccnc3)cc2C(=O)c2ccccc2)cc1 ZINC000013864039 563013422 /nfs/dbraw/zinc/01/34/22/563013422.db2.gz IMRVIGSUVBVRQO-UHFFFAOYSA-N 0 0 449.510 5.055 1 0 IKAFRN CCCC[C@H](NC(=O)O[C@@H](C)CC1CCCCC1)C(=O)c1nc(C(=O)OCC)cs1 ZINC000013983518 563014246 /nfs/dbraw/zinc/01/42/46/563014246.db2.gz PGKANCPVERTKBG-RDJZCZTQSA-N 0 0 438.590 5.146 1 0 IKAFRN O=C1c2ccccc2[C@](O[C@@H]2CC[C@@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000013985964 563014307 /nfs/dbraw/zinc/01/43/07/563014307.db2.gz BCVUSPMNVJOVNH-XLGIIRLISA-N 0 0 433.935 5.127 1 0 IKAFRN O=C1c2ccccc2[C@](O[C@H]2CC[C@@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000014211341 563014478 /nfs/dbraw/zinc/01/44/78/563014478.db2.gz BCVUSPMNVJOVNH-TVZXLZGTSA-N 0 0 433.935 5.127 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)C=Cc2cc(O)ccc2O1 ZINC000014592953 563014595 /nfs/dbraw/zinc/01/45/95/563014595.db2.gz GIKLGSMYBIIKJM-BWDMUOMNSA-N 0 0 448.691 9.482 1 0 IKAFRN CC(C)=C[C@@H](O)C(=O)[C@H](C)CCC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000014691596 563014792 /nfs/dbraw/zinc/01/47/92/563014792.db2.gz SARNJEPZDCTAHR-PTRMPIIDSA-N 0 0 428.613 6.213 1 0 IKAFRN COc1ccc2cc1Oc1ccc(cc1)CCc1cc(O)ccc1-c1ccc(cc1O)CC2 ZINC000014687270 563014845 /nfs/dbraw/zinc/01/48/45/563014845.db2.gz JYKRDVGMNOVIMG-UHFFFAOYSA-N 0 0 438.523 6.450 1 0 IKAFRN CC(C)=C[C@@H](O)C(=O)[C@@H](C)CCC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 ZINC000014691594 563014861 /nfs/dbraw/zinc/01/48/61/563014861.db2.gz SARNJEPZDCTAHR-UOZQZNJQSA-N 0 0 428.613 6.213 1 0 IKAFRN CCN1c2ncccc2C(=O)Nc2c(Cc3ccccc3)cc(-c3cccc(OC)c3)nc21 ZINC000014943459 563015126 /nfs/dbraw/zinc/01/51/26/563015126.db2.gz QFTUIFCNYGRQIW-UHFFFAOYSA-N 0 0 436.515 5.467 1 0 IKAFRN CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 ZINC000014945512 563015298 /nfs/dbraw/zinc/01/52/98/563015298.db2.gz AFZKXALTXCNQAZ-UHFFFAOYSA-N 0 0 441.318 5.445 1 0 in-vivo IKAFRN CSc1cccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)c1 ZINC000014945520 563015343 /nfs/dbraw/zinc/01/53/43/563015343.db2.gz VIIKIFKPRYMNGG-UHFFFAOYSA-N 0 0 428.344 6.338 1 0 IKAFRN CCc1cccc(NC(=O)Nc2ccc(Oc3ccc4[nH]c(NC(=O)OC)nc4c3)cc2)c1 ZINC000014965485 563016351 /nfs/dbraw/zinc/01/63/51/563016351.db2.gz IDBPJJQGJZOVMW-UHFFFAOYSA-N 0 0 445.479 5.740 1 0 IKAFRN COc1ccccc1-c1ccc2c(c1)C([C@H](C)OCCc1cccc(Cl)c1)=CC(C)(C)N2 ZINC000014968850 563016447 /nfs/dbraw/zinc/01/64/47/563016447.db2.gz QRCFBGIHXCXGIS-IBGZPJMESA-N 0 0 448.006 7.251 1 0 IKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1csc2ccccc21 ZINC000014970195 563016576 /nfs/dbraw/zinc/01/65/76/563016576.db2.gz FJQOIKVDJJOXNL-RCXJIHSJSA-N 0 0 430.548 6.316 1 0 IKAFRN CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C ZINC000014975795 563016850 /nfs/dbraw/zinc/01/68/50/563016850.db2.gz DKGVGTDAGUCMNK-UHFFFAOYSA-N 0 0 445.603 6.512 1 0 IKAFRN CC(C)Cc1ccc(-c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)cc1 ZINC000014978321 563017129 /nfs/dbraw/zinc/01/71/29/563017129.db2.gz RICADIWRCNZABV-UHFFFAOYSA-N 0 0 432.589 5.554 1 0 IKAFRN CCCCCc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(-c4ccc[nH]4)cc23)cc1 ZINC000014978356 563017190 /nfs/dbraw/zinc/01/71/90/563017190.db2.gz HUKZTVVBHZGABD-UHFFFAOYSA-N 0 0 435.593 5.417 1 0 IKAFRN CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1CN[C@@H](C)c1cccs1 ZINC000014995927 563017447 /nfs/dbraw/zinc/01/74/47/563017447.db2.gz QQIFYQCTUAMZAT-AWEZNQCLSA-N 0 0 440.956 5.163 1 0 IKAFRN COc1cc(O)c([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1C/C=C(\C)CCC=C(C)C ZINC000015253917 563017773 /nfs/dbraw/zinc/01/77/73/563017773.db2.gz CZVSHXUUSIQWSO-GKWUPSECSA-N 0 0 438.520 5.754 1 0 IKAFRN CC1=C2[C@@H](c3ccccc3)[C@H]3C=C[C@@]2(C=C3C(F)(F)F)N(C(=O)NC2CCCCC2)C1=O ZINC000017195732 563021548 /nfs/dbraw/zinc/02/15/48/563021548.db2.gz JEGVHWSFRMXRDN-WXVUKLJWSA-N 0 0 442.481 5.398 1 0 IKAFRN COc1ccc(N2C(=O)[C@@H]3C[C@H](c4ccc(C)cc4)c4c5ccccc5[nH]c4[C@H]3C2=O)cc1 ZINC000017217224 563021731 /nfs/dbraw/zinc/02/17/31/563021731.db2.gz IIWGYBSSXDFKAD-RQTOMXEWSA-N 0 0 436.511 5.294 1 0 IKAFRN Clc1cccc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1Cl ZINC000017224138 563021813 /nfs/dbraw/zinc/02/18/13/563021813.db2.gz ISWNWDGESDVBJZ-RGHJJJJLSA-N 0 0 427.375 6.655 1 0 IKAFRN COc1ccc([C@H]2C=CCN(Cc3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017781101 563022087 /nfs/dbraw/zinc/02/20/87/563022087.db2.gz FZJPBLUXGQUAOK-KDYSTLNUSA-N 0 0 444.550 5.365 1 0 IKAFRN COc1ccc([C@H]2C=CC[C@@H](OCc3ccccc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000018080555 563022194 /nfs/dbraw/zinc/02/21/94/563022194.db2.gz KPIIYCCTXPDMPE-KAYWLYCHSA-N 0 0 445.534 5.840 3 0 IKAFRN COc1cccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)c1 ZINC000020508448 563024957 /nfs/dbraw/zinc/02/49/57/563024957.db2.gz BRFUUKJGWHULIG-ZEQRLZLVSA-N 0 0 448.588 5.010 1 0 IKAFRN COc1cccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)c1 ZINC000020508442 563025013 /nfs/dbraw/zinc/02/50/13/563025013.db2.gz BRFUUKJGWHULIG-BJKOFHAPSA-N 0 0 448.588 5.010 1 0 IKAFRN Cc1ccc2c(c1)N(C(=O)CN1CCN(Cc3ccc(Cl)cc3)CC1)C(C)(C)C[C@H]2C ZINC000022941336 563026950 /nfs/dbraw/zinc/02/69/50/563026950.db2.gz JIQPCUQFYHDNJZ-HXUWFJFHSA-N 0 0 440.031 5.085 1 0 IKAFRN Cc1cc(-c2c(F)cc3c(=O)c(Cc4cccc(O)c4)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025976684 563027868 /nfs/dbraw/zinc/02/78/68/563027868.db2.gz XXDJSHFEYIPUEZ-UHFFFAOYSA-N 0 0 432.470 5.590 1 0 IKAFRN Cc1cc(-c2c(F)cc3c(=O)c(Cc4cc(O)ccc4O)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025975513 563027870 /nfs/dbraw/zinc/02/78/70/563027870.db2.gz SSRADDMHXBMQNS-UHFFFAOYSA-N 0 0 448.469 5.295 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1Cl)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000025983135 563027986 /nfs/dbraw/zinc/02/79/86/563027986.db2.gz QEAYWQUFAJAIBT-KRWDZBQOSA-N 0 0 445.133 6.487 1 0 IKAFRN Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccccc4O)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025980340 563027988 /nfs/dbraw/zinc/02/79/88/563027988.db2.gz NQRYRMLKXBOWOT-UHFFFAOYSA-N 0 0 432.470 5.590 1 0 IKAFRN COC(=O)C(C)(C)CCCOc1ccc(Cl)c(OCCCC(C)(C)C(=O)OC)c1 ZINC000025983569 563028094 /nfs/dbraw/zinc/02/80/94/563028094.db2.gz JSFOECSCWMFUDO-UHFFFAOYSA-N 0 0 428.953 5.056 1 0 IKAFRN CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(-c2ccccc2F)n1 ZINC000026002076 563028227 /nfs/dbraw/zinc/02/82/27/563028227.db2.gz RKJQADITCFKGBZ-UHFFFAOYSA-N 0 0 428.349 6.635 1 0 IKAFRN O[C@@H](c1ccc(Cl)cc1Cl)[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000026008423 563028392 /nfs/dbraw/zinc/02/83/92/563028392.db2.gz HBWJVZZCQWFPPG-ZWKOTPCHSA-N 0 0 432.134 5.118 1 0 IKAFRN Cc1ccc(Br)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1 ZINC000026392288 563031629 /nfs/dbraw/zinc/03/16/29/563031629.db2.gz DVPKOPBOPDEECK-UHFFFAOYSA-N 0 0 434.135 5.303 1 0 IKAFRN O=C(c1ccc(Cl)cc1Cl)[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000026007559 563028404 /nfs/dbraw/zinc/02/84/04/563028404.db2.gz SYEUQIGXCDKCFF-SFHVURJKSA-N 0 0 430.118 5.267 1 0 IKAFRN CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000026015780 563028556 /nfs/dbraw/zinc/02/85/56/563028556.db2.gz YTBOCPITYZKISK-UHFFFAOYSA-N 0 0 431.761 5.040 1 0 IKAFRN COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2c(OC)cccc2OC)cc1 ZINC000026023274 563028707 /nfs/dbraw/zinc/02/87/07/563028707.db2.gz WGZORAYUKVATBA-UHFFFAOYSA-N 0 0 434.513 5.834 1 0 IKAFRN COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000026023954 563028726 /nfs/dbraw/zinc/02/87/26/563028726.db2.gz FIDQYSWGKAOCNR-UHFFFAOYSA-N 0 0 434.513 5.834 1 0 IKAFRN COc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)C23CCC(c2ccccc2)CC3)cc1 ZINC000026144495 563028940 /nfs/dbraw/zinc/02/89/40/563028940.db2.gz TVNUWGVMKRVPTL-LDCMCGJDSA-N 0 0 427.544 6.136 1 0 IKAFRN COc1ccc(-c2cc(NC(=O)C[C@]34CCC[C@@H]3Cc3ccccc3C4)n[nH]2)cc1OC ZINC000026153566 563029036 /nfs/dbraw/zinc/02/90/36/563029036.db2.gz JRZOLZQPBHYTCP-FQRUVTKNSA-N 0 0 431.536 5.008 1 0 IKAFRN CC1(C)CCC(C)(C)c2cc([C@@H]3CCCc4oc(C=C5SC(=O)NC5=O)cc43)ccc21 ZINC000026163503 563029254 /nfs/dbraw/zinc/02/92/54/563029254.db2.gz KKABGOOTLHQIHG-NIZGNDASSA-N 0 0 435.589 6.421 1 0 IKAFRN O=C(Nc1ccc(F)cc1F)Nc1cnc2ccc(C(F)(F)F)cc2c1-c1ccccc1 ZINC000026169525 563029333 /nfs/dbraw/zinc/02/93/33/563029333.db2.gz UNBAMRXVSONHQN-UHFFFAOYSA-N 0 0 443.375 6.843 1 0 IKAFRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000026172185 563029457 /nfs/dbraw/zinc/02/94/57/563029457.db2.gz HWAYTBKLKZHFDH-UTJQPWESSA-N 0 0 445.644 7.464 1 0 IKAFRN CCCCCCN(CCCCCC)C(=O)Cc1c2ccccc2oc1-c1ccc(N)cc1 ZINC000026182774 563029686 /nfs/dbraw/zinc/02/96/86/563029686.db2.gz FNDCWVIXTOXTHN-UHFFFAOYSA-N 0 0 434.624 7.214 1 0 IKAFRN CC(=O)N1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000026187903 563029909 /nfs/dbraw/zinc/02/99/09/563029909.db2.gz KNVYPKQUKBUAAW-PMACEKPBSA-N 0 0 445.403 5.993 1 0 IKAFRN O=c1cc(-c2ccccc2-c2cccc3c(=O)cc(-c4ccccc4)oc32)oc2ccccc12 ZINC000026189142 563029928 /nfs/dbraw/zinc/02/99/28/563029928.db2.gz MCZZVDJBHNNVIF-UHFFFAOYSA-N 0 0 442.470 6.900 1 0 IKAFRN CC(C)S(=O)(=O)NC[C@@H](C)c1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000026189702 563029992 /nfs/dbraw/zinc/02/99/92/563029992.db2.gz ZCYDUQQAOMOOTG-LJQANCHMSA-N 0 0 436.577 5.037 1 0 IKAFRN Clc1ccc2c(c1)nccc2N[C@@H]1CCCC[C@@H]1Nc1ccnc2cc(Cl)ccc21 ZINC000026252421 563030099 /nfs/dbraw/zinc/03/00/99/563030099.db2.gz LISWOCWHIAZFSB-SZPZYZBQSA-N 0 0 437.374 6.925 1 0 IKAFRN CCCCOc1ccc(S(=O)(=O)N(Cc2c[nH]cn2)[C@@H](CC)C2CCCCC2)cc1 ZINC000026266089 563030352 /nfs/dbraw/zinc/03/03/52/563030352.db2.gz WXGGQINZKZPJNO-QHCPKHFHSA-N 0 0 433.618 5.138 1 0 IKAFRN O=C(c1ccccc1)c1ccc(COc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000026267098 563030363 /nfs/dbraw/zinc/03/03/63/563030363.db2.gz OGAWSTWAQCJSNJ-STZFKDTASA-N 0 0 431.538 5.826 1 0 IKAFRN CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCCC1=S ZINC000026269094 563030370 /nfs/dbraw/zinc/03/03/70/563030370.db2.gz HPDQUNRMUVCARN-AREMUKBSSA-N 0 0 430.535 6.506 1 0 IKAFRN CCCCOc1ccc(S(=O)(=O)N(Cc2c[nH]cn2)[C@H](CC)C2CCCCC2)cc1 ZINC000026266096 563030378 /nfs/dbraw/zinc/03/03/78/563030378.db2.gz WXGGQINZKZPJNO-HSZRJFAPSA-N 0 0 433.618 5.138 1 0 IKAFRN CCCc1c(COc2ccc(C=C3SC(=S)NC3=O)cc2)ccc(C(C)=O)c1OC ZINC000026276813 563030548 /nfs/dbraw/zinc/03/05/48/563030548.db2.gz SJJWYVDGVRXTKZ-NDENLUEZSA-N 0 0 441.574 5.758 1 0 IKAFRN Cc1ccc2c(c1)ncn2-c1ccc2[nH]cc(C3=CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000026400973 563031856 /nfs/dbraw/zinc/03/18/56/563031856.db2.gz DRCGHGOPCPUYAI-UHFFFAOYSA-N 0 0 428.536 5.839 1 0 IKAFRN COc1ccc(-c2cc(=O)n(C/C=C/c3ccc(F)cc3)nc2-c2ccc(OC)cc2)cc1 ZINC000026404492 563031944 /nfs/dbraw/zinc/03/19/44/563031944.db2.gz VIOSBZPFGIDVGY-ONEGZZNKSA-N 0 0 442.490 5.447 1 0 IKAFRN CC(C)(C)OCCC[C@H]1C[C@@]2(C)[C@@H](CC[C@@]23CCC(=O)O3)[C@H]2CCC3=CC(=O)CCC3=C21 ZINC000026468986 563032028 /nfs/dbraw/zinc/03/20/28/563032028.db2.gz SELODMNVRNFOLY-OPAALYOSSA-N 0 0 440.624 6.090 1 0 IKAFRN COc1ccc(C(=O)[C@H](Nc2ccc(Cl)cc2Cl)c2ccccc2C)cc1OC ZINC000026481866 563032328 /nfs/dbraw/zinc/03/23/28/563032328.db2.gz CBJPBRZXQFWNOI-JOCHJYFZSA-N 0 0 430.331 6.355 1 0 IKAFRN Fc1ccc(-n2nc(C3OCCO3)c3c2[C@H](Cc2cccc4ccccc42)CCC3)cc1 ZINC000026568702 563033154 /nfs/dbraw/zinc/03/31/54/563033154.db2.gz PYOSGOFNTIDPGD-FQEVSTJZSA-N 0 0 428.507 5.873 1 0 IKAFRN Fc1ccc(-n2nc(C3OCCO3)c3c2[C@@H](Cc2cccc4ccccc42)CCC3)cc1 ZINC000026568705 563033179 /nfs/dbraw/zinc/03/31/79/563033179.db2.gz PYOSGOFNTIDPGD-HXUWFJFHSA-N 0 0 428.507 5.873 1 0 IKAFRN COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC1CCCC1 ZINC000026573603 563033459 /nfs/dbraw/zinc/03/34/59/563033459.db2.gz GFALNLVQJILPHP-GOTSBHOMSA-N 0 0 432.564 5.570 1 0 IKAFRN CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000026575996 563033666 /nfs/dbraw/zinc/03/36/66/563033666.db2.gz OVJJQVQUTFNOIB-DOFZRALJSA-N 0 0 439.640 7.163 1 0 IKAFRN CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(-c2ccccc2)c1 ZINC000026577631 563033927 /nfs/dbraw/zinc/03/39/27/563033927.db2.gz NNPRJMOLHDOXFI-UHFFFAOYSA-N 0 0 449.476 5.856 1 0 IKAFRN C=C1N=C(c2ccccc2)C(C(=O)OCC)[C@H](c2cc3ccccc3o2)C1C(=O)OCC ZINC000026578484 563034041 /nfs/dbraw/zinc/03/40/41/563034041.db2.gz KVVBFLRXVLJDSU-FNBPXTNNSA-N 0 0 431.488 5.771 1 0 IKAFRN CC[C@H](CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C/C(=N\O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000026578931 563034093 /nfs/dbraw/zinc/03/40/93/563034093.db2.gz RBDMVPLHNUYCLZ-KWAIULQXSA-N 0 0 441.700 7.673 1 0 IKAFRN Clc1ccc([C@@H](c2c[nH]cc2-c2ccc(-c3ccccc3)cc2)n2ccnc2)c(Cl)c1 ZINC000026653355 563034723 /nfs/dbraw/zinc/03/47/23/563034723.db2.gz GGBXYXPRVQOMBV-SANMLTNESA-N 0 0 444.365 7.490 1 0 IKAFRN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)OCC)CC1 ZINC000026669279 563035309 /nfs/dbraw/zinc/03/53/09/563035309.db2.gz ZRGSKQJNTCUTDI-RBUKOAKNSA-N 0 0 443.628 5.906 1 0 IKAFRN CCCCNC(=O)N[C@@H](CCc1ccccc1)CP(=O)(OCCCC)OCCCC ZINC000026671880 563035395 /nfs/dbraw/zinc/03/53/95/563035395.db2.gz VYDWPOHNZDGHMN-QFIPXVFZSA-N 0 0 440.565 5.914 1 0 IKAFRN CCCCOC(=O)O[C@@H](CCc1ccccc1)CP(=O)(OCCCC)OCCCC ZINC000026671360 563035369 /nfs/dbraw/zinc/03/53/69/563035369.db2.gz ZLSBAPAMOWWBJZ-QFIPXVFZSA-N 0 0 442.533 6.768 1 0 IKAFRN CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000026672235 563035373 /nfs/dbraw/zinc/03/53/73/563035373.db2.gz LUZUHPHTXSGDDD-PWKXLIGRSA-N 0 0 426.729 8.169 1 0 IKAFRN CCCCOP(=O)(C[C@H](CCc1ccccc1)OC(=O)c1ccccc1)OCCCC ZINC000026673656 563035461 /nfs/dbraw/zinc/03/54/61/563035461.db2.gz WYCTXPFZIHLFSG-DEOSSOPVSA-N 0 0 446.524 6.671 1 0 IKAFRN COC(=O)[C@@H]1CCC[C@H](Nc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026725420 563035699 /nfs/dbraw/zinc/03/56/99/563035699.db2.gz OZKHHBXCZYWMMN-QUCCMNQESA-N 0 0 435.568 5.583 1 0 IKAFRN CCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)ccc2cc(OC)ccc21 ZINC000026722314 563035779 /nfs/dbraw/zinc/03/57/79/563035779.db2.gz KFEMDCTYKYNMMJ-UEBLJOKOSA-N 0 0 430.592 6.127 1 0 IKAFRN CCCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)oc2cc(OC)ccc21 ZINC000026726651 563035806 /nfs/dbraw/zinc/03/58/06/563035806.db2.gz ICIIXQATMFKASU-APHAIJBRSA-N 0 0 434.580 6.110 1 0 IKAFRN CCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)ccc2c(OC)cccc21 ZINC000026728800 563035816 /nfs/dbraw/zinc/03/58/16/563035816.db2.gz XWXTZIJSXURTPL-LAYTVVDLSA-N 0 0 430.592 6.127 1 0 IKAFRN COc1ccc([C@@H]2[C@@H](CCCCc3ccccc3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000026738368 563036148 /nfs/dbraw/zinc/03/61/48/563036148.db2.gz VLAWEYLPLSBDSP-NEKDWFFYSA-N 0 0 429.560 6.211 1 0 IKAFRN C[C@@]12CC[C@H]([C@@H](O)CCc3ccccc3)[C@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026748820 563036520 /nfs/dbraw/zinc/03/65/20/563036520.db2.gz XHEKHZIUUNYQCE-DPYPCGPOSA-N 0 0 438.696 6.636 1 0 IKAFRN C=C/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C)CCCC(C)C ZINC000026848329 563037702 /nfs/dbraw/zinc/03/77/02/563037702.db2.gz CLROQXAAKZMJQI-WKMIMHNDSA-N 0 0 440.756 10.062 1 0 IKAFRN COc1cc(-c2c3c(=O)occ-3[nH]c3cc4c(cc32)-c2ccccc2C4)cc(OC)c1OC ZINC000026848136 563037713 /nfs/dbraw/zinc/03/77/13/563037713.db2.gz OQWJZMLUXRHJPR-UHFFFAOYSA-N 0 0 439.467 5.169 1 0 IKAFRN COC(=O)Cc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000026944872 563038089 /nfs/dbraw/zinc/03/80/89/563038089.db2.gz FUGYGVRJDOXLCO-XNMGPUDCSA-N 0 0 443.543 5.138 1 0 IKAFRN Cc1noc(-c2ccc(CSc3nc4ccccc4n3Cc3ccc(Cl)cc3)cc2)n1 ZINC000026948273 563038134 /nfs/dbraw/zinc/03/81/34/563038134.db2.gz XRLKXFYGGNVIJA-UHFFFAOYSA-N 0 0 446.963 6.389 1 0 IKAFRN CC(C)c1c(Cc2cccc3ccccc32)nc(SCC(=O)c2ccccc2)[nH]c1=O ZINC000026954656 563038160 /nfs/dbraw/zinc/03/81/60/563038160.db2.gz KBQRWGFDOQHQBI-UHFFFAOYSA-N 0 0 428.557 5.612 1 0 IKAFRN C[C@]12CC[C@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@]1(O)CC[C@@H]2CO ZINC000026950247 563038164 /nfs/dbraw/zinc/03/81/64/563038164.db2.gz BWOPEYKXBPNOED-AIQXTLEGSA-N 0 0 442.599 5.687 1 0 IKAFRN CN1c2ccc(Cl)cc2C(c2ccc(O)cc2)=N[C@@H](Cc2cnc3ccccc3c2)C1=O ZINC000026996543 563038886 /nfs/dbraw/zinc/03/88/86/563038886.db2.gz JVIJSRUGCCFWOA-QHCPKHFHSA-N 0 0 441.918 5.019 1 0 IKAFRN O=C(C[C@@H]1c2ccccc2N=C(c2ccccc2)N1c1ccccc1)NCc1ccccc1 ZINC000026996173 563038891 /nfs/dbraw/zinc/03/88/91/563038891.db2.gz KBQDXJZKAJPELX-HHHXNRCGSA-N 0 0 431.539 6.033 1 0 IKAFRN CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1sccc1Br ZINC000027081326 563039113 /nfs/dbraw/zinc/03/91/13/563039113.db2.gz HUNLJMOVIVZYHO-UHFFFAOYSA-N 0 0 426.719 5.592 1 0 IKAFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc2cc(C(=O)OC(C)(C)C)c(=O)oc2c1 ZINC000027091676 563039373 /nfs/dbraw/zinc/03/93/73/563039373.db2.gz SHHHNCWYALQOSU-UHFFFAOYSA-N 0 0 447.487 5.333 1 0 IKAFRN CC(C)Cc1ccc([C@@H](C)C(=O)OCCCOc2nonc2Sc2ccccc2)cc1 ZINC000027095319 563039432 /nfs/dbraw/zinc/03/94/32/563039432.db2.gz YEODXXXRKLMWMB-GOSISDBHSA-N 0 0 440.565 5.535 1 0 IKAFRN COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc([S@@](C)=O)cc2)cc1 ZINC000027186726 563040281 /nfs/dbraw/zinc/04/02/81/563040281.db2.gz LHIKOZQUOFCCMM-UOMUQXIMSA-N 0 0 433.573 5.160 1 0 IKAFRN CCCn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC ZINC000027195440 563040496 /nfs/dbraw/zinc/04/04/96/563040496.db2.gz VEDZXURKCXUPSG-UHFFFAOYSA-N 0 0 433.777 6.170 1 0 IKAFRN COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc([S@](C)=O)cc2)cc1 ZINC000027197991 563040505 /nfs/dbraw/zinc/04/05/05/563040505.db2.gz PRQWWDVKMLWBIA-XQOXSZQVSA-N 0 0 433.573 5.160 1 0 IKAFRN COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027200167 563040595 /nfs/dbraw/zinc/04/05/95/563040595.db2.gz SMEFOPSAKITFSH-XRISZJQKSA-N 0 0 429.604 6.186 1 0 IKAFRN CC[C@@]1(CCCc2ccccc2)C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000027199020 563040603 /nfs/dbraw/zinc/04/06/03/563040603.db2.gz QRPQBHVWHYGQDD-IAPPQJPRSA-N 0 0 429.560 6.211 1 0 IKAFRN Cc1ccc(-n2nc(C(C)C)c(CC[C@H]3C[C@H](O)CC(=O)O3)c2-c2ccc(F)cc2)cc1 ZINC000027211895 563041089 /nfs/dbraw/zinc/04/10/89/563041089.db2.gz LADHLWZPKSCVFY-VXKWHMMOSA-N 0 0 436.527 5.109 1 0 IKAFRN COc1cc(Cc2cnc(SCCCCCCCCc3ccccc3)[nH]c2=O)ccn1 ZINC000027312361 563041358 /nfs/dbraw/zinc/04/13/58/563041358.db2.gz KZWAQWJYGICLJS-UHFFFAOYSA-N 0 0 437.609 5.440 1 0 IKAFRN O=c1[nH]c(SCCCCCCCOc2ccc(Cl)cc2)ncc1Cc1cccnc1 ZINC000027312719 563041380 /nfs/dbraw/zinc/04/13/80/563041380.db2.gz HVMBRIOUWAQQTP-UHFFFAOYSA-N 0 0 444.000 5.531 1 0 IKAFRN O=C(CCCCCCCSc1ncc(Cc2cccnc2)c(=O)[nH]1)c1cccs1 ZINC000027314634 563041493 /nfs/dbraw/zinc/04/14/93/563041493.db2.gz CWJATHABKDVKHO-UHFFFAOYSA-N 0 0 427.595 5.133 1 0 IKAFRN Cc1cc(-c2c(F)cc3c4nn(-c5ccccc5)c(=O)c-4cn(C4CC4)c3c2F)cc(C)n1 ZINC000027322594 563041503 /nfs/dbraw/zinc/04/15/03/563041503.db2.gz APNKHUNKJVGJLA-UHFFFAOYSA-N 0 0 442.469 5.584 1 0 IKAFRN OCc1nccn1C[C@H]1Sc2cc(Cl)ccc2[C@H]1OCc1ccsc1Cl ZINC000027408805 563041848 /nfs/dbraw/zinc/04/18/48/563041848.db2.gz UBCQVAZURKINQT-NVXWUHKLSA-N 0 0 427.378 5.176 1 0 IKAFRN Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(-n3cccc3)cc2)n2ccnc2)c(Cl)c1 ZINC000027418223 563042054 /nfs/dbraw/zinc/04/20/54/563042054.db2.gz HYRNBFYDVQCQIM-XMMPIXPASA-N 0 0 433.342 6.613 1 0 IKAFRN Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(-n3cccc3)cc2)n2ccnc2)c(Cl)c1 ZINC000027418228 563042061 /nfs/dbraw/zinc/04/20/61/563042061.db2.gz HYRNBFYDVQCQIM-DEOSSOPVSA-N 0 0 433.342 6.613 1 0 IKAFRN Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(-n3cccc3)cc2)n2ccnc2)cc1Cl ZINC000027429089 563042289 /nfs/dbraw/zinc/04/22/89/563042289.db2.gz PIOGSIGDIAIBBK-XMMPIXPASA-N 0 0 433.342 6.613 1 0 IKAFRN CCC[C@]1(CCc2ccccc2)C=c2oc(=O)c([C@H](CC)c3ccccc3)c(O)c2=CC1 ZINC000027436281 563042326 /nfs/dbraw/zinc/04/23/26/563042326.db2.gz CJXXEMIEEYSUCT-RNWIMVQKSA-N 0 0 428.572 5.271 1 0 IKAFRN Cc1csc2nc([C@H](C)NC(=O)/C=C(\Sc3ccccc3)c3ccccc3)oc(=O)c12 ZINC000027517602 563042528 /nfs/dbraw/zinc/04/25/28/563042528.db2.gz TWRQBRVURSKLQV-UEIJICEPSA-N 0 0 448.569 5.569 1 0 IKAFRN O=C1CC[C@]2(c3ccc(Cl)c(C(F)(F)F)c3)O[C@H](COc3ccc(Cl)cc3)CN12 ZINC000027520803 563042770 /nfs/dbraw/zinc/04/27/70/563042770.db2.gz MVXNAACNAFCYIA-HNAYVOBHSA-N 0 0 446.252 5.265 1 0 IKAFRN C=C1N=C(c2ccc(C)cc2)C(C(=O)OCC)[C@H](/C=C/c2ccccc2)C1C(=O)OCC ZINC000027523368 563042880 /nfs/dbraw/zinc/04/28/80/563042880.db2.gz HXYNKYIBOAOJHS-JXDIHYSASA-N 0 0 431.532 5.879 1 0 IKAFRN C=C1N=C(c2ccccc2)C(C(=O)OCC)[C@@H](/C=C/c2ccccc2OC)C1C(=O)OCC ZINC000027523206 563042932 /nfs/dbraw/zinc/04/29/32/563042932.db2.gz OGMGJMNDWROISI-HEGQRXGISA-N 0 0 447.531 5.580 1 0 IKAFRN COc1cc(C(F)(F)F)ccc1C(=O)c1oc2cc(-c3ccccc3)cc(O)c2c1C ZINC000027524038 563042990 /nfs/dbraw/zinc/04/29/90/563042990.db2.gz GCQXLFPKUMVZRL-UHFFFAOYSA-N 0 0 426.390 6.372 1 0 IKAFRN Nc1cccc(CN2c3ccccc3C(c3ccccc3)=N[C@H](Cc3ccccc3)C2=O)c1 ZINC000027524390 563043020 /nfs/dbraw/zinc/04/30/20/563043020.db2.gz WNBYVNPNUSRLSQ-AREMUKBSSA-N 0 0 431.539 5.264 1 0 IKAFRN COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(C(=O)OC(C)C)c(C(=O)OC(C)C)cc3C=C[C@@H]12 ZINC000027526086 563043258 /nfs/dbraw/zinc/04/32/58/563043258.db2.gz PEUPYPPJZSWODT-QGDZQMKYSA-N 0 0 442.552 5.081 1 0 IKAFRN COc1ccc2c(c1)c(-c1cc(C(F)(F)F)ccn1)cn2S(=O)(=O)c1ccc(C)cc1 ZINC000027526554 563043378 /nfs/dbraw/zinc/04/33/78/563043378.db2.gz QYCMICNLRUUVBW-UHFFFAOYSA-N 0 0 446.450 5.276 1 0 IKAFRN C[C@H](c1ccccc1)C(C)(C)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000027558474 563043998 /nfs/dbraw/zinc/04/39/98/563043998.db2.gz NAMBDBWCUHKJSA-NSYGIPOTSA-N 0 0 432.951 6.055 1 0 IKAFRN CCCCc1nc2ccccc2c(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1 ZINC000027560004 563044093 /nfs/dbraw/zinc/04/40/93/563044093.db2.gz TVMRZVKCRMGFBJ-UHFFFAOYSA-N 0 0 435.535 5.432 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c3ccccc3c2O1 ZINC000027622940 563044572 /nfs/dbraw/zinc/04/45/72/563044572.db2.gz SSMGTBPZZYREEN-LWSKGOKZSA-N 0 0 432.648 8.829 1 0 IKAFRN CCCCC/C=C/C/C=C/CCCCCCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 ZINC000027626262 563044666 /nfs/dbraw/zinc/04/46/66/563044666.db2.gz PXZDWRCURFZFQA-SGTZHFJNSA-N 0 0 426.685 8.906 1 0 IKAFRN CC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1CC[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000027710069 563045555 /nfs/dbraw/zinc/04/55/55/563045555.db2.gz QVBVQHTXLPNXEY-FGZHOGPDSA-N 0 0 433.523 5.677 1 0 in-vitro IKAFRN Fc1ccc(CCCCN2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000027726127 563045956 /nfs/dbraw/zinc/04/59/56/563045956.db2.gz JJIHRMWHRSJBCH-UHFFFAOYSA-N 0 0 434.505 6.429 1 0 IKAFRN c1ccc(-c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc7nccnc7c6)nc5c4)nc3c2)cc1 ZINC000027763271 563047044 /nfs/dbraw/zinc/04/70/44/563047044.db2.gz RXNUOPLBOXDDIT-UHFFFAOYSA-N 0 0 438.494 6.383 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@@H]2[C@@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027769774 563047170 /nfs/dbraw/zinc/04/71/70/563047170.db2.gz IVUIXSSVHYSIAB-RQVWDEQDSA-N 0 0 430.717 6.996 1 0 IKAFRN c1cc2cc(-c3nc4cc(-c5nc6cc(-c7ccccc7)ccc6[nH]5)ccc4[nH]3)ccc2[nH]1 ZINC000027846131 563047250 /nfs/dbraw/zinc/04/72/50/563047250.db2.gz XDVKQISJBHGFNA-UHFFFAOYSA-N 0 0 425.495 6.922 1 0 IKAFRN CCc1noc(CC)c1CCCCCCOc1ccc(C(=O)OC)cc1Br ZINC000027863505 563047563 /nfs/dbraw/zinc/04/75/63/563047563.db2.gz YKKMHLXMRYXGOY-UHFFFAOYSA-N 0 0 438.362 5.530 1 0 IKAFRN COc1ccc([C@@H]2[C@@H]([P@@](=O)(CCc3ccccc3)OC)C(=O)N2c2ccccc2)cc1 ZINC000027871635 563047686 /nfs/dbraw/zinc/04/76/86/563047686.db2.gz VPPSDHCSQXXICK-OVMXQCPESA-N 0 0 435.460 5.319 1 0 IKAFRN CCCCC[S@@](=O)[C@@]1(Cl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000027980173 563048565 /nfs/dbraw/zinc/04/85/65/563048565.db2.gz WHBHPQMLBXKXAL-OOTRQYQGSA-N 0 0 437.045 5.347 1 0 IKAFRN CCCn1c2ccccc2c(CC(=O)N(Cc2ccncc2)C(C)C)c1-c1ccccc1 ZINC000027984725 563048760 /nfs/dbraw/zinc/04/87/60/563048760.db2.gz QACXVSYGADTIIR-UHFFFAOYSA-N 0 0 425.576 6.093 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/COC(=O)/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000027989042 563048897 /nfs/dbraw/zinc/04/88/97/563048897.db2.gz YNBJYBZLJPOQTG-CEJSVNTQSA-N 0 0 440.712 9.368 1 0 IKAFRN COc1cc2nccc(Oc3ccc(Cc4ccc(C(C)(C)C)cc4)cc3)c2cc1OC ZINC000027993155 563048952 /nfs/dbraw/zinc/04/89/52/563048952.db2.gz HJVDLBKBEURQDC-UHFFFAOYSA-N 0 0 427.544 6.933 1 0 IKAFRN O=C(Oc1ccccc1)N1CCN([C@H]2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 ZINC000028005768 563049456 /nfs/dbraw/zinc/04/94/56/563049456.db2.gz BNYFULICRAJPCR-DEOSSOPVSA-N 0 0 431.923 5.125 1 0 IKAFRN COc1ccc(-c2csc(N3N=C(c4ccc(C)cc4)C[C@H]3c3cccs3)n2)cc1 ZINC000028061165 563050152 /nfs/dbraw/zinc/05/01/52/563050152.db2.gz DMDDNNYSKXIFCO-QFIPXVFZSA-N 0 0 431.586 6.544 1 0 IKAFRN COc1ccc(-c2csc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccs3)n2)cc1 ZINC000028061410 563050154 /nfs/dbraw/zinc/05/01/54/563050154.db2.gz HNFFFHDRLZCPFJ-OAQYLSRUSA-N 0 0 435.549 6.375 1 0 IKAFRN COC(=O)C1=C(C)CC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000028115697 563050930 /nfs/dbraw/zinc/05/09/30/563050930.db2.gz SOAQEOCZZKZZSW-GOSISDBHSA-N 0 0 444.877 5.994 1 0 IKAFRN Cn1c(=O)c(-c2c(Cl)cc(Cl)cc2Cl)cc2cnc(Nc3ccccc3)nc21 ZINC000028128872 563051273 /nfs/dbraw/zinc/05/12/73/563051273.db2.gz XBKDBULVPUEAHW-UHFFFAOYSA-N 0 0 431.710 5.699 1 0 IKAFRN O=C(Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1)c1ccccc1C(F)(F)F ZINC000028127560 563051278 /nfs/dbraw/zinc/05/12/78/563051278.db2.gz WKGOEZHCLIBSGY-UHFFFAOYSA-N 0 0 447.482 6.086 1 0 IKAFRN FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN1CCCCC1 ZINC000028130477 563051385 /nfs/dbraw/zinc/05/13/85/563051385.db2.gz YJEAEAYHAIWJGK-UHFFFAOYSA-N 0 0 444.737 6.852 1 0 IKAFRN O=C([O-])C[C@@H](c1cnc[nH]1)[N@H+](CCc1ccc(F)cc1)Cc1ccc(-c2ccccc2)cc1 ZINC000028133337 563051427 /nfs/dbraw/zinc/05/14/27/563051427.db2.gz LZKJDSUMNCVIKD-SANMLTNESA-N 0 0 443.522 5.477 1 0 IKAFRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cccnc1-c1ccccc1 ZINC000028135919 563051538 /nfs/dbraw/zinc/05/15/38/563051538.db2.gz KLSBIYIEQTXFMR-UHFFFAOYSA-N 0 0 438.371 6.058 1 0 IKAFRN COc1ccc2c(c1)OC[C@@H]1c3cc(O)c(OCc4cccc5ccccc54)cc3O[C@H]21 ZINC000028234027 563051909 /nfs/dbraw/zinc/05/19/09/563051909.db2.gz DANVKHMTBIAALE-AJTFRIOCSA-N 0 0 426.468 5.743 1 0 IKAFRN COc1ccc2c(c1)OC[C@@H]1c3cc(O)c(OCc4cccc5ccccc54)cc3O[C@@H]21 ZINC000028234020 563051919 /nfs/dbraw/zinc/05/19/19/563051919.db2.gz DANVKHMTBIAALE-AMGIVPHBSA-N 0 0 426.468 5.743 1 0 IKAFRN O=C1[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc2N1CC1CC1 ZINC000028238421 563052003 /nfs/dbraw/zinc/05/20/03/563052003.db2.gz FTWUSVJBDQYTDK-RUZDIDTESA-N 0 0 437.518 5.512 1 0 IKAFRN COc1ccc2c(c1)OC[C@H]1c3cc(O)c(OCc4ccc5ccccc5c4)cc3O[C@H]21 ZINC000028234430 563052009 /nfs/dbraw/zinc/05/20/09/563052009.db2.gz OAAGGNKGWAQYDG-WXVAWEFUSA-N 0 0 426.468 5.743 1 0 IKAFRN O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1Cc1c[nH]c2ccc(Br)cc12 ZINC000028240175 563052120 /nfs/dbraw/zinc/05/21/20/563052120.db2.gz FCIKGGIPOUYDRS-JOCHJYFZSA-N 0 0 444.332 5.331 1 0 IKAFRN O=C(NC1CCCCC1)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)o1 ZINC000028336471 563052752 /nfs/dbraw/zinc/05/27/52/563052752.db2.gz RNHYSCQRYBZZBM-UHFFFAOYSA-N 0 0 449.765 7.031 1 0 IKAFRN CCCC[C@H](NC(=O)O[C@@H](C)CC1CCCCC1)C(=O)c1nnc(-c2ccccc2)o1 ZINC000028337082 563052775 /nfs/dbraw/zinc/05/27/75/563052775.db2.gz VIXLRXWYVFPYOQ-PXNSSMCTSA-N 0 0 427.545 5.563 1 0 IKAFRN COc1ccc(Cl)c(-c2cc3cnc(Nc4ccccc4)nc3n(C)c2=O)c1Cl ZINC000028341665 563052873 /nfs/dbraw/zinc/05/28/73/563052873.db2.gz RUNIIWSBGGDEMK-UHFFFAOYSA-N 0 0 427.291 5.055 1 0 IKAFRN O=C([O-])C[C@H](c1cnc[nH]1)[N@H+](CCc1cccs1)Cc1ccc(-c2ccccc2)cc1 ZINC000028341086 563052877 /nfs/dbraw/zinc/05/28/77/563052877.db2.gz KPDHBCNLGPTZNC-XMMPIXPASA-N 0 0 431.561 5.399 1 0 IKAFRN O=C(c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)N1CCCCC1 ZINC000028342538 563052972 /nfs/dbraw/zinc/05/29/72/563052972.db2.gz WTURDTWLBBLDSA-UHFFFAOYSA-N 0 0 445.777 7.002 1 0 IKAFRN CCN(CC)c1ccc(NC(=O)[C@]2(C(=O)OCCC(C)C)CCc3ccccc3C2)cc1 ZINC000028354726 563053304 /nfs/dbraw/zinc/05/33/04/563053304.db2.gz ISHBYNKAPWPDEY-MHZLTWQESA-N 0 0 436.596 5.236 1 0 IKAFRN CC1CCC(Nc2ncnc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc32)CC1 ZINC000028355636 563053367 /nfs/dbraw/zinc/05/33/67/563053367.db2.gz REXLBWKQMIMSQG-UHFFFAOYSA-N 0 0 431.490 6.023 1 0 IKAFRN COc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12 ZINC000028362483 563053519 /nfs/dbraw/zinc/05/35/19/563053519.db2.gz IBDQXEMAYHMXNU-UHFFFAOYSA-N 0 0 444.462 5.257 1 0 IKAFRN C[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1Cl)c1ccc(F)cc1 ZINC000028363246 563053530 /nfs/dbraw/zinc/05/35/30/563053530.db2.gz VMNABOPPDUIRHF-CYBMUJFWSA-N 0 0 445.922 5.918 1 0 IKAFRN C[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccc3ccccc3n2)cc1)c1ccc(F)cc1 ZINC000028363833 563053623 /nfs/dbraw/zinc/05/36/23/563053623.db2.gz RVJAJQJCHVXMNR-MRXNPFEDSA-N 0 0 444.535 5.674 1 0 IKAFRN C[C@H](NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3cn2)cc1)c1ccc(F)cc1 ZINC000028367844 563053671 /nfs/dbraw/zinc/05/36/71/563053671.db2.gz FLQHIROINMXMAY-INIZCTEOSA-N 0 0 444.535 5.674 1 0 IKAFRN COc1cc(NC(=S)N[C@@H](C)c2ccc(F)cc2)ccc1NC(=O)c1ccccc1F ZINC000028369431 563053761 /nfs/dbraw/zinc/05/37/61/563053761.db2.gz FAKLTJLEHBRFDK-AWEZNQCLSA-N 0 0 441.503 5.273 1 0 IKAFRN CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1F ZINC000028371698 563053843 /nfs/dbraw/zinc/05/38/43/563053843.db2.gz QAPOJSVJZRJTLB-UHFFFAOYSA-N 0 0 436.261 6.308 1 0 IKAFRN Cc1cc(NC2CCCC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 ZINC000028380905 563054070 /nfs/dbraw/zinc/05/40/70/563054070.db2.gz WZVMFVRHNHZNKC-UHFFFAOYSA-N 0 0 443.469 5.934 1 0 IKAFRN Cc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000028384244 563054140 /nfs/dbraw/zinc/05/41/40/563054140.db2.gz LTXKLPPWYOFXIO-UHFFFAOYSA-N 0 0 439.523 5.301 1 0 IKAFRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCCCCCCCCCCCCCCCO)O2 ZINC000028395940 563054578 /nfs/dbraw/zinc/05/45/78/563054578.db2.gz APJCDSCYPWZLMY-LJAQVGFWSA-N 0 0 446.716 8.245 1 0 IKAFRN Cc1ccc(NC(=O)Nc2cccc(N(C)C)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000028455984 563054655 /nfs/dbraw/zinc/05/46/55/563054655.db2.gz UXRUDXZNSIAVNZ-UHFFFAOYSA-N 0 0 439.523 5.301 1 0 IKAFRN CCCCON=C(N)c1ccc(-c2ccc(-c3ccc(C(N)=NOCCCC)cc3)o2)cc1 ZINC000028457729 563054826 /nfs/dbraw/zinc/05/48/26/563054826.db2.gz IINMOZDCXLZXOP-UHFFFAOYSA-N 0 0 448.567 5.907 1 0 IKAFRN Cc1ccc([C@](C)(CO)CCCCC(=O)CCCC[C@@](C)(CO)c2ccc(C)cc2)cc1 ZINC000028458061 563054869 /nfs/dbraw/zinc/05/48/69/563054869.db2.gz YUQSKIKOWNWRQV-VMPREFPWSA-N 0 0 438.652 6.194 1 0 IKAFRN Cc1c(C(C)(C)C)nc2c(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nn2c1C(C)(C)C ZINC000028458449 563054890 /nfs/dbraw/zinc/05/48/90/563054890.db2.gz RXXUUPXEAXIZBJ-UHFFFAOYSA-N 0 0 429.564 6.378 1 0 IKAFRN CC(C)(CCCCOCCCCC(C)(C)CO[C@H]1CCCCO1)CO[C@@H]1CCCCO1 ZINC000028461346 563055041 /nfs/dbraw/zinc/05/50/41/563055041.db2.gz GNRRIRCEOUUBNX-PSWAGMNNSA-N 0 0 442.681 6.482 1 0 IKAFRN COc1c([C@@H](O)CC(C)C)ccc2c1C(=O)Oc1cc(C)cc(OC(=O)C(C)(C)C)c1O2 ZINC000028461932 563055213 /nfs/dbraw/zinc/05/52/13/563055213.db2.gz NSHPFJOUWNRDIP-INIZCTEOSA-N 0 0 442.508 5.360 1 0 IKAFRN COCCOC(=O)N=c1[nH]c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2s1 ZINC000028464888 563055248 /nfs/dbraw/zinc/05/52/48/563055248.db2.gz GZMFIBFOHVYPOA-UHFFFAOYSA-N 0 0 440.308 5.050 1 0 IKAFRN CCOC(=O)Cc1c(C[C@H](C)CCC=C(C)C)c(C(=O)OCC)cn1Cc1ccccc1 ZINC000028471890 563055545 /nfs/dbraw/zinc/05/55/45/563055545.db2.gz BVOCYOCRBDFSLA-OAQYLSRUSA-N 0 0 439.596 5.744 1 0 IKAFRN CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccccc2)cc1 ZINC000028520665 563055929 /nfs/dbraw/zinc/05/59/29/563055929.db2.gz SLVYCYBLRXFHRQ-SANMLTNESA-N 0 0 426.560 5.625 1 0 IKAFRN CC(C)(C[C@@](O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1 ZINC000028524050 563056344 /nfs/dbraw/zinc/05/63/44/563056344.db2.gz OMIMAFBBRNJDDU-MHZLTWQESA-N 0 0 435.564 5.365 1 0 IKAFRN FC(F)(F)c1cnc(Nc2ccc(Br)cc2)nc1Nc1ccc2[nH]cnc2c1 ZINC000028523951 563056357 /nfs/dbraw/zinc/05/63/57/563056357.db2.gz LSGWJMLNFPIPPC-UHFFFAOYSA-N 0 0 449.234 5.621 1 0 IKAFRN Cc1nn(Cc2ccccc2)c(=O)c2nc(CC3CCCC3)n3nc(-c4ccccc4)cc3c12 ZINC000028523976 563056365 /nfs/dbraw/zinc/05/63/65/563056365.db2.gz VNBLOPYBSYFAAD-UHFFFAOYSA-N 0 0 449.558 5.196 1 0 IKAFRN CC(C)(C[C@](O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1 ZINC000028524051 563056369 /nfs/dbraw/zinc/05/63/69/563056369.db2.gz OMIMAFBBRNJDDU-HHHXNRCGSA-N 0 0 435.564 5.365 1 0 IKAFRN CC(C)(C[C@](O)(CCc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1 ZINC000028525082 563056607 /nfs/dbraw/zinc/05/66/07/563056607.db2.gz CTRKFGYVXQHNDJ-MUUNZHRXSA-N 0 0 443.543 5.027 1 0 IKAFRN C[C@]1(C(=O)NC(=O)C2(c3ccccc3)CCCCC2)CCC[C@]2(C)c3ccccc3CC[C@@H]12 ZINC000028525805 563056790 /nfs/dbraw/zinc/05/67/90/563056790.db2.gz RFGMOPNIYZVCFS-ZJGIAAPESA-N 0 0 443.631 6.242 1 0 IKAFRN C[C@H](NC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12)C12CC3CC(CC(C3)C1)C2 ZINC000028525862 563056877 /nfs/dbraw/zinc/05/68/77/563056877.db2.gz AEORYXMWRGDQDS-DEWPTSQOSA-N 0 0 435.652 6.124 1 0 IKAFRN FC(F)(CNc1cccc2oc(Cc3cc(Cl)ccc3Cl)nc21)c1ccccn1 ZINC000028527907 563057050 /nfs/dbraw/zinc/05/70/50/563057050.db2.gz XJXJXCYHRDBBJX-UHFFFAOYSA-N 0 0 434.273 6.324 1 0 IKAFRN Cc1noc(/C(=C/c2cccc(-c3cc(C(C)C)cc4cccnc43)c2)c2ccccn2)n1 ZINC000028529519 563057383 /nfs/dbraw/zinc/05/73/83/563057383.db2.gz NRTPACQHCGILGF-MFKUBSTISA-N 0 0 432.527 6.701 1 0 IKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000028563006 563057631 /nfs/dbraw/zinc/05/76/31/563057631.db2.gz AGWBIFQRBSLQKW-UHFFFAOYSA-N 0 0 431.266 6.312 1 0 IKAFRN COc1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Br ZINC000028563548 563057669 /nfs/dbraw/zinc/05/76/69/563057669.db2.gz ZSHDPWHIQHBOSM-UHFFFAOYSA-N 0 0 436.309 5.182 1 0 IKAFRN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000028564112 563057871 /nfs/dbraw/zinc/05/78/71/563057871.db2.gz VTIOTVRCUMRYGU-UHFFFAOYSA-N 0 0 444.498 6.417 1 0 IKAFRN Cn1c2ccccc2nc1N1CCC(c2nccn2Cc2ccccc2)(c2ccccc2)CC1 ZINC000028566374 563058262 /nfs/dbraw/zinc/05/82/62/563058262.db2.gz CIOACIDRNFVYNA-UHFFFAOYSA-N 0 0 447.586 5.405 1 0 IKAFRN O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ccn1CC(F)(F)F ZINC000028568340 563058502 /nfs/dbraw/zinc/05/85/02/563058502.db2.gz OZKNIYDKUNRBKX-UHFFFAOYSA-N 0 0 438.236 5.723 1 0 IKAFRN CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000028569237 563058674 /nfs/dbraw/zinc/05/86/74/563058674.db2.gz AHQRPBWVJHINRW-FNWCQRAASA-N 0 0 426.685 7.124 1 0 in-vivo IKAFRN CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000028569235 563058681 /nfs/dbraw/zinc/05/86/81/563058681.db2.gz AHQRPBWVJHINRW-XODONKQMSA-N 0 0 426.685 7.124 1 0 in-vivo IKAFRN CC(C)(C)OC(=O)c1ccccc1-c1ccc(CSc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000028569893 563059049 /nfs/dbraw/zinc/05/90/49/563059049.db2.gz NXGSXLNOHKJMJY-UHFFFAOYSA-N 0 0 444.556 5.838 1 0 IKAFRN C[C@@H](OC[C@]1(c2ccccc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028570881 563059110 /nfs/dbraw/zinc/05/91/10/563059110.db2.gz HGPMXNZOBKZRFR-XIKOKIGWSA-N 0 0 432.364 5.010 1 0 IKAFRN COc1ccc(NCCNC(=O)[C@H](CC(C)C)Oc2cccc(-c3ccccc3)c2)cc1 ZINC000028571001 563059192 /nfs/dbraw/zinc/05/91/92/563059192.db2.gz KHMYUVAMTZRUJI-SANMLTNESA-N 0 0 432.564 5.384 1 0 IKAFRN O=c1c2c([O-])nsc2n(C2CC2)c2cc(-c3ccc([C@@H]4CCCC[NH2+]4)cc3)c(F)cc12 ZINC000028571355 563059272 /nfs/dbraw/zinc/05/92/72/563059272.db2.gz VOYUBWQGNLEVQI-IBGZPJMESA-N 0 0 435.524 5.272 1 0 IKAFRN COP(=O)(OC)[C@@H](Nc1nc2c(cccc2C)s1)c1ccc(C(F)(F)F)cc1 ZINC000028571841 563059364 /nfs/dbraw/zinc/05/93/64/563059364.db2.gz ZAAKHKOIBJZGBC-MRXNPFEDSA-N 0 0 430.388 6.220 1 0 IKAFRN CCCOP(=O)(OCCC)[C@H](Nc1nc2c(cccc2C)s1)c1ccccc1F ZINC000028571717 563059383 /nfs/dbraw/zinc/05/93/83/563059383.db2.gz JXMNFGUVELJIET-FQEVSTJZSA-N 0 0 436.489 6.901 1 0 IKAFRN COc1ccc(NCCNC(=O)[C@H](CC(C)C)Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000028572036 563059479 /nfs/dbraw/zinc/05/94/79/563059479.db2.gz UCHLXKCEXAVWQX-SANMLTNESA-N 0 0 432.564 5.384 1 0 IKAFRN COc1ccc2nc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CCCC[C@@H]34)ccc2c1Cl ZINC000028572248 563059575 /nfs/dbraw/zinc/05/95/75/563059575.db2.gz XUAXUNDZMZLESI-YOQYIPDJSA-N 0 0 425.956 5.914 1 0 IKAFRN Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1CN1CCN(c2ccccc2)CC1 ZINC000028572595 563059653 /nfs/dbraw/zinc/05/96/53/563059653.db2.gz XACSVNWHXMKAPP-UHFFFAOYSA-N 0 0 429.347 5.814 1 0 IKAFRN CC(C)CCSc1ccc(NC(=S)Nc2ccc(SCCC(C)C)cc2)cc1 ZINC000028638450 563059982 /nfs/dbraw/zinc/05/99/82/563059982.db2.gz VQRCUHKLYLSHAL-UHFFFAOYSA-N 0 0 432.724 7.772 1 0 IKAFRN CNC(=O)CCCCCCC[C@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 ZINC000028640916 563060159 /nfs/dbraw/zinc/06/01/59/563060159.db2.gz CXUSCSFPEJRLOW-JQPPBRKOSA-N 0 0 445.688 5.662 1 0 IKAFRN CCCCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028641519 563060271 /nfs/dbraw/zinc/06/02/71/563060271.db2.gz LVDWKYLLAAFQOW-UHFFFAOYSA-N 0 0 448.692 6.499 1 0 IKAFRN CN(C)C(=O)CCCCCC[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 ZINC000028641842 563060376 /nfs/dbraw/zinc/06/03/76/563060376.db2.gz KTJCFCARYHSLOR-VIKFGFHOSA-N 0 0 445.688 5.614 1 0 IKAFRN CC[C@H](C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028641522 563060385 /nfs/dbraw/zinc/06/03/85/563060385.db2.gz DCVGIVBKUXTIDT-BZRDRUONSA-N 0 0 448.692 6.497 1 0 IKAFRN O=C1CS[C@@H](c2c(F)cccc2F)N1c1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000028647355 563060879 /nfs/dbraw/zinc/06/08/79/563060879.db2.gz VDQQCNCLLBAFKS-SFHVURJKSA-N 0 0 437.393 5.219 1 0 IKAFRN CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C ZINC000028646895 563060904 /nfs/dbraw/zinc/06/09/04/563060904.db2.gz UMXQMWZSVMNHGK-HDMIJCIJSA-N 0 0 440.712 7.636 1 0 IKAFRN CCCCCCc1c(O)cccc1OCCCCCCCCCCC(=O)NCC1CC1 ZINC000028649205 563061074 /nfs/dbraw/zinc/06/10/74/563061074.db2.gz RFZSGWJARWTLMM-UHFFFAOYSA-N 0 0 431.661 6.931 1 0 IKAFRN CCCCCCc1ccc(OCCCCCCCCCCCC(=O)NCCO)cc1O ZINC000028649247 563061094 /nfs/dbraw/zinc/06/10/94/563061094.db2.gz XKELDNSNSJFQKT-UHFFFAOYSA-N 0 0 435.649 5.903 1 0 IKAFRN O=C(CN1C(=O)SC(=Cc2sc(Cl)nc2Cl)C1=O)c1ccc(Cl)cc1 ZINC000028650485 563061151 /nfs/dbraw/zinc/06/11/51/563061151.db2.gz UXPGDHAFLNBDMM-VZUCSPMQSA-N 0 0 433.725 5.023 1 0 IKAFRN O=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2cc(Cl)ccc2Cl)n1 ZINC000028702456 563061486 /nfs/dbraw/zinc/06/14/86/563061486.db2.gz ORFXNKKDXXLOJV-UHFFFAOYSA-N 0 0 448.781 6.562 1 0 IKAFRN COc1ccc(-c2c(C)c3c(n2-c2ccccc2C)CCN(C2CCCCC2)C3=O)cc1 ZINC000028706550 563061994 /nfs/dbraw/zinc/06/19/94/563061994.db2.gz BMSYHOXBUFTKQX-UHFFFAOYSA-N 0 0 428.576 6.101 1 0 IKAFRN COc1ccc(-c2c(C)c3c(n2-c2ccccc2C)CCN(N2CCCCC2)C3=O)cc1 ZINC000028706560 563062076 /nfs/dbraw/zinc/06/20/76/563062076.db2.gz NAYVXNREEBMZNJ-UHFFFAOYSA-N 0 0 429.564 5.169 1 0 IKAFRN O=C([O-])C[C@H](c1ccccc1)n1ccc2cc(CCCc3ccc4c([nH+]3)NCCC4)ccc21 ZINC000028707390 563062088 /nfs/dbraw/zinc/06/20/88/563062088.db2.gz NEBGAKBOVCHODI-AREMUKBSSA-N 0 0 439.559 5.634 1 0 IKAFRN O=C([O-])C[C@@H](c1ccccc1)n1ccc2c1cccc2CCc1ccc2c([nH+]1)NCCC2 ZINC000028707411 563062106 /nfs/dbraw/zinc/06/21/06/563062106.db2.gz NIGWPUUZRHIDKJ-VWLOTQADSA-N 0 0 425.532 5.244 1 0 IKAFRN COc1cccc([C@H]2SC(c3ccc(Cl)cc3)=NN2C(=O)c2ccccc2)c1OC ZINC000028710830 563062734 /nfs/dbraw/zinc/06/27/34/563062734.db2.gz YCTXPNNZXNXVGS-HSZRJFAPSA-N 0 0 438.936 5.607 1 0 IKAFRN CCOc1cc(C)cc2c(O)c(-c3c(C)cc4c(O)ccc(O)c4c3OCC)cc(O)c12 ZINC000028713725 563063152 /nfs/dbraw/zinc/06/31/52/563063152.db2.gz XYXUYEVJHZHFRD-UHFFFAOYSA-N 0 0 434.488 5.897 1 0 IKAFRN Clc1ccc([C@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)c(Cl)c1 ZINC000028769172 563064358 /nfs/dbraw/zinc/06/43/58/563064358.db2.gz NAEGNFMRFQAVML-RTBURBONSA-N 0 0 444.145 6.138 1 0 IKAFRN FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Br)cc1 ZINC000028817591 563064696 /nfs/dbraw/zinc/06/46/96/563064696.db2.gz JXPIUJOMBBNTLO-UHFFFAOYSA-N 0 0 438.074 6.259 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1cnc2ncnc(Cl)c21 ZINC000028816831 563064629 /nfs/dbraw/zinc/06/46/29/563064629.db2.gz RRMOZFZORMHEEX-FLPKSHQQSA-N 0 0 427.036 7.625 1 0 IKAFRN FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(OC(F)(F)F)c1 ZINC000028817618 563064701 /nfs/dbraw/zinc/06/47/01/563064701.db2.gz DFIQFZGNPPPHRC-UHFFFAOYSA-N 0 0 443.174 6.395 1 0 IKAFRN FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1Br ZINC000028817587 563064712 /nfs/dbraw/zinc/06/47/12/563064712.db2.gz HELIQQDGEGVWDV-UHFFFAOYSA-N 0 0 438.074 6.259 1 0 IKAFRN C[C@@H](Cc1cn(C)c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000028820762 563065202 /nfs/dbraw/zinc/06/52/02/563065202.db2.gz VHXBLNZGDORDLV-NSHDSACASA-N 0 0 431.772 5.048 1 0 IKAFRN COc1ccc2[nH]cc(C[C@@H](C)NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)c2c1 ZINC000028820811 563065340 /nfs/dbraw/zinc/06/53/40/563065340.db2.gz KTXMAJWIFJSDGJ-SNVBAGLBSA-N 0 0 447.771 5.046 1 0 IKAFRN CC[C@H](O)[C@@H]1O[C@H](c2ccccc2)[C@@]12C(=O)N([C@@H](C)c1ccccc1)[C@@H]2c1ccccc1 ZINC000028822304 563065683 /nfs/dbraw/zinc/06/56/83/563065683.db2.gz OBSAOZVEZGITLJ-VQHAMKNLSA-N 0 0 427.544 5.229 1 0 IKAFRN CCOC(=O)N1CCC(c2nccn2-c2ccc3ccccc3c2C)(c2ccccc2)CC1 ZINC000028822987 563065850 /nfs/dbraw/zinc/06/58/50/563065850.db2.gz BFPGOVZCJLJTRX-UHFFFAOYSA-N 0 0 439.559 5.872 1 0 IKAFRN CC(C)(C)OC(=O)n1c(-c2ccc(CNC(=O)c3ccccc3)cc2)cc2ccccc21 ZINC000028822979 563065864 /nfs/dbraw/zinc/06/58/64/563065864.db2.gz DRJQMKWIDPDWOD-UHFFFAOYSA-N 0 0 426.516 6.022 1 0 IKAFRN CC(C)(C)OC(=O)n1c(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc2ccccc21 ZINC000028822974 563065879 /nfs/dbraw/zinc/06/58/79/563065879.db2.gz IBYNZVLBKSXPHL-UHFFFAOYSA-N 0 0 448.544 5.892 1 0 IKAFRN CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000028823178 563065889 /nfs/dbraw/zinc/06/58/89/563065889.db2.gz KYSMQITZYFWIGG-LBPRGKRZSA-N 0 0 436.788 5.523 1 0 IKAFRN COc1ccc2cc([C@@H](C)c3nnc4sc(Nc5ccc(C)cc5C)nn43)ccc2c1 ZINC000028823138 563065891 /nfs/dbraw/zinc/06/58/91/563065891.db2.gz FQJFXDYWRYGLGE-MRXNPFEDSA-N 0 0 429.549 5.860 1 0 IKAFRN CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000028823177 563065903 /nfs/dbraw/zinc/06/59/03/563065903.db2.gz KYSMQITZYFWIGG-GFCCVEGCSA-N 0 0 436.788 5.523 1 0 IKAFRN CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000028823179 563065905 /nfs/dbraw/zinc/06/59/05/563065905.db2.gz SSAGACZMJCYUGT-GFCCVEGCSA-N 0 0 436.788 5.523 1 0 IKAFRN CC[C@@]1(C[C@@](O)(CNc2cccc3ncccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826201 563066384 /nfs/dbraw/zinc/06/63/84/563066384.db2.gz HOGKUWCBDMVMEX-BJKOFHAPSA-N 0 0 428.498 6.015 1 0 IKAFRN CC[C@@]1(C[C@](O)(Cc2cc(Cl)nc3ccccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826172 563066421 /nfs/dbraw/zinc/06/64/21/563066421.db2.gz HCXOEHYNUWUKAG-BJKOFHAPSA-N 0 0 447.928 6.799 1 0 IKAFRN CC[C@]1(C[C@@](O)(CNc2cccc3ncccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826202 563066435 /nfs/dbraw/zinc/06/64/35/563066435.db2.gz HOGKUWCBDMVMEX-DNQXCXABSA-N 0 0 428.498 6.015 1 0 IKAFRN CC[C@@]1(C[C@@](O)(CNc2cccc3cnccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826240 563066472 /nfs/dbraw/zinc/06/64/72/563066472.db2.gz CNAHGVBTDVLLSD-BJKOFHAPSA-N 0 0 428.498 6.015 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc(C=O)cc1Cl)C(F)(F)F ZINC000028862495 563066858 /nfs/dbraw/zinc/06/68/58/563066858.db2.gz OTKZWGJLFLAVTD-HXUWFJFHSA-N 0 0 432.841 5.504 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc(C)c2ccccc12)C(F)(F)F ZINC000028862547 563066867 /nfs/dbraw/zinc/06/68/67/563066867.db2.gz KIBFFSPWYJTEGK-XMMPIXPASA-N 0 0 434.473 6.500 1 0 IKAFRN CCc1c(Cc2c(Cl)cccc2Cl)nc(SCCc2ccc(OC)cc2)[nH]c1=O ZINC000028862831 563066968 /nfs/dbraw/zinc/06/69/68/563066968.db2.gz PLUVBMKYMWQHGB-UHFFFAOYSA-N 0 0 449.403 5.573 1 0 IKAFRN CCCCCn1c(C)c(C(=O)NC23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c(=O)c2ccccc21 ZINC000028864440 563067131 /nfs/dbraw/zinc/06/71/31/563067131.db2.gz ZKDQQZUDSVHKMM-ZBZKZAQZSA-N 0 0 434.624 5.979 1 0 IKAFRN O=C(NN1CCCC1)C1=NN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1 ZINC000028866806 563067290 /nfs/dbraw/zinc/06/72/90/563067290.db2.gz YDAPNFKWICZYRZ-IBGZPJMESA-N 0 0 437.758 5.081 1 0 IKAFRN CCOc1ccc(NC(=O)c2cn3c(C)c(C)nc3c3c2CC[C@@H](c2ccccc2)O3)cc1 ZINC000028867234 563067304 /nfs/dbraw/zinc/06/73/04/563067304.db2.gz GHSMZYWNEZNJJR-DEOSSOPVSA-N 0 0 441.531 5.668 1 0 IKAFRN CC[C@@]1(c2ccc(Cl)cc2)OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc21 ZINC000028878699 563067695 /nfs/dbraw/zinc/06/76/95/563067695.db2.gz SXDFJMZSGOYUHH-QHCPKHFHSA-N 0 0 427.331 6.977 1 0 IKAFRN CC[C@]1(c2ccc(Cl)cc2)OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc21 ZINC000028878704 563067721 /nfs/dbraw/zinc/06/77/21/563067721.db2.gz SXDFJMZSGOYUHH-HSZRJFAPSA-N 0 0 427.331 6.977 1 0 IKAFRN CCCCCCn1cc(CC(N)=O)c2cc(-c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000028888420 563068221 /nfs/dbraw/zinc/06/82/21/563068221.db2.gz TVSBWAOIJYQFMU-UHFFFAOYSA-N 0 0 426.560 6.709 1 0 IKAFRN Cc1ccc(Sc2cc(O)c(C[C@]3(C)[C@@H](C)CC[C@]4(C)C(C)=CCC[C@@H]34)cc2O)cc1 ZINC000028892211 563068362 /nfs/dbraw/zinc/06/83/62/563068362.db2.gz UJTMGQXQXHKNHA-XWARINQRSA-N 0 0 436.661 7.899 1 0 IKAFRN CNc1cc(-c2cccnc2Oc2cccc(NC(=O)c3cccc(C(C)C)c3)c2)ccn1 ZINC000028896903 563068833 /nfs/dbraw/zinc/06/88/33/563068833.db2.gz FODDHYRWTNFLQO-UHFFFAOYSA-N 0 0 438.531 6.353 1 0 IKAFRN O=C([O-])CCNc1cc(-c2ccc(-c3ccccc3C(F)(F)F)cc2)[nH+]c2ccccc12 ZINC000028897292 563068836 /nfs/dbraw/zinc/06/88/36/563068836.db2.gz YSPVSIDYPNVZFB-UHFFFAOYSA-N 0 0 436.433 6.474 1 0 IKAFRN Cc1ccc(-c2ncc(C(=O)N[C@@H](C)CCc3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000028900247 563069017 /nfs/dbraw/zinc/06/90/17/563069017.db2.gz QEMSVWCTUIBXRM-QFIPXVFZSA-N 0 0 435.571 6.179 1 0 IKAFRN COc1ccc(-c2nc(NC(=O)NCc3ccccc3)sc2-c2ccc(OC)cc2)cc1 ZINC000028902286 563069070 /nfs/dbraw/zinc/06/90/70/563069070.db2.gz DWFUXEKVJPLXHA-UHFFFAOYSA-N 0 0 445.544 5.816 1 0 IKAFRN Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1CN(C)Cc1ccccn1 ZINC000028903841 563069158 /nfs/dbraw/zinc/06/91/58/563069158.db2.gz RVGNCNBYBUDESY-UHFFFAOYSA-N 0 0 444.970 5.279 1 0 IKAFRN CCC(CC)(c1ccc(OC(=O)N2CCCCCC2)cc1)c1ccc(N(C)C(C)=O)cc1 ZINC000028950179 563069530 /nfs/dbraw/zinc/06/95/30/563069530.db2.gz QJWUDJSBTFQNDT-UHFFFAOYSA-N 0 0 436.596 6.150 1 0 IKAFRN CCCC(CCC)(c1ccc(OC(=O)N(CC)CC)cc1)c1ccc(N(C)C(C)=O)cc1 ZINC000028950150 563069552 /nfs/dbraw/zinc/06/95/52/563069552.db2.gz UNABCQFZCIVAGA-UHFFFAOYSA-N 0 0 438.612 6.396 1 0 IKAFRN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952665 563069865 /nfs/dbraw/zinc/06/98/65/563069865.db2.gz HSYAEMYEWRBTOP-UHFFFAOYSA-N 0 0 442.331 5.903 1 0 IKAFRN CC1CCN(C(=O)c2ccc3c(c2)c2c(n3Cc3ccccc3)CN(C3CCCC3)C2)CC1 ZINC000028955198 563070086 /nfs/dbraw/zinc/07/00/86/563070086.db2.gz WSRONXQDDJEMCU-UHFFFAOYSA-N 0 0 441.619 5.820 1 0 IKAFRN C=C1OC=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(C(C)=O)cc3)C[C@@]12C ZINC000028954903 563070132 /nfs/dbraw/zinc/07/01/32/563070132.db2.gz YIMHWIPPIFQTPY-QYQUYBGJSA-N 0 0 441.571 6.100 1 0 IKAFRN CCCO[C@@H]1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2Cc1ccc(OC)cc1 ZINC000028955699 563070187 /nfs/dbraw/zinc/07/01/87/563070187.db2.gz UUUNKOINEPNIGQ-HHHXNRCGSA-N 0 0 425.528 5.863 1 0 IKAFRN CCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC ZINC000028956414 563070344 /nfs/dbraw/zinc/07/03/44/563070344.db2.gz JRZYFNWKXMUXEA-LADGPHEKSA-N 0 0 432.568 5.602 1 0 IKAFRN CCc1nc(N[C@@H](CC)c2ccccc2)c(CC)nc1Nc1ncc(Cl)cc1Cl ZINC000028956358 563070354 /nfs/dbraw/zinc/07/03/54/563070354.db2.gz NIMHOJJVTQKDIQ-KRWDZBQOSA-N 0 0 430.383 6.610 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@H]1CCc2ccc(Cl)cc2[C@H]1Cc1ccccc1 ZINC000028959258 563070620 /nfs/dbraw/zinc/07/06/20/563070620.db2.gz NFFVSJUMRUCIOC-RSXGOPAZSA-N 0 0 441.962 6.351 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@@H]1CCc2c(Cl)cccc2[C@H]1Cc1ccccc1 ZINC000028959220 563070629 /nfs/dbraw/zinc/07/06/29/563070629.db2.gz IGLYWXHZBJDYEO-ZEQKJWHPSA-N 0 0 441.962 6.351 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@H]1CCc2cc(Cl)ccc2[C@@H]1Cc1ccccc1 ZINC000028959236 563070630 /nfs/dbraw/zinc/07/06/30/563070630.db2.gz RHIDQKHRPVMEGG-AHWVRZQESA-N 0 0 441.962 6.351 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@@H]1CCc2cc(F)ccc2[C@@H]1Cc1cccs1 ZINC000028959298 563070724 /nfs/dbraw/zinc/07/07/24/563070724.db2.gz JKABFGLBOSYBEB-LADGPHEKSA-N 0 0 431.536 5.898 1 0 IKAFRN CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]2CC=C3C(=O)O[C@@H](O)[C@@H]3[C@@]12C ZINC000028969546 563071134 /nfs/dbraw/zinc/07/11/34/563071134.db2.gz VLFJWLVMFJQJEU-VUZQMFHASA-N 0 0 444.612 5.015 1 0 in-vitro IKAFRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC(=O)[C@]23CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]2CC[C@]13C ZINC000028972553 563071249 /nfs/dbraw/zinc/07/12/49/563071249.db2.gz GERUCBMNWOYIOR-NLEPFULASA-N 0 0 426.641 6.201 1 0 IKAFRN CC(C)(c1cc2cccnc2c(-c2cccc(-c3cnc4[nH]cnc4c3)c2)c1)S(C)(=O)=O ZINC000029037755 563071541 /nfs/dbraw/zinc/07/15/41/563071541.db2.gz CDVOKILBJWIWEM-UHFFFAOYSA-N 0 0 442.544 5.120 1 0 IKAFRN Fc1ccc(-c2nn3c(cc(Cl)cc3Cl)c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000029039956 563072024 /nfs/dbraw/zinc/07/20/24/563072024.db2.gz ZKYXVDDZBFULBP-UHFFFAOYSA-N 0 0 442.325 6.259 1 0 IKAFRN Cc1cc(NC(=O)Cc2ccccn2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029042546 563072240 /nfs/dbraw/zinc/07/22/40/563072240.db2.gz DKMLTVYPFSGWSD-UHFFFAOYSA-N 0 0 446.938 5.048 1 0 IKAFRN Cc1cc(NC(=O)Cc2ccccc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029042544 563072241 /nfs/dbraw/zinc/07/22/41/563072241.db2.gz QTTCBWNILMTSAV-UHFFFAOYSA-N 0 0 445.950 5.653 1 0 IKAFRN Cc1cc(C(=O)Nc2cccc(F)c2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029043121 563072333 /nfs/dbraw/zinc/07/23/33/563072333.db2.gz KOKXDGQSOSPMQT-UHFFFAOYSA-N 0 0 449.913 5.864 1 0 IKAFRN Cc1cc(C(=O)Nc2ccccc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029043205 563072346 /nfs/dbraw/zinc/07/23/46/563072346.db2.gz UOLPNGSLHSUNBF-UHFFFAOYSA-N 0 0 431.923 5.725 1 0 IKAFRN CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000029045408 563072499 /nfs/dbraw/zinc/07/24/99/563072499.db2.gz MCKYRROJSZQZSE-UHFFFAOYSA-N 0 0 446.938 6.833 1 0 IKAFRN CCOc1ccc(Cc2nc3cc(SCC)c(Cl)cc3n2CC2CCCCC2)cc1 ZINC000029046827 563072621 /nfs/dbraw/zinc/07/26/21/563072621.db2.gz MYOQNGMWHUTDEP-UHFFFAOYSA-N 0 0 443.056 7.372 1 0 IKAFRN O=C(Nc1nc2c(s1)COc1c(Cl)cccc1-2)c1ccc(Nc2ccncn2)cc1 ZINC000029048923 563072903 /nfs/dbraw/zinc/07/29/03/563072903.db2.gz GDIKDJYGXBIFOF-UHFFFAOYSA-N 0 0 435.896 5.142 1 0 IKAFRN CC1(C)CCCN(C(=O)c2cccc(COc3c(Cl)cc(Cl)cc3Cl)n2)C1 ZINC000029049328 563072907 /nfs/dbraw/zinc/07/29/07/563072907.db2.gz MRXXKXUKVKAGBX-UHFFFAOYSA-N 0 0 427.759 5.883 1 0 IKAFRN COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1F)O2)C(C)=CC(C)(C)N3 ZINC000029051250 563073120 /nfs/dbraw/zinc/07/31/20/563073120.db2.gz ACYYHAZVNHMRMQ-XKZIYDEJSA-N 0 0 443.518 7.013 1 0 in-vivo IKAFRN CC(=O)S[C@H](CCc1ccccc1)[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 ZINC000029053205 563073183 /nfs/dbraw/zinc/07/31/83/563073183.db2.gz CFRFZOJZPLDJPP-UBFVSLLYSA-N 0 0 449.547 5.517 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cccc2ccccc21 ZINC000029053437 563073294 /nfs/dbraw/zinc/07/32/94/563073294.db2.gz LZBIXRGYFZPMDA-VWLOTQADSA-N 0 0 436.599 7.525 1 0 IKAFRN CCN(c1cccc2ccccc21)[C@H]1CCCc2nc(-c3ccccc3F)cc(OC)c21 ZINC000029053581 563073295 /nfs/dbraw/zinc/07/32/95/563073295.db2.gz JZWUMLVHJPFGLQ-SANMLTNESA-N 0 0 426.535 6.953 1 0 IKAFRN CCN(c1cccc2ccccc21)[C@H]1CCCc2nc(-c3c(C)cccc3C)cc(OC)c21 ZINC000029054186 563073297 /nfs/dbraw/zinc/07/32/97/563073297.db2.gz WZHJGVYLHFQMTL-MHZLTWQESA-N 0 0 436.599 7.431 1 0 IKAFRN CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc5ccccc5c4)c3)c2C1 ZINC000029054938 563073393 /nfs/dbraw/zinc/07/33/93/563073393.db2.gz WQXKZVSYGFRVPX-FQEVSTJZSA-N 0 0 428.536 5.476 1 0 IKAFRN CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]34CCCC4=O)[C@@H]3CCC4=CC(=O)CCC4=C23)cc1 ZINC000029061181 563073707 /nfs/dbraw/zinc/07/37/07/563073707.db2.gz QYGMXYALPBPWHP-HMWAHOBHSA-N 0 0 443.631 6.392 1 0 IKAFRN COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccccc1 ZINC000029063038 563073731 /nfs/dbraw/zinc/07/37/31/563073731.db2.gz AMNOMUYOEKCNPJ-UHFFFAOYSA-N 0 0 448.316 5.266 1 0 IKAFRN CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@]1(C)C[C@@H]3[C@H](C[C@@H]1C2)C3(C)C ZINC000029063850 563073748 /nfs/dbraw/zinc/07/37/48/563073748.db2.gz YRUMADCOMZIMSN-YODCPCFASA-N 0 0 442.596 5.931 1 0 IKAFRN COc1ccc2cc1Oc1ccc(cc1)CCc1ccccc1-c1ccc(cc1OC)CC2 ZINC000029124351 563074114 /nfs/dbraw/zinc/07/41/14/563074114.db2.gz BXLSIUXUNIEEJB-UHFFFAOYSA-N 0 0 436.551 7.047 1 0 IKAFRN Cc1c(-c2nnnn2C(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000029124900 563074189 /nfs/dbraw/zinc/07/41/89/563074189.db2.gz MJMCOPVIGIALOG-UHFFFAOYSA-N 0 0 447.757 6.042 1 0 IKAFRN COc1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)[C@@H](O)C2 ZINC000029125707 563074430 /nfs/dbraw/zinc/07/44/30/563074430.db2.gz AHEUOGKHUTTYGP-FQEVSTJZSA-N 0 0 448.733 5.904 1 0 IKAFRN COc1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)[C@H](O)C2 ZINC000029125708 563074484 /nfs/dbraw/zinc/07/44/84/563074484.db2.gz AHEUOGKHUTTYGP-HXUWFJFHSA-N 0 0 448.733 5.904 1 0 IKAFRN CCC(O)(CC)CCS[C@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128793 563075203 /nfs/dbraw/zinc/07/52/03/563075203.db2.gz JBIJFMQWUGBEEN-YAZIWKQMSA-N 0 0 448.713 5.944 1 0 IKAFRN CCC(O)(CC)CCS[C@@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128841 563075217 /nfs/dbraw/zinc/07/52/17/563075217.db2.gz JBIJFMQWUGBEEN-UDUGGGTQSA-N 0 0 448.713 5.944 1 0 IKAFRN COc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2C(=O)c2ccccc2)cc1 ZINC000029128757 563075261 /nfs/dbraw/zinc/07/52/61/563075261.db2.gz JXIMRXCLPHMMNA-MUUNZHRXSA-N 0 0 432.523 6.354 1 0 IKAFRN CC(C)c1ccc(CNc2cc(C(F)(F)F)nc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000029132471 563075727 /nfs/dbraw/zinc/07/57/27/563075727.db2.gz UKKJDWZQRFYEPD-UHFFFAOYSA-N 0 0 449.498 5.301 1 0 IKAFRN CCOC(=O)c1c(N)sc(-c2ccc(Cl)cc2)c1-c1cccc(C(F)(F)F)c1 ZINC000029132547 563075758 /nfs/dbraw/zinc/07/57/58/563075758.db2.gz FHLZEGKKISKBRZ-UHFFFAOYSA-N 0 0 425.859 6.513 1 0 IKAFRN CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)O[C@@H](c1ccccc1)C=C4)O[C@@H](C)CC3=O ZINC000029133262 563075960 /nfs/dbraw/zinc/07/59/60/563075960.db2.gz NZPJILIUHUBLLF-SCLBCKFNSA-N 0 0 436.891 5.900 1 0 IKAFRN O=C1C[C@@H](c2cccc(Br)c2)c2c(ccc3cc(Br)ccc32)O1 ZINC000029136134 563076312 /nfs/dbraw/zinc/07/63/12/563076312.db2.gz XFSJRBRIPSJKSB-INIZCTEOSA-N 0 0 432.111 5.806 1 0 IKAFRN Clc1ccc([C@](c2ccccc2)(c2ccc(CN3CCOCC3)cc2)n2ccnc2)cc1 ZINC000029134911 563076151 /nfs/dbraw/zinc/07/61/51/563076151.db2.gz CZZZCBVEVCYMDS-MHZLTWQESA-N 0 0 443.978 5.209 1 0 IKAFRN O=C1C[C@@H](c2ccccc2)c2c(ccc3cc(-c4ccc(-c5ccccc5)cc4)ccc32)O1 ZINC000029135335 563076187 /nfs/dbraw/zinc/07/61/87/563076187.db2.gz SDARFLZMXDKZDI-NDEPHWFRSA-N 0 0 426.515 7.615 1 0 IKAFRN Cc1ccc(/C=C2\CS(=O)(=O)Cc3c(-c4ccc(C)cc4)nn(CC(F)(F)F)c32)cc1 ZINC000029240501 563077084 /nfs/dbraw/zinc/07/70/84/563077084.db2.gz LUKWJLTYTKJZSZ-YBFXNURJSA-N 0 0 446.494 5.198 1 0 IKAFRN CSc1ccc(/C=C2\CSC[C@H]3C2=NN(C(C)=O)[C@H]3c2ccc(SC)cc2)cc1 ZINC000029244850 563077186 /nfs/dbraw/zinc/07/71/86/563077186.db2.gz OXNNTRQWIBIUKJ-FDVLFSPDSA-N 0 0 440.659 5.836 1 0 IKAFRN CCCN1N=C2/C(=C/c3ccc(Cl)cc3)CS(=O)(=O)C[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000029306225 563077364 /nfs/dbraw/zinc/07/73/64/563077364.db2.gz PBVUABNYOBNMIK-IZTRUXSPSA-N 0 0 449.403 5.244 1 0 IKAFRN COc1ccc([C@H]2CC[C@@H](OCc3ccc(-n4c(C)nc5ccccc54)cc3)O2)cc1OC ZINC000029311232 563077443 /nfs/dbraw/zinc/07/74/43/563077443.db2.gz HJQFXLTXKOEJDR-SQHAQQRYSA-N 0 0 444.531 5.746 1 0 IKAFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C=CC=C2SC(=O)NC2=O)cc1 ZINC000029314087 563077562 /nfs/dbraw/zinc/07/75/62/563077562.db2.gz BZZAQETUYKUCBU-QJGNECTJSA-N 0 0 432.501 5.152 1 0 IKAFRN CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1NCc1ccc(OC)c(Cl)c1 ZINC000029339796 563078335 /nfs/dbraw/zinc/07/83/35/563078335.db2.gz KVNCMWLMNCGOGL-UHFFFAOYSA-N 0 0 438.833 5.704 1 0 IKAFRN Cc1cc2ccc1[C@@H]1CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CCC[C@@H](C)CC[C@](C)(O)C2 ZINC000029405180 563079558 /nfs/dbraw/zinc/07/95/58/563079558.db2.gz JAMSPNAQAVUVME-DOYZVJTLSA-N 0 0 440.756 8.851 1 0 IKAFRN COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@H]2NC(=O)C(c1ccccc1)c1ccccc1 ZINC000029462953 563080219 /nfs/dbraw/zinc/08/02/19/563080219.db2.gz KPUXXSOUMFKFFY-POURPWNDSA-N 0 0 447.578 6.415 1 0 IKAFRN N=c1sc(-c2cc(C(F)(F)F)ccc2F)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000029463981 563080269 /nfs/dbraw/zinc/08/02/69/563080269.db2.gz TZJCVBPEENDZMH-UHFFFAOYSA-N 0 0 442.652 6.198 1 0 IKAFRN O=C(Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC1CCC1)CC3)c1ccccc1 ZINC000029464746 563080289 /nfs/dbraw/zinc/08/02/89/563080289.db2.gz HMZOMKWKBKHNRX-YRLRHBCXSA-N 0 0 428.576 5.438 1 0 IKAFRN FC(F)(F)c1ccc(-c2nc(-c3ccc(OCCCn4ccnc4)cc3)cs2)cc1 ZINC000029473899 563080751 /nfs/dbraw/zinc/08/07/51/563080751.db2.gz YWEYMPMBJGNUPT-UHFFFAOYSA-N 0 0 429.467 6.162 1 0 IKAFRN CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCC(c1ccccc1)c1ccccc1 ZINC000029475431 563080825 /nfs/dbraw/zinc/08/08/25/563080825.db2.gz RGSBYQBRJIRCMA-DEOSSOPVSA-N 0 0 449.591 5.138 1 0 IKAFRN Ic1cc(Oc2ccccc2)ccc1OCCO[C@@H]1CCCCO1 ZINC000029485019 563081315 /nfs/dbraw/zinc/08/13/15/563081315.db2.gz SBGDKINRRNFIMN-LJQANCHMSA-N 0 0 440.277 5.006 1 0 IKAFRN Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCCc3ccccn3)nc1)CC2 ZINC000029486812 563081421 /nfs/dbraw/zinc/08/14/21/563081421.db2.gz IZKXNOUTNFNXDW-UHFFFAOYSA-N 0 0 442.441 5.020 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1cccc(Cl)c1 ZINC000029486521 563081432 /nfs/dbraw/zinc/08/14/32/563081432.db2.gz MSWZPFQOAIQKFS-UHFFFAOYSA-N 0 0 446.982 7.570 1 0 IKAFRN O=C(CCCCCC=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1 ZINC000029488057 563081499 /nfs/dbraw/zinc/08/14/99/563081499.db2.gz AMDYLCAIPOENPM-UHFFFAOYSA-N 0 0 426.604 6.603 1 0 IKAFRN Cc1ccc(S(=O)(=O)N2c3ccccc3C(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000029489582 563081555 /nfs/dbraw/zinc/08/15/55/563081555.db2.gz FXWOMJWHQPKJAE-UHFFFAOYSA-N 0 0 439.536 5.065 1 0 IKAFRN Cc1ncccc1-n1c(NC(=O)Nc2c(C(C)C)cccc2C(C)C)nc2ccccc21 ZINC000029544942 563081627 /nfs/dbraw/zinc/08/16/27/563081627.db2.gz XIADYPWQWSGUPB-UHFFFAOYSA-N 0 0 427.552 6.620 1 0 IKAFRN COc1c(Cl)cc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000029547300 563081740 /nfs/dbraw/zinc/08/17/40/563081740.db2.gz ZWAVMLHHOIMTET-UHFFFAOYSA-N 0 0 443.298 6.018 1 0 IKAFRN CC1(C)CC[C@@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000029549232 563081852 /nfs/dbraw/zinc/08/18/52/563081852.db2.gz PSZDOEIIIJFCFE-ACEGBUHXSA-N 0 0 442.728 7.141 1 0 IKAFRN NC(=O)[C@H](Cc1ccccc1)N(Cc1cc(-c2ccccc2Cl)on1)Cc1ccccc1 ZINC000029555832 563082087 /nfs/dbraw/zinc/08/20/87/563082087.db2.gz MXUNNZKDRDCYHL-DEOSSOPVSA-N 0 0 445.950 5.094 1 0 IKAFRN CCNC(=O)O/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@H](OC(=O)NCC)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000031829765 563083489 /nfs/dbraw/zinc/08/34/89/563083489.db2.gz ODSCMQMBEHYDCG-YAOCGMEVSA-N 0 0 445.604 5.166 1 0 IKAFRN C/C1=C/CC[C@@](C)(O)[C@@H]2C[C@H]3[C@@H](CSc4ccccc4)C(=O)O[C@H]3[C@@H](O2)[C@H](C)CCC1 ZINC000031894910 563083711 /nfs/dbraw/zinc/08/37/11/563083711.db2.gz KAWKSVZQTQFMCS-PYWPCZRXSA-N 0 0 444.637 5.392 1 0 IKAFRN O=C(c1ccccc1)c1ccc2nc3n(c2c1)[C@@H](c1c(Cl)cccc1Cl)SC3 ZINC000031900863 563083769 /nfs/dbraw/zinc/08/37/69/563083769.db2.gz VYPGAZQJNTXJSS-JOCHJYFZSA-N 0 0 425.340 6.368 1 0 IKAFRN CSc1cnc2ccccc2c1S[C@@H]1CN(Cc2ccccc2)c2ccccc2C1=O ZINC000031901359 563083777 /nfs/dbraw/zinc/08/37/77/563083777.db2.gz DWCIIVYEQCOHJT-XMMPIXPASA-N 0 0 442.609 6.321 1 0 IKAFRN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1c(Cl)c(Cl)ccc1n2O ZINC000032292908 563084234 /nfs/dbraw/zinc/08/42/34/563084234.db2.gz ISRGQKQOTYGTTJ-JTQLQIEISA-N 0 0 442.220 5.477 1 0 IKAFRN CCC(=O)C(CCCOc1ccc(OCCCC(C(=O)CC)C(=O)CC)cc1)C(=O)CC ZINC000033494079 563084501 /nfs/dbraw/zinc/08/45/01/563084501.db2.gz IVDIUOLOWJOKPB-UHFFFAOYSA-N 0 0 446.584 5.153 1 0 IKAFRN CN(CCCNc1ccnc2cc(Cl)ccc21)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000033663769 563084618 /nfs/dbraw/zinc/08/46/18/563084618.db2.gz KTXHNRVMJKZYHF-UHFFFAOYSA-N 0 0 429.951 6.129 1 0 IKAFRN CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccco2)nc2ccccn21 ZINC000033745211 563084676 /nfs/dbraw/zinc/08/46/76/563084676.db2.gz NNKRSSJRTQNBMK-UHFFFAOYSA-N 0 0 431.536 6.440 1 0 IKAFRN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4Nc5c(cnn5-c5ccccc5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000033849430 563084887 /nfs/dbraw/zinc/08/48/87/563084887.db2.gz PYIBTPZZBALTBR-GZHURBTASA-N 0 0 433.596 5.383 1 0 IKAFRN CC(C)=CCC/C(C)=C/[C@@H](O)C/C(C)=C/CC[C@](C)(O)/C=C\c1cc(O)c(C)cc1O ZINC000033836487 563084891 /nfs/dbraw/zinc/08/48/91/563084891.db2.gz UHUUMLHCKBNMSI-YQBDCGJDSA-N 0 0 428.613 6.341 1 0 IKAFRN CC(C)=CCC[C@@H](C)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000033902868 563084946 /nfs/dbraw/zinc/08/49/46/563084946.db2.gz YORJEFOAAXJWIS-QOXWJFHWSA-N 0 0 440.712 7.514 1 0 IKAFRN CCC1=C(c2ccc(O)cc2)c2ccc(OC[C@@H](O)CO)cc2SCc2ccccc21 ZINC000033889767 563084980 /nfs/dbraw/zinc/08/49/80/563084980.db2.gz CNRYVGFMLOYJPF-FQEVSTJZSA-N 0 0 434.557 5.099 1 0 IKAFRN CCC1=C(c2ccc(O)cc2)c2ccc(OC[C@H](O)CO)cc2SCc2ccccc21 ZINC000033889765 563084986 /nfs/dbraw/zinc/08/49/86/563084986.db2.gz CNRYVGFMLOYJPF-HXUWFJFHSA-N 0 0 434.557 5.099 1 0 IKAFRN COc1c(OC)c(OC)c2c(=O)cc(-c3ccc(OCc4ccccc4)cc3)oc2c1OC ZINC000034078853 563085468 /nfs/dbraw/zinc/08/54/68/563085468.db2.gz QGTKJWKVIVBJLN-UHFFFAOYSA-N 0 0 448.471 5.073 1 0 IKAFRN COC1=C(C)C(=O)O/C1=C\[C@@H](C)CCC/C(C)=C/CC[C@@](C)(O)CCCc1ccoc1 ZINC000034215649 563085882 /nfs/dbraw/zinc/08/58/82/563085882.db2.gz UUWZWDHAXYJGAB-SBLNQCPPSA-N 0 0 430.585 6.247 1 0 IKAFRN COc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1O)CCc1ccc-2c(O)c1 ZINC000034275140 563085941 /nfs/dbraw/zinc/08/59/41/563085941.db2.gz DXBKBLARMLPGND-UHFFFAOYSA-N 0 0 438.523 6.450 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000034299068 563086055 /nfs/dbraw/zinc/08/60/55/563086055.db2.gz QGERZRKJXVVRQA-NJACTVBXSA-N 0 0 444.744 8.150 1 0 in-vitro IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cc(F)ccc2[nH]1)C(F)(F)F ZINC000034323842 563086105 /nfs/dbraw/zinc/08/61/05/563086105.db2.gz HFWXCPFGOCGJDK-OAQYLSRUSA-N 0 0 427.413 5.659 1 0 IKAFRN C[C@H]1[C@H](O)C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]12C ZINC000034302792 563086113 /nfs/dbraw/zinc/08/61/13/563086113.db2.gz VCKICINOBWSZNZ-ZWDSCLLQSA-N 0 0 442.728 7.428 1 0 IKAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc32)n[nH]1 ZINC000034393318 563086315 /nfs/dbraw/zinc/08/63/15/563086315.db2.gz VAKWGLDYQAWDPS-UHFFFAOYSA-N 0 0 448.552 5.903 1 0 IKAFRN 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/nfs/dbraw/zinc/08/69/36/563086936.db2.gz ZWGZNSHTARTLGP-AREMUKBSSA-N 0 0 437.543 5.280 1 0 IKAFRN CCCCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCC3=CC(=O)CCC3=C12 ZINC000034799892 563087139 /nfs/dbraw/zinc/08/71/39/563087139.db2.gz AHBGXQDJONQGOL-NFWZRYHXSA-N 0 0 440.712 8.090 1 0 IKAFRN Cc1cccc(C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1 ZINC000034790843 563087190 /nfs/dbraw/zinc/08/71/90/563087190.db2.gz AYZBGELVIWCHIM-UHFFFAOYSA-N 0 0 449.518 5.010 1 0 IKAFRN CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cc(C)c(OC)c(C)c3)C[C@@]21C ZINC000034802072 563087582 /nfs/dbraw/zinc/08/75/82/563087582.db2.gz KDIWUNMFIJRNSJ-GJDJGZIVSA-N 0 0 444.615 5.966 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1CCCc2ccccc21)C(F)(F)F ZINC000034802063 563087617 /nfs/dbraw/zinc/08/76/17/563087617.db2.gz XJFMATJFYVPYBR-QFIPXVFZSA-N 0 0 425.466 5.248 1 0 IKAFRN CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)cc3C)C[C@@]21C ZINC000034802070 563087610 /nfs/dbraw/zinc/08/76/10/563087610.db2.gz BEWGUGRJMZWUMI-GCNJZUOMSA-N 0 0 430.588 5.658 1 0 IKAFRN Cc1cccc(-c2ccc(/C=C/[C@@H]3[C@@H]4[C@@H](C)OC(=O)[C@@H]4C[C@@H]4CC(F)(F)CC[C@H]43)nc2)c1 ZINC000034802922 563087789 /nfs/dbraw/zinc/08/77/89/563087789.db2.gz HORIUOVNWTZAFL-IPEJPRIBSA-N 0 0 437.530 6.319 1 0 IKAFRN O=S(=O)(Cc1cccn2c1nnc2C1CCCCCC1)c1c(Cl)cccc1Cl ZINC000034808868 563087962 /nfs/dbraw/zinc/08/79/62/563087962.db2.gz DSRHBRALKDZPOG-UHFFFAOYSA-N 0 0 438.380 5.448 1 0 IKAFRN COC(C)(C)CCn1nc(Nc2c(C)cc(F)cc2C)c2cnc(Nc3ccccc3)nc21 ZINC000034946367 563088540 /nfs/dbraw/zinc/08/85/40/563088540.db2.gz OTMWAKOGGPPKJE-UHFFFAOYSA-N 0 0 448.546 5.885 1 0 IKAFRN CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C(C)(C)O)OCCC[C@H]4[C@]3(C)CC[C@@]12C ZINC000035003652 563088768 /nfs/dbraw/zinc/08/87/68/563088768.db2.gz JNEHSZSTSJZRIW-SOHIRCJKSA-N 0 0 444.744 7.938 1 0 IKAFRN Cc1nnc(SCC(=O)Nc2ccc(C)cc2Cl)n1-c1cccc(C(F)(F)F)c1 ZINC000035002806 563088769 /nfs/dbraw/zinc/08/87/69/563088769.db2.gz 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CN(CCCNc1ccnc2cc(Cl)ccc21)S(=O)(=O)c1ccc2ccccc2c1 ZINC000035190813 563089511 /nfs/dbraw/zinc/08/95/11/563089511.db2.gz POARXXYBUYLHHF-UHFFFAOYSA-N 0 0 439.968 5.164 1 0 IKAFRN COc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1-c1c(Br)cnn1C ZINC000035920678 563090327 /nfs/dbraw/zinc/09/03/27/563090327.db2.gz YZVIJLBIWGHYKU-UHFFFAOYSA-N 0 0 443.345 5.626 1 0 IKAFRN CC[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000035920682 563090434 /nfs/dbraw/zinc/09/04/34/563090434.db2.gz OORQUPFVDYRXIS-CYBMUJFWSA-N 0 0 443.395 5.101 1 0 IKAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CCOc2ccccc21 ZINC000035984334 563090658 /nfs/dbraw/zinc/09/06/58/563090658.db2.gz QZHSNXPJBHKISL-UHFFFAOYSA-N 0 0 429.398 5.760 1 0 IKAFRN CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000035998227 563090665 /nfs/dbraw/zinc/09/06/65/563090665.db2.gz YDNYDUBBAZTLTQ-FSEYCXJLSA-N 0 0 444.744 7.220 1 0 IKAFRN COC(=O)c1c(-c2cccs2)c(-c2cccs2)c2c3cc(OC)c(O)cc3ccn12 ZINC000035997974 563090707 /nfs/dbraw/zinc/09/07/07/563090707.db2.gz XOFNKJBMIZPLMI-UHFFFAOYSA-N 0 0 435.526 6.050 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2sc(CCc3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000036126940 563091141 /nfs/dbraw/zinc/09/11/41/563091141.db2.gz ODYNMIGMQVXSMY-UHFFFAOYSA-N 0 0 437.561 5.805 1 0 IKAFRN O=S(=O)(c1ccc(Cl)cc1)[C@@]1(c2cc(F)ccc2F)CCC[C@H](CCCO)C1 ZINC000036175643 563091485 /nfs/dbraw/zinc/09/14/85/563091485.db2.gz HKLAPOGFLJUIME-VFNWGFHPSA-N 0 0 428.928 5.250 1 0 IKAFRN CN1CC[C@](O)(c2ccc(Cl)cc2Cl)[C@H]([C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000036177267 563091566 /nfs/dbraw/zinc/09/15/66/563091566.db2.gz OVHJBARWJMLZJX-SNRMKQJTSA-N 0 0 435.178 5.173 1 0 IKAFRN O=C([O-])[C@@H]1C[NH2+][C@H](c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 ZINC000036178507 563091693 /nfs/dbraw/zinc/09/16/93/563091693.db2.gz DHVYHNBDKXSJGJ-JXFKEZNVSA-N 0 0 447.478 5.748 1 0 IKAFRN O=C1CCN2c3nc(Nc4ccc(F)cc4)ncc3C=C(c3c(Cl)cccc3Cl)N12 ZINC000036187660 563091884 /nfs/dbraw/zinc/09/18/84/563091884.db2.gz XNBRDYCRMAQQNR-UHFFFAOYSA-N 0 0 442.281 5.132 1 0 IKAFRN CCCCCN(C(=O)CCC)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000036189656 563091916 /nfs/dbraw/zinc/09/19/16/563091916.db2.gz WBGPDNKNLSWTLR-GWYHBEFWSA-N 0 0 444.704 6.037 1 0 IKAFRN CCCCCN(C(=O)CC)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000036189664 563091937 /nfs/dbraw/zinc/09/19/37/563091937.db2.gz IGDIQMAESGWESP-VGTBBYNQSA-N 0 0 430.677 5.647 1 0 IKAFRN CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000036294974 563092663 /nfs/dbraw/zinc/09/26/63/563092663.db2.gz UNBKHVKAEFBHAN-OCLIHCLJSA-N 0 0 446.716 5.966 1 0 in-vivo IKAFRN O=c1cc(-c2ccc(-c3c(=O)c4ccccc4oc3-c3ccccc3)cc2)oc2ccccc12 ZINC000036310631 563092680 /nfs/dbraw/zinc/09/26/80/563092680.db2.gz DKAAIRCEBVCHAT-UHFFFAOYSA-N 0 0 442.470 6.900 1 0 in-vivo IKAFRN CCCCCn1cc(C(=O)c2cccc3ccccc32)cc1-c1ccc(C(F)(F)F)cc1 ZINC000036294629 563092686 /nfs/dbraw/zinc/09/26/86/563092686.db2.gz KFMFBZYLXNTONN-UHFFFAOYSA-N 0 0 435.489 7.748 1 0 in-vivo IKAFRN NC(=O)N[C@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000036324359 563092814 /nfs/dbraw/zinc/09/28/14/563092814.db2.gz VGUKDVJSFQFTIS-OKZBNKHCSA-N 0 0 446.391 5.224 1 0 IKAFRN Nc1ccccc1NC(=O)/C=C/c1ccc(NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000036338674 563092933 /nfs/dbraw/zinc/09/29/33/563092933.db2.gz AAXBXXDKDYKQMX-NTEUORMPSA-N 0 0 427.426 5.431 1 0 IKAFRN Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c21 ZINC000036338832 563093046 /nfs/dbraw/zinc/09/30/46/563093046.db2.gz CBCKPZZVJQHROG-UHFFFAOYSA-N 0 0 448.405 5.137 1 0 IKAFRN CCCC[C@]12Cc3cc(OC)c(OC)cc3[C@H](O1)c1c(cc(-c3ccccc3)oc1=O)O2 ZINC000036379193 563093584 /nfs/dbraw/zinc/09/35/84/563093584.db2.gz BFLVHOOXEHNJMX-AZGAKELHSA-N 0 0 434.488 5.265 1 0 IKAFRN O=C(Cc1ccccc1)Nc1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000036379108 563093597 /nfs/dbraw/zinc/09/35/97/563093597.db2.gz QUVMAECBIAMORA-VWLOTQADSA-N 0 0 443.506 6.097 3 0 IKAFRN CCCC[C@]12Cc3cc(OC)c(OC)cc3[C@H](O1)C1=C(CC3(CCCCC3)OC1=O)O2 ZINC000036379179 563093606 /nfs/dbraw/zinc/09/36/06/563093606.db2.gz VXEPLFJKOYPCRT-WIOPSUGQSA-N 0 0 428.525 5.138 1 0 IKAFRN CC1=CC[C@@H](COc2ccccc2)O[C@]2(C1)c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036381987 563093836 /nfs/dbraw/zinc/09/38/36/563093836.db2.gz ZQIJUFOQOUADII-RBJSKKJNSA-N 0 0 443.518 5.772 1 0 IKAFRN CCCCCCSc1cc(-c2nc3cc(C)ccn3c2NCCCC)ccc1OC ZINC000036382310 563093945 /nfs/dbraw/zinc/09/39/45/563093945.db2.gz NTPRRWMGHFBRFN-UHFFFAOYSA-N 0 0 425.642 7.203 3 0 IKAFRN CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12 ZINC000036382968 563094133 /nfs/dbraw/zinc/09/41/33/563094133.db2.gz YXKDRLHTIQHKRZ-BVAGGSTKSA-N 0 0 431.919 5.094 3 0 IKAFRN CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=C(CC[C@H]21)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000036384368 563094382 /nfs/dbraw/zinc/09/43/82/563094382.db2.gz CDCKBLNAQWOFID-ANVBBVGYSA-N 0 0 438.696 7.700 3 0 IKAFRN CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000036384949 563094386 /nfs/dbraw/zinc/09/43/86/563094386.db2.gz DOMWKUIIPQCAJU-NBBIHWAKSA-N 0 0 428.613 5.970 1 0 IKAFRN C[C@]12C[C@@]3(CC1=O)CC[C@H]1[C@](C)(C(=O)Nc4ccc(Cl)cc4)CCC[C@@]1(C)[C@@H]3CC2 ZINC000036387896 563094712 /nfs/dbraw/zinc/09/47/12/563094712.db2.gz RXOFZYKGYHUSJG-XXDJHVPWSA-N 0 0 428.016 6.651 3 0 IKAFRN COc1ccc(Br)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036388315 563094802 /nfs/dbraw/zinc/09/48/02/563094802.db2.gz XIZWFWLMRNKXER-OZPQRRJYSA-N 0 0 426.354 5.370 1 0 IKAFRN Cc1ccc(-c2cc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000036388473 563094851 /nfs/dbraw/zinc/09/48/51/563094851.db2.gz KQNOSVLASOFLIV-NLFWHDTNSA-N 0 0 425.547 6.857 1 0 IKAFRN COc1ccc([C@@H]2C=CCN(Cc3ccccc3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388537 563094859 /nfs/dbraw/zinc/09/48/59/563094859.db2.gz FZJPBLUXGQUAOK-ZBLYBZFDSA-N 0 0 444.550 5.365 1 0 IKAFRN COc1ccc(-c2c3cc(-c4cc[nH]n4)ccc3n(C)c2-c2cc(OC)cc(OC)c2)cc1 ZINC000036388837 563094864 /nfs/dbraw/zinc/09/48/64/563094864.db2.gz DGMBGNDGWVUWFU-UHFFFAOYSA-N 0 0 439.515 5.928 3 0 IKAFRN COc1cccc(-c2ncc3ccccc3c2COC(=O)c2cccc(Br)c2)c1 ZINC000036388741 563094879 /nfs/dbraw/zinc/09/48/79/563094879.db2.gz OXZFOVHRUIDZQO-UHFFFAOYSA-N 0 0 448.316 6.030 3 0 IKAFRN CC(C)c1[nH+]ccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@H]1CC(=O)[O-] ZINC000036402896 563095060 /nfs/dbraw/zinc/09/50/60/563095060.db2.gz LUZBJNWFEDHIPR-LBPRGKRZSA-N 0 0 435.376 6.580 1 0 IKAFRN CC(C)C(=O)SCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCCCC1 ZINC000036472679 563095399 /nfs/dbraw/zinc/09/53/99/563095399.db2.gz DBPPXUDJRYMWPD-IBGZPJMESA-N 0 0 442.666 5.195 1 0 IKAFRN Clc1cccc2c1nnc(Cc1ccccc1)c2-c1cccc(OCc2ccccc2)c1 ZINC000036479967 563095552 /nfs/dbraw/zinc/09/55/52/563095552.db2.gz WLJAORRKUJBIBV-UHFFFAOYSA-N 0 0 436.942 7.120 1 0 IKAFRN CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc(OCC(=O)OC)cc1 ZINC000036757867 563095790 /nfs/dbraw/zinc/09/57/90/563095790.db2.gz QWHZESJTJBNHNG-UHFFFAOYSA-N 0 0 426.431 5.058 1 0 IKAFRN CC(C)CCn1c2ccccc2nc1Cn1c2ccccc2n(Cc2ccc(O)cc2)c1=O ZINC000038142806 563096185 /nfs/dbraw/zinc/09/61/85/563096185.db2.gz CTGCMRZNXUYDJR-UHFFFAOYSA-N 0 0 440.547 5.001 1 0 IKAFRN COc1cccc([C@@H]2c3c(ccc4ccccc43)Oc3ncn(-c4cccc(F)c4)c(=N)c32)c1 ZINC000038142919 563096187 /nfs/dbraw/zinc/09/61/87/563096187.db2.gz HMBZXVLGWRYJBC-XMMPIXPASA-N 0 0 449.485 5.939 1 0 IKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccc(F)cc4)c(=N)c32)c1 ZINC000038142909 563096188 /nfs/dbraw/zinc/09/61/88/563096188.db2.gz WTOSUUIAVASJGF-DEOSSOPVSA-N 0 0 449.485 5.939 1 0 IKAFRN CC(C)C(=O)Nc1ccc2[nH]c(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nc2c1 ZINC000038147884 563096441 /nfs/dbraw/zinc/09/64/41/563096441.db2.gz XCOFCEWPEWTFOM-UHFFFAOYSA-N 0 0 432.911 5.730 1 0 IKAFRN C[C@@]1([C@H](NC(=O)Cc2ccccc2)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CCCCC1 ZINC000038179219 563096945 /nfs/dbraw/zinc/09/69/45/563096945.db2.gz YMXJUBYHIDHEPY-FAOMPSFFSA-N 0 0 437.627 7.360 1 0 IKAFRN CC[C@@H](CN(C(=O)c1ccccc1)c1cccc(Cl)c1)OC(=O)NCc1ccccc1 ZINC000038232243 563097154 /nfs/dbraw/zinc/09/71/54/563097154.db2.gz JCCZNTVBVJVUAP-QHCPKHFHSA-N 0 0 436.939 5.692 1 0 IKAFRN Brc1cccc(Nc2ncnc3cc4c(cc32)OCCCSCCCO4)c1 ZINC000038460817 563097836 /nfs/dbraw/zinc/09/78/36/563097836.db2.gz UAUYDWVTYSZYGT-UHFFFAOYSA-N 0 0 446.370 5.421 1 0 IKAFRN COCO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CC[C@@H](C)C(C)C)C3=CC[C@H]2C1 ZINC000038657450 563098170 /nfs/dbraw/zinc/09/81/70/563098170.db2.gz MLZBUOIECYSOFW-JWOYFODFSA-N 0 0 444.744 8.263 1 0 IKAFRN CC(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N ZINC000038799837 563098241 /nfs/dbraw/zinc/09/82/41/563098241.db2.gz ILRZJJOUTMEDRK-UHFFFAOYSA-N 0 0 431.706 6.907 1 0 IKAFRN O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000038800987 563098372 /nfs/dbraw/zinc/09/83/72/563098372.db2.gz PHOVIPPURLHZTI-UHFFFAOYSA-N 0 0 446.550 6.589 1 0 IKAFRN O=C([O-])c1ccc(CCCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000038908122 563098514 /nfs/dbraw/zinc/09/85/14/563098514.db2.gz UURQFLKKSYYPEF-UHFFFAOYSA-N 0 0 443.587 5.356 1 0 in-vitro IKAFRN CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]12C ZINC000038906710 563098535 /nfs/dbraw/zinc/09/85/35/563098535.db2.gz PDGUDHUKTNJAMM-GSHMMLCQSA-N 0 0 428.745 8.727 1 0 IKAFRN CCC(=O)C(CCCCCCOc1ccc(OC(=O)c2ccc(C)cc2)cc1)=C(O)CC ZINC000039214251 563098915 /nfs/dbraw/zinc/09/89/15/563098915.db2.gz GCFGIDQOXPJGHY-UHFFFAOYSA-N 0 0 438.564 6.118 1 0 IKAFRN COC(=O)[C@H](Oc1ccc(C(C)(C)C)cc1)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000039242769 563099008 /nfs/dbraw/zinc/09/90/08/563099008.db2.gz SLCHNYWACOBUPH-HSZRJFAPSA-N 0 0 440.992 7.082 1 0 IKAFRN COC(=O)[C@H](Oc1ccc(NC(C)=O)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242777 563099105 /nfs/dbraw/zinc/09/91/05/563099105.db2.gz VUBSAJSIKQWCMN-JOCHJYFZSA-N 0 0 425.868 5.384 1 0 IKAFRN CC(C)(C)CC(=O)Nc1cc(-c2ccnc3c(C(=O)c4cccs4)cnn32)ccc1F ZINC000040380751 563099778 /nfs/dbraw/zinc/09/97/78/563099778.db2.gz KRAWMJOROJXHRJ-UHFFFAOYSA-N 0 0 436.512 5.203 1 0 IKAFRN Cc1cc(O)c([C@]2(C)CC[C@@H]3C[C@@]32C)cc1-c1cc([C@]2(C)CC[C@@H]3C[C@@]32C)c(O)cc1C ZINC000040392059 563099876 /nfs/dbraw/zinc/09/98/76/563099876.db2.gz XNIZFYLMUVNEOT-MUVIMXQCSA-N 0 0 430.632 7.537 1 0 in-vitro IKAFRN FC(F)(F)c1cccc(-n2cc(-c3ccccc3NCc3ccc4c(c3)OCO4)nn2)c1 ZINC000040393409 563100215 /nfs/dbraw/zinc/10/02/15/563100215.db2.gz WYCUNUZJMVIFBY-UHFFFAOYSA-N 0 0 438.409 5.294 1 0 IKAFRN CSc1ccc(C2=Nn3c(nnc3-c3cc(Cl)cc(Cl)c3Cl)SC2)cc1 ZINC000040393287 563100246 /nfs/dbraw/zinc/10/02/46/563100246.db2.gz RLTJIDRLDPSOLY-UHFFFAOYSA-N 0 0 441.796 5.985 1 0 IKAFRN CSc1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc32)cc1 ZINC000040394416 563100442 /nfs/dbraw/zinc/10/04/42/563100442.db2.gz ZUIVRBGWSQKFOO-UHFFFAOYSA-N 0 0 434.377 6.602 1 0 IKAFRN COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc32)cc1OC ZINC000040394556 563100475 /nfs/dbraw/zinc/10/04/75/563100475.db2.gz WBFRKIQZLMVDSM-UHFFFAOYSA-N 0 0 449.898 5.688 1 0 IKAFRN CCO[P@](=O)(CC)Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 ZINC000040394745 563100527 /nfs/dbraw/zinc/10/05/27/563100527.db2.gz KFGDGDXWTSPQRB-MUUNZHRXSA-N 0 0 428.494 6.084 1 0 IKAFRN Cc1ccc(Nc2cc(-c3ccc(-c4ccccc4)cc3)ncn2)cc1NS(C)(=O)=O ZINC000040394644 563100557 /nfs/dbraw/zinc/10/05/57/563100557.db2.gz JIUIHZIUIIXFBM-UHFFFAOYSA-N 0 0 430.533 5.234 1 0 IKAFRN COc1ccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3Cl)c3ccccc32)cc1 ZINC000040395010 563100625 /nfs/dbraw/zinc/10/06/25/563100625.db2.gz AKKMSLCHWSKDMF-MHZLTWQESA-N 0 0 439.942 6.689 1 0 IKAFRN CCc1c(Cc2c(Cl)cccc2Cl)nc(SCC(=O)c2ccccc2)[nH]c1=O ZINC000040395477 563100810 /nfs/dbraw/zinc/10/08/10/563100810.db2.gz LWZIBUUKAVBJRV-UHFFFAOYSA-N 0 0 433.360 5.205 1 0 IKAFRN O=C(NN1CCCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(F)cc1 ZINC000040404194 563101133 /nfs/dbraw/zinc/10/11/33/563101133.db2.gz RVFBBHHTTRIWCW-UHFFFAOYSA-N 0 0 433.314 5.116 1 0 IKAFRN C[C@]1(C(=O)Nc2nccs2)CC2(Br)c3ccccc3C1c1ccccc12 ZINC000040408063 563101522 /nfs/dbraw/zinc/10/15/22/563101522.db2.gz XZXFENOQESZPMK-SGDIKTSBSA-N 0 0 425.351 5.276 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1ccccc1C(=O)OC ZINC000040410600 563101684 /nfs/dbraw/zinc/10/16/84/563101684.db2.gz GAXYXQSOUSMSGI-QFIPXVFZSA-N 0 0 444.575 6.158 1 0 IKAFRN CC(C)CNC(=O)c1ccc2c(c1)N=C(c1ccc(Cl)s1)c1ccccc1S2 ZINC000040412652 563101828 /nfs/dbraw/zinc/10/18/28/563101828.db2.gz FFERSIIOXZASMF-UHFFFAOYSA-N 0 0 426.994 6.421 1 0 IKAFRN O=C([O-])C[C@@H]1CCn2c3cc[nH+]c(CC4CC4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040412299 563101851 /nfs/dbraw/zinc/10/18/51/563101851.db2.gz ZIQDFMUCLQBQDQ-ZDUSSCGKSA-N 0 0 447.387 6.409 1 0 IKAFRN CC(C)Cc1ccc([C@@H](C)c2nnc3sc(-c4ccc(Cl)cc4Cl)nn32)cc1 ZINC000040421863 563102335 /nfs/dbraw/zinc/10/23/35/563102335.db2.gz WYAFRUSXLQYNMU-CYBMUJFWSA-N 0 0 431.392 6.510 1 0 IKAFRN CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3ccc(Br)cc3)cc1OC2(C)C ZINC000040422937 563102464 /nfs/dbraw/zinc/10/24/64/563102464.db2.gz DABMUZCRXIBQMU-WOJBJXKFSA-N 0 0 441.409 7.092 1 0 IKAFRN Clc1cc2[nH]cc(-c3c[nH]cc3-c3c[nH]c4cc(Cl)c(Cl)cc34)c2cc1Cl ZINC000040422726 563102493 /nfs/dbraw/zinc/10/24/93/563102493.db2.gz BMSRAYDJPZCVMP-UHFFFAOYSA-N 0 0 435.141 7.925 1 0 IKAFRN Cc1ncsc1C(=O)N(Cc1cncc2c(F)c(F)ccc12)c1cccc(Cl)c1 ZINC000040422640 563102500 /nfs/dbraw/zinc/10/25/00/563102500.db2.gz RPRFXNFGCRVVSZ-UHFFFAOYSA-N 0 0 429.879 5.778 1 0 IKAFRN Cc1cccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)c1 ZINC000040423027 563102541 /nfs/dbraw/zinc/10/25/41/563102541.db2.gz NMKTWNDCAXQSHD-UHFFFAOYSA-N 0 0 429.455 5.369 1 0 IKAFRN CN(C(=O)Cc1c(-c2ccc(O)cc2)nc2c(Cl)cc(Cl)cn12)c1ccccc1 ZINC000040423760 563102824 /nfs/dbraw/zinc/10/28/24/563102824.db2.gz VCWCTWCTLHIDMW-UHFFFAOYSA-N 0 0 426.303 5.219 1 0 IKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)c(C)c21 ZINC000040424740 563102951 /nfs/dbraw/zinc/10/29/51/563102951.db2.gz RCKKPNPBNOFPPC-UHFFFAOYSA-N 0 0 441.015 5.852 1 0 IKAFRN CN(CCCc1nc(-c2ccc(F)cc2Cl)no1)c1ccc2ncc(Cl)cc2c1 ZINC000040425218 563103050 /nfs/dbraw/zinc/10/30/50/563103050.db2.gz UGLDNKJYOYMGST-UHFFFAOYSA-N 0 0 431.298 5.800 1 0 IKAFRN C/C=C1\CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1Cc1nccc2c3cc(O)ccc3[nH]c21 ZINC000040428673 563103071 /nfs/dbraw/zinc/10/30/71/563103071.db2.gz UXVNNVWPICKMTE-WRLCUUPGSA-N 0 0 448.570 6.011 1 0 IKAFRN CCn1c2ccccc2c2cc(NC(=O)CCc3cc(-c4ccccc4F)n(C)n3)ccc21 ZINC000040429098 563103140 /nfs/dbraw/zinc/10/31/40/563103140.db2.gz LSBISTWCTQSLSJ-UHFFFAOYSA-N 0 0 440.522 5.925 1 0 IKAFRN Cn1c(-c2ccc(-c3cccnc3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1 ZINC000040430308 563103357 /nfs/dbraw/zinc/10/33/57/563103357.db2.gz RAQAZKICFNGDBP-UHFFFAOYSA-N 0 0 435.358 6.321 1 0 IKAFRN CCOC(=N)CCNc1cc(OC)c(Oc2cccc(C(F)(F)F)c2)c2c(C)ccnc12 ZINC000040430439 563103477 /nfs/dbraw/zinc/10/34/77/563103477.db2.gz JBRYXBWUMOKFOG-UHFFFAOYSA-N 0 0 447.457 6.179 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)OCc1ccccc1 ZINC000040431251 563103570 /nfs/dbraw/zinc/10/35/70/563103570.db2.gz QFZPEVVEVPCUQT-JYPYDPOKSA-N 0 0 448.672 8.555 1 0 IKAFRN Cc1n[nH]c(C)c1CN1CCN(c2cccc3[nH]c(-c4ccc(C(C)(C)C)cc4)nc32)CC1 ZINC000040431310 563103577 /nfs/dbraw/zinc/10/35/77/563103577.db2.gz OFWHRQNGRLGROR-UHFFFAOYSA-N 0 0 442.611 5.190 1 0 IKAFRN CC(=O)[C@@]12O[C@](C)(c3ccco3)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000040465183 563103892 /nfs/dbraw/zinc/10/38/92/563103892.db2.gz PDWGBWJIJZYLQQ-BAPRENQFSA-N 0 0 438.564 5.337 1 0 IKAFRN CC(=O)[C@@]12O[C@](C)(c3ccco3)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000040476930 563104025 /nfs/dbraw/zinc/10/40/25/563104025.db2.gz PDWGBWJIJZYLQQ-WVCPVSGNSA-N 0 0 438.564 5.337 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@@H]2[C@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000040514431 563104328 /nfs/dbraw/zinc/10/43/28/563104328.db2.gz IVUIXSSVHYSIAB-KFWRJEQMSA-N 0 0 430.717 6.996 1 0 IKAFRN CCCCN1C(c2ccccc2)N(CCCC)[C@@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 ZINC000040520404 563104421 /nfs/dbraw/zinc/10/44/21/563104421.db2.gz PYMPKYLGHWDDAD-NSOVKSMOSA-N 0 0 444.619 6.797 1 0 IKAFRN Cc1ccccc1NC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000040554490 563104479 /nfs/dbraw/zinc/10/44/79/563104479.db2.gz ODLNQTRNCUEWGN-HSZRJFAPSA-N 0 0 448.954 5.771 1 0 IKAFRN CCC1(O)[C@H](O)CC(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H]1O ZINC000040527547 563104499 /nfs/dbraw/zinc/10/44/99/563104499.db2.gz FHLUCRRNGVOENA-CHNWBJTISA-N 0 0 448.688 5.290 1 0 IKAFRN COC(=O)c1cc(-c2ccc(N(C)C)cc2)c2n1CCc1cc(OC(C)C)c(OC)cc1-2 ZINC000040565635 563104864 /nfs/dbraw/zinc/10/48/64/563104864.db2.gz SEXXMTHDWIBQEB-UHFFFAOYSA-N 0 0 434.536 5.027 1 0 IKAFRN COc1cc(/C=C\Cc2cc3sc(-c4ccccc4)cc3c(O)c2)cc(OC)c1OC ZINC000040565486 563104869 /nfs/dbraw/zinc/10/48/69/563104869.db2.gz VSJSGPGUQAILOZ-CLFYSBASSA-N 0 0 432.541 6.556 1 0 IKAFRN CCn1c(Nc2cccc(Cl)c2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 ZINC000040567380 563105052 /nfs/dbraw/zinc/10/50/52/563105052.db2.gz ITEHHCXWBYGSPT-UHFFFAOYSA-N 0 0 436.249 5.967 1 0 IKAFRN C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(=CCO)[C@H](O)C3)CCC[C@@]21C ZINC000040585226 563105442 /nfs/dbraw/zinc/10/54/42/563105442.db2.gz YNIUCOAOVZEMHY-HBQNESJWSA-N 0 0 446.672 5.067 1 0 IKAFRN C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(=CCF)[C@H](O)C3)CCC[C@@]21C ZINC000040585216 563105463 /nfs/dbraw/zinc/10/54/63/563105463.db2.gz NPQPAYRGQQTLEO-PUEBYCTLSA-N 0 0 448.663 6.044 1 0 IKAFRN C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(=CCO)[C@H](O)C3)CCC[C@@]21C ZINC000040585239 563105474 /nfs/dbraw/zinc/10/54/74/563105474.db2.gz YNIUCOAOVZEMHY-PUEBYCTLSA-N 0 0 446.672 5.067 1 0 IKAFRN CCC1(O)[C@H](O)CC(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)(C)O)C[C@H]1O ZINC000040747294 563106173 /nfs/dbraw/zinc/10/61/73/563106173.db2.gz FHLUCRRNGVOENA-BSSSKTBQSA-N 0 0 448.688 5.290 1 0 IKAFRN CCn1c(Nc2c(Cl)cccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 ZINC000040762530 563106321 /nfs/dbraw/zinc/10/63/21/563106321.db2.gz ITNVIICTIUQADS-UHFFFAOYSA-N 0 0 436.249 5.967 1 0 IKAFRN O=C1c2ccccc2NC(=O)[C@H]2[C@H]1[C@@H](c1ccccc1)C[C@]2(O)c1ccc2ccccc2c1 ZINC000040762721 563106344 /nfs/dbraw/zinc/10/63/44/563106344.db2.gz URZVQQMMBRCABD-TXGFFYAOSA-N 0 0 433.507 5.282 1 0 IKAFRN COc1cc2c(cc1OC)Oc1nc(C)nc(Nc3cccc(Br)c3)c1NC2 ZINC000040764011 563106502 /nfs/dbraw/zinc/10/65/02/563106502.db2.gz VUOPBLYHZDIYFG-UHFFFAOYSA-N 0 0 443.301 5.026 1 0 IKAFRN O=c1c2ccccc2c(Cc2ccccc2Cl)nn1-c1ccc(Br)cc1 ZINC000040763983 563106515 /nfs/dbraw/zinc/10/65/15/563106515.db2.gz XPTXBQJJMDNWIF-UHFFFAOYSA-N 0 0 425.713 5.392 1 0 IKAFRN CCSC(=S)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000040835543 563107270 /nfs/dbraw/zinc/10/72/70/563107270.db2.gz VAQCHLOIYHPFNM-UHFFFAOYSA-N 0 0 446.040 5.095 1 0 IKAFRN O=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 ZINC000040836237 563107279 /nfs/dbraw/zinc/10/72/79/563107279.db2.gz GCHJLHIBGBKBIA-UHFFFAOYSA-N 0 0 435.694 6.401 1 0 IKAFRN CCOc1ccc(Cc2nc3cc(C(=O)N(C)C4CCCCC4)ccc3n2CC2CC2)cc1 ZINC000040846212 563107436 /nfs/dbraw/zinc/10/74/36/563107436.db2.gz WCXIQMXHYGYQBH-UHFFFAOYSA-N 0 0 445.607 5.841 1 0 IKAFRN CCOC(=O)c1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1Nc1ccc(OC)cc1 ZINC000040846333 563107451 /nfs/dbraw/zinc/10/74/51/563107451.db2.gz YUJHLPMOYQANND-UHFFFAOYSA-N 0 0 442.490 6.484 1 0 IKAFRN Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)Nc1ccccc1 ZINC000040862540 563108356 /nfs/dbraw/zinc/10/83/56/563108356.db2.gz CYQGGEIFCSVNDW-UHFFFAOYSA-N 0 0 445.910 5.287 1 0 IKAFRN COc1cc2cc(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)oc2cc1OCc1ccccc1 ZINC000040863650 563108483 /nfs/dbraw/zinc/10/84/83/563108483.db2.gz NGHKSALYCWEJLP-JAIQZWGSSA-N 0 0 445.496 6.055 1 0 IKAFRN COc1cc(O)c(C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C2=CCCCC2(C)C)c(O)c1 ZINC000040863686 563108550 /nfs/dbraw/zinc/10/85/50/563108550.db2.gz XJIFQBLTDAHVDV-KQQMVCADSA-N 0 0 438.564 6.405 1 0 IKAFRN CC(C)CC(=O)Nc1cc(-c2ccnc3c(C(=O)c4cccs4)cnn32)ccc1Cl ZINC000040865098 563108638 /nfs/dbraw/zinc/10/86/38/563108638.db2.gz KODBIYPHZVANAT-UHFFFAOYSA-N 0 0 438.940 5.327 1 0 IKAFRN COC1=C(C)C(=O)O/C1=C\[C@H](C)CCC/C(C)=C/CC/C(C)=C/CCC1=CC(=O)OC1O ZINC000040872562 563109011 /nfs/dbraw/zinc/10/90/11/563109011.db2.gz DDTMQYOTHOOUKC-JGSQMBJMSA-N 0 0 444.568 5.409 1 0 IKAFRN O=C(NCC1CCCC1)c1cnc(Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000040872732 563109030 /nfs/dbraw/zinc/10/90/30/563109030.db2.gz OROCWHONKKAXSM-UHFFFAOYSA-N 0 0 432.273 6.071 1 0 IKAFRN CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CCC(=O)[C@@]5(C)O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000040873310 563109100 /nfs/dbraw/zinc/10/91/00/563109100.db2.gz VDDQBWVPLYWMBF-VAKVGTBTSA-N 0 0 442.728 7.572 1 0 IKAFRN COc1oc(C/C=C(\C)CC/C=C(/C)C/C(C)=C/Cc2ccccc2)c(C)c(=O)c1OC ZINC000040873164 563109110 /nfs/dbraw/zinc/10/91/10/563109110.db2.gz YVIWNCQQXZJAHK-DXYHPHEZSA-N 0 0 436.592 6.760 1 0 IKAFRN COc1cc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc3n[nH]c(C)c32)cc(OC)c1OC ZINC000040874784 563109345 /nfs/dbraw/zinc/10/93/45/563109345.db2.gz CTAQWQHGRINFPU-UHFFFAOYSA-N 0 0 444.318 5.933 1 0 IKAFRN Oc1cc(O)cc(CCCCCCC/C=C\CCCCCCCc2cc(O)cc(O)c2)c1 ZINC000040874824 563109355 /nfs/dbraw/zinc/10/93/55/563109355.db2.gz ODGCEQWGAFQNAU-UPHRSURJSA-N 0 0 440.624 7.532 1 0 IKAFRN CC(=O)c1ccc(NC(=O)Nc2ccc3nc(C)cc(NC(=O)c4ccco4)c3c2)cc1 ZINC000040874391 563109359 /nfs/dbraw/zinc/10/93/59/563109359.db2.gz MTYQYZBYTVHOFH-UHFFFAOYSA-N 0 0 428.448 5.235 1 0 IKAFRN Cc1cc(NC(=O)c2ccccc2)c2cc(NC(=O)Nc3ccc(C)c(Cl)c3)ccc2n1 ZINC000040877854 563109547 /nfs/dbraw/zinc/10/95/47/563109547.db2.gz BVEVAHSYAGUADY-UHFFFAOYSA-N 0 0 444.922 6.401 1 0 IKAFRN CC(C)(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000040878159 563109553 /nfs/dbraw/zinc/10/95/53/563109553.db2.gz ASGIXSFRPRVPNC-UHFFFAOYSA-N 0 0 440.270 5.203 1 0 IKAFRN CCCCCCn1cnc2cc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc21 ZINC000040878501 563109615 /nfs/dbraw/zinc/10/96/15/563109615.db2.gz WXMHVSIFCXNEJX-UHFFFAOYSA-N 0 0 427.614 5.960 1 0 IKAFRN Cc1cc(NC(=O)c2ccccc2)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2n1 ZINC000040878632 563109700 /nfs/dbraw/zinc/10/97/00/563109700.db2.gz YHVFAYXIKUOTDK-UHFFFAOYSA-N 0 0 430.895 6.093 1 0 IKAFRN Cc1c(=O)[nH]c(SCC(=O)c2ccc(F)cc2)nc1Cc1c(Cl)cccc1Cl ZINC000040880577 563109739 /nfs/dbraw/zinc/10/97/39/563109739.db2.gz HWIFQRALGVDPLS-UHFFFAOYSA-N 0 0 437.323 5.090 1 0 IKAFRN O=C(NCCc1ccc(OCc2ccccc2)cc1)[C@@H](O)CCC12CC3CC(CC(C3)C1)C2 ZINC000040892563 563110071 /nfs/dbraw/zinc/11/00/71/563110071.db2.gz VJIVWPKGAIMUEM-GADZNUIXSA-N 0 0 447.619 5.282 1 0 IKAFRN O=c1c2ccccc2nc(/C=C/c2ccncc2)n1-c1nnc(-c2ccc(Cl)cc2)s1 ZINC000040894225 563110224 /nfs/dbraw/zinc/11/02/24/563110224.db2.gz RBGCSVHGNZCATK-BJMVGYQFSA-N 0 0 443.919 5.123 1 0 IKAFRN CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCCC2)cc1 ZINC000040894650 563110311 /nfs/dbraw/zinc/11/03/11/563110311.db2.gz PBYWRLYMVUMIFF-UHFFFAOYSA-N 0 0 433.596 5.698 1 0 IKAFRN O=C(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(OCc2ccccc2)cc1 ZINC000040896285 563110471 /nfs/dbraw/zinc/11/04/71/563110471.db2.gz UJKZDLWTTGZNAO-UHFFFAOYSA-N 0 0 445.603 5.490 1 0 IKAFRN COc1ccc(-c2c(C(=O)NC3CCCCC3)cnn2-c2ccc(Cl)cc2Cl)cc1 ZINC000040897420 563110557 /nfs/dbraw/zinc/11/05/57/563110557.db2.gz BSZUTDBDEMBHNY-UHFFFAOYSA-N 0 0 444.362 5.917 1 0 IKAFRN COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)n1ccc2ccccc21 ZINC000040900815 563111010 /nfs/dbraw/zinc/11/10/10/563111010.db2.gz PBRBZXPUQSWKJE-XMMPIXPASA-N 0 0 443.344 6.598 1 0 IKAFRN CCc1c(Cc2ccc(-c3ccccc3)cc2)nc(SCc2ccc(OC)cc2)[nH]c1=O ZINC000040914618 563111257 /nfs/dbraw/zinc/11/12/57/563111257.db2.gz HBSSTGZVFXLJET-UHFFFAOYSA-N 0 0 442.584 5.891 1 0 IKAFRN COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3C)c2cc1OC ZINC000040915085 563111265 /nfs/dbraw/zinc/11/12/65/563111265.db2.gz ILOAUSWXRCKWFH-UHFFFAOYSA-N 0 0 428.517 5.976 1 0 IKAFRN O=C1Nc2cc(Cl)ccc2/C1=C\c1cccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)n1 ZINC000040917778 563111561 /nfs/dbraw/zinc/11/15/61/563111561.db2.gz SWZVQOZLYQIHGR-XOBNHNQQSA-N 0 0 434.282 5.374 1 0 IKAFRN Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)Nc1cccnc1 ZINC000040917678 563111589 /nfs/dbraw/zinc/11/15/89/563111589.db2.gz JXHSZSYJVKFKDE-UHFFFAOYSA-N 0 0 433.817 5.567 1 0 IKAFRN CCCCOc1nc2c(ncn2Cc2c(F)ccc(C)c2F)c(NCc2ccccc2)n1 ZINC000040917722 563111594 /nfs/dbraw/zinc/11/15/94/563111594.db2.gz ZOVRFNZKGPBGLC-UHFFFAOYSA-N 0 0 437.494 5.252 1 0 IKAFRN CN(C)c1cc(O)cc(OCCCCOc2cc(O)cc(N(C)Cc3ccccc3)c2)c1 ZINC000040918234 563111782 /nfs/dbraw/zinc/11/17/82/563111782.db2.gz KFYQCQOUSPMHHV-UHFFFAOYSA-N 0 0 436.552 5.038 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Oc1ccccc1CCO ZINC000040919193 563112120 /nfs/dbraw/zinc/11/21/20/563112120.db2.gz GCOMQRDQIHGQQF-RUZDIDTESA-N 0 0 431.576 5.873 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1ccc(OC)cc1C ZINC000040919211 563112147 /nfs/dbraw/zinc/11/21/47/563112147.db2.gz PFTUGVBKBQEBBR-HSZRJFAPSA-N 0 0 430.592 6.689 1 0 IKAFRN O=C(c1ccc(-c2ncccc2C(F)(F)F)cc1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000040934064 563112300 /nfs/dbraw/zinc/11/23/00/563112300.db2.gz RRCKWKQIWXVACQ-NRFANRHFSA-N 0 0 440.465 5.589 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1ccccc1CCO ZINC000040933741 563112301 /nfs/dbraw/zinc/11/23/01/563112301.db2.gz NUFSJKMTMVJHNU-HSZRJFAPSA-N 0 0 430.592 5.906 1 0 IKAFRN CCc1c(-c2nnc(C(C)(C)C)o2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1 ZINC000040933793 563112316 /nfs/dbraw/zinc/11/23/16/563112316.db2.gz OISXCSVVXWTAMR-UHFFFAOYSA-N 0 0 441.362 6.756 1 0 IKAFRN CSc1nc(-c2ccnc(NCc3ccccc3)c2)c(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000040934181 563112374 /nfs/dbraw/zinc/11/23/74/563112374.db2.gz ATAHCXJCJNXPJX-UHFFFAOYSA-N 0 0 440.494 6.492 1 0 IKAFRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000040934583 563112459 /nfs/dbraw/zinc/11/24/59/563112459.db2.gz LJJLFLNKMQSUFO-VSDIUSONSA-N 0 0 444.744 7.650 1 0 IKAFRN CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000040934581 563112489 /nfs/dbraw/zinc/11/24/89/563112489.db2.gz LJJLFLNKMQSUFO-DJKCEGFASA-N 0 0 444.744 7.650 1 0 IKAFRN O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000040936033 563112734 /nfs/dbraw/zinc/11/27/34/563112734.db2.gz OGBMWKQQWRTZMB-UHFFFAOYSA-N 0 0 448.272 5.307 1 0 IKAFRN O=C([O-])C[C@@H]1CCCn2c3cc[nH+]c(C4CC4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040937564 563113084 /nfs/dbraw/zinc/11/30/84/563113084.db2.gz MXTAFTXCFGYNEF-ZDUSSCGKSA-N 0 0 447.387 6.724 1 0 IKAFRN CC[C@H]1CCc2c(-c3cccc(OC(F)(F)F)c3)cccc2N1C[C@H](O)C(F)(F)F ZINC000040939059 563113273 /nfs/dbraw/zinc/11/32/73/563113273.db2.gz RYWWJZKJVQCGBW-LIRRHRJNSA-N 0 0 433.392 5.707 1 0 IKAFRN Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1 ZINC000040939637 563113292 /nfs/dbraw/zinc/11/32/92/563113292.db2.gz YNLBCLWXRMLENX-UHFFFAOYSA-N 0 0 443.454 5.279 1 0 IKAFRN O=C(OCc1ccccc1)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21 ZINC000040940046 563113414 /nfs/dbraw/zinc/11/34/14/563113414.db2.gz OBLLWGCKOXTNJY-UHFFFAOYSA-N 0 0 441.914 6.628 1 0 IKAFRN O=C(CSc1snnc1-c1ccc(Cl)cc1Cl)Nc1ccccc1Cl ZINC000040939962 563113454 /nfs/dbraw/zinc/11/34/54/563113454.db2.gz IOUNGFDUDUBFGX-UHFFFAOYSA-N 0 0 430.769 5.896 1 0 IKAFRN CC(C)c1[nH+]ccc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CC[C@H]1CC(=O)[O-] ZINC000040943006 563113545 /nfs/dbraw/zinc/11/35/45/563113545.db2.gz TVWCZWHZDBNWDN-ZDUSSCGKSA-N 0 0 434.483 6.292 1 0 IKAFRN CC(C)c1ccc(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)cc1 ZINC000040943233 563113576 /nfs/dbraw/zinc/11/35/76/563113576.db2.gz IJAZLOUNFWIDOY-UHFFFAOYSA-N 0 0 431.463 5.887 1 0 IKAFRN O=C(Nc1cccc(F)c1)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1 ZINC000040949331 563113679 /nfs/dbraw/zinc/11/36/79/563113679.db2.gz YUPVGFDKYPJXTL-UHFFFAOYSA-N 0 0 433.418 5.200 1 0 IKAFRN CCCCN(CCCC)C(=O)C(=O)c1c2ccccc2[nH]c1-c1ccc(C(F)(F)F)cc1 ZINC000040949965 563113789 /nfs/dbraw/zinc/11/37/89/563113789.db2.gz MYIVZLOUKISVMM-UHFFFAOYSA-N 0 0 444.497 6.465 1 0 IKAFRN FC(F)(F)c1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc43)cc2)cc1 ZINC000040951012 563113878 /nfs/dbraw/zinc/11/38/78/563113878.db2.gz BWURVMSADXYTFO-UHFFFAOYSA-N 0 0 439.422 5.955 1 0 IKAFRN O=c1[nH]c(=S)[nH]c(-c2ccc(Br)cc2)c1Cc1c(O)ccc2ccccc21 ZINC000040951647 563114014 /nfs/dbraw/zinc/11/40/14/563114014.db2.gz HWHNRRGQEQLDQM-UHFFFAOYSA-N 0 0 439.334 5.312 1 0 IKAFRN CCOC(=O)c1ccc(COc2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)o1 ZINC000040951984 563114111 /nfs/dbraw/zinc/11/41/11/563114111.db2.gz BMEQRPWZWCPGPB-UHFFFAOYSA-N 0 0 433.304 5.621 1 0 IKAFRN CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1cc(Cl)ccc1N2c1ccc(C)cc1 ZINC000040952646 563114206 /nfs/dbraw/zinc/11/42/06/563114206.db2.gz BKFRGUNEKSZTMB-UHFFFAOYSA-N 0 0 448.953 5.085 1 0 IKAFRN COC(=O)c1ccc(NCc2cncn2Cc2cccc(OC)c2)cc1-c1ccccc1 ZINC000040953378 563114300 /nfs/dbraw/zinc/11/43/00/563114300.db2.gz YXLJRVMPRODJSK-UHFFFAOYSA-N 0 0 427.504 5.006 1 0 IKAFRN CC(C)Nc1noc2c1ccc(Cl)c2-c1ccc2c(cnnc2N2CCOC[C@@H]2C)c1 ZINC000040956441 563114773 /nfs/dbraw/zinc/11/47/73/563114773.db2.gz FLEVSYIGMCAFBK-AWEZNQCLSA-N 0 0 437.931 5.137 1 0 IKAFRN CCCCc1ccc(-c2ccc3c4c([nH]c3c2F)-c2ccc(NC(=O)CO)cc2C4)cc1 ZINC000040974132 563115112 /nfs/dbraw/zinc/11/51/12/563115112.db2.gz NPXHXGHTORXFMV-UHFFFAOYSA-N 0 0 428.507 5.819 1 0 IKAFRN COc1cc(NCc2c[nH]cn2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000040974314 563115145 /nfs/dbraw/zinc/11/51/45/563115145.db2.gz AICBJENREFPANR-UHFFFAOYSA-N 0 0 428.414 5.698 1 0 IKAFRN O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccccc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 ZINC000040975276 563115202 /nfs/dbraw/zinc/11/52/02/563115202.db2.gz NFJNEAWIKVVIPO-LJQANCHMSA-N 0 0 449.539 5.522 1 0 IKAFRN COc1cc(NCc2cccs2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000040976067 563115384 /nfs/dbraw/zinc/11/53/84/563115384.db2.gz NPZXZQJAQCWRKY-UHFFFAOYSA-N 0 0 444.478 7.037 1 0 IKAFRN CCn1c2ccccc2c2cc(NC(=O)CCc3cc(-c4ccccc4F)n[nH]3)ccc21 ZINC000040976029 563115386 /nfs/dbraw/zinc/11/53/86/563115386.db2.gz AINAOCGEWHJMQA-UHFFFAOYSA-N 0 0 426.495 5.915 1 0 IKAFRN COc1ccc(Br)cc1/C=C1\Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000040976580 563115403 /nfs/dbraw/zinc/11/54/03/563115403.db2.gz AHXGOHQFKZZDST-CHHVJCJISA-N 0 0 430.245 5.562 1 0 IKAFRN CC(C)COc1cc(-c2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3ccccc3)cc2)ccc1C(=O)[O-] ZINC000040980544 563115573 /nfs/dbraw/zinc/11/55/73/563115573.db2.gz KLZGQNPTJAAVJS-IBVKSMDESA-N 0 0 447.575 5.341 1 0 IKAFRN Cc1ccc(NC(=O)NCc2cccc(Cl)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000042190875 563115681 /nfs/dbraw/zinc/11/56/81/563115681.db2.gz ROFRUHKNTPJICR-UHFFFAOYSA-N 0 0 444.926 5.566 1 0 IKAFRN CSc1ccc(Cc2nnc3sc(-c4cc(F)c(Cl)cc4Cl)nn23)cc1 ZINC000042889908 563115984 /nfs/dbraw/zinc/11/59/84/563115984.db2.gz QTCQPIPIHYRRNT-UHFFFAOYSA-N 0 0 425.341 5.611 1 0 IKAFRN COC(=O)c1ccc2c(c1)nc(-c1ccc(C(C)(C)C)cc1)n2CCc1ccc(OC)cc1 ZINC000043010061 563116481 /nfs/dbraw/zinc/11/64/81/563116481.db2.gz WQDVXAWGEOGEPC-UHFFFAOYSA-N 0 0 442.559 6.039 1 0 IKAFRN C[C@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(OC(F)(F)F)cc2Cl)c1=O ZINC000043013203 563116634 /nfs/dbraw/zinc/11/66/34/563116634.db2.gz YDWBDNCGHKINMY-SSDOTTSWSA-N 0 0 442.652 5.817 1 0 IKAFRN C[C@H](Cc1ccccc1)n1c(=O)c2c(ccnc2C(F)(F)F)nc1-c1ccccc1Cl ZINC000043014932 563116739 /nfs/dbraw/zinc/11/67/39/563116739.db2.gz JBUFVGLPGSSWRF-CQSZACIVSA-N 0 0 443.856 5.934 1 0 IKAFRN c1ccc2cc3c(cc2c1)/N=C/c1ccccc1/C=N/c1cc2ccccc2cc1OCCO3 ZINC000043023647 563117349 /nfs/dbraw/zinc/11/73/49/563117349.db2.gz QJKDPQDKQBPKTD-GKTLAHRSSA-N 0 0 442.518 7.265 1 0 IKAFRN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000043074647 563118222 /nfs/dbraw/zinc/11/82/22/563118222.db2.gz UGDZGCTWWFCKFQ-XMMPIXPASA-N 0 0 449.348 5.726 1 0 IKAFRN O=C(CSc1nccn1-c1cccc2ccccc21)Nc1ccccc1Br ZINC000043074633 563118243 /nfs/dbraw/zinc/11/82/43/563118243.db2.gz ALGAPIRVUZCFLU-UHFFFAOYSA-N 0 0 438.350 5.519 1 0 IKAFRN Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3F)ccc2OC(=O)c2ccccc2)cc1 ZINC000043079437 563118460 /nfs/dbraw/zinc/11/84/60/563118460.db2.gz CEZJNJHWFYHFOS-UHFFFAOYSA-N 0 0 443.449 6.412 1 0 IKAFRN O=c1c2c(ccnc2C(F)(F)F)nc(-c2ccccc2Cl)n1CCc1ccccc1 ZINC000043118500 563118634 /nfs/dbraw/zinc/11/86/34/563118634.db2.gz REGORNYVZPXLPK-UHFFFAOYSA-N 0 0 429.829 5.373 1 0 IKAFRN Cc1cc(-c2scnc2Cl)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 ZINC000043121079 563118932 /nfs/dbraw/zinc/11/89/32/563118932.db2.gz FRQHUDHMMOFJGT-UHFFFAOYSA-N 0 0 436.751 6.601 1 0 IKAFRN O=C(NCc1ccccc1)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1 ZINC000043123501 563119084 /nfs/dbraw/zinc/11/90/84/563119084.db2.gz JZDXMQWIUAXJCY-UHFFFAOYSA-N 0 0 443.449 5.781 1 0 IKAFRN C[C@@H]1c2c[nH]nc2-c2cc(Cl)sc2N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000043176063 563119150 /nfs/dbraw/zinc/11/91/50/563119150.db2.gz JSAGQJSPFXXMGL-MRVPVSSYSA-N 0 0 433.864 5.080 1 0 IKAFRN COc1cc(-c2[nH]nc3c2CCCN3[C@@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000043205365 563119505 /nfs/dbraw/zinc/11/95/05/563119505.db2.gz WQCGJXHVPJUJEO-KRWDZBQOSA-N 0 0 431.515 5.232 1 0 IKAFRN COc1cc(-c2[nH]nc3c2CCCN3[C@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000043205366 563119514 /nfs/dbraw/zinc/11/95/14/563119514.db2.gz WQCGJXHVPJUJEO-QGZVFWFLSA-N 0 0 431.515 5.232 1 0 IKAFRN COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCC[C@H]3C)c(C(F)(F)F)c2)n1 ZINC000043204051 563119531 /nfs/dbraw/zinc/11/95/31/563119531.db2.gz KLKXOTGOHLLMNT-CYBMUJFWSA-N 0 0 435.421 5.949 1 0 IKAFRN CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000043617491 563121014 /nfs/dbraw/zinc/12/10/14/563121014.db2.gz SMGVSNRVGURTQV-ZLZOMJGSSA-N 0 0 446.716 5.966 1 0 IKAFRN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 ZINC000045187848 563122988 /nfs/dbraw/zinc/12/29/88/563122988.db2.gz FPACHUNFHLBRSN-IERDGZPVSA-N 0 0 431.561 5.334 1 0 IKAFRN COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccc3ccccc3c2)cc1 ZINC000045189597 563123299 /nfs/dbraw/zinc/12/32/99/563123299.db2.gz BOUHLEBIRIINQP-NDEPHWFRSA-N 0 0 436.555 5.092 1 0 IKAFRN Cc1nnsc1C(=O)Nc1cccc(-c2ccc(-c3nc4c(cccc4C)[nH]3)s2)c1 ZINC000045189953 563123372 /nfs/dbraw/zinc/12/33/72/563123372.db2.gz FQNPBDHARBCTTK-UHFFFAOYSA-N 0 0 431.546 5.679 1 0 IKAFRN O=C1OC(c2ccccc2)(c2ccccc2)CN1[C@@H]1CCN(Cc2ccc(O)c(Cl)c2)C1 ZINC000045191269 563123708 /nfs/dbraw/zinc/12/37/08/563123708.db2.gz HGWPFRWLXBEFLE-JOCHJYFZSA-N 0 0 448.950 5.016 1 0 IKAFRN O=C1OC(c2ccccc2)(c2ccccc2)CN1[C@H]1CCN(Cc2ccc(O)c(Cl)c2)C1 ZINC000045191272 563123765 /nfs/dbraw/zinc/12/37/65/563123765.db2.gz HGWPFRWLXBEFLE-QFIPXVFZSA-N 0 0 448.950 5.016 1 0 IKAFRN C[C@H](O)[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1 ZINC000045192128 563123810 /nfs/dbraw/zinc/12/38/10/563123810.db2.gz JGHVPLNFANBFMV-HRAATJIYSA-N 0 0 431.561 5.334 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)Cc5ccc[n+]([O-])c5)c4)c3)nc21 ZINC000045192361 563123822 /nfs/dbraw/zinc/12/38/22/563123822.db2.gz OLHMSCUKFKKZHV-UHFFFAOYSA-N 0 0 434.499 5.020 1 0 IKAFRN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1 ZINC000045192124 563123872 /nfs/dbraw/zinc/12/38/72/563123872.db2.gz JGHVPLNFANBFMV-IERDGZPVSA-N 0 0 431.561 5.334 1 0 IKAFRN O=C(Nc1ccc(O[C@@H]2CCN(Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccsc1 ZINC000045192770 563123906 /nfs/dbraw/zinc/12/39/06/563123906.db2.gz FHOASBLKLJXKLL-LJQANCHMSA-N 0 0 430.932 5.446 1 0 IKAFRN O=C(Nc1ccc(O[C@H]2CCN(Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccsc1 ZINC000045192766 563123939 /nfs/dbraw/zinc/12/39/39/563123939.db2.gz FHOASBLKLJXKLL-IBGZPJMESA-N 0 0 430.932 5.446 1 0 IKAFRN Cc1nnsc1C(=O)Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1 ZINC000045194494 563124201 /nfs/dbraw/zinc/12/42/01/563124201.db2.gz JOUDTNVEXHSRDS-UHFFFAOYSA-N 0 0 435.509 5.510 1 0 IKAFRN CN1CCN(c2nsc3ccc(-c4ccc(NC(=O)Nc5ccccc5)cc4)cc32)CC1 ZINC000045201875 563124854 /nfs/dbraw/zinc/12/48/54/563124854.db2.gz UWLWPNVOLNOLCA-UHFFFAOYSA-N 0 0 443.576 5.359 1 0 IKAFRN COc1ccc(O)c(C(=O)NCCc2ccc(OC)c(-c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000045210956 563125298 /nfs/dbraw/zinc/12/52/98/563125298.db2.gz XFAGKDOXVYECFI-UHFFFAOYSA-N 0 0 433.548 5.346 1 0 IKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000045226926 563125439 /nfs/dbraw/zinc/12/54/39/563125439.db2.gz QOAMUZZNCVGFBN-MRXNPFEDSA-N 0 0 434.849 5.307 1 0 IKAFRN CC(=O)Nc1ccc(OCCCCCOc2ccc(NC(C)=O)cc2Cl)c(Cl)c1 ZINC000045227145 563125497 /nfs/dbraw/zinc/12/54/97/563125497.db2.gz RZQQDQUGPXMMDD-UHFFFAOYSA-N 0 0 439.339 5.538 1 0 IKAFRN COc1cc2nc(N(C)C)nc(Nc3ccc(OCc4ccccc4)cc3)c2cc1OC ZINC000045228983 563125816 /nfs/dbraw/zinc/12/58/16/563125816.db2.gz SLTKDKYTHBTNDN-UHFFFAOYSA-N 0 0 430.508 5.036 1 0 IKAFRN O=C(Nc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1)c1c[nH]cn1 ZINC000045229939 563125924 /nfs/dbraw/zinc/12/59/24/563125924.db2.gz SMXUIJFESDMTDC-UHFFFAOYSA-N 0 0 447.420 5.891 1 0 IKAFRN COC1CCC(C(=O)Nc2ccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)cc2)CC1 ZINC000045230033 563126147 /nfs/dbraw/zinc/12/61/47/563126147.db2.gz UEGBAMOTFKZKQF-UHFFFAOYSA-N 0 0 439.559 6.349 1 0 IKAFRN Cc1cc2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccccc4)c3)nc2cc1C ZINC000045245049 563126297 /nfs/dbraw/zinc/12/62/97/563126297.db2.gz BECHDJHGYHTPMR-UHFFFAOYSA-N 0 0 434.518 6.727 1 0 IKAFRN CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)C1c1nc2cccc(Cl)c2n1C ZINC000045245126 563126393 /nfs/dbraw/zinc/12/63/93/563126393.db2.gz LVTFUDVKPXBROB-LJQANCHMSA-N 0 0 444.753 6.176 1 0 IKAFRN O=C(NC[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(-c3ccccc3)cc21)c1ccc(F)cc1 ZINC000045245279 563126476 /nfs/dbraw/zinc/12/64/76/563126476.db2.gz DMQCTPMXNCRRFN-JOCHJYFZSA-N 0 0 444.384 5.242 1 0 IKAFRN O=C(NC[C@]1(C(F)(F)F)OC(=O)Nc2ccc(-c3ccccc3)cc21)c1ccc(F)cc1 ZINC000045245278 563126484 /nfs/dbraw/zinc/12/64/84/563126484.db2.gz DMQCTPMXNCRRFN-QFIPXVFZSA-N 0 0 444.384 5.242 1 0 IKAFRN CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)C1c1nc2ccc(Cl)cc2n1C ZINC000045245972 563126640 /nfs/dbraw/zinc/12/66/40/563126640.db2.gz AVPYSJFWICKDGZ-HXUWFJFHSA-N 0 0 444.753 6.176 1 0 IKAFRN CNc1ccc(/C=C/c2ccc(OCCCCCCCCCCCCCCF)cc2)cc1 ZINC000045245849 563126646 /nfs/dbraw/zinc/12/66/46/563126646.db2.gz CAJXRUZXMOHNRR-CCEZHUSRSA-N 0 0 439.659 8.928 1 0 IKAFRN CC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(NC(=O)[C@H](C)Oc2ccccc2)c1 ZINC000045246055 563126767 /nfs/dbraw/zinc/12/67/67/563126767.db2.gz XIQQHIURKOKROB-KRWDZBQOSA-N 0 0 445.494 6.072 1 0 IKAFRN FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=S)Nc4ccccc4)cc32)c1 ZINC000045254613 563127011 /nfs/dbraw/zinc/12/70/11/563127011.db2.gz HAYGNJNUHGXSTP-UHFFFAOYSA-N 0 0 439.466 6.201 1 0 IKAFRN CCOC(=O)c1cc([C@H](C)Oc2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)on1 ZINC000045256527 563127353 /nfs/dbraw/zinc/12/73/53/563127353.db2.gz WFXFQABNPYTLNK-VIFPVBQESA-N 0 0 448.319 5.577 1 0 IKAFRN CNc1nc2cccc(C)c2c(NCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000045258664 563127505 /nfs/dbraw/zinc/12/75/05/563127505.db2.gz GSIFXTHXPURSBY-UHFFFAOYSA-N 0 0 431.927 5.498 1 0 IKAFRN COc1ccc(Nc2ncnc3ccc(NC(=S)Nc4cccc(Cl)c4)cc32)cc1 ZINC000045259987 563127641 /nfs/dbraw/zinc/12/76/41/563127641.db2.gz LFIYFGISUSRLNS-UHFFFAOYSA-N 0 0 435.940 5.844 1 0 IKAFRN COc1ccc([C@@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)OC(C)(C)C ZINC000045260952 563127743 /nfs/dbraw/zinc/12/77/43/563127743.db2.gz ZETKNZHIJVJONK-IRXDYDNUSA-N 0 0 429.513 5.339 1 0 IKAFRN COc1ccc([C@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)OC(C)(C)C ZINC000045260950 563127745 /nfs/dbraw/zinc/12/77/45/563127745.db2.gz ZETKNZHIJVJONK-IAGOWNOFSA-N 0 0 429.513 5.339 1 0 IKAFRN CCCOc1cccc(Oc2ccc(-c3ccc([C@@H](C)NC(=O)c4cn[nH]c4)cc3)cc2)c1 ZINC000045260339 563127753 /nfs/dbraw/zinc/12/77/53/563127753.db2.gz INITZJYAMOMMSL-LJQANCHMSA-N 0 0 441.531 6.149 1 0 IKAFRN CC1(C)C[C@@]2(CN(Cc3ccccc3)C(=S)CO2)c2cc(Br)ccc2O1 ZINC000045261994 563127897 /nfs/dbraw/zinc/12/78/97/563127897.db2.gz JQXYQADDYBCKKN-OAQYLSRUSA-N 0 0 432.383 5.065 1 0 IKAFRN Cc1c(C(=O)Nc2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1 ZINC000045284351 563127994 /nfs/dbraw/zinc/12/79/94/563127994.db2.gz IYCKLSMGGKQPDY-UHFFFAOYSA-N 0 0 445.737 6.184 1 0 IKAFRN CN1C(=O)C=C[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)NC(C)(C)CC(C)(C)C)[C@@]3(C)CC[C@@H]12 ZINC000045284497 563128043 /nfs/dbraw/zinc/12/80/43/563128043.db2.gz LZVXKVSVIJONDQ-POCDESFWSA-N 0 0 442.688 5.573 1 0 IKAFRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1N=C(c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000045286383 563128360 /nfs/dbraw/zinc/12/83/60/563128360.db2.gz PZVVVDYEAUYOJD-PIIWDFAUSA-N 0 0 436.511 5.089 1 0 IKAFRN CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)C1c1nc2cc(F)ccc2n1C ZINC000045287683 563128506 /nfs/dbraw/zinc/12/85/06/563128506.db2.gz GSXVIOPVSCTVSK-FQEVSTJZSA-N 0 0 428.298 5.662 1 0 IKAFRN CC(=O)O[C@@H]1OC=C2[C@H]1[C@@]1(C)CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1C[C@@H]2O ZINC000045288610 563128652 /nfs/dbraw/zinc/12/86/52/563128652.db2.gz FQJRSISTDYPNPR-ARCYHYOLSA-N 0 0 430.629 5.836 1 0 IKAFRN C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON=C(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000045298822 563128972 /nfs/dbraw/zinc/12/89/72/563128972.db2.gz OJMYPRZPMANGHE-JRLVAEJTSA-N 0 0 444.962 5.633 1 0 IKAFRN Cc1c(C(=O)NC2CCCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1 ZINC000045299728 563129023 /nfs/dbraw/zinc/12/90/23/563129023.db2.gz NMLIJLQSNMCBDN-UHFFFAOYSA-N 0 0 431.367 5.731 1 0 IKAFRN NC(=S)Nc1cccc(OCCCCCNC(=S)Nc2cccc3ccccc32)c1 ZINC000045300876 563129226 /nfs/dbraw/zinc/12/92/26/563129226.db2.gz SFDOWPPHBWEVMT-UHFFFAOYSA-N 0 0 438.622 5.031 1 0 IKAFRN O=C1Nc2c(ccc(Cl)c2Cl)/C1=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000045316048 563129845 /nfs/dbraw/zinc/12/98/45/563129845.db2.gz WOUHHDSUCGPNJQ-WZUFQYTHSA-N 0 0 426.143 6.524 1 0 IKAFRN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1c1nc(-c2ccccc2)co1 ZINC000045316683 563129876 /nfs/dbraw/zinc/12/98/76/563129876.db2.gz BCHNQKVRGBRJCE-RTBURBONSA-N 0 0 430.426 5.440 1 0 IKAFRN Clc1cc(Cl)cc([C@@H]2CC([C@@H]3CCC[C@H]3c3cc(-c4ccccc4)on3)=NO2)c1 ZINC000045315707 563129878 /nfs/dbraw/zinc/12/98/78/563129878.db2.gz XHIIDZCPGGPDBR-PWHSHALESA-N 0 0 427.331 7.050 1 0 IKAFRN C[C@]1(c2ccccc2)CC([C@@H]2CCC[C@H]2C(=O)NCc2ccc(C(F)(F)F)cc2)=NO1 ZINC000045319086 563130087 /nfs/dbraw/zinc/13/00/87/563130087.db2.gz KQWUKCIUUVFYHT-TXTKFYIRSA-N 0 0 430.470 5.430 1 0 IKAFRN CCCCC(=O)N[C@@H](C)c1ccc(-c2ccc(Oc3ccc(OCCC)cc3)nc2)cc1 ZINC000045318614 563130134 /nfs/dbraw/zinc/13/01/34/563130134.db2.gz ZOBIVUMMPIBCGH-FQEVSTJZSA-N 0 0 432.564 6.697 1 0 IKAFRN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1 ZINC000045322394 563130387 /nfs/dbraw/zinc/13/03/87/563130387.db2.gz ALMQNUTZOAEMHK-NSYGIPOTSA-N 0 0 443.522 5.412 1 0 IKAFRN CCCC(=O)c1cnc2c(Oc3cc(Cl)ncn3)cccc2c1Nc1ccccc1C ZINC000045323930 563130749 /nfs/dbraw/zinc/13/07/49/563130749.db2.gz BOWLXZPZVGYASM-UHFFFAOYSA-N 0 0 432.911 6.505 1 0 IKAFRN O=C(NCc1ccc(F)cc1)Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000045324334 563130869 /nfs/dbraw/zinc/13/08/69/563130869.db2.gz HDEOPMCYMWANJC-UHFFFAOYSA-N 0 0 436.490 6.358 1 0 IKAFRN O=C(Nc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)c1ccoc1 ZINC000045324810 563130889 /nfs/dbraw/zinc/13/08/89/563130889.db2.gz JBHMBTQTRXYEHC-UHFFFAOYSA-N 0 0 447.416 6.761 1 0 IKAFRN CCCCC(=O)N[C@H](C)c1ccc(-c2ccc(Oc3ccc(OCCC)cc3)cc2)cc1 ZINC000045325024 563130946 /nfs/dbraw/zinc/13/09/46/563130946.db2.gz OLXZHWDLQVSTGZ-OAQYLSRUSA-N 0 0 431.576 7.302 1 0 IKAFRN CCN(CCNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C)c1 ZINC000045324955 563130957 /nfs/dbraw/zinc/13/09/57/563130957.db2.gz RSQRYFDLFMSLCS-UHFFFAOYSA-N 0 0 433.396 5.681 1 0 IKAFRN O=C(NCc1cccc(F)c1)Nc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000045325080 563130991 /nfs/dbraw/zinc/13/09/91/563130991.db2.gz NFZPEEDIBHVWCW-UHFFFAOYSA-N 0 0 436.490 6.358 1 0 IKAFRN Cc1cccc(Cl)c1S(=O)(=O)N1CCCCC(c2ccc(C(F)(F)F)cc2)=N1 ZINC000045334510 563131089 /nfs/dbraw/zinc/13/10/89/563131089.db2.gz QWFRRGBGKCPFGB-UHFFFAOYSA-N 0 0 430.879 5.246 1 0 IKAFRN Cc1cc(C)n(-c2nc(-c3ccccc3)nc3c2[C@H]2CCCN2C(=O)N3c2ccccc2)n1 ZINC000045334609 563131094 /nfs/dbraw/zinc/13/10/94/563131094.db2.gz TXILYGWDCJCVGK-OAQYLSRUSA-N 0 0 436.519 5.355 1 0 IKAFRN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000045334906 563131197 /nfs/dbraw/zinc/13/11/97/563131197.db2.gz LFLWFUKVHCOBTD-NSYGIPOTSA-N 0 0 443.522 5.412 1 0 IKAFRN COc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 ZINC000045336849 563131575 /nfs/dbraw/zinc/13/15/75/563131575.db2.gz PFIHXFFBMHLILW-UHFFFAOYSA-N 0 0 437.446 5.462 1 0 IKAFRN Fc1ccc(C[C@@H]2CC[C@H](c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2)cc1F ZINC000045338900 563131755 /nfs/dbraw/zinc/13/17/55/563131755.db2.gz DZOXGRZPPMWLSR-BXKMTCNYSA-N 0 0 432.341 7.472 1 0 IKAFRN COc1ccccc1-c1sccc1C(=O)NC1(c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000045339325 563131855 /nfs/dbraw/zinc/13/18/55/563131855.db2.gz SUHSCYUAJHNEMB-UHFFFAOYSA-N 0 0 446.399 6.930 1 0 IKAFRN CCCCOCCCN1C(=O)CS[C@@H]1c1cnccc1-c1ccc(Br)cc1 ZINC000045339042 563131860 /nfs/dbraw/zinc/13/18/60/563131860.db2.gz PRJRXTKAISFGMX-OAQYLSRUSA-N 0 0 449.414 5.292 1 0 IKAFRN CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(Cl)nc21 ZINC000045349218 563132039 /nfs/dbraw/zinc/13/20/39/563132039.db2.gz ZUENDXIRQKLKPB-UHFFFAOYSA-N 0 0 426.944 5.438 1 0 IKAFRN Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000045348711 563132091 /nfs/dbraw/zinc/13/20/91/563132091.db2.gz VIFNFZUIGYFVAV-UHFFFAOYSA-N 0 0 432.932 6.255 1 0 in-vitro IKAFRN CN(C)C(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000066077062 563157698 /nfs/dbraw/zinc/15/76/98/563157698.db2.gz YBEMCESPHIGIAC-UHFFFAOYSA-N 0 0 443.204 5.122 1 0 IKAFRN Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)cc1Oc1cccc2[nH]c(=O)[nH]c21 ZINC000045366988 563133135 /nfs/dbraw/zinc/13/31/35/563133135.db2.gz PBJLOIPTAUEAOV-UHFFFAOYSA-N 0 0 443.381 5.108 1 0 IKAFRN O=C(Nc1cccc(SC(F)(F)F)c1)c1cccc(Oc2cccc3[nH]c(=O)[nH]c32)c1 ZINC000045367752 563133159 /nfs/dbraw/zinc/13/31/59/563133159.db2.gz HAFYPWOMNOQLSS-UHFFFAOYSA-N 0 0 445.422 5.513 1 0 IKAFRN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000045372386 563133429 /nfs/dbraw/zinc/13/34/29/563133429.db2.gz VVKJEVDMIQNHQM-UHFFFAOYSA-N 0 0 446.812 6.185 1 0 IKAFRN CC(=O)Nc1ccc(OC(=O)[C@H](C)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)cc1 ZINC000045371406 563133453 /nfs/dbraw/zinc/13/34/53/563133453.db2.gz KUYVDHHSNTWCBC-CQSZACIVSA-N 0 0 443.425 5.512 1 0 IKAFRN O=C1NC(=O)[C@@H](Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2Cl)S1 ZINC000045373461 563133527 /nfs/dbraw/zinc/13/35/27/563133527.db2.gz WWPYHXJAQFBPRE-GFCCVEGCSA-N 0 0 437.226 5.094 1 0 IKAFRN CSc1ccc(NC(=O)N2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000045373791 563133541 /nfs/dbraw/zinc/13/35/41/563133541.db2.gz NVMMOJIIPBJEOJ-NRFANRHFSA-N 0 0 445.510 6.256 1 0 IKAFRN O[C@H](Cn1cnc2ccccc21)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000045374762 563133604 /nfs/dbraw/zinc/13/36/04/563133604.db2.gz VNOVQLJFNCUXLN-MRXNPFEDSA-N 0 0 425.332 5.356 1 0 IKAFRN CCCC(=O)c1c(O)c2c(c3c([C@@H](O)CC)cc(=O)oc13)O[C@@](C)(CCC=C(C)C)C=C2 ZINC000045496001 563134428 /nfs/dbraw/zinc/13/44/28/563134428.db2.gz BUOYJFQOEHKTFC-QYBDOPJKSA-N 0 0 440.536 5.836 1 0 IKAFRN CCCC(=O)c1c(O)c2c(c3c([C@@H](O)CC)cc(=O)oc13)O[C@](C)(CCC=C(C)C)C=C2 ZINC000045496003 563134445 /nfs/dbraw/zinc/13/44/45/563134445.db2.gz BUOYJFQOEHKTFC-HFJWLAOPSA-N 0 0 440.536 5.836 1 0 IKAFRN COc1ccccc1NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1 ZINC000045506590 563134927 /nfs/dbraw/zinc/13/49/27/563134927.db2.gz VQZIATWRZBVRPR-UHFFFAOYSA-N 0 0 445.454 5.069 1 0 IKAFRN O=C1OC2(CCC(c3nc4cc(Cl)c(-c5ccccc5)cc4[nH]3)CC2)c2ccccc21 ZINC000045506688 563134937 /nfs/dbraw/zinc/13/49/37/563134937.db2.gz GJAIVYBZNPYODK-UHFFFAOYSA-N 0 0 428.919 6.607 1 0 IKAFRN CCc1ccc([C@H]2ON=C(c3ccc(C4=NO[C@H](c5ccc(CC)cc5)O4)cc3)O2)cc1 ZINC000048999181 563135064 /nfs/dbraw/zinc/13/50/64/563135064.db2.gz YFAQTTPVQAVUSI-CLJLJLNGSA-N 0 0 428.488 5.626 1 0 IKAFRN Cc1ccc(Sc2cccc(-c3ncn(C)c3-c3cc4c(ncnc4N)s3)c2)cc1 ZINC000049021075 563135696 /nfs/dbraw/zinc/13/56/96/563135696.db2.gz XKDIECPVMKTCRQ-UHFFFAOYSA-N 0 0 429.574 5.801 1 0 IKAFRN Clc1ccc([C@H]2ON=C(c3ccc(C4=NO[C@H](c5ccc(Cl)cc5)O4)cc3)O2)cc1 ZINC000049031380 563135765 /nfs/dbraw/zinc/13/57/65/563135765.db2.gz IVNQNUYXDNHJCB-FGZHOGPDSA-N 0 0 441.270 5.808 1 0 IKAFRN CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3nccc4ccccc43)cc2)no1 ZINC000049033401 563135976 /nfs/dbraw/zinc/13/59/76/563135976.db2.gz YXVUAHGIBRKAGD-UHFFFAOYSA-N 0 0 429.480 5.417 1 0 IKAFRN Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCC[C@@H](C)C4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049035793 563136278 /nfs/dbraw/zinc/13/62/78/563136278.db2.gz ZFZKTDQPHJCYKI-CYBMUJFWSA-N 0 0 438.925 5.954 1 0 IKAFRN CCCNc1nc(-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)nc2c1ncn2C ZINC000049046754 563136674 /nfs/dbraw/zinc/13/66/74/563136674.db2.gz KBTDGTQQKGIYEA-UHFFFAOYSA-N 0 0 435.919 5.150 1 0 IKAFRN CC1(C)C[C@](C)(O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049047230 563136676 /nfs/dbraw/zinc/13/66/76/563136676.db2.gz DNIMVDXXSHCQLS-QHCPKHFHSA-N 0 0 448.777 7.144 1 0 IKAFRN O=C(NC1CCCCC1)N1CCN([C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)CC1 ZINC000049050986 563136859 /nfs/dbraw/zinc/13/68/59/563136859.db2.gz CYXNIKYYBOULLS-QHCPKHFHSA-N 0 0 446.422 5.743 1 0 IKAFRN CCc1nc2n(c1C(=O)N(CC)Cc1ccccc1)CCC(=O)N2c1c(C)cc(C)cc1C ZINC000049052005 563136928 /nfs/dbraw/zinc/13/69/28/563136928.db2.gz QLQYTHFRDJSIGD-UHFFFAOYSA-N 0 0 444.579 5.101 1 0 IKAFRN NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2[C@H]1CCCc2ccccc21 ZINC000049052963 563137022 /nfs/dbraw/zinc/13/70/22/563137022.db2.gz FAXGNZVWMOTLTH-QFIPXVFZSA-N 0 0 430.939 5.326 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(O)cc2)cc1O ZINC000049053660 563137046 /nfs/dbraw/zinc/13/70/46/563137046.db2.gz OQUSJSFJUXJRDA-RGNLDTJCSA-N 0 0 432.604 7.936 1 0 IKAFRN FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncccc4C(F)(F)F)ccc23)cc1 ZINC000049067239 563137270 /nfs/dbraw/zinc/13/72/70/563137270.db2.gz HLHIQJCUGILCBW-UHFFFAOYSA-N 0 0 434.343 6.473 1 0 IKAFRN O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc21)c1cccc(Cl)c1 ZINC000049070118 563137715 /nfs/dbraw/zinc/13/77/15/563137715.db2.gz RUGZBPYNBAVRIW-UHFFFAOYSA-N 0 0 439.906 5.447 1 0 IKAFRN Clc1cccc(Cl)c1Cc1nnc(Nc2ccc(COCc3ccncc3)cc2)o1 ZINC000049070612 563137733 /nfs/dbraw/zinc/13/77/33/563137733.db2.gz VOJYHFDFGYAGIL-UHFFFAOYSA-N 0 0 441.318 5.823 1 0 IKAFRN Cc1cnc2c(cccc2C(F)(F)F)c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1 ZINC000049072207 563137890 /nfs/dbraw/zinc/13/78/90/563137890.db2.gz NVDRYPHMVKODMP-UHFFFAOYSA-N 0 0 441.474 6.300 1 0 IKAFRN Cc1cc(OC[P@@]2(=O)OCC[C@@H](c3cccnc3C)O2)c2c(c1C)Cc1scnc1-2 ZINC000049089878 563138175 /nfs/dbraw/zinc/13/81/75/563138175.db2.gz WPASHFXVTJYQPC-RBSBEOHCSA-N 0 0 442.477 5.742 1 0 IKAFRN O=C(NC1CCCCC1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000049111687 563138206 /nfs/dbraw/zinc/13/82/06/563138206.db2.gz DZTIBAZROYTGNS-QHCPKHFHSA-N 0 0 446.422 5.743 1 0 IKAFRN CCN(CC)C(=O)CC[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000049112709 563138415 /nfs/dbraw/zinc/13/84/15/563138415.db2.gz YWSWCOZFNGPLJG-VWLOTQADSA-N 0 0 442.003 5.554 1 0 IKAFRN FC(F)(F)c1ccc(Nc2ccnc3cc(-c4ncccc4C(F)(F)F)cnc32)nc1 ZINC000049113172 563138466 /nfs/dbraw/zinc/13/84/66/563138466.db2.gz PRVJSMYTYHHMAO-UHFFFAOYSA-N 0 0 435.331 5.868 1 0 IKAFRN Clc1ccccc1[C@H]1ON=C(c2ccc(C3=NO[C@H](c4ccccc4Cl)O3)cc2)O1 ZINC000049113254 563138585 /nfs/dbraw/zinc/13/85/85/563138585.db2.gz OBEKYLRSYGFRJP-FGZHOGPDSA-N 0 0 441.270 5.808 1 0 IKAFRN Clc1cccc(Cl)c1Cc1nnc(Nc2ccc(COCc3ccccn3)cc2)o1 ZINC000049114069 563138642 /nfs/dbraw/zinc/13/86/42/563138642.db2.gz PEKYGRKUMMNXPS-UHFFFAOYSA-N 0 0 441.318 5.823 1 0 IKAFRN Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(cnn3C3CCCC3)c2Cl)cc1 ZINC000049115861 563138764 /nfs/dbraw/zinc/13/87/64/563138764.db2.gz BXUUKKYLHCNIGH-UHFFFAOYSA-N 0 0 449.942 5.402 1 0 IKAFRN COC(=O)c1csc(NC(=O)[C@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1 ZINC000049115758 563138777 /nfs/dbraw/zinc/13/87/77/563138777.db2.gz GLJHRZZRWZRDGK-CYBMUJFWSA-N 0 0 427.353 5.539 1 0 IKAFRN OC1(c2ccc(Cl)cc2)CCN(C2=Nc3ccccc3CC=C2c2ccccc2)CC1 ZINC000049600180 563138986 /nfs/dbraw/zinc/13/89/86/563138986.db2.gz PMPHCLOBINXBNT-UHFFFAOYSA-N 0 0 428.963 5.993 1 0 IKAFRN CCOc1cccc(C2=Nc3cc(C(=O)NC(C)C)ccc3CN2CC2CCCCC2)c1 ZINC000049744841 563139217 /nfs/dbraw/zinc/13/92/17/563139217.db2.gz XXDNJILWVQWZAH-UHFFFAOYSA-N 0 0 433.596 5.698 1 0 IKAFRN O=C(NCCSCc1cccc(Cl)c1)c1c(C(F)(F)F)cccc1C(F)(F)F ZINC000049803334 563140015 /nfs/dbraw/zinc/14/00/15/563140015.db2.gz HUBKBTJLBCGVFO-UHFFFAOYSA-N 0 0 441.824 6.041 1 0 IKAFRN COc1ccc(/C=C2\SC(=O)N(Cc3cccc(Cl)c3)C2=O)cc1Br ZINC000049808079 563140246 /nfs/dbraw/zinc/14/02/46/563140246.db2.gz LIKBGZLIIPCFJX-SXGWCWSVSA-N 0 0 438.730 5.348 1 0 IKAFRN O=C(Nc1ccccc1)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000049808543 563140315 /nfs/dbraw/zinc/14/03/15/563140315.db2.gz ZCRSXTWNDKCFKH-UHFFFAOYSA-N 0 0 449.941 7.112 1 0 IKAFRN CC(=O)Oc1sccc1NC(=O)Nc1ccc(Oc2ccc(-c3ncc[nH]3)cc2)cc1 ZINC000049808307 563140316 /nfs/dbraw/zinc/14/03/16/563140316.db2.gz FGQLJEDPZAZXQZ-UHFFFAOYSA-N 0 0 434.477 5.500 1 0 IKAFRN CO[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H]([C@H](C)[C@H](O)C[C@H](C)C(C)C)CC[C@H]3[C@H]12 ZINC000049867270 563140415 /nfs/dbraw/zinc/14/04/15/563140415.db2.gz UYEMZAOCHUCHMG-VVCGRGFXSA-N 0 0 446.716 6.230 1 0 IKAFRN CO[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)[C@H](O)C[C@H](C)C(C)C)CC[C@H]3[C@H]12 ZINC000049867271 563140425 /nfs/dbraw/zinc/14/04/25/563140425.db2.gz UYEMZAOCHUCHMG-QSLXZLSSSA-N 0 0 446.716 6.230 1 0 IKAFRN C[C@@H](NC(=O)c1cccc(-c2c[nH]c(-c3cc4ccccc4cn3)n2)c1)c1ccc(F)cc1 ZINC000049820749 563140440 /nfs/dbraw/zinc/14/04/40/563140440.db2.gz SIBDJDZVNXVLEX-QGZVFWFLSA-N 0 0 436.490 5.922 1 0 IKAFRN O=C(CCc1ccncc1)[C@H](Nc1ccccc1Cl)c1ccccc1Br ZINC000052595024 563140821 /nfs/dbraw/zinc/14/08/21/563140821.db2.gz KQVBOEIUNJNDAK-OAQYLSRUSA-N 0 0 429.745 5.853 1 0 IKAFRN Cc1ccc(N[C@@H](C(=O)CCc2ccccn2)c2ccccc2Br)c(Cl)c1 ZINC000052594962 563140843 /nfs/dbraw/zinc/14/08/43/563140843.db2.gz HTLCAYDBZHYROK-JOCHJYFZSA-N 0 0 443.772 6.161 1 0 IKAFRN C[C@H](C(=O)N1CCCCC1)c1cccc([C@@H](OC(=O)N2CCCCC2)c2ccccc2)c1 ZINC000053242638 563141429 /nfs/dbraw/zinc/14/14/29/563141429.db2.gz JKVXZJSDKJBYOM-OFVILXPXSA-N 0 0 434.580 5.515 1 0 IKAFRN O=C(CCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c21)Nc1ccccc1 ZINC000053243079 563141482 /nfs/dbraw/zinc/14/14/82/563141482.db2.gz AJOYRERCGHKGBR-UHFFFAOYSA-N 0 0 434.499 5.998 1 0 IKAFRN C[C@@H](C(=O)N1CCCCC1)c1cccc([C@@H](OC(=O)N2CCCCC2)c2ccccc2)c1 ZINC000053242640 563141500 /nfs/dbraw/zinc/14/15/00/563141500.db2.gz JKVXZJSDKJBYOM-BWKNWUBXSA-N 0 0 434.580 5.515 1 0 IKAFRN C[C@@H](C(=O)NC1CCCC1)c1cccc([C@@H](OC(=O)NC2CCCC2)c2ccccc2)c1 ZINC000053312289 563142023 /nfs/dbraw/zinc/14/20/23/563142023.db2.gz XQLNSUYTMDPVAV-CLOONOSVSA-N 0 0 434.580 5.607 1 0 IKAFRN CC(=O)N[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@H]12 ZINC000058498083 563143585 /nfs/dbraw/zinc/14/35/85/563143585.db2.gz YDLOWHCLDZBVMN-SBJPRDOKSA-N 0 0 445.732 6.583 1 0 IKAFRN COc1cc(C[C@@H]2c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)cc(OC)c1OC ZINC000058506434 563143712 /nfs/dbraw/zinc/14/37/12/563143712.db2.gz NIPCPZVPIZHADP-MRXNPFEDSA-N 0 0 443.326 5.938 1 0 IKAFRN NC(=S)Nc1ccc2c(c1)Cc1cc(N(Cc3ccccc3)Cc3ccccc3)ccc1-2 ZINC000058590501 563145328 /nfs/dbraw/zinc/14/53/28/563145328.db2.gz VAUQJXNOEKYSDG-UHFFFAOYSA-N 0 0 435.596 6.120 1 0 IKAFRN CCc1cc(OC)c2c(nc(-c3ccc(C(C)C)cc3)n2CCOC)c1Br ZINC000058590471 563145361 /nfs/dbraw/zinc/14/53/61/563145361.db2.gz WTLMRENAAYANIL-UHFFFAOYSA-N 0 0 431.374 5.807 1 0 IKAFRN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1cc(Cl)ccc1Cl ZINC000059068895 563146166 /nfs/dbraw/zinc/14/61/66/563146166.db2.gz LJIKVHFKPVRVLA-UHFFFAOYSA-N 0 0 446.117 7.012 1 0 IKAFRN CCCOP(=O)(OCCC)[C@@H](NC(=S)N[C@@H](C)C1CCCCC1)c1ccccc1 ZINC000059130227 563146223 /nfs/dbraw/zinc/14/62/23/563146223.db2.gz LUEJLXPTNNKOCU-GHTZIAJQSA-N 0 0 440.590 6.164 1 0 IKAFRN CC(C)OP(=O)(OC(C)C)[C@H](NC(=S)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000059130241 563146242 /nfs/dbraw/zinc/14/62/42/563146242.db2.gz WERBVZHAUGHWMQ-NQIIRXRSSA-N 0 0 434.542 5.954 1 0 IKAFRN CC(C)OP(=O)(OC(C)C)[C@@H](NC(=S)N[C@@H](C)C1CCCCC1)c1ccccc1 ZINC000059130243 563146308 /nfs/dbraw/zinc/14/63/08/563146308.db2.gz SBFLXPXTIZVPFN-GHTZIAJQSA-N 0 0 440.590 6.161 1 0 IKAFRN COc1ccc(-c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c3occc32)c(C)c1 ZINC000061896300 563147332 /nfs/dbraw/zinc/14/73/32/563147332.db2.gz YFVMFAYGHVAWEM-UHFFFAOYSA-N 0 0 439.433 6.366 3 0 IKAFRN C[C@@]1(Cc2ccc(C(F)(F)F)o2)C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cc21 ZINC000061896517 563147404 /nfs/dbraw/zinc/14/74/04/563147404.db2.gz FFQUTICDHROJDA-FQEVSTJZSA-N 0 0 439.355 6.437 3 0 IKAFRN C[C@]1(C(=O)Nc2cccc(Oc3ccccc3)c2)CCN1Cc1ccccc1OC(F)F ZINC000061898180 563147667 /nfs/dbraw/zinc/14/76/67/563147667.db2.gz ZHWASHLTKVSRTG-RUZDIDTESA-N 0 0 438.474 5.683 3 0 IKAFRN O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@@H]2CCCCN2C(=O)c2ccccc2)on1 ZINC000061898276 563147700 /nfs/dbraw/zinc/14/77/00/563147700.db2.gz IQFKKOIHEQBTLT-IBGZPJMESA-N 0 0 427.863 5.087 3 0 IKAFRN CCCCN(C)c1c(C)nc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn21 ZINC000061903558 563147932 /nfs/dbraw/zinc/14/79/32/563147932.db2.gz DWUVLWLYKDGGLO-UHFFFAOYSA-N 0 0 442.563 5.807 3 0 IKAFRN Cc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C)Cc1cccs1 ZINC000061903561 563147938 /nfs/dbraw/zinc/14/79/38/563147938.db2.gz PLAUQYNPIIDNJA-UHFFFAOYSA-N 0 0 431.483 5.938 3 0 IKAFRN CCc1nc2c(OCCC3CCCCC3)cccn2c1N(C)C(=O)COc1ccccc1 ZINC000061903889 563147998 /nfs/dbraw/zinc/14/79/98/563147998.db2.gz LFYXFTAKWVDAIZ-UHFFFAOYSA-N 0 0 435.568 5.288 3 0 IKAFRN CSc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000061903848 563148018 /nfs/dbraw/zinc/14/80/18/563148018.db2.gz GXGZSCQAFQMZDC-HHHXNRCGSA-N 0 0 444.600 5.437 3 0 IKAFRN CC(=O)Nc1cc(-c2cccc(CO)c2)cn2c(-c3cccc(C(F)(F)F)c3)cnc12 ZINC000061904689 563148179 /nfs/dbraw/zinc/14/81/79/563148179.db2.gz VZCYNPGZBVCZPF-UHFFFAOYSA-N 0 0 425.410 5.138 3 0 IKAFRN C[C@@]1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2c(nccc2-c2ccccc2)O1 ZINC000061904903 563148202 /nfs/dbraw/zinc/14/82/02/563148202.db2.gz FMJLPIGETYAHRC-NRFANRHFSA-N 0 0 432.829 5.753 3 0 IKAFRN CCC(CC)C(=O)N(C)c1c(C)nc2c(OCc3cc(Cl)cc(Cl)c3)cccn21 ZINC000061905130 563148318 /nfs/dbraw/zinc/14/83/18/563148318.db2.gz HERJEIWCKIRLKH-UHFFFAOYSA-N 0 0 434.367 5.928 3 0 IKAFRN CC(C)(C)c1cc(NC(=O)[C@@]2(C)CCN2C(=O)c2ccccc2CCc2ccccc2)no1 ZINC000061905904 563148486 /nfs/dbraw/zinc/14/84/86/563148486.db2.gz ORKMFGNIRHFCKX-HHHXNRCGSA-N 0 0 445.563 5.001 3 0 IKAFRN CC(C)(C)c1cc(NC(=O)[C@]2(C)CCN2C(=O)c2ccccc2CCc2ccccc2)no1 ZINC000061905905 563148489 /nfs/dbraw/zinc/14/84/89/563148489.db2.gz ORKMFGNIRHFCKX-MHZLTWQESA-N 0 0 445.563 5.001 3 0 IKAFRN C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061906139 563148492 /nfs/dbraw/zinc/14/84/92/563148492.db2.gz OCMUMPVBISBMKS-LJAQVGFWSA-N 0 0 449.554 5.263 3 0 IKAFRN C[C@]1(C(=O)NCc2cccc3ccccc32)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000061907183 563148744 /nfs/dbraw/zinc/14/87/44/563148744.db2.gz ATWWEICZWHBRBA-SSEXGKCCSA-N 0 0 448.566 5.357 3 0 IKAFRN CCN(CC)C(=O)c1cccc(-c2csc([C@](O)(c3ccccc3)C(F)(F)F)n2)c1 ZINC000061907952 563148913 /nfs/dbraw/zinc/14/89/13/563148913.db2.gz ABTIYWRNCPGSCV-OAQYLSRUSA-N 0 0 434.483 5.090 3 0 IKAFRN CC(C)c1ccc(Nc2ncc3c(n2)CCN(C(=O)Nc2ccc(F)c(Cl)c2)C3)cc1 ZINC000061908293 563148964 /nfs/dbraw/zinc/14/89/64/563148964.db2.gz FGIVDQXYEUQFAQ-UHFFFAOYSA-N 0 0 439.922 5.726 3 0 IKAFRN CC(C)c1ccc(NC(=O)[C@@]2(C)Cc3c(nccc3-c3cccc(C(F)(F)F)c3)O2)cc1 ZINC000061908386 563148972 /nfs/dbraw/zinc/14/89/72/563148972.db2.gz LBYBPBDFHDJRCH-XMMPIXPASA-N 0 0 440.465 6.223 3 0 IKAFRN C[C@H]1[C@@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000061924278 563149749 /nfs/dbraw/zinc/14/97/49/563149749.db2.gz NRPJJNSHDGUUFU-NYHFZMIOSA-N 0 0 431.916 5.192 3 0 IKAFRN C[C@]1(C(=O)Nc2cccc3c2CCCC3)CCN1C(=O)CCc1ccc(Cl)cc1Cl ZINC000061925486 563149754 /nfs/dbraw/zinc/14/97/54/563149754.db2.gz RLNHODYXUMWLIW-XMMPIXPASA-N 0 0 445.390 5.435 3 0 IKAFRN C[C@@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN1Cc1ccc(-c2ccccc2)o1 ZINC000061926702 563149969 /nfs/dbraw/zinc/14/99/69/563149969.db2.gz IVDRYGBXNWRUOJ-QHCPKHFHSA-N 0 0 428.454 5.246 3 0 IKAFRN CCc1nc2c(OCCC3CCCCC3)cccn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061926844 563150060 /nfs/dbraw/zinc/15/00/60/563150060.db2.gz SVONTHGIXHROIR-UHFFFAOYSA-N 0 0 435.568 5.418 3 0 IKAFRN COc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)c3occc32)c(C)c1 ZINC000061927046 563150128 /nfs/dbraw/zinc/15/01/28/563150128.db2.gz UYYLOPSKWCEDMX-UHFFFAOYSA-N 0 0 425.406 6.688 3 0 IKAFRN N[C@@H](COCc1ccccc1)c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000061928683 563150368 /nfs/dbraw/zinc/15/03/68/563150368.db2.gz VYEHYGFLSBWERM-INIZCTEOSA-N 0 0 436.459 5.023 3 0 IKAFRN CC(C)Nc1nc2cc(-c3ccccc3)sc2c(NCCOc2ccccc2Cl)n1 ZINC000061930341 563150575 /nfs/dbraw/zinc/15/05/75/563150575.db2.gz BOXDCNSPZYRJTP-UHFFFAOYSA-N 0 0 438.984 6.323 3 0 IKAFRN CCc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)c1cccs1 ZINC000061930140 563150601 /nfs/dbraw/zinc/15/06/01/563150601.db2.gz TXUIACLUCFUTBF-UHFFFAOYSA-N 0 0 427.476 5.092 3 0 IKAFRN COc1ccc(CON(CCCCCOCc2ccccc2)C(=O)OC(C)(C)C)cc1 ZINC000061943202 563150988 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/nfs/dbraw/zinc/16/26/68/563162668.db2.gz KJJHTEVURQVIIU-NRFANRHFSA-N 0 0 431.517 5.597 1 0 IKAFRN Clc1ccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)c(Cl)c1 ZINC000072102222 563162823 /nfs/dbraw/zinc/16/28/23/563162823.db2.gz CEDGUJWLWMPGAO-UHFFFAOYSA-N 0 0 425.319 5.641 1 0 IKAFRN CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc2c(s1)Cc1ccccc1-2)C1CCCCC1 ZINC000072106266 563163068 /nfs/dbraw/zinc/16/30/68/563163068.db2.gz CALDFYSMOPAXFM-UHFFFAOYSA-N 0 0 443.576 5.463 1 0 IKAFRN COc1ccc2c(c1)[C@](CCC(=O)N1[C@H](C)CC[C@@H]1C)(c1ccc(Cl)cc1)n1ccnc1-2 ZINC000072110356 563163350 /nfs/dbraw/zinc/16/33/50/563163350.db2.gz TUJSMEBQUNFBMQ-DFXHWTJYSA-N 0 0 449.982 5.497 1 0 IKAFRN COc1cc2ncnc(N3CCC[C@H](c4ccccc4)C3)c2cc1OCCc1ccncc1 ZINC000072114221 563163625 /nfs/dbraw/zinc/16/36/25/563163625.db2.gz HGHZWVNQYHVSEI-QFIPXVFZSA-N 0 0 440.547 5.039 1 0 IKAFRN CC(C)OC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 ZINC000072117121 563163756 /nfs/dbraw/zinc/16/37/56/563163756.db2.gz ARPLVMIRPYYABB-RUZDIDTESA-N 0 0 427.548 6.347 1 0 IKAFRN O=C(c1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CCOc1ccc(Cl)c(Cl)c1 ZINC000072119904 563163808 /nfs/dbraw/zinc/16/38/08/563163808.db2.gz NTLDOCBFCPCJIF-AWEZNQCLSA-N 0 0 447.189 6.764 1 0 IKAFRN CCCN(CCC)c1cc(N(CC2CC2)c2ccc(OC)cc2Cl)nc2ccnn21 ZINC000072119795 563163832 /nfs/dbraw/zinc/16/38/32/563163832.db2.gz NINWBDIMEPUOKY-UHFFFAOYSA-N 0 0 427.980 5.566 1 0 IKAFRN C[C@@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000072121473 563163917 /nfs/dbraw/zinc/16/39/17/563163917.db2.gz ISHYWYJLCKNVGD-VFNWGFHPSA-N 0 0 431.916 5.192 1 0 IKAFRN CCN(CC)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072135714 563164088 /nfs/dbraw/zinc/16/40/88/563164088.db2.gz BTKBEJLAMADJOP-YYIXTDKQSA-N 0 0 444.704 5.751 1 0 IKAFRN COc1ccc(-c2nc3c(C)cc(Br)cn3c2Cc2ccccc2)cc1OC ZINC000072136699 563164150 /nfs/dbraw/zinc/16/41/50/563164150.db2.gz YWBJHKUMYDFTIL-UHFFFAOYSA-N 0 0 437.337 5.680 3 0 IKAFRN COc1ccc(Cc2c(-c3ccc(F)cc3)nc3c(C)cc(Br)cn23)c(C)c1 ZINC000072136590 563164206 /nfs/dbraw/zinc/16/42/06/563164206.db2.gz UAXCYYXCJAUCMB-UHFFFAOYSA-N 0 0 439.328 6.119 3 0 IKAFRN C[C@@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000072138038 563164225 /nfs/dbraw/zinc/16/42/25/563164225.db2.gz FOBRNHAHAOUMFZ-QVKFZJNVSA-N 0 0 448.371 5.707 1 0 IKAFRN COc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccsc2)cc1OC ZINC000072139554 563164349 /nfs/dbraw/zinc/16/43/49/563164349.db2.gz ROAFVFMDEBNYTB-UHFFFAOYSA-N 0 0 429.339 5.433 3 0 IKAFRN COc1ccc(Cc2c(-c3cccc(Cl)c3)nc3ccc(Br)cn32)c(C)c1 ZINC000072138491 563164360 /nfs/dbraw/zinc/16/43/60/563164360.db2.gz XHPPOAMQMPYALC-UHFFFAOYSA-N 0 0 441.756 6.325 3 0 IKAFRN Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072139514 563164377 /nfs/dbraw/zinc/16/43/77/563164377.db2.gz SDKMEXVHAJFAST-FCPABOFRSA-N 0 0 439.603 5.314 3 0 IKAFRN FC(F)(F)c1ccccc1Cc1c(-c2ccccc2)nc2ccc(Br)cn21 ZINC000072139776 563164472 /nfs/dbraw/zinc/16/44/72/563164472.db2.gz QXSYZIQPDIFWQS-UHFFFAOYSA-N 0 0 431.255 6.373 3 0 IKAFRN Cc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2C(F)(F)F)cc1 ZINC000072139933 563164473 /nfs/dbraw/zinc/16/44/73/563164473.db2.gz VSTFIIOMWJLJMS-UHFFFAOYSA-N 0 0 445.282 6.682 3 0 IKAFRN CO[C@@H]1C=C2[C@@H]3CC[C@H]([C@@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000072140980 563164569 /nfs/dbraw/zinc/16/45/69/563164569.db2.gz GQVCGTRDXSDAHC-BXGCYBKASA-N 0 0 444.700 6.151 1 0 IKAFRN COc1ccccc1Cc1c(-c2ccc(F)cc2)nc2c(C)cc(Br)cn12 ZINC000072142490 563164779 /nfs/dbraw/zinc/16/47/79/563164779.db2.gz UMPCWZDFSNXFHF-UHFFFAOYSA-N 0 0 425.301 5.811 3 0 IKAFRN Clc1ccccc1CSc1nnc(-c2ccc3c(c2)OCCO3)n1-c1ccccc1 ZINC000072142454 563164816 /nfs/dbraw/zinc/16/48/16/563164816.db2.gz FUEYSTUBJFCYRL-UHFFFAOYSA-N 0 0 435.936 5.651 1 0 IKAFRN COc1cc(-c2nnc(N[C@@H](C)c3ccc(F)cc3)c(C)c2C)ccc1-n1cnc(C)c1 ZINC000072173468 563165201 /nfs/dbraw/zinc/16/52/01/563165201.db2.gz PTPDKUBOKAKOCS-SFHVURJKSA-N 0 0 431.515 5.575 1 0 IKAFRN CCc1cc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nnc1N[C@@H](C)c1ccc(F)cc1 ZINC000072173360 563165215 /nfs/dbraw/zinc/16/52/15/563165215.db2.gz XRVYEBMQBZZCDH-KRWDZBQOSA-N 0 0 431.515 5.521 1 0 IKAFRN COC(=O)Nc1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccccc3Cl)sc1-2 ZINC000072175026 563165278 /nfs/dbraw/zinc/16/52/78/563165278.db2.gz PZHALTLUOSWSCD-UHFFFAOYSA-N 0 0 442.924 5.458 1 0 IKAFRN Clc1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1 ZINC000072175673 563165514 /nfs/dbraw/zinc/16/55/14/563165514.db2.gz UJNVLAGYWUNWES-ZZXKWVIFSA-N 0 0 428.747 6.905 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@@H](c3ccccc3)[C@H]1C2 ZINC000072177056 563165860 /nfs/dbraw/zinc/16/58/60/563165860.db2.gz FUUKCJZUEZOAIJ-RDPSFJRHSA-N 0 0 431.467 5.008 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)cc3)[C@@H](c3ccccc3)[C@@H]1C2 ZINC000072177054 563165862 /nfs/dbraw/zinc/16/58/62/563165862.db2.gz FUUKCJZUEZOAIJ-YKSBVNFPSA-N 0 0 431.467 5.008 1 0 IKAFRN Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)N[C@@H]3CCOC(C)(C)C3)cc2c1 ZINC000072178837 563166388 /nfs/dbraw/zinc/16/63/88/563166388.db2.gz QMSHBBGXSXAGOO-XMSQKQJNSA-N 0 0 431.580 5.045 1 0 in-vitro IKAFRN CC(C)N(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000072179330 563166465 /nfs/dbraw/zinc/16/64/65/563166465.db2.gz VPTGVRIUIJTQRQ-UHFFFAOYSA-N 0 0 440.392 5.777 1 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(C(F)(F)F)cc1 ZINC000072179572 563166589 /nfs/dbraw/zinc/16/65/89/563166589.db2.gz JAWYEUHZRVUEPJ-WJGLBBAVSA-N 0 0 430.510 6.241 1 0 IKAFRN CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000072180286 563166858 /nfs/dbraw/zinc/16/68/58/563166858.db2.gz WAHMSRIRIAXTDF-OAQYLSRUSA-N 0 0 438.358 6.273 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@@H](c3ccccc3)[C@@H]1C2 ZINC000072180744 563166926 /nfs/dbraw/zinc/16/69/26/563166926.db2.gz HCDNUIFLRHNPOQ-RLWLMLJZSA-N 0 0 441.531 5.486 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccccc3)[C@H]1C2 ZINC000072180745 563166964 /nfs/dbraw/zinc/16/69/64/563166964.db2.gz HCDNUIFLRHNPOQ-HFZDXXHNSA-N 0 0 441.531 5.486 1 0 IKAFRN FC(F)(F)Oc1ccc(CNCc2coc(-c3ccccc3Br)n2)cc1 ZINC000072182816 563167520 /nfs/dbraw/zinc/16/75/20/563167520.db2.gz ZPXUXUCDPRCJEW-UHFFFAOYSA-N 0 0 427.220 5.293 1 0 IKAFRN CC[C@@H](C)[C@@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCOCC2)o1 ZINC000072184257 563167749 /nfs/dbraw/zinc/16/77/49/563167749.db2.gz XLYFKUYOYSCHFH-AUSIDOKSSA-N 0 0 435.568 5.064 1 0 IKAFRN FC(F)(F)Oc1ccc(-c2nc(CN3CCN(c4cccc(Cl)c4)CC3)co2)cc1 ZINC000072184533 563167781 /nfs/dbraw/zinc/16/77/81/563167781.db2.gz DMNXCWREGXDJRB-UHFFFAOYSA-N 0 0 437.849 5.216 1 0 IKAFRN CC[C@@H](C)[C@@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072185375 563168063 /nfs/dbraw/zinc/16/80/63/563168063.db2.gz YZYGOZIGGKPNTA-HYBUGGRVSA-N 0 0 433.596 6.218 1 0 IKAFRN CC[C@H](C)[C@@H](NCc1ccccc1OC)c1nc(-c2ccccc2)c(N2CCCCC2)o1 ZINC000072185376 563168068 /nfs/dbraw/zinc/16/80/68/563168068.db2.gz YZYGOZIGGKPNTA-GBXCKJPGSA-N 0 0 433.596 6.218 1 0 IKAFRN COc1nc(Nc2cccc3c2nc(-c2ccc(F)cc2)n3C)ccc1-n1cnc(C)c1 ZINC000072316199 563168377 /nfs/dbraw/zinc/16/83/77/563168377.db2.gz ZQYDYFCAHHBFKE-UHFFFAOYSA-N 0 0 428.471 5.021 1 0 IKAFRN COC(=O)c1ccc(CN2C[C@H](c3ccc(OC)c4oc5ccccc5c43)CC2=O)c(F)c1 ZINC000072317639 563168440 /nfs/dbraw/zinc/16/84/40/563168440.db2.gz XSOSGKOMEFEZFN-QGZVFWFLSA-N 0 0 447.462 5.036 1 0 IKAFRN COc1ccc([C@@H]2CC(=O)N(Cc3ccc(-c4ccno4)cc3)C2)c2c3ccccc3oc21 ZINC000072317645 563168458 /nfs/dbraw/zinc/16/84/58/563168458.db2.gz UTJDHUIBROECDV-LJQANCHMSA-N 0 0 438.483 5.766 1 0 IKAFRN O=C(N[C@@H]1c2ccccc2-c2c1cccc2-c1nc2cc[nH]cc-2n1)c1ccnc2[nH]ccc21 ZINC000072318449 563168504 /nfs/dbraw/zinc/16/85/04/563168504.db2.gz UIRMQSUQFQMQHL-XMMPIXPASA-N 0 0 442.482 5.001 1 0 in-vitro IKAFRN Cc1ccc(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C(=O)c2ccccc2)cc1 ZINC000073129991 563168730 /nfs/dbraw/zinc/16/87/30/563168730.db2.gz HQLAXWUPSZVHQG-XMMPIXPASA-N 0 0 434.539 5.811 1 0 IKAFRN Cc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073141174 563168946 /nfs/dbraw/zinc/16/89/46/563168946.db2.gz JWBDTJIDUGKSDV-NRFANRHFSA-N 0 0 442.544 5.811 1 0 IKAFRN COc1cc(Nc2ncc([C@@H](O)c3ccc(Cl)cc3)s2)ccc1-n1cnc(C)c1 ZINC000073159178 563169325 /nfs/dbraw/zinc/16/93/25/563169325.db2.gz DTFPEQAXIJBRKS-FQEVSTJZSA-N 0 0 426.929 5.125 1 0 IKAFRN COc1ccc(Oc2cc(Nc3ccc(Cl)cc3C(N)=O)c(C(F)(F)F)cn2)cc1 ZINC000073161953 563169482 /nfs/dbraw/zinc/16/94/82/563169482.db2.gz LGXVWUOKYGJIHS-UHFFFAOYSA-N 0 0 437.805 5.397 1 0 IKAFRN COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(-c4ccccc4)c3n2)cc1 ZINC000073198522 563170085 /nfs/dbraw/zinc/17/00/85/563170085.db2.gz CCMGXJGEWZSKPA-UHFFFAOYSA-N 0 0 426.455 5.450 1 0 IKAFRN COc1ccc2nc(NC(=O)c3cccnc3Nc3ccc(Cl)cc3Cl)sc2c1 ZINC000073199190 563170166 /nfs/dbraw/zinc/17/01/66/563170166.db2.gz YDTWUDOOSAMBMZ-UHFFFAOYSA-N 0 0 445.331 6.003 1 0 IKAFRN COc1cccc(-c2c[nH]c([C@@H](NC(=O)CCCOc3ccccc3)C3CCCCC3)n2)c1 ZINC000073199614 563170254 /nfs/dbraw/zinc/17/02/54/563170254.db2.gz ZNONXBIEHNDKBX-SANMLTNESA-N 0 0 447.579 5.682 1 0 IKAFRN COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](n4cc(-c5ccccc5)nn4)C[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000073200415 563170338 /nfs/dbraw/zinc/17/03/38/563170338.db2.gz BUASYPVBEZRFCF-JUTOMJJLSA-N 0 0 429.564 5.022 1 0 IKAFRN CCCCc1cc2c(cc1OCCOc1ccccc1)[nH]c(C)c(-c1cccnc1)c2=O ZINC000073222128 563170643 /nfs/dbraw/zinc/17/06/43/563170643.db2.gz ZEAQKEPEHMVMOR-UHFFFAOYSA-N 0 0 428.532 5.699 1 0 IKAFRN CCCOP(=O)(OCCC)[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000073222547 563170700 /nfs/dbraw/zinc/17/07/00/563170700.db2.gz BKRRZYLOYNLWDI-NRFANRHFSA-N 0 0 439.876 5.580 1 0 IKAFRN Cc1ccc(N2C(=O)N[C@@]3(C[C@@H]3c3ccc4cccc(OCc5ccccc5)c4n3)C2=O)cc1 ZINC000073223969 563170994 /nfs/dbraw/zinc/17/09/94/563170994.db2.gz NPCQHJQRDWTTJC-SKCUWOTOSA-N 0 0 449.510 5.105 1 0 IKAFRN Cc1ccc(N2C(=O)N[C@]3(C[C@H]3c3ccc4cccc(OCc5ccccc5)c4n3)C2=O)cc1 ZINC000073223970 563171000 /nfs/dbraw/zinc/17/10/00/563171000.db2.gz NPCQHJQRDWTTJC-DWACAAAGSA-N 0 0 449.510 5.105 1 0 IKAFRN CC[C@H](COc1ccc2c(c1)CCC(C[NH+]1CC(C(=O)[O-])C1)=C2C)Cc1ccc(F)cc1 ZINC000073275267 563171567 /nfs/dbraw/zinc/17/15/67/563171567.db2.gz IVKLQMNIWSFZIG-IBGZPJMESA-N 0 0 437.555 5.210 1 0 IKAFRN Oc1cccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)cc3)nc21 ZINC000073292187 563171902 /nfs/dbraw/zinc/17/19/02/563171902.db2.gz YMJXTAJUSIWTAS-UHFFFAOYSA-N 0 0 430.429 7.288 1 0 IKAFRN FC(F)(F)c1cccc(C(F)(F)F)c1-c1ccc2nc(C=CC3CCCCC3)[nH]c2c1 ZINC000073294624 563172007 /nfs/dbraw/zinc/17/20/07/563172007.db2.gz FJAIHRDKRKGFGE-FMIVXFBMSA-N 0 0 438.415 7.861 1 0 IKAFRN Nc1nc2c(ccn2Cc2ccc(Cl)cc2)c(Nc2cccc(Br)c2)n1 ZINC000073312775 563172358 /nfs/dbraw/zinc/17/23/58/563172358.db2.gz BHRRBEIGFFNGJI-UHFFFAOYSA-N 0 0 428.721 5.221 1 0 IKAFRN COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3cccc(Cl)c3)ccc2c1 ZINC000073315209 563172410 /nfs/dbraw/zinc/17/24/10/563172410.db2.gz MPHXGQOVVSEDPA-RUZDIDTESA-N 0 0 448.950 6.543 1 0 IKAFRN COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3cccc(F)c3)ccc2c1 ZINC000073314589 563172422 /nfs/dbraw/zinc/17/24/22/563172422.db2.gz PBFMMCDLLPTOOF-RUZDIDTESA-N 0 0 432.495 6.029 1 0 IKAFRN COc1cc(/C=C/c2ccc(/C=C/c3cc(OC)c(O)c(OC)c3)cc2)cc(OC)c1O ZINC000073385917 563172684 /nfs/dbraw/zinc/17/26/84/563172684.db2.gz RJHPARBTVGPJNN-WGDLNXRISA-N 0 0 434.488 5.473 1 0 IKAFRN c1ccc2[nH]c(-c3cccc(OCOc4cccc(-c5nc6ccccc6[nH]5)c4)c3)nc2c1 ZINC000082150230 563173115 /nfs/dbraw/zinc/17/31/15/563173115.db2.gz IXVJTWBOZCTKSB-UHFFFAOYSA-N 0 0 432.483 6.189 1 0 IKAFRN CCOC(=O)Sc1nc2cc(-n3nc(C(C)(C)C)sc3=O)c(Cl)cc2s1 ZINC000082151629 563173254 /nfs/dbraw/zinc/17/32/54/563173254.db2.gz KVVNFZJKTXKUQZ-UHFFFAOYSA-N 0 0 429.976 5.103 1 0 IKAFRN O=C(CCCOc1ccccc1)N[C@@H](Cc1ccccc1)c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000082154275 563173485 /nfs/dbraw/zinc/17/34/85/563173485.db2.gz QRGLUCCRRPFUSS-DEOSSOPVSA-N 0 0 443.522 5.475 1 0 IKAFRN Clc1cc2nc([C@@H]3CCCN3c3cc(NCC4CCCCC4)ncn3)[nH]c2cc1Cl ZINC000082154547 563173491 /nfs/dbraw/zinc/17/34/91/563173491.db2.gz KIMWEHQKUGORFU-IBGZPJMESA-N 0 0 445.398 5.993 1 0 IKAFRN O=C([O-])CC[NH2+]Cc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 ZINC000082154664 563173551 /nfs/dbraw/zinc/17/35/51/563173551.db2.gz ZLHUFFCLRCQOCD-UHFFFAOYSA-N 0 0 447.535 5.142 1 0 IKAFRN Nc1ccc(C2=NN(N=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2)cc1 ZINC000082157764 563173743 /nfs/dbraw/zinc/17/37/43/563173743.db2.gz RTVAGKKKGGOTMD-HSZRJFAPSA-N 0 0 426.455 5.093 1 0 IKAFRN CCc1cc(C[NH+]2CC(C(=O)[O-])C2)sc1-c1ncc(-c2ccc(C(C)C)c(C)c2)s1 ZINC000084618750 563174641 /nfs/dbraw/zinc/17/46/41/563174641.db2.gz XCCACOBCIHTRPK-UHFFFAOYSA-N 0 0 440.634 6.049 1 0 IKAFRN CC1(C)C=C2[C@H]3C[C@@H](O)[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]54C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000084632041 563174725 /nfs/dbraw/zinc/17/47/25/563174725.db2.gz HRTWPJAQIWMQIU-MJXRLWSSSA-N 0 0 442.728 7.140 1 0 IKAFRN CC1(C)Cc2cnn(-c3ccc(Br)cc3)c2-c2cc(Br)ccc21 ZINC000084619653 563174730 /nfs/dbraw/zinc/17/47/30/563174730.db2.gz NVCGDGWGDCBERL-UHFFFAOYSA-N 0 0 432.159 5.898 1 0 IKAFRN COc1ccc(Cn2c3ccccc3nc2N[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000084635330 563174792 /nfs/dbraw/zinc/17/47/92/563174792.db2.gz ZNQYFMWXTMEFJZ-KRWDZBQOSA-N 0 0 448.954 5.494 1 0 IKAFRN COc1cc([C@@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Nc2ccc(O)cc2)ccc1O ZINC000084670048 563175132 /nfs/dbraw/zinc/17/51/32/563175132.db2.gz MFLGIXPGSJMZOV-FQEVSTJZSA-N 0 0 443.459 5.236 1 0 IKAFRN CCC(=O)N[C@@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 ZINC000084670829 563175234 /nfs/dbraw/zinc/17/52/34/563175234.db2.gz XZBZPOIEJAJRKK-QGZVFWFLSA-N 0 0 430.335 5.586 1 0 IKAFRN Clc1cccc(Nc2ncnc3ccc(NCc4ccc5c(c4)OCCCCO5)cc32)c1 ZINC000084672361 563175609 /nfs/dbraw/zinc/17/56/09/563175609.db2.gz ZIWYLPCGKQEKRU-UHFFFAOYSA-N 0 0 446.938 6.190 1 0 IKAFRN Cn1cc([C@H]2N(c3ccccc3)C(=O)C2(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000084687522 563175738 /nfs/dbraw/zinc/17/57/38/563175738.db2.gz YEFOHEJJPKMHOO-MUUNZHRXSA-N 0 0 428.535 6.253 1 0 IKAFRN CCCCCCn1cc(COc2ccc3c(c2)O[C@H](c2ccc(OC)cc2)CC3=O)nn1 ZINC000084688119 563175983 /nfs/dbraw/zinc/17/59/83/563175983.db2.gz JYHKYVIGPWIZHU-DEOSSOPVSA-N 0 0 435.524 5.153 1 0 IKAFRN COc1cc(-c2nnc(SCc3ccccc3F)o2)ccc1OCc1ccccc1F ZINC000084688124 563175990 /nfs/dbraw/zinc/17/59/90/563175990.db2.gz MBXYTVIYWNWYIJ-UHFFFAOYSA-N 0 0 440.471 5.895 1 0 IKAFRN [NH3+][C@@H](CS[C@@](Cc1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000084706042 563176938 /nfs/dbraw/zinc/17/69/38/563176938.db2.gz SVYAJSPCPSKHJH-GMAHTHKFSA-N 0 0 446.399 5.625 1 0 IKAFRN CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000084707099 563177023 /nfs/dbraw/zinc/17/70/23/563177023.db2.gz QJSWWNTZMNLEOC-IBGZPJMESA-N 0 0 436.521 7.454 1 0 IKAFRN COc1cc([C@@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Nc2ccc(F)cc2)ccc1O ZINC000084709200 563177090 /nfs/dbraw/zinc/17/70/90/563177090.db2.gz LEHDNNIKPUNDDP-FQEVSTJZSA-N 0 0 445.450 5.669 1 0 IKAFRN Fc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c3cc(Cl)ccc3n2)cc1 ZINC000084710741 563177286 /nfs/dbraw/zinc/17/72/86/563177286.db2.gz ZZHVKUBGWNOTJO-UHFFFAOYSA-N 0 0 442.708 7.544 1 0 IKAFRN CC(=O)Oc1ccccc1C(=O)n1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1 ZINC000084710761 563177355 /nfs/dbraw/zinc/17/73/55/563177355.db2.gz OSVXOBHSYHGQNV-LJQANCHMSA-N 0 0 440.543 6.000 1 0 IKAFRN CC(=O)Oc1ccccc1C(=O)n1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000084710763 563177387 /nfs/dbraw/zinc/17/73/87/563177387.db2.gz OSVXOBHSYHGQNV-IBGZPJMESA-N 0 0 440.543 6.000 1 0 IKAFRN COc1cc([C@@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Nc2cccc(O)c2)ccc1O ZINC000084711647 563177537 /nfs/dbraw/zinc/17/75/37/563177537.db2.gz JXUIZGJYZFKPJU-FQEVSTJZSA-N 0 0 443.459 5.236 1 0 IKAFRN CC(C)(C)N(c1ccc([C@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1Cl ZINC000084711944 563177598 /nfs/dbraw/zinc/17/75/98/563177598.db2.gz VJIHIPNEMHPLDJ-SFHVURJKSA-N 0 0 435.895 5.104 1 0 IKAFRN CC(=O)c1c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2oc1-c1ccc(C)o1 ZINC000084712416 563177636 /nfs/dbraw/zinc/17/76/36/563177636.db2.gz AZRCMCYAOPFXOO-UHFFFAOYSA-N 0 0 441.483 6.789 1 0 IKAFRN CC(C)Cc1ccc([C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2Cl)cc1 ZINC000084713296 563177776 /nfs/dbraw/zinc/17/77/76/563177776.db2.gz BHWXTGUSZFCXBQ-SFHVURJKSA-N 0 0 437.414 7.742 1 0 IKAFRN CCOC(=O)c1sc2c(Br)c(Br)sc2c1C(F)(F)F ZINC000084725541 563178139 /nfs/dbraw/zinc/17/81/39/563178139.db2.gz IKTXXVIBAXATGY-UHFFFAOYSA-N 0 0 438.084 5.683 1 0 IKAFRN Cc1ccc(C(=O)c2c(N)scc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000084731647 563178651 /nfs/dbraw/zinc/17/86/51/563178651.db2.gz YBLGUCAHAJTMPY-UHFFFAOYSA-N 0 0 429.385 6.574 1 0 IKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3cccs3)ccc21 ZINC000084742014 563179197 /nfs/dbraw/zinc/17/91/97/563179197.db2.gz DHPYRYHIVANNAK-UHFFFAOYSA-N 0 0 446.660 7.259 1 0 IKAFRN Cc1c2ccccc2sc1C(=O)[C@@H]1C[C@H]1CN(Cc1ccccn1)Cc1ccccn1 ZINC000084742346 563179301 /nfs/dbraw/zinc/17/93/01/563179301.db2.gz YOQBFLWTYSXESO-WMZHIEFXSA-N 0 0 427.573 5.521 1 0 IKAFRN Clc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccco3)C2)cc1Cl ZINC000084757473 563179442 /nfs/dbraw/zinc/17/94/42/563179442.db2.gz PXKCOBDPSCOXKR-FQEVSTJZSA-N 0 0 440.355 7.066 1 0 IKAFRN COc1ccc2cc(-c3cn([C@@H](C)c4ccc5sc6ccccc6c5c4)nn3)ccc2c1 ZINC000084759238 563179715 /nfs/dbraw/zinc/17/97/15/563179715.db2.gz FNORUMINAWZISS-KRWDZBQOSA-N 0 0 435.552 7.084 1 0 IKAFRN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)Nc1ccccc1 ZINC000084759161 563179731 /nfs/dbraw/zinc/17/97/31/563179731.db2.gz JJFRFUYHILJQTG-SSZFMOIBSA-N 0 0 444.332 5.954 1 0 IKAFRN C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000084759242 563179738 /nfs/dbraw/zinc/17/97/38/563179738.db2.gz MIKNZGDJNUIZNI-IBGZPJMESA-N 0 0 431.564 7.589 1 0 IKAFRN O=C(Nc1ccc(F)cc1)N1CCc2c(F)cccc2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000084759617 563179833 /nfs/dbraw/zinc/17/98/33/563179833.db2.gz UBONJMYZAHEINW-OAQYLSRUSA-N 0 0 432.392 6.163 1 0 IKAFRN CCCc1nc2ccc(NC(=O)c3ccccc3C)cc2c(=O)n1Cc1cccc(Cl)c1 ZINC000084759397 563179851 /nfs/dbraw/zinc/17/98/51/563179851.db2.gz AINWOPCQJLJGDT-UHFFFAOYSA-N 0 0 445.950 5.611 1 0 IKAFRN Cc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)o1 ZINC000095546561 563180742 /nfs/dbraw/zinc/18/07/42/563180742.db2.gz IFEUWBHCHXKRPY-FYSMJZIKSA-N 0 0 437.561 6.337 1 0 aggregator IKAFRN CC(C)c1cc(-c2cc3ccccc3nc2N2CCCC2)cc2nc(N3CCCC3)ccc21 ZINC000095554826 563181167 /nfs/dbraw/zinc/18/11/67/563181167.db2.gz DSHIYQICPHMNAF-UHFFFAOYSA-N 0 0 436.603 6.774 1 0 IKAFRN C[NH+](C)CCOc1ccc(-c2ccc(OCC(=O)[O-])c(C(C)(C)C)c2)cc1C(C)(C)C ZINC000095555392 563181336 /nfs/dbraw/zinc/18/13/36/563181336.db2.gz BEMSTOKPAIAQKW-UHFFFAOYSA-N 0 0 427.585 5.352 1 0 IKAFRN CCOc1ccc2c(cc(-c3cc4ccccc4nc3N3CCOCC3)cc2C(C)C)n1 ZINC000095555491 563181361 /nfs/dbraw/zinc/18/13/61/563181361.db2.gz RSTOHUDMHLBFLR-UHFFFAOYSA-N 0 0 427.548 5.809 1 0 IKAFRN CCCOc1ccc2c(cc(-c3cc4ccccc4nc3N3CCCC3)cc2C(C)C)n1 ZINC000095557564 563181712 /nfs/dbraw/zinc/18/17/12/563181712.db2.gz CPMUXDFAKBVDBB-UHFFFAOYSA-N 0 0 425.576 6.962 1 0 IKAFRN CC(C)NC(=O)c1ccc2[nH]c(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)nc2c1 ZINC000095559130 563181850 /nfs/dbraw/zinc/18/18/50/563181850.db2.gz WDHILFGVZISYPO-UHFFFAOYSA-N 0 0 443.591 5.748 1 0 IKAFRN COc1ccc(-c2cc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)n[nH]2)cc1 ZINC000095559123 563181870 /nfs/dbraw/zinc/18/18/70/563181870.db2.gz MEQXGXGOGMJMSK-UHFFFAOYSA-N 0 0 444.539 5.521 1 0 IKAFRN Cc1nc(Cc2ccc(Cl)cc2)sc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000095559273 563181983 /nfs/dbraw/zinc/18/19/83/563181983.db2.gz YWEHWVXBTFPZHN-FQEVSTJZSA-N 0 0 435.401 6.128 1 0 IKAFRN COc1ccc(F)c(F)c1C1CCN(c2ccn3c(CC4CC4)nnc3c2Cl)CC1 ZINC000095559800 563182079 /nfs/dbraw/zinc/18/20/79/563182079.db2.gz JCAXAUNEKJYCFA-UHFFFAOYSA-N 0 0 432.902 5.006 1 0 IKAFRN Cc1cc(NCc2cccnc2)n2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c2n1 ZINC000095560232 563182178 /nfs/dbraw/zinc/18/21/78/563182178.db2.gz JDTSYLYDAXUMFL-UHFFFAOYSA-N 0 0 427.458 5.657 1 0 IKAFRN COc1c2c(ccc1[C@@H](C1CCCCC1)n1cnc3c1cccc3Cl)OC(C)(C)C=C2 ZINC000095562134 563182607 /nfs/dbraw/zinc/18/26/07/563182607.db2.gz IBOFKTAMAYMIBO-XMMPIXPASA-N 0 0 436.983 7.052 1 0 IKAFRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H]1SCC(=O)N1c1ccc(F)c(Cl)c1 ZINC000095562413 563182689 /nfs/dbraw/zinc/18/26/89/563182689.db2.gz KORFCYOHLKIMJB-LJQANCHMSA-N 0 0 439.364 6.343 1 0 IKAFRN Nc1c2c(nc3c1[C@H](c1c(Cl)cccc1Cl)c1ccc4ccccc4c1O3)CCCC2 ZINC000095562890 563182764 /nfs/dbraw/zinc/18/27/64/563182764.db2.gz UCYMJDLWIMOPFK-NRFANRHFSA-N 0 0 447.365 7.289 1 0 IKAFRN O=C(CSc1nncnc1-c1cccc2ccccc21)Nc1ccc(Cl)cc1Cl ZINC000095563351 563182928 /nfs/dbraw/zinc/18/29/28/563182928.db2.gz JOWPPMVSMPXVKU-UHFFFAOYSA-N 0 0 441.343 5.729 1 0 IKAFRN Cc1nn2c(nc(C)cc2N2CCC(C(=O)Nc3ccccc3)CC2)c1-c1ccc(C)cc1 ZINC000095563860 563183005 /nfs/dbraw/zinc/18/30/05/563183005.db2.gz WCHCQLJNQGWFRU-UHFFFAOYSA-N 0 0 439.563 5.177 1 0 IKAFRN Cc1cc(Br)cn2c(Cc3cccc(Cl)c3)c(-c3cccc(Cl)c3)nc12 ZINC000095564996 563183155 /nfs/dbraw/zinc/18/31/55/563183155.db2.gz HCXVPVAXJMJRRE-UHFFFAOYSA-N 0 0 446.175 6.970 3 0 IKAFRN CC(C)(C)[C@@H](c1nc2ccccc2[nH]1)n1c2ccccc2nc1-c1cc(Cl)cc(Cl)c1 ZINC000095567075 563183664 /nfs/dbraw/zinc/18/36/64/563183664.db2.gz SZHTZCGOTFUODV-JOCHJYFZSA-N 0 0 449.385 7.522 3 0 IKAFRN O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(Cl)c(Cl)c1)O[C@H](CCc1ccccc1)C2 ZINC000095567253 563183722 /nfs/dbraw/zinc/18/37/22/563183722.db2.gz AUMXPKIZKRMKRC-KUHUBIRLSA-N 0 0 433.360 5.403 3 0 IKAFRN O=c1c(-c2cccs2)nc2ccccc2n1[C@H](c1nc2ccccc2[nH]1)c1ccccn1 ZINC000095567989 563183819 /nfs/dbraw/zinc/18/38/19/563183819.db2.gz MNXJGFDFCWMODE-QHCPKHFHSA-N 0 0 435.512 5.034 3 0 IKAFRN Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccc2Br)c1C(=O)c1ccccc1 ZINC000095567820 563183837 /nfs/dbraw/zinc/18/38/37/563183837.db2.gz BGVCYTHKHUHCPM-UHFFFAOYSA-N 0 0 445.316 5.488 3 0 IKAFRN Cc1cc2nc(C(C)(C)C)c(Cc3ccccc3C(F)(F)F)n2c(C)c1Br ZINC000095568640 563183931 /nfs/dbraw/zinc/18/39/31/563183931.db2.gz HIZHNCFAIIKGAI-UHFFFAOYSA-N 0 0 439.319 6.621 3 0 IKAFRN CN(Cc1ccc(Cl)c(Cl)c1)[C@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C ZINC000095569106 563184012 /nfs/dbraw/zinc/18/40/12/563184012.db2.gz PIETVPGWYFWLJX-HXUWFJFHSA-N 0 0 444.366 5.703 3 0 IKAFRN CCCCCN1C(=O)c2cc(OC)ccc2[C@@]2(C(=O)OCC)Cc3cc(Cl)ccc3[C@@H]12 ZINC000095569286 563184082 /nfs/dbraw/zinc/18/40/82/563184082.db2.gz ILIAPRZDLMPCJJ-RDGATRHJSA-N 0 0 441.955 5.093 3 0 IKAFRN Cn1c2ccc(-c3ccc4cc[nH]c4c3)cc2c(Sc2ccccc2)c1-c1ccccc1 ZINC000095569757 563184158 /nfs/dbraw/zinc/18/41/58/563184158.db2.gz FVWSXKYYCAIXSH-UHFFFAOYSA-N 0 0 430.576 8.145 3 0 IKAFRN O=C(C[C@@H]1c2ccccc2C=C(c2ccsc2)N1c1ccc(-c2cccnc2)cc1)C1CC1 ZINC000095569814 563184251 /nfs/dbraw/zinc/18/42/51/563184251.db2.gz LXCKZAHMJGZYNC-MUUNZHRXSA-N 0 0 448.591 7.239 3 0 IKAFRN O=C(C[C@H]1c2ccccc2C=C(c2ccsc2)N1c1ccc(-c2cccnc2)cc1)C1CC1 ZINC000095569815 563184266 /nfs/dbraw/zinc/18/42/66/563184266.db2.gz LXCKZAHMJGZYNC-NDEPHWFRSA-N 0 0 448.591 7.239 3 0 IKAFRN COc1ccc(N2C(c3cc(OC)cc(OC)c3)=Cc3ccccc3[C@@H]2CC(C)=O)cc1 ZINC000095570590 563184306 /nfs/dbraw/zinc/18/43/06/563184306.db2.gz SCCJIXAPPLEMOE-MHZLTWQESA-N 0 0 429.516 5.751 3 0 IKAFRN COc1ccc(Cc2c(-c3ccccc3)nc3cc(C)c(Br)c(C)n32)c(C)c1 ZINC000095570693 563184332 /nfs/dbraw/zinc/18/43/32/563184332.db2.gz XTYPXAUTTWBVOA-UHFFFAOYSA-N 0 0 435.365 6.288 3 0 IKAFRN CC(C)(C)OC(=O)N1C(=O)[C@](OC(=O)c2ccccc2)(c2ccccc2)c2cccc(F)c21 ZINC000095570236 563184342 /nfs/dbraw/zinc/18/43/42/563184342.db2.gz JGFASPNDDOCPLS-SANMLTNESA-N 0 0 447.462 5.208 3 0 IKAFRN Brc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2)cc1 ZINC000095570920 563184424 /nfs/dbraw/zinc/18/44/24/563184424.db2.gz UXVGWGNGZGNHJN-UHFFFAOYSA-N 0 0 442.154 6.117 3 0 IKAFRN COc1ccc([C@H](C(=O)NCc2ccccc2)n2c3ccccc3nc2-c2ccccn2)cc1 ZINC000095571476 563184523 /nfs/dbraw/zinc/18/45/23/563184523.db2.gz TYSNLFPYTRSXDO-AREMUKBSSA-N 0 0 448.526 5.013 3 0 IKAFRN COc1cccc(-c2nc3c(cccc3Nc3ccc(-n4cnc(C)c4)c(OC)c3)n2C)c1 ZINC000095571794 563184598 /nfs/dbraw/zinc/18/45/98/563184598.db2.gz FYBNSZAREGIYIO-UHFFFAOYSA-N 0 0 439.519 5.495 1 0 IKAFRN COc1cc(-c2cn(C(F)(F)c3ccc(C(F)(F)F)cc3)nn2)ccc1-n1cnc(C)c1 ZINC000095571954 563184651 /nfs/dbraw/zinc/18/46/51/563184651.db2.gz WNMIAQGCACSTHG-UHFFFAOYSA-N 0 0 449.383 5.064 1 0 IKAFRN N=C1Sc2cc(-c3ccc4c(C(=O)C(F)(F)F)c[nH]c4c3)ccc2C2=NCCCN12 ZINC000095572016 563184656 /nfs/dbraw/zinc/18/46/56/563184656.db2.gz PLUQYCQKJLZEPT-UHFFFAOYSA-N 0 0 428.439 5.073 1 0 IKAFRN O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccccc2C3=O)ccc1F)c1ccoc1 ZINC000095572336 563184808 /nfs/dbraw/zinc/18/48/08/563184808.db2.gz YLGWYHSYMODPPY-UHFFFAOYSA-N 0 0 426.447 5.744 1 0 IKAFRN COC(=O)c1cc(NC(=O)/C=C/Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1O ZINC000095572218 563184810 /nfs/dbraw/zinc/18/48/10/563184810.db2.gz BZUJMAIYBRUMFM-CMDGGOBGSA-N 0 0 447.531 5.178 1 0 IKAFRN Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1Nc1ccc2c(c1)CCCCC2=O ZINC000095572775 563184827 /nfs/dbraw/zinc/18/48/27/563184827.db2.gz BEUWXOMBENPREJ-UHFFFAOYSA-N 0 0 440.587 7.198 1 0 IKAFRN O=C(Nc1ccccc1F)Oc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1Cl ZINC000095573708 563185141 /nfs/dbraw/zinc/18/51/41/563185141.db2.gz NBDSXZSUTNMFTQ-UHFFFAOYSA-N 0 0 445.321 6.696 1 0 IKAFRN CC(C)N1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc21 ZINC000095573439 563185148 /nfs/dbraw/zinc/18/51/48/563185148.db2.gz DRVQYSMKUKLERV-UHFFFAOYSA-N 0 0 443.334 5.451 1 0 IKAFRN COc1cccc(C(=O)Nc2cccc(Nc3ccc4c(c3)CCc3ccccc3C4=O)c2)c1 ZINC000095574484 563185322 /nfs/dbraw/zinc/18/53/22/563185322.db2.gz GNQSEOWOIQTSSC-UHFFFAOYSA-N 0 0 448.522 6.021 1 0 IKAFRN O=C(c1cncnc1Oc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21 ZINC000095574541 563185332 /nfs/dbraw/zinc/18/53/32/563185332.db2.gz BSHORRBKTIOXHU-UHFFFAOYSA-N 0 0 441.318 5.205 1 0 IKAFRN CCC[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000095575243 563185609 /nfs/dbraw/zinc/18/56/09/563185609.db2.gz HJEJGZGXMRYDDF-RUZDIDTESA-N 0 0 448.994 5.798 1 0 IKAFRN Cc1cccc(CCC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)c1 ZINC000095575238 563185615 /nfs/dbraw/zinc/18/56/15/563185615.db2.gz VLGRVUOWKUZYPP-RUZDIDTESA-N 0 0 441.015 5.128 1 0 IKAFRN CC(C)(C)c1cn(C[C@H](OCc2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)nn1 ZINC000095575603 563185712 /nfs/dbraw/zinc/18/57/12/563185712.db2.gz RVLKXGOBVHEOIO-IBGZPJMESA-N 0 0 438.786 6.494 1 0 IKAFRN COc1cc(Nc2cccn3c(C)c(-c4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1 ZINC000095575474 563185740 /nfs/dbraw/zinc/18/57/40/563185740.db2.gz QBIVBKHGSPOECV-UHFFFAOYSA-N 0 0 427.483 5.695 1 0 IKAFRN COc1cc2c(cc1OC)-c1c(-c3cncc(-n4ccc5ccccc54)c3)nc(C)n1CC2 ZINC000095575819 563185801 /nfs/dbraw/zinc/18/58/01/563185801.db2.gz UIPMLUMXEACAEX-UHFFFAOYSA-N 0 0 436.515 5.438 1 0 IKAFRN Cc1noc(-c2ccc3c(c2)c2c(n3CCCSc3ccc(F)c(F)c3)CCCC2)n1 ZINC000095576374 563185958 /nfs/dbraw/zinc/18/59/58/563185958.db2.gz VEXKZUIYFMPEOR-UHFFFAOYSA-N 0 0 439.531 6.339 1 0 IKAFRN Brc1cccc(N2CCN(c3nc(-c4ccccc4)nc4ccccc43)CC2)c1 ZINC000095577352 563186276 /nfs/dbraw/zinc/18/62/76/563186276.db2.gz JRKITCDJEPYXPX-UHFFFAOYSA-N 0 0 445.364 5.386 1 0 IKAFRN COC(=O)c1cccc(NC(=O)CCCOc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000095577597 563186346 /nfs/dbraw/zinc/18/63/46/563186346.db2.gz NJOQJRZPBIEPOU-UHFFFAOYSA-N 0 0 447.575 5.739 1 0 IKAFRN O=C(Nc1ccc(F)c(Nc2ccc3c(c2)OCc2ccccc2C3=O)c1)c1ccccc1 ZINC000095578812 563186782 /nfs/dbraw/zinc/18/67/82/563186782.db2.gz FCMFOLRVCBOEKL-UHFFFAOYSA-N 0 0 438.458 5.945 1 0 IKAFRN C/C=C/[C@@H]1[C@H]2C[C@@H](C)CC[C@@H]2C(C)=C[C@H]1c1noc2c1c(=O)[nH]cc2-c1ccc(O)cc1 ZINC000095579336 563186989 /nfs/dbraw/zinc/18/69/89/563186989.db2.gz QRSSXLXIVZKLFD-RFKCMYLBSA-N 0 0 430.548 6.177 1 0 IKAFRN COc1cc(Nc2nccc3c2nc(-c2ccc(F)cc2)n3C)ccc1-n1cnc(C)c1 ZINC000095579629 563187041 /nfs/dbraw/zinc/18/70/41/563187041.db2.gz GDJPLNOSDZIINK-UHFFFAOYSA-N 0 0 428.471 5.021 1 0 IKAFRN COC(=O)c1cccc(NC(=O)/C=C/Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000095579721 563187060 /nfs/dbraw/zinc/18/70/60/563187060.db2.gz LPLIRUZJZGGXSY-MDZDMXLPSA-N 0 0 431.532 5.472 1 0 IKAFRN Cc1cccc(C(=O)Nc2cccc(Nc3ccc4c(c3)OCc3ccccc3C4=O)c2)c1 ZINC000095579881 563187184 /nfs/dbraw/zinc/18/71/84/563187184.db2.gz BMIWRHHOKFXGQT-UHFFFAOYSA-N 0 0 434.495 6.114 1 0 IKAFRN O=C(Nc1cccnc1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl ZINC000095583604 563188361 /nfs/dbraw/zinc/18/83/61/563188361.db2.gz BZLSDHAANGWDOG-UHFFFAOYSA-N 0 0 442.224 6.844 1 0 IKAFRN CC(=O)CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095584868 563188608 /nfs/dbraw/zinc/18/86/08/563188608.db2.gz FZFGCHDSMBOXHM-VCRDOGAPSA-N 0 0 431.661 5.128 1 0 IKAFRN COCCCCCCCCCCCCCc1cc2cn([C@@H]3CC[C@H](CO)O3)c(=O)nc2o1 ZINC000095585777 563189054 /nfs/dbraw/zinc/18/90/54/563189054.db2.gz CIWJVMLNOQFKTF-PKTZIBPZSA-N 0 0 448.604 5.139 1 0 IKAFRN Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000095586485 563189224 /nfs/dbraw/zinc/18/92/24/563189224.db2.gz NWLPWXWFLGAKIV-QGZVFWFLSA-N 0 0 445.350 5.590 1 0 IKAFRN Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCC[C@H]1c1cccnc1 ZINC000095586778 563189263 /nfs/dbraw/zinc/18/92/63/563189263.db2.gz ULAOIKVMGZONFX-INIZCTEOSA-N 0 0 431.323 5.200 1 0 IKAFRN Cc1nn(C)c(Oc2ccccc2C(F)(F)F)c1C(=O)N1CCCC[C@H]1c1cccnc1 ZINC000095586700 563189310 /nfs/dbraw/zinc/18/93/10/563189310.db2.gz DQWNTGMOUIJOAL-SFHVURJKSA-N 0 0 444.457 5.302 1 0 IKAFRN Cc1nn(C)c(Oc2cccc(Cl)c2F)c1C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000095587086 563189329 /nfs/dbraw/zinc/18/93/29/563189329.db2.gz FOEJMROPHNSOJI-QGZVFWFLSA-N 0 0 428.895 5.076 1 0 IKAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(SC(F)(F)F)c(Cl)c1 ZINC000095589342 563189548 /nfs/dbraw/zinc/18/95/48/563189548.db2.gz AFLDUUNWBASNQO-UHFFFAOYSA-N 0 0 430.757 6.495 1 0 IKAFRN O=C(c1ccc(C(=O)C(F)(F)F)cc1)N1CCOc2ccc(-c3ccccc3)cc2C1 ZINC000095589419 563189611 /nfs/dbraw/zinc/18/96/11/563189611.db2.gz CTCFXGJHWAKIKY-UHFFFAOYSA-N 0 0 425.406 5.133 1 0 IKAFRN COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000095589774 563189699 /nfs/dbraw/zinc/18/96/99/563189699.db2.gz PHVKEPWPEVNNRD-ZBSWGVEPSA-N 0 0 435.564 5.401 1 0 IKAFRN CCOC(=O)c1cc(C(=O)N2c3ccccc3Sc3ccccc32)n2c1cccc2C ZINC000095589699 563189715 /nfs/dbraw/zinc/18/97/15/563189715.db2.gz BPDVBLBEFYAWNL-UHFFFAOYSA-N 0 0 428.513 5.868 1 0 IKAFRN Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC[C@H]1c1ccccn1 ZINC000095590183 563189957 /nfs/dbraw/zinc/18/99/57/563189957.db2.gz DLOKLLBFOFNGSM-KRWDZBQOSA-N 0 0 445.350 5.590 1 0 IKAFRN CCCc1cccc(-c2c(NC(=O)[C@@H]3C[C@H]3C)snc2-c2ccc3nn(C)cc3c2)n1 ZINC000095590397 563189965 /nfs/dbraw/zinc/18/99/65/563189965.db2.gz DMJNZMXZSQWBRT-RDTXWAMCSA-N 0 0 431.565 5.306 1 0 in-vitro IKAFRN Cc1nn(C)c(Oc2cc(Cl)ccc2Cl)c1C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000095590480 563189969 /nfs/dbraw/zinc/18/99/69/563189969.db2.gz BXFQASYRUBERCT-GOSISDBHSA-N 0 0 445.350 5.590 1 0 IKAFRN Cc1cccn2c1nc(-c1ccc(F)cc1)c2[C@@H]1CC(c2ccc(Cl)cc2)=NC(=S)N1 ZINC000095590258 563189990 /nfs/dbraw/zinc/18/99/90/563189990.db2.gz ZPCIKWDXGUTROP-FQEVSTJZSA-N 0 0 448.954 5.662 1 0 IKAFRN COc1ccc([C@@H]2CC(/C=C/[C@@H]3C(C)=CCCC3(C)C)=NN2c2ccccc2)cc1OC ZINC000095590683 563190117 /nfs/dbraw/zinc/19/01/17/563190117.db2.gz INOPVHOGYZEOKN-AWRZONTFSA-N 0 0 430.592 6.950 1 0 IKAFRN COc1ccc([C@@H]2CC(/C=C/C3=C(C)CCCC3(C)C)=NN2c2ccccc2)cc1OC ZINC000095590602 563190121 /nfs/dbraw/zinc/19/01/21/563190121.db2.gz KEWZAVILPUNPLX-MIFWMJNYSA-N 0 0 430.592 7.094 1 0 IKAFRN CC[C@H](C)N(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl ZINC000095592110 563190445 /nfs/dbraw/zinc/19/04/45/563190445.db2.gz QRKDKZKWZYMXRV-AWEZNQCLSA-N 0 0 447.366 5.664 1 0 IKAFRN CC[C@@H](C)N(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl ZINC000095592109 563190452 /nfs/dbraw/zinc/19/04/52/563190452.db2.gz QRKDKZKWZYMXRV-CQSZACIVSA-N 0 0 447.366 5.664 1 0 IKAFRN COc1cc(OC)c2c(=O)cc(-c3ccc(Cl)cc3Cl)oc2c1-c1ccnn1C ZINC000095592267 563190459 /nfs/dbraw/zinc/19/04/59/563190459.db2.gz OEGLOMFTKPTNGT-UHFFFAOYSA-N 0 0 431.275 5.185 1 0 IKAFRN COc1cc(Sc2c3ccccc3[nH]c2-c2cccc3ccccc32)cc(OC)c1OC ZINC000095593227 563190627 /nfs/dbraw/zinc/19/06/27/563190627.db2.gz RPHPYSMGYYFTQW-UHFFFAOYSA-N 0 0 441.552 7.165 1 0 IKAFRN COc1cc(Sc2c3ccccc3[nH]c2-c2cc3ccccc3[nH]2)cc(OC)c1OC ZINC000095593039 563190632 /nfs/dbraw/zinc/19/06/32/563190632.db2.gz GXDYNZBEIKQOHE-UHFFFAOYSA-N 0 0 430.529 6.493 1 0 IKAFRN O=c1c(Oc2ccc(OC(F)(F)F)cc2)c(Cl)cnn1Cc1cccc2ccccc21 ZINC000095593612 563190800 /nfs/dbraw/zinc/19/08/00/563190800.db2.gz YRPTUMFENPDOLK-UHFFFAOYSA-N 0 0 446.812 5.789 1 0 IKAFRN CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(-c3ccccc3)nn(C)c21 ZINC000095595121 563191214 /nfs/dbraw/zinc/19/12/14/563191214.db2.gz YSCQWHZQNIOJFL-UHFFFAOYSA-N 0 0 434.584 5.045 1 0 IKAFRN COc1cc(Sc2c3ccccc3[nH]c2-c2cc3ccccc3o2)cc(OC)c1OC ZINC000095596402 563191524 /nfs/dbraw/zinc/19/15/24/563191524.db2.gz DZVBDDXOPBRMEQ-UHFFFAOYSA-N 0 0 431.513 6.758 1 0 IKAFRN CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095596886 563191695 /nfs/dbraw/zinc/19/16/95/563191695.db2.gz PUZODRXERPKEFT-JOCHJYFZSA-N 0 0 433.552 5.275 1 0 IKAFRN c1ccc2c(c1)c1ccncc1n2CCCCCCCn1c2ccccc2c2ccncc21 ZINC000095597320 563191878 /nfs/dbraw/zinc/19/18/78/563191878.db2.gz CZWFZLRTFRPMIB-UHFFFAOYSA-N 0 0 432.571 7.343 1 0 IKAFRN COc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000095597451 563191898 /nfs/dbraw/zinc/19/18/98/563191898.db2.gz XEQYFXLFTUREFS-ZEQKJWHPSA-N 0 0 437.568 6.347 1 0 IKAFRN COc1cc(/C=C2\CCCN3C2=NOCC[C@@H]3c2cccc(F)c2)ccc1-n1cnc(C)c1 ZINC000095597913 563191969 /nfs/dbraw/zinc/19/19/69/563191969.db2.gz VOAVANGLSKPOPN-FJWZAKCXSA-N 0 0 446.526 5.283 1 0 IKAFRN Brc1ccc(/C=C/c2nnc(SC3CCCC3)n2-c2ccccc2)cc1 ZINC000095597794 563191988 /nfs/dbraw/zinc/19/19/88/563191988.db2.gz NXASTIHSMLUFHL-NTCAYCPXSA-N 0 0 426.383 6.235 1 0 IKAFRN CSCC[C@@H](C(=O)Nc1c(C)cccc1C)n1c2ccccc2nc1-c1cnc(C)cn1 ZINC000095599314 563192466 /nfs/dbraw/zinc/19/24/66/563192466.db2.gz QNKGBTRWSKNPEJ-QFIPXVFZSA-N 0 0 445.592 5.351 3 0 IKAFRN CSCC[C@@H](c1nc2ccccc2[nH]1)n1c2ccccc2nc1-c1ccc2ncccc2c1 ZINC000095599662 563192522 /nfs/dbraw/zinc/19/25/22/563192522.db2.gz GKNRRUGPQFNDKA-VWLOTQADSA-N 0 0 449.583 6.470 3 0 IKAFRN COc1ccc([C@H](C(=O)NC2CCCC2)n2c3ccccc3nc2-c2cccs2)cc1 ZINC000095600380 563192542 /nfs/dbraw/zinc/19/25/42/563192542.db2.gz DJWPMMQBIJHEAD-HSZRJFAPSA-N 0 0 431.561 5.422 3 0 IKAFRN O=C([C@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1cccnc1 ZINC000095601078 563192719 /nfs/dbraw/zinc/19/27/19/563192719.db2.gz AVVFFRHSJVMZKQ-FGZHOGPDSA-N 0 0 443.444 5.756 1 0 IKAFRN Cc1ccc(C2=C[C@@H](c3c4cc(C)ccc4[nH]c3-c3ccccc3)c3c(=O)[nH]cnc3O2)cc1 ZINC000095601586 563192882 /nfs/dbraw/zinc/19/28/82/563192882.db2.gz FMYRQEDBCGLKNT-QFIPXVFZSA-N 0 0 445.522 6.100 1 0 IKAFRN Nc1[nH]nc2c1[C@@H](c1c3cc(Cl)ccc3[nH]c1-c1ccccc1)C=C(c1ccccc1)O2 ZINC000095601482 563192903 /nfs/dbraw/zinc/19/29/03/563192903.db2.gz HPJYVHZMCWTRIC-LJQANCHMSA-N 0 0 438.918 6.359 1 0 IKAFRN O=C([C@H](Nc1ccccc1F)c1cc2ccccc2s1)N1CCC[C@H]1c1cccnc1 ZINC000095601528 563192905 /nfs/dbraw/zinc/19/29/05/563192905.db2.gz GWVXTQJIYAYAEZ-XUZZJYLKSA-N 0 0 431.536 5.952 1 0 IKAFRN C[C@@H](C(=O)NCc1ccccc1)n1c(CSCCOc2ccccc2)nc2ccccc21 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ZINC000098081940 563200454 /nfs/dbraw/zinc/20/04/54/563200454.db2.gz PSCVKOQPIDCCCY-UHFFFAOYSA-N 0 0 439.548 5.794 1 0 IKAFRN O=C1CCS[C@@H](c2ccccc2F)N1CCCNc1ccnc2cc(Cl)ccc21 ZINC000098082201 563200483 /nfs/dbraw/zinc/20/04/83/563200483.db2.gz RVNTXHHIMGEMRS-QFIPXVFZSA-N 0 0 429.948 5.494 1 0 IKAFRN Cc1ccc([C@@H]2SCCC(=O)N2CCCNc2ccnc3cc(Cl)ccc32)s1 ZINC000098082199 563200525 /nfs/dbraw/zinc/20/05/25/563200525.db2.gz OUVUSZINAHHNQD-NRFANRHFSA-N 0 0 432.014 5.724 1 0 IKAFRN Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4n[nH]c(=S)n4C=N[C@H]32)cc1 ZINC000098082902 563200726 /nfs/dbraw/zinc/20/07/26/563200726.db2.gz OJXFVBXACVEKKL-VWNXMTODSA-N 0 0 435.556 5.638 1 0 IKAFRN CC(C)=C(CC/C(C)=C/CCC1=C(C)CC[C@]2(C)CCC(C)(C)C[C@@H]12)[C@@H](C)CCCO ZINC000013382798 571700065 /nfs/dbraw/zinc/70/00/65/571700065.db2.gz KIXZDOGILWAHJH-ASGXQCJRSA-N 0 0 428.745 9.181 1 0 endogenous,in-man IKAFRN CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)C4=CC[C@]5(C)CCC(C)(C)C[C@H]5[C@]4(C)CC[C@H]23)C1(C)C ZINC000014720431 571722072 /nfs/dbraw/zinc/72/20/72/571722072.db2.gz MJIBQQFDNJYZGY-OFSYPKAFSA-N 0 0 440.756 8.823 1 0 endogenous,in-man IKAFRN CC1(C)CC[C@]2(C)CC=C3[C@@](C)(CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@@H]2C1 ZINC000014720417 571722160 /nfs/dbraw/zinc/72/21/60/571722160.db2.gz GGGUGZHBAOMSFJ-AFZINJQDSA-N 0 0 426.729 8.169 1 0 endogenous,in-man IKAFRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC(CO)CO ZINC000032840879 571745498 /nfs/dbraw/zinc/74/54/98/571745498.db2.gz WMUDCZHZTVTGRX-KUBAVDMBSA-N 0 0 430.629 6.141 1 0 endogenous,in-man IKAFRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CO)O2 ZINC000085588872 571783699 /nfs/dbraw/zinc/78/36/99/571783699.db2.gz URYLCCKXLNXSRS-PVGLJACCSA-N 0 0 446.716 7.813 1 0 endogenous,in-man IKAFRN C[C@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@@H]1C ZINC000095619521 571798272 /nfs/dbraw/zinc/79/82/72/571798272.db2.gz FSLPMRQHCOLESF-SFLOXAISSA-N 0 0 426.729 8.025 1 0 endogenous,in-man IKAFRN CC1=CC[C@]2(C)CC[C@]3(C)[C@H]([C@H](O)C[C@@H]4[C@@]3(C)CC[C@H]3C(C)(C)CCC[C@@]34C)[C@@H]2[C@H]1C ZINC000095619537 571798872 /nfs/dbraw/zinc/79/88/72/571798872.db2.gz VBUWOXTVZDSTHP-CDYUOMGPSA-N 0 0 426.729 8.025 1 0 endogenous,in-man IKAFRN C/C(=C\CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12)CC[C@H]1C(C)=CC[C@H](O)C1(C)C ZINC000100776882 571822697 /nfs/dbraw/zinc/82/26/97/571822697.db2.gz HRQSDUTTZIHWJQ-VNVDKWRMSA-N 0 0 426.729 8.789 1 0 endogenous,in-man IKAFRN CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(C)CC[C@]23C)C1(C)C ZINC000100777648 571824610 /nfs/dbraw/zinc/82/46/10/571824610.db2.gz YZBNXQLCEJJXSC-VDPZWIOLSA-N 0 0 440.756 8.823 1 0 endogenous,in-man IKAFRN CO[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@@]4(C)CC[C@]23C)C1(C)C ZINC000100777654 571825124 /nfs/dbraw/zinc/82/51/24/571825124.db2.gz YZBNXQLCEJJXSC-NEIZHQIMSA-N 0 0 440.756 8.823 1 0 endogenous,in-man IKAFRN 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/nfs/dbraw/zinc/95/85/74/562958574.db2.gz NPCCFKCIOYUBAU-SANMLTNESA-N 0 0 435.520 5.594 1 0 IKAFRN CCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1 ZINC000008666545 562960499 /nfs/dbraw/zinc/96/04/99/562960499.db2.gz UHTIWBHXAFJXMT-UHFFFAOYSA-N 0 0 432.571 5.465 3 0 aggregator IKAFRN Cc1nc(NC(=O)c2cccc(Cl)c2)sc1-c1csc(Nc2ccc(C)cc2)n1 ZINC000008672349 562961065 /nfs/dbraw/zinc/96/10/65/562961065.db2.gz BDECMRCLKKDNOU-UHFFFAOYSA-N 0 0 440.981 6.533 3 0 IKAFRN CC[C@@H](C)C(=O)Nc1nc(C)c(-c2csc(Nc3cc(Cl)ccc3OC)n2)s1 ZINC000008691909 562963531 /nfs/dbraw/zinc/96/35/31/562963531.db2.gz CBDGQHZIRPOZGM-SNVBAGLBSA-N 0 0 436.990 5.965 3 0 IKAFRN CCOc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 ZINC000009433006 562970861 /nfs/dbraw/zinc/97/08/61/562970861.db2.gz DFBRJQZXOINNSB-ZEQRLZLVSA-N 0 0 448.588 5.722 1 0 IKAFRN CC(=O)c1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 ZINC000009433253 562970869 /nfs/dbraw/zinc/97/08/69/562970869.db2.gz BXOLYWPJAPOLPY-BJKOFHAPSA-N 0 0 446.572 5.526 1 0 IKAFRN O=C(Nc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433350 562970935 /nfs/dbraw/zinc/97/09/35/562970935.db2.gz XELRZKLHDKDYAD-DHIUTWEWSA-N 0 0 434.536 5.749 1 0 IKAFRN O=C(Nc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433348 562970940 /nfs/dbraw/zinc/97/09/40/562970940.db2.gz XELRZKLHDKDYAD-PKTZIBPZSA-N 0 0 434.536 5.749 1 0 IKAFRN CC(=O)c1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 ZINC000009433254 562970943 /nfs/dbraw/zinc/97/09/43/562970943.db2.gz BXOLYWPJAPOLPY-ZEQRLZLVSA-N 0 0 446.572 5.526 1 0 IKAFRN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1 ZINC000009433640 562970987 /nfs/dbraw/zinc/97/09/87/562970987.db2.gz DGVWBPFNDGANNQ-DNQXCXABSA-N 0 0 446.572 5.619 1 0 IKAFRN Cc1ccc2occ([C@@H]3C(C(=O)OC4CCCC4)=C(C)NC4=C3C(=O)CCC4)c(=O)c2c1 ZINC000009778573 562976831 /nfs/dbraw/zinc/97/68/31/562976831.db2.gz BPMBNZKZZFXDON-HSZRJFAPSA-N 0 0 433.504 5.395 1 0 IKAFRN O=C(Cc1ccncc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(F)cnc32)CC1 ZINC000011524364 562978789 /nfs/dbraw/zinc/97/87/89/562978789.db2.gz XKXXDJJRXOFWSY-UHFFFAOYSA-N 0 0 447.941 5.035 1 0 IKAFRN COc1ccc(C(=O)c2c3cc(-c4ccc(OC)cc4)ccc3oc2-c2ccsc2)cc1 ZINC000012476985 562982283 /nfs/dbraw/zinc/98/22/83/562982283.db2.gz CPJABMJIDBLPQT-UHFFFAOYSA-N 0 0 440.520 7.077 3 0 IKAFRN C[C@]12C(=O)N(c3ccc(Cl)cc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000012477593 562982290 /nfs/dbraw/zinc/98/22/90/562982290.db2.gz JJUQJPGXLLDOOK-DNRBGDKYSA-N 0 0 444.918 5.415 3 0 IKAFRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)CC(c2ccccc2Br)=NO1 ZINC000012477384 562982310 /nfs/dbraw/zinc/98/23/10/562982310.db2.gz LBNCBMFXKHLLFM-FQEVSTJZSA-N 0 0 447.785 6.574 3 0 IKAFRN Cc1nc(C(=O)Nc2cc(F)cc(Cl)c2)sc1[C@@]1(C)CC(c2ccccc2)=NO1 ZINC000012726804 562983084 /nfs/dbraw/zinc/98/30/84/562983084.db2.gz TXRJUIDMINTBRJ-OAQYLSRUSA-N 0 0 429.904 5.536 3 0 IKAFRN COc1cc(Br)cc2cc(-c3cn4c(n3)sc3ccccc34)c(=O)oc21 ZINC000012947883 562983620 /nfs/dbraw/zinc/98/36/20/562983620.db2.gz LQBMMXPHDIWWHQ-UHFFFAOYSA-N 0 0 427.279 5.094 1 0 IKAFRN O=C(c1c2ccccc2n(C(=O)c2ccccc2)c1C[C@@H](O)c1ccccn1)c1ccccc1 ZINC000013000764 562983895 /nfs/dbraw/zinc/98/38/95/562983895.db2.gz JTWDDFZOTHKNSI-AREMUKBSSA-N 0 0 446.506 5.232 1 0 IKAFRN CC[C@H](C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)cc1 ZINC000013025377 562984232 /nfs/dbraw/zinc/98/42/32/562984232.db2.gz KMPOAXYUGWTIIV-DFBJGRDBSA-N 0 0 445.563 5.635 3 0 IKAFRN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3cccc(F)c3)ccc2C)c(C)c1 ZINC000013121695 562984710 /nfs/dbraw/zinc/98/47/10/562984710.db2.gz UMORRMOJRUGTNW-FMIVXFBMSA-N 0 0 438.524 5.204 3 0 IKAFRN CCC/C=C(\CCC)[C@@H](NC(=O)c1ccc(C(=O)OC)cc1)c1ccc(C(=O)OC)cc1 ZINC000013123407 562984732 /nfs/dbraw/zinc/98/47/32/562984732.db2.gz NKJNKSSHBFOMDJ-VULPMGHGSA-N 0 0 437.536 5.258 3 0 IKAFRN COc1cc(Cn2c3ccccc3c3cc(CO)cc(OC)c32)cc2c3ccccc3[nH]c21 ZINC000013378348 562985884 /nfs/dbraw/zinc/98/58/84/562985884.db2.gz ORBVDSSXNGYTRX-UHFFFAOYSA-N 0 0 436.511 5.987 1 0 IKAFRN O=C(NCc1ccc(Cc2c[nH]cn2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013439947 562986244 /nfs/dbraw/zinc/98/62/44/562986244.db2.gz ZDXOSPCICVVJEN-UHFFFAOYSA-N 0 0 442.363 5.360 1 0 IKAFRN CC(=O)N1CCc2c(sc(NC(=O)C3CCCCC3)c2C(=O)c2ccccc2Cl)C1 ZINC000013442697 562986552 /nfs/dbraw/zinc/98/65/52/562986552.db2.gz BSRURWDIYOOERX-UHFFFAOYSA-N 0 0 444.984 5.056 1 0 IKAFRN CCCOc1ccc(Sc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)cc2)cc1 ZINC000013442529 562986581 /nfs/dbraw/zinc/98/65/81/562986581.db2.gz CYOCXZGBQXNENU-UHFFFAOYSA-N 0 0 438.597 6.302 1 0 IKAFRN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000013448401 562987095 /nfs/dbraw/zinc/98/70/95/562987095.db2.gz JPCDJRWYILWBRO-GXGJKQSKSA-N 0 0 429.608 5.591 1 0 IKAFRN Cc1ccc2c3c(ccc(NCc4ccc(S(=O)(=O)c5ccccc5)cc4)c31)NC2=O ZINC000013450190 562987203 /nfs/dbraw/zinc/98/72/03/562987203.db2.gz PZDIQYHHLWQYDQ-UHFFFAOYSA-N 0 0 428.513 5.159 1 0 IKAFRN CCN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc31)C(=O)N2 ZINC000013450155 562987211 /nfs/dbraw/zinc/98/72/11/562987211.db2.gz SXPJTXMZJWXDHQ-UHFFFAOYSA-N 0 0 442.540 5.265 1 0 IKAFRN Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1 ZINC000013472873 562988155 /nfs/dbraw/zinc/98/81/55/562988155.db2.gz ORFZPLKMZALKSH-UHFFFAOYSA-N 0 0 429.351 5.285 1 0 IKAFRN Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000013472848 562988170 /nfs/dbraw/zinc/98/81/70/562988170.db2.gz JDFAIQMMRYUITC-UHFFFAOYSA-N 0 0 429.351 5.285 1 0 IKAFRN CC(=O)n1c2ccccc2c2c1CN(CCCC[C@@]13CCCc4cccc(c41)NC3=O)CC2 ZINC000013473731 562988476 /nfs/dbraw/zinc/98/84/76/562988476.db2.gz FNLVSYVCTGWSJL-MUUNZHRXSA-N 0 0 441.575 5.056 1 0 IKAFRN C[S@](=O)c1ccc(CSc2ncc(-c3ccncc3)c(-c3ccc(F)cc3)n2)cc1 ZINC000013474285 562988654 /nfs/dbraw/zinc/98/86/54/562988654.db2.gz JYLXRBYSIRVXBG-SSEXGKCCSA-N 0 0 435.549 5.374 1 0 IKAFRN COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)c2c1OC1(CCCC1)C2 ZINC000013474126 562988687 /nfs/dbraw/zinc/98/86/87/562988687.db2.gz KWSQCXSDPNEXCF-RBBKRZOGSA-N 0 0 448.607 5.794 1 0 IKAFRN CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2[C@@H]1O3 ZINC000013474849 562988782 /nfs/dbraw/zinc/98/87/82/562988782.db2.gz XQLXDIIVOCDWBZ-VWLOTQADSA-N 0 0 434.536 5.145 1 0 IKAFRN COC(=O)c1cc(-c2ccccc2F)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487096 562989339 /nfs/dbraw/zinc/98/93/39/562989339.db2.gz CKHXIJJHJJBNBX-UHFFFAOYSA-N 0 0 445.277 5.947 1 0 IKAFRN COc1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487114 562989346 /nfs/dbraw/zinc/98/93/46/562989346.db2.gz ITPHWFJOXJNDMV-UHFFFAOYSA-N 0 0 433.722 6.684 1 0 IKAFRN COC(=O)c1cc(-c2cccc(C)c2)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487106 562989357 /nfs/dbraw/zinc/98/93/57/562989357.db2.gz JBQYDXOAVMMKAL-UHFFFAOYSA-N 0 0 441.314 6.117 1 0 IKAFRN Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3cccc(C(F)(F)F)c3)c3ccc(C)cc32)cc1 ZINC000013490223 562990207 /nfs/dbraw/zinc/99/02/07/562990207.db2.gz GEQRNVLJQABVRV-JPYJTQIMSA-N 0 0 438.493 6.914 1 0 IKAFRN COc1cc2c(cc1OC1CCCC1)ncnc2Nc1cccc(-c2csc(C)n2)c1 ZINC000013490849 562990269 /nfs/dbraw/zinc/99/02/69/562990269.db2.gz VVCPCPIWRDBMHA-UHFFFAOYSA-N 0 0 432.549 6.135 1 0 IKAFRN CCOc1cc2ncnc(Nc3cc(-c4csc(C)n4)ccc3OC)c2cc1OCC ZINC000013490811 562990291 /nfs/dbraw/zinc/99/02/91/562990291.db2.gz MAHBNEYEZQFLEE-UHFFFAOYSA-N 0 0 436.537 5.611 1 0 IKAFRN C[S@](=O)c1ccc(CSc2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000013491672 562990504 /nfs/dbraw/zinc/99/05/04/562990504.db2.gz BXPRVORBTUKYAU-GDLZYMKVSA-N 0 0 439.993 5.822 1 0 IKAFRN Fc1cccc(F)c1Cn1c2cccc(Br)c2nc1-c1c(F)cccc1F ZINC000013518723 562991111 /nfs/dbraw/zinc/99/11/11/562991111.db2.gz HHDJQBCGFBYCBT-UHFFFAOYSA-N 0 0 435.218 6.071 1 0 IKAFRN Nc1sc(Br)c(-c2ccc(-c3ccccc3)cc2)c1C(=O)c1ccccc1 ZINC000013518393 562991120 /nfs/dbraw/zinc/99/11/20/562991120.db2.gz YGDOSJDDFDCTHX-UHFFFAOYSA-N 0 0 434.358 6.658 1 0 IKAFRN C[C@](O)(c1ccncc1Cl)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000013528418 562991851 /nfs/dbraw/zinc/99/18/51/562991851.db2.gz PSFZJORHXRNDIL-ZOFVCDQTSA-N 0 0 432.048 5.962 1 0 IKAFRN Cc1ccc(-c2c(-c3cccs3)nc3ncnc(N)c3c2-c2ccc(C)c(F)c2)cc1F ZINC000013529843 562991965 /nfs/dbraw/zinc/99/19/65/562991965.db2.gz SGKWBFDQCJDIDV-UHFFFAOYSA-N 0 0 444.510 6.565 1 0 IKAFRN CC(C)(C)CCNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)n[nH]c21 ZINC000013531370 562992035 /nfs/dbraw/zinc/99/20/35/562992035.db2.gz YHJHXDKMIKHYBU-UHFFFAOYSA-N 0 0 441.384 5.519 1 0 IKAFRN O=C(Nc1ccc(C(=O)N2CCCCc3occc32)cc1)c1ccccc1-c1ccccc1 ZINC000013532160 562992218 /nfs/dbraw/zinc/99/22/18/562992218.db2.gz DZGOBTYEFOVIMZ-UHFFFAOYSA-N 0 0 436.511 6.182 1 0 IKAFRN Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)Nc4ccccc4)sc3c2)c(C)c1 ZINC000013534011 562992237 /nfs/dbraw/zinc/99/22/37/562992237.db2.gz UIIPZCQZMVEWSM-UHFFFAOYSA-N 0 0 430.533 6.118 1 0 IKAFRN CCC(C)(C)NC(=O)Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1 ZINC000013534081 562992240 /nfs/dbraw/zinc/99/22/40/562992240.db2.gz LRERLLZYIBTVDW-UHFFFAOYSA-N 0 0 430.961 5.821 1 0 IKAFRN Cc1cc(CO)cc(C)c1NC(=O)c1ccc2[nH]c(=NC(=O)OC(C)(C)C)sc2c1 ZINC000013533882 562992245 /nfs/dbraw/zinc/99/22/45/562992245.db2.gz ZNORMCPKLRFSLP-UHFFFAOYSA-N 0 0 427.526 5.005 1 0 IKAFRN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Nc3ccccc32)cc1 ZINC000013534498 562992336 /nfs/dbraw/zinc/99/23/36/562992336.db2.gz WAEMSRXKPZPDLP-UHFFFAOYSA-N 0 0 433.511 6.151 1 0 IKAFRN O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Cl ZINC000013534538 562992348 /nfs/dbraw/zinc/99/23/48/562992348.db2.gz UMCJOYNETNUIDU-UHFFFAOYSA-N 0 0 441.918 5.603 1 0 IKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3ccnc(Cl)n3)sc2c1 ZINC000013536613 562992428 /nfs/dbraw/zinc/99/24/28/562992428.db2.gz NFUSXTFZJOTLAC-UHFFFAOYSA-N 0 0 430.320 5.697 1 0 IKAFRN CCCCN(CCCC)c1cc(C)nc2c1nn(CC)c2-c1ccc(Cl)cc1Cl ZINC000013553400 562992922 /nfs/dbraw/zinc/99/29/22/562992922.db2.gz PNQCVWIEGKXXQH-UHFFFAOYSA-N 0 0 433.427 7.140 1 0 IKAFRN Cc1ccc(C(=O)N[C@H](CC2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)cc1 ZINC000013553767 562992945 /nfs/dbraw/zinc/99/29/45/562992945.db2.gz FXJONMXNOHTESX-OZTQUORISA-N 0 0 446.462 7.495 1 0 IKAFRN Cc1ccc(C(=O)N[C@@H](CC2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)cc1 ZINC000013553768 562992977 /nfs/dbraw/zinc/99/29/77/562992977.db2.gz FXJONMXNOHTESX-FGJIOPLASA-N 0 0 446.462 7.495 1 0 IKAFRN O=c1[nH]c2c(s1)c(CC[NH2+]CCCCCCOCCCCc1ccccc1)ccc2[O-] ZINC000013556261 562993185 /nfs/dbraw/zinc/99/31/85/562993185.db2.gz YBTODLSGLLVUPP-UHFFFAOYSA-N 0 0 442.625 5.027 1 0 IKAFRN FC(F)(Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCC(CCc2ccccc2)CC1 ZINC000013557082 562993291 /nfs/dbraw/zinc/99/32/91/562993291.db2.gz ODVAQIGJSXTYDY-UHFFFAOYSA-N 0 0 449.549 5.271 1 0 IKAFRN O=[P@](OC1CCCC1)(c1ccccc1)N1CCCC(c2ccc(Cl)c(Cl)c2)=N1 ZINC000013557148 562993303 /nfs/dbraw/zinc/99/33/03/562993303.db2.gz MDXCEQQMOSSLLY-NDEPHWFRSA-N 0 0 437.307 6.271 1 0 IKAFRN CCC1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H]1O ZINC000013558803 562993586 /nfs/dbraw/zinc/99/35/86/562993586.db2.gz VIQMBMNGDAEUQV-UYRVZKTGSA-N 0 0 432.689 6.175 1 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000013558853 562993710 /nfs/dbraw/zinc/99/37/10/562993710.db2.gz TWBFLSYEQYPEAU-LSAOKAHJSA-N 0 0 442.521 6.712 1 0 IKAFRN CCCCN(CCCC)C(=O)C(=O)c1c2cc(Cl)ccc2[nH]c1-c1ccc(Cl)cc1 ZINC000013560061 562994117 /nfs/dbraw/zinc/99/41/17/562994117.db2.gz WXPMBHGLFPGGNH-UHFFFAOYSA-N 0 0 445.390 6.753 1 0 IKAFRN COc1ccc(C[C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)cc1 ZINC000013560799 562994300 /nfs/dbraw/zinc/99/43/00/562994300.db2.gz XNMIGYGLALQADL-STXQHDJLSA-N 0 0 432.539 5.370 1 0 IKAFRN Fc1ccc(Nc2nccc(-c3c4cccnn4nc3-c3ccc(Cl)cc3)n2)cc1F ZINC000013582714 562994762 /nfs/dbraw/zinc/99/47/62/562994762.db2.gz WXHHGKIGHYBHPQ-UHFFFAOYSA-N 0 0 434.837 5.529 1 0 IKAFRN CCN(Cc1ccc(C)cc1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn21 ZINC000013583166 562994844 /nfs/dbraw/zinc/99/48/44/562994844.db2.gz MTPKCVBUMRAXKG-UHFFFAOYSA-N 0 0 428.584 5.117 1 0 IKAFRN Cc1nn2c(nc(C)cc2N(Cc2ccccc2)C(C)C)c1-c1cnc(N(C)C)cc1C ZINC000013583175 562994862 /nfs/dbraw/zinc/99/48/62/562994862.db2.gz NZGVRMGNONAOPJ-UHFFFAOYSA-N 0 0 428.584 5.198 1 0 IKAFRN CCN(Cc1ccccc1C)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn21 ZINC000013583161 562994880 /nfs/dbraw/zinc/99/48/80/562994880.db2.gz JJZVSSNHWVZBEO-UHFFFAOYSA-N 0 0 428.584 5.117 1 0 IKAFRN O=C([O-])c1ccccc1OCC[NH+]1CCC(c2cn(Cc3ccco3)c3ccccc23)CC1 ZINC000013586264 562995237 /nfs/dbraw/zinc/99/52/37/562995237.db2.gz BLFHOBLUEABFEX-UHFFFAOYSA-N 0 0 444.531 5.239 1 0 IKAFRN O=C(Nc1ccc(-c2nc3cc(C(=O)Nc4ccccn4)ccc3[nH]2)cc1)c1ccccc1 ZINC000013586379 562995288 /nfs/dbraw/zinc/99/52/88/562995288.db2.gz NZJYTLLDSVHPHZ-UHFFFAOYSA-N 0 0 433.471 5.130 1 0 IKAFRN O=C1NCc2nc(NCc3ccc(F)cc3F)ccc2N1c1c(Cl)cccc1Cl ZINC000013587255 562995655 /nfs/dbraw/zinc/99/56/55/562995655.db2.gz CCQMLOFTVBGBMN-UHFFFAOYSA-N 0 0 435.261 5.640 1 0 IKAFRN O=C1NCc2nc(Sc3cccc(Cl)c3)ccc2N1c1c(Cl)cccc1Cl ZINC000013587252 562995665 /nfs/dbraw/zinc/99/56/65/562995665.db2.gz HNCFDOXCWPGCQS-UHFFFAOYSA-N 0 0 436.751 6.554 1 0 IKAFRN O=C1NCc2nc(Sc3ccccc3Cl)ccc2N1c1c(Cl)cccc1Cl ZINC000013587248 562995687 /nfs/dbraw/zinc/99/56/87/562995687.db2.gz CGOMYLZSVNWUOG-UHFFFAOYSA-N 0 0 436.751 6.554 1 0 IKAFRN c1cc2cc(Nc3ccnc4cc(-c5ccc(CN6CCOCC6)cc5)sc43)ccc2[nH]1 ZINC000013588192 562995913 /nfs/dbraw/zinc/99/59/13/562995913.db2.gz JCKSFAJUCQVQOF-UHFFFAOYSA-N 0 0 440.572 6.020 1 0 IKAFRN Cc1cn(CC2CCCCCC2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589720 562996490 /nfs/dbraw/zinc/99/64/90/562996490.db2.gz AMLLKGOZJKLVGB-UHFFFAOYSA-N 0 0 446.378 6.113 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)C[C@H](O)CC(c1ccccc1)c1ccccc1 ZINC000013600137 562996763 /nfs/dbraw/zinc/99/67/63/562996763.db2.gz VRMBKNZANICQEN-XMMPIXPASA-N 0 0 429.604 6.845 1 0 IKAFRN COc1ccc([C@H](Cc2ccc(O)cc2)SCCCCCCCCCCCO)cc1 ZINC000013601010 562996767 /nfs/dbraw/zinc/99/67/67/562996767.db2.gz BUWNFPIZFCVUQH-SANMLTNESA-N 0 0 430.654 6.921 1 0 IKAFRN COCOc1cc(-c2ccccc2)ccc1-c1ccc(C(=O)OC[C@H](C)CC(C)(C)C)cc1 ZINC000013603826 562997071 /nfs/dbraw/zinc/99/70/71/562997071.db2.gz NRDZJCPQCVQANM-OAQYLSRUSA-N 0 0 446.587 7.232 1 0 IKAFRN COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000013604458 562997131 /nfs/dbraw/zinc/99/71/31/562997131.db2.gz RNHPXWHVVUIJJX-KAYWLYCHSA-N 0 0 429.560 6.209 1 0 IKAFRN CCOC(=O)CC/C(=C\C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 ZINC000013606902 562997347 /nfs/dbraw/zinc/99/73/47/562997347.db2.gz BQVRRSBEEJDHHY-KNTRCKAVSA-N 0 0 437.536 5.121 1 0 IKAFRN Cc1cccc(CCCOc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1 ZINC000013610311 562997760 /nfs/dbraw/zinc/99/77/60/562997760.db2.gz HWWJCYIYBBEGDP-UHFFFAOYSA-N 0 0 425.536 5.261 1 0 IKAFRN CCCC[C@@H](c1ccc(F)cc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1 ZINC000013610696 562997775 /nfs/dbraw/zinc/99/77/75/562997775.db2.gz SYBPBURKXDRONN-NRFANRHFSA-N 0 0 444.982 6.431 1 0 IKAFRN c1ccc(-c2nnc3c4c(c(OCc5nc6ccccc6s5)nn23)C2CCC4CC2)cc1 ZINC000013610447 562997788 /nfs/dbraw/zinc/99/77/88/562997788.db2.gz GZMAYKNZWRXMFO-UHFFFAOYSA-N 0 0 439.544 5.735 1 0 IKAFRN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000013611691 562997831 /nfs/dbraw/zinc/99/78/31/562997831.db2.gz XZVDXFRDHYGZQO-UHFFFAOYSA-N 0 0 448.013 5.180 1 0 IKAFRN C[C@H]1CN(c2ncccc2C(F)(F)F)C[C@H](C)N1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000013611999 562997941 /nfs/dbraw/zinc/99/79/41/562997941.db2.gz WBTAUPAESBEXBG-STQMWFEESA-N 0 0 446.395 5.250 1 0 IKAFRN C[C@@H]1CN(c2ncccc2C(F)(F)F)C[C@@H](C)N1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000013611995 562997945 /nfs/dbraw/zinc/99/79/45/562997945.db2.gz WBTAUPAESBEXBG-CHWSQXEVSA-N 0 0 446.395 5.250 1 0 IKAFRN CC(C)(C)OCCC[C@H]1C[C@@]2(C)[C@@H](CC[C@@]23CCC(=O)O3)[C@@H]2CCC3=CC(=O)CCC3=C12 ZINC000013651590 562999186 /nfs/dbraw/zinc/99/91/86/562999186.db2.gz SELODMNVRNFOLY-KVBLMREGSA-N 0 0 440.624 6.090 1 0 IKAFRN CCCCC[C@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3cc(OC(C)=O)ccc3n21 ZINC000013650962 562999198 /nfs/dbraw/zinc/99/91/98/562999198.db2.gz BIZWSDZNUKKOSK-IBGZPJMESA-N 0 0 433.504 5.649 1 0 IKAFRN COc1ccc2cc([C@H](C)C(=O)NCC[C@@]3(C)Cc4c(c(C)c(C)c(O)c4C)O3)ccc2c1 ZINC000013652318 562999353 /nfs/dbraw/zinc/99/93/53/562999353.db2.gz ZBVQBLJXKSYUIV-JMQGSBJISA-N 0 0 447.575 5.483 1 0 IKAFRN COc1ccc2cc([C@H](C)C(=O)OC[C@]3(C)Cc4c(c(C)c(C)c(O)c4C)O3)ccc2c1 ZINC000013652315 562999363 /nfs/dbraw/zinc/99/93/63/562999363.db2.gz HLSGCMJRDCUPBO-SOKVYYICSA-N 0 0 434.532 5.520 1 0 IKAFRN COc1ccc2cc([C@H](C)C(=O)OCC[C@]3(C)Cc4c(c(C)c(C)c(O)c4C)O3)ccc2c1 ZINC000013652317 562999368 /nfs/dbraw/zinc/99/93/68/562999368.db2.gz IMFCURJCHSXUPS-XDBZFTIUSA-N 0 0 448.559 5.910 1 0 IKAFRN Cc1ccc(-c2cc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013662022 562999792 /nfs/dbraw/zinc/99/97/92/562999792.db2.gz IKMYLWAYVUFRCF-IGJIQGLHSA-N 0 0 425.547 6.713 3 0 IKAFRN COc1ccc(-c2ccc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661844 562999811 /nfs/dbraw/zinc/99/98/11/562999811.db2.gz IYQXWEQTZIWLBE-UAWBZUDJSA-N 0 0 441.546 6.413 3 0 IKAFRN C[C@@]12CCC=C[C@H]1[C@H](c1ccc(F)c(/C=C/c3ccccc3)c1)N(Cc1ccccc1)C2=O ZINC000013662083 562999938 /nfs/dbraw/zinc/99/99/38/562999938.db2.gz KAHGIBROZIDIFE-URJHXMFISA-N 0 0 437.558 7.052 3 0 IKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(OC)cc2[C@@H](c2ccc(F)cc2)[C@H]1O ZINC000013673004 563000097 /nfs/dbraw/zinc/00/00/97/563000097.db2.gz RQULZOWJJGSQJU-DNQXCXABSA-N 0 0 448.600 5.481 1 0 IKAFRN CCCC[C@]1(CC)CS(=O)(=O)c2ccc(SC)cc2[C@@H](c2ccc(F)cc2)[C@H]1O ZINC000013672966 563000136 /nfs/dbraw/zinc/00/01/36/563000136.db2.gz FIMYYRWZVJCULV-DNVJHFABSA-N 0 0 436.614 5.414 1 0 IKAFRN CC[C@H]1Cn2nc(-c3ccc(C(F)(F)F)cc3Cl)c3nc(C)cc(c32)N1CC1CC1 ZINC000013672740 563000139 /nfs/dbraw/zinc/00/01/39/563000139.db2.gz ISFFZZINNKWLIV-HNNXBMFYSA-N 0 0 434.893 6.088 1 0 IKAFRN CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)CCc3ccccc3)c2)s1 ZINC000013673385 563000214 /nfs/dbraw/zinc/00/02/14/563000214.db2.gz XLMIKSYZFWHWMU-UHFFFAOYSA-N 0 0 427.573 6.314 1 0 IKAFRN COC(=O)CCC/C=C(\c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(Cl)ccc1OC ZINC000013673850 563000280 /nfs/dbraw/zinc/00/02/80/563000280.db2.gz WVDFUUVBXHPJPC-QGMBQPNBSA-N 0 0 446.927 5.227 1 0 IKAFRN Cc1c(Cc2c(Cl)cccc2Cl)nc(SCc2ccc(Cl)cc2)[nH]c1=O ZINC000013677546 563000604 /nfs/dbraw/zinc/00/06/04/563000604.db2.gz VIUTZIPXDGWWIB-UHFFFAOYSA-N 0 0 425.768 5.922 1 0 IKAFRN O=c1cc(N2CCOCC2)oc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12 ZINC000013677108 563000630 /nfs/dbraw/zinc/00/06/30/563000630.db2.gz CQXYBGJMHPIYGF-UHFFFAOYSA-N 0 0 443.343 5.334 1 0 IKAFRN COc1ccc(CCCSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000013677574 563000640 /nfs/dbraw/zinc/00/06/40/563000640.db2.gz QBEYKJNAHQXCHY-UHFFFAOYSA-N 0 0 449.403 5.709 1 0 IKAFRN CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cccc(OC)c2n1 ZINC000013728704 563001486 /nfs/dbraw/zinc/00/14/86/563001486.db2.gz CHPCFSFJWCGLPM-UHFFFAOYSA-N 0 0 437.503 5.232 1 0 IKAFRN CC(C)(C)c1ccc2c(c1)[C@@H](C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1CO2 ZINC000013735114 563002241 /nfs/dbraw/zinc/00/22/41/563002241.db2.gz FCWKKHQFMBQCEL-QFIPXVFZSA-N 0 0 440.370 6.954 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1c2ccccc2COc2ccc(CO)cc21 ZINC000013735260 563002252 /nfs/dbraw/zinc/00/22/52/563002252.db2.gz VQHBQOKIIDQHAR-AREMUKBSSA-N 0 0 429.560 6.089 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1c2ccccc2COc2ccc(Cl)cc21 ZINC000013735209 563002253 /nfs/dbraw/zinc/00/22/53/563002253.db2.gz MTVLOCHSRQDIMC-VWLOTQADSA-N 0 0 433.979 7.250 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1c2ccccc2COc2ccc(Cl)cc21 ZINC000013735206 563002260 /nfs/dbraw/zinc/00/22/60/563002260.db2.gz MTVLOCHSRQDIMC-RUZDIDTESA-N 0 0 433.979 7.250 1 0 IKAFRN CCc1ccc2c(c1)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000013735197 563002263 /nfs/dbraw/zinc/00/22/63/563002263.db2.gz GVIAOKOSBKGSLO-MHZLTWQESA-N 0 0 427.588 7.159 1 0 IKAFRN COc1ccc2c(c1)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000013735231 563002264 /nfs/dbraw/zinc/00/22/64/563002264.db2.gz BKZAFZZFEGRFFQ-AREMUKBSSA-N 0 0 429.560 6.605 1 0 IKAFRN Cc1cc2c(cc1C)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000013735275 563002317 /nfs/dbraw/zinc/00/23/17/563002317.db2.gz LWCGWMZYOKTLGY-MHZLTWQESA-N 0 0 427.588 7.213 1 0 IKAFRN Cc1cc2c(cc1C)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000013735272 563002324 /nfs/dbraw/zinc/00/23/24/563002324.db2.gz LWCGWMZYOKTLGY-HHHXNRCGSA-N 0 0 427.588 7.213 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC000013736808 563002427 /nfs/dbraw/zinc/00/24/27/563002427.db2.gz KFVWPUAUQLMHOM-UHFFFAOYSA-N 0 0 434.668 7.864 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000013736826 563002440 /nfs/dbraw/zinc/00/24/40/563002440.db2.gz ASAHGMWBMFBXLP-UHFFFAOYSA-N 0 0 446.557 7.586 1 0 IKAFRN CC/C(=C(\c1ccccc1)c1ccc(/C=C/C(=O)NCCCOC)cc1)c1ccccc1 ZINC000013736703 563002446 /nfs/dbraw/zinc/00/24/46/563002446.db2.gz YCTVEFROKAIABA-JRGHFAHQSA-N 0 0 425.572 6.222 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NC(=O)c1ccco1)c1ccccc1 ZINC000013737214 563002509 /nfs/dbraw/zinc/00/25/09/563002509.db2.gz HTSQPJDSEMDMNM-QFIPXVFZSA-N 0 0 433.552 5.819 1 0 IKAFRN COc1ccc(NC(=O)Nc2cnc3ccc(Cl)cc3c2-c2ccccc2)c(OC)c1 ZINC000013737635 563002559 /nfs/dbraw/zinc/00/25/59/563002559.db2.gz JEORDHKEIDTYHR-UHFFFAOYSA-N 0 0 433.895 6.216 1 0 IKAFRN Cc1[nH]c2cc(OCc3ccccc3)ccc2c1C(=O)[C@@H]1CS[C@H](c2cccnc2)N1 ZINC000013737515 563002602 /nfs/dbraw/zinc/00/26/02/563002602.db2.gz ZETIYJQATOWHHF-WIOPSUGQSA-N 0 0 429.545 5.037 1 0 IKAFRN COc1ccc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cn1 ZINC000013738237 563002796 /nfs/dbraw/zinc/00/27/96/563002796.db2.gz CUTBZCOOVOTXKX-UHFFFAOYSA-N 0 0 431.967 5.335 1 0 IKAFRN COc1ccc(C2=C(OC(C)=O)c3cccn3-c3cc(C(F)(F)F)ccc3S2)cc1 ZINC000013739857 563002925 /nfs/dbraw/zinc/00/29/25/563002925.db2.gz VYDVAEKBDKKVLR-UHFFFAOYSA-N 0 0 431.435 5.999 1 0 IKAFRN [NH2+]=C(Nc1ccccc1)c1ccc(-c2ccc(C3=CC[C@](O)(CC(=O)[O-])CC3)cc2)cc1 ZINC000013739728 563002965 /nfs/dbraw/zinc/00/29/65/563002965.db2.gz GXEOQVIWYSZCJA-HHHXNRCGSA-N 0 0 426.516 5.564 1 0 IKAFRN CC(=O)Nc1ccc(C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000013741229 563003193 /nfs/dbraw/zinc/00/31/93/563003193.db2.gz LCSOXNKUFUMICN-MUUNZHRXSA-N 0 0 448.566 5.877 1 0 IKAFRN Clc1ccc(/N=c2\ccn(Cc3ccccc3Cl)c3cc(Cl)ccc32)c(Cl)c1 ZINC000013741406 563003314 /nfs/dbraw/zinc/00/33/14/563003314.db2.gz PAKNNKHWZPSIOR-NHFJDJAPSA-N 0 0 448.180 7.536 1 0 IKAFRN Cc1cc2c(cc1C)c(-c1ccccc1)c(NC(=O)N(C)CCc1ccccc1)n(C)c2=O ZINC000013742621 563003489 /nfs/dbraw/zinc/00/34/89/563003489.db2.gz KXDFNFPRYVPCBY-UHFFFAOYSA-N 0 0 439.559 5.529 1 0 IKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1Cl ZINC000013742747 563003517 /nfs/dbraw/zinc/00/35/17/563003517.db2.gz CZZDYXFXPIMRCD-HEVGNLSTSA-N 0 0 426.988 5.192 1 0 IKAFRN Cc1nc2cnccc2n1-c1ccc([C@H]2Cc3cc(Cl)c(Cl)cc3NC(=O)C2)cc1 ZINC000013743147 563003598 /nfs/dbraw/zinc/00/35/98/563003598.db2.gz NFBYUJIXBSLXHC-HNNXBMFYSA-N 0 0 437.330 5.704 1 0 IKAFRN CCc1cc(-c2ccc(Cl)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 ZINC000013744119 563003670 /nfs/dbraw/zinc/00/36/70/563003670.db2.gz BWSZHEONLXBVNB-UHFFFAOYSA-N 0 0 428.964 5.705 1 0 IKAFRN c1ccc2c(c1)nccc2OCCCCCCCCCCOc1ccnc2ccccc21 ZINC000013745685 563003970 /nfs/dbraw/zinc/00/39/70/563003970.db2.gz LAJYHBHQACMLLZ-UHFFFAOYSA-N 0 0 428.576 7.362 1 0 IKAFRN C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCSSc3ccccc3)[C@@H]1CCC2=O ZINC000013746625 563004083 /nfs/dbraw/zinc/00/40/83/563004083.db2.gz NNVANFDERAUVNL-LIOHBJMPSA-N 0 0 438.658 6.818 1 0 IKAFRN Cc1cc(C)c(NC(=O)C(C)(C)CCCc2ccc(CC(C)C)cc2)c2c1CC(C)(C)O2 ZINC000013747634 563004222 /nfs/dbraw/zinc/00/42/22/563004222.db2.gz FEUKTXQHHIGMGQ-UHFFFAOYSA-N 0 0 435.652 7.203 1 0 IKAFRN O=C(CCC[C@H](C1CCCC1)C(F)(F)F)N1[C@H](C(=O)N2CCCC2)C[C@@H]2CCCC[C@@H]21 ZINC000013756454 563004435 /nfs/dbraw/zinc/00/44/35/563004435.db2.gz UOLCENYHJULYKC-WOZUAGRISA-N 0 0 442.566 5.308 1 0 IKAFRN CCCCc1cc(C(=O)OC)cc2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc21 ZINC000013759211 563004818 /nfs/dbraw/zinc/00/48/18/563004818.db2.gz MQVUVMUVJXHGFF-UHFFFAOYSA-N 0 0 448.559 5.546 1 0 IKAFRN CCc1cc2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc2c(-c2ccccc2)c1 ZINC000013759151 563004830 /nfs/dbraw/zinc/00/48/30/563004830.db2.gz HFPITKHYGHMBJB-UHFFFAOYSA-N 0 0 438.567 6.646 1 0 IKAFRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(COCc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013760816 563004886 /nfs/dbraw/zinc/00/48/86/563004886.db2.gz ZISMBHYUGZATOB-FAFXBXCMSA-N 0 0 438.652 6.182 1 0 IKAFRN CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1CC ZINC000013759979 563004911 /nfs/dbraw/zinc/00/49/11/563004911.db2.gz ZIANMVTWRBZITE-UHFFFAOYSA-N 0 0 427.807 6.678 1 0 IKAFRN COC(=O)[C@@H](NC(=O)c1cc(-c2cc3ccccc3o2)nc2ccccc21)c1ccccc1 ZINC000013762372 563005342 /nfs/dbraw/zinc/00/53/42/563005342.db2.gz ZLODJFMIOPIMTQ-VWLOTQADSA-N 0 0 436.467 5.292 1 0 IKAFRN COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)c1ccccc1 ZINC000013762390 563005401 /nfs/dbraw/zinc/00/54/01/563005401.db2.gz FXGIDODTRRIPTL-HSZRJFAPSA-N 0 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ZINC000013777121 563005926 /nfs/dbraw/zinc/00/59/26/563005926.db2.gz BMIDVCHQTQWMNU-DEOSSOPVSA-N 0 0 439.452 7.601 1 0 IKAFRN CCCCC[C@H](C)OC(=O)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013778588 563006039 /nfs/dbraw/zinc/00/60/39/563006039.db2.gz BTEMHWUCOCXSLE-SQJMNOBHSA-N 0 0 437.624 7.168 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(-c3cnn(C)c3)cc2)C2CCCCCC2)c(C)c1 ZINC000013779982 563006314 /nfs/dbraw/zinc/00/63/14/563006314.db2.gz YZHVDVMPAFWSQJ-UHFFFAOYSA-N 0 0 444.623 6.769 1 0 IKAFRN Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3nn[nH]n3)c2)C2CCCCCC2)c(C)c1 ZINC000013780009 563006394 /nfs/dbraw/zinc/00/63/94/563006394.db2.gz NLMAYZNEYXRZJP-UHFFFAOYSA-N 0 0 432.572 5.549 1 0 IKAFRN O=C(Nc1c(F)cc(F)cc1F)N(Cc1ccccc1)Cc1cccc(-c2cc[nH]n2)c1 ZINC000013779999 563006400 /nfs/dbraw/zinc/00/64/00/563006400.db2.gz GQGSSSROHBNTNO-UHFFFAOYSA-N 0 0 436.437 5.728 1 0 IKAFRN Cc1nnc(-c2ccc(CN(C(=O)Nc3c(C)cc(C)cc3C)C3CCCCCC3)cc2)o1 ZINC000013779990 563006422 /nfs/dbraw/zinc/00/64/22/563006422.db2.gz XKAJXDKODHPURQ-UHFFFAOYSA-N 0 0 446.595 6.727 1 0 IKAFRN N=C(Nc1ccc(Sc2ccccc2)cc1)Nc1ccc(Sc2ccccc2)cc1 ZINC000013780931 563006535 /nfs/dbraw/zinc/00/65/35/563006535.db2.gz LJWSGBDUJMBMKJ-UHFFFAOYSA-N 0 0 427.598 7.448 1 0 IKAFRN CC1(C)C(=O)CC[C@@]2(C)[C@@H]1C[C@H](O)[C@@]1(C)C3=CC(=O)O[C@H](c4ccoc4)[C@]3(C)CC[C@@H]21 ZINC000013783622 563006972 /nfs/dbraw/zinc/00/69/72/563006972.db2.gz BQDRKSSNLHIYIM-BTYPOLQXSA-N 0 0 426.553 5.003 1 0 IKAFRN CCN(CCOC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 ZINC000013794428 563007081 /nfs/dbraw/zinc/00/70/81/563007081.db2.gz FAWCLOAHEOFPJX-UHFFFAOYSA-N 0 0 435.410 5.302 1 0 IKAFRN CCCN(CCOC)c1cc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 ZINC000013794431 563007097 /nfs/dbraw/zinc/00/70/97/563007097.db2.gz HQHDYEZXHWNJPC-UHFFFAOYSA-N 0 0 449.437 5.692 1 0 IKAFRN CCCN(CCC)c1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1 ZINC000013794543 563007154 /nfs/dbraw/zinc/00/71/54/563007154.db2.gz NUCFIVJSHAGCPT-UHFFFAOYSA-N 0 0 434.426 5.850 1 0 IKAFRN CCCCN(CC)c1cc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013795052 563007208 /nfs/dbraw/zinc/00/72/08/563007208.db2.gz QHRGGQGWTLBWEM-UHFFFAOYSA-N 0 0 430.394 5.636 1 0 IKAFRN CC[C@@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1-c1ccccc1)c1ccccc1 ZINC000013795667 563007253 /nfs/dbraw/zinc/00/72/53/563007253.db2.gz MKVYTKVBSRSKRX-AREMUKBSSA-N 0 0 442.562 7.450 1 0 IKAFRN C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(C(F)(F)F)c1)Oc1ccccc1-3 ZINC000013796876 563007474 /nfs/dbraw/zinc/00/74/74/563007474.db2.gz FZORYLRILGENBG-PSLXWICFSA-N 0 0 437.461 6.731 1 0 IKAFRN CCc1cc(NC(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)cc(-c2cccnc2)c1 ZINC000013806166 563008400 /nfs/dbraw/zinc/00/84/00/563008400.db2.gz WHIABSZOSLXOTJ-UHFFFAOYSA-N 0 0 441.453 5.933 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(-c3cnccc3C)c1)CC2 ZINC000013806133 563008404 /nfs/dbraw/zinc/00/84/04/563008404.db2.gz VSGPZSVKVXFLOY-UHFFFAOYSA-N 0 0 427.426 5.679 1 0 IKAFRN COc1cc2oc(=O)cc(-c3ccc(-c4ccc(F)c(Cl)c4)cc3)c2c(OC)c1OC ZINC000013813835 563009113 /nfs/dbraw/zinc/00/91/13/563009113.db2.gz CUSPIAHPFVPJQZ-UHFFFAOYSA-N 0 0 440.854 5.945 3 0 IKAFRN O=C(c1oc2cc(O)ccc2c1-c1cccc2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000013818646 563009713 /nfs/dbraw/zinc/00/97/13/563009713.db2.gz OUXCGKOYHDWGBF-UHFFFAOYSA-N 0 0 436.463 6.351 1 0 IKAFRN CCCCCC[C@]1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1(Cl)Cl ZINC000013819880 563009977 /nfs/dbraw/zinc/00/99/77/563009977.db2.gz RNMKCDKJDCUKNL-KHCICDEESA-N 0 0 437.451 7.789 1 0 IKAFRN CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2-c2n[nH]nc2F)cc1 ZINC000013823651 563010369 /nfs/dbraw/zinc/01/03/69/563010369.db2.gz DJYDLBVEKGCHLW-UHFFFAOYSA-N 0 0 437.906 5.331 1 0 IKAFRN Cc1c(-c2ccccc2)ncn1CCCOc1cccc(C)c1NC(=O)NCC(C)(C)C ZINC000013827691 563010796 /nfs/dbraw/zinc/01/07/96/563010796.db2.gz LUJVSMMQYXBOJH-UHFFFAOYSA-N 0 0 434.584 5.804 1 0 IKAFRN CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1CC ZINC000013827776 563010800 /nfs/dbraw/zinc/01/08/00/563010800.db2.gz KQCWGLFEWJJSCA-UHFFFAOYSA-N 0 0 448.611 6.202 1 0 IKAFRN CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc2c1CCc1ccccc1-2 ZINC000013827812 563010813 /nfs/dbraw/zinc/01/08/13/563010813.db2.gz YUJOAPXZBKASNM-UHFFFAOYSA-N 0 0 446.595 5.738 1 0 IKAFRN CCCCc1nc2cc(OC)ccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828027 563010821 /nfs/dbraw/zinc/01/08/21/563010821.db2.gz HBSLDOJMYCLNOV-UHFFFAOYSA-N 0 0 438.535 5.283 1 0 IKAFRN CCc1c(-c2ccccc2)ncn1CCCOc1cccc(C)c1NC(=O)NCC(C)(C)C ZINC000013827842 563010828 /nfs/dbraw/zinc/01/08/28/563010828.db2.gz LLSUZIXNIHAHDI-UHFFFAOYSA-N 0 0 448.611 6.058 1 0 IKAFRN C[C@]12CCC=C[C@@H]1[C@@H](c1ccc(F)c(/C=C/c3ccccc3)c1)N(Cc1ccccc1)C2=O ZINC000013829660 563010896 /nfs/dbraw/zinc/01/08/96/563010896.db2.gz KAHGIBROZIDIFE-QSBNGNOLSA-N 0 0 437.558 7.052 1 0 IKAFRN C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(-c2ccc(F)cc2)cc1F ZINC000013829741 563010898 /nfs/dbraw/zinc/01/08/98/563010898.db2.gz HFJMJJXISOUPFA-IDYIBUKASA-N 0 0 429.510 6.544 1 0 IKAFRN COc1ccc(-c2ccc(C)cc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013830363 563011033 /nfs/dbraw/zinc/01/10/33/563011033.db2.gz CTLHQYKQJVVDCO-OTDNWNKYSA-N 0 0 437.583 6.583 1 0 IKAFRN COc1ccc(/C=C/c2ccccc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013830369 563011038 /nfs/dbraw/zinc/01/10/38/563011038.db2.gz MDQJZJCSIDCKTP-LGISJAHCSA-N 0 0 449.594 6.778 1 0 IKAFRN Cc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830697 563011125 /nfs/dbraw/zinc/01/11/25/563011125.db2.gz PUHUOPDTCVDJOL-DFHREBLOSA-N 0 0 425.547 6.713 1 0 IKAFRN Cc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830699 563011129 /nfs/dbraw/zinc/01/11/29/563011129.db2.gz PUHUOPDTCVDJOL-CBIWFYJWSA-N 0 0 425.547 6.713 1 0 IKAFRN Cc1ccc(-c2cc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830912 563011131 /nfs/dbraw/zinc/01/11/31/563011131.db2.gz KQNOSVLASOFLIV-ONDZYYNLSA-N 0 0 425.547 6.857 1 0 IKAFRN COc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830705 563011133 /nfs/dbraw/zinc/01/11/33/563011133.db2.gz MJZNTIVTTZIIPF-IBHRVQJDSA-N 0 0 441.546 6.413 1 0 IKAFRN C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1F ZINC000013830661 563011141 /nfs/dbraw/zinc/01/11/41/563011141.db2.gz ABMDJMAZWAUPMF-LYWFGWHVSA-N 0 0 437.558 6.908 1 0 IKAFRN COc1c(Cl)c(C)c(C=O)c(OC)c1C[C@@H]1O[C@@]1(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835890 563012256 /nfs/dbraw/zinc/01/22/56/563012256.db2.gz KIVOGSVZBUZKSW-MMEORXCESA-N 0 0 448.987 5.376 1 0 IKAFRN O=C([O-])c1ccc2c(c1)[C@@H](SCC[N@@H+]1CCc3ccccc3C1)c1ccccc1CO2 ZINC000013861362 563012673 /nfs/dbraw/zinc/01/26/73/563012673.db2.gz QFSZUFOLEYHTBT-VWLOTQADSA-N 0 0 431.557 5.158 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2nn3c(nccc3-c3ccccc3)c2-c2ccc(F)cc2)cc1 ZINC000013861599 563012813 /nfs/dbraw/zinc/01/28/13/563012813.db2.gz VPNXZCCPHLSHPR-UHFFFAOYSA-N 0 0 443.503 5.273 1 0 IKAFRN O=C(/C=C/c1ccccc1)Nc1cc2c(cn1)ncnc2Nc1cccc(Br)c1 ZINC000013861821 563012873 /nfs/dbraw/zinc/01/28/73/563012873.db2.gz LECUYHDYEGPFIS-MDZDMXLPSA-N 0 0 446.308 5.183 1 0 IKAFRN COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC1CCCC1 ZINC000013863455 563013267 /nfs/dbraw/zinc/01/32/67/563013267.db2.gz GFALNLVQJILPHP-XZOQPEGZSA-N 0 0 432.564 5.570 1 0 IKAFRN O=c1c2ccc(OCCCCCCCCCCCCO)cc2occ1-c1ccc(O)cc1 ZINC000013864235 563013524 /nfs/dbraw/zinc/01/35/24/563013524.db2.gz CVHNRYKUXXBTPD-UHFFFAOYSA-N 0 0 438.564 6.438 1 0 IKAFRN COc1cc(C)cc2c1Oc1ccc([C@H](CC(C)C)OC(C)=O)c(OC)c1C(=O)OC2 ZINC000013901670 563013828 /nfs/dbraw/zinc/01/38/28/563013828.db2.gz KCGSFIODCSTCQI-IBGZPJMESA-N 0 0 428.481 5.125 1 0 IKAFRN CCCCCC(=O)O[C@@H](CCc1ccccc1)CP(=O)(OCCCC)OCCCC ZINC000013904407 563013848 /nfs/dbraw/zinc/01/38/48/563013848.db2.gz RPVQTTWSNSDEDA-QHCPKHFHSA-N 0 0 440.561 6.938 1 0 IKAFRN Cc1cc(C)c2nc(C3CC3)n([C@H]3CCc4cc(-c5ccccc5-c5nn[nH]n5)ccc43)c2n1 ZINC000013905502 563013895 /nfs/dbraw/zinc/01/38/95/563013895.db2.gz KVHCBGFGXVLDGD-QHCPKHFHSA-N 0 0 447.546 5.308 1 0 IKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1csc2ccccc21 ZINC000013974615 563014084 /nfs/dbraw/zinc/01/40/84/563014084.db2.gz GSBXDPQKEHNRQR-NPAAKHOSSA-N 0 0 444.575 6.706 1 0 IKAFRN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000013982104 563014158 /nfs/dbraw/zinc/01/41/58/563014158.db2.gz BQLOPROPJDPFEX-UHFFFAOYSA-N 0 0 444.498 6.417 1 0 IKAFRN CCc1nc2c(nc(C)cc2C)n1Cc1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000013982976 563014287 /nfs/dbraw/zinc/01/42/87/563014287.db2.gz BKQVRDBYAWSJGE-UHFFFAOYSA-N 0 0 434.543 6.064 1 0 IKAFRN C/C(=C\CC/C(C)=C/Cn1cnc2c1c(=O)ncn2C)CC/C=C(\C)CC(=O)CC(C)C ZINC000014585801 563014635 /nfs/dbraw/zinc/01/46/35/563014635.db2.gz CGWOILKMTWPLES-JASPXPHPSA-N 0 0 438.616 5.535 1 0 IKAFRN COc1cccc(CCc2ccc(O)c(Oc3ccc(CCc4cccc(O)c4)cc3)c2)c1 ZINC000014649950 563014718 /nfs/dbraw/zinc/01/47/18/563014718.db2.gz NZWFFDGHEUMZNF-UHFFFAOYSA-N 0 0 440.539 6.469 1 0 IKAFRN COc1cccc2c1-c1ccc(cc1O)CCc1ccc(O)c(c1)Oc1ccc(cc1)CC2 ZINC000014687280 563014858 /nfs/dbraw/zinc/01/48/58/563014858.db2.gz RHNBOYYLXZVNKD-UHFFFAOYSA-N 0 0 438.523 6.450 1 0 IKAFRN O=C(Nc1ccc(-c2cccc3c2CNC3=O)cc1)Nc1cc(C(F)(F)F)ccc1F ZINC000014945215 563015241 /nfs/dbraw/zinc/01/52/41/563015241.db2.gz IXBGEUWAAIXICM-UHFFFAOYSA-N 0 0 429.373 5.399 1 0 IKAFRN FC(F)(Cl)Oc1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1 ZINC000014946589 563015426 /nfs/dbraw/zinc/01/54/26/563015426.db2.gz BJGRIFQHDVCHMB-UHFFFAOYSA-N 0 0 443.841 5.223 1 0 IKAFRN FC(F)(Cl)Oc1ccc(Nc2nnc(-c3cnccc3CCc3ccncc3)o2)cc1 ZINC000014946595 563015478 /nfs/dbraw/zinc/01/54/78/563015478.db2.gz GRYCCPMMCHYRGO-UHFFFAOYSA-N 0 0 443.841 5.223 1 0 IKAFRN C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43CCSSc3ccccc3)[C@H]1CCC2=O ZINC000014947081 563015496 /nfs/dbraw/zinc/01/54/96/563015496.db2.gz NNVANFDERAUVNL-ULDOEVFSSA-N 0 0 438.658 6.818 1 0 IKAFRN Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000014963648 563016295 /nfs/dbraw/zinc/01/62/95/563016295.db2.gz YXKVUHJYIPCGRM-UHFFFAOYSA-N 0 0 439.751 6.521 1 0 IKAFRN CC1(C)C=C(CSCCc2ccccc2)c2cc(-c3cccc(O)c3Cl)ccc2N1 ZINC000014968708 563016357 /nfs/dbraw/zinc/01/63/57/563016357.db2.gz YQBRTDYULQKXOO-UHFFFAOYSA-N 0 0 436.020 7.276 1 0 IKAFRN COc1ccccc1-c1ccc2c(c1)C([C@H](C)OC/C=C/c1ccccc1)=CC(C)(C)N2 ZINC000014968818 563016449 /nfs/dbraw/zinc/01/64/49/563016449.db2.gz XLEGIUMNLZUICH-BGVYSJOJSA-N 0 0 425.572 7.068 1 0 IKAFRN COc1ccc(F)cc1-c1ccc2c(c1)C([C@H](C)OCCc1ccccc1)=CC(C)(C)N2 ZINC000014968871 563016458 /nfs/dbraw/zinc/01/64/58/563016458.db2.gz IRNANWRMLGUTHL-IBGZPJMESA-N 0 0 431.551 6.737 1 0 IKAFRN O=C1OC(c2ccc(O)c(F)c2)(c2ccc(O)c(F)c2)c2ccc(Cl)c3cccc1c32 ZINC000014968898 563016463 /nfs/dbraw/zinc/01/64/63/563016463.db2.gz UHARVYHWAUZCLS-UHFFFAOYSA-N 0 0 438.813 5.645 1 0 IKAFRN COc1ccccc1-c1ccc2c(c1)C([C@H](C)OCCc1ccccc1Cl)=CC(C)(C)N2 ZINC000014968842 563016471 /nfs/dbraw/zinc/01/64/71/563016471.db2.gz LEVDGZJDDWYGIQ-IBGZPJMESA-N 0 0 448.006 7.251 1 0 IKAFRN O=C(NCCNc1ccc(F)cc1)[C@H](CC1CCCCC1)Nc1nc2cc(F)ccc2o1 ZINC000014971577 563016608 /nfs/dbraw/zinc/01/66/08/563016608.db2.gz AFEWGFHFGCROEB-NRFANRHFSA-N 0 0 442.510 5.085 1 0 IKAFRN CCCCn1c(Sc2nc3ccc(Cl)c(Cl)c3s2)nc2c1ncnc2N ZINC000014974475 563016783 /nfs/dbraw/zinc/01/67/83/563016783.db2.gz IEFZISRPMLUIFT-UHFFFAOYSA-N 0 0 425.370 5.276 1 0 IKAFRN COc1ccc2[nH]c(C(=O)N3CCC(n4c5ccccc5nc4C(F)(F)F)CC3)cc2c1 ZINC000014976943 563017098 /nfs/dbraw/zinc/01/70/98/563017098.db2.gz PSXMMUKPLDIXTI-UHFFFAOYSA-N 0 0 442.441 5.022 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)NCCc1c[nH]c2ccc(O)cc12 ZINC000014979689 563017404 /nfs/dbraw/zinc/01/74/04/563017404.db2.gz OMBCFZUVQAWPNO-QNEBEIHSSA-N 0 0 436.640 7.122 1 0 IKAFRN O=C1CC[C@H](OCc2ccccc2)CCN1[C@H](CSc1ccccc1)Cc1ccccc1 ZINC000015933995 563018434 /nfs/dbraw/zinc/01/84/34/563018434.db2.gz ALKJYODMHPFGDB-UIOOFZCWSA-N 0 0 445.628 5.988 3 0 IKAFRN C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000015936692 563018984 /nfs/dbraw/zinc/01/89/84/563018984.db2.gz KGPIBGQLDJQQQP-XQJVOIGCSA-N 0 0 444.918 5.415 3 0 IKAFRN C[C@]12C(=O)N(c3ccc(Cl)cc3)C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000015936702 563018995 /nfs/dbraw/zinc/01/89/95/563018995.db2.gz JJUQJPGXLLDOOK-XQJVOIGCSA-N 0 0 444.918 5.415 3 0 IKAFRN FC(F)(F)c1cc(CCN2C(=S)NC[C@@H]2CC2CCCCC2)cc(C(F)(F)F)c1 ZINC000015952552 563020385 /nfs/dbraw/zinc/02/03/85/563020385.db2.gz ARPYXAWIWNUGEW-KRWDZBQOSA-N 0 0 438.481 6.207 3 0 IKAFRN O=C(NCc1cccs1)c1cccc(Nc2nc3cc(Br)ccc3[nH]2)c1 ZINC000015974463 563020614 /nfs/dbraw/zinc/02/06/14/563020614.db2.gz TZRYOVKPUJBBEZ-UHFFFAOYSA-N 0 0 427.327 5.061 3 0 IKAFRN Cc1ccc(S[C@@H](C)C=CNN=C2NN=C(c3ccccc3)[C@H](c3ccccc3)N2)cc1 ZINC000017210773 563021667 /nfs/dbraw/zinc/02/16/67/563021667.db2.gz XVFLOSRILJBFTA-BZYKCZEQSA-N 0 0 441.604 5.188 1 0 IKAFRN O=C(c1c2ccccc2n(C(=O)c2ccccc2)c1C[C@H](O)c1ccccn1)c1ccccc1 ZINC000017219067 563021740 /nfs/dbraw/zinc/02/17/40/563021740.db2.gz JTWDDFZOTHKNSI-SANMLTNESA-N 0 0 446.506 5.232 1 0 IKAFRN CCOP(=O)(OCC)[C@@H](c1ccccc1)N(C(=O)NC(F)(F)F)c1ccc(C)cc1 ZINC000017259219 563021907 /nfs/dbraw/zinc/02/19/07/563021907.db2.gz FTDIXDZXNSKOGL-SFHVURJKSA-N 0 0 444.390 5.996 1 0 IKAFRN O[C@@H](c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1[C@@H](O)c1ccccc1)c1ccccc1 ZINC000018098861 563022156 /nfs/dbraw/zinc/02/21/56/563022156.db2.gz VZLFGWLQHXCHJA-RNPORBBMSA-N 0 0 431.535 6.512 1 0 IKAFRN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cnn(-c3ccc(F)cc3)c2)n1 ZINC000019224493 563022558 /nfs/dbraw/zinc/02/25/58/563022558.db2.gz BOSNPFUJYXJNDI-HHHXNRCGSA-N 0 0 437.522 5.344 3 0 IKAFRN O[C@H](c1ccc(Cl)cc1Cl)[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000026008429 563028362 /nfs/dbraw/zinc/02/83/62/563028362.db2.gz HBWJVZZCQWFPPG-QZTJIDSGSA-N 0 0 432.134 5.118 1 0 IKAFRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc(-c4ccccc4)cs3)c2)cc1 ZINC000020570612 563025122 /nfs/dbraw/zinc/02/51/22/563025122.db2.gz CPWXIHPCAIQCQB-UHFFFAOYSA-N 0 0 449.557 5.172 1 0 IKAFRN C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C/I)[C@H]12 ZINC000025977212 563027863 /nfs/dbraw/zinc/02/78/63/563027863.db2.gz ZYZDMAJYGAZXEO-AWMCPCOCSA-N 0 0 440.365 5.054 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1Cl)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000025983143 563027965 /nfs/dbraw/zinc/02/79/65/563027965.db2.gz QEAYWQUFAJAIBT-QGZVFWFLSA-N 0 0 445.133 6.487 1 0 IKAFRN COc1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)n2c3ccccc3oc2=S)cc1 ZINC000025979149 563027972 /nfs/dbraw/zinc/02/79/72/563027972.db2.gz JHMPHANODJQXSR-HSZRJFAPSA-N 0 0 433.529 5.799 1 0 IKAFRN O[C@H](c1ccc(Cl)cc1Cl)[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000026008440 563028400 /nfs/dbraw/zinc/02/84/00/563028400.db2.gz HBWJVZZCQWFPPG-MSOLQXFVSA-N 0 0 432.134 5.118 1 0 IKAFRN CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(-c4ccccc4)cnc32)CC1 ZINC000026014642 563028578 /nfs/dbraw/zinc/02/85/78/563028578.db2.gz OWANSEFRVFQYIX-UHFFFAOYSA-N 0 0 428.963 5.945 1 0 IKAFRN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1CCCCCc1ccccc1 ZINC000026023848 563028787 /nfs/dbraw/zinc/02/87/87/563028787.db2.gz WGJQRZJWAYSTCK-UHFFFAOYSA-N 0 0 431.146 6.309 1 0 IKAFRN CS(=O)(=O)Nc1ccc2c(c1)[C@H](c1ccccc1)Oc1cccc(-c3cccs3)c1-2 ZINC000026182706 563029615 /nfs/dbraw/zinc/02/96/15/563029615.db2.gz JBCHKQOUNUPIOV-DEOSSOPVSA-N 0 0 433.554 5.935 1 0 IKAFRN CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)[C@@H](c1ccccc1)C1CC1 ZINC000026188646 563029910 /nfs/dbraw/zinc/02/99/10/563029910.db2.gz IFGNWUIDGZIYAU-VWLOTQADSA-N 0 0 433.552 5.537 1 0 IKAFRN CCCc1c(O)c(C(=O)OC)ccc1OCc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000026189957 563029940 /nfs/dbraw/zinc/02/99/40/563029940.db2.gz AQCCFGROGKZPKI-WQRHYEAKSA-N 0 0 443.546 5.039 1 0 IKAFRN CCCc1c(O)c(C(C)=O)ccc1COc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000026257120 563030164 /nfs/dbraw/zinc/03/01/64/563030164.db2.gz LOFZQFAMGPYBSV-YBFXNURJSA-N 0 0 427.547 5.455 1 0 IKAFRN CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCCO)CC1 ZINC000026258885 563030179 /nfs/dbraw/zinc/03/01/79/563030179.db2.gz OPSFDILCXAIBDK-RTBURBONSA-N 0 0 443.628 5.642 1 0 IKAFRN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCCO)CC1 ZINC000026258897 563030242 /nfs/dbraw/zinc/03/02/42/563030242.db2.gz OPSFDILCXAIBDK-MOPGFXCFSA-N 0 0 443.628 5.642 1 0 IKAFRN CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCCC1=S ZINC000026269089 563030336 /nfs/dbraw/zinc/03/03/36/563030336.db2.gz HPDQUNRMUVCARN-SANMLTNESA-N 0 0 430.535 6.506 1 0 IKAFRN Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1 ZINC000026280823 563030663 /nfs/dbraw/zinc/03/06/63/563030663.db2.gz IFRFQOUTRBWNNQ-UHFFFAOYSA-N 0 0 448.510 5.592 1 0 IKAFRN CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCCCCC1=O ZINC000026281579 563030713 /nfs/dbraw/zinc/03/07/13/563030713.db2.gz GVZIELHNEQYPCT-GDLZYMKVSA-N 0 0 442.521 6.486 1 0 IKAFRN CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)N1CCCCCCC1=O ZINC000026281574 563030722 /nfs/dbraw/zinc/03/07/22/563030722.db2.gz GVZIELHNEQYPCT-LJAQVGFWSA-N 0 0 442.521 6.486 1 0 IKAFRN CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCO)CC1 ZINC000026282653 563030743 /nfs/dbraw/zinc/03/07/43/563030743.db2.gz WSVBYUINVGIAJJ-QZTJIDSGSA-N 0 0 429.601 5.251 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1Cn1ccnc1)c1ccccc1 ZINC000026288927 563030901 /nfs/dbraw/zinc/03/09/01/563030901.db2.gz KJZOIEGZNOPHDK-VWLOTQADSA-N 0 0 446.554 6.028 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2occ(Cl)c(=O)c2-c2cccc(-c3ccccc3)c2)cc1 ZINC000026289556 563030911 /nfs/dbraw/zinc/03/09/11/563030911.db2.gz RTBITCKNBHQPHB-UHFFFAOYSA-N 0 0 436.916 5.698 1 0 IKAFRN CCOC(=O)C1=C(C)NC(CSc2ccccc2)=C(C(=O)OCC)[C@H]1c1cccnc1 ZINC000026376317 563031038 /nfs/dbraw/zinc/03/10/38/563031038.db2.gz ILMOCIQSQMQFIH-WZFMIUBLSA-N 0 0 438.549 5.055 1 0 IKAFRN CCCCCCc1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1OC ZINC000026387022 563031611 /nfs/dbraw/zinc/03/16/11/563031611.db2.gz ILQSOXRPDMURNM-UHFFFAOYSA-N 0 0 427.541 5.289 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\CO)CCC=C(C)C ZINC000026387873 563031624 /nfs/dbraw/zinc/03/16/24/563031624.db2.gz UFMRPNJEGRFXCQ-SUNBHHBFSA-N 0 0 426.729 9.577 1 0 IKAFRN COc1ccc2[nH]c(-c3ccc4c(c3)OCO4)c(-c3cc(OC)c(OC)c(OC)c3)c2c1 ZINC000026389583 563031631 /nfs/dbraw/zinc/03/16/31/563031631.db2.gz MJCXFXGZYFBBDS-UHFFFAOYSA-N 0 0 433.460 5.265 1 0 IKAFRN COc1cc(Cl)c([C@H]2NCCN[C@H]2c2c(Cl)cc(OC)cc2Cl)c(Cl)c1 ZINC000026393543 563031704 /nfs/dbraw/zinc/03/17/04/563031704.db2.gz BCOMELIZJXRMLZ-HDICACEKSA-N 0 0 436.166 5.293 1 0 IKAFRN Cc1ccc(N[C@H](C(=O)CCc2c[nH]cn2)c2ccccc2Br)c(Cl)c1 ZINC000026485214 563032324 /nfs/dbraw/zinc/03/23/24/563032324.db2.gz CKEWBVKRLQFWPT-FQEVSTJZSA-N 0 0 432.749 5.489 1 0 IKAFRN Cc1nc2sc3c(c2c2ncn(CCc4ccc(Cl)cc4)c21)CCC1(C3)OCCO1 ZINC000026499457 563032713 /nfs/dbraw/zinc/03/27/13/563032713.db2.gz KAFOACFHKKCXJV-UHFFFAOYSA-N 0 0 439.968 5.082 1 0 IKAFRN CC(=O)OCc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc21 ZINC000026569138 563033282 /nfs/dbraw/zinc/03/32/82/563033282.db2.gz DUCNJELHRZZKGR-OAQYLSRUSA-N 0 0 428.507 5.890 1 0 IKAFRN COC(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc21 ZINC000026570937 563033375 /nfs/dbraw/zinc/03/33/75/563033375.db2.gz BOLRTTJZBPFWAF-LJQANCHMSA-N 0 0 429.495 6.006 1 0 IKAFRN Cc1oc(C2(C)CCCCC2)nc1CCOc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000026577565 563033805 /nfs/dbraw/zinc/03/38/05/563033805.db2.gz HPMQWGZTUGOWPY-RGEXLXHISA-N 0 0 426.538 5.150 1 0 IKAFRN CCCCC[C@H](O)C/C=C\CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000026577327 563033845 /nfs/dbraw/zinc/03/38/45/563033845.db2.gz VJMUMERDJOESSY-OCUNKTDNSA-N 0 0 433.633 6.025 1 0 IKAFRN C=C1N=C(c2ccccc2)C(C(=O)OCC)[C@H](/C=C/c2ccc(N)cc2)C1C(=O)OCC ZINC000026577926 563033933 /nfs/dbraw/zinc/03/39/33/563033933.db2.gz FFUDKHMUBGWKAN-RYDISJSYSA-N 0 0 432.520 5.153 1 0 IKAFRN O=C(N/C(C(=O)N1CCCCC1)=C(/Cl)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000026653623 563034679 /nfs/dbraw/zinc/03/46/79/563034679.db2.gz PACDFDJZYWGGSB-VHEBQXMUSA-N 0 0 436.861 5.055 1 0 IKAFRN CC(C)c1ccc(SCCCSc2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1 ZINC000026655175 563034815 /nfs/dbraw/zinc/03/48/15/563034815.db2.gz RTNLRVGUFACTKC-UHFFFAOYSA-N 0 0 432.607 5.340 1 0 IKAFRN COc1ccc2cc([C@@H](C)C(=O)NCC[C@@]3(C)Cc4c(c(C)c(C)c(O)c4C)O3)ccc2c1 ZINC000026663503 563035051 /nfs/dbraw/zinc/03/50/51/563035051.db2.gz ZBVQBLJXKSYUIV-WRHNGFHOSA-N 0 0 447.575 5.483 1 0 IKAFRN COc1ccc2cc([C@@H](C)C(=O)NCC[C@]3(C)Cc4c(c(C)c(C)c(O)c4C)O3)ccc2c1 ZINC000026663509 563035103 /nfs/dbraw/zinc/03/51/03/563035103.db2.gz ZBVQBLJXKSYUIV-KWMCUTETSA-N 0 0 447.575 5.483 1 0 IKAFRN COc1ccc(-c2cc(CCC(C)C)nc3cc(OC)c(OC)c(OC)c32)cc1OC ZINC000026667477 563035224 /nfs/dbraw/zinc/03/52/24/563035224.db2.gz SYRKEPOKMUBGKH-UHFFFAOYSA-N 0 0 425.525 5.533 1 0 IKAFRN c1ccc([C@@H](CCc2nn[nH]n2)Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000026672770 563035381 /nfs/dbraw/zinc/03/53/81/563035381.db2.gz IEISNEYLXZRMDU-QHCPKHFHSA-N 0 0 435.531 5.286 1 0 IKAFRN CCCCCC(=O)O[C@@H](Cc1ccccc1)CP(=O)(OCCCC)OCCCC ZINC000026674835 563035445 /nfs/dbraw/zinc/03/54/45/563035445.db2.gz QBTLEGMUJNLRHP-QFIPXVFZSA-N 0 0 426.534 6.548 1 0 IKAFRN COC(=O)[C@@H]1CCC[C@H](Nc2n[nH]c3cccc(OCc4ccc(Cl)c(Cl)c4)c32)C1 ZINC000026718780 563035563 /nfs/dbraw/zinc/03/55/63/563035563.db2.gz PLSWPGCYLNQKDB-CABCVRRESA-N 0 0 448.350 5.592 1 0 IKAFRN CCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)ccc2ccc(OC)cc21 ZINC000026720788 563035630 /nfs/dbraw/zinc/03/56/30/563035630.db2.gz NKRDRGKMGRFQER-QGUORLBXSA-N 0 0 430.592 6.127 1 0 IKAFRN CCCCOC(=O)N[C@H](CCc1ccccc1)CP(=O)(OCCCC)OCCCC ZINC000026721040 563035676 /nfs/dbraw/zinc/03/56/76/563035676.db2.gz TZVGRCGOKJTIDT-JOCHJYFZSA-N 0 0 441.549 6.341 1 0 IKAFRN O=C(c1ccn2c1CS[C@H]2c1cccnc1)c1c[nH]c2cc(-c3ccc(F)cc3)ccc12 ZINC000026736878 563036131 /nfs/dbraw/zinc/03/61/31/563036131.db2.gz QQKLVMOIVVXRGA-SANMLTNESA-N 0 0 439.515 6.195 1 0 IKAFRN CCCSCCCC[C@@]1(Cc2ccncc2)c2ccccc2N(c2ccccc2)C1=O ZINC000026742260 563036259 /nfs/dbraw/zinc/03/62/59/563036259.db2.gz HJJRPSKLHPELJD-HHHXNRCGSA-N 0 0 430.617 6.554 1 0 IKAFRN O=C(Nc1ccc(C(=O)N2CC[C@@]3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1 ZINC000026747615 563036437 /nfs/dbraw/zinc/03/64/37/563036437.db2.gz NNNAQZQJKTVKLR-LJAQVGFWSA-N 0 0 436.555 6.258 1 0 IKAFRN CC(C)CCC(=O)N[C@@H](C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026750698 563036592 /nfs/dbraw/zinc/03/65/92/563036592.db2.gz DKWJNZDONFPNJG-CMRWJPJQSA-N 0 0 445.732 6.583 1 0 IKAFRN CCc1c(Cc2cccc3ccccc32)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O ZINC000026935971 563037937 /nfs/dbraw/zinc/03/79/37/563037937.db2.gz DACBUCXALSQBCF-UHFFFAOYSA-N 0 0 448.975 5.705 1 0 IKAFRN COc1ccc(C(=O)Nc2cc(-c3c(-c4ccc(F)cc4)nc(SC)n3C)ccn2)cc1 ZINC000026965550 563038338 /nfs/dbraw/zinc/03/83/38/563038338.db2.gz JQDHHMODXIURJP-UHFFFAOYSA-N 0 0 448.523 5.271 1 0 IKAFRN CN1c2ccc(Cl)cc2C(c2ccc(O)cc2)=N[C@@H](Cc2cccc3ccccc32)C1=O ZINC000026987650 563038688 /nfs/dbraw/zinc/03/86/88/563038688.db2.gz IHOCCMKRXBRGNF-DEOSSOPVSA-N 0 0 440.930 5.624 1 0 IKAFRN O=C(CCC1CCCCC1)Nc1ccc(Br)c(NC(=O)c2ccc(O)cc2)c1 ZINC000027078323 563039005 /nfs/dbraw/zinc/03/90/05/563039005.db2.gz PFZCTNVIVCAWQS-UHFFFAOYSA-N 0 0 445.357 5.706 1 0 IKAFRN O=C(C[C@@H]1c2ccccc2N=C(c2ccccc2)N1c1ccccc1)OCc1ccccc1 ZINC000027079160 563039064 /nfs/dbraw/zinc/03/90/64/563039064.db2.gz HCRUNIBMFJWVBU-HHHXNRCGSA-N 0 0 432.523 6.460 1 0 IKAFRN O=C(C[C@H]1c2ccccc2N=C(c2ccccc2)N1c1ccccc1)OCc1ccccc1 ZINC000027079153 563039070 /nfs/dbraw/zinc/03/90/70/563039070.db2.gz HCRUNIBMFJWVBU-MHZLTWQESA-N 0 0 432.523 6.460 1 0 IKAFRN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2nc3c(Cl)cc(Cl)cc3c(O)c21 ZINC000027085746 563039200 /nfs/dbraw/zinc/03/92/00/563039200.db2.gz KSUUITLIBWHCEY-JTQLQIEISA-N 0 0 426.221 5.766 1 0 IKAFRN CCCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000027105300 563039900 /nfs/dbraw/zinc/03/99/00/563039900.db2.gz VYNAEZGAUWDKEZ-UHFFFAOYSA-N 0 0 428.532 5.711 1 0 IKAFRN COc1ccc(C(=O)N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000027190932 563040356 /nfs/dbraw/zinc/04/03/56/563040356.db2.gz FYJBBZSDCLFIRI-JWQCQUIFSA-N 0 0 429.516 5.067 1 0 IKAFRN CCC(=O)Oc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000027205066 563040713 /nfs/dbraw/zinc/04/07/13/563040713.db2.gz FHIGSMIERHQXHH-XNMGPUDCSA-N 0 0 443.543 5.738 1 0 IKAFRN CO[C@@H]1CC(=O)O[C@@H](CCc2c(C(C)C)nn(-c3ccccc3)c2-c2ccc(F)cc2)C1 ZINC000027208402 563040911 /nfs/dbraw/zinc/04/09/11/563040911.db2.gz LTYDXOIVNZIRJH-VXKWHMMOSA-N 0 0 436.527 5.455 1 0 IKAFRN CCCCCC[C@@H](O)C[C@H]1C[C@@H]1CCCCCCCC(=O)NCc1ccc(O)c(OC)c1 ZINC000027209438 563040954 /nfs/dbraw/zinc/04/09/54/563040954.db2.gz HMAPHNNSGQIIAM-RBZQAINGSA-N 0 0 447.660 6.105 1 0 IKAFRN CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027212004 563041016 /nfs/dbraw/zinc/04/10/16/563041016.db2.gz KWNIWEQHLDTHNJ-CCTPBWNGSA-N 0 0 443.635 5.981 1 0 IKAFRN CCSc1nc2c(C)scc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027310725 563041374 /nfs/dbraw/zinc/04/13/74/563041374.db2.gz QIFKQHNMBDPDSC-UHFFFAOYSA-N 0 0 432.578 5.414 1 0 IKAFRN O=c1[nH]c(SCCCCCCCCc2cccc(Cl)c2)ncc1Cc1cccnc1 ZINC000027312089 563041398 /nfs/dbraw/zinc/04/13/98/563041398.db2.gz MHCRMMGHHPXIMA-UHFFFAOYSA-N 0 0 442.028 6.085 1 0 IKAFRN COc1ccc([C@@]2(Cc3ccncc3)CCN(CCC(C)C)C2=O)cc1OC1CCCC1 ZINC000027326145 563041599 /nfs/dbraw/zinc/04/15/99/563041599.db2.gz PDJCJBJJRNNEMG-MHZLTWQESA-N 0 0 436.596 5.171 1 0 IKAFRN O=C(Cc1c(Cl)cc(Cl)cc1Cl)C(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC000027406838 563041828 /nfs/dbraw/zinc/04/18/28/563041828.db2.gz AHNWLWUINYRJBM-UHFFFAOYSA-N 0 0 446.928 6.324 1 0 IKAFRN CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027330473 563041725 /nfs/dbraw/zinc/04/17/25/563041725.db2.gz XXIKKMLIDXLAIK-FJOBLORJSA-N 0 0 436.592 6.239 1 0 IKAFRN Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)c(Cl)c2)n2ccnc2)c(Cl)c1 ZINC000027425316 563042217 /nfs/dbraw/zinc/04/22/17/563042217.db2.gz ZOYMPLYCEMBDBQ-HXUWFJFHSA-N 0 0 437.157 7.130 1 0 IKAFRN CCCN(CCC)C(=O)Cc1c2[nH]c3ccccc3cc-2c(=O)n1-c1ccc(Cl)cc1 ZINC000027425547 563042234 /nfs/dbraw/zinc/04/22/34/563042234.db2.gz MGBJMRGOZHRJIU-JOCHJYFZSA-N 0 0 435.955 5.628 1 0 IKAFRN CCC[C@]1(CCc2ccccc2)C=c2oc(=O)c([C@@H](CC)c3ccccc3)c(O)c2=CC1 ZINC000027436271 563042389 /nfs/dbraw/zinc/04/23/89/563042389.db2.gz CJXXEMIEEYSUCT-MUAVYFROSA-N 0 0 428.572 5.271 1 0 IKAFRN CCOP(=O)(OCC)C(C[C@H]1COc2ccccc2C1=O)P(=O)(OCC)OCC ZINC000027443393 563042464 /nfs/dbraw/zinc/04/24/64/563042464.db2.gz WKLMJCBJFBIDMO-HNNXBMFYSA-N 0 0 448.389 5.126 1 0 IKAFRN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000027518512 563042604 /nfs/dbraw/zinc/04/26/04/563042604.db2.gz BSKZEFDGUVHSOS-UHFFFAOYSA-N 0 0 433.147 7.068 1 0 IKAFRN C[C@@H](COCCCC(C)(C)O)[C@H]1CC[C@H]2C(c3ccc(CO)c(CO)c3)=CCC[C@@]21C ZINC000027520789 563042757 /nfs/dbraw/zinc/04/27/57/563042757.db2.gz CNNYTDYVIRAUPZ-AIXNUKSASA-N 0 0 430.629 5.085 1 0 IKAFRN O=C1CC[C@]2(c3ccc4oc5ccccc5c4c3)O[C@@H](COc3ccc(Cl)cc3)CN12 ZINC000027522776 563042793 /nfs/dbraw/zinc/04/27/93/563042793.db2.gz DKZOJMVAJSGTQF-KBMIEXCESA-N 0 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CC(C)(C)C(=O)c1ccc(CSCCSCc2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000027562536 563044331 /nfs/dbraw/zinc/04/43/31/563044331.db2.gz FCFBHAUSWYNSDQ-UHFFFAOYSA-N 0 0 442.690 7.311 1 0 IKAFRN CC(C)(C)C(=O)c1ccc(COC/C=C/COCc2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000027564694 563044430 /nfs/dbraw/zinc/04/44/30/563044430.db2.gz XACHTAUENSTFFH-BQYQJAHWSA-N 0 0 436.592 6.434 1 0 IKAFRN S=C(/N=c1\snc(Nc2ccccc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000027628955 563044710 /nfs/dbraw/zinc/04/47/10/563044710.db2.gz GEUCUNZKXCPSET-DAFNUICNSA-N 0 0 437.981 5.629 1 0 IKAFRN O=C(CC[C@@H](Oc1ccccc1F)c1ccccc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000027629505 563044760 /nfs/dbraw/zinc/04/47/60/563044760.db2.gz PIUANXMLIAHKBU-AREMUKBSSA-N 0 0 435.514 6.351 1 0 IKAFRN COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=S)cc1[C@@H](NC(C)=S)CC2 ZINC000027637494 563044876 /nfs/dbraw/zinc/04/48/76/563044876.db2.gz XFLUACCWASGIOF-INIZCTEOSA-N 0 0 447.647 5.755 1 0 IKAFRN CC(C)c1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000027656994 563045331 /nfs/dbraw/zinc/04/53/31/563045331.db2.gz YLQGWEPVRMDOKD-ITWZMISCSA-N 0 0 431.507 5.758 1 0 IKAFRN O=C(CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccs1 ZINC000027713074 563045624 /nfs/dbraw/zinc/04/56/24/563045624.db2.gz MXSXCUIOSVDDRF-UHFFFAOYSA-N 0 0 436.527 5.991 1 0 IKAFRN O[C@@H](CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccs1 ZINC000027712589 563045652 /nfs/dbraw/zinc/04/56/52/563045652.db2.gz RQOMKYBFUBMKFV-DEOSSOPVSA-N 0 0 438.543 5.842 1 0 IKAFRN O[C@@H](CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccnc1 ZINC000027718308 563045781 /nfs/dbraw/zinc/04/57/81/563045781.db2.gz VWNHIXVNJUPJSK-SANMLTNESA-N 0 0 433.502 5.176 1 0 IKAFRN Cc1ccc([C@H](O)CCCN2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000027730822 563046112 /nfs/dbraw/zinc/04/61/12/563046112.db2.gz LCXSZEFSNFTEGI-MUUNZHRXSA-N 0 0 446.541 6.089 1 0 IKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)OC(c1ccccn1)c1ccccn1 ZINC000027768786 563047056 /nfs/dbraw/zinc/04/70/56/563047056.db2.gz IUFJUVAKIBIXPG-UHFFFAOYSA-N 0 0 431.536 5.385 1 0 IKAFRN O=S(=O)(/C=C/c1ccc(Cl)cc1)Cc1ccc(Nc2ncnc3ccccc32)cc1 ZINC000027768514 563047127 /nfs/dbraw/zinc/04/71/27/563047127.db2.gz POOUBDQMQREYRX-BUHFOSPRSA-N 0 0 435.936 5.613 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@@H]2[C@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027769785 563047209 /nfs/dbraw/zinc/04/72/09/563047209.db2.gz IVUIXSSVHYSIAB-FLOHYBAWSA-N 0 0 430.717 6.996 1 0 IKAFRN c1cn(CC(Sc2ccccc2)(Sc2ccccc2)c2ccc3ccccc3c2)cn1 ZINC000027769958 563047218 /nfs/dbraw/zinc/04/72/18/563047218.db2.gz USHTVEVFQJDKOE-UHFFFAOYSA-N 0 0 438.621 7.474 1 0 IKAFRN CCc1nn(CC(F)(F)F)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl ZINC000027855755 563047397 /nfs/dbraw/zinc/04/73/97/563047397.db2.gz UTSREJDFPMOBHX-UHFFFAOYSA-N 0 0 446.941 6.414 1 0 IKAFRN COc1ccc([C@@H]2[C@@H]([P@](=O)(CCc3ccccc3)OC)C(=O)N2c2ccccc2)cc1 ZINC000027871643 563047669 /nfs/dbraw/zinc/04/76/69/563047669.db2.gz VPPSDHCSQXXICK-GQIGMWPISA-N 0 0 435.460 5.319 1 0 IKAFRN 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5.607 1 0 IKAFRN Cc1ccc(NC(=O)COc2ccc(C(=O)Nc3cccc(F)c3)c3ccccc23)c(C)c1 ZINC000028364549 563053618 /nfs/dbraw/zinc/05/36/18/563053618.db2.gz GFWGCJODKALGPX-UHFFFAOYSA-N 0 0 442.490 5.866 1 0 IKAFRN C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1cc2ccccc2o1 ZINC000028367324 563053668 /nfs/dbraw/zinc/05/36/68/563053668.db2.gz NNWURAXVOOSEGP-HNNXBMFYSA-N 0 0 433.508 5.872 1 0 IKAFRN C[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1cc2ccccc2o1 ZINC000028367320 563053693 /nfs/dbraw/zinc/05/36/93/563053693.db2.gz NNWURAXVOOSEGP-OAHLLOKOSA-N 0 0 433.508 5.872 1 0 IKAFRN Cc1cc(=O)c(Oc2ccc(Cl)cc2Cl)c(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000028369969 563053768 /nfs/dbraw/zinc/05/37/68/563053768.db2.gz BSIVILSRVBLGQR-UHFFFAOYSA-N 0 0 425.289 5.118 1 0 IKAFRN COc1cc(NC(=S)N[C@H](C)c2ccc(F)cc2)ccc1NC(=O)c1ccccc1F ZINC000028369438 563053776 /nfs/dbraw/zinc/05/37/76/563053776.db2.gz FAKLTJLEHBRFDK-CQSZACIVSA-N 0 0 441.503 5.273 1 0 IKAFRN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12 ZINC000028377662 563053973 /nfs/dbraw/zinc/05/39/73/563053973.db2.gz CVKDPCIOJHKOEZ-UHFFFAOYSA-N 0 0 443.469 5.570 1 0 IKAFRN COc1c(Cl)cc(-c2c(F)c(F)ccc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000028385260 563054174 /nfs/dbraw/zinc/05/41/74/563054174.db2.gz YUQYZDNMEBIRGT-UHFFFAOYSA-N 0 0 444.286 5.262 1 0 IKAFRN COc1ccc(-c2c(N)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2SC)cc1 ZINC000028385796 563054181 /nfs/dbraw/zinc/05/41/81/563054181.db2.gz JQHJWKNJYLNAFL-UHFFFAOYSA-N 0 0 448.297 6.178 1 0 IKAFRN Cc1ccc(NC(=O)Nc2cccc3n[nH]cc32)cc1Nc1nccc(-c2cccnc2)n1 ZINC000028392797 563054455 /nfs/dbraw/zinc/05/44/55/563054455.db2.gz YQZCAZSMWNCOFP-UHFFFAOYSA-N 0 0 436.479 5.111 1 0 IKAFRN COc1cc2ncnc(Nc3ccc(Cl)c(NC(=O)c4ccccc4)c3)c2cc1OC ZINC000028392507 563054497 /nfs/dbraw/zinc/05/44/97/563054497.db2.gz YAYKCQATWACEFT-UHFFFAOYSA-N 0 0 434.883 5.296 1 0 IKAFRN CNC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(c1ccccc1)c1ccccc1 ZINC000028394101 563054585 /nfs/dbraw/zinc/05/45/85/563054585.db2.gz WMBXVDNHHDNYRO-XMMPIXPASA-N 0 0 430.548 5.165 1 0 IKAFRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCCCCCCCCCCCCCO)O2 ZINC000028395946 563054626 /nfs/dbraw/zinc/05/46/26/563054626.db2.gz APJCDSCYPWZLMY-GDLZYMKVSA-N 0 0 446.716 8.245 1 0 IKAFRN Cc1ccc(NC(=O)Nc2cccc3ncccc32)cc1Nc1nccc(-c2cccnc2)n1 ZINC000028455537 563054735 /nfs/dbraw/zinc/05/47/35/563054735.db2.gz VSMGORHWKTUGIL-UHFFFAOYSA-N 0 0 447.502 5.783 1 0 IKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OCCO)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000028458984 563055032 /nfs/dbraw/zinc/05/50/32/563055032.db2.gz NPYXBHZQVNRAOF-DWIAPBCLSA-N 0 0 430.717 7.405 1 0 IKAFRN COc1ccc(Nc2nc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3s2)cc1 ZINC000028461000 563055115 /nfs/dbraw/zinc/05/51/15/563055115.db2.gz KGSIVIWMESCMJY-UHFFFAOYSA-N 0 0 444.343 6.608 1 0 IKAFRN Cn1cc(-c2cccc3ccccc32)c([C@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 ZINC000028466915 563055391 /nfs/dbraw/zinc/05/53/91/563055391.db2.gz CHNKNGSGNRZHCK-VWLOTQADSA-N 0 0 432.354 6.986 1 0 IKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3cccc(OC)c3)cc2)C(=O)C(C)C)c1 ZINC000028470840 563055437 /nfs/dbraw/zinc/05/54/37/563055437.db2.gz JKWAPOKNZVSKKK-DTQAZKPQSA-N 0 0 443.543 5.738 1 0 IKAFRN CCn1cc(-c2cccc3ccccc32)c([C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 ZINC000028468897 563055456 /nfs/dbraw/zinc/05/54/56/563055456.db2.gz OGUXNYIWVMPLKT-AREMUKBSSA-N 0 0 446.381 7.469 1 0 IKAFRN FC(F)(F)c1ccc(Oc2nc(Nc3ccc4[nH]cnc4c3)ncc2C(F)(F)F)cc1 ZINC000028520254 563055810 /nfs/dbraw/zinc/05/58/10/563055810.db2.gz PDMPDEDJCANOBT-UHFFFAOYSA-N 0 0 439.319 5.926 1 0 IKAFRN C[C@@H](CCCN1CCN(c2ccncc2)C1=O)COc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000028520368 563055840 /nfs/dbraw/zinc/05/58/40/563055840.db2.gz KVUGCUNKQIFODJ-FQEVSTJZSA-N 0 0 449.982 6.139 1 0 IKAFRN C[C@H](CCCN1CCN(c2ccncc2)C1=O)COc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000028520370 563055925 /nfs/dbraw/zinc/05/59/25/563055925.db2.gz KVUGCUNKQIFODJ-HXUWFJFHSA-N 0 0 449.982 6.139 1 0 IKAFRN C[C@H](CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028521364 563056039 /nfs/dbraw/zinc/05/60/39/563056039.db2.gz MKZAASYEYXYPHA-FQEVSTJZSA-N 0 0 449.982 6.139 1 0 IKAFRN Cn1cncc1[C@@](O)(c1ccccc1)c1ccc2ccn(-c3cccc4ccccc43)c2c1 ZINC000028523308 563056177 /nfs/dbraw/zinc/05/61/77/563056177.db2.gz ISMWSFRHVODFBY-GDLZYMKVSA-N 0 0 429.523 5.801 1 0 IKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(Cl)s1 ZINC000028523615 563056293 /nfs/dbraw/zinc/05/62/93/563056293.db2.gz DEOMFWBIPHAVQN-YSZBQJHXSA-N 0 0 428.960 6.206 1 0 IKAFRN CCOc1cccc(C(=O)N2CCCC2)c1OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028524541 563056552 /nfs/dbraw/zinc/05/65/52/563056552.db2.gz VITMAPZLTJXIFP-UHFFFAOYSA-N 0 0 442.968 5.677 1 0 IKAFRN CC(C)(C)CC(=O)Nc1ccc2c(cc(C(=O)Nc3ccccc3)n2-c2ccccc2)c1 ZINC000028525683 563056805 /nfs/dbraw/zinc/05/68/05/563056805.db2.gz QWXROKHIIPINNR-UHFFFAOYSA-N 0 0 425.532 6.258 1 0 IKAFRN O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCCCCCCn1cc2c2ccccc21 ZINC000028529038 563057254 /nfs/dbraw/zinc/05/72/54/563057254.db2.gz VLJICPHLGBCPJK-UHFFFAOYSA-N 0 0 437.543 5.517 1 0 IKAFRN O=C(N[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1)c1ccc(-c2cccs2)cc1 ZINC000028529639 563057358 /nfs/dbraw/zinc/05/73/58/563057358.db2.gz OLTXDAOJPSBTJD-SFHVURJKSA-N 0 0 431.388 5.726 1 0 IKAFRN O=c1cc(N2CCOCC2)oc2cc(-c3cccc4c3Oc3ccccc3S4)ccc12 ZINC000028530019 563057446 /nfs/dbraw/zinc/05/74/46/563057446.db2.gz LELYZTUZFWRTSO-UHFFFAOYSA-N 0 0 429.497 5.554 1 0 IKAFRN O=C(Nc1ccc(Br)cc1)c1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000028530857 563057577 /nfs/dbraw/zinc/05/75/77/563057577.db2.gz ZAVRPFJTAGAZMR-UHFFFAOYSA-N 0 0 442.165 6.056 1 0 IKAFRN CCC(CC)n1cnc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)c1=O ZINC000028568943 563058632 /nfs/dbraw/zinc/05/86/32/563058632.db2.gz QLIMCNSKOVRYLW-UHFFFAOYSA-N 0 0 427.335 5.917 1 0 IKAFRN CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000028569236 563058675 /nfs/dbraw/zinc/05/86/75/563058675.db2.gz AHQRPBWVJHINRW-SDOVIQJDSA-N 0 0 426.685 7.124 1 0 in-vivo IKAFRN CCOc1ccc(-n2c(C)c3c(c2C)c(N[C@@H]2CCCc4ccccc42)nnc3C)cc1 ZINC000028569195 563058688 /nfs/dbraw/zinc/05/86/88/563058688.db2.gz XKQYDHIRBXOJDH-XMMPIXPASA-N 0 0 426.564 6.234 1 0 IKAFRN CCC[C@@H](O)c1cnc([C@H](C)CC)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569222 563058716 /nfs/dbraw/zinc/05/87/16/563058716.db2.gz YPDHBJDSZAAURZ-MLGOLLRUSA-N 0 0 438.412 5.532 1 0 IKAFRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000028569337 563058769 /nfs/dbraw/zinc/05/87/69/563058769.db2.gz CIZGZRCBMJRIFK-BQXLQTKJSA-N 0 0 430.717 6.996 1 0 in-vivo IKAFRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000028569335 563058772 /nfs/dbraw/zinc/05/87/72/563058772.db2.gz CIZGZRCBMJRIFK-QZLGOQTBSA-N 0 0 430.717 6.996 1 0 in-vivo IKAFRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000028569331 563058793 /nfs/dbraw/zinc/05/87/93/563058793.db2.gz OZIAZQBXQMKSLA-AAYBODKWSA-N 0 0 446.716 6.111 1 0 in-vivo IKAFRN CC[C@@H](C)c1ncc([C@H](O)C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569297 563058833 /nfs/dbraw/zinc/05/88/33/563058833.db2.gz KIYFWZZYGGXOPQ-MLGOLLRUSA-N 0 0 438.412 5.387 1 0 IKAFRN C[C@H](OC[C@]1(c2ccccc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028569937 563059008 /nfs/dbraw/zinc/05/90/08/563059008.db2.gz HGPMXNZOBKZRFR-SGTLLEGYSA-N 0 0 432.364 5.010 1 0 IKAFRN O=C([O-])C[C@@H](Cc1csc(CCCc2ccc3c([nH+]2)NCCC3)n1)c1cccc(F)c1 ZINC000028570413 563059082 /nfs/dbraw/zinc/05/90/82/563059082.db2.gz UVNKAYDKTALKMK-GOSISDBHSA-N 0 0 439.556 5.012 1 0 IKAFRN C[C@@H](OC[C@@]1(c2ccccc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028570296 563059105 /nfs/dbraw/zinc/05/91/05/563059105.db2.gz HGPMXNZOBKZRFR-KZULUSFZSA-N 0 0 432.364 5.010 1 0 IKAFRN COc1ccc(NCCNC(=O)[C@@H](CC(C)C)Oc2cccc(-c3ccccc3)c2)cc1 ZINC000028571000 563059216 /nfs/dbraw/zinc/05/92/16/563059216.db2.gz KHMYUVAMTZRUJI-AREMUKBSSA-N 0 0 432.564 5.384 1 0 IKAFRN CC(C)CO[C@H]1[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H](c2ccccc2)[C@@H]1OCC(C)C ZINC000028571465 563059265 /nfs/dbraw/zinc/05/92/65/563059265.db2.gz DGUOKZVYZOMYSI-IQKWJPHWSA-N 0 0 440.580 5.323 1 0 IKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc4cc(-c5ccsc5)ccc4n3)[C@H]12 ZINC000028571718 563059363 /nfs/dbraw/zinc/05/93/63/563059363.db2.gz LPZKLOBYGQYQQL-RKIHOISDSA-N 0 0 443.612 6.981 1 0 IKAFRN COc1ccc(CC[C@H](O)[C@@H]2CCC[C@H]2C(=O)NCc2cc(Cl)cc(Cl)c2)cc1 ZINC000028571837 563059365 /nfs/dbraw/zinc/05/93/65/563059365.db2.gz LZRBUCARILGKPQ-VSKRKVRLSA-N 0 0 436.379 5.028 1 0 IKAFRN CCCOP(=O)(OCCC)[C@@H](Nc1nc2c(cccc2C)s1)c1ccccc1F ZINC000028571716 563059372 /nfs/dbraw/zinc/05/93/72/563059372.db2.gz JXMNFGUVELJIET-HXUWFJFHSA-N 0 0 436.489 6.901 1 0 IKAFRN Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(Oc3ccccc3)cc2)o1 ZINC000028571857 563059404 /nfs/dbraw/zinc/05/94/04/563059404.db2.gz LBNQBIKRUIZUED-UHFFFAOYSA-N 0 0 439.479 5.013 1 0 IKAFRN COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc(OCc4ccccc4)cc3)[C@H]1CC2 ZINC000028635019 563059788 /nfs/dbraw/zinc/05/97/88/563059788.db2.gz UCAGFTOKCNOUHE-IGKIAQTJSA-N 0 0 426.516 5.144 1 0 IKAFRN CNC(=O)CCCCCCC[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 ZINC000028640914 563060164 /nfs/dbraw/zinc/06/01/64/563060164.db2.gz CXUSCSFPEJRLOW-VIKFGFHOSA-N 0 0 445.688 5.662 1 0 IKAFRN C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCC(N)=O)C[C@H]1CC(=O)CC[C@@]13C ZINC000028640912 563060170 /nfs/dbraw/zinc/06/01/70/563060170.db2.gz BZLBFBAKHHAXJU-IBTVHNEASA-N 0 0 431.661 5.401 1 0 IKAFRN CC(C)(C)OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028640732 563060172 /nfs/dbraw/zinc/06/01/72/563060172.db2.gz DTMFKONFVRUAQO-UHFFFAOYSA-N 0 0 448.692 6.497 1 0 IKAFRN CC(C)NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028641496 563060265 /nfs/dbraw/zinc/06/02/65/563060265.db2.gz JMTHEQXHYJDASB-UHFFFAOYSA-N 0 0 433.681 5.680 1 0 IKAFRN C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@H]1[C@@]3(C)CC[C@@]4(C)C[C@@H](O)C(C)(C)C[C@@H]4[C@]3(C)CC[C@]12C ZINC000028642938 563060608 /nfs/dbraw/zinc/06/06/08/563060608.db2.gz VLNRAGRUEHHINT-ARKJYHPPSA-N 0 0 442.728 7.428 1 0 IKAFRN C/C(=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)C(C)C ZINC000028646755 563060811 /nfs/dbraw/zinc/06/08/11/563060811.db2.gz BTLJUKNIXFTSMI-DFWJFPTDSA-N 0 0 440.756 8.415 1 0 IKAFRN CC(C)CCC[C@@H](C)C1=CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C ZINC000028646922 563060885 /nfs/dbraw/zinc/06/08/85/563060885.db2.gz NLANPOBFDZLZEK-LWMHBJGISA-N 0 0 426.729 8.169 1 0 IKAFRN O=C(NN1CCCCC1)c1cnc(-c2ccccc2Cl)c(-c2ccccc2Cl)n1 ZINC000028648878 563060955 /nfs/dbraw/zinc/06/09/55/563060955.db2.gz SELNPJHTVVHETF-UHFFFAOYSA-N 0 0 427.335 5.248 1 0 IKAFRN Cc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1 ZINC000028702518 563061573 /nfs/dbraw/zinc/06/15/73/563061573.db2.gz TXPKFNIFJFZBOS-PMACEKPBSA-N 0 0 444.362 5.188 1 0 IKAFRN COc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2NC(=O)C3)cc1Cl ZINC000028704101 563061822 /nfs/dbraw/zinc/06/18/22/563061822.db2.gz BGLWTETTZWWKGY-UHFFFAOYSA-N 0 0 426.903 6.239 1 0 IKAFRN O=C(CCCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)N1CCOCC1 ZINC000028704737 563061903 /nfs/dbraw/zinc/06/19/03/563061903.db2.gz IUFXFRHPMGLHCZ-UHFFFAOYSA-N 0 0 431.363 5.178 1 0 IKAFRN CCCCCC[C@@H](c1cc(=O)oc2cc(OC(C)=O)ccc21)S(=O)(=O)c1ccccc1 ZINC000028709427 563062409 /nfs/dbraw/zinc/06/24/09/563062409.db2.gz CKXAUWSOCFTXQY-QHCPKHFHSA-N 0 0 442.533 5.204 1 0 IKAFRN Fc1cccc(F)c1Cn1c2ccc(Br)cc2nc1-c1c(F)cccc1F ZINC000028710969 563062733 /nfs/dbraw/zinc/06/27/33/563062733.db2.gz VHEOMPWIDFMXKI-UHFFFAOYSA-N 0 0 435.218 6.071 1 0 IKAFRN O=c1cc(CNc2nc(-c3cc4ccccc4oc3=O)cs2)c2ccc(Cl)cc2[nH]1 ZINC000028712482 563062973 /nfs/dbraw/zinc/06/29/73/563062973.db2.gz CGTSRMDTQGZUIH-UHFFFAOYSA-N 0 0 435.892 5.024 1 0 IKAFRN Clc1ccc(CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2cncnc2)cc1 ZINC000028766198 563064054 /nfs/dbraw/zinc/06/40/54/563064054.db2.gz RQCVAFYKAVUKTO-UHFFFAOYSA-N 0 0 439.773 7.014 1 0 IKAFRN CCN[C@@H](c1c(Cl)cc(O)cc1Cl)[C@@H](NCC)c1c(Cl)cc(O)cc1Cl ZINC000028769569 563064292 /nfs/dbraw/zinc/06/42/92/563064292.db2.gz UZLSQSZSEHSGNT-ROUUACIJSA-N 0 0 438.182 5.713 1 0 IKAFRN O=c1c(-c2ccccc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn1CCO ZINC000028772299 563064388 /nfs/dbraw/zinc/06/43/88/563064388.db2.gz AZNCBSMKOFLMRX-UHFFFAOYSA-N 0 0 437.326 5.543 1 0 IKAFRN FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(C(F)(F)F)cc1 ZINC000028817607 563064686 /nfs/dbraw/zinc/06/46/86/563064686.db2.gz XTBRSVARDBNPGK-UHFFFAOYSA-N 0 0 427.175 6.515 1 0 IKAFRN FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1-c1cccnc1 ZINC000028817697 563064691 /nfs/dbraw/zinc/06/46/91/563064691.db2.gz HOVZLCSXFVWVFT-UHFFFAOYSA-N 0 0 436.264 6.558 1 0 IKAFRN CC[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000028820725 563065279 /nfs/dbraw/zinc/06/52/79/563065279.db2.gz ZRSYVTWEOKQGPM-ZDUSSCGKSA-N 0 0 431.772 5.428 1 0 IKAFRN CCOC(=O)CCCCOc1ccc(-n2cnc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000028821697 563065471 /nfs/dbraw/zinc/06/54/71/563065471.db2.gz SNQJSLDTTMYDNY-UHFFFAOYSA-N 0 0 440.543 6.319 1 0 IKAFRN CCOC(=O)C[C@H](CC)CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1 ZINC000028821676 563065482 /nfs/dbraw/zinc/06/54/82/563065482.db2.gz OKDHVEOGLQXMFU-HSZRJFAPSA-N 0 0 432.608 7.065 1 0 IKAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2n1CCc1ccncc1 ZINC000028822065 563065542 /nfs/dbraw/zinc/06/55/42/563065542.db2.gz CADQDVLTKKUDEL-UHFFFAOYSA-N 0 0 425.410 5.430 1 0 IKAFRN CCOC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 ZINC000028822098 563065590 /nfs/dbraw/zinc/06/55/90/563065590.db2.gz XNBJPXOJYKURSF-UHFFFAOYSA-N 0 0 438.793 5.682 1 0 IKAFRN COc1cc(-c2csc3ccnc(N)c32)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822600 563065757 /nfs/dbraw/zinc/06/57/57/563065757.db2.gz QOGABFPXGGFNMO-UHFFFAOYSA-N 0 0 428.517 5.298 1 0 IKAFRN Cn1nc(C(F)(F)F)c(C=C2SC(=S)NC2=O)c1SCc1ccccc1Cl ZINC000028822809 563065807 /nfs/dbraw/zinc/06/58/07/563065807.db2.gz CIDAYBAUCJLJBS-WDZFZDKYSA-N 0 0 449.932 5.714 1 0 IKAFRN O=C1OC[C@H]2[C@@H]1Cc1ccc(Cl)cc1[C@@H]2/C=C/c1ccc(-c2cccc(Cl)c2)cn1 ZINC000028823196 563065893 /nfs/dbraw/zinc/06/58/93/563065893.db2.gz LVPVKZQREAQZCU-TVUVQBGUSA-N 0 0 436.338 6.198 1 0 IKAFRN COc1ccc2cc([C@H](C)c3nnc4sc(Nc5ccc(C)cc5C)nn43)ccc2c1 ZINC000028823139 563065897 /nfs/dbraw/zinc/06/58/97/563065897.db2.gz FQJFXDYWRYGLGE-INIZCTEOSA-N 0 0 429.549 5.860 1 0 IKAFRN COc1ccc2cc(-c3nc(-c4ccc(SC)cc4C)[nH]c3-c3ccncc3)ccc2c1 ZINC000028824347 563066030 /nfs/dbraw/zinc/06/60/30/563066030.db2.gz NZEMUNMTQSUYET-UHFFFAOYSA-N 0 0 437.568 6.998 1 0 IKAFRN COc1ccc2cc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccncc3)ccc2c1 ZINC000028824343 563066049 /nfs/dbraw/zinc/06/60/49/563066049.db2.gz VMNHHXKKCJDTHU-UHFFFAOYSA-N 0 0 446.337 7.274 1 0 IKAFRN C=C/C(C)=C/CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C ZINC000028825340 563066267 /nfs/dbraw/zinc/06/62/67/563066267.db2.gz AERHIDACXVSXPV-KWZKBFGLSA-N 0 0 438.740 8.335 1 0 IKAFRN CC[C@]1(C[C@](O)(Cc2cc(Cl)nc3ccccc23)C(F)(F)F)CCCc2ccccc21 ZINC000028826173 563066405 /nfs/dbraw/zinc/06/64/05/563066405.db2.gz HCXOEHYNUWUKAG-DNQXCXABSA-N 0 0 447.928 6.799 1 0 IKAFRN CC[C@@]1(C[C@](O)(CNc2cccc3ncccc32)C(F)(F)F)CCCc2ccccc21 ZINC000028826203 563066417 /nfs/dbraw/zinc/06/64/17/563066417.db2.gz HOGKUWCBDMVMEX-ZEQRLZLVSA-N 0 0 428.498 6.015 1 0 IKAFRN Cc1ccc2c(cccc2NC[C@@](O)(C[C@@]2(C)CCCc3ccccc32)C(F)(F)F)n1 ZINC000028826273 563066485 /nfs/dbraw/zinc/06/64/85/563066485.db2.gz DHLZHFIJSYWCJK-RPWUZVMVSA-N 0 0 428.498 5.933 1 0 IKAFRN Cc1ccc2c(cccc2NC[C@](O)(C[C@@]2(C)CCCc3ccccc32)C(F)(F)F)n1 ZINC000028826274 563066499 /nfs/dbraw/zinc/06/64/99/563066499.db2.gz DHLZHFIJSYWCJK-DNQXCXABSA-N 0 0 428.498 5.933 1 0 IKAFRN CCc1c(=O)[nH]c(SC/C=C/c2ccc(OC)cc2)nc1[C@@H](C)c1c(F)cccc1F ZINC000028862981 563067023 /nfs/dbraw/zinc/06/70/23/563067023.db2.gz OECNIUHFFLGGCJ-LFAOLKIESA-N 0 0 442.531 5.576 1 0 IKAFRN COc1ccc(/C=C/Sc2nc([C@@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862934 563067084 /nfs/dbraw/zinc/06/70/84/563067084.db2.gz QOCLMWVUQITJAT-YLSINNKHSA-N 0 0 447.387 6.309 1 0 IKAFRN C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C4=CCCO[C@@H]4C3)CCC[C@@]21C ZINC000028865757 563067107 /nfs/dbraw/zinc/06/71/07/563067107.db2.gz LFHQKMQIKUQKFP-AGPZDASYSA-N 0 0 442.684 6.503 1 0 IKAFRN CCCCCn1c(C)c(C(=O)N[C@H](C)c2cccc3ccccc32)c(=O)c2ccccc21 ZINC000028864476 563067113 /nfs/dbraw/zinc/06/71/13/563067113.db2.gz AMNKMCZYVZYAJJ-LJQANCHMSA-N 0 0 426.560 6.144 1 0 IKAFRN COc1ccc(/C(=C/C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)cc1 ZINC000028863844 563067125 /nfs/dbraw/zinc/06/71/25/563067125.db2.gz CCQJKENNJZWBPS-HKOYGPOVSA-N 0 0 443.543 5.834 1 0 IKAFRN O=C1C[C@H](O)C[C@@H](/C=C/c2cnc3c(F)c(F)c(F)cc3c2Sc2ccc(F)cc2)O1 ZINC000028876024 563067668 /nfs/dbraw/zinc/06/76/68/563067668.db2.gz UTEHRFLKVCTLLD-NYPSOXPFSA-N 0 0 449.425 5.022 1 0 IKAFRN COC(=O)[C@@H](NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br)C(C)C ZINC000028878281 563067749 /nfs/dbraw/zinc/06/77/49/563067749.db2.gz KKUYAUHIGJOTEH-OMAVNLQESA-N 0 0 428.411 5.298 1 0 IKAFRN CS(=O)(=O)c1cccc(-c2cnc(N)c3c(-c4ccc(F)c(Cl)c4)csc32)c1 ZINC000028884803 563068005 /nfs/dbraw/zinc/06/80/05/563068005.db2.gz NXQBRUJRHTXZMO-UHFFFAOYSA-N 0 0 432.929 5.409 1 0 IKAFRN Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccc(OC(F)F)cc4)c3)c12 ZINC000028885391 563068051 /nfs/dbraw/zinc/06/80/51/563068051.db2.gz NFJDCYPBDMRCQR-UHFFFAOYSA-N 0 0 436.462 5.426 1 0 IKAFRN CCc1ncnc(N[C@@H](CC)c2ccc(Oc3ccc(F)cc3)cc2)c1Br ZINC000028887710 563068125 /nfs/dbraw/zinc/06/81/25/563068125.db2.gz KBDGYVHAVXZGBP-SFHVURJKSA-N 0 0 430.321 6.296 1 0 IKAFRN COc1ccccc1-c1ccc2c(c1)c(CC(N)=O)cn2Cc1cccc(C(F)(F)F)c1 ZINC000028888311 563068226 /nfs/dbraw/zinc/06/82/26/563068226.db2.gz KJYBRNSENNOMMN-UHFFFAOYSA-N 0 0 438.449 5.412 1 0 IKAFRN CCc1nc(C)nc(N[C@H](CC)c2ccc(Oc3ccc(F)cc3)cc2)c1Br ZINC000028887727 563068227 /nfs/dbraw/zinc/06/82/27/563068227.db2.gz KSBXLJJMFBWSGZ-LJQANCHMSA-N 0 0 444.348 6.605 1 0 IKAFRN CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028896221 563068838 /nfs/dbraw/zinc/06/88/38/563068838.db2.gz MNGAHCKMHAASEW-HPWKXKAUSA-N 0 0 444.446 8.464 1 0 IKAFRN CNc1ncnc(-c2cccnc2Oc2cccc(NC(=O)c3cccc(C(C)C)c3)c2)n1 ZINC000028896891 563068842 /nfs/dbraw/zinc/06/88/42/563068842.db2.gz ROJPTCGXRHNIRD-UHFFFAOYSA-N 0 0 440.507 5.143 1 0 IKAFRN CC(C)C[C@@H](CO)NC(=O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 ZINC000028900438 563069008 /nfs/dbraw/zinc/06/90/08/563069008.db2.gz IQWPULXCADODAK-IBGZPJMESA-N 0 0 444.362 5.254 1 0 IKAFRN COc1ccc(-n2c(SC(=O)c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000028948784 563069289 /nfs/dbraw/zinc/06/92/89/563069289.db2.gz AANMHTFTTWBKJI-UHFFFAOYSA-N 0 0 448.569 5.267 1 0 IKAFRN O=C(Nc1nc(-c2ccc(Cl)cc2F)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952597 563069884 /nfs/dbraw/zinc/06/98/84/563069884.db2.gz BIAWXJBCVSFUFA-UHFFFAOYSA-N 0 0 425.876 5.389 1 0 IKAFRN CCCCO[C@@H]1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2Cc1ccc(OC)cc1 ZINC000028955718 563070175 /nfs/dbraw/zinc/07/01/75/563070175.db2.gz IQJCGHDYWVKWOG-MUUNZHRXSA-N 0 0 439.555 6.253 1 0 IKAFRN CCCCO[C@H]1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2Cc1ccc(OC)cc1 ZINC000028955720 563070199 /nfs/dbraw/zinc/07/01/99/563070199.db2.gz IQJCGHDYWVKWOG-NDEPHWFRSA-N 0 0 439.555 6.253 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@@H]1CCc2cc(F)ccc2[C@H]1Cc1cccs1 ZINC000028959295 563070604 /nfs/dbraw/zinc/07/06/04/563070604.db2.gz JKABFGLBOSYBEB-ISKFKSNPSA-N 0 0 431.536 5.898 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@@H]1CCc2c(Cl)cccc2[C@@H]1Cc1ccccc1 ZINC000028959224 563070614 /nfs/dbraw/zinc/07/06/14/563070614.db2.gz IGLYWXHZBJDYEO-JYFHCDHNSA-N 0 0 441.962 6.351 1 0 IKAFRN O=C(Nc1cccc2cnccc21)N[C@@H]1CCc2cc(Cl)ccc2[C@H]1Cc1ccccc1 ZINC000028959239 563070635 /nfs/dbraw/zinc/07/06/35/563070635.db2.gz RHIDQKHRPVMEGG-AOYPEHQESA-N 0 0 441.962 6.351 1 0 IKAFRN COc1ccc2c(c1)CC[C@H](NC(=O)Nc1cccc3cnccc31)[C@@H]2Cc1cccnc1 ZINC000028959314 563070671 /nfs/dbraw/zinc/07/06/71/563070671.db2.gz LNMXHEJXRPUGBT-RSXGOPAZSA-N 0 0 438.531 5.101 1 0 IKAFRN O=C(Nc1cccc2n[nH]cc21)N[C@H]1CCc2c1cccc2N1CCC(C(F)(F)F)CC1 ZINC000028964715 563070954 /nfs/dbraw/zinc/07/09/54/563070954.db2.gz TZTRDENRXZLOMH-IBGZPJMESA-N 0 0 443.473 5.151 1 0 IKAFRN CC(C)Nc1ccn2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1 ZINC000029039866 563071908 /nfs/dbraw/zinc/07/19/08/563071908.db2.gz FDXDGPUMMWYVHH-UHFFFAOYSA-N 0 0 430.531 5.772 1 0 IKAFRN CC1(C)OC[C@@H](Cn2c3ccccc3c(-c3ccncc3)c(-c3ccc(F)cc3)c2=O)O1 ZINC000029039966 563071957 /nfs/dbraw/zinc/07/19/57/563071957.db2.gz LWMIJBYZCKJPKP-HXUWFJFHSA-N 0 0 430.479 5.021 1 0 IKAFRN CC1(C)OC[C@H](Cn2c3ccccc3c(-c3ccncc3)c(-c3ccc(F)cc3)c2=O)O1 ZINC000029039968 563071990 /nfs/dbraw/zinc/07/19/90/563071990.db2.gz LWMIJBYZCKJPKP-FQEVSTJZSA-N 0 0 430.479 5.021 1 0 IKAFRN O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc3ccsc32)c(F)c1 ZINC000029042716 563072257 /nfs/dbraw/zinc/07/22/57/563072257.db2.gz DNBVMOXDARBOEE-UHFFFAOYSA-N 0 0 437.521 5.283 1 0 IKAFRN O=S(=O)(c1ccccc1)c1ccc(-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1 ZINC000029045228 563072487 /nfs/dbraw/zinc/07/24/87/563072487.db2.gz MDIYMYHJCBBMIG-UHFFFAOYSA-N 0 0 444.541 5.330 1 0 IKAFRN Cc1ccc([C@H]2COc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3N2CC(F)(F)F)cc1 ZINC000029045788 563072539 /nfs/dbraw/zinc/07/25/39/563072539.db2.gz HQNOVZYEKYYMRF-QGZVFWFLSA-N 0 0 442.359 5.358 1 0 IKAFRN C[C@@H](Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1ccc(-n2ccccc2=O)cc1 ZINC000029046803 563072605 /nfs/dbraw/zinc/07/26/05/563072605.db2.gz FUTBNPRVTUARFL-QGZVFWFLSA-N 0 0 444.922 5.311 1 0 IKAFRN Cc1cccc([C@H]2COc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3N2CC(F)(F)F)c1 ZINC000029045982 563072614 /nfs/dbraw/zinc/07/26/14/563072614.db2.gz OSDVUWDMBUJPMG-QGZVFWFLSA-N 0 0 442.359 5.358 1 0 IKAFRN COc1ccc(Cn2ccc(OCCCn3c4ccccc4c4ccccc43)cc2=O)cc1 ZINC000029048012 563072735 /nfs/dbraw/zinc/07/27/35/563072735.db2.gz KQBWZCYCTLKATL-UHFFFAOYSA-N 0 0 438.527 5.482 1 0 IKAFRN O=C(c1cncc(COc2c(Cl)cccc2Cl)c1)N1CCCC[C@H]1c1cccnc1 ZINC000029049478 563072936 /nfs/dbraw/zinc/07/29/36/563072936.db2.gz DCDGQBAJMIITEP-NRFANRHFSA-N 0 0 442.346 5.730 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N1CCc2ccccc2C1 ZINC000029054676 563073264 /nfs/dbraw/zinc/07/32/64/563073264.db2.gz UJAQFXNVJNHNFX-SANMLTNESA-N 0 0 426.604 6.318 1 0 IKAFRN O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)(c1ccc(F)cc1)O2)N1CCCCC1 ZINC000029054731 563073285 /nfs/dbraw/zinc/07/32/85/563073285.db2.gz SOMVVAYJNDYGDM-UHFFFAOYSA-N 0 0 439.433 5.403 1 0 IKAFRN CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc5ccccc5c4)c3)c2C1 ZINC000029054933 563073360 /nfs/dbraw/zinc/07/33/60/563073360.db2.gz WQXKZVSYGFRVPX-HXUWFJFHSA-N 0 0 428.536 5.476 1 0 IKAFRN C/C1=C\CC/C(C)=C/[C@H](OC(=O)NCc2ccccc2)C[C@@](C)(O)/C=C/[C@H](C(C)C)CC1 ZINC000029057681 563073498 /nfs/dbraw/zinc/07/34/98/563073498.db2.gz GMIZPNVASYWNGR-ZEZGLJSWSA-N 0 0 439.640 6.718 1 0 IKAFRN CCCn1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)n1 ZINC000029124665 563074186 /nfs/dbraw/zinc/07/41/86/563074186.db2.gz XZXMSUJTNZCBOD-UHFFFAOYSA-N 0 0 447.757 5.871 1 0 IKAFRN CCCCCCc1ccc(/N=c2/scc(CC(=O)Nc3ccc(CC)cc3)n2C)cc1 ZINC000029124952 563074192 /nfs/dbraw/zinc/07/41/92/563074192.db2.gz BMADJNKVFLVAMO-BYCLXTJYSA-N 0 0 435.637 6.185 1 0 IKAFRN Cn1c(CC(=O)Nc2ccc(Cl)cc2)cs/c1=N\c1ccc(-c2ccccc2)cc1 ZINC000029124723 563074210 /nfs/dbraw/zinc/07/42/10/563074210.db2.gz BNZLKHSGJFBJRI-PNHLSOANSA-N 0 0 433.964 5.821 1 0 IKAFRN CC(C)Oc1ccc(/N=c2/scc(CC(=O)Nc3ccc(C(F)F)cc3)n2C)cc1 ZINC000029125146 563074242 /nfs/dbraw/zinc/07/42/42/563074242.db2.gz XIHKJNLUXILITA-XTCLZLMSSA-N 0 0 431.508 5.225 1 0 IKAFRN Cn1c(CC(=O)Nc2ccc(Cl)cc2)cs/c1=N\c1ccc(OC(F)(F)F)cc1 ZINC000029125226 563074276 /nfs/dbraw/zinc/07/42/76/563074276.db2.gz ADLVNFDHHKENIS-BWAHOGKJSA-N 0 0 441.862 5.052 1 0 IKAFRN CO[C@@H]1Cc2c(-c3ccccc3Cl)cccc2N(c2c(Cl)cccc2Cl)C1=O ZINC000029125811 563074519 /nfs/dbraw/zinc/07/45/19/563074519.db2.gz KBFOJUANCXTRLE-HXUWFJFHSA-N 0 0 432.734 6.550 1 0 IKAFRN O=C(Nc1noc2ccccc21)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000029126145 563074566 /nfs/dbraw/zinc/07/45/66/563074566.db2.gz CNRATIYZPRKKDK-UHFFFAOYSA-N 0 0 429.863 5.306 1 0 IKAFRN CCC(O)(CC)CCS[C@@H](C)C1=CC[C@@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128840 563075204 /nfs/dbraw/zinc/07/52/04/563075204.db2.gz JBIJFMQWUGBEEN-JSUPJVLBSA-N 0 0 448.713 5.944 1 0 IKAFRN CCC(O)(CC)CS[C@@H](C)C1=CC[C@@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128897 563075325 /nfs/dbraw/zinc/07/53/25/563075325.db2.gz QUDKCXJSFPLCSM-YTOWPDFLSA-N 0 0 434.686 5.554 1 0 IKAFRN O=C1O[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000029129571 563075420 /nfs/dbraw/zinc/07/54/20/563075420.db2.gz ZCKYRVBQTPFVQC-YTFSRNRJSA-N 0 0 425.431 5.251 1 0 IKAFRN N=c1sc(-c2cccc(C(F)(F)F)c2F)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000029415797 563080035 /nfs/dbraw/zinc/08/00/35/563080035.db2.gz WXMNSYWWPIBUEE-UHFFFAOYSA-N 0 0 442.652 6.198 1 0 IKAFRN CC(C)c1ccc(Nc2cc(C(F)(F)F)nc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000029131671 563075700 /nfs/dbraw/zinc/07/57/00/563075700.db2.gz IWEYVCZMPVRVEQ-UHFFFAOYSA-N 0 0 435.471 5.433 1 0 IKAFRN O=C1N[C@H](Cc2ccccc2)C(=O)N(Cc2ccccc2-c2ccccc2)c2ccccc21 ZINC000029133159 563075908 /nfs/dbraw/zinc/07/59/08/563075908.db2.gz RONAYXZXQCHUAB-AREMUKBSSA-N 0 0 432.523 5.242 1 0 IKAFRN CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)O[C@H](c1ccccc1)C=C4)O[C@@H](C)CC3=O ZINC000029133258 563075928 /nfs/dbraw/zinc/07/59/28/563075928.db2.gz NZPJILIUHUBLLF-UGSOOPFHSA-N 0 0 436.891 5.900 1 0 IKAFRN CCCc1cc(=O)oc2c1c1c(c3c2C(=O)C[C@@H](c2ccc(C)cc2)O3)C=CC(C)(C)O1 ZINC000029133708 563076014 /nfs/dbraw/zinc/07/60/14/563076014.db2.gz XVXQZNOYHCSDNW-FQEVSTJZSA-N 0 0 430.500 5.945 1 0 IKAFRN COc1nc(-c2ccc(CP(=O)(OC)OC)cc2)nc2ccc(Br)cc21 ZINC000029226051 563076914 /nfs/dbraw/zinc/07/69/14/563076914.db2.gz OLBDDNBEEWUQAA-UHFFFAOYSA-N 0 0 437.230 5.054 1 0 IKAFRN O=C(NCC(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029342814 563078557 /nfs/dbraw/zinc/07/85/57/563078557.db2.gz XEYATICKRZOTNK-UHFFFAOYSA-N 0 0 437.383 6.286 1 0 IKAFRN CN(C(=O)C(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029342078 563078575 /nfs/dbraw/zinc/07/85/75/563078575.db2.gz RMPOHZLJIMPVGV-UHFFFAOYSA-N 0 0 437.383 6.519 1 0 IKAFRN CCCCC1=NC2(CCCC2)CC(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000029393821 563079062 /nfs/dbraw/zinc/07/90/62/563079062.db2.gz QQXUWSWJFJDVQE-UHFFFAOYSA-N 0 0 442.567 5.168 1 0 IKAFRN COc1ccc2c(c1)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)CC2 ZINC000029417338 563080092 /nfs/dbraw/zinc/08/00/92/563080092.db2.gz HWGLRHBPWWLEBX-OFSOJUDTSA-N 0 0 447.578 6.415 1 0 IKAFRN COc1ccccc1C(c1ccc(C(C)C)cc(=O)c1O)c1ccc(C(C)C)cc(=O)c1O ZINC000029470163 563080606 /nfs/dbraw/zinc/08/06/06/563080606.db2.gz SDXJIAZNNJDHFI-UHFFFAOYSA-N 0 0 446.543 5.254 1 0 IKAFRN CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCC(c1ccccc1)c1ccccc1 ZINC000029475426 563080794 /nfs/dbraw/zinc/08/07/94/563080794.db2.gz RGSBYQBRJIRCMA-XMMPIXPASA-N 0 0 449.591 5.138 1 0 IKAFRN O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2-c2ccc(Cl)c(Cl)c2)O1 ZINC000029480395 563081063 /nfs/dbraw/zinc/08/10/63/563081063.db2.gz VRXHJOZTXMVLIU-XCUNLHGCSA-N 0 0 432.130 6.047 1 0 IKAFRN COc1ccc(C(=C/C=C/C(=O)NCCCCc2cccnc2)c2ccc(OC)cc2)cc1 ZINC000029481322 563081121 /nfs/dbraw/zinc/08/11/21/563081121.db2.gz DHEQLSFAAHXFEP-BJMVGYQFSA-N 0 0 442.559 5.226 1 0 IKAFRN O=c1c2cc(F)ccc2nc(/C=C/c2cccc(N3CCCC3)n2)n1-c1ccccc1Cl ZINC000029481946 563081152 /nfs/dbraw/zinc/08/11/52/563081152.db2.gz MWMQZWHTDDSCOT-ACCUITESSA-N 0 0 446.913 5.344 1 0 IKAFRN Ic1cc(Oc2ccccc2)ccc1OCCO[C@H]1CCCCO1 ZINC000029485024 563081299 /nfs/dbraw/zinc/08/12/99/563081299.db2.gz SBGDKINRRNFIMN-IBGZPJMESA-N 0 0 440.277 5.006 1 0 IKAFRN Fc1ccc(-n2c3ccc(F)cc3c3c2CCN(CCc2ccc4ccccc4n2)C3)cc1 ZINC000029488459 563081454 /nfs/dbraw/zinc/08/14/54/563081454.db2.gz LQISAFMWOCODSX-UHFFFAOYSA-N 0 0 439.509 6.058 1 0 IKAFRN C[C@H](CCCc1cccnc1)NC(=O)/C=C/C=C(c1cccc(F)c1)c1cccc(F)c1 ZINC000029544512 563081687 /nfs/dbraw/zinc/08/16/87/563081687.db2.gz ACLSUALHMZIIAQ-NINHTKBVSA-N 0 0 432.514 5.875 1 0 IKAFRN CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 ZINC000029554035 563082022 /nfs/dbraw/zinc/08/20/22/563082022.db2.gz WBTMIQSFAXDMPJ-UHFFFAOYSA-N 0 0 435.593 5.699 1 0 IKAFRN O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)C(F)F)c(Cl)c1 ZINC000031500121 563083392 /nfs/dbraw/zinc/08/33/92/563083392.db2.gz BHVZCLPCHPGLTA-UHFFFAOYSA-N 0 0 442.768 5.530 1 0 IKAFRN Cc1c(C(=O)NN2CCCCC2)nn2c1-c1ccc(Cl)cc1-c1cc(Cl)ccc1-2 ZINC000032296485 563084168 /nfs/dbraw/zinc/08/41/68/563084168.db2.gz BXWUBVYVCIRKCU-UHFFFAOYSA-N 0 0 427.335 5.266 1 0 IKAFRN O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1c(Cl)c(Cl)ccc1n2O ZINC000032292906 563084171 /nfs/dbraw/zinc/08/41/71/563084171.db2.gz ISRGQKQOTYGTTJ-SNVBAGLBSA-N 0 0 442.220 5.477 1 0 IKAFRN CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)OCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000033363671 563084420 /nfs/dbraw/zinc/08/44/20/563084420.db2.gz DSCPSYDRRKGPJO-OYKXOOMRSA-N 0 0 441.615 7.928 1 0 IKAFRN S=C1N=C(c2ccccc2)N[C@](Cc2ccccc2)(c2ccccc2)N1c1ccccc1 ZINC000033488838 563084524 /nfs/dbraw/zinc/08/45/24/563084524.db2.gz PTQPGUKBBSDHDW-NDEPHWFRSA-N 0 0 433.580 5.924 1 0 IKAFRN COc1ccc2c(c1OC)[C@@H](Cc1ccccc1)N1CCc3cc(OC)c(OC)cc3[C@@H]1C2 ZINC000033903249 563084981 /nfs/dbraw/zinc/08/49/81/563084981.db2.gz SXTAUSJLLADWLQ-XZOQPEGZSA-N 0 0 445.559 5.160 1 0 IKAFRN CN1CC[C@@](O)(c2ccc(Cl)cc2Cl)[C@H](C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000034047238 563085347 /nfs/dbraw/zinc/08/53/47/563085347.db2.gz FEIRROBBFMUCJM-HNAYVOBHSA-N 0 0 433.162 5.322 1 0 IKAFRN COc1cc(C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)cc(OC)c1O ZINC000034106713 563085537 /nfs/dbraw/zinc/08/55/37/563085537.db2.gz SPRVBDBKXXKENP-UHFFFAOYSA-N 0 0 427.283 5.850 1 0 IKAFRN CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(-c3ccccc3)n2)cc1 ZINC000034233157 563085892 /nfs/dbraw/zinc/08/58/92/563085892.db2.gz FNBGPMNXEGPANM-UHFFFAOYSA-N 0 0 430.537 5.418 1 0 IKAFRN CCc1c(C(=O)NN2CCCCC2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1 ZINC000034241790 563085932 /nfs/dbraw/zinc/08/59/32/563085932.db2.gz WIUAZKNCWYGPFK-UHFFFAOYSA-N 0 0 443.378 5.539 1 0 in-vitro IKAFRN CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(OC(F)(F)Cl)cc1 ZINC000034238679 563085935 /nfs/dbraw/zinc/08/59/35/563085935.db2.gz DEARRTAGQMMWKC-UHFFFAOYSA-N 0 0 432.894 7.141 1 0 IKAFRN FC(F)(F)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc32)cn1 ZINC000034271275 563085984 /nfs/dbraw/zinc/08/59/84/563085984.db2.gz LUXPOZSCJAJCFN-UHFFFAOYSA-N 0 0 435.331 5.868 1 0 IKAFRN O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cccnc1Cl ZINC000034298251 563086050 /nfs/dbraw/zinc/08/60/50/563086050.db2.gz BHNBIXSLHUOVEI-UHFFFAOYSA-N 0 0 434.727 5.211 1 0 IKAFRN Cc1cc(=O)c(-c2nnc(Nc3cccc(C(F)(F)F)c3)o2)nn1-c1ccc(Cl)cc1 ZINC000034585681 563086479 /nfs/dbraw/zinc/08/64/79/563086479.db2.gz MTUQOSFUQKCPNU-UHFFFAOYSA-N 0 0 447.804 5.007 1 0 IKAFRN COc1ccc2c(oc(-c3cccs3)c2C(=O)c2cc(OC)c(OC)c(OC)c2)c1O ZINC000034661933 563086868 /nfs/dbraw/zinc/08/68/68/563086868.db2.gz ZQZKMLLHXYVINV-UHFFFAOYSA-N 0 0 440.473 5.132 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1CCCc2ccccc21)C(F)(F)F ZINC000034802062 563087622 /nfs/dbraw/zinc/08/76/22/563087622.db2.gz XJFMATJFYVPYBR-JOCHJYFZSA-N 0 0 425.466 5.248 1 0 IKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(Cl)c4)cn3)[C@H]12 ZINC000034802890 563087689 /nfs/dbraw/zinc/08/76/89/563087689.db2.gz QPIJOYAYKONXJD-ZYLBBPIUSA-N 0 0 437.967 5.390 1 0 IKAFRN C[C@H]1OC[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)[C@H]12 ZINC000034802832 563087696 /nfs/dbraw/zinc/08/76/96/563087696.db2.gz INWXTBNAHKMNCL-HMYSHNHQSA-N 0 0 441.537 7.258 1 0 IKAFRN c1nn2c(ncc(-c3ccc(Oc4ccccc4)cc3)c2C2CCCCC2)c1-c1nn[nH]n1 ZINC000034819979 563088071 /nfs/dbraw/zinc/08/80/71/563088071.db2.gz RLHBFNVSHFWJJK-UHFFFAOYSA-N 0 0 437.507 5.416 1 0 IKAFRN O=C([O-])[C@@H]1CCC[N@@H+]1CCOc1ccc(-c2ccccc2)cc1Sc1cccc(F)c1 ZINC000034849726 563088232 /nfs/dbraw/zinc/08/82/32/563088232.db2.gz YHOBMZUBDXFLGN-QFIPXVFZSA-N 0 0 437.536 5.572 1 0 IKAFRN Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4C(F)(F)F)ccc3Cl)nc2c1 ZINC000034892291 563088484 /nfs/dbraw/zinc/08/84/84/563088484.db2.gz AUJMYBVVKPOWGD-UHFFFAOYSA-N 0 0 430.813 6.728 1 0 IKAFRN COC(C)(C)CCn1nc(Nc2c(C)cc(C)cc2C)c2cnc(Nc3ccccc3)nc21 ZINC000034946226 563088523 /nfs/dbraw/zinc/08/85/23/563088523.db2.gz VXBAJSBOXKDNSO-UHFFFAOYSA-N 0 0 444.583 6.054 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CSC)c1ccccc1 ZINC000034983586 563088613 /nfs/dbraw/zinc/08/86/13/563088613.db2.gz HQGZCOAAOJFXDQ-QHCPKHFHSA-N 0 0 426.585 6.646 1 0 IKAFRN CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1[S@](=O)CC)c1ccccc1 ZINC000034984664 563088686 /nfs/dbraw/zinc/08/86/86/563088686.db2.gz XVTICRLZOUARHF-ICACTRECSA-N 0 0 442.584 5.910 1 0 IKAFRN CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1N ZINC000035000932 563088687 /nfs/dbraw/zinc/08/86/87/563088687.db2.gz XICMXLLBEAWGAU-UHFFFAOYSA-N 0 0 432.545 5.597 1 0 IKAFRN Cc1nnc(SCC(=O)Nc2ccc(C)cc2Cl)n1-c1ccc(C(F)(F)F)cc1 ZINC000035002796 563088782 /nfs/dbraw/zinc/08/87/82/563088782.db2.gz PEUGOVWCSJKREO-UHFFFAOYSA-N 0 0 440.878 5.287 1 0 IKAFRN Cc1c(/C=C/N2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000035050300 563089084 /nfs/dbraw/zinc/08/90/84/563089084.db2.gz SPWPIJMSCDUAAC-SDNWHVSQSA-N 0 0 446.809 7.265 1 0 IKAFRN C[C@H](NC(=O)C(C)(C)Oc1cccc(F)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000035079277 563089267 /nfs/dbraw/zinc/08/92/67/563089267.db2.gz PAHGBCUEXOTPIT-MHECFPHRSA-N 0 0 439.958 6.168 1 0 IKAFRN O=C1CCS[C@H](c2ccc(Cl)cc2)N1CCNc1ccnc2cc(Cl)ccc21 ZINC000035091165 563089426 /nfs/dbraw/zinc/08/94/26/563089426.db2.gz MHEKJKGYMYWSAJ-OAQYLSRUSA-N 0 0 432.376 5.618 1 0 IKAFRN CCCC(=O)N(CCC[C@H](C)Nc1cc(OC)cc2cccnc21)Cc1ccc(F)cc1 ZINC000035097384 563089429 /nfs/dbraw/zinc/08/94/29/563089429.db2.gz FGSCJMUNMWRDDH-IBGZPJMESA-N 0 0 437.559 5.792 1 0 IKAFRN O=C1CCS[C@H](c2ccc(Cl)cc2)N1CCCNc1ccnc2cc(Cl)ccc21 ZINC000035091131 563089464 /nfs/dbraw/zinc/08/94/64/563089464.db2.gz NBHUVDNHYBJEMO-JOCHJYFZSA-N 0 0 446.403 6.008 1 0 IKAFRN O=C(CCCCCCc1ccccc1)c1ncc(-c2ccccc2C(=O)C(F)(F)F)o1 ZINC000035259948 563089737 /nfs/dbraw/zinc/08/97/37/563089737.db2.gz YZUZJEBJPIUSPA-UHFFFAOYSA-N 0 0 429.438 6.463 1 0 IKAFRN CC[C@@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)CC[C@H]1C ZINC000035801375 563089928 /nfs/dbraw/zinc/08/99/28/563089928.db2.gz YDGOHTBOOYAVOP-AVTUFLGGSA-N 0 0 439.596 6.328 1 0 IKAFRN C[C@H](Nc1nccc(N(C(=O)Nc2ccccc2Cl)c2ccccc2)n1)C(C)(C)O ZINC000035849140 563090116 /nfs/dbraw/zinc/09/01/16/563090116.db2.gz XOXUDPAQRNBSPE-HNNXBMFYSA-N 0 0 425.920 5.072 1 0 IKAFRN COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3ccc(F)c(Cl)c3)c1NC2 ZINC000035861417 563090159 /nfs/dbraw/zinc/09/01/59/563090159.db2.gz PLOYVPWSBOMPMB-UHFFFAOYSA-N 0 0 432.908 5.415 1 0 IKAFRN CC1(C)CN(c2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000035849784 563090202 /nfs/dbraw/zinc/09/02/02/563090202.db2.gz ZAPYCZXUTQRITJ-UHFFFAOYSA-N 0 0 442.441 6.054 1 0 IKAFRN Cc1sc(C(=O)CCc2cc(Cl)c(OCCO)c(Cl)c2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000035902214 563090336 /nfs/dbraw/zinc/09/03/36/563090336.db2.gz MSWKBOBVWWEQLZ-AUUYWEPGSA-N 0 0 439.404 5.846 1 0 IKAFRN C[C@@H]1CCN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000035952091 563090553 /nfs/dbraw/zinc/09/05/53/563090553.db2.gz LOFVUPFIGBAWCL-MRXNPFEDSA-N 0 0 441.453 6.875 1 0 IKAFRN CCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1 ZINC000035997901 563090715 /nfs/dbraw/zinc/09/07/15/563090715.db2.gz HPSRCEODDNJXQV-UHFFFAOYSA-N 0 0 431.967 6.680 1 0 IKAFRN CC[C@H](CNC(=O)c1ccc(-c2ccnc(NC)n2)s1)c1ccc(Cl)cc1Cl ZINC000036144119 563091269 /nfs/dbraw/zinc/09/12/69/563091269.db2.gz DJJRJUQWSOKPLQ-GFCCVEGCSA-N 0 0 435.380 5.477 1 0 IKAFRN O=C([O-])[C@@H]1CCC[N@@H+]1CCOc1cc(-c2ccccc2)ccc1Sc1cccc(F)c1 ZINC000036143370 563091318 /nfs/dbraw/zinc/09/13/18/563091318.db2.gz MIQJYWAKDTUTFQ-QFIPXVFZSA-N 0 0 437.536 5.572 1 0 IKAFRN O=C(OCc1ccccc1)N1CCC[C@@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036160997 563091463 /nfs/dbraw/zinc/09/14/63/563091463.db2.gz UYVDUABRTLJGMQ-RUZDIDTESA-N 0 0 441.506 6.357 1 0 IKAFRN O=C([O-])C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)[NH2+]1 ZINC000036178474 563091547 /nfs/dbraw/zinc/09/15/47/563091547.db2.gz LTSLZRLZTPLAGI-XZOQPEGZSA-N 0 0 431.536 5.719 1 0 IKAFRN O=C([O-])C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)cc4F)n3)cc2)[NH2+]1 ZINC000036178498 563091686 /nfs/dbraw/zinc/09/16/86/563091686.db2.gz NFEFCBPHVVPEHI-SIKLNZKXSA-N 0 0 435.499 5.468 1 0 IKAFRN O=C([O-])[C@H]1C[NH2+][C@@H](c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 ZINC000036178516 563091689 /nfs/dbraw/zinc/09/16/89/563091689.db2.gz DHVYHNBDKXSJGJ-OXQOHEQNSA-N 0 0 447.478 5.748 1 0 IKAFRN O=C([O-])[C@H]1C[NH2+][C@H](c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 ZINC000036178513 563091696 /nfs/dbraw/zinc/09/16/96/563091696.db2.gz DHVYHNBDKXSJGJ-UZLBHIALSA-N 0 0 447.478 5.748 1 0 IKAFRN C[C@@H]1CN(c2ncccc2C(F)(F)F)[C@H](C)CN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000036322341 563092732 /nfs/dbraw/zinc/09/27/32/563092732.db2.gz QJNOWROIDIKPST-CHWSQXEVSA-N 0 0 446.395 5.250 1 0 IKAFRN COc1cc(Nc2ncc3ccn(-c4ccc(C(F)(F)F)cc4)c3n2)cc(OC)c1OC ZINC000036348663 563093013 /nfs/dbraw/zinc/09/30/13/563093013.db2.gz NZKQNSWUTKIUJH-UHFFFAOYSA-N 0 0 444.413 5.209 1 0 IKAFRN C=C/C(=C\CC/C(C)=C/CC/C=C(\C)CCC[C@H](C)CC[C@@H]1O[C@H]1C)CCC=C(C)C ZINC000036351377 563093318 /nfs/dbraw/zinc/09/33/18/563093318.db2.gz SQNGRFWURHATRC-ROGLNQGLSA-N 0 0 426.729 9.672 1 0 IKAFRN O=C(Cc1nnc(-c2cc3ccccc3[nH]2)s1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000036379026 563093552 /nfs/dbraw/zinc/09/35/52/563093552.db2.gz INUWYSAHVWXHMV-UHFFFAOYSA-N 0 0 436.846 5.540 1 0 IKAFRN FC(F)(F)c1ccc(-c2nc(-c3ccccc3)oc2Nc2ccc3ccccc3c2)cc1 ZINC000036381630 563093859 /nfs/dbraw/zinc/09/38/59/563093859.db2.gz HTHKIIPWSBNOAJ-UHFFFAOYSA-N 0 0 430.429 7.924 1 0 IKAFRN CC[C@H](C)Sc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1OC ZINC000036382327 563093941 /nfs/dbraw/zinc/09/39/41/563093941.db2.gz MIEHVIMITMKUCV-IBGZPJMESA-N 0 0 431.605 6.821 3 0 IKAFRN CCCCCCSc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1 ZINC000036382313 563093949 /nfs/dbraw/zinc/09/39/49/563093949.db2.gz DKQPQXKGUFHRSH-UHFFFAOYSA-N 0 0 429.633 7.594 3 0 IKAFRN O=C1CC[C@@H](O)CCN1CC[C@H](Sc1ccc(Br)cc1)c1ccccc1 ZINC000036382955 563094141 /nfs/dbraw/zinc/09/41/41/563094141.db2.gz XGTUMJHGLGVSEV-QUCCMNQESA-N 0 0 434.399 5.046 3 0 IKAFRN CCCCNC(=O)[C@@](CC)(ONc1ccccc1C(F)(F)F)c1cccc2ccccc21 ZINC000036387712 563094634 /nfs/dbraw/zinc/09/46/34/563094634.db2.gz ANZIDYXHGNZNNI-DEOSSOPVSA-N 0 0 444.497 6.424 3 0 IKAFRN C[C@]12CCC=C[C@H]1[C@H](c1ccc(F)c(/C=C/c3ccccc3)c1)N(Cc1ccccc1)C2=O ZINC000036387916 563094665 /nfs/dbraw/zinc/09/46/65/563094665.db2.gz KAHGIBROZIDIFE-JKVPDQICSA-N 0 0 437.558 7.052 1 0 IKAFRN C[C@]12C[C@@]3(CC1=O)CC[C@@H]1[C@](C)(C(=O)Nc4ccc(Cl)cc4)CCC[C@@]1(C)[C@H]3CC2 ZINC000036387898 563094721 /nfs/dbraw/zinc/09/47/21/563094721.db2.gz RXOFZYKGYHUSJG-XWEQGAHKSA-N 0 0 428.016 6.651 3 0 IKAFRN CC(=O)c1ccc(-c2cccc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c2)cc1 ZINC000036387976 563094740 /nfs/dbraw/zinc/09/47/40/563094740.db2.gz ZDOITGLQBHPYRW-QVKOCQLISA-N 0 0 435.567 6.612 1 0 IKAFRN COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036388264 563094792 /nfs/dbraw/zinc/09/47/92/563094792.db2.gz IYQXWEQTZIWLBE-GGQNTOLOSA-N 0 0 441.546 6.413 1 0 IKAFRN COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCCC1 ZINC000036388447 563094798 /nfs/dbraw/zinc/09/47/98/563094798.db2.gz OUAAIEUOLUURNS-GBXCKJPGSA-N 0 0 448.538 5.262 3 0 IKAFRN Cc1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036388237 563094808 /nfs/dbraw/zinc/09/48/08/563094808.db2.gz YSRZWGRSLGAGHJ-BUAQGSAMSA-N 0 0 425.547 6.857 1 0 IKAFRN COc1cccc(-c2ncc3ccccc3c2COC(=O)c2ccc(Br)cc2)c1 ZINC000036388740 563094852 /nfs/dbraw/zinc/09/48/52/563094852.db2.gz AVELJPQWCLPQOM-UHFFFAOYSA-N 0 0 448.316 6.030 3 0 IKAFRN CC(C)=CC[C@H](OC(C)=O)/C(C)=C/[C@H](O)C/C(C)=C/COc1ccc2ccc(=O)oc2c1 ZINC000036403197 563095121 /nfs/dbraw/zinc/09/51/21/563095121.db2.gz GPZNNGDJDDVSLA-YMIKOCKZSA-N 0 0 440.536 5.103 1 0 IKAFRN c1[nH]c2ccccc2c1[C@H]1CCCC(c2c[nH]c3ccccc32)(c2c[nH]c3ccccc32)C1 ZINC000036410143 563095123 /nfs/dbraw/zinc/09/51/23/563095123.db2.gz DQIIPAPLAOUTKD-FQEVSTJZSA-N 0 0 429.567 7.774 1 0 IKAFRN CC(=O)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000036403417 563095142 /nfs/dbraw/zinc/09/51/42/563095142.db2.gz BSALBDFYJLSIOZ-WSDJFHKWSA-N 0 0 444.700 6.010 1 0 IKAFRN Clc1ccc(COC[C@H](Cn2cncn2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000036444735 563095278 /nfs/dbraw/zinc/09/52/78/563095278.db2.gz JSRPZTUCLKXPJV-ZDUSSCGKSA-N 0 0 431.150 5.892 1 0 IKAFRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@H]2C1 ZINC000036519567 563095638 /nfs/dbraw/zinc/09/56/38/563095638.db2.gz JYNBNJRQZZSLPN-MBECZRBTSA-N 0 0 442.728 7.140 1 0 IKAFRN N=c1c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1[C@H]2c1ccc2c(c1)OCO2 ZINC000038142017 563096028 /nfs/dbraw/zinc/09/60/28/563096028.db2.gz DIFFHAUFGJSDKP-XMMPIXPASA-N 0 0 445.478 5.520 1 0 IKAFRN CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)[C@H](CO)c1ccccc1 ZINC000038149612 563096499 /nfs/dbraw/zinc/09/64/99/563096499.db2.gz QTIICHXFYACDHK-MRXNPFEDSA-N 0 0 441.799 5.212 1 0 IKAFRN COc1cc2c(cc1OC)Sc1ncnc(Nc3cccc(Br)c3)c1NC2 ZINC000038149516 563096538 /nfs/dbraw/zinc/09/65/38/563096538.db2.gz ZWXBOUXHSQCYIY-UHFFFAOYSA-N 0 0 445.342 5.077 1 0 IKAFRN Nc1cc(-c2ncccc2C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000038149579 563096550 /nfs/dbraw/zinc/09/65/50/563096550.db2.gz IIDQIRKPHZXDCO-UHFFFAOYSA-N 0 0 425.332 5.621 1 0 IKAFRN COc1cc(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)sc2N)cc(OC)c1OC ZINC000038216659 563097032 /nfs/dbraw/zinc/09/70/32/563097032.db2.gz ZZUSGXQXUQUIAX-UHFFFAOYSA-N 0 0 438.332 5.561 1 0 IKAFRN c1ccc(COC[C@H]2O[C@H]3C[C@H]3[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 ZINC000038249894 563097160 /nfs/dbraw/zinc/09/71/60/563097160.db2.gz KNARNYHTGSHJAX-CRWBFSFISA-N 0 0 430.544 5.161 1 0 IKAFRN FC(F)(F)c1ccc(Nc2ncnc3c2CCN(c2ncccc2C(F)(F)F)C3)cc1 ZINC000038309687 563097432 /nfs/dbraw/zinc/09/74/32/563097432.db2.gz NGWHRUMEZXSPIC-UHFFFAOYSA-N 0 0 439.363 5.216 1 0 IKAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cccc(F)c2[nH]1)C(F)(F)F ZINC000038412510 563097658 /nfs/dbraw/zinc/09/76/58/563097658.db2.gz BCWFWNBNYVPLRF-NRFANRHFSA-N 0 0 427.413 5.659 1 0 IKAFRN COc1ccc(-c2cc3c(c(=O)o2)C[C@H]2[C@@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@@]42C)O3)cc1 ZINC000038428822 563097734 /nfs/dbraw/zinc/09/77/34/563097734.db2.gz YKIBSZXLXSOWFC-HXABMTEBSA-N 0 0 436.548 5.431 1 0 IKAFRN CC(C)n1cc(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c2c1ncnc2N ZINC000038429336 563097753 /nfs/dbraw/zinc/09/77/53/563097753.db2.gz BAABCALYOOIAEM-UHFFFAOYSA-N 0 0 448.914 5.123 1 0 IKAFRN CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1N ZINC000038657011 563098150 /nfs/dbraw/zinc/09/81/50/563098150.db2.gz IUVWYQRMCLECAF-UHFFFAOYSA-N 0 0 441.314 6.004 1 0 IKAFRN CC(C)c1[nH]c(=O)c(-c2csc(-c3ccncc3)n2)cc1C(=O)OCCc1ccccc1 ZINC000038657521 563098163 /nfs/dbraw/zinc/09/81/63/563098163.db2.gz NQORLXIULOFSFK-UHFFFAOYSA-N 0 0 445.544 5.083 1 0 IKAFRN CC(C)=CCC[C@@H](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=O ZINC000038800674 563098325 /nfs/dbraw/zinc/09/83/25/563098325.db2.gz TVMGQCAMNPECHD-KUABDJQUSA-N 0 0 440.712 7.658 1 0 IKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC(=NO)C4=CC(=O)C(=O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000038839434 563098404 /nfs/dbraw/zinc/09/84/04/563098404.db2.gz AGHDZMKTPDANEA-YUIWXPCLSA-N 0 0 427.629 6.699 1 0 IKAFRN CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000038907890 563098546 /nfs/dbraw/zinc/09/85/46/563098546.db2.gz LCZGVWKWRGLAFX-CHMVMOPFSA-N 0 0 440.712 7.350 1 0 IKAFRN CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c1N ZINC000038940823 563098637 /nfs/dbraw/zinc/09/86/37/563098637.db2.gz VRYKHTZYQIFBKP-UHFFFAOYSA-N 0 0 439.342 7.280 1 0 IKAFRN CC(=O)O[C@@H]1C[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3C[C@@H](O)[C@]2(C)c2occc21 ZINC000039163819 563098812 /nfs/dbraw/zinc/09/88/12/563098812.db2.gz LSYWMMZYLYAJTO-IDKZBBNMSA-N 0 0 428.613 6.175 1 0 IKAFRN O=C(Cc1ccc(Cl)cc1)S[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000039233089 563098902 /nfs/dbraw/zinc/09/89/02/563098902.db2.gz QDHCCHDFFBBHHY-GOSISDBHSA-N 0 0 425.768 6.087 1 0 IKAFRN COC(=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242702 563098989 /nfs/dbraw/zinc/09/89/89/563098989.db2.gz UMIJYUKMKLJIOJ-HXUWFJFHSA-N 0 0 437.706 6.732 1 0 IKAFRN COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000039242745 563098994 /nfs/dbraw/zinc/09/89/94/563098994.db2.gz VBVJIZMLHIEGFF-FQEVSTJZSA-N 0 0 436.813 6.444 1 0 IKAFRN COC(=O)[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242705 563099007 /nfs/dbraw/zinc/09/90/07/563099007.db2.gz WHVBLFZVOKBKPK-FQEVSTJZSA-N 0 0 437.706 6.732 1 0 IKAFRN COC(=O)[C@@H](Oc1ccc(NC(C)=O)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242776 563099096 /nfs/dbraw/zinc/09/90/96/563099096.db2.gz VUBSAJSIKQWCMN-QFIPXVFZSA-N 0 0 425.868 5.384 1 0 IKAFRN O=C(Nc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1)c1ccccc1Cl ZINC000039280064 563099103 /nfs/dbraw/zinc/09/91/03/563099103.db2.gz ZYURNHOEBWWJHI-UHFFFAOYSA-N 0 0 449.873 5.714 1 0 in-vitro IKAFRN Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1ccccc1F ZINC000040380377 563099585 /nfs/dbraw/zinc/09/95/85/563099585.db2.gz JGYBUNDXFQJVGO-UHFFFAOYSA-N 0 0 431.511 5.439 1 0 IKAFRN CCn1c2ccccc2c2cc(NC(=O)CCn3cc(-c4ccccc4F)nn3)ccc21 ZINC000040380656 563099752 /nfs/dbraw/zinc/09/97/52/563099752.db2.gz YGLUVTVRMKRTQV-UHFFFAOYSA-N 0 0 427.483 5.241 1 0 IKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000040391140 563099784 /nfs/dbraw/zinc/09/97/84/563099784.db2.gz MAQIVNQPDUSFOX-DOFZRALJSA-N 0 0 437.712 8.217 1 0 IKAFRN Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C(=O)NC(C)C)c2)c1 ZINC000040391957 563099853 /nfs/dbraw/zinc/09/98/53/563099853.db2.gz QGOMJEFGXRFUAA-UHFFFAOYSA-N 0 0 430.935 6.794 1 0 IKAFRN C[C@H](Nc1nc(-c2cnccn2)nc(Cl)c1-c1c(F)cc(F)cc1F)C(F)(F)F ZINC000040392678 563099919 /nfs/dbraw/zinc/09/99/19/563099919.db2.gz USZDFOPAUAEWBC-ZETCQYMHSA-N 0 0 433.743 5.034 1 0 IKAFRN CCN(Cc1ccccc1)C(=O)C(=O)c1c2cc(Cl)ccc2[nH]c1-c1ccc(F)cc1 ZINC000040392474 563099962 /nfs/dbraw/zinc/09/99/62/563099962.db2.gz KDUNDZNBEDXXSV-UHFFFAOYSA-N 0 0 434.898 5.859 1 0 IKAFRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5C(=O)C[C@]43C)[C@H]2C1 ZINC000040393091 563100085 /nfs/dbraw/zinc/10/00/85/563100085.db2.gz JOZYDRGQGVTMSG-QJVZLQERSA-N 0 0 440.712 7.348 1 0 IKAFRN Cc1c(-c2nnc(C(C)(C)C)s2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1 ZINC000040393695 563100279 /nfs/dbraw/zinc/10/02/79/563100279.db2.gz SWYYIFXRWFOVHX-UHFFFAOYSA-N 0 0 443.403 6.971 1 0 IKAFRN COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(C)c(Cl)c4)cc32)cc1 ZINC000040394344 563100361 /nfs/dbraw/zinc/10/03/61/563100361.db2.gz YFYJIANHHWKYGE-UHFFFAOYSA-N 0 0 433.899 5.988 1 0 IKAFRN Cc1cc(C)c(NC2=Nn3c(nnc3-c3cc(F)c(Cl)cc3Cl)SC2)c(C)c1 ZINC000040394252 563100370 /nfs/dbraw/zinc/10/03/70/563100370.db2.gz IEEQHGUSJMTFBS-UHFFFAOYSA-N 0 0 436.343 5.696 1 0 IKAFRN CC(C)(C)c1ccc(-c2noc(CCCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000040394450 563100441 /nfs/dbraw/zinc/10/04/41/563100441.db2.gz PBJSVEFXCPGKMP-UHFFFAOYSA-N 0 0 431.458 6.014 1 0 IKAFRN COc1ccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3Cl)c3ccccc32)cc1 ZINC000040395009 563100640 /nfs/dbraw/zinc/10/06/40/563100640.db2.gz AKKMSLCHWSKDMF-HHHXNRCGSA-N 0 0 439.942 6.689 1 0 IKAFRN COc1ccc(-c2nn(-c3ccccc3)c3ncc(C(=O)c4cc(C)ccc4O)cc23)cc1 ZINC000040395280 563100703 /nfs/dbraw/zinc/10/07/03/563100703.db2.gz MXJPXWHUCMXUAH-UHFFFAOYSA-N 0 0 435.483 5.341 1 0 IKAFRN COc1ccc2c(c1)[C@H](CCNC(=O)C1CCC1)C[C@H](c1cccc(C(F)(F)F)c1)C2 ZINC000040402766 563100967 /nfs/dbraw/zinc/10/09/67/563100967.db2.gz NOOANLAIFQUGKS-WOJBJXKFSA-N 0 0 431.498 5.834 1 0 IKAFRN COc1ccc2c(c1)[C@@H](CCNC(=O)C1CCC1)C[C@@H](c1cccc(C(F)(F)F)c1)C2 ZINC000040402775 563100980 /nfs/dbraw/zinc/10/09/80/563100980.db2.gz NOOANLAIFQUGKS-PMACEKPBSA-N 0 0 431.498 5.834 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1cc(OC)ccc1OC ZINC000040402930 563101000 /nfs/dbraw/zinc/10/10/00/563101000.db2.gz XQBDIMHUECOUFT-OAQYLSRUSA-N 0 0 446.591 6.389 1 0 IKAFRN O=C(NC1CCCC1)Oc1cc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1 ZINC000040405290 563101229 /nfs/dbraw/zinc/10/12/29/563101229.db2.gz BAMGNBXBYPOENS-UHFFFAOYSA-N 0 0 426.343 7.358 1 0 IKAFRN O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1)N1CCCCC1 ZINC000040405250 563101230 /nfs/dbraw/zinc/10/12/30/563101230.db2.gz QPBXMKXPOLTGHF-UHFFFAOYSA-N 0 0 434.754 6.126 1 0 IKAFRN O=C(Nc1ncc(CCNc2ncnc3ccsc32)s1)Nc1ccccc1Cl ZINC000040407385 563101457 /nfs/dbraw/zinc/10/14/57/563101457.db2.gz KFDNXYGJOPWMGB-UHFFFAOYSA-N 0 0 430.946 5.100 1 0 IKAFRN CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3cc(Cl)cc(Cl)c32)on1 ZINC000040408512 563101514 /nfs/dbraw/zinc/10/15/14/563101514.db2.gz KBJLMGBOQPVKLH-UHFFFAOYSA-N 0 0 435.185 5.304 1 0 IKAFRN CCOC(=O)c1cc(-c2cccc(Oc3cc(C(F)(F)F)nc4ccccc43)c2)on1 ZINC000040409046 563101558 /nfs/dbraw/zinc/10/15/58/563101558.db2.gz YVGLBDJDAADPTL-UHFFFAOYSA-N 0 0 428.366 5.878 1 0 IKAFRN O=C1Nc2ccc(Cl)cc2/C1=C\c1cccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)n1 ZINC000040412840 563101835 /nfs/dbraw/zinc/10/18/35/563101835.db2.gz MKXFEYSBXJIXIO-XOBNHNQQSA-N 0 0 434.282 5.374 1 0 IKAFRN COc1ccc([C@@H]2[C@@H](CCC(=O)Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000040414452 563102091 /nfs/dbraw/zinc/10/20/91/563102091.db2.gz MLBJBWDQYUNMSO-AOYPEHQESA-N 0 0 428.532 5.435 1 0 IKAFRN CC(C)Cc1ccc([C@H](C)c2nnc3sc(-c4ccc(Cl)cc4Cl)nn32)cc1 ZINC000040421865 563102356 /nfs/dbraw/zinc/10/23/56/563102356.db2.gz WYAFRUSXLQYNMU-ZDUSSCGKSA-N 0 0 431.392 6.510 1 0 IKAFRN CCOc1ccc([C@@H](O)c2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1 ZINC000040422240 563102376 /nfs/dbraw/zinc/10/23/76/563102376.db2.gz FVEIZTKTUZVAFD-XMMPIXPASA-N 0 0 437.584 5.045 1 0 IKAFRN CCOc1ccc([C@H](O)c2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1 ZINC000040422242 563102416 /nfs/dbraw/zinc/10/24/16/563102416.db2.gz FVEIZTKTUZVAFD-DEOSSOPVSA-N 0 0 437.584 5.045 1 0 IKAFRN COc1ccc(/C=C2\c3ccccc3N(c3c(Cl)cccc3Cl)C2=O)cc1OC ZINC000040422716 563102462 /nfs/dbraw/zinc/10/24/62/563102462.db2.gz DQYNJFGAKPFHMN-FOWTUZBSSA-N 0 0 426.299 6.230 1 0 IKAFRN Cc1ccccc1[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NC2CCCCCC2)CC1 ZINC000040423650 563102666 /nfs/dbraw/zinc/10/26/66/563102666.db2.gz AMOQRGVXFGDBST-VWLOTQADSA-N 0 0 440.031 5.788 1 0 IKAFRN Cc1ccc(C)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000040423677 563102738 /nfs/dbraw/zinc/10/27/38/563102738.db2.gz RHLZTJUJQAJXKG-DEOSSOPVSA-N 0 0 427.504 5.362 1 0 IKAFRN O=C(CCCC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCc1ccccc1 ZINC000040424014 563102860 /nfs/dbraw/zinc/10/28/60/563102860.db2.gz DYESGWYFUKNBAF-UHFFFAOYSA-N 0 0 433.595 6.550 1 0 IKAFRN O=C(NC1CCCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(F)cc1 ZINC000040424387 563102946 /nfs/dbraw/zinc/10/29/46/563102946.db2.gz USUCNXJZXVXRTC-UHFFFAOYSA-N 0 0 432.326 6.048 1 0 IKAFRN O=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1ccc(C(F)(F)F)c(Cl)c1 ZINC000040425433 563103056 /nfs/dbraw/zinc/10/30/56/563103056.db2.gz WLVORWCZCJGRGP-UHFFFAOYSA-N 0 0 448.203 5.773 1 0 IKAFRN CCC[NH+](CCC)CCCCOc1cc([O-])c2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000040431098 563103613 /nfs/dbraw/zinc/10/36/13/563103613.db2.gz DYTQDTSBNCFGJE-UHFFFAOYSA-N 0 0 425.525 5.152 1 0 IKAFRN COc1ccc(C(=O)c2cc3c(o2)C[C@@H]2CC[C@@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@H]4[C@@]2(C)C3)cc1 ZINC000040492000 563104005 /nfs/dbraw/zinc/10/40/05/563104005.db2.gz HUCWMWUBZIAUCC-ZZYDZBEHSA-N 0 0 448.603 5.838 1 0 IKAFRN O=c1c2ccccc2c(Cc2cccc3ccccc32)nn1-c1ccc(Br)cc1 ZINC000040564976 563104763 /nfs/dbraw/zinc/10/47/63/563104763.db2.gz FRRRHICEXWMDGX-UHFFFAOYSA-N 0 0 441.328 5.892 1 0 IKAFRN COc1cc(/C=C/Cc2cc3scc(-c4ccccc4)c3c(O)c2)cc(OC)c1OC ZINC000040565774 563104862 /nfs/dbraw/zinc/10/48/62/563104862.db2.gz NAVVFPQXDVMBLD-VQHVLOKHSA-N 0 0 432.541 6.556 1 0 IKAFRN CCCc1cccc(CCC)c1N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000040567288 563105072 /nfs/dbraw/zinc/10/50/72/563105072.db2.gz GQWJAHARBGGXRZ-UHFFFAOYSA-N 0 0 445.173 7.006 1 0 IKAFRN COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3ccc4ccccc4c3)c1NC2 ZINC000040568393 563105126 /nfs/dbraw/zinc/10/51/26/563105126.db2.gz BCGFTRRISHWOOB-UHFFFAOYSA-N 0 0 430.533 5.776 1 0 IKAFRN CCCNc1nccc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)s2)n1 ZINC000040567752 563105131 /nfs/dbraw/zinc/10/51/31/563105131.db2.gz HYOWGDCBCIXWAP-UHFFFAOYSA-N 0 0 435.380 5.306 1 0 IKAFRN C[C@H](C[NH2+]CCCCCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040617267 563105633 /nfs/dbraw/zinc/10/56/33/563105633.db2.gz WMZFNPVKHXBOLV-HSHLGADYSA-N 0 0 445.688 5.797 1 0 IKAFRN CC(C)(C)c1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc(C(C)(C)C)c1O ZINC000040631543 563105638 /nfs/dbraw/zinc/10/56/38/563105638.db2.gz ALEHQMIPNZPUIB-UHFFFAOYSA-N 0 0 443.566 7.245 1 0 IKAFRN CC(C)n1c(C(=O)c2ccccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 ZINC000040762457 563106333 /nfs/dbraw/zinc/10/63/33/563106333.db2.gz SWCUPKSQNAITSK-UHFFFAOYSA-N 0 0 428.826 5.362 1 0 IKAFRN Clc1ccc(Sc2ncnc3ncn([C@H]4COc5ccccc5CO4)c32)c(Cl)c1 ZINC000040833755 563107040 /nfs/dbraw/zinc/10/70/40/563107040.db2.gz NMHGZARKJNKYOQ-QGZVFWFLSA-N 0 0 445.331 5.392 1 0 IKAFRN CC(C)Oc1cc(-c2ccc(CC[NH2+][C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)[O-] ZINC000040835864 563107250 /nfs/dbraw/zinc/10/72/50/563107250.db2.gz WVYCDLWTGGHFDH-SIBVEZHUSA-N 0 0 433.548 5.093 1 0 IKAFRN CC(C)Oc1cc(-c2ccc(CC(C)(C)[NH2+]C[C@H](O)c3ccccc3)cc2)ccc1C(=O)[O-] ZINC000040835657 563107261 /nfs/dbraw/zinc/10/72/61/563107261.db2.gz RCPHVKROPULBDN-VWLOTQADSA-N 0 0 447.575 5.483 1 0 IKAFRN Cc1ncsc1C(=O)N(Cc1cc(=O)oc2c(F)c(F)ccc12)c1cccc(Cl)c1 ZINC000040845133 563107310 /nfs/dbraw/zinc/10/73/10/563107310.db2.gz ZLSRTLYUCOQXSC-UHFFFAOYSA-N 0 0 446.862 5.337 1 0 IKAFRN O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1nnc(-c2ccc(Cl)cc2)s1 ZINC000040846182 563107438 /nfs/dbraw/zinc/10/74/38/563107438.db2.gz GCKSGBQWFVBECH-XNTDXEJSSA-N 0 0 442.931 5.728 1 0 IKAFRN Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3ccc(C)cc3)s2)cc1 ZINC000040848315 563107809 /nfs/dbraw/zinc/10/78/09/563107809.db2.gz YVTLWOKUXBYEKB-DTQAZKPQSA-N 0 0 436.540 5.691 1 0 IKAFRN Cc1cc(NC(=O)c2ccccc2Cl)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2n1 ZINC000040861307 563108073 /nfs/dbraw/zinc/10/80/73/563108073.db2.gz SZZBCKFBWVXCKF-UHFFFAOYSA-N 0 0 448.885 6.232 1 0 IKAFRN O=C(Nc1ccc(Oc2ccnc3[nH]ccc32)c(F)c1)c1cccc(-c2ccccc2)[n+]1[O-] ZINC000040861805 563108195 /nfs/dbraw/zinc/10/81/95/563108195.db2.gz QDVLUPLLJVFWGU-UHFFFAOYSA-N 0 0 440.434 5.047 1 0 IKAFRN O=C(Nc1ccc(CCNc2ncnc3ccsc32)cc1)c1cccc(C(F)(F)F)c1 ZINC000040863414 563108471 /nfs/dbraw/zinc/10/84/71/563108471.db2.gz LSCKUUOMMSYITN-UHFFFAOYSA-N 0 0 442.466 5.617 1 0 IKAFRN COc1cc2cc(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)[nH]c2cc1OCc1ccccc1 ZINC000040865545 563108702 /nfs/dbraw/zinc/10/87/02/563108702.db2.gz KGNHYQFGNJNUCU-JAIQZWGSSA-N 0 0 444.512 5.790 1 0 IKAFRN CCOc1ccc(Cc2nc3cc(N(C)C(=O)c4cccs4)ccc3n2CC2CC2)cc1 ZINC000040866334 563108787 /nfs/dbraw/zinc/10/87/87/563108787.db2.gz GSVIYFPRZFISQC-UHFFFAOYSA-N 0 0 445.588 5.774 1 0 IKAFRN FC(F)(F)c1cccc(-n2cc(-c3ccccc3NCc3ccnc4ccccc34)nn2)c1 ZINC000040872331 563108944 /nfs/dbraw/zinc/10/89/44/563108944.db2.gz CWVKNIDRKPXYHR-UHFFFAOYSA-N 0 0 445.448 6.113 1 0 IKAFRN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)c(C)c1C ZINC000040872710 563109017 /nfs/dbraw/zinc/10/90/17/563109017.db2.gz IRGZMWLWLHSDHZ-UHFFFAOYSA-N 0 0 433.577 5.428 1 0 IKAFRN CC[C@]1(c2ccc(COc3cccc(Cl)c3)cc2)Oc2cccnc2-n2cccc2C1=O ZINC000040873307 563109086 /nfs/dbraw/zinc/10/90/86/563109086.db2.gz IOZGSYPNQLLINU-AREMUKBSSA-N 0 0 444.918 5.985 1 0 IKAFRN COC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000040873651 563109185 /nfs/dbraw/zinc/10/91/85/563109185.db2.gz QZSHRWUWIWPXJR-POURPWNDSA-N 0 0 446.550 5.759 1 0 IKAFRN O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc21)c1ccc(C(F)(F)F)cc1 ZINC000040876472 563109493 /nfs/dbraw/zinc/10/94/93/563109493.db2.gz YNIHCBBKFBEWSW-UHFFFAOYSA-N 0 0 432.405 5.845 1 0 IKAFRN COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4cccc(C(C)=O)c4)cc32)cc1 ZINC000040879291 563109694 /nfs/dbraw/zinc/10/96/94/563109694.db2.gz WBOXLFIWRIEHPG-UHFFFAOYSA-N 0 0 427.464 5.229 1 0 IKAFRN Cc1[nH]cc(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Br ZINC000040880063 563109748 /nfs/dbraw/zinc/10/97/48/563109748.db2.gz VFAJYJCJUDRTID-UHFFFAOYSA-N 0 0 440.215 5.804 1 0 IKAFRN COc1nc2ccc(Br)cc2cc1[C@H](NCc1cccs1)c1ccccc1 ZINC000040891873 563110011 /nfs/dbraw/zinc/11/00/11/563110011.db2.gz ZDUJDGHWGWHOPO-OAQYLSRUSA-N 0 0 439.378 5.947 1 0 IKAFRN Cc1c(C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000040900084 563110922 /nfs/dbraw/zinc/11/09/22/563110922.db2.gz HTNQPZMEYCPBQH-UHFFFAOYSA-N 0 0 437.326 5.534 1 0 IKAFRN COc1cc2ccc1-c1ccc(O)cc1CCc1ccc(cc1)Oc1cc(ccc1O)CC2 ZINC000040901183 563111049 /nfs/dbraw/zinc/11/10/49/563111049.db2.gz CIDCISRMIMBWEX-UHFFFAOYSA-N 0 0 438.523 6.450 1 0 IKAFRN O=C(NC1CCCC1)Oc1cc(-c2ccccc2)cc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000040915266 563111348 /nfs/dbraw/zinc/11/13/48/563111348.db2.gz URSAFCFBRCYNFV-UHFFFAOYSA-N 0 0 426.343 7.358 1 0 IKAFRN CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3cccc(C(F)(F)F)c32)on1 ZINC000040918116 563111769 /nfs/dbraw/zinc/11/17/69/563111769.db2.gz HQANIJIMTMSKAL-UHFFFAOYSA-N 0 0 434.292 5.016 1 0 IKAFRN COc1ccc([C@H]2C[C@@H]2CSc2nc([C@@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000040918378 563111771 /nfs/dbraw/zinc/11/17/71/563111771.db2.gz HXYXHOWEKCGYDL-FDQGKXFDSA-N 0 0 442.531 5.413 1 0 IKAFRN N=C1SC(=Cc2c[nH]nc2-c2ccc(-c3cccc(F)c3)cc2)C(=O)N1c1nccs1 ZINC000040918235 563111775 /nfs/dbraw/zinc/11/17/75/563111775.db2.gz QGYMSMGWRBVICJ-JERZPRFUSA-N 0 0 447.520 5.395 1 0 IKAFRN COc1ccc([C@@H]2C[C@@H]2CSc2nc([C@@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000040918971 563111954 /nfs/dbraw/zinc/11/19/54/563111954.db2.gz HXYXHOWEKCGYDL-XCRHUMRWSA-N 0 0 442.531 5.413 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cc(OC)ccc1C ZINC000040919106 563112040 /nfs/dbraw/zinc/11/20/40/563112040.db2.gz FTCMUWROYDNZCB-QFIPXVFZSA-N 0 0 430.592 6.689 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1cc(CO)ccc1C ZINC000040919209 563112113 /nfs/dbraw/zinc/11/21/13/563112113.db2.gz ZPQBDCPWRMYVJM-JOCHJYFZSA-N 0 0 430.592 6.172 1 0 IKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cc(CO)ccc1C ZINC000040919208 563112142 /nfs/dbraw/zinc/11/21/42/563112142.db2.gz ZPQBDCPWRMYVJM-QFIPXVFZSA-N 0 0 430.592 6.172 1 0 IKAFRN C[N@H+](CCNc1ccc(Oc2ccc(-c3ncco3)cc2)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000040933926 563112282 /nfs/dbraw/zinc/11/22/82/563112282.db2.gz LHEHUKYYTOVVDI-UHFFFAOYSA-N 0 0 443.503 5.376 1 0 IKAFRN CCSC(=S)SCC(=O)c1ccc(NC(=O)c2cnc3ccccc3c2)cc1 ZINC000040934208 563112382 /nfs/dbraw/zinc/11/23/82/563112382.db2.gz IILRWSXHDDKZBJ-UHFFFAOYSA-N 0 0 426.588 5.441 1 0 IKAFRN CC(C)(C)Oc1cccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)c3ccccc32)c1 ZINC000040934643 563112457 /nfs/dbraw/zinc/11/24/57/563112457.db2.gz UBVMBWZXFJRNAU-GDLZYMKVSA-N 0 0 447.578 7.205 1 0 IKAFRN CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000040934585 563112458 /nfs/dbraw/zinc/11/24/58/563112458.db2.gz LJJLFLNKMQSUFO-BAWRFWPYSA-N 0 0 444.744 7.650 1 0 IKAFRN CSc1nc(-c2ccnc(NCc3cccs3)c2)c(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000040934334 563112472 /nfs/dbraw/zinc/11/24/72/563112472.db2.gz YATJLVWJXJHVEQ-UHFFFAOYSA-N 0 0 446.523 6.553 1 0 IKAFRN COc1cc2nccc(Oc3cc(C)c(Cl)cc3C(=O)c3ccccc3)c2cc1OC ZINC000040937237 563112904 /nfs/dbraw/zinc/11/29/04/563112904.db2.gz XNQHVHGQJCBTOW-UHFFFAOYSA-N 0 0 433.891 6.237 1 0 IKAFRN O=C([O-])C[C@H]1CCCn2c3cc[nH+]c(C4CC4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040937566 563113073 /nfs/dbraw/zinc/11/30/73/563113073.db2.gz MXTAFTXCFGYNEF-CYBMUJFWSA-N 0 0 447.387 6.724 1 0 IKAFRN COC(=O)c1ccc(NCc2cncn2Cc2ccc(OC)cc2)cc1-c1ccccc1 ZINC000040938125 563113150 /nfs/dbraw/zinc/11/31/50/563113150.db2.gz OKJNGMVJSQOGQQ-UHFFFAOYSA-N 0 0 427.504 5.006 1 0 IKAFRN Cc1c(C(=O)NC(=O)C2CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040938491 563113261 /nfs/dbraw/zinc/11/32/61/563113261.db2.gz HSMQETNNZLFVEW-UHFFFAOYSA-N 0 0 448.737 5.474 1 0 IKAFRN CCc1[nH+]ccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@@H]1CC(=O)[O-] ZINC000040939773 563113355 /nfs/dbraw/zinc/11/33/55/563113355.db2.gz JOFLGUSOCJPFHK-GFCCVEGCSA-N 0 0 435.376 6.409 1 0 IKAFRN COc1cc(Nc2cncc(Oc3ccccc3-c3ccccc3)n2)cc(OC)c1OC ZINC000040940137 563113392 /nfs/dbraw/zinc/11/33/92/563113392.db2.gz OECAUKNWGCZXRA-UHFFFAOYSA-N 0 0 429.476 5.705 1 0 IKAFRN CC(C)c1[nH+]ccc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CC[C@@H]1CC(=O)[O-] ZINC000040943008 563113527 /nfs/dbraw/zinc/11/35/27/563113527.db2.gz TVWCZWHZDBNWDN-CYBMUJFWSA-N 0 0 434.483 6.292 1 0 IKAFRN O=C(Nc1cncnc1)c1c2onc(Nc3ccc(C(F)(F)F)cc3)c2ccc1Cl ZINC000040949543 563113744 /nfs/dbraw/zinc/11/37/44/563113744.db2.gz DJYCTTVILKPUFQ-UHFFFAOYSA-N 0 0 433.777 5.286 1 0 IKAFRN O=C(Nc1ccc(Cl)cc1)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1 ZINC000040951280 563114018 /nfs/dbraw/zinc/11/40/18/563114018.db2.gz LLWXPCNPTNSXEA-UHFFFAOYSA-N 0 0 449.873 5.714 1 0 IKAFRN Clc1ccccc1[C@H]1CC(c2ccccc2)=NN1c1nc2nc3ccccc3nc2s1 ZINC000040951645 563114028 /nfs/dbraw/zinc/11/40/28/563114028.db2.gz YJXJHDWUQIGAEU-OAQYLSRUSA-N 0 0 441.947 6.249 1 0 IKAFRN c1[nH]c2ccccc2c1[C@@H]1CC(c2ccccc2)=NN1c1nc2nc3ccccc3nc2s1 ZINC000040951945 563114097 /nfs/dbraw/zinc/11/40/97/563114097.db2.gz VUXIXOIOKPJPNV-QHCPKHFHSA-N 0 0 446.539 6.077 1 0 IKAFRN CCNC(=O)Nc1ccccc1SCCCSc1ccccc1NC(=O)NCC ZINC000040952290 563114101 /nfs/dbraw/zinc/11/41/01/563114101.db2.gz HIOGNGFVXIQSIP-UHFFFAOYSA-N 0 0 432.615 5.244 1 0 IKAFRN CCOC(=O)c1cc2c3ccccc3n(CC)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000040952151 563114108 /nfs/dbraw/zinc/11/41/08/563114108.db2.gz JHTYADLGCBKNDX-UHFFFAOYSA-N 0 0 434.492 5.079 1 0 IKAFRN COc1ccc(Cl)cc1Nc1nc(-c2cccc(NC(=O)C(C)(C)C)c2)c(C)s1 ZINC000040954137 563114364 /nfs/dbraw/zinc/11/43/64/563114364.db2.gz GLVXKYJSOKRJNB-UHFFFAOYSA-N 0 0 429.973 6.509 1 0 IKAFRN CCn1cc(-c2ccnc3[nH]ccc32)c(-c2cccc(NC(=O)NCc3ccccc3)c2)n1 ZINC000040955373 563114679 /nfs/dbraw/zinc/11/46/79/563114679.db2.gz YPZBXHLQIIRGGT-UHFFFAOYSA-N 0 0 436.519 5.435 1 0 IKAFRN C(=C/c1cc(NCc2ccccc2)nc(NCc2cccc3ccccc32)n1)\c1ccccc1 ZINC000040955867 563114686 /nfs/dbraw/zinc/11/46/86/563114686.db2.gz SPOMLFIUOBPSBN-VHEBQXMUSA-N 0 0 442.566 7.024 1 0 IKAFRN Fc1cc(-c2[nH]c(SCc3ccccc3)nc2-c2cccc(C(F)(F)F)c2)ccn1 ZINC000040957549 563114819 /nfs/dbraw/zinc/11/48/19/563114819.db2.gz UDOSTEVZSCPYSK-UHFFFAOYSA-N 0 0 429.442 6.589 1 0 IKAFRN CSc1nc(-c2ccnc(N[C@H]3CCCc4ccccc43)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000040957076 563114848 /nfs/dbraw/zinc/11/48/48/563114848.db2.gz VRFQIBYIEAYTBZ-NRFANRHFSA-N 0 0 430.552 6.489 1 0 IKAFRN Brc1ccccc1[C@@H]1[C@H](OCc2ccccc2)COCN1Cc1ccccc1 ZINC000040973629 563115003 /nfs/dbraw/zinc/11/50/03/563115003.db2.gz BSKQIGCPZPAHLV-DNQXCXABSA-N 0 0 438.365 5.566 1 0 IKAFRN C[C@@H]1CC[C@]2(O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000040973560 563115048 /nfs/dbraw/zinc/11/50/48/563115048.db2.gz OHURLQYFJBUGGV-SQPCZADNSA-N 0 0 428.701 6.750 1 0 IKAFRN CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(N3CCCC3)cc21 ZINC000040973564 563115049 /nfs/dbraw/zinc/11/50/49/563115049.db2.gz PZISZCAOGDXBMN-HXUWFJFHSA-N 0 0 431.580 5.283 1 0 IKAFRN O=C([O-])c1ccc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)cc1 ZINC000040973941 563115111 /nfs/dbraw/zinc/11/51/11/563115111.db2.gz AGTKWPGCGIAEEZ-URXFXBBRSA-N 0 0 437.923 5.011 1 0 IKAFRN CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c1ccco1)c1ccc(C(Cl)(Cl)Cl)cc1 ZINC000040975356 563115289 /nfs/dbraw/zinc/11/52/89/563115289.db2.gz NGTRYZMDEKMWHS-SLYNCCJLSA-N 0 0 442.814 7.184 1 0 IKAFRN CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccc(F)cc4C)no3)ccc21 ZINC000040980352 563115594 /nfs/dbraw/zinc/11/55/94/563115594.db2.gz SSHGXSSBOQFBGD-UHFFFAOYSA-N 0 0 442.494 5.883 1 0 IKAFRN O=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1cnc2ccc(Cl)cc2c1 ZINC000040980181 563115596 /nfs/dbraw/zinc/11/55/96/563115596.db2.gz WKGLRZUKOWJGKM-UHFFFAOYSA-N 0 0 431.254 5.302 1 0 IKAFRN C[C@@H](OC[C@@]1(c2ccccc2)CCC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000042888830 563115985 /nfs/dbraw/zinc/11/59/85/563115985.db2.gz SFOWLACMCFEDLL-BFUOFWGJSA-N 0 0 431.376 5.607 1 0 IKAFRN CCCCCc1cc(O)cc(O)c1Oc1cc(OC)cc2c1C(=O)O[C@@]2(O)CCCC ZINC000043009264 563116350 /nfs/dbraw/zinc/11/63/50/563116350.db2.gz PDZXHKSZUJKQQU-DEOSSOPVSA-N 0 0 430.497 5.137 1 0 IKAFRN Cc1ccc(C2=NN(C3=NC(=O)CS3)[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000043013109 563116652 /nfs/dbraw/zinc/11/66/52/563116652.db2.gz QOCJGFVGVAIJLM-XMMPIXPASA-N 0 0 441.556 5.355 1 0 IKAFRN CCOC(=O)N1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1 ZINC000043015752 563116868 /nfs/dbraw/zinc/11/68/68/563116868.db2.gz AKQRZCAKTSCFIF-JOCHJYFZSA-N 0 0 446.482 5.850 1 0 IKAFRN CC(C)(C)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1 ZINC000043019986 563117121 /nfs/dbraw/zinc/11/71/21/563117121.db2.gz YQQGXMBZQVEFAU-UHFFFAOYSA-N 0 0 437.465 6.570 1 0 IKAFRN O=C(Cc1cccc(C(F)(F)F)c1F)Nc1c(Cl)ccc2c(=O)n(C3CC3)ccc21 ZINC000043019742 563117130 /nfs/dbraw/zinc/11/71/30/563117130.db2.gz SDLZXOVEIPZEOS-UHFFFAOYSA-N 0 0 438.808 5.329 1 0 IKAFRN CCOC(=O)N1CCC[C@@H]1c1cc2[nH]c(-c3ccccc3)nc2cc1Oc1ccc(F)cc1 ZINC000043021199 563117152 /nfs/dbraw/zinc/11/71/52/563117152.db2.gz GBUHKHMECCYFOX-HSZRJFAPSA-N 0 0 445.494 6.455 1 0 IKAFRN CCOC(=O)N1CCC[C@@H]1c1cc2[nH]c(-c3cccnc3)nc2cc1Oc1ccc(F)cc1 ZINC000043021452 563117168 /nfs/dbraw/zinc/11/71/68/563117168.db2.gz XAAFFLZWYJXBHA-JOCHJYFZSA-N 0 0 446.482 5.850 1 0 IKAFRN Nc1scc(-c2ccc(I)cc2)c1C(=O)c1ccc(Cl)cc1 ZINC000043060857 563117646 /nfs/dbraw/zinc/11/76/46/563117646.db2.gz GEDQSLONRKAJTB-UHFFFAOYSA-N 0 0 439.705 5.486 1 0 IKAFRN CC(C)(O)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1 ZINC000043068759 563118002 /nfs/dbraw/zinc/11/80/02/563118002.db2.gz QONFNBKHAYEZNJ-UHFFFAOYSA-N 0 0 439.437 5.500 1 0 IKAFRN O=c1c(NCc2cccnc2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1 ZINC000043076793 563118363 /nfs/dbraw/zinc/11/83/63/563118363.db2.gz TYOHABJIXOLDDV-UHFFFAOYSA-N 0 0 443.526 5.185 1 0 IKAFRN CCCCCCSc1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1Cl ZINC000043078223 563118401 /nfs/dbraw/zinc/11/84/01/563118401.db2.gz YIMFDMDJYWPYSM-UHFFFAOYSA-N 0 0 445.456 5.403 1 0 IKAFRN COc1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2[C@H]2CCCN2C(C)=O)cc1 ZINC000043120142 563118771 /nfs/dbraw/zinc/11/87/71/563118771.db2.gz GRQKQQXHGYBBAJ-HSZRJFAPSA-N 0 0 428.492 5.109 1 0 IKAFRN COC[C@@H](C)n1cc(Cl)nc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c1=O ZINC000043120161 563118809 /nfs/dbraw/zinc/11/88/09/563118809.db2.gz RZWPKCTWLVNKBF-SSDOTTSWSA-N 0 0 430.641 5.173 1 0 IKAFRN Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-c1ccc(C2CC2)cc1 ZINC000043122469 563118994 /nfs/dbraw/zinc/11/89/94/563118994.db2.gz QRKGJXHTOACYON-UHFFFAOYSA-N 0 0 434.971 5.509 1 0 IKAFRN CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ncnc3nc(C(C)C)ccc32)cc1 ZINC000043154340 563119182 /nfs/dbraw/zinc/11/91/82/563119182.db2.gz QBHIWYBJGRFLHQ-UHFFFAOYSA-N 0 0 443.576 6.310 1 0 IKAFRN OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc54)c(Cl)c3)c21 ZINC000043208434 563119610 /nfs/dbraw/zinc/11/96/10/563119610.db2.gz OSBNTMYQLUCHOK-UHFFFAOYSA-N 0 0 437.912 5.223 1 0 IKAFRN CS(=O)(=O)c1cccc(-c2cccc(-c3ccnc4c3cccc4C(F)(F)F)c2)c1 ZINC000043207092 563119664 /nfs/dbraw/zinc/11/96/64/563119664.db2.gz KIITVWQUUAGGON-UHFFFAOYSA-N 0 0 427.447 5.991 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C1CC1 ZINC000043242102 563119733 /nfs/dbraw/zinc/11/97/33/563119733.db2.gz HKWKUDAFIYUXJR-UGMXIYSVSA-N 0 0 436.768 10.995 1 0 IKAFRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@]5(C)C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000044118250 563121624 /nfs/dbraw/zinc/12/16/24/563121624.db2.gz KIRMCTIJFAATOA-XRPMDBRGSA-N 0 0 444.656 5.363 1 0 IKAFRN Cc1cc2c(cccc2NC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC000045167660 563122429 /nfs/dbraw/zinc/12/24/29/563122429.db2.gz ZFMSOKJGOFUEFN-UHFFFAOYSA-N 0 0 443.378 5.636 1 0 IKAFRN C[C@@H](O)[C@H]1CCCCN1C(=O)c1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1 ZINC000045168020 563122606 /nfs/dbraw/zinc/12/26/06/563122606.db2.gz CFCZRWBWIKPDDJ-CRICUBBOSA-N 0 0 443.522 5.412 1 0 IKAFRN CCCCCCc1cc(OC)c(OC)cc1[C@@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000045168537 563122674 /nfs/dbraw/zinc/12/26/74/563122674.db2.gz JACIUQMSRSDLKE-QGZVFWFLSA-N 0 0 426.988 7.201 1 0 IKAFRN COc1ccc(NC(=O)Nc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1 ZINC000045187397 563122870 /nfs/dbraw/zinc/12/28/70/563122870.db2.gz OYELKKRGOKFMHP-UHFFFAOYSA-N 0 0 434.499 6.550 1 0 IKAFRN O=c1cc(NCCC[NH2+]Cc2ccc(Cl)c(Cl)c2)[nH]c2ccc(C(F)(F)F)cc12 ZINC000045188926 563123107 /nfs/dbraw/zinc/12/31/07/563123107.db2.gz YVRIGDPBBMWKKJ-UHFFFAOYSA-N 0 0 444.284 5.446 1 0 IKAFRN O=C(Nc1ccsc1)Nc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1 ZINC000045189519 563123241 /nfs/dbraw/zinc/12/32/41/563123241.db2.gz GBVKMFBQVLCKQP-UHFFFAOYSA-N 0 0 428.492 6.742 1 0 IKAFRN COc1cccc(-c2cc(-c3ccc(NC(=O)c4ccccc4)cc3)c3c(N)ncnc3n2)c1 ZINC000045189394 563123254 /nfs/dbraw/zinc/12/32/54/563123254.db2.gz CRLAGALNEPTVIK-UHFFFAOYSA-N 0 0 447.498 5.202 1 0 IKAFRN O=C(CCc1c[nH]cn1)Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1 ZINC000045189575 563123384 /nfs/dbraw/zinc/12/33/84/563123384.db2.gz BHKGUTXPVFYGEK-UHFFFAOYSA-N 0 0 425.467 5.330 1 0 IKAFRN CC1(C)CCNc2cc(NC(=O)c3ccc(-c4ncccc4C(F)(F)F)cc3)ccc21 ZINC000045190290 563123495 /nfs/dbraw/zinc/12/34/95/563123495.db2.gz UDVKTUWUHNPRFO-UHFFFAOYSA-N 0 0 425.454 6.113 1 0 IKAFRN O=C(Nc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1)c1cnn2cccnc12 ZINC000045192310 563123839 /nfs/dbraw/zinc/12/38/39/563123839.db2.gz KRTNXWCJNRSDHO-UHFFFAOYSA-N 0 0 448.461 5.331 1 0 IKAFRN COc1cc(C2CCCCC2)c(OC)cc1C[C@H]1c2cc(O)c(Cl)cc2CCN1C ZINC000045194054 563124190 /nfs/dbraw/zinc/12/41/90/563124190.db2.gz QEOHGLYJOMUWFA-QFIPXVFZSA-N 0 0 429.988 5.882 1 0 IKAFRN O=C(Nc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1)c1ccoc1 ZINC000045195332 563124446 /nfs/dbraw/zinc/12/44/46/563124446.db2.gz NMRGGXTXWAIPHC-UHFFFAOYSA-N 0 0 447.416 6.761 1 0 IKAFRN Cn1cccc1C(=O)C(=O)Nc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000045201621 563124775 /nfs/dbraw/zinc/12/47/75/563124775.db2.gz KLWORNGAFAVKSU-UHFFFAOYSA-N 0 0 438.462 5.196 1 0 IKAFRN FC(F)(F)c1cccc(Nc2nc3nonc3nc2NC2C3CC4CC(C3)CC2C4)c1 ZINC000045201862 563124785 /nfs/dbraw/zinc/12/47/85/563124785.db2.gz AMQBNYRMQLOIED-UHFFFAOYSA-N 0 0 430.434 5.012 1 0 IKAFRN Cc1[nH]c(C)c(-c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)c(=O)c1Br ZINC000045228779 563125719 /nfs/dbraw/zinc/12/57/19/563125719.db2.gz SNWFBEMYNMVWTE-UHFFFAOYSA-N 0 0 438.243 5.987 1 0 IKAFRN CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)C1c1nc2cccc(Cl)c2n1C ZINC000045245125 563126391 /nfs/dbraw/zinc/12/63/91/563126391.db2.gz LVTFUDVKPXBROB-IBGZPJMESA-N 0 0 444.753 6.176 1 0 IKAFRN CC(C)c1ccc(C(=O)NC[C@]2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)cc1 ZINC000045255512 563127263 /nfs/dbraw/zinc/12/72/63/563127263.db2.gz UDAIVTJWMNDIHV-IBGZPJMESA-N 0 0 426.822 5.213 1 0 IKAFRN CCOC(=O)c1cc([C@@H](C)Oc2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)on1 ZINC000045256523 563127306 /nfs/dbraw/zinc/12/73/06/563127306.db2.gz WFXFQABNPYTLNK-SECBINFHSA-N 0 0 448.319 5.577 1 0 IKAFRN Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000045258590 563127476 /nfs/dbraw/zinc/12/74/76/563127476.db2.gz RGFXAEWWEUXTCN-UHFFFAOYSA-N 0 0 429.499 5.008 1 0 IKAFRN CNc1nc2ccc(C)cc2c(NCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000045258597 563127478 /nfs/dbraw/zinc/12/74/78/563127478.db2.gz RGPXAJSDCKQSRK-UHFFFAOYSA-N 0 0 431.927 5.498 1 0 IKAFRN COc1ccc([C@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)OC(C)(C)C ZINC000045260955 563127729 /nfs/dbraw/zinc/12/77/29/563127729.db2.gz ZETKNZHIJVJONK-SJORKVTESA-N 0 0 429.513 5.339 1 0 IKAFRN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2nc3ccc(C(F)(F)F)cc3n2O)cc1 ZINC000045284061 563128034 /nfs/dbraw/zinc/12/80/34/563128034.db2.gz PBOQTKOCUSEWOI-KGVSQERTSA-N 0 0 441.384 5.750 1 0 IKAFRN [NH3+]Cc1cccc(-c2cccc(Oc3nc(Oc4ccc(C(=O)[O-])cc4)c(F)cc3F)c2)c1 ZINC000045286241 563128250 /nfs/dbraw/zinc/12/82/50/563128250.db2.gz SXFOTLOMZVLICU-UHFFFAOYSA-N 0 0 448.425 5.768 1 0 IKAFRN O=C(Nc1ccc(F)cc1)OC[C@@]1(c2ccccc2)OC(=O)Nc2ccc(Cl)cc21 ZINC000045285699 563128290 /nfs/dbraw/zinc/12/82/90/563128290.db2.gz JZSZQUFZQQVHGY-QFIPXVFZSA-N 0 0 426.831 5.534 1 0 IKAFRN Clc1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(Cl)cc5)o4)cc3)o2)cc1 ZINC000045286417 563128331 /nfs/dbraw/zinc/12/83/31/563128331.db2.gz KMXFWZZDDDXOCD-UHFFFAOYSA-N 0 0 435.270 6.427 1 0 IKAFRN CCC(CC)[C@H](c1ccnn1-c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)s1 ZINC000045286505 563128334 /nfs/dbraw/zinc/12/83/34/563128334.db2.gz XWGOXXGKDYVVJF-HXUWFJFHSA-N 0 0 438.018 5.385 1 0 IKAFRN CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)C1c1nc2cc(F)ccc2n1C ZINC000045287685 563128482 /nfs/dbraw/zinc/12/84/82/563128482.db2.gz GSXVIOPVSCTVSK-HXUWFJFHSA-N 0 0 428.298 5.662 1 0 IKAFRN OC[C@H](O)COc1ccc(C2c3c(ccc4ccccc43)Oc3ccc4ccccc4c32)cc1 ZINC000045287527 563128499 /nfs/dbraw/zinc/12/84/99/563128499.db2.gz WLAUTHGGDFAPTM-QFIPXVFZSA-N 0 0 448.518 6.011 1 0 IKAFRN CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1nccn1Cc1ccccc1 ZINC000045289363 563128664 /nfs/dbraw/zinc/12/86/64/563128664.db2.gz MZXOJLUENNUYRY-LJQANCHMSA-N 0 0 438.018 5.102 1 0 IKAFRN S=C(Nc1ccc(Cl)cc1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 ZINC000045300043 563129029 /nfs/dbraw/zinc/12/90/29/563129029.db2.gz WBLDSEURDYUULL-UHFFFAOYSA-N 0 0 440.359 6.489 1 0 IKAFRN O[C@]1(c2ccccc2)c2cc(Cl)ccc2O[C@H]1c1nc2c(o1)c(Cl)ccc2Cl ZINC000045302018 563129423 /nfs/dbraw/zinc/12/94/23/563129423.db2.gz VOBKRGOZFWUAFL-PZJWPPBQSA-N 0 0 432.690 6.158 1 0 IKAFRN Cc1cccc2[nH]c(-c3ccc(-c4ccc(NC(=O)C(=O)c5cccn5C)cc4)cc3)nc21 ZINC000045302216 563129432 /nfs/dbraw/zinc/12/94/32/563129432.db2.gz HVKDUPBDPDMSDM-UHFFFAOYSA-N 0 0 434.499 5.365 1 0 IKAFRN O=C(Nc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000045302488 563129515 /nfs/dbraw/zinc/12/95/15/563129515.db2.gz WHTRJAOBCQTGRW-SQHAQQRYSA-N 0 0 444.538 6.575 1 0 IKAFRN O=C(NC1CC1)c1ccc2cc(C(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)ccc2c1 ZINC000045302602 563129538 /nfs/dbraw/zinc/12/95/38/563129538.db2.gz WECSHLFKFXTYJQ-MUUNZHRXSA-N 0 0 446.550 5.520 1 0 IKAFRN FC(F)(F)Oc1ccc([C@@H]2CC([C@@H]3CCC[C@H]3c3cc(-c4ccccc4)on3)=NO2)cc1 ZINC000045318109 563130024 /nfs/dbraw/zinc/13/00/24/563130024.db2.gz MVMYCZRXDDPASS-PWHSHALESA-N 0 0 442.437 6.642 1 0 IKAFRN CCCCNC(=O)c1ccc2c(c1)N=C(C[C@@H](C)c1ccccc1)N(C1CCCCC1)C2 ZINC000045318812 563130125 /nfs/dbraw/zinc/13/01/25/563130125.db2.gz YITSWFJJNKPVTD-OAQYLSRUSA-N 0 0 431.624 6.589 1 0 IKAFRN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cn3ccsc3n2)c1 ZINC000045320709 563130216 /nfs/dbraw/zinc/13/02/16/563130216.db2.gz VFYKVHFFNGGOIO-UHFFFAOYSA-N 0 0 436.846 5.691 1 0 IKAFRN NC(=O)c1cccc(Nc2nccc(Nc3ccc(Oc4ccc5ccccc5c4)cc3)n2)c1 ZINC000045323120 563130560 /nfs/dbraw/zinc/13/05/60/563130560.db2.gz IRNJCJCIJDHYNS-UHFFFAOYSA-N 0 0 447.498 6.008 1 0 IKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)NCc5ccccc5)cc4)c3)nc21 ZINC000045323522 563130662 /nfs/dbraw/zinc/13/06/62/563130662.db2.gz IRAIOOQWGDBOIK-UHFFFAOYSA-N 0 0 432.527 6.527 1 0 IKAFRN CN(c1ccc(C[NH+]2CCC3(CC2)OCc2cc(F)ncc23)cc1)c1ccc(F)c(F)c1 ZINC000045324725 563130910 /nfs/dbraw/zinc/13/09/10/563130910.db2.gz IYEJAIHDFCXVRY-UHFFFAOYSA-N 0 0 439.481 5.288 1 0 IKAFRN CCCCC(=O)N[C@@H](C)c1ccc(-c2ccc(Oc3ccc(OCCC)cc3)cc2)cc1 ZINC000045325021 563131022 /nfs/dbraw/zinc/13/10/22/563131022.db2.gz OLXZHWDLQVSTGZ-NRFANRHFSA-N 0 0 431.576 7.302 1 0 IKAFRN Cc1cccc2[nH]c(-c3ccc(-c4cccc(C(=O)N5CCCC[C@@H]5[C@@H](C)O)c4)s3)nc21 ZINC000045334555 563131036 /nfs/dbraw/zinc/13/10/36/563131036.db2.gz FEONNFNUMJIIFV-DYESRHJHSA-N 0 0 445.588 5.642 1 0 IKAFRN C[C@H](O)[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000045334907 563131189 /nfs/dbraw/zinc/13/11/89/563131189.db2.gz LFLWFUKVHCOBTD-SSOJOUAXSA-N 0 0 443.522 5.412 1 0 IKAFRN Cc1cccc2[nH]c(-c3ccc(-c4cccc(NCc5cn6cccnc6n5)c4)cc3)nc21 ZINC000045336793 563131515 /nfs/dbraw/zinc/13/15/15/563131515.db2.gz HLZNUUMSBDHJPI-UHFFFAOYSA-N 0 0 430.515 5.860 1 0 IKAFRN O=C(Nc1nonc1NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000045336554 563131533 /nfs/dbraw/zinc/13/15/33/563131533.db2.gz DTRWBMYIPKRKIG-UHFFFAOYSA-N 0 0 446.077 5.188 1 0 IKAFRN O=C1[C@@H](Cc2ccc(F)c(F)c2)CC[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000045352666 563132333 /nfs/dbraw/zinc/13/23/33/563132333.db2.gz SJAHNQMIWHQHEX-UZUQRXQVSA-N 0 0 446.324 6.999 1 0 IKAFRN Cc1nc2c(cccc2C(F)(F)F)n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000045353000 563132334 /nfs/dbraw/zinc/13/23/34/563132334.db2.gz DGPCIFPFGHXRIB-UHFFFAOYSA-N 0 0 446.450 5.549 1 0 IKAFRN COC(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c3cccc4C(F)(F)F)c2)c1 ZINC000045353652 563132405 /nfs/dbraw/zinc/13/24/05/563132405.db2.gz IRYOLFKGTYJEPS-UHFFFAOYSA-N 0 0 437.417 6.808 1 0 IKAFRN O=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(Oc2cccc3[nH]c(=O)[nH]c32)c1 ZINC000045358015 563132803 /nfs/dbraw/zinc/13/28/03/563132803.db2.gz YYRFDKCLOCTQKR-UHFFFAOYSA-N 0 0 431.345 5.059 1 0 IKAFRN COc1ccc(-c2ccccc2)c2cc(C(=O)Nc3ccc(Cn4ccnc4)cc3)sc21 ZINC000045358403 563132870 /nfs/dbraw/zinc/13/28/70/563132870.db2.gz JVEFKELMOQHINV-UHFFFAOYSA-N 0 0 439.540 6.074 1 0 IKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)c(F)c(-c3cccnc3)c1)CC2 ZINC000045366535 563133060 /nfs/dbraw/zinc/13/30/60/563133060.db2.gz HEOKREYLGYFWPZ-UHFFFAOYSA-N 0 0 449.379 5.649 1 0 IKAFRN O=C(Nc1ccc(Oc2cccc3[nH]c(=O)[nH]c32)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000045368266 563133257 /nfs/dbraw/zinc/13/32/57/563133257.db2.gz CXYOIGZTRITQQY-UHFFFAOYSA-N 0 0 447.800 5.573 1 0 IKAFRN O=C(NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)C1CC1 ZINC000045370620 563133351 /nfs/dbraw/zinc/13/33/51/563133351.db2.gz KVQFDDPVQAENDN-QKKBWIMNSA-N 0 0 437.798 6.131 1 0 IKAFRN CC(C)(C)c1ccc(C(=O)N2CCCn3cccc3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000045371665 563133440 /nfs/dbraw/zinc/13/34/40/563133440.db2.gz VSYNPBFPJHNHDO-SANMLTNESA-N 0 0 428.620 6.719 1 0 IKAFRN O[C@@H](Cn1cnc2ccccc21)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000045374758 563133605 /nfs/dbraw/zinc/13/36/05/563133605.db2.gz VNOVQLJFNCUXLN-INIZCTEOSA-N 0 0 425.332 5.356 1 0 IKAFRN CS(=O)(=O)c1ccc(C(=O)c2sc(Nc3ccccc3)nc2-c2ccccc2)cc1 ZINC000045374567 563133622 /nfs/dbraw/zinc/13/36/22/563133622.db2.gz IILYBKYBRATCRC-UHFFFAOYSA-N 0 0 434.542 5.188 1 0 in-vitro IKAFRN O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c32)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000045386137 563133819 /nfs/dbraw/zinc/13/38/19/563133819.db2.gz ORZMVLZHBVHGDF-UHFFFAOYSA-N 0 0 447.800 5.573 1 0 IKAFRN O=C(NC1CCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000045495944 563134409 /nfs/dbraw/zinc/13/44/09/563134409.db2.gz OANLDZVRJDMUGO-UHFFFAOYSA-N 0 0 446.422 5.743 1 0 IKAFRN Fc1cccc(-c2nc3ccccc3n2Cc2cn(-c3ccc(C(F)(F)F)cc3)nn2)c1 ZINC000045497150 563134533 /nfs/dbraw/zinc/13/45/33/563134533.db2.gz JKOBWUWROYUXHH-UHFFFAOYSA-N 0 0 437.400 5.490 1 0 IKAFRN O=c1c2cc(O)ccc2oc(Cc2ccc(O)cc2)c1Cc1ccc(-c2ccccc2)cc1 ZINC000045506298 563134924 /nfs/dbraw/zinc/13/49/24/563134924.db2.gz CUMJVSVAGJNSJD-UHFFFAOYSA-N 0 0 434.491 6.053 1 0 IKAFRN CCCCC/C=C\CC[C@@H](O)CCCCCCCc1nnc(Nc2ccccc2)s1 ZINC000048999868 563135212 /nfs/dbraw/zinc/13/52/12/563135212.db2.gz TYNMPXAJDGQJST-RNPAOAGASA-N 0 0 429.674 7.442 1 0 IKAFRN O=c1c(Br)c(NCc2ccc(F)cc2)cnn1-c1c(Cl)cccc1Cl ZINC000049071071 563137823 /nfs/dbraw/zinc/13/78/23/563137823.db2.gz AVQIARPARTYDQV-UHFFFAOYSA-N 0 0 443.103 5.053 1 0 IKAFRN O=C(Nc1cccc(-c2ccnc3c(-c4ccoc4)cnn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049034529 563136117 /nfs/dbraw/zinc/13/61/17/563136117.db2.gz YFBUXFYIKJBRER-UHFFFAOYSA-N 0 0 448.404 5.927 1 0 IKAFRN C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)c3ccccc32)CCN1C(=O)c1ccccc1 ZINC000049036122 563136354 /nfs/dbraw/zinc/13/63/54/563136354.db2.gz RPTGIXNGRCNLKP-SFHVURJKSA-N 0 0 442.950 5.301 1 0 IKAFRN CCCCN1C(c2ccccc2)=Cc2nc3ccccc3cc2[C@@H]1C(Cl)(Cl)Cl ZINC000049036619 563136449 /nfs/dbraw/zinc/13/64/49/563136449.db2.gz SKGVIOJNVQNKAH-JOCHJYFZSA-N 0 0 431.794 7.260 1 0 IKAFRN CCCCN1C(c2ccccc2)=Cc2nc3ccccc3cc2[C@H]1C(Cl)(Cl)Cl ZINC000049036617 563136486 /nfs/dbraw/zinc/13/64/86/563136486.db2.gz SKGVIOJNVQNKAH-QFIPXVFZSA-N 0 0 431.794 7.260 1 0 IKAFRN O=C(C1CCCCC1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2Cl)CC1 ZINC000049048041 563136685 /nfs/dbraw/zinc/13/66/85/563136685.db2.gz ZUPVKGBBKNFLPT-QHCPKHFHSA-N 0 0 431.407 5.807 1 0 IKAFRN C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(Cl)cc2)c2ccccc21 ZINC000049049720 563136757 /nfs/dbraw/zinc/13/67/57/563136757.db2.gz CHNHCRBXHMOZTQ-GOSISDBHSA-N 0 0 442.950 5.301 1 0 IKAFRN COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1-c1ccccc1 ZINC000049050615 563136880 /nfs/dbraw/zinc/13/68/80/563136880.db2.gz QQOZWRPUOVGJDS-WVXBCFDCSA-N 0 0 439.599 7.070 1 0 IKAFRN CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3nc(N)n[nH]3)cc2)n1 ZINC000049052269 563136972 /nfs/dbraw/zinc/13/69/72/563136972.db2.gz ORZHWUMVNDRVKD-UHFFFAOYSA-N 0 0 444.583 5.120 1 0 IKAFRN CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3nc[nH]n3)cc2)n1 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CC(C)OC(=O)C(C)(C)[C@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 ZINC000072117122 563163733 /nfs/dbraw/zinc/16/37/33/563163733.db2.gz ARPLVMIRPYYABB-VWLOTQADSA-N 0 0 427.548 6.347 1 0 IKAFRN CC[C@@H](c1nc2ccccc2[nH]1)N(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)on1 ZINC000072135023 563164052 /nfs/dbraw/zinc/16/40/52/563164052.db2.gz JGQILKLDYPWVHG-QHCPKHFHSA-N 0 0 437.503 5.407 3 0 IKAFRN CSCC[C@@H](C(=O)Nc1c(C)cccc1C)N(Cc1ccccc1)Cc1ccccc1 ZINC000072134110 563164053 /nfs/dbraw/zinc/16/40/53/563164053.db2.gz FFVLPFHAQBBIGQ-VWLOTQADSA-N 0 0 432.633 6.066 3 0 IKAFRN Clc1cccc(Cc2c(-c3cccc(Br)c3)nc3ccc(Cl)cn32)c1 ZINC000072134251 563164082 /nfs/dbraw/zinc/16/40/82/563164082.db2.gz AMHFNISVHIRBOL-UHFFFAOYSA-N 0 0 432.148 6.661 3 0 IKAFRN C[C@@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000072138040 563164226 /nfs/dbraw/zinc/16/42/26/563164226.db2.gz FOBRNHAHAOUMFZ-VFNWGFHPSA-N 0 0 448.371 5.707 1 0 IKAFRN C[C@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000072138039 563164303 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O=NN1[C@H](c2ccc(Cl)cc2)CC(=O)[C@@H](c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072142392 563164707 /nfs/dbraw/zinc/16/47/07/563164707.db2.gz YQNVENJYPXQQMB-MDNUFGMLSA-N 0 0 425.315 6.516 1 0 IKAFRN O=c1[nH]c2c(OC(c3ccccc3)c3ccccc3)cccc2c2cn(-c3ccccc3)nc21 ZINC000072171056 563164962 /nfs/dbraw/zinc/16/49/62/563164962.db2.gz MXBMDZPPNYLLNB-UHFFFAOYSA-N 0 0 443.506 6.035 1 0 IKAFRN Clc1ccc(Oc2c3cc(Br)ccc3[nH]c2-c2ccc(Cl)cc2)cc1 ZINC000072176052 563165502 /nfs/dbraw/zinc/16/55/02/563165502.db2.gz FSMXRCMWONQMLJ-UHFFFAOYSA-N 0 0 433.132 7.697 1 0 IKAFRN COc1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-c1sc(C)nc1C ZINC000072177244 563165962 /nfs/dbraw/zinc/16/59/62/563165962.db2.gz QVRIPQOOVMQPMR-HNNXBMFYSA-N 0 0 433.552 6.810 1 0 IKAFRN COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000072179211 563166446 /nfs/dbraw/zinc/16/64/46/563166446.db2.gz GMUJSMLTQURJDM-XMMPIXPASA-N 0 0 427.529 5.880 1 0 IKAFRN COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(O)cc3)C2)cc1 ZINC000072179210 563166477 /nfs/dbraw/zinc/16/64/77/563166477.db2.gz GMUJSMLTQURJDM-DEOSSOPVSA-N 0 0 427.529 5.880 1 0 IKAFRN CC(C)c1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072179337 563166486 /nfs/dbraw/zinc/16/64/86/563166486.db2.gz PJKLBKKRPXQLJS-UHFFFAOYSA-N 0 0 441.535 5.820 1 0 IKAFRN CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000072179647 563166580 /nfs/dbraw/zinc/16/65/80/563166580.db2.gz YJQCTVLHCNIJAL-LJQANCHMSA-N 0 0 439.346 5.668 1 0 IKAFRN CC[C@@H](C)[C@H](NCc1ccc(C)cc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072180198 563166763 /nfs/dbraw/zinc/16/67/63/563166763.db2.gz RVZGSHOSWHWPMO-GJZUVCINSA-N 0 0 431.624 6.441 1 0 IKAFRN COc1ccc2c(c1)oc(-c1ccc(O)cc1)c2C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000072180137 563166767 /nfs/dbraw/zinc/16/67/67/563166767.db2.gz SLDDFPRQAVJYIJ-UHFFFAOYSA-N 0 0 434.444 5.071 1 0 IKAFRN CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000072181187 563167133 /nfs/dbraw/zinc/16/71/33/563167133.db2.gz BTCYAFMLBKOHPQ-OAQYLSRUSA-N 0 0 438.358 6.273 1 0 IKAFRN COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@H](c3ccccc3)[C@@H]1C2 ZINC000072181860 563167348 /nfs/dbraw/zinc/16/73/48/563167348.db2.gz ROIQELCFETWEND-QFQXNSOFSA-N 0 0 441.531 5.486 1 0 IKAFRN CCOc1ccccc1-c1nc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)co1 ZINC000072182481 563167396 /nfs/dbraw/zinc/16/73/96/563167396.db2.gz XUILJGPEXICTSJ-UHFFFAOYSA-N 0 0 431.458 5.081 1 0 IKAFRN FC(F)(F)Oc1ccccc1CNCc1coc(-c2ccccc2Br)n1 ZINC000072182925 563167499 /nfs/dbraw/zinc/16/74/99/563167499.db2.gz BOHKHOZGPDZDJK-UHFFFAOYSA-N 0 0 427.220 5.293 1 0 IKAFRN CCCc1cc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cs2)ccn1 ZINC000072182506 563167501 /nfs/dbraw/zinc/16/75/01/563167501.db2.gz PSIIDDOTVGEEHU-UHFFFAOYSA-N 0 0 449.601 5.934 1 0 IKAFRN CO[C@]12C[C@@H](O)CC[C@]1(C)[C@H]1CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@@H]1C[C@H]2O ZINC000072184017 563167791 /nfs/dbraw/zinc/16/77/91/563167791.db2.gz MATSKTCJBVHZDF-VJENCBHGSA-N 0 0 434.705 6.208 1 0 IKAFRN Cc1cccc(N2CCN(Cc3coc(-c4ccc(Br)cc4)n3)C[C@@H]2C)c1 ZINC000072184848 563167861 /nfs/dbraw/zinc/16/78/61/563167861.db2.gz VCYBUJMHPNIMKW-KRWDZBQOSA-N 0 0 426.358 5.123 1 0 IKAFRN Cc1ccc(CN[C@H](c2nc(-c3ccccc3)c(N3CCCCC3)o2)c2ccccc2)cc1 ZINC000072184988 563167984 /nfs/dbraw/zinc/16/79/84/563167984.db2.gz RNZRZPOQZHBBFJ-SANMLTNESA-N 0 0 437.587 6.520 1 0 IKAFRN COc1cc2c(cc1OC)[C@@H](C(C)C)N(Cc1coc(-c3ccccc3Cl)n1)CC2 ZINC000072185586 563168098 /nfs/dbraw/zinc/16/80/98/563168098.db2.gz NQGUSAYRANBZAO-HSZRJFAPSA-N 0 0 426.944 5.768 1 0 IKAFRN CC(C)(C)OC(=O)N1CCC(CN(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072185948 563168202 /nfs/dbraw/zinc/16/82/02/563168202.db2.gz AWHMOPGNILDLFJ-UHFFFAOYSA-N 0 0 435.490 5.886 1 0 IKAFRN O=C(Cc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1)Nc1ccccc1 ZINC000072315518 563168379 /nfs/dbraw/zinc/16/83/79/563168379.db2.gz YXYQLNOCZAJRBA-UHFFFAOYSA-N 0 0 426.501 5.118 1 0 IKAFRN CCc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1 ZINC000073129542 563168604 /nfs/dbraw/zinc/16/86/04/563168604.db2.gz QKUHMOGTXTVVHA-UHFFFAOYSA-N 0 0 431.367 5.595 1 0 IKAFRN O=C(c1ccccc1)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccc(F)cc1 ZINC000073129984 563168649 /nfs/dbraw/zinc/16/86/49/563168649.db2.gz PKJXVBZQRZMDIA-QHCPKHFHSA-N 0 0 438.502 5.642 1 0 IKAFRN O=C(c1ccccc1)[C@H](c1c2ccccc2[nH]c1-c1ccccc1)[C@H]1C(=O)Nc2ccccc21 ZINC000073139231 563168812 /nfs/dbraw/zinc/16/88/12/563168812.db2.gz QORHHAPWEMINMT-RRPNLBNLSA-N 0 0 442.518 6.537 1 0 IKAFRN Cc1ccccc1-c1ccc2c(n1)Oc1ccccc1[C@@H]2C(C)(C)C(=O)Nc1nncs1 ZINC000073141114 563168973 /nfs/dbraw/zinc/16/89/73/563168973.db2.gz YZDBRIHVGIDKMR-NRFANRHFSA-N 0 0 442.544 5.811 1 0 IKAFRN CCc1cccc2[nH]c(C[C@](O)(CC(C)(C)c3cc(F)ccc3OC)C(F)(F)F)cc21 ZINC000073141379 563169046 /nfs/dbraw/zinc/16/90/46/563169046.db2.gz VDCNLLFWCBGVMM-QHCPKHFHSA-N 0 0 437.477 6.082 1 0 IKAFRN O=c1cc(OCc2ccc(Cl)cc2)oc2ccc(OCc3cccc(Cl)c3)c(O)c12 ZINC000073161919 563169462 /nfs/dbraw/zinc/16/94/62/563169462.db2.gz QYMRRLZVOWZZMJ-UHFFFAOYSA-N 0 0 443.282 5.963 1 0 IKAFRN FCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc(C(F)(F)F)cn3)cc2)n1 ZINC000073164092 563169570 /nfs/dbraw/zinc/16/95/70/563169570.db2.gz KOIGJEKJDZLWRT-UHFFFAOYSA-N 0 0 442.416 5.574 1 0 IKAFRN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N(c1ccccc1)c1ccccc1 ZINC000073163672 563169572 /nfs/dbraw/zinc/16/95/72/563169572.db2.gz DBKKWZIPXQTQKY-UHFFFAOYSA-N 0 0 439.481 5.192 1 0 IKAFRN CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCOC(CO)CO)c1 ZINC000073164050 563169630 /nfs/dbraw/zinc/16/96/30/563169630.db2.gz JCJPUCGVJHINQD-UHFFFAOYSA-N 0 0 438.649 5.729 1 0 IKAFRN COc1ccc(Nc2nc(Nc3ccc(C(F)(F)F)cc3)cc(N3CCCCC3)n2)cc1 ZINC000073166824 563169697 /nfs/dbraw/zinc/16/96/97/563169697.db2.gz XOCFIFXIAATAOT-UHFFFAOYSA-N 0 0 443.473 5.982 1 0 IKAFRN O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@H](O)Cn1ccc2ccccc21 ZINC000073167080 563169701 /nfs/dbraw/zinc/16/97/01/563169701.db2.gz JVESFPJKBOQAPT-JOCHJYFZSA-N 0 0 435.470 5.175 1 0 IKAFRN COc1cc(Nc2nc(C(C)(C)c3ccc(Cl)cc3)cs2)ccc1-n1cnc(C)c1 ZINC000073169292 563169771 /nfs/dbraw/zinc/16/97/71/563169771.db2.gz BLBGLDVPNBJPGY-UHFFFAOYSA-N 0 0 438.984 6.369 1 0 IKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(Cl)c1 ZINC000073198311 563170018 /nfs/dbraw/zinc/17/00/18/563170018.db2.gz MNPGVUQHWWFPGC-DJCPXJLLSA-N 0 0 446.012 5.249 1 0 IKAFRN O=C(O[C@H](Cn1ccnc1)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000073198570 563170074 /nfs/dbraw/zinc/17/00/74/563170074.db2.gz FTGIKYUPZVKOCF-QGZVFWFLSA-N 0 0 428.332 5.519 1 0 IKAFRN O=C(c1cc2ccccc2[nH]1)c1cc2c(ncnc2Nc2ccc(C(F)(F)F)cc2)s1 ZINC000073199762 563170255 /nfs/dbraw/zinc/17/02/55/563170255.db2.gz XYXYTCAMNSWEAW-UHFFFAOYSA-N 0 0 438.434 6.166 1 0 IKAFRN Nc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[nH]c(=S)n2)cc1 ZINC000073223073 563170769 /nfs/dbraw/zinc/17/07/69/563170769.db2.gz HNHRNRGQMOJEQX-UHFFFAOYSA-N 0 0 439.519 6.047 1 0 IKAFRN Cc1ccc(N2C(=O)N[C@]3(C[C@@H]3c3ccc4cccc(OCc5ccccc5)c4n3)C2=O)cc1 ZINC000073223967 563170966 /nfs/dbraw/zinc/17/09/66/563170966.db2.gz NPCQHJQRDWTTJC-DFHRPNOPSA-N 0 0 449.510 5.105 1 0 IKAFRN Cc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2Cc2cccc(Cl)c2)cc1 ZINC000073243001 563171406 /nfs/dbraw/zinc/17/14/06/563171406.db2.gz RWUVMZWYLCAACK-UHFFFAOYSA-N 0 0 439.784 6.933 3 0 IKAFRN CC(C)=CC/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000073240652 563171335 /nfs/dbraw/zinc/17/13/35/563171335.db2.gz OURRZLJECNEIMI-PHSJGONNSA-N 0 0 442.728 7.306 1 0 IKAFRN C[C@H]1CCCCN1C(=O)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073257747 563171383 /nfs/dbraw/zinc/17/13/83/563171383.db2.gz RAXGEMNHDSGMEN-YWZLYKJASA-N 0 0 434.367 5.173 1 0 IKAFRN FC(F)(F)Oc1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1 ZINC000073257757 563171386 /nfs/dbraw/zinc/17/13/86/563171386.db2.gz ZNTINAHINVPNAT-UHFFFAOYSA-N 0 0 430.429 7.463 1 0 IKAFRN C[C@@H]1CCCCN1C(=O)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073257748 563171432 /nfs/dbraw/zinc/17/14/32/563171432.db2.gz RAXGEMNHDSGMEN-FOIQADDNSA-N 0 0 434.367 5.173 1 0 IKAFRN Oc1cccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)cc3)nc21 ZINC000073258547 563171457 /nfs/dbraw/zinc/17/14/57/563171457.db2.gz LOIPQNIEQRLUBO-UHFFFAOYSA-N 0 0 446.428 7.168 1 0 IKAFRN Cc1ccc(Oc2ccc(-c3nc(-c4csc(C[NH+]5CC(C(=O)[O-])C5)c4)no3)cc2)cc1 ZINC000073258537 563171526 /nfs/dbraw/zinc/17/15/26/563171526.db2.gz YXNTWLJNIOAUDP-UHFFFAOYSA-N 0 0 447.516 5.082 1 0 IKAFRN O=C(N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1)N1CCCCCC1 ZINC000073279847 563171823 /nfs/dbraw/zinc/17/18/23/563171823.db2.gz BJYXXCKPEXLTTG-FQEVSTJZSA-N 0 0 434.367 5.175 1 0 IKAFRN CN(C(=O)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1)c1ccccc1 ZINC000073292814 563171894 /nfs/dbraw/zinc/17/18/94/563171894.db2.gz GPUDKIUSSXZVNS-NRFANRHFSA-N 0 0 442.346 5.435 1 0 IKAFRN CC1(C)C=C2[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@H](O)C[C@H](O)[C@@]54C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000073295178 563172089 /nfs/dbraw/zinc/17/20/89/563172089.db2.gz KDVPRLJVCKYSQH-VTNDHLKMSA-N 0 0 442.728 7.140 1 0 IKAFRN Cc1ccc(N[C@@](C)(c2cccnc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000073313879 563172357 /nfs/dbraw/zinc/17/23/57/563172357.db2.gz JXXTYWXELQBCNF-AREMUKBSSA-N 0 0 444.471 7.026 1 0 IKAFRN COc1ccc2cc(CCC(=O)C[C@@H](Nc3cc(C)on3)c3ccc(Cl)cc3)ccc2c1 ZINC000073315204 563172408 /nfs/dbraw/zinc/17/24/08/563172408.db2.gz JWNINJJVWPEXOI-RUZDIDTESA-N 0 0 448.950 6.543 1 0 IKAFRN CCn1ccc2ccc(Oc3c(Cl)cnn(Cc4cccc5ccccc54)c3=O)cc21 ZINC000073332821 563172515 /nfs/dbraw/zinc/17/25/15/563172515.db2.gz SVYAVWJKKYNESM-UHFFFAOYSA-N 0 0 429.907 5.865 1 0 IKAFRN c1ccc2[nH]c(-c3ccc(OCCOc4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc2c1 ZINC000073385949 563172648 /nfs/dbraw/zinc/17/26/48/563172648.db2.gz ZOMQUWAPCPLRII-UHFFFAOYSA-N 0 0 446.510 6.231 1 0 IKAFRN Clc1cccc(Nc2ncnc3ccc(NCc4ccc(Br)cc4)cc32)c1 ZINC000082149533 563172975 /nfs/dbraw/zinc/17/29/75/563172975.db2.gz RZNCBIIAICOMLS-UHFFFAOYSA-N 0 0 439.744 6.401 1 0 IKAFRN Oc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[nH]c(=S)n2)cc1 ZINC000082157557 563173771 /nfs/dbraw/zinc/17/37/71/563173771.db2.gz LCGSOQJJNYHVSS-UHFFFAOYSA-N 0 0 440.503 6.171 1 0 IKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3csc4c3c(N)ncc4-c3cc[nH]n3)cc2)c1 ZINC000084597004 563174144 /nfs/dbraw/zinc/17/41/44/563174144.db2.gz PQYSCCATMNNHGY-UHFFFAOYSA-N 0 0 440.532 5.888 1 0 IKAFRN CC(C)CC(=O)c1c(O)c2c(Cl)ccc(Cl)c2nc1Nc1cc(F)ccc1F ZINC000084605172 563174257 /nfs/dbraw/zinc/17/42/57/563174257.db2.gz XIYUAOONUOYILI-UHFFFAOYSA-N 0 0 425.262 6.498 1 0 IKAFRN CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2C3=C[C@](C)(CO)CC[C@]3(C)CC[C@]21C ZINC000084617582 563174509 /nfs/dbraw/zinc/17/45/09/563174509.db2.gz YMNLXMXTZKUAJB-RLLULNRHSA-N 0 0 440.712 7.350 1 0 IKAFRN CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4C5=C[C@](C)(CO)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000084636048 563174759 /nfs/dbraw/zinc/17/47/59/563174759.db2.gz SPDBQPBUXQGJTI-LRFPMJRFSA-N 0 0 442.728 7.141 1 0 IKAFRN COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2cc3sc4c(c3cc2c1=O)CCCC4 ZINC000084652109 563174886 /nfs/dbraw/zinc/17/48/86/563174886.db2.gz AFARAHQKOMTDGL-UHFFFAOYSA-N 0 0 427.529 5.203 1 0 IKAFRN O=C(Nc1cccc(Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1)c1cccc(F)c1 ZINC000084652072 563174930 /nfs/dbraw/zinc/17/49/30/563174930.db2.gz MQLKLLSAHSJLFZ-UCQKPKSFSA-N 0 0 438.462 5.642 1 0 IKAFRN CCCc1c(C(=O)NCCOc2ccccc2)cnc2c(-c3ccc(C(C)C)cc3)cnn21 ZINC000084670062 563175135 /nfs/dbraw/zinc/17/51/35/563175135.db2.gz RPOZVKCHMLFKEL-UHFFFAOYSA-N 0 0 442.563 5.281 1 0 IKAFRN COc1cc(COC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc(OC)c1OC ZINC000084670778 563175227 /nfs/dbraw/zinc/17/52/27/563175227.db2.gz HOVKCNXSFFJEQX-UHFFFAOYSA-N 0 0 436.382 5.348 1 0 IKAFRN O=C(NC[C@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc21 ZINC000084670693 563175229 /nfs/dbraw/zinc/17/52/29/563175229.db2.gz WAKGEROYRUJRJS-HSZRJFAPSA-N 0 0 449.554 5.327 1 0 IKAFRN CC1=C(CC(=O)NCCC(C)C)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000084672565 563175639 /nfs/dbraw/zinc/17/56/39/563175639.db2.gz NIGLJRGCMWRJOQ-AEYCSFQUSA-N 0 0 425.569 5.443 1 0 IKAFRN Cn1cc([C@@H]2N(c3ccccc3)C(=O)C2(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000084687523 563175751 /nfs/dbraw/zinc/17/57/51/563175751.db2.gz YEFOHEJJPKMHOO-NDEPHWFRSA-N 0 0 428.535 6.253 1 0 IKAFRN Fc1ccc(-n2cc(COc3ccccc3-c3nc4ccccc4s3)nn2)cc1Cl ZINC000084687816 563175886 /nfs/dbraw/zinc/17/58/86/563175886.db2.gz ORNFBMBHTOSODX-UHFFFAOYSA-N 0 0 436.899 5.916 1 0 IKAFRN Cc1cccc(-c2nc(NCc3cccc(C)c3C)sc2-c2ccc3ncnn3c2)n1 ZINC000084690650 563176446 /nfs/dbraw/zinc/17/64/46/563176446.db2.gz VMAJWCRBVRIZQR-UHFFFAOYSA-N 0 0 426.549 5.452 1 0 IKAFRN NS(=O)(=O)c1ccc2[nH]c(Cc3ccc(Cl)cc3)c(Cc3ccc(Cl)cc3)c2c1 ZINC000084705196 563176718 /nfs/dbraw/zinc/17/67/18/563176718.db2.gz HWYQVWLPCLYZAK-UHFFFAOYSA-N 0 0 445.371 5.304 1 0 IKAFRN COc1ccc(C2=NN(C(=O)c3ccc(C)nc3Cl)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000084705456 563176814 /nfs/dbraw/zinc/17/68/14/563176814.db2.gz NOAPANNJSDUOAY-NRFANRHFSA-N 0 0 440.330 5.697 1 0 IKAFRN COC(=O)N[C@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 ZINC000084707029 563177002 /nfs/dbraw/zinc/17/70/02/563177002.db2.gz WITLAKUTNJGTNP-INIZCTEOSA-N 0 0 432.307 5.416 1 0 IKAFRN [NH3+][C@@H](CSC(Cc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000084709929 563177245 /nfs/dbraw/zinc/17/72/45/563177245.db2.gz NBHXFMHRNJOFPO-NRFANRHFSA-N 0 0 446.399 5.625 1 0 IKAFRN COc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(Br)cc2)cc1 ZINC000084711300 563177441 /nfs/dbraw/zinc/17/74/41/563177441.db2.gz QZVVDOSLNRIFFF-UHFFFAOYSA-N 0 0 434.337 5.923 1 0 IKAFRN O=C(c1ccc(Cl)nc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000084712696 563177645 /nfs/dbraw/zinc/17/76/45/563177645.db2.gz ZLZPBIXQDDYNJM-IBGZPJMESA-N 0 0 430.722 6.033 1 0 IKAFRN O=C(c1cccnc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000084714751 563177899 /nfs/dbraw/zinc/17/78/99/563177899.db2.gz SRSFCHZGLULSSU-LJQANCHMSA-N 0 0 430.722 6.033 1 0 IKAFRN CCOC(=O)C/C=C/C1=CO[C@]23CC[C@H]1[C@@]2(C)CC[C@H]1[C@H]3CC[C@@H]2C[C@@H](O)CC[C@@]21C ZINC000084713934 563177905 /nfs/dbraw/zinc/17/79/05/563177905.db2.gz XEGPGPDSYWFKIS-FZVSWKBDSA-N 0 0 428.613 5.552 1 0 IKAFRN Cc1c(C(=O)NCCOc2ccccc2)cnc2c(-c3ccc(-c4ccccc4)cc3)cnn21 ZINC000084714807 563177916 /nfs/dbraw/zinc/17/79/16/563177916.db2.gz YXTQEXRPZMIMFZ-UHFFFAOYSA-N 0 0 448.526 5.181 1 0 IKAFRN CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)cc3Cl)c2)cc1 ZINC000084723060 563177996 /nfs/dbraw/zinc/17/79/96/563177996.db2.gz NRSYMHKUTBGODJ-UHFFFAOYSA-N 0 0 426.847 5.074 1 0 IKAFRN CS(=O)(=O)c1ccc2c(c1)c(Cc1ccc(Cl)cc1)cn2/C=C\CC(F)(F)F ZINC000084730074 563178444 /nfs/dbraw/zinc/17/84/44/563178444.db2.gz DURNVMPOVAXRRM-SGAXSIHGSA-N 0 0 427.875 5.712 1 0 IKAFRN COc1cccc2[nH]c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)c(C)c(=O)c21 ZINC000084733716 563178768 /nfs/dbraw/zinc/17/87/68/563178768.db2.gz VWTKWUSONRRGMG-UHFFFAOYSA-N 0 0 426.394 5.473 1 0 IKAFRN CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccco3)ccc21 ZINC000084740412 563178989 /nfs/dbraw/zinc/17/89/89/563178989.db2.gz XTCGEWLVNDEZQH-UHFFFAOYSA-N 0 0 444.619 6.719 1 0 IKAFRN Cc1cccc(-c2nc(NCc3cc(F)cc(F)c3)sc2-c2ccc3ncnn3c2)n1 ZINC000084740655 563179039 /nfs/dbraw/zinc/17/90/39/563179039.db2.gz VBECRVQGKLDJIE-UHFFFAOYSA-N 0 0 434.475 5.114 1 0 IKAFRN Cc1cccc(-c2nc(NCc3cccc(F)c3F)sc2-c2ccc3ncnn3c2)n1 ZINC000084742611 563179284 /nfs/dbraw/zinc/17/92/84/563179284.db2.gz NLIQPLLQHGVUIO-UHFFFAOYSA-N 0 0 434.475 5.114 1 0 IKAFRN Clc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccco3)C2)cc1Cl ZINC000084757475 563179422 /nfs/dbraw/zinc/17/94/22/563179422.db2.gz PXKCOBDPSCOXKR-HXUWFJFHSA-N 0 0 440.355 7.066 1 0 IKAFRN Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c2ccccc2n1O ZINC000084757787 563179570 /nfs/dbraw/zinc/17/95/70/563179570.db2.gz OBWHPRIBLCJFBC-UHFFFAOYSA-N 0 0 425.406 5.704 1 0 IKAFRN C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000084759243 563179729 /nfs/dbraw/zinc/17/97/29/563179729.db2.gz MIKNZGDJNUIZNI-LJQANCHMSA-N 0 0 431.564 7.589 1 0 IKAFRN O=C(Nc1ccc(F)cc1)N1CCc2c(F)cccc2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000084759618 563179873 /nfs/dbraw/zinc/17/98/73/563179873.db2.gz UBONJMYZAHEINW-NRFANRHFSA-N 0 0 432.392 6.163 1 0 IKAFRN COc1cc(Cn2c3ccc(C)cc3nc2-c2cccc3ccccc32)cc(OC)c1OC ZINC000095554327 563181095 /nfs/dbraw/zinc/18/10/95/563181095.db2.gz SUKRJYJSKIFFNV-UHFFFAOYSA-N 0 0 438.527 6.239 1 0 IKAFRN CCOC(=O)c1c(O)c2cc(OC)c(Cl)cc2nc1-c1cccc(Oc2ccccc2)c1 ZINC000095553752 563181140 /nfs/dbraw/zinc/18/11/40/563181140.db2.gz IIVYGYBLBWVHEY-UHFFFAOYSA-N 0 0 449.890 5.826 1 0 IKAFRN O=C(Nc1cc(Cl)cc2c3cc(NCc4ccccc4)ncc3[nH]c21)c1ccccc1 ZINC000095555968 563181479 /nfs/dbraw/zinc/18/14/79/563181479.db2.gz HEDCDPVDIRYICE-UHFFFAOYSA-N 0 0 426.907 6.234 1 0 IKAFRN Cc1cc2c(cc1Cl)N(C(=O)Nc1cc(OC(F)(F)F)cc(-c3cccnc3)c1)CC2 ZINC000095555987 563181483 /nfs/dbraw/zinc/18/14/83/563181483.db2.gz YHFPWRKTZBSLOF-UHFFFAOYSA-N 0 0 447.844 6.204 1 0 IKAFRN CCC[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6C[C@@](C)(C4)C[C@](C)(C6)C5)cn1c23 ZINC000095556480 563181558 /nfs/dbraw/zinc/18/15/58/563181558.db2.gz BKTJKWJUVAXLAS-VRZNJTSCSA-N 0 0 434.580 5.214 1 0 IKAFRN CCOC(=O)c1c(O)c2cc(OC)c(OC)cc2nc1-c1cccc(Oc2ccccc2)c1 ZINC000095557774 563181702 /nfs/dbraw/zinc/18/17/02/563181702.db2.gz RQDWAPBYOQOVPZ-UHFFFAOYSA-N 0 0 445.471 5.181 1 0 IKAFRN C[C@H]1SC2(CCC(c3ccccc3)CC2)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000095558642 563181769 /nfs/dbraw/zinc/18/17/69/563181769.db2.gz COHNHEZZNRSRPI-PQBXRSHFSA-N 0 0 438.637 5.252 1 0 IKAFRN COc1ccc2c(c1)S[C@H](c1ccc(C)cc1)[C@H]1C(=N2)c2ccccc2[C@H]1c1ccccc1 ZINC000095559109 563181876 /nfs/dbraw/zinc/18/18/76/563181876.db2.gz QQCQXWDRASCDFH-MUPNOLHXSA-N 0 0 447.603 7.733 1 0 IKAFRN COc1cc(-c2nc(N(C)C)sc2-c2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000095559569 563181964 /nfs/dbraw/zinc/18/19/64/563181964.db2.gz MHHDDROJDQRPQW-UHFFFAOYSA-N 0 0 438.471 5.588 1 0 IKAFRN COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@@H](c4ccccc4)[C@H]32)cc1 ZINC000095559944 563182085 /nfs/dbraw/zinc/18/20/85/563182085.db2.gz LBQYCOIUNJRZJW-QQJNOOCOSA-N 0 0 433.576 7.425 1 0 IKAFRN O=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccccc1Br ZINC000095559977 563182091 /nfs/dbraw/zinc/18/20/91/563182091.db2.gz LELCCVNTEDYNMW-UHFFFAOYSA-N 0 0 434.746 5.290 1 0 IKAFRN Clc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4[C@H](c4ccccc4)[C@@H]32)cc1 ZINC000095560605 563182257 /nfs/dbraw/zinc/18/22/57/563182257.db2.gz BPABMQIDRHBFFE-NSVAZKTRSA-N 0 0 437.995 8.070 1 0 IKAFRN Cc1ccc2sc(NC(=O)CSc3nccnc3-c3ccccc3Cl)nc2c1 ZINC000095561468 563182423 /nfs/dbraw/zinc/18/24/23/563182423.db2.gz PPWLAMMCISQETO-UHFFFAOYSA-N 0 0 426.954 5.446 1 0 IKAFRN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3nc4c(c(N)c32)CCCC4)c(OC)c1 ZINC000095561505 563182448 /nfs/dbraw/zinc/18/24/48/563182448.db2.gz WVOGNNUVYUMTIT-DEOSSOPVSA-N 0 0 438.527 5.999 1 0 IKAFRN C[C@@H](O)C1CCN(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1 ZINC000095561828 563182482 /nfs/dbraw/zinc/18/24/82/563182482.db2.gz GNWKATFENPQMIQ-MRXNPFEDSA-N 0 0 447.564 5.219 1 0 IKAFRN Cc1csc(-c2[nH]c(CNC(=O)OCC(C)C)nc2-c2ccc3ncsc3c2)n1 ZINC000095562281 563182562 /nfs/dbraw/zinc/18/25/62/563182562.db2.gz FMPROYAQAQOEAE-UHFFFAOYSA-N 0 0 427.555 5.001 1 0 IKAFRN CCCCc1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1-c1ccc(O)cc1 ZINC000095563138 563182821 /nfs/dbraw/zinc/18/28/21/563182821.db2.gz DNVZSCSOTFWBGY-UHFFFAOYSA-N 0 0 435.976 7.971 1 0 IKAFRN O=C1CN(CC2CCCCC2)C(=O)c2ccccc2N1Cc1ccccc1-c1ccccc1 ZINC000095563171 563182834 /nfs/dbraw/zinc/18/28/34/563182834.db2.gz BLZNKJWWXGYPGM-UHFFFAOYSA-N 0 0 438.571 5.923 1 0 IKAFRN COc1ccc(N(CCCO)C(=O)N[C@@H](C)c2ccccc2)cc1OCCCC(C)C ZINC000095563766 563182984 /nfs/dbraw/zinc/18/29/84/563182984.db2.gz IJWKXHIULJEVLC-FQEVSTJZSA-N 0 0 428.573 5.170 1 0 IKAFRN Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)c1ccccc1 ZINC000095563679 563183001 /nfs/dbraw/zinc/18/30/01/563183001.db2.gz YXGARUPGVRYFDM-UHFFFAOYSA-N 0 0 432.829 6.172 1 0 IKAFRN Cc1cn(-c2ccc(Oc3ccc(/C=C4\C(=O)Nc5ccc(Cl)cc54)cc3)cc2)cn1 ZINC000095563978 563183086 /nfs/dbraw/zinc/18/30/86/563183086.db2.gz QWDBKQQUJUFCHM-FMCGGJTJSA-N 0 0 427.891 6.119 1 0 IKAFRN COc1cccc(-c2c(-c3ccccc3OC)ncn2Cc2cccc(-c3ccccc3)c2)c1 ZINC000095565771 563183323 /nfs/dbraw/zinc/18/33/23/563183323.db2.gz CCMOPVJWVWFTCS-UHFFFAOYSA-N 0 0 446.550 6.950 3 0 IKAFRN Cc1cc2nc(-c3ccc(Cl)cc3)c(Cc3ccsc3)n2c(C)c1Br ZINC000095567630 563183741 /nfs/dbraw/zinc/18/37/41/563183741.db2.gz YMMHLDWXAZEHBO-UHFFFAOYSA-N 0 0 431.786 6.686 3 0 IKAFRN COc1cccc(CCOC(=O)c2c(-c3ccsc3)oc3c2[C@H](OC(C)=O)CCC3)c1 ZINC000095568379 563183914 /nfs/dbraw/zinc/18/39/14/563183914.db2.gz JWIGBYCKFWPEGL-LJQANCHMSA-N 0 0 440.517 5.357 3 0 IKAFRN FC(F)(F)c1cc(Cl)c2nc(-c3ccc(Cl)cc3)c(Cc3ccsc3)n2c1 ZINC000095568641 563183917 /nfs/dbraw/zinc/18/39/17/563183917.db2.gz HZYHQWMWXAEWPD-UHFFFAOYSA-N 0 0 427.278 6.979 3 0 IKAFRN CC(C)(C)C(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1cc2ccccc2nc1Cl ZINC000095568921 563183987 /nfs/dbraw/zinc/18/39/87/563183987.db2.gz NFYKAYOMGYUMEG-UHFFFAOYSA-N 0 0 431.923 5.925 3 0 IKAFRN O=C(NC1CCCC1)[C@H](c1ccccc1)n1c(Cc2cc(F)cc(F)c2)nc2ccccc21 ZINC000095569419 563184095 /nfs/dbraw/zinc/18/40/95/563184095.db2.gz QRXVJQZKRHOLJE-SANMLTNESA-N 0 0 445.513 5.554 3 0 IKAFRN O=c1c(-c2ccco2)nc2ccccc2n1[C@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000095569480 563184097 /nfs/dbraw/zinc/18/40/97/563184097.db2.gz QJUVNEIKCHYRNS-XMMPIXPASA-N 0 0 446.510 5.755 3 0 IKAFRN O=C(c1ccc(-c2ccccc2)cc1)N1c2ccccc2NC(=O)[C@H]1c1nc2ccccc2[nH]1 ZINC000095570091 563184257 /nfs/dbraw/zinc/18/42/57/563184257.db2.gz NJRIOUJRZVPDRI-RUZDIDTESA-N 0 0 444.494 5.570 3 0 IKAFRN Cc1ccc(OCc2nc3ccccc3n2[C@@H](C(=O)Nc2c(C)cccc2C)C2CC2)cc1 ZINC000095569880 563184267 /nfs/dbraw/zinc/18/42/67/563184267.db2.gz XHYCTATYQXYNEV-HHHXNRCGSA-N 0 0 439.559 6.130 3 0 IKAFRN O=C1CC[C@@H](OCc2ccccc2)CCN1[C@H](CSc1ccccc1)Cc1ccccc1 ZINC000095569893 563184270 /nfs/dbraw/zinc/18/42/70/563184270.db2.gz ALKJYODMHPFGDB-IZZNHLLZSA-N 0 0 445.628 5.988 3 0 IKAFRN COc1ccc(N2C(c3cc(OC)cc(OC)c3)=Cc3ccccc3[C@H]2CC(C)=O)cc1 ZINC000095570589 563184316 /nfs/dbraw/zinc/18/43/16/563184316.db2.gz SCCJIXAPPLEMOE-HHHXNRCGSA-N 0 0 429.516 5.751 3 0 IKAFRN COc1ccc(Cc2c(-c3ccc(F)cc3)nc3ccc(Br)cn32)c(C)c1 ZINC000095571027 563184426 /nfs/dbraw/zinc/18/44/26/563184426.db2.gz WDBCDGGXUQRJCW-UHFFFAOYSA-N 0 0 425.301 5.811 3 0 IKAFRN Cc1cnc(-c2nc3ccccc3n2[C@@H](C(=O)NC(C)(C)C)c2cc3ccccc3o2)cn1 ZINC000095571270 563184485 /nfs/dbraw/zinc/18/44/85/563184485.db2.gz RTVKKGHLLNBMBX-HSZRJFAPSA-N 0 0 439.519 5.052 3 0 IKAFRN Fc1ccc(-c2ccc(-c3nnc(CCCc4ccc5cccnc5n4)o3)cc2)cc1Cl ZINC000095572400 563184749 /nfs/dbraw/zinc/18/47/49/563184749.db2.gz FNQGVMZOLBAJFA-UHFFFAOYSA-N 0 0 444.897 6.315 1 0 IKAFRN Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)(C)C ZINC000095572777 563184846 /nfs/dbraw/zinc/18/48/46/563184846.db2.gz JDINXGAGMZNXJB-QFIPXVFZSA-N 0 0 426.988 5.199 1 0 IKAFRN COc1ccc(C2=NN(C(=O)c3cc(Cl)ccc3O)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000095572627 563184896 /nfs/dbraw/zinc/18/48/96/563184896.db2.gz DSWQRQCPUFAYJK-QFIPXVFZSA-N 0 0 436.895 5.054 1 0 IKAFRN Cc1ccccc1NC(=O)Oc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1Cl ZINC000095573147 563184926 /nfs/dbraw/zinc/18/49/26/563184926.db2.gz LVNPUHLTOHVCKK-UHFFFAOYSA-N 0 0 441.358 6.866 1 0 IKAFRN O=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000095573617 563185146 /nfs/dbraw/zinc/18/51/46/563185146.db2.gz VDJXCHYCBZSTRL-UHFFFAOYSA-N 0 0 433.914 5.728 1 0 IKAFRN N=C1Sc2cc(-c3ccc4[nH]cc(C(=O)C(F)(F)F)c4c3)ccc2C2=NCCCN12 ZINC000095574324 563185237 /nfs/dbraw/zinc/18/52/37/563185237.db2.gz JPHDEQFANJSRDC-UHFFFAOYSA-N 0 0 428.439 5.073 1 0 IKAFRN C[C@H](NC(=O)CCCc1ccc2cccnc2n1)c1ccc(-c2cccc(Cl)c2)cc1 ZINC000095574216 563185270 /nfs/dbraw/zinc/18/52/70/563185270.db2.gz SVOWEHYOENAPDL-SFHVURJKSA-N 0 0 429.951 6.150 1 0 IKAFRN Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc4[nH]c(-c5ccccc5)cc43)[nH]2)cc1 ZINC000095574529 563185333 /nfs/dbraw/zinc/18/53/33/563185333.db2.gz HFDJAPMETZJFMI-UHFFFAOYSA-N 0 0 446.485 6.799 1 0 IKAFRN COc1ccccc1-c1nc2c(cccc2Nc2ccc(-n3cnc(C)c3)c(OC)c2)o1 ZINC000095574481 563185345 /nfs/dbraw/zinc/18/53/45/563185345.db2.gz RCSXZCSMRDNFEL-UHFFFAOYSA-N 0 0 426.476 5.750 1 0 IKAFRN CCc1cn(-c2ccc(-c3csc(Nc4ccc(N(CC)CC)cc4C)n3)cc2)cn1 ZINC000095575420 563185636 /nfs/dbraw/zinc/18/56/36/563185636.db2.gz OTVVJQWJPIYMSD-UHFFFAOYSA-N 0 0 431.609 6.456 1 0 IKAFRN CCN(Cc1ccccc1)c1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O ZINC000095576573 563185999 /nfs/dbraw/zinc/18/59/99/563185999.db2.gz AXGMMQQJNXJIBU-UHFFFAOYSA-N 0 0 432.527 5.426 1 0 IKAFRN Cc1ccc(C(=O)Nc2cccc(Nc3ccc4c(c3)OCc3ccccc3C4=O)c2)s1 ZINC000095576937 563186086 /nfs/dbraw/zinc/18/60/86/563186086.db2.gz AFBVPUMEPISRLJ-UHFFFAOYSA-N 0 0 440.524 6.176 1 0 IKAFRN CCCCCCNC(=O)Oc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1Cl ZINC000095576801 563186106 /nfs/dbraw/zinc/18/61/06/563186106.db2.gz MMQHCPQYOVXZBA-UHFFFAOYSA-N 0 0 435.395 6.615 1 0 IKAFRN CCN1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc21 ZINC000095576957 563186108 /nfs/dbraw/zinc/18/61/08/563186108.db2.gz BBXCEBZWMOSRMC-UHFFFAOYSA-N 0 0 428.319 5.667 1 0 IKAFRN Cc1c(-c2nnc(-c3ccc(Cl)cc3)o2)sc2ncnc(Nc3ccc(F)cc3)c12 ZINC000095577200 563186269 /nfs/dbraw/zinc/18/62/69/563186269.db2.gz CJONWELXLZKAKZ-UHFFFAOYSA-N 0 0 437.887 6.253 1 0 IKAFRN Fc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc3[nH]c(Cc4ccccc4)cc32)cc1 ZINC000095577933 563186480 /nfs/dbraw/zinc/18/64/80/563186480.db2.gz JGFVSMPXUUKCGZ-UHFFFAOYSA-N 0 0 444.513 7.017 1 0 IKAFRN CCCCc1cn(C[C@@H](OCc2ccc(F)cc2F)c2ccc(Cl)cc2Cl)nn1 ZINC000095578470 563186741 /nfs/dbraw/zinc/18/67/41/563186741.db2.gz IQDNQWGCNVCRRZ-OAQYLSRUSA-N 0 0 440.321 6.164 1 0 IKAFRN O=C(Nc1cc(Nc2ccc3c(c2)CCc2ccccc2C3=O)ccc1F)c1ccccc1 ZINC000095578525 563186792 /nfs/dbraw/zinc/18/67/92/563186792.db2.gz WQPSSCXLIBPYPZ-UHFFFAOYSA-N 0 0 436.486 6.151 1 0 IKAFRN CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000095579388 563186931 /nfs/dbraw/zinc/18/69/31/563186931.db2.gz ZQSCPHDJBUPVLZ-UHFFFAOYSA-N 0 0 449.620 5.474 1 0 IKAFRN CC(C)N1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc21 ZINC000095579789 563187038 /nfs/dbraw/zinc/18/70/38/563187038.db2.gz QEXKLMHUBWUPMZ-UHFFFAOYSA-N 0 0 442.346 6.056 1 0 IKAFRN CC(=O)c1ccc(SC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095579568 563187056 /nfs/dbraw/zinc/18/70/56/563187056.db2.gz SOAJSAYEVXCPBG-UHFFFAOYSA-N 0 0 446.641 5.673 1 0 IKAFRN Cc1ccccc1[C@H](C(=O)NC(C)(C)C)N(C(=O)Cc1cccs1)c1cccc(F)c1 ZINC000095580331 563187267 /nfs/dbraw/zinc/18/72/67/563187267.db2.gz PAZJBVFXRYEEQB-HSZRJFAPSA-N 0 0 438.568 5.427 3 0 IKAFRN CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(-c2ccc3[nH]ccc3c2)s1 ZINC000095582869 563188141 /nfs/dbraw/zinc/18/81/41/563188141.db2.gz UIFXKJMLFGJERK-SANMLTNESA-N 0 0 435.552 6.692 1 0 IKAFRN CC(=O)c1ccc(-c2ccc([C@@H]3N(C)c4ccccc4C(=O)N3c3ccccc3)s2)cc1 ZINC000095583712 563188405 /nfs/dbraw/zinc/18/84/05/563188405.db2.gz WKDXTEHCWKYCJF-AREMUKBSSA-N 0 0 438.552 6.413 1 0 IKAFRN Cc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Oc2ccccc2)s1 ZINC000095584789 563188632 /nfs/dbraw/zinc/18/86/32/563188632.db2.gz IXPIVIATQNUJPE-RUZDIDTESA-N 0 0 426.541 6.644 1 0 IKAFRN Cc1ccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Oc2ccccc2)s1 ZINC000095584790 563188637 /nfs/dbraw/zinc/18/86/37/563188637.db2.gz IXPIVIATQNUJPE-VWLOTQADSA-N 0 0 426.541 6.644 1 0 IKAFRN Cc1ccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2OCc2ccccc2)s1 ZINC000095585275 563188839 /nfs/dbraw/zinc/18/88/39/563188839.db2.gz NSPIBXUSIGAQLR-SANMLTNESA-N 0 0 440.568 6.431 1 0 IKAFRN Cc1nn(-c2cc(Cl)ccc2C)c2c1[C@@H]1c3cc4ccccc4nc3SC[C@@H]1CO2 ZINC000095586989 563189384 /nfs/dbraw/zinc/18/93/84/563189384.db2.gz OABMXZQINUAJJC-AOMKIAJQSA-N 0 0 433.964 5.937 1 0 IKAFRN CC(C)c1ccc(Nc2nc(NC(=O)C(C)(C)C)nc3[nH]c4cccc(Cl)c4c32)cc1 ZINC000095587151 563189391 /nfs/dbraw/zinc/18/93/91/563189391.db2.gz OWTAPYYEOHRLCY-UHFFFAOYSA-N 0 0 435.959 6.616 1 0 IKAFRN Oc1ccc(CC2=C(c3cc(O)cc(O)c3)[C@H](c3ccccc3)c3c2cc(O)cc3O)cc1 ZINC000095589989 563189811 /nfs/dbraw/zinc/18/98/11/563189811.db2.gz BRSPDPNHIOSCIX-MHZLTWQESA-N 0 0 438.479 5.514 1 0 IKAFRN CNc1ncnc(N)c1N(C=O)C/C=C(\C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]12 ZINC000095590247 563189948 /nfs/dbraw/zinc/18/99/48/563189948.db2.gz SGKIRYPVJGUSPZ-FGTPADRVSA-N 0 0 439.648 5.589 1 0 IKAFRN c1nn(-c2ccccc2)cc1CN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1 ZINC000095590290 563189971 /nfs/dbraw/zinc/18/99/71/563189971.db2.gz VVPCRKVUSARVSE-UHFFFAOYSA-N 0 0 448.614 5.078 1 0 IKAFRN COc1ccc([C@H]2CC(/C=C/C3=C(C)CCCC3(C)C)=NN2c2ccccc2)cc1OC ZINC000095590603 563190081 /nfs/dbraw/zinc/19/00/81/563190081.db2.gz KEWZAVILPUNPLX-LECGRMGRSA-N 0 0 430.592 7.094 1 0 IKAFRN Oc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1ccnc(NC2CCCCC2)n1 ZINC000095591766 563190370 /nfs/dbraw/zinc/19/03/70/563190370.db2.gz QMIXCBREDNAFJZ-UHFFFAOYSA-N 0 0 435.531 6.086 1 0 IKAFRN CC(=O)Oc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095593455 563190727 /nfs/dbraw/zinc/19/07/27/563190727.db2.gz SZERUUDEGZNTMV-UHFFFAOYSA-N 0 0 425.712 5.555 1 0 IKAFRN COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(OC)c2)cc1 ZINC000095593630 563190754 /nfs/dbraw/zinc/19/07/54/563190754.db2.gz DDXACRYHVKLYSQ-JXMROGBWSA-N 0 0 436.504 5.576 1 0 IKAFRN C[C@@H]1C[C@@H](C)CN(C(=O)C[C@@H](c2ccc3c(c2)OCO3)c2c(O)ccc3ccccc32)C1 ZINC000095594220 563190960 /nfs/dbraw/zinc/19/09/60/563190960.db2.gz GHIZAPNFTRDBKZ-HMFYCAOWSA-N 0 0 431.532 5.301 1 0 IKAFRN COc1cc(Sc2c3ccccc3[nH]c2-c2ccc3ccccc3c2)cc(OC)c1OC ZINC000095594477 563191013 /nfs/dbraw/zinc/19/10/13/563191013.db2.gz HBUHZESYIUAVTQ-UHFFFAOYSA-N 0 0 441.552 7.165 1 0 IKAFRN CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000095594546 563191037 /nfs/dbraw/zinc/19/10/37/563191037.db2.gz VTFQOGKSOUWGKE-QFIPXVFZSA-N 0 0 432.568 5.010 1 0 IKAFRN Brc1ccc(OCc2nnc(SC3CCCC3)n2-c2ccccc2)cc1 ZINC000095595182 563191284 /nfs/dbraw/zinc/19/12/84/563191284.db2.gz URYXHROEZHMALB-UHFFFAOYSA-N 0 0 430.371 5.644 1 0 IKAFRN CCCCn1c2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2c2ccnc(C)c21 ZINC000095595803 563191371 /nfs/dbraw/zinc/19/13/71/563191371.db2.gz OPNRZLLMGYBKAB-UHFFFAOYSA-N 0 0 434.408 6.573 1 0 IKAFRN Clc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000095595774 563191375 /nfs/dbraw/zinc/19/13/75/563191375.db2.gz HRCMMCKHIBKIGN-RDGATRHJSA-N 0 0 441.987 6.992 1 0 IKAFRN Cc1nccc2c3ccccc3n(CCCCCn3c4ccccc4c4ccnc(C)c43)c21 ZINC000095597651 563191985 /nfs/dbraw/zinc/19/19/85/563191985.db2.gz URNGBWOTWKUKPD-UHFFFAOYSA-N 0 0 432.571 7.180 1 0 IKAFRN CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)CC(F)(F)F)c1ccc(C(C)(C)C)cc1 ZINC000095597773 563191993 /nfs/dbraw/zinc/19/19/93/563191993.db2.gz QVKXWJZYTPNFRA-FQEVSTJZSA-N 0 0 449.517 5.321 1 0 IKAFRN Cc1ccc(N2CCN([C@@H](CCc3ccccc3)C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000095598822 563192233 /nfs/dbraw/zinc/19/22/33/563192233.db2.gz ACCXHLAPXDCMEO-MHZLTWQESA-N 0 0 441.619 5.374 3 0 IKAFRN Cc1ccc(Cc2c(-c3cccc(Cl)c3)nc3c(C)cc(Br)cn23)cc1 ZINC000095599373 563192452 /nfs/dbraw/zinc/19/24/52/563192452.db2.gz LMOWAEDWAINXNI-UHFFFAOYSA-N 0 0 425.757 6.625 3 0 IKAFRN CCOC(=O)[C@]12Cc3ccc4ccccc4c3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12 ZINC000095600312 563192571 /nfs/dbraw/zinc/19/25/71/563192571.db2.gz QQHBYTLNTVQEAL-OFSOJUDTSA-N 0 0 447.534 5.594 3 0 IKAFRN COc1ccc([C@@H](C(=O)NCc2ccccc2)n2c3ccccc3nc2-c2ccncc2)cc1 ZINC000095600416 563192594 /nfs/dbraw/zinc/19/25/94/563192594.db2.gz QPEGRVGZJSHGAP-SANMLTNESA-N 0 0 448.526 5.013 3 0 IKAFRN Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc21)N(C)Cc1ccccc1 ZINC000095600922 563192649 /nfs/dbraw/zinc/19/26/49/563192649.db2.gz PESPCUGPWGZMLC-AREMUKBSSA-N 0 0 434.547 5.049 3 0 IKAFRN O=C1CCC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1 ZINC000095601061 563192735 /nfs/dbraw/zinc/19/27/35/563192735.db2.gz IMIUEPWPBOREDD-FQEVSTJZSA-N 0 0 445.403 5.479 1 0 IKAFRN O=C([C@@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1cccnc1 ZINC000095601077 563192748 /nfs/dbraw/zinc/19/27/48/563192748.db2.gz AVVFFRHSJVMZKQ-YADHBBJMSA-N 0 0 443.444 5.756 1 0 IKAFRN O=C([C@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1cccnc1 ZINC000095601080 563192750 /nfs/dbraw/zinc/19/27/50/563192750.db2.gz AVVFFRHSJVMZKQ-FCHUYYIVSA-N 0 0 443.444 5.756 1 0 IKAFRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000095601428 563192818 /nfs/dbraw/zinc/19/28/18/563192818.db2.gz HRXGXBGJVNUGSX-LBPRGKRZSA-N 0 0 428.275 5.603 1 0 IKAFRN COC(=O)c1ccc(-c2ccc(CSc3nc(C(C)C)nc4ccccc43)cc2)cc1 ZINC000095601803 563192935 /nfs/dbraw/zinc/19/29/35/563192935.db2.gz YZFOAESJNOCSMN-UHFFFAOYSA-N 0 0 428.557 6.499 1 0 IKAFRN Cc1ccc(C2=C[C@H](c3c4ccccc4[nH]c3-c3ccccc3)c3c(N)nc(=O)[nH]c3O2)cc1 ZINC000095602495 563193213 /nfs/dbraw/zinc/19/32/13/563193213.db2.gz RXRKMCXPGQHDLD-HXUWFJFHSA-N 0 0 446.510 5.374 1 0 IKAFRN O=C([C@@H](Nc1ccccc1F)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000095602898 563193294 /nfs/dbraw/zinc/19/32/94/563193294.db2.gz HDFIXHABRALQGY-PKTZIBPZSA-N 0 0 442.456 6.361 1 0 IKAFRN O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000095602830 563193309 /nfs/dbraw/zinc/19/33/09/563193309.db2.gz DIDOHHMZJZGAQO-YBEGLDIGSA-N 0 0 445.110 5.964 1 0 IKAFRN O=C([C@H](Nc1ccccc1F)c1cc2ccccc2s1)N1CCC[C@@H]1c1ccccn1 ZINC000095603252 563193385 /nfs/dbraw/zinc/19/33/85/563193385.db2.gz BSONHOQFIYHFJW-ZJSXRUAMSA-N 0 0 431.536 5.952 1 0 IKAFRN O=C([C@@H](Nc1ccccc1F)c1cc2ccccc2s1)N1CCC[C@@H]1c1ccccn1 ZINC000095603251 563193388 /nfs/dbraw/zinc/19/33/88/563193388.db2.gz BSONHOQFIYHFJW-QPPBQGQZSA-N 0 0 431.536 5.952 1 0 IKAFRN O=C([C@@H](Nc1ccccc1F)c1ccc2c(c1)CCO2)N1CCC[C@H]1c1ccccc1F ZINC000095603895 563193546 /nfs/dbraw/zinc/19/35/46/563193546.db2.gz ZBKVVXBIRJNYOS-ZCYQVOJMSA-N 0 0 434.486 5.417 1 0 IKAFRN C[C@H](Oc1c(Cl)cccc1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000095604385 563193727 /nfs/dbraw/zinc/19/37/27/563193727.db2.gz KZGJTHBUENTSJX-LBPRGKRZSA-N 0 0 428.275 5.603 1 0 IKAFRN CC[C@H](C(=O)NC(C)(C)C)n1c2ccccc2nc1C(c1ccccc1)c1ccccc1 ZINC000095604919 563193904 /nfs/dbraw/zinc/19/39/04/563193904.db2.gz VHFDKMLBWZHFAV-HSZRJFAPSA-N 0 0 425.576 6.082 3 0 IKAFRN O=C([C@@H](Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccccc1F ZINC000095605536 563193965 /nfs/dbraw/zinc/19/39/65/563193965.db2.gz BQIBFWUVGIECIX-PKTZIBPZSA-N 0 0 442.456 6.361 1 0 IKAFRN COc1ccccc1C(=O)Nc1cccc(-c2nc3ncnc(Nc4ccccc4)c3[nH]2)c1 ZINC000095605564 563194060 /nfs/dbraw/zinc/19/40/60/563194060.db2.gz HPCDJEHGNZHODM-UHFFFAOYSA-N 0 0 436.475 5.024 1 0 IKAFRN Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3)nc(N[C@@H](C)c3ccccc3)c12 ZINC000095607530 563194155 /nfs/dbraw/zinc/19/41/55/563194155.db2.gz SBUKOIGPSJXGBL-JTHBVZDNSA-N 0 0 446.598 7.498 1 0 IKAFRN CNc1cc(-c2cccnc2Oc2ccc(Nc3nc4c(ccc(F)c4F)[nH]3)cc2)ccn1 ZINC000095921286 563195055 /nfs/dbraw/zinc/19/50/55/563195055.db2.gz WUBLYECGKVDFTH-UHFFFAOYSA-N 0 0 444.445 5.876 1 0 in-vitro IKAFRN Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4OC(F)(F)F)cc3)c12 ZINC000096168233 563195223 /nfs/dbraw/zinc/19/52/23/563195223.db2.gz NCMWSKYYDRIVSV-UHFFFAOYSA-N 0 0 440.425 5.937 1 0 IKAFRN O=C1N(Cc2ccc3ccccc3c2)CCCC12CCN(c1cnc3ccccc3n1)CC2 ZINC000096173045 563195703 /nfs/dbraw/zinc/19/57/03/563195703.db2.gz RGPJPIXAOXPJFM-UHFFFAOYSA-N 0 0 436.559 5.192 1 0 IKAFRN COc1ccccc1[C@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177087 563196334 /nfs/dbraw/zinc/19/63/34/563196334.db2.gz VBMQGLDMEBMZSP-DEOSSOPVSA-N 0 0 429.545 6.020 1 0 IKAFRN COc1cc(F)ccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177067 563196365 /nfs/dbraw/zinc/19/63/65/563196365.db2.gz LBRFJCIIPJRSQN-QFIPXVFZSA-N 0 0 446.482 5.260 1 0 IKAFRN COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccoc2)nc1 ZINC000096177260 563196422 /nfs/dbraw/zinc/19/64/22/563196422.db2.gz DNPNEEZHBAHQJD-JOCHJYFZSA-N 0 0 428.492 5.121 1 0 IKAFRN COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ncco2)cc1 ZINC000096177216 563196434 /nfs/dbraw/zinc/19/64/34/563196434.db2.gz LWHAQVIKMODEMM-NRFANRHFSA-N 0 0 428.492 5.121 1 0 IKAFRN COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177212 563196448 /nfs/dbraw/zinc/19/64/48/563196448.db2.gz IJIRNLYMFCQLQL-QHCPKHFHSA-N 0 0 443.572 6.194 1 0 IKAFRN COc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(Br)cc1 ZINC000096177219 563196452 /nfs/dbraw/zinc/19/64/52/563196452.db2.gz SFDLZQOWHIXMER-IBGZPJMESA-N 0 0 440.341 5.228 1 0 IKAFRN CN(Cc1ccc2ccccc2c1)C(=O)n1nnc(Cc2ccc(-c3ccccc3)cc2)n1 ZINC000096258197 563196502 /nfs/dbraw/zinc/19/65/02/563196502.db2.gz UNKQTJPPVOTIGY-UHFFFAOYSA-N 0 0 433.515 5.184 1 0 IKAFRN Nc1cc2ccccc2cc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1 ZINC000096273689 563196991 /nfs/dbraw/zinc/19/69/91/563196991.db2.gz NPMWQFIEKSOOIB-UHFFFAOYSA-N 0 0 446.514 5.138 1 0 IKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(CO)c(C)c2O1 ZINC000096906239 563197595 /nfs/dbraw/zinc/19/75/95/563197595.db2.gz SJFNFAAMHNMUND-XYLLPWDYSA-N 0 0 426.641 7.476 1 0 IKAFRN O=C(Nc1cccc2cccnc21)c1ccc(N2C(=O)CC[C@H]2c2ccccc2F)cc1 ZINC000096909098 563197641 /nfs/dbraw/zinc/19/76/41/563197641.db2.gz ZYBZOPYPMUQROP-QHCPKHFHSA-N 0 0 425.463 5.494 1 0 IKAFRN O=C(Nc1cccc2cccnc21)c1ccc(N2C(=O)CC[C@H]2c2cccc(F)c2)cc1 ZINC000096909100 563197683 /nfs/dbraw/zinc/19/76/83/563197683.db2.gz ZMOVZZCVGZWLQD-QHCPKHFHSA-N 0 0 425.463 5.494 1 0 IKAFRN CN(C(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000096911640 563197832 /nfs/dbraw/zinc/19/78/32/563197832.db2.gz NGWIFPSXBHUWBP-UHFFFAOYSA-N 0 0 434.499 5.481 1 0 IKAFRN CC(C)(C)C(=O)Nc1nc2[nH]c3ccccc3c2c(Nc2cccc(Br)c2)n1 ZINC000096924007 563197981 /nfs/dbraw/zinc/19/79/81/563197981.db2.gz WJAAOOUDLWEHDC-UHFFFAOYSA-N 0 0 438.329 5.602 1 0 IKAFRN COc1ccccc1-c1nc2ccc(-c3ccsc3)nn2c1-c1cccc(-c2ccco2)c1 ZINC000096927428 563198116 /nfs/dbraw/zinc/19/81/16/563198116.db2.gz FIUXGCVFMUNYBG-UHFFFAOYSA-N 0 0 449.535 7.060 1 0 IKAFRN Fc1ccc(-c2nc3ccc(N4CCOCC4)cn3c2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000096927590 563198168 /nfs/dbraw/zinc/19/81/68/563198168.db2.gz DBRKDIVTVVPHJW-UHFFFAOYSA-N 0 0 449.529 6.311 1 0 IKAFRN Fc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000096927588 563198179 /nfs/dbraw/zinc/19/81/79/563198179.db2.gz ZJOFFWKXQMLZPC-UHFFFAOYSA-N 0 0 440.521 8.141 1 0 IKAFRN CC(C)=CCC/C(C)=C\C=C1/OC(=O)C(c2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000096929023 563198454 /nfs/dbraw/zinc/19/84/54/563198454.db2.gz ASGPIGFSHWUKJO-ZAILDJOHSA-N 0 0 448.584 6.134 1 0 IKAFRN CCN1c2ccc(C(F)(F)F)cc2N(c2ccccc2)C(=O)N(c2ccc(C)cc2)C1=O ZINC000096928725 563198477 /nfs/dbraw/zinc/19/84/77/563198477.db2.gz FRZGEZNFPGNDHS-UHFFFAOYSA-N 0 0 439.437 6.738 1 0 IKAFRN CCCCCCn1cc(COc2ccc(-c3nc4c(ccc5ccccc45)o3)cc2)nn1 ZINC000096929827 563198624 /nfs/dbraw/zinc/19/86/24/563198624.db2.gz RPHDMMWFPSUKGV-UHFFFAOYSA-N 0 0 426.520 6.399 1 0 IKAFRN O=C1/C(=C\c2ccc(Cl)cc2)SC2(CCCCC2)N1c1ccc(Br)cc1 ZINC000096932565 563198918 /nfs/dbraw/zinc/19/89/18/563198918.db2.gz RFUYOGYUPDMBHX-XMHGGMMESA-N 0 0 448.813 6.884 1 0 IKAFRN S=c1[nH]c(-c2ccc(Cl)cc2)nn1CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000096934127 563199232 /nfs/dbraw/zinc/19/92/32/563199232.db2.gz JQVDXLWXJFLHEV-UHFFFAOYSA-N 0 0 448.423 5.127 1 0 IKAFRN Clc1cccc(Nc2ncnc3ccc(NCc4cccc(Br)n4)cc32)c1 ZINC000096934225 563199315 /nfs/dbraw/zinc/19/93/15/563199315.db2.gz XHUZJXRMBAZZTJ-UHFFFAOYSA-N 0 0 440.732 5.796 1 0 IKAFRN Cc1cc2oc(-c3ccc(-c4ccccc4)cc3)c(Br)c(=O)c2cc1Cl ZINC000096937339 563199558 /nfs/dbraw/zinc/19/95/58/563199558.db2.gz IXPWXZBFUKHAFC-UHFFFAOYSA-N 0 0 425.709 6.851 1 0 IKAFRN Cc1ccc(NC(=S)NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000096937809 563199640 /nfs/dbraw/zinc/19/96/40/563199640.db2.gz GUWIPPRZYFNPFL-UHFFFAOYSA-N 0 0 426.545 5.283 1 0 IKAFRN COc1ccc([C@@H]2SCCC(=O)N2CCCNc2ccnc3cc(Cl)ccc32)cc1 ZINC000098082203 563200459 /nfs/dbraw/zinc/20/04/59/563200459.db2.gz KXDQEOUBPORBEA-QHCPKHFHSA-N 0 0 441.984 5.363 1 0 IKAFRN O=C1/C(=C\c2c(Cl)cccc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000098082280 563200586 /nfs/dbraw/zinc/20/05/86/563200586.db2.gz UXBLLQOGCLYYKE-QBFSEMIESA-N 0 0 435.137 7.519 1 0 IKAFRN O=C(CCc1c[nH]c2ccc(Cl)cc12)NCc1c[nH]c2ccc(OC(F)(F)F)cc12 ZINC000098082617 563200616 /nfs/dbraw/zinc/20/06/16/563200616.db2.gz KEASJTQEEIHLFM-UHFFFAOYSA-N 0 0 435.833 5.450 1 0 IKAFRN COc1ccc([C@@]2(O)/C(=C/c3ccccc3)CCC[C@@H]2CN(C)c2ccc(C)cc2)cc1 ZINC000098082827 563200678 /nfs/dbraw/zinc/20/06/78/563200678.db2.gz PPBQVLVBXDUOPR-FWUDABMPSA-N 0 0 427.588 6.211 1 0 IKAFRN Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4n[nH]c(=S)n4C=N[C@@H]32)cc1 ZINC000098082899 563200728 /nfs/dbraw/zinc/20/07/28/563200728.db2.gz OJXFVBXACVEKKL-LADGPHEKSA-N 0 0 435.556 5.638 1 0 IKAFRN Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4n[nH]c(=S)n4C=N[C@H]32)cc1 ZINC000098082900 563200734 /nfs/dbraw/zinc/20/07/34/563200734.db2.gz OJXFVBXACVEKKL-UPVQGACJSA-N 0 0 435.556 5.638 1 0 IKAFRN CC1(C)C=C[C@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000014617182 571716338 /nfs/dbraw/zinc/71/63/38/571716338.db2.gz VNGUCOGHCJHFID-RQHGGGQBSA-N 0 0 440.712 6.917 1 0 endogenous,in-man IKAFRN CC1=CC[C@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C ZINC000014720190 571721486 /nfs/dbraw/zinc/72/14/86/571721486.db2.gz NGFFRJBGMSPDMS-ONQQDCLKSA-N 0 0 426.729 8.025 1 0 endogenous,in-man IKAFRN CC1(C)CC[C@@]2(CO)CC=C3[C@@](C)(CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@@H]2C1 ZINC000014720317 571722064 /nfs/dbraw/zinc/72/20/64/571722064.db2.gz RJAKLUPHSBOQNU-IEUNZIDYSA-N 0 0 442.728 7.141 1 0 endogenous,in-man IKAFRN CC1(C)CC[C@@]2(O)C(=O)C[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000015105347 571730763 /nfs/dbraw/zinc/73/07/63/571730763.db2.gz MIXYQNXUKFPGRJ-QOINQYCESA-N 0 0 440.668 6.281 1 0 endogenous,in-man IKAFRN CC1(C)CC[C@@]2(O)C(=O)C[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000015105343 571730781 /nfs/dbraw/zinc/73/07/81/571730781.db2.gz DNIUVLCJWDCWGK-CBNCWLOLSA-N 0 0 442.684 6.073 1 0 endogenous,in-man IKAFRN Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CO)CC2 ZINC000085588889 571783793 /nfs/dbraw/zinc/78/37/93/571783793.db2.gz QNBPVJMQPAQXML-BUUPBASBSA-N 0 0 432.689 7.504 1 0 endogenous,in-man IKAFRN CC1(C)CC[C@@]2(C)C(=C3CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)C[C@H]2O)C1 ZINC000095619222 571797902 /nfs/dbraw/zinc/79/79/02/571797902.db2.gz RTLXJEJRLWILSU-LXWOQGSCSA-N 0 0 442.728 7.284 1 0 endogenous,in-man IKAFRN CC1(C)CC[C@@]2(C)C(=C3CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H]2O)C1 ZINC000095619220 571797963 /nfs/dbraw/zinc/79/79/63/571797963.db2.gz RTLXJEJRLWILSU-YOGFRIKOSA-N 0 0 442.728 7.284 1 0 endogenous,in-man IKAFRN C[C@@H]1CC[C@]23CO[C@@]4(C=C[C@H]5[C@@](C)(CC[C@H]6C(C)(C)C(=O)CC[C@]56C)[C@@]4(C)CC2)[C@@H]3[C@@H]1C ZINC000100778075 571826503 /nfs/dbraw/zinc/82/65/03/571826503.db2.gz PKMBOLUTQNQQBP-KQZYGANDSA-N 0 0 438.696 7.222 1 0 endogenous,in-man IKAFRN CC[C@H](C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118936776 571844736 /nfs/dbraw/zinc/84/47/36/571844736.db2.gz NZSAHCYFUVNLPX-VSFBLRGMSA-N 0 0 446.716 5.966 1 0 endogenous,in-man IKAFRN CC[C@@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118936880 571845519 /nfs/dbraw/zinc/84/55/19/571845519.db2.gz FJQGCLCMDPGZHC-XDYFQXEISA-N 0 0 426.685 7.268 1 0 endogenous,in-man IKAFRN CC/C=C(/CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118937009 571846110 /nfs/dbraw/zinc/84/61/10/571846110.db2.gz LVMOSMRIAUDGQC-SGFQFEBLSA-N 0 0 426.729 8.335 1 0 endogenous,in-man IKAFRN CC(C)[C@H](C)[C@@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118937377 571849315 /nfs/dbraw/zinc/84/93/15/571849315.db2.gz SVBMASFUJDIDJC-PLBCUOKDSA-N 0 0 446.672 5.043 1 0 endogenous,in-man IKAFRN CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]5[C@H](C)[C@H](C)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]2C1(C)C ZINC000013375699 574413214 /nfs/dbraw/zinc/41/32/14/574413214.db2.gz HMTYXVQACLXYEQ-DQOIXLKNSA-N 0 0 440.756 8.679 1 0 endogenous,in-man IKAFRN CC(C)=CCC[C@H](C)[C@@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)[C@@H]1CC3 ZINC000040165493 574414668 /nfs/dbraw/zinc/41/46/68/574414668.db2.gz LEUVIESGHNFBEK-LNZSJIOHSA-N 0 0 428.701 7.061 1 0 endogenous,in-man IKAFRN